data_10169_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10169
_Entry.PDB_ID 2EN8
_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 9 9 GLY CA C 9 45.281 45.882 -0.601 1
1 2 . 1 1 1 A 9 9 GLY HA3 H 9 3.935 4.184 -0.249 1
1 3 . 1 1 1 A 9 9 GLY C C 9 174.135 171.805 2.330 1
1 4 . 1 1 1 A 9 9 GLY HA2 H 9 3.935 4.181 -0.246 1
1 5 . 1 1 1 A 10 10 GLU N N 10 120.713 121.414 -0.701 1
1 6 . 1 1 1 A 10 10 GLU H H 10 8.248 8.373 -0.125 1
1 7 . 1 1 1 A 10 10 GLU CA C 10 56.650 55.600 1.050 1
1 8 . 1 1 1 A 10 10 GLU HA H 10 4.221 4.793 -0.572 1
1 9 . 1 1 1 A 10 10 GLU CB C 10 30.255 33.563 -3.308 1
1 13 . 1 1 1 A 10 10 GLU C C 10 176.461 175.988 0.473 1
1 16 . 1 1 1 A 11 11 LYS N N 11 122.447 125.363 -2.916 1
1 17 . 1 1 1 A 11 11 LYS H H 11 8.369 8.784 -0.415 1
1 18 . 1 1 1 A 11 11 LYS CA C 11 55.860 58.036 -2.176 1
1 19 . 1 1 1 A 11 11 LYS HA H 11 4.251 4.135 0.116 1
1 20 . 1 1 1 A 11 11 LYS CB C 11 32.853 32.734 0.119 1
1 28 . 1 1 1 A 11 11 LYS C C 11 175.765 175.762 0.003 1
1 33 . 1 1 1 A 12 12 SER N N 12 115.851 115.088 0.763 1
1 34 . 1 1 1 A 12 12 SER H H 12 7.899 7.750 0.149 1
1 35 . 1 1 1 A 12 12 SER CA C 12 58.089 56.388 1.701 1
1 36 . 1 1 1 A 12 12 SER HA H 12 4.334 4.798 -0.464 1
1 37 . 1 1 1 A 12 12 SER CB C 12 64.118 65.323 -1.205 1
1 39 . 1 1 1 A 12 12 SER C C 12 173.004 173.577 -0.573 1
1 41 . 1 1 1 A 13 13 HIS N N 13 122.321 124.489 -2.168 1
1 42 . 1 1 1 A 13 13 HIS H H 13 8.450 8.309 0.141 1
1 43 . 1 1 1 A 13 13 HIS CA C 13 55.542 57.324 -1.782 1
1 44 . 1 1 1 A 13 13 HIS HA H 13 4.711 4.701 0.010 1
1 45 . 1 1 1 A 13 13 HIS CB C 13 31.777 30.332 1.445 1
1 51 . 1 1 1 A 13 13 HIS C C 13 174.797 175.484 -0.687 1
1 53 . 1 1 1 A 14 14 THR N N 14 120.690 118.454 2.236 1
1 54 . 1 1 1 A 14 14 THR H H 14 8.703 9.072 -0.369 1
1 55 . 1 1 1 A 14 14 THR CA C 14 61.874 61.264 0.610 1
1 56 . 1 1 1 A 14 14 THR HA H 14 4.977 4.994 -0.017 1
1 57 . 1 1 1 A 14 14 THR CB C 14 71.173 71.287 -0.114 1
1 63 . 1 1 1 A 14 14 THR C C 14 173.574 173.575 -0.001 1
1 64 . 1 1 1 A 15 15 CYS N N 15 127.944 125.339 2.605 1
1 65 . 1 1 1 A 15 15 CYS H H 15 9.190 8.679 0.511 1
1 66 . 1 1 1 A 15 15 CYS CA C 15 59.578 59.554 0.024 1
1 67 . 1 1 1 A 15 15 CYS HA H 15 4.496 4.640 -0.144 1
1 68 . 1 1 1 A 15 15 CYS CB C 15 29.551 28.564 0.987 1
1 70 . 1 1 1 A 15 15 CYS C C 15 176.421 175.920 0.501 1
1 72 . 1 1 1 A 16 16 ASP N N 16 132.096 128.530 3.566 1
1 73 . 1 1 1 A 16 16 ASP H H 16 9.243 9.016 0.227 1
1 74 . 1 1 1 A 16 16 ASP CA C 16 56.482 56.210 0.272 1
1 75 . 1 1 1 A 16 16 ASP HA H 16 4.397 4.540 -0.143 1
1 76 . 1 1 1 A 16 16 ASP CB C 16 40.687 40.412 0.275 1
1 78 . 1 1 1 A 16 16 ASP C C 16 176.308 178.130 -1.822 1
1 80 . 1 1 1 A 17 17 GLU N N 17 120.252 118.930 1.322 1
1 81 . 1 1 1 A 17 17 GLU H H 17 8.524 7.880 0.644 1
1 82 . 1 1 1 A 17 17 GLU CA C 17 58.336 58.870 -0.534 1
1 83 . 1 1 1 A 17 17 GLU HA H 17 4.181 3.966 0.215 1
1 84 . 1 1 1 A 17 17 GLU CB C 17 29.651 29.211 0.440 1
1 88 . 1 1 1 A 17 17 GLU C C 17 177.189 178.057 -0.868 1
1 91 . 1 1 1 A 18 18 CYS N N 18 114.371 114.959 -0.588 1
1 92 . 1 1 1 A 18 18 CYS H H 18 7.834 7.855 -0.021 1
1 93 . 1 1 1 A 18 18 CYS CA C 18 58.344 59.583 -1.239 1
1 94 . 1 1 1 A 18 18 CYS HA H 18 5.146 4.795 0.351 1
1 95 . 1 1 1 A 18 18 CYS CB C 18 32.565 30.480 2.085 1
1 97 . 1 1 1 A 18 18 CYS C C 18 176.321 175.727 0.594 1
1 99 . 1 1 1 A 19 19 GLY N N 19 113.718 110.124 3.594 1
1 100 . 1 1 1 A 19 19 GLY H H 19 8.339 8.150 0.189 1
1 101 . 1 1 1 A 19 19 GLY CA C 19 46.154 45.173 0.981 1
1 102 . 1 1 1 A 19 19 GLY HA3 H 19 4.167 4.067 0.100 1
1 103 . 1 1 1 A 19 19 GLY C C 19 173.777 174.655 -0.878 1
1 104 . 1 1 1 A 19 19 GLY HA2 H 19 3.733 4.060 -0.327 1
1 105 . 1 1 1 A 20 20 LYS N N 20 122.244 120.040 2.204 1
1 106 . 1 1 1 A 20 20 LYS H H 20 7.876 7.806 0.070 1
1 107 . 1 1 1 A 20 20 LYS CA C 20 58.108 55.894 2.214 1
1 108 . 1 1 1 A 20 20 LYS HA H 20 3.952 4.348 -0.396 1
1 109 . 1 1 1 A 20 20 LYS CB C 20 33.739 34.214 -0.475 1
1 117 . 1 1 1 A 20 20 LYS C C 20 174.125 175.015 -0.890 1
1 122 . 1 1 1 A 21 21 ASN N N 21 118.989 118.639 0.350 1
1 123 . 1 1 1 A 21 21 ASN H H 21 7.986 8.017 -0.031 1
1 124 . 1 1 1 A 21 21 ASN CA C 21 52.255 51.511 0.744 1
1 125 . 1 1 1 A 21 21 ASN HA H 21 5.260 5.401 -0.141 1
1 126 . 1 1 1 A 21 21 ASN CB C 21 41.894 42.295 -0.401 1
1 131 . 1 1 1 A 21 21 ASN C C 21 173.974 172.933 1.041 1
1 133 . 1 1 1 A 22 22 PHE N N 22 118.357 121.632 -3.275 1
1 134 . 1 1 1 A 22 22 PHE H H 22 8.729 8.821 -0.092 1
1 135 . 1 1 1 A 22 22 PHE CA C 22 57.281 56.335 0.946 1
1 136 . 1 1 1 A 22 22 PHE HA H 22 4.599 4.743 -0.144 1
1 137 . 1 1 1 A 22 22 PHE CB C 22 43.439 41.003 2.436 1
1 149 . 1 1 1 A 22 22 PHE C C 22 175.459 175.686 -0.227 1
1 151 . 1 1 1 A 23 23 CYS CA C 23 60.735 63.308 -2.573 1
1 152 . 1 1 1 A 23 23 CYS HA H 23 4.382 4.259 0.123 1
1 153 . 1 1 1 A 23 23 CYS CB C 23 27.868 27.901 -0.033 1
1 155 . 1 1 1 A 23 23 CYS C C 23 173.938 175.216 -1.278 1
1 157 . 1 1 1 A 24 24 TYR N N 24 114.062 118.370 -4.308 1
1 158 . 1 1 1 A 24 24 TYR H H 24 7.375 7.551 -0.176 1
1 159 . 1 1 1 A 24 24 TYR CA C 24 55.792 55.993 -0.201 1
1 160 . 1 1 1 A 24 24 TYR HA H 24 5.006 4.874 0.132 1
1 161 . 1 1 1 A 24 24 TYR CB C 24 41.225 40.339 0.886 1
1 171 . 1 1 1 A 24 24 TYR C C 24 176.484 175.438 1.046 1
1 173 . 1 1 1 A 25 25 ILE N N 25 125.892 123.978 1.914 1
1 174 . 1 1 1 A 25 25 ILE H H 25 8.886 8.442 0.444 1
1 175 . 1 1 1 A 25 25 ILE CA C 25 63.625 64.232 -0.607 1
1 176 . 1 1 1 A 25 25 ILE HA H 25 3.421 3.322 0.099 1
1 177 . 1 1 1 A 25 25 ILE CB C 25 37.584 37.133 0.451 1
1 189 . 1 1 1 A 25 25 ILE C C 25 177.052 177.545 -0.493 1
1 191 . 1 1 1 A 26 26 SER N N 26 116.283 118.294 -2.011 1
1 192 . 1 1 1 A 26 26 SER H H 26 8.370 8.010 0.360 1
1 193 . 1 1 1 A 26 26 SER CA C 26 60.986 62.008 -1.022 1
1 194 . 1 1 1 A 26 26 SER HA H 26 3.982 4.022 -0.040 1
1 195 . 1 1 1 A 26 26 SER CB C 26 61.572 62.867 -1.295 1
1 197 . 1 1 1 A 26 26 SER C C 26 176.298 176.735 -0.437 1
1 199 . 1 1 1 A 27 27 ALA N N 27 123.029 123.381 -0.352 1
1 200 . 1 1 1 A 27 27 ALA H H 27 6.647 8.074 -1.427 1
1 201 . 1 1 1 A 27 27 ALA CA C 27 54.300 54.983 -0.683 1
1 202 . 1 1 1 A 27 27 ALA HA H 27 4.099 4.168 -0.069 1
1 203 . 1 1 1 A 27 27 ALA CB C 27 19.034 17.864 1.170 1
1 207 . 1 1 1 A 27 27 ALA C C 27 179.963 179.295 0.668 1
1 208 . 1 1 1 A 28 28 LEU N N 28 121.207 119.201 2.006 1
1 209 . 1 1 1 A 28 28 LEU H H 28 7.084 7.275 -0.191 1
1 210 . 1 1 1 A 28 28 LEU CA C 28 57.723 57.240 0.483 1
1 211 . 1 1 1 A 28 28 LEU HA H 28 3.008 2.595 0.413 1
1 212 . 1 1 1 A 28 28 LEU CB C 28 40.253 41.090 -0.837 1
1 224 . 1 1 1 A 28 28 LEU C C 28 177.583 178.374 -0.791 1
1 226 . 1 1 1 A 29 29 ARG N N 29 117.731 118.139 -0.408 1
1 227 . 1 1 1 A 29 29 ARG H H 29 8.183 8.041 0.142 1
1 228 . 1 1 1 A 29 29 ARG CA C 29 58.953 59.712 -0.759 1
1 229 . 1 1 1 A 29 29 ARG HA H 29 4.100 3.903 0.197 1
1 230 . 1 1 1 A 29 29 ARG CB C 29 29.440 29.706 -0.266 1
1 236 . 1 1 1 A 29 29 ARG C C 29 179.718 178.709 1.009 1
1 240 . 1 1 1 A 30 30 ILE N N 30 119.059 120.194 -1.135 1
1 241 . 1 1 1 A 30 30 ILE H H 30 7.480 7.595 -0.115 1
1 242 . 1 1 1 A 30 30 ILE CA C 30 64.651 64.984 -0.333 1
1 243 . 1 1 1 A 30 30 ILE HA H 30 3.612 3.669 -0.057 1
1 244 . 1 1 1 A 30 30 ILE CB C 30 38.266 37.543 0.723 1
1 256 . 1 1 1 A 30 30 ILE C C 30 178.844 178.276 0.568 1
1 258 . 1 1 1 A 31 31 HIS N N 31 120.618 120.060 0.558 1
1 259 . 1 1 1 A 31 31 HIS H H 31 7.565 7.993 -0.428 1
1 260 . 1 1 1 A 31 31 HIS CA C 31 59.193 59.928 -0.735 1
1 261 . 1 1 1 A 31 31 HIS HA H 31 4.187 4.169 0.018 1
1 262 . 1 1 1 A 31 31 HIS CB C 31 28.263 29.822 -1.559 1
1 268 . 1 1 1 A 31 31 HIS C C 31 176.323 177.607 -1.284 1
1 270 . 1 1 1 A 32 32 GLN N N 32 115.336 118.352 -3.016 1
1 271 . 1 1 1 A 32 32 GLN H H 32 8.413 8.410 0.003 1
1 272 . 1 1 1 A 32 32 GLN CA C 32 59.459 59.041 0.418 1
1 273 . 1 1 1 A 32 32 GLN HA H 32 3.578 3.854 -0.276 1
1 274 . 1 1 1 A 32 32 GLN CB C 32 28.370 28.303 0.067 1
1 281 . 1 1 1 A 32 32 GLN C C 32 177.630 178.500 -0.870 1
1 284 . 1 1 1 A 33 33 ARG N N 33 118.205 120.238 -2.033 1
1 285 . 1 1 1 A 33 33 ARG H H 33 7.230 8.055 -0.825 1
1 286 . 1 1 1 A 33 33 ARG CA C 33 58.907 58.816 0.091 1
1 287 . 1 1 1 A 33 33 ARG HA H 33 4.017 4.027 -0.010 1
1 288 . 1 1 1 A 33 33 ARG CB C 33 29.906 30.041 -0.135 1
1 294 . 1 1 1 A 33 33 ARG C C 33 178.998 178.833 0.165 1
1 298 . 1 1 1 A 34 34 VAL N N 34 116.652 116.751 -0.099 1
1 299 . 1 1 1 A 34 34 VAL H H 34 7.929 7.814 0.115 1
1 300 . 1 1 1 A 34 34 VAL CA C 34 64.172 65.311 -1.139 1
1 301 . 1 1 1 A 34 34 VAL HA H 34 3.849 3.797 0.052 1
1 302 . 1 1 1 A 34 34 VAL CB C 34 31.027 30.870 0.157 1
1 312 . 1 1 1 A 34 34 VAL C C 34 177.609 177.282 0.327 1
1 313 . 1 1 1 A 35 35 HIS N N 35 116.579 119.472 -2.893 1
1 314 . 1 1 1 A 35 35 HIS H H 35 7.002 7.902 -0.900 1
1 315 . 1 1 1 A 35 35 HIS CA C 35 54.913 58.144 -3.231 1
1 316 . 1 1 1 A 35 35 HIS HA H 35 4.799 4.394 0.405 1
1 317 . 1 1 1 A 35 35 HIS CB C 35 28.576 30.686 -2.110 1
1 323 . 1 1 1 A 35 35 HIS C C 35 175.666 175.700 -0.034 1
1 325 . 1 1 1 A 36 36 MET N N 36 118.563 117.999 0.564 1
1 326 . 1 1 1 A 36 36 MET H H 36 7.508 7.563 -0.055 1
1 327 . 1 1 1 A 36 36 MET CA C 36 56.556 57.297 -0.741 1
1 328 . 1 1 1 A 36 36 MET HA H 36 4.389 4.097 0.292 1
1 329 . 1 1 1 A 36 36 MET CB C 36 32.971 32.565 0.406 1
1 337 . 1 1 1 A 36 36 MET C C 36 176.824 176.781 0.043 1
1 340 . 1 1 1 A 37 37 GLY N N 37 108.831 112.049 -3.218 1
1 341 . 1 1 1 A 37 37 GLY H H 37 8.190 8.327 -0.137 1
1 342 . 1 1 1 A 37 37 GLY CA C 37 45.478 45.502 -0.024 1
1 343 . 1 1 1 A 37 37 GLY HA3 H 37 3.944 4.000 -0.056 1
1 344 . 1 1 1 A 37 37 GLY C C 37 174.378 175.261 -0.883 1
1 345 . 1 1 1 A 37 37 GLY HA2 H 37 3.944 3.995 -0.051 1
1 346 . 1 1 1 A 38 38 GLU N N 38 120.546 119.829 0.717 1
1 347 . 1 1 1 A 38 38 GLU H H 38 8.102 8.425 -0.323 1
1 348 . 1 1 1 A 38 38 GLU CA C 38 56.637 56.196 0.441 1
1 349 . 1 1 1 A 38 38 GLU HA H 38 4.234 4.388 -0.154 1
1 350 . 1 1 1 A 38 38 GLU CB C 38 30.266 29.158 1.108 1
1 354 . 1 1 1 A 38 38 GLU C C 38 176.786 174.678 2.108 1
1 357 . 1 1 1 A 39 39 LYS N N 39 121.499 117.826 3.673 1
1 358 . 1 1 1 A 39 39 LYS H H 39 8.275 7.583 0.692 1
1 359 . 1 1 1 A 39 39 LYS CA C 39 56.239 55.066 1.173 1
1 360 . 1 1 1 A 39 39 LYS HA H 39 4.318 4.765 -0.447 1
1 361 . 1 1 1 A 39 39 LYS CB C 39 32.798 35.827 -3.029 1
1 369 . 1 1 1 A 39 39 LYS C C 39 176.575 175.460 1.115 1
1 374 . 1 1 1 A 40 40 CYS N N 40 120.323 120.569 -0.246 1
1 375 . 1 1 1 A 40 40 CYS H H 40 8.318 8.431 -0.113 1
1 376 . 1 1 1 A 40 40 CYS CA C 40 58.407 59.271 -0.864 1
1 377 . 1 1 1 A 40 40 CYS CB C 40 28.054 29.788 -1.734 1
1 1 . 2 1 1 A 9 9 GLY CA C 9 45.281 44.865 0.416 1
1 2 . 2 1 1 A 9 9 GLY HA3 H 9 3.935 4.053 -0.118 1
1 3 . 2 1 1 A 9 9 GLY C C 9 174.135 173.275 0.860 1
1 4 . 2 1 1 A 9 9 GLY HA2 H 9 3.935 4.043 -0.108 1
1 5 . 2 1 1 A 10 10 GLU N N 10 120.713 121.134 -0.421 1
1 6 . 2 1 1 A 10 10 GLU H H 10 8.248 8.437 -0.189 1
1 7 . 2 1 1 A 10 10 GLU CA C 10 56.650 56.552 0.098 1
1 8 . 2 1 1 A 10 10 GLU HA H 10 4.221 4.210 0.011 1
1 9 . 2 1 1 A 10 10 GLU CB C 10 30.255 31.296 -1.041 1
1 13 . 2 1 1 A 10 10 GLU C C 10 176.461 177.914 -1.453 1
1 16 . 2 1 1 A 11 11 LYS N N 11 122.447 123.046 -0.599 1
1 17 . 2 1 1 A 11 11 LYS H H 11 8.369 8.663 -0.294 1
1 18 . 2 1 1 A 11 11 LYS CA C 11 55.860 57.877 -2.017 1
1 19 . 2 1 1 A 11 11 LYS HA H 11 4.251 4.152 0.099 1
1 20 . 2 1 1 A 11 11 LYS CB C 11 32.853 32.398 0.455 1
1 28 . 2 1 1 A 11 11 LYS C C 11 175.765 176.035 -0.270 1
1 33 . 2 1 1 A 12 12 SER N N 12 115.851 111.898 3.953 1
1 34 . 2 1 1 A 12 12 SER H H 12 7.899 7.596 0.303 1
1 35 . 2 1 1 A 12 12 SER CA C 12 58.089 57.359 0.730 1
1 36 . 2 1 1 A 12 12 SER HA H 12 4.334 4.552 -0.218 1
1 37 . 2 1 1 A 12 12 SER CB C 12 64.118 65.384 -1.266 1
1 39 . 2 1 1 A 12 12 SER C C 12 173.004 172.629 0.375 1
1 41 . 2 1 1 A 13 13 HIS N N 13 122.321 122.118 0.203 1
1 42 . 2 1 1 A 13 13 HIS H H 13 8.450 8.373 0.077 1
1 43 . 2 1 1 A 13 13 HIS CA C 13 55.542 56.727 -1.185 1
1 44 . 2 1 1 A 13 13 HIS HA H 13 4.711 4.776 -0.065 1
1 45 . 2 1 1 A 13 13 HIS CB C 13 31.777 29.757 2.020 1
1 51 . 2 1 1 A 13 13 HIS C C 13 174.797 175.277 -0.480 1
1 53 . 2 1 1 A 14 14 THR N N 14 120.690 118.484 2.206 1
1 54 . 2 1 1 A 14 14 THR H H 14 8.703 9.079 -0.376 1
1 55 . 2 1 1 A 14 14 THR CA C 14 61.874 61.116 0.758 1
1 56 . 2 1 1 A 14 14 THR HA H 14 4.977 5.082 -0.105 1
1 57 . 2 1 1 A 14 14 THR CB C 14 71.173 71.075 0.098 1
1 63 . 2 1 1 A 14 14 THR C C 14 173.574 173.652 -0.078 1
1 64 . 2 1 1 A 15 15 CYS N N 15 127.944 125.978 1.966 1
1 65 . 2 1 1 A 15 15 CYS H H 15 9.190 8.634 0.556 1
1 66 . 2 1 1 A 15 15 CYS CA C 15 59.578 59.900 -0.322 1
1 67 . 2 1 1 A 15 15 CYS HA H 15 4.496 4.597 -0.101 1
1 68 . 2 1 1 A 15 15 CYS CB C 15 29.551 28.704 0.847 1
1 70 . 2 1 1 A 15 15 CYS C C 15 176.421 176.111 0.310 1
1 72 . 2 1 1 A 16 16 ASP N N 16 132.096 129.481 2.615 1
1 73 . 2 1 1 A 16 16 ASP H H 16 9.243 9.240 0.003 1
1 74 . 2 1 1 A 16 16 ASP CA C 16 56.482 55.784 0.698 1
1 75 . 2 1 1 A 16 16 ASP HA H 16 4.397 4.472 -0.075 1
1 76 . 2 1 1 A 16 16 ASP CB C 16 40.687 41.031 -0.344 1
1 78 . 2 1 1 A 16 16 ASP C C 16 176.308 177.821 -1.513 1
1 80 . 2 1 1 A 17 17 GLU N N 17 120.252 118.178 2.074 1
1 81 . 2 1 1 A 17 17 GLU H H 17 8.524 7.899 0.625 1
1 82 . 2 1 1 A 17 17 GLU CA C 17 58.336 58.976 -0.640 1
1 83 . 2 1 1 A 17 17 GLU HA H 17 4.181 3.934 0.247 1
1 84 . 2 1 1 A 17 17 GLU CB C 17 29.651 29.232 0.419 1
1 88 . 2 1 1 A 17 17 GLU C C 17 177.189 178.117 -0.928 1
1 91 . 2 1 1 A 18 18 CYS N N 18 114.371 114.865 -0.494 1
1 92 . 2 1 1 A 18 18 CYS H H 18 7.834 7.885 -0.051 1
1 93 . 2 1 1 A 18 18 CYS CA C 18 58.344 59.316 -0.972 1
1 94 . 2 1 1 A 18 18 CYS HA H 18 5.146 4.791 0.355 1
1 95 . 2 1 1 A 18 18 CYS CB C 18 32.565 30.483 2.082 1
1 97 . 2 1 1 A 18 18 CYS C C 18 176.321 175.673 0.648 1
1 99 . 2 1 1 A 19 19 GLY N N 19 113.718 110.130 3.588 1
1 100 . 2 1 1 A 19 19 GLY H H 19 8.339 8.301 0.038 1
1 101 . 2 1 1 A 19 19 GLY CA C 19 46.154 45.173 0.981 1
1 102 . 2 1 1 A 19 19 GLY HA3 H 19 4.167 4.065 0.102 1
1 103 . 2 1 1 A 19 19 GLY C C 19 173.777 174.749 -0.972 1
1 104 . 2 1 1 A 19 19 GLY HA2 H 19 3.733 4.056 -0.323 1
1 105 . 2 1 1 A 20 20 LYS N N 20 122.244 120.329 1.915 1
1 106 . 2 1 1 A 20 20 LYS H H 20 7.876 7.800 0.076 1
1 107 . 2 1 1 A 20 20 LYS CA C 20 58.108 56.067 2.041 1
1 108 . 2 1 1 A 20 20 LYS HA H 20 3.952 4.267 -0.315 1
1 109 . 2 1 1 A 20 20 LYS CB C 20 33.739 34.142 -0.403 1
1 117 . 2 1 1 A 20 20 LYS C C 20 174.125 175.150 -1.025 1
1 122 . 2 1 1 A 21 21 ASN N N 21 118.989 118.500 0.489 1
1 123 . 2 1 1 A 21 21 ASN H H 21 7.986 7.894 0.092 1
1 124 . 2 1 1 A 21 21 ASN CA C 21 52.255 51.512 0.743 1
1 125 . 2 1 1 A 21 21 ASN HA H 21 5.260 5.355 -0.095 1
1 126 . 2 1 1 A 21 21 ASN CB C 21 41.894 42.277 -0.383 1
1 131 . 2 1 1 A 21 21 ASN C C 21 173.974 172.833 1.141 1
1 133 . 2 1 1 A 22 22 PHE N N 22 118.357 121.228 -2.871 1
1 134 . 2 1 1 A 22 22 PHE H H 22 8.729 9.000 -0.271 1
1 135 . 2 1 1 A 22 22 PHE CA C 22 57.281 56.412 0.869 1
1 136 . 2 1 1 A 22 22 PHE HA H 22 4.599 4.813 -0.214 1
1 137 . 2 1 1 A 22 22 PHE CB C 22 43.439 41.196 2.243 1
1 149 . 2 1 1 A 22 22 PHE C C 22 175.459 175.675 -0.216 1
1 151 . 2 1 1 A 23 23 CYS CA C 23 60.735 63.118 -2.383 1
1 152 . 2 1 1 A 23 23 CYS HA H 23 4.382 4.552 -0.170 1
1 153 . 2 1 1 A 23 23 CYS CB C 23 27.868 27.863 0.005 1
1 155 . 2 1 1 A 23 23 CYS C C 23 173.938 175.151 -1.213 1
1 157 . 2 1 1 A 24 24 TYR N N 24 114.062 118.343 -4.281 1
1 158 . 2 1 1 A 24 24 TYR H H 24 7.375 7.510 -0.135 1
1 159 . 2 1 1 A 24 24 TYR CA C 24 55.792 55.937 -0.145 1
1 160 . 2 1 1 A 24 24 TYR HA H 24 5.006 4.847 0.159 1
1 161 . 2 1 1 A 24 24 TYR CB C 24 41.225 40.386 0.839 1
1 171 . 2 1 1 A 24 24 TYR C C 24 176.484 175.506 0.978 1
1 173 . 2 1 1 A 25 25 ILE N N 25 125.892 123.921 1.971 1
1 174 . 2 1 1 A 25 25 ILE H H 25 8.886 8.332 0.554 1
1 175 . 2 1 1 A 25 25 ILE CA C 25 63.625 64.364 -0.739 1
1 176 . 2 1 1 A 25 25 ILE HA H 25 3.421 3.327 0.094 1
1 177 . 2 1 1 A 25 25 ILE CB C 25 37.584 37.418 0.166 1
1 189 . 2 1 1 A 25 25 ILE C C 25 177.052 177.544 -0.492 1
1 191 . 2 1 1 A 26 26 SER N N 26 116.283 118.618 -2.335 1
1 192 . 2 1 1 A 26 26 SER H H 26 8.370 8.023 0.347 1
1 193 . 2 1 1 A 26 26 SER CA C 26 60.986 62.090 -1.104 1
1 194 . 2 1 1 A 26 26 SER HA H 26 3.982 4.030 -0.048 1
1 195 . 2 1 1 A 26 26 SER CB C 26 61.572 62.828 -1.256 1
1 197 . 2 1 1 A 26 26 SER C C 26 176.298 176.805 -0.507 1
1 199 . 2 1 1 A 27 27 ALA N N 27 123.029 123.477 -0.448 1
1 200 . 2 1 1 A 27 27 ALA H H 27 6.647 8.031 -1.384 1
1 201 . 2 1 1 A 27 27 ALA CA C 27 54.300 54.916 -0.616 1
1 202 . 2 1 1 A 27 27 ALA HA H 27 4.099 4.178 -0.079 1
1 203 . 2 1 1 A 27 27 ALA CB C 27 19.034 17.998 1.036 1
1 207 . 2 1 1 A 27 27 ALA C C 27 179.963 179.235 0.728 1
1 208 . 2 1 1 A 28 28 LEU N N 28 121.207 119.150 2.057 1
1 209 . 2 1 1 A 28 28 LEU H H 28 7.084 7.260 -0.176 1
1 210 . 2 1 1 A 28 28 LEU CA C 28 57.723 57.008 0.715 1
1 211 . 2 1 1 A 28 28 LEU HA H 28 3.008 2.458 0.550 1
1 212 . 2 1 1 A 28 28 LEU CB C 28 40.253 41.169 -0.916 1
1 224 . 2 1 1 A 28 28 LEU C C 28 177.583 178.398 -0.815 1
1 226 . 2 1 1 A 29 29 ARG N N 29 117.731 118.205 -0.474 1
1 227 . 2 1 1 A 29 29 ARG H H 29 8.183 8.181 0.002 1
1 228 . 2 1 1 A 29 29 ARG CA C 29 58.953 59.663 -0.710 1
1 229 . 2 1 1 A 29 29 ARG HA H 29 4.100 3.941 0.159 1
1 230 . 2 1 1 A 29 29 ARG CB C 29 29.440 29.679 -0.239 1
1 236 . 2 1 1 A 29 29 ARG C C 29 179.718 178.721 0.997 1
1 240 . 2 1 1 A 30 30 ILE N N 30 119.059 120.195 -1.136 1
1 241 . 2 1 1 A 30 30 ILE H H 30 7.480 7.640 -0.160 1
1 242 . 2 1 1 A 30 30 ILE CA C 30 64.651 65.033 -0.382 1
1 243 . 2 1 1 A 30 30 ILE HA H 30 3.612 3.670 -0.058 1
1 244 . 2 1 1 A 30 30 ILE CB C 30 38.266 37.452 0.814 1
1 256 . 2 1 1 A 30 30 ILE C C 30 178.844 178.340 0.504 1
1 258 . 2 1 1 A 31 31 HIS N N 31 120.618 120.039 0.579 1
1 259 . 2 1 1 A 31 31 HIS H H 31 7.565 7.885 -0.320 1
1 260 . 2 1 1 A 31 31 HIS CA C 31 59.193 60.084 -0.891 1
1 261 . 2 1 1 A 31 31 HIS HA H 31 4.187 4.153 0.034 1
1 262 . 2 1 1 A 31 31 HIS CB C 31 28.263 29.970 -1.707 1
1 268 . 2 1 1 A 31 31 HIS C C 31 176.323 177.423 -1.100 1
1 270 . 2 1 1 A 32 32 GLN N N 32 115.336 117.840 -2.504 1
1 271 . 2 1 1 A 32 32 GLN H H 32 8.413 8.370 0.043 1
1 272 . 2 1 1 A 32 32 GLN CA C 32 59.459 58.915 0.544 1
1 273 . 2 1 1 A 32 32 GLN HA H 32 3.578 3.837 -0.259 1
1 274 . 2 1 1 A 32 32 GLN CB C 32 28.370 28.227 0.143 1
1 281 . 2 1 1 A 32 32 GLN C C 32 177.630 178.570 -0.940 1
1 284 . 2 1 1 A 33 33 ARG N N 33 118.205 120.178 -1.973 1
1 285 . 2 1 1 A 33 33 ARG H H 33 7.230 8.021 -0.791 1
1 286 . 2 1 1 A 33 33 ARG CA C 33 58.907 58.944 -0.037 1
1 287 . 2 1 1 A 33 33 ARG HA H 33 4.017 3.989 0.028 1
1 288 . 2 1 1 A 33 33 ARG CB C 33 29.906 29.912 -0.006 1
1 294 . 2 1 1 A 33 33 ARG C C 33 178.998 178.877 0.121 1
1 298 . 2 1 1 A 34 34 VAL N N 34 116.652 116.864 -0.212 1
1 299 . 2 1 1 A 34 34 VAL H H 34 7.929 7.881 0.048 1
1 300 . 2 1 1 A 34 34 VAL CA C 34 64.172 65.326 -1.154 1
1 301 . 2 1 1 A 34 34 VAL HA H 34 3.849 3.668 0.181 1
1 302 . 2 1 1 A 34 34 VAL CB C 34 31.027 31.184 -0.157 1
1 312 . 2 1 1 A 34 34 VAL C C 34 177.609 177.745 -0.136 1
1 313 . 2 1 1 A 35 35 HIS N N 35 116.579 119.644 -3.065 1
1 314 . 2 1 1 A 35 35 HIS H H 35 7.002 7.747 -0.745 1
1 315 . 2 1 1 A 35 35 HIS CA C 35 54.913 59.080 -4.167 1
1 316 . 2 1 1 A 35 35 HIS HA H 35 4.799 4.288 0.511 1
1 317 . 2 1 1 A 35 35 HIS CB C 35 28.576 30.431 -1.855 1
1 323 . 2 1 1 A 35 35 HIS C C 35 175.666 176.008 -0.342 1
1 325 . 2 1 1 A 36 36 MET N N 36 118.563 118.901 -0.338 1
1 326 . 2 1 1 A 36 36 MET H H 36 7.508 7.480 0.028 1
1 327 . 2 1 1 A 36 36 MET CA C 36 56.556 56.958 -0.402 1
1 328 . 2 1 1 A 36 36 MET HA H 36 4.389 4.291 0.098 1
1 329 . 2 1 1 A 36 36 MET CB C 36 32.971 33.025 -0.054 1
1 337 . 2 1 1 A 36 36 MET C C 36 176.824 177.182 -0.358 1
1 340 . 2 1 1 A 37 37 GLY N N 37 108.831 110.972 -2.141 1
1 341 . 2 1 1 A 37 37 GLY H H 37 8.190 8.501 -0.311 1
1 342 . 2 1 1 A 37 37 GLY CA C 37 45.478 45.938 -0.460 1
1 343 . 2 1 1 A 37 37 GLY HA3 H 37 3.944 3.990 -0.046 1
1 344 . 2 1 1 A 37 37 GLY C C 37 174.378 173.511 0.867 1
1 345 . 2 1 1 A 37 37 GLY HA2 H 37 3.944 3.987 -0.043 1
1 346 . 2 1 1 A 38 38 GLU N N 38 120.546 125.171 -4.625 1
1 347 . 2 1 1 A 38 38 GLU H H 38 8.102 8.817 -0.715 1
1 348 . 2 1 1 A 38 38 GLU CA C 38 56.637 55.072 1.565 1
1 349 . 2 1 1 A 38 38 GLU HA H 38 4.234 4.752 -0.518 1
1 350 . 2 1 1 A 38 38 GLU CB C 38 30.266 30.433 -0.167 1
1 354 . 2 1 1 A 38 38 GLU C C 38 176.786 176.622 0.164 1
1 357 . 2 1 1 A 39 39 LYS N N 39 121.499 124.329 -2.830 1
1 358 . 2 1 1 A 39 39 LYS H H 39 8.275 8.678 -0.403 1
1 359 . 2 1 1 A 39 39 LYS CA C 39 56.239 59.318 -3.079 1
1 360 . 2 1 1 A 39 39 LYS HA H 39 4.318 3.972 0.346 1
1 361 . 2 1 1 A 39 39 LYS CB C 39 32.798 32.663 0.135 1
1 369 . 2 1 1 A 39 39 LYS C C 39 176.575 179.025 -2.450 1
1 374 . 2 1 1 A 40 40 CYS N N 40 120.323 118.936 1.387 1
1 375 . 2 1 1 A 40 40 CYS H H 40 8.318 8.100 0.218 1
1 376 . 2 1 1 A 40 40 CYS CA C 40 58.407 62.715 -4.308 1
1 377 . 2 1 1 A 40 40 CYS CB C 40 28.054 26.786 1.268 1
1 1 . 3 1 1 A 9 9 GLY CA C 9 45.281 44.274 1.007 1
1 2 . 3 1 1 A 9 9 GLY HA3 H 9 3.935 4.031 -0.096 1
1 3 . 3 1 1 A 9 9 GLY C C 9 174.135 171.399 2.736 1
1 4 . 3 1 1 A 9 9 GLY HA2 H 9 3.935 4.030 -0.095 1
1 5 . 3 1 1 A 10 10 GLU N N 10 120.713 120.040 0.673 1
1 6 . 3 1 1 A 10 10 GLU H H 10 8.248 8.482 -0.234 1
1 7 . 3 1 1 A 10 10 GLU CA C 10 56.650 55.526 1.124 1
1 8 . 3 1 1 A 10 10 GLU HA H 10 4.221 4.763 -0.542 1
1 9 . 3 1 1 A 10 10 GLU CB C 10 30.255 33.863 -3.608 1
1 13 . 3 1 1 A 10 10 GLU C C 10 176.461 174.558 1.903 1
1 16 . 3 1 1 A 11 11 LYS N N 11 122.447 126.901 -4.454 1
1 17 . 3 1 1 A 11 11 LYS H H 11 8.369 8.448 -0.079 1
1 18 . 3 1 1 A 11 11 LYS CA C 11 55.860 57.257 -1.397 1
1 19 . 3 1 1 A 11 11 LYS HA H 11 4.251 4.207 0.044 1
1 20 . 3 1 1 A 11 11 LYS CB C 11 32.853 32.977 -0.124 1
1 28 . 3 1 1 A 11 11 LYS C C 11 175.765 176.076 -0.311 1
1 33 . 3 1 1 A 12 12 SER N N 12 115.851 119.514 -3.663 1
1 34 . 3 1 1 A 12 12 SER H H 12 7.899 8.687 -0.788 1
1 35 . 3 1 1 A 12 12 SER CA C 12 58.089 56.519 1.570 1
1 36 . 3 1 1 A 12 12 SER HA H 12 4.334 5.257 -0.923 1
1 37 . 3 1 1 A 12 12 SER CB C 12 64.118 65.780 -1.662 1
1 39 . 3 1 1 A 12 12 SER C C 12 173.004 172.643 0.361 1
1 41 . 3 1 1 A 13 13 HIS N N 13 122.321 123.620 -1.299 1
1 42 . 3 1 1 A 13 13 HIS H H 13 8.450 9.013 -0.563 1
1 43 . 3 1 1 A 13 13 HIS CA C 13 55.542 55.512 0.030 1
1 44 . 3 1 1 A 13 13 HIS HA H 13 4.711 4.935 -0.224 1
1 45 . 3 1 1 A 13 13 HIS CB C 13 31.777 29.474 2.303 1
1 51 . 3 1 1 A 13 13 HIS C C 13 174.797 174.655 0.142 1
1 53 . 3 1 1 A 14 14 THR N N 14 120.690 120.036 0.654 1
1 54 . 3 1 1 A 14 14 THR H H 14 8.703 8.932 -0.229 1
1 55 . 3 1 1 A 14 14 THR CA C 14 61.874 61.572 0.302 1
1 56 . 3 1 1 A 14 14 THR HA H 14 4.977 4.997 -0.020 1
1 57 . 3 1 1 A 14 14 THR CB C 14 71.173 70.285 0.888 1
1 63 . 3 1 1 A 14 14 THR C C 14 173.574 173.803 -0.229 1
1 64 . 3 1 1 A 15 15 CYS N N 15 127.944 125.448 2.496 1
1 65 . 3 1 1 A 15 15 CYS H H 15 9.190 8.730 0.460 1
1 66 . 3 1 1 A 15 15 CYS CA C 15 59.578 59.755 -0.177 1
1 67 . 3 1 1 A 15 15 CYS HA H 15 4.496 4.640 -0.144 1
1 68 . 3 1 1 A 15 15 CYS CB C 15 29.551 28.461 1.090 1
1 70 . 3 1 1 A 15 15 CYS C C 15 176.421 175.983 0.438 1
1 72 . 3 1 1 A 16 16 ASP N N 16 132.096 128.872 3.224 1
1 73 . 3 1 1 A 16 16 ASP H H 16 9.243 9.369 -0.126 1
1 74 . 3 1 1 A 16 16 ASP CA C 16 56.482 55.418 1.064 1
1 75 . 3 1 1 A 16 16 ASP HA H 16 4.397 4.585 -0.188 1
1 76 . 3 1 1 A 16 16 ASP CB C 16 40.687 40.797 -0.110 1
1 78 . 3 1 1 A 16 16 ASP C C 16 176.308 177.675 -1.367 1
1 80 . 3 1 1 A 17 17 GLU N N 17 120.252 118.263 1.989 1
1 81 . 3 1 1 A 17 17 GLU H H 17 8.524 7.609 0.915 1
1 82 . 3 1 1 A 17 17 GLU CA C 17 58.336 58.944 -0.608 1
1 83 . 3 1 1 A 17 17 GLU HA H 17 4.181 3.963 0.218 1
1 84 . 3 1 1 A 17 17 GLU CB C 17 29.651 29.206 0.445 1
1 88 . 3 1 1 A 17 17 GLU C C 17 177.189 177.960 -0.771 1
1 91 . 3 1 1 A 18 18 CYS N N 18 114.371 114.807 -0.436 1
1 92 . 3 1 1 A 18 18 CYS H H 18 7.834 7.771 0.063 1
1 93 . 3 1 1 A 18 18 CYS CA C 18 58.344 59.529 -1.185 1
1 94 . 3 1 1 A 18 18 CYS HA H 18 5.146 4.735 0.411 1
1 95 . 3 1 1 A 18 18 CYS CB C 18 32.565 30.126 2.439 1
1 97 . 3 1 1 A 18 18 CYS C C 18 176.321 175.664 0.657 1
1 99 . 3 1 1 A 19 19 GLY N N 19 113.718 109.857 3.861 1
1 100 . 3 1 1 A 19 19 GLY H H 19 8.339 8.004 0.335 1
1 101 . 3 1 1 A 19 19 GLY CA C 19 46.154 45.142 1.012 1
1 102 . 3 1 1 A 19 19 GLY HA3 H 19 4.167 4.065 0.102 1
1 103 . 3 1 1 A 19 19 GLY C C 19 173.777 174.637 -0.860 1
1 104 . 3 1 1 A 19 19 GLY HA2 H 19 3.733 4.059 -0.326 1
1 105 . 3 1 1 A 20 20 LYS N N 20 122.244 120.027 2.217 1
1 106 . 3 1 1 A 20 20 LYS H H 20 7.876 7.791 0.085 1
1 107 . 3 1 1 A 20 20 LYS CA C 20 58.108 55.940 2.168 1
1 108 . 3 1 1 A 20 20 LYS HA H 20 3.952 4.301 -0.349 1
1 109 . 3 1 1 A 20 20 LYS CB C 20 33.739 34.261 -0.522 1
1 117 . 3 1 1 A 20 20 LYS C C 20 174.125 175.169 -1.044 1
1 122 . 3 1 1 A 21 21 ASN N N 21 118.989 118.343 0.646 1
1 123 . 3 1 1 A 21 21 ASN H H 21 7.986 7.908 0.078 1
1 124 . 3 1 1 A 21 21 ASN CA C 21 52.255 51.632 0.623 1
1 125 . 3 1 1 A 21 21 ASN HA H 21 5.260 5.295 -0.035 1
1 126 . 3 1 1 A 21 21 ASN CB C 21 41.894 42.249 -0.355 1
1 131 . 3 1 1 A 21 21 ASN C C 21 173.974 172.845 1.129 1
1 133 . 3 1 1 A 22 22 PHE N N 22 118.357 121.532 -3.175 1
1 134 . 3 1 1 A 22 22 PHE H H 22 8.729 8.750 -0.021 1
1 135 . 3 1 1 A 22 22 PHE CA C 22 57.281 56.366 0.915 1
1 136 . 3 1 1 A 22 22 PHE HA H 22 4.599 4.812 -0.213 1
1 137 . 3 1 1 A 22 22 PHE CB C 22 43.439 41.119 2.320 1
1 149 . 3 1 1 A 22 22 PHE C C 22 175.459 175.715 -0.256 1
1 151 . 3 1 1 A 23 23 CYS CA C 23 60.735 62.937 -2.202 1
1 152 . 3 1 1 A 23 23 CYS HA H 23 4.382 4.300 0.082 1
1 153 . 3 1 1 A 23 23 CYS CB C 23 27.868 27.734 0.134 1
1 155 . 3 1 1 A 23 23 CYS C C 23 173.938 174.495 -0.557 1
1 157 . 3 1 1 A 24 24 TYR N N 24 114.062 115.105 -1.043 1
1 158 . 3 1 1 A 24 24 TYR H H 24 7.375 7.446 -0.071 1
1 159 . 3 1 1 A 24 24 TYR CA C 24 55.792 55.912 -0.120 1
1 160 . 3 1 1 A 24 24 TYR HA H 24 5.006 4.840 0.166 1
1 161 . 3 1 1 A 24 24 TYR CB C 24 41.225 40.345 0.880 1
1 171 . 3 1 1 A 24 24 TYR C C 24 176.484 175.457 1.027 1
1 173 . 3 1 1 A 25 25 ILE N N 25 125.892 123.004 2.888 1
1 174 . 3 1 1 A 25 25 ILE H H 25 8.886 8.309 0.577 1
1 175 . 3 1 1 A 25 25 ILE CA C 25 63.625 64.331 -0.706 1
1 176 . 3 1 1 A 25 25 ILE HA H 25 3.421 3.229 0.192 1
1 177 . 3 1 1 A 25 25 ILE CB C 25 37.584 37.368 0.216 1
1 189 . 3 1 1 A 25 25 ILE C C 25 177.052 177.491 -0.439 1
1 191 . 3 1 1 A 26 26 SER N N 26 116.283 118.237 -1.954 1
1 192 . 3 1 1 A 26 26 SER H H 26 8.370 8.054 0.316 1
1 193 . 3 1 1 A 26 26 SER CA C 26 60.986 62.123 -1.137 1
1 194 . 3 1 1 A 26 26 SER HA H 26 3.982 4.041 -0.059 1
1 195 . 3 1 1 A 26 26 SER CB C 26 61.572 62.803 -1.231 1
1 197 . 3 1 1 A 26 26 SER C C 26 176.298 176.735 -0.437 1
1 199 . 3 1 1 A 27 27 ALA N N 27 123.029 123.471 -0.442 1
1 200 . 3 1 1 A 27 27 ALA H H 27 6.647 7.933 -1.286 1
1 201 . 3 1 1 A 27 27 ALA CA C 27 54.300 55.022 -0.722 1
1 202 . 3 1 1 A 27 27 ALA HA H 27 4.099 4.140 -0.041 1
1 203 . 3 1 1 A 27 27 ALA CB C 27 19.034 18.296 0.738 1
1 207 . 3 1 1 A 27 27 ALA C C 27 179.963 179.031 0.932 1
1 208 . 3 1 1 A 28 28 LEU N N 28 121.207 119.508 1.699 1
1 209 . 3 1 1 A 28 28 LEU H H 28 7.084 7.424 -0.340 1
1 210 . 3 1 1 A 28 28 LEU CA C 28 57.723 57.187 0.536 1
1 211 . 3 1 1 A 28 28 LEU HA H 28 3.008 2.043 0.965 1
1 212 . 3 1 1 A 28 28 LEU CB C 28 40.253 41.138 -0.885 1
1 224 . 3 1 1 A 28 28 LEU C C 28 177.583 178.076 -0.493 1
1 226 . 3 1 1 A 29 29 ARG N N 29 117.731 117.497 0.234 1
1 227 . 3 1 1 A 29 29 ARG H H 29 8.183 8.386 -0.203 1
1 228 . 3 1 1 A 29 29 ARG CA C 29 58.953 59.738 -0.785 1
1 229 . 3 1 1 A 29 29 ARG HA H 29 4.100 3.863 0.237 1
1 230 . 3 1 1 A 29 29 ARG CB C 29 29.440 29.877 -0.437 1
1 236 . 3 1 1 A 29 29 ARG C C 29 179.718 178.516 1.202 1
1 240 . 3 1 1 A 30 30 ILE N N 30 119.059 119.939 -0.880 1
1 241 . 3 1 1 A 30 30 ILE H H 30 7.480 7.663 -0.183 1
1 242 . 3 1 1 A 30 30 ILE CA C 30 64.651 65.149 -0.498 1
1 243 . 3 1 1 A 30 30 ILE HA H 30 3.612 3.629 -0.017 1
1 244 . 3 1 1 A 30 30 ILE CB C 30 38.266 37.774 0.492 1
1 256 . 3 1 1 A 30 30 ILE C C 30 178.844 178.067 0.777 1
1 258 . 3 1 1 A 31 31 HIS N N 31 120.618 119.081 1.537 1
1 259 . 3 1 1 A 31 31 HIS H H 31 7.565 7.933 -0.368 1
1 260 . 3 1 1 A 31 31 HIS CA C 31 59.193 60.006 -0.813 1
1 261 . 3 1 1 A 31 31 HIS HA H 31 4.187 4.091 0.096 1
1 262 . 3 1 1 A 31 31 HIS CB C 31 28.263 29.461 -1.198 1
1 268 . 3 1 1 A 31 31 HIS C C 31 176.323 177.245 -0.922 1
1 270 . 3 1 1 A 32 32 GLN N N 32 115.336 117.422 -2.086 1
1 271 . 3 1 1 A 32 32 GLN H H 32 8.413 8.203 0.210 1
1 272 . 3 1 1 A 32 32 GLN CA C 32 59.459 58.879 0.580 1
1 273 . 3 1 1 A 32 32 GLN HA H 32 3.578 3.835 -0.257 1
1 274 . 3 1 1 A 32 32 GLN CB C 32 28.370 28.343 0.027 1
1 281 . 3 1 1 A 32 32 GLN C C 32 177.630 178.567 -0.937 1
1 284 . 3 1 1 A 33 33 ARG N N 33 118.205 119.629 -1.424 1
1 285 . 3 1 1 A 33 33 ARG H H 33 7.230 7.858 -0.628 1
1 286 . 3 1 1 A 33 33 ARG CA C 33 58.907 58.483 0.424 1
1 287 . 3 1 1 A 33 33 ARG HA H 33 4.017 4.080 -0.063 1
1 288 . 3 1 1 A 33 33 ARG CB C 33 29.906 29.886 0.020 1
1 294 . 3 1 1 A 33 33 ARG C C 33 178.998 178.272 0.726 1
1 298 . 3 1 1 A 34 34 VAL N N 34 116.652 117.064 -0.412 1
1 299 . 3 1 1 A 34 34 VAL H H 34 7.929 7.641 0.288 1
1 300 . 3 1 1 A 34 34 VAL CA C 34 64.172 65.410 -1.238 1
1 301 . 3 1 1 A 34 34 VAL HA H 34 3.849 3.777 0.072 1
1 302 . 3 1 1 A 34 34 VAL CB C 34 31.027 31.086 -0.059 1
1 312 . 3 1 1 A 34 34 VAL C C 34 177.609 176.522 1.087 1
1 313 . 3 1 1 A 35 35 HIS N N 35 116.579 119.643 -3.064 1
1 314 . 3 1 1 A 35 35 HIS H H 35 7.002 7.820 -0.818 1
1 315 . 3 1 1 A 35 35 HIS CA C 35 54.913 56.462 -1.549 1
1 316 . 3 1 1 A 35 35 HIS HA H 35 4.799 4.562 0.237 1
1 317 . 3 1 1 A 35 35 HIS CB C 35 28.576 29.078 -0.502 1
1 323 . 3 1 1 A 35 35 HIS C C 35 175.666 175.459 0.207 1
1 325 . 3 1 1 A 36 36 MET N N 36 118.563 115.566 2.997 1
1 326 . 3 1 1 A 36 36 MET H H 36 7.508 7.908 -0.400 1
1 327 . 3 1 1 A 36 36 MET CA C 36 56.556 57.431 -0.875 1
1 328 . 3 1 1 A 36 36 MET HA H 36 4.389 4.441 -0.052 1
1 329 . 3 1 1 A 36 36 MET CB C 36 32.971 33.664 -0.693 1
1 337 . 3 1 1 A 36 36 MET C C 36 176.824 177.115 -0.291 1
1 340 . 3 1 1 A 37 37 GLY N N 37 108.831 108.939 -0.108 1
1 341 . 3 1 1 A 37 37 GLY H H 37 8.190 7.971 0.219 1
1 342 . 3 1 1 A 37 37 GLY CA C 37 45.478 44.619 0.859 1
1 343 . 3 1 1 A 37 37 GLY HA3 H 37 3.944 4.087 -0.143 1
1 344 . 3 1 1 A 37 37 GLY C C 37 174.378 174.668 -0.290 1
1 345 . 3 1 1 A 37 37 GLY HA2 H 37 3.944 4.079 -0.135 1
1 346 . 3 1 1 A 38 38 GLU N N 38 120.546 118.810 1.736 1
1 347 . 3 1 1 A 38 38 GLU H H 38 8.102 8.493 -0.391 1
1 348 . 3 1 1 A 38 38 GLU CA C 38 56.637 58.962 -2.325 1
1 349 . 3 1 1 A 38 38 GLU HA H 38 4.234 4.289 -0.055 1
1 350 . 3 1 1 A 38 38 GLU CB C 38 30.266 30.401 -0.135 1
1 354 . 3 1 1 A 38 38 GLU C C 38 176.786 177.117 -0.331 1
1 357 . 3 1 1 A 39 39 LYS N N 39 121.499 118.207 3.292 1
1 358 . 3 1 1 A 39 39 LYS H H 39 8.275 7.752 0.523 1
1 359 . 3 1 1 A 39 39 LYS CA C 39 56.239 55.741 0.498 1
1 360 . 3 1 1 A 39 39 LYS HA H 39 4.318 4.394 -0.076 1
1 361 . 3 1 1 A 39 39 LYS CB C 39 32.798 31.452 1.346 1
1 369 . 3 1 1 A 39 39 LYS C C 39 176.575 176.415 0.160 1
1 374 . 3 1 1 A 40 40 CYS N N 40 120.323 125.066 -4.743 1
1 375 . 3 1 1 A 40 40 CYS H H 40 8.318 8.497 -0.179 1
1 376 . 3 1 1 A 40 40 CYS CA C 40 58.407 58.541 -0.134 1
1 377 . 3 1 1 A 40 40 CYS CB C 40 28.054 28.692 -0.638 1
1 1 . 4 1 1 A 9 9 GLY CA C 9 45.281 44.624 0.657 1
1 2 . 4 1 1 A 9 9 GLY HA3 H 9 3.935 4.080 -0.145 1
1 3 . 4 1 1 A 9 9 GLY C C 9 174.135 173.049 1.086 1
1 4 . 4 1 1 A 9 9 GLY HA2 H 9 3.935 4.077 -0.142 1
1 5 . 4 1 1 A 10 10 GLU N N 10 120.713 123.078 -2.365 1
1 6 . 4 1 1 A 10 10 GLU H H 10 8.248 8.367 -0.119 1
1 7 . 4 1 1 A 10 10 GLU CA C 10 56.650 54.660 1.990 1
1 8 . 4 1 1 A 10 10 GLU HA H 10 4.221 4.942 -0.721 1
1 9 . 4 1 1 A 10 10 GLU CB C 10 30.255 32.089 -1.834 1
1 13 . 4 1 1 A 10 10 GLU C C 10 176.461 175.723 0.738 1
1 16 . 4 1 1 A 11 11 LYS N N 11 122.447 123.420 -0.973 1
1 17 . 4 1 1 A 11 11 LYS H H 11 8.369 8.444 -0.075 1
1 18 . 4 1 1 A 11 11 LYS CA C 11 55.860 56.387 -0.527 1
1 19 . 4 1 1 A 11 11 LYS HA H 11 4.251 4.124 0.127 1
1 20 . 4 1 1 A 11 11 LYS CB C 11 32.853 31.104 1.749 1
1 28 . 4 1 1 A 11 11 LYS C C 11 175.765 175.732 0.033 1
1 33 . 4 1 1 A 12 12 SER N N 12 115.851 119.598 -3.747 1
1 34 . 4 1 1 A 12 12 SER H H 12 7.899 8.319 -0.420 1
1 35 . 4 1 1 A 12 12 SER CA C 12 58.089 57.662 0.427 1
1 36 . 4 1 1 A 12 12 SER HA H 12 4.334 4.789 -0.455 1
1 37 . 4 1 1 A 12 12 SER CB C 12 64.118 66.776 -2.658 1
1 39 . 4 1 1 A 12 12 SER C C 12 173.004 173.218 -0.214 1
1 41 . 4 1 1 A 13 13 HIS N N 13 122.321 122.572 -0.251 1
1 42 . 4 1 1 A 13 13 HIS H H 13 8.450 8.306 0.144 1
1 43 . 4 1 1 A 13 13 HIS CA C 13 55.542 56.487 -0.945 1
1 44 . 4 1 1 A 13 13 HIS HA H 13 4.711 4.860 -0.149 1
1 45 . 4 1 1 A 13 13 HIS CB C 13 31.777 30.977 0.800 1
1 51 . 4 1 1 A 13 13 HIS C C 13 174.797 175.480 -0.683 1
1 53 . 4 1 1 A 14 14 THR N N 14 120.690 116.478 4.212 1
1 54 . 4 1 1 A 14 14 THR H H 14 8.703 8.862 -0.159 1
1 55 . 4 1 1 A 14 14 THR CA C 14 61.874 61.334 0.540 1
1 56 . 4 1 1 A 14 14 THR HA H 14 4.977 5.056 -0.079 1
1 57 . 4 1 1 A 14 14 THR CB C 14 71.173 71.401 -0.228 1
1 63 . 4 1 1 A 14 14 THR C C 14 173.574 173.464 0.110 1
1 64 . 4 1 1 A 15 15 CYS N N 15 127.944 125.099 2.845 1
1 65 . 4 1 1 A 15 15 CYS H H 15 9.190 8.652 0.538 1
1 66 . 4 1 1 A 15 15 CYS CA C 15 59.578 59.081 0.497 1
1 67 . 4 1 1 A 15 15 CYS HA H 15 4.496 4.656 -0.160 1
1 68 . 4 1 1 A 15 15 CYS CB C 15 29.551 28.272 1.279 1
1 70 . 4 1 1 A 15 15 CYS C C 15 176.421 175.928 0.493 1
1 72 . 4 1 1 A 16 16 ASP N N 16 132.096 128.078 4.018 1
1 73 . 4 1 1 A 16 16 ASP H H 16 9.243 8.961 0.282 1
1 74 . 4 1 1 A 16 16 ASP CA C 16 56.482 56.414 0.068 1
1 75 . 4 1 1 A 16 16 ASP HA H 16 4.397 4.513 -0.116 1
1 76 . 4 1 1 A 16 16 ASP CB C 16 40.687 40.395 0.292 1
1 78 . 4 1 1 A 16 16 ASP C C 16 176.308 178.210 -1.902 1
1 80 . 4 1 1 A 17 17 GLU N N 17 120.252 119.111 1.141 1
1 81 . 4 1 1 A 17 17 GLU H H 17 8.524 7.936 0.588 1
1 82 . 4 1 1 A 17 17 GLU CA C 17 58.336 59.057 -0.721 1
1 83 . 4 1 1 A 17 17 GLU HA H 17 4.181 3.953 0.228 1
1 84 . 4 1 1 A 17 17 GLU CB C 17 29.651 29.221 0.430 1
1 88 . 4 1 1 A 17 17 GLU C C 17 177.189 178.089 -0.900 1
1 91 . 4 1 1 A 18 18 CYS N N 18 114.371 114.669 -0.298 1
1 92 . 4 1 1 A 18 18 CYS H H 18 7.834 7.861 -0.027 1
1 93 . 4 1 1 A 18 18 CYS CA C 18 58.344 59.584 -1.240 1
1 94 . 4 1 1 A 18 18 CYS HA H 18 5.146 4.804 0.342 1
1 95 . 4 1 1 A 18 18 CYS CB C 18 32.565 30.396 2.169 1
1 97 . 4 1 1 A 18 18 CYS C C 18 176.321 175.716 0.605 1
1 99 . 4 1 1 A 19 19 GLY N N 19 113.718 110.117 3.601 1
1 100 . 4 1 1 A 19 19 GLY H H 19 8.339 8.226 0.113 1
1 101 . 4 1 1 A 19 19 GLY CA C 19 46.154 45.173 0.981 1
1 102 . 4 1 1 A 19 19 GLY HA3 H 19 4.167 4.074 0.093 1
1 103 . 4 1 1 A 19 19 GLY C C 19 173.777 174.654 -0.877 1
1 104 . 4 1 1 A 19 19 GLY HA2 H 19 3.733 4.066 -0.333 1
1 105 . 4 1 1 A 20 20 LYS N N 20 122.244 119.624 2.620 1
1 106 . 4 1 1 A 20 20 LYS H H 20 7.876 7.827 0.049 1
1 107 . 4 1 1 A 20 20 LYS CA C 20 58.108 55.808 2.300 1
1 108 . 4 1 1 A 20 20 LYS HA H 20 3.952 4.365 -0.413 1
1 109 . 4 1 1 A 20 20 LYS CB C 20 33.739 34.107 -0.368 1
1 117 . 4 1 1 A 20 20 LYS C C 20 174.125 175.073 -0.948 1
1 122 . 4 1 1 A 21 21 ASN N N 21 118.989 118.529 0.460 1
1 123 . 4 1 1 A 21 21 ASN H H 21 7.986 7.943 0.043 1
1 124 . 4 1 1 A 21 21 ASN CA C 21 52.255 51.600 0.655 1
1 125 . 4 1 1 A 21 21 ASN HA H 21 5.260 5.462 -0.202 1
1 126 . 4 1 1 A 21 21 ASN CB C 21 41.894 42.258 -0.364 1
1 131 . 4 1 1 A 21 21 ASN C C 21 173.974 172.982 0.992 1
1 133 . 4 1 1 A 22 22 PHE N N 22 118.357 121.370 -3.013 1
1 134 . 4 1 1 A 22 22 PHE H H 22 8.729 9.099 -0.370 1
1 135 . 4 1 1 A 22 22 PHE CA C 22 57.281 56.369 0.912 1
1 136 . 4 1 1 A 22 22 PHE HA H 22 4.599 4.755 -0.156 1
1 137 . 4 1 1 A 22 22 PHE CB C 22 43.439 41.023 2.416 1
1 149 . 4 1 1 A 22 22 PHE C C 22 175.459 175.695 -0.236 1
1 151 . 4 1 1 A 23 23 CYS CA C 23 60.735 63.316 -2.581 1
1 152 . 4 1 1 A 23 23 CYS HA H 23 4.382 4.255 0.127 1
1 153 . 4 1 1 A 23 23 CYS CB C 23 27.868 27.823 0.045 1
1 155 . 4 1 1 A 23 23 CYS C C 23 173.938 175.212 -1.274 1
1 157 . 4 1 1 A 24 24 TYR N N 24 114.062 118.397 -4.335 1
1 158 . 4 1 1 A 24 24 TYR H H 24 7.375 7.590 -0.215 1
1 159 . 4 1 1 A 24 24 TYR CA C 24 55.792 56.026 -0.234 1
1 160 . 4 1 1 A 24 24 TYR HA H 24 5.006 4.936 0.070 1
1 161 . 4 1 1 A 24 24 TYR CB C 24 41.225 40.346 0.879 1
1 171 . 4 1 1 A 24 24 TYR C C 24 176.484 175.465 1.019 1
1 173 . 4 1 1 A 25 25 ILE N N 25 125.892 123.945 1.947 1
1 174 . 4 1 1 A 25 25 ILE H H 25 8.886 8.019 0.867 1
1 175 . 4 1 1 A 25 25 ILE CA C 25 63.625 64.208 -0.583 1
1 176 . 4 1 1 A 25 25 ILE HA H 25 3.421 3.324 0.097 1
1 177 . 4 1 1 A 25 25 ILE CB C 25 37.584 37.014 0.570 1
1 189 . 4 1 1 A 25 25 ILE C C 25 177.052 177.541 -0.489 1
1 191 . 4 1 1 A 26 26 SER N N 26 116.283 118.401 -2.118 1
1 192 . 4 1 1 A 26 26 SER H H 26 8.370 7.994 0.376 1
1 193 . 4 1 1 A 26 26 SER CA C 26 60.986 61.973 -0.987 1
1 194 . 4 1 1 A 26 26 SER HA H 26 3.982 4.006 -0.024 1
1 195 . 4 1 1 A 26 26 SER CB C 26 61.572 62.819 -1.247 1
1 197 . 4 1 1 A 26 26 SER C C 26 176.298 176.734 -0.436 1
1 199 . 4 1 1 A 27 27 ALA N N 27 123.029 123.350 -0.321 1
1 200 . 4 1 1 A 27 27 ALA H H 27 6.647 8.144 -1.497 1
1 201 . 4 1 1 A 27 27 ALA CA C 27 54.300 54.978 -0.678 1
1 202 . 4 1 1 A 27 27 ALA HA H 27 4.099 4.163 -0.064 1
1 203 . 4 1 1 A 27 27 ALA CB C 27 19.034 17.831 1.203 1
1 207 . 4 1 1 A 27 27 ALA C C 27 179.963 179.210 0.753 1
1 208 . 4 1 1 A 28 28 LEU N N 28 121.207 119.181 2.026 1
1 209 . 4 1 1 A 28 28 LEU H H 28 7.084 7.263 -0.179 1
1 210 . 4 1 1 A 28 28 LEU CA C 28 57.723 57.001 0.722 1
1 211 . 4 1 1 A 28 28 LEU HA H 28 3.008 2.442 0.566 1
1 212 . 4 1 1 A 28 28 LEU CB C 28 40.253 41.165 -0.912 1
1 224 . 4 1 1 A 28 28 LEU C C 28 177.583 178.352 -0.769 1
1 226 . 4 1 1 A 29 29 ARG N N 29 117.731 118.225 -0.494 1
1 227 . 4 1 1 A 29 29 ARG H H 29 8.183 8.015 0.168 1
1 228 . 4 1 1 A 29 29 ARG CA C 29 58.953 59.559 -0.606 1
1 229 . 4 1 1 A 29 29 ARG HA H 29 4.100 3.901 0.199 1
1 230 . 4 1 1 A 29 29 ARG CB C 29 29.440 29.814 -0.374 1
1 236 . 4 1 1 A 29 29 ARG C C 29 179.718 178.583 1.135 1
1 240 . 4 1 1 A 30 30 ILE N N 30 119.059 120.027 -0.968 1
1 241 . 4 1 1 A 30 30 ILE H H 30 7.480 7.657 -0.177 1
1 242 . 4 1 1 A 30 30 ILE CA C 30 64.651 64.956 -0.305 1
1 243 . 4 1 1 A 30 30 ILE HA H 30 3.612 3.685 -0.073 1
1 244 . 4 1 1 A 30 30 ILE CB C 30 38.266 37.791 0.475 1
1 256 . 4 1 1 A 30 30 ILE C C 30 178.844 178.371 0.473 1
1 258 . 4 1 1 A 31 31 HIS N N 31 120.618 119.829 0.789 1
1 259 . 4 1 1 A 31 31 HIS H H 31 7.565 7.896 -0.331 1
1 260 . 4 1 1 A 31 31 HIS CA C 31 59.193 60.003 -0.810 1
1 261 . 4 1 1 A 31 31 HIS HA H 31 4.187 4.147 0.040 1
1 262 . 4 1 1 A 31 31 HIS CB C 31 28.263 29.903 -1.640 1
1 268 . 4 1 1 A 31 31 HIS C C 31 176.323 177.571 -1.248 1
1 270 . 4 1 1 A 32 32 GLN N N 32 115.336 118.345 -3.009 1
1 271 . 4 1 1 A 32 32 GLN H H 32 8.413 8.303 0.110 1
1 272 . 4 1 1 A 32 32 GLN CA C 32 59.459 58.992 0.467 1
1 273 . 4 1 1 A 32 32 GLN HA H 32 3.578 3.838 -0.260 1
1 274 . 4 1 1 A 32 32 GLN CB C 32 28.370 28.290 0.080 1
1 281 . 4 1 1 A 32 32 GLN C C 32 177.630 178.436 -0.806 1
1 284 . 4 1 1 A 33 33 ARG N N 33 118.205 120.211 -2.006 1
1 285 . 4 1 1 A 33 33 ARG H H 33 7.230 8.083 -0.853 1
1 286 . 4 1 1 A 33 33 ARG CA C 33 58.907 59.044 -0.137 1
1 287 . 4 1 1 A 33 33 ARG HA H 33 4.017 4.054 -0.037 1
1 288 . 4 1 1 A 33 33 ARG CB C 33 29.906 30.242 -0.336 1
1 294 . 4 1 1 A 33 33 ARG C C 33 178.998 178.874 0.124 1
1 298 . 4 1 1 A 34 34 VAL N N 34 116.652 116.403 0.249 1
1 299 . 4 1 1 A 34 34 VAL H H 34 7.929 7.777 0.152 1
1 300 . 4 1 1 A 34 34 VAL CA C 34 64.172 65.368 -1.196 1
1 301 . 4 1 1 A 34 34 VAL HA H 34 3.849 3.710 0.139 1
1 302 . 4 1 1 A 34 34 VAL CB C 34 31.027 31.086 -0.059 1
1 312 . 4 1 1 A 34 34 VAL C C 34 177.609 177.572 0.037 1
1 313 . 4 1 1 A 35 35 HIS N N 35 116.579 120.534 -3.955 1
1 314 . 4 1 1 A 35 35 HIS H H 35 7.002 7.804 -0.802 1
1 315 . 4 1 1 A 35 35 HIS CA C 35 54.913 59.659 -4.746 1
1 316 . 4 1 1 A 35 35 HIS HA H 35 4.799 4.352 0.447 1
1 317 . 4 1 1 A 35 35 HIS CB C 35 28.576 29.947 -1.371 1
1 323 . 4 1 1 A 35 35 HIS C C 35 175.666 177.591 -1.925 1
1 325 . 4 1 1 A 36 36 MET N N 36 118.563 117.906 0.657 1
1 326 . 4 1 1 A 36 36 MET H H 36 7.508 7.549 -0.041 1
1 327 . 4 1 1 A 36 36 MET CA C 36 56.556 58.312 -1.756 1
1 328 . 4 1 1 A 36 36 MET HA H 36 4.389 4.024 0.365 1
1 329 . 4 1 1 A 36 36 MET CB C 36 32.971 32.985 -0.014 1
1 337 . 4 1 1 A 36 36 MET C C 36 176.824 176.797 0.027 1
1 340 . 4 1 1 A 37 37 GLY N N 37 108.831 107.041 1.790 1
1 341 . 4 1 1 A 37 37 GLY H H 37 8.190 8.135 0.055 1
1 342 . 4 1 1 A 37 37 GLY CA C 37 45.478 46.064 -0.586 1
1 343 . 4 1 1 A 37 37 GLY HA3 H 37 3.944 3.976 -0.032 1
1 344 . 4 1 1 A 37 37 GLY C C 37 174.378 173.462 0.916 1
1 345 . 4 1 1 A 37 37 GLY HA2 H 37 3.944 3.965 -0.021 1
1 346 . 4 1 1 A 38 38 GLU N N 38 120.546 119.988 0.558 1
1 347 . 4 1 1 A 38 38 GLU H H 38 8.102 7.679 0.423 1
1 348 . 4 1 1 A 38 38 GLU CA C 38 56.637 54.761 1.876 1
1 349 . 4 1 1 A 38 38 GLU HA H 38 4.234 4.921 -0.687 1
1 350 . 4 1 1 A 38 38 GLU CB C 38 30.266 33.792 -3.526 1
1 354 . 4 1 1 A 38 38 GLU C C 38 176.786 174.884 1.902 1
1 357 . 4 1 1 A 39 39 LYS N N 39 121.499 120.112 1.387 1
1 358 . 4 1 1 A 39 39 LYS H H 39 8.275 8.939 -0.664 1
1 359 . 4 1 1 A 39 39 LYS CA C 39 56.239 54.624 1.615 1
1 360 . 4 1 1 A 39 39 LYS HA H 39 4.318 5.176 -0.858 1
1 361 . 4 1 1 A 39 39 LYS CB C 39 32.798 36.677 -3.879 1
1 369 . 4 1 1 A 39 39 LYS C C 39 176.575 174.311 2.264 1
1 374 . 4 1 1 A 40 40 CYS N N 40 120.323 119.294 1.029 1
1 375 . 4 1 1 A 40 40 CYS H H 40 8.318 8.785 -0.467 1
1 376 . 4 1 1 A 40 40 CYS CA C 40 58.407 57.713 0.694 1
1 377 . 4 1 1 A 40 40 CYS CB C 40 28.054 29.172 -1.118 1
1 1 . 5 1 1 A 9 9 GLY CA C 9 45.281 44.708 0.573 1
1 2 . 5 1 1 A 9 9 GLY HA3 H 9 3.935 4.007 -0.072 1
1 3 . 5 1 1 A 9 9 GLY C C 9 174.135 172.162 1.973 1
1 4 . 5 1 1 A 9 9 GLY HA2 H 9 3.935 4.004 -0.069 1
1 5 . 5 1 1 A 10 10 GLU N N 10 120.713 122.326 -1.613 1
1 6 . 5 1 1 A 10 10 GLU H H 10 8.248 8.421 -0.173 1
1 7 . 5 1 1 A 10 10 GLU CA C 10 56.650 55.031 1.619 1
1 8 . 5 1 1 A 10 10 GLU HA H 10 4.221 4.911 -0.690 1
1 9 . 5 1 1 A 10 10 GLU CB C 10 30.255 33.613 -3.358 1
1 13 . 5 1 1 A 10 10 GLU C C 10 176.461 174.604 1.857 1
1 16 . 5 1 1 A 11 11 LYS N N 11 122.447 126.697 -4.250 1
1 17 . 5 1 1 A 11 11 LYS H H 11 8.369 8.508 -0.139 1
1 18 . 5 1 1 A 11 11 LYS CA C 11 55.860 56.185 -0.325 1
1 19 . 5 1 1 A 11 11 LYS HA H 11 4.251 4.441 -0.190 1
1 20 . 5 1 1 A 11 11 LYS CB C 11 32.853 31.495 1.358 1
1 28 . 5 1 1 A 11 11 LYS C C 11 175.765 175.451 0.314 1
1 33 . 5 1 1 A 12 12 SER N N 12 115.851 119.371 -3.520 1
1 34 . 5 1 1 A 12 12 SER H H 12 7.899 8.082 -0.183 1
1 35 . 5 1 1 A 12 12 SER CA C 12 58.089 57.575 0.514 1
1 36 . 5 1 1 A 12 12 SER HA H 12 4.334 4.880 -0.546 1
1 37 . 5 1 1 A 12 12 SER CB C 12 64.118 66.748 -2.630 1
1 39 . 5 1 1 A 12 12 SER C C 12 173.004 173.124 -0.120 1
1 41 . 5 1 1 A 13 13 HIS N N 13 122.321 122.444 -0.123 1
1 42 . 5 1 1 A 13 13 HIS H H 13 8.450 8.619 -0.169 1
1 43 . 5 1 1 A 13 13 HIS CA C 13 55.542 57.122 -1.580 1
1 44 . 5 1 1 A 13 13 HIS HA H 13 4.711 4.650 0.061 1
1 45 . 5 1 1 A 13 13 HIS CB C 13 31.777 29.674 2.103 1
1 51 . 5 1 1 A 13 13 HIS C C 13 174.797 175.306 -0.509 1
1 53 . 5 1 1 A 14 14 THR N N 14 120.690 118.577 2.113 1
1 54 . 5 1 1 A 14 14 THR H H 14 8.703 9.069 -0.366 1
1 55 . 5 1 1 A 14 14 THR CA C 14 61.874 61.342 0.532 1
1 56 . 5 1 1 A 14 14 THR HA H 14 4.977 4.893 0.084 1
1 57 . 5 1 1 A 14 14 THR CB C 14 71.173 70.818 0.355 1
1 63 . 5 1 1 A 14 14 THR C C 14 173.574 173.411 0.163 1
1 64 . 5 1 1 A 15 15 CYS N N 15 127.944 125.350 2.594 1
1 65 . 5 1 1 A 15 15 CYS H H 15 9.190 8.599 0.591 1
1 66 . 5 1 1 A 15 15 CYS CA C 15 59.578 59.477 0.101 1
1 67 . 5 1 1 A 15 15 CYS HA H 15 4.496 4.663 -0.167 1
1 68 . 5 1 1 A 15 15 CYS CB C 15 29.551 28.423 1.128 1
1 70 . 5 1 1 A 15 15 CYS C C 15 176.421 176.070 0.351 1
1 72 . 5 1 1 A 16 16 ASP N N 16 132.096 129.262 2.834 1
1 73 . 5 1 1 A 16 16 ASP H H 16 9.243 9.380 -0.137 1
1 74 . 5 1 1 A 16 16 ASP CA C 16 56.482 55.583 0.899 1
1 75 . 5 1 1 A 16 16 ASP HA H 16 4.397 4.586 -0.189 1
1 76 . 5 1 1 A 16 16 ASP CB C 16 40.687 40.815 -0.128 1
1 78 . 5 1 1 A 16 16 ASP C C 16 176.308 177.711 -1.403 1
1 80 . 5 1 1 A 17 17 GLU N N 17 120.252 118.298 1.954 1
1 81 . 5 1 1 A 17 17 GLU H H 17 8.524 7.626 0.898 1
1 82 . 5 1 1 A 17 17 GLU CA C 17 58.336 58.751 -0.415 1
1 83 . 5 1 1 A 17 17 GLU HA H 17 4.181 3.967 0.214 1
1 84 . 5 1 1 A 17 17 GLU CB C 17 29.651 29.325 0.326 1
1 88 . 5 1 1 A 17 17 GLU C C 17 177.189 178.096 -0.907 1
1 91 . 5 1 1 A 18 18 CYS N N 18 114.371 114.724 -0.353 1
1 92 . 5 1 1 A 18 18 CYS H H 18 7.834 7.839 -0.005 1
1 93 . 5 1 1 A 18 18 CYS CA C 18 58.344 59.329 -0.985 1
1 94 . 5 1 1 A 18 18 CYS HA H 18 5.146 4.771 0.375 1
1 95 . 5 1 1 A 18 18 CYS CB C 18 32.565 30.549 2.016 1
1 97 . 5 1 1 A 18 18 CYS C C 18 176.321 175.791 0.530 1
1 99 . 5 1 1 A 19 19 GLY N N 19 113.718 110.262 3.456 1
1 100 . 5 1 1 A 19 19 GLY H H 19 8.339 7.939 0.400 1
1 101 . 5 1 1 A 19 19 GLY CA C 19 46.154 45.058 1.096 1
1 102 . 5 1 1 A 19 19 GLY HA3 H 19 4.167 4.049 0.118 1
1 103 . 5 1 1 A 19 19 GLY C C 19 173.777 174.665 -0.888 1
1 104 . 5 1 1 A 19 19 GLY HA2 H 19 3.733 4.043 -0.310 1
1 105 . 5 1 1 A 20 20 LYS N N 20 122.244 120.310 1.934 1
1 106 . 5 1 1 A 20 20 LYS H H 20 7.876 7.398 0.478 1
1 107 . 5 1 1 A 20 20 LYS CA C 20 58.108 56.453 1.655 1
1 108 . 5 1 1 A 20 20 LYS HA H 20 3.952 4.123 -0.171 1
1 109 . 5 1 1 A 20 20 LYS CB C 20 33.739 33.774 -0.035 1
1 117 . 5 1 1 A 20 20 LYS C C 20 174.125 175.084 -0.959 1
1 122 . 5 1 1 A 21 21 ASN N N 21 118.989 118.272 0.717 1
1 123 . 5 1 1 A 21 21 ASN H H 21 7.986 7.797 0.189 1
1 124 . 5 1 1 A 21 21 ASN CA C 21 52.255 51.432 0.823 1
1 125 . 5 1 1 A 21 21 ASN HA H 21 5.260 5.212 0.048 1
1 126 . 5 1 1 A 21 21 ASN CB C 21 41.894 42.167 -0.273 1
1 131 . 5 1 1 A 21 21 ASN C C 21 173.974 172.787 1.187 1
1 133 . 5 1 1 A 22 22 PHE N N 22 118.357 122.334 -3.977 1
1 134 . 5 1 1 A 22 22 PHE H H 22 8.729 8.748 -0.019 1
1 135 . 5 1 1 A 22 22 PHE CA C 22 57.281 56.313 0.968 1
1 136 . 5 1 1 A 22 22 PHE HA H 22 4.599 4.737 -0.138 1
1 137 . 5 1 1 A 22 22 PHE CB C 22 43.439 41.424 2.015 1
1 149 . 5 1 1 A 22 22 PHE C C 22 175.459 175.544 -0.085 1
1 151 . 5 1 1 A 23 23 CYS CA C 23 60.735 62.435 -1.700 1
1 152 . 5 1 1 A 23 23 CYS HA H 23 4.382 4.387 -0.005 1
1 153 . 5 1 1 A 23 23 CYS CB C 23 27.868 27.955 -0.087 1
1 155 . 5 1 1 A 23 23 CYS C C 23 173.938 174.429 -0.491 1
1 157 . 5 1 1 A 24 24 TYR N N 24 114.062 115.533 -1.471 1
1 158 . 5 1 1 A 24 24 TYR H H 24 7.375 7.407 -0.032 1
1 159 . 5 1 1 A 24 24 TYR CA C 24 55.792 55.828 -0.036 1
1 160 . 5 1 1 A 24 24 TYR HA H 24 5.006 4.866 0.140 1
1 161 . 5 1 1 A 24 24 TYR CB C 24 41.225 40.354 0.871 1
1 171 . 5 1 1 A 24 24 TYR C C 24 176.484 175.775 0.709 1
1 173 . 5 1 1 A 25 25 ILE N N 25 125.892 123.607 2.285 1
1 174 . 5 1 1 A 25 25 ILE H H 25 8.886 8.000 0.886 1
1 175 . 5 1 1 A 25 25 ILE CA C 25 63.625 64.388 -0.763 1
1 176 . 5 1 1 A 25 25 ILE HA H 25 3.421 3.285 0.136 1
1 177 . 5 1 1 A 25 25 ILE CB C 25 37.584 37.364 0.220 1
1 189 . 5 1 1 A 25 25 ILE C C 25 177.052 177.404 -0.352 1
1 191 . 5 1 1 A 26 26 SER N N 26 116.283 118.199 -1.916 1
1 192 . 5 1 1 A 26 26 SER H H 26 8.370 8.044 0.326 1
1 193 . 5 1 1 A 26 26 SER CA C 26 60.986 62.076 -1.090 1
1 194 . 5 1 1 A 26 26 SER HA H 26 3.982 4.029 -0.047 1
1 195 . 5 1 1 A 26 26 SER CB C 26 61.572 62.604 -1.032 1
1 197 . 5 1 1 A 26 26 SER C C 26 176.298 176.764 -0.466 1
1 199 . 5 1 1 A 27 27 ALA N N 27 123.029 123.554 -0.525 1
1 200 . 5 1 1 A 27 27 ALA H H 27 6.647 8.225 -1.578 1
1 201 . 5 1 1 A 27 27 ALA CA C 27 54.300 54.975 -0.675 1
1 202 . 5 1 1 A 27 27 ALA HA H 27 4.099 4.165 -0.066 1
1 203 . 5 1 1 A 27 27 ALA CB C 27 19.034 18.102 0.932 1
1 207 . 5 1 1 A 27 27 ALA C C 27 179.963 178.987 0.976 1
1 208 . 5 1 1 A 28 28 LEU N N 28 121.207 119.217 1.990 1
1 209 . 5 1 1 A 28 28 LEU H H 28 7.084 7.290 -0.206 1
1 210 . 5 1 1 A 28 28 LEU CA C 28 57.723 57.316 0.407 1
1 211 . 5 1 1 A 28 28 LEU HA H 28 3.008 2.705 0.303 1
1 212 . 5 1 1 A 28 28 LEU CB C 28 40.253 41.194 -0.941 1
1 224 . 5 1 1 A 28 28 LEU C C 28 177.583 178.412 -0.829 1
1 226 . 5 1 1 A 29 29 ARG N N 29 117.731 118.217 -0.486 1
1 227 . 5 1 1 A 29 29 ARG H H 29 8.183 8.191 -0.008 1
1 228 . 5 1 1 A 29 29 ARG CA C 29 58.953 59.718 -0.765 1
1 229 . 5 1 1 A 29 29 ARG HA H 29 4.100 3.925 0.175 1
1 230 . 5 1 1 A 29 29 ARG CB C 29 29.440 29.712 -0.272 1
1 236 . 5 1 1 A 29 29 ARG C C 29 179.718 178.682 1.036 1
1 240 . 5 1 1 A 30 30 ILE N N 30 119.059 120.080 -1.021 1
1 241 . 5 1 1 A 30 30 ILE H H 30 7.480 7.681 -0.201 1
1 242 . 5 1 1 A 30 30 ILE CA C 30 64.651 64.603 0.048 1
1 243 . 5 1 1 A 30 30 ILE HA H 30 3.612 3.656 -0.044 1
1 244 . 5 1 1 A 30 30 ILE CB C 30 38.266 37.282 0.984 1
1 256 . 5 1 1 A 30 30 ILE C C 30 178.844 178.304 0.540 1
1 258 . 5 1 1 A 31 31 HIS N N 31 120.618 120.199 0.419 1
1 259 . 5 1 1 A 31 31 HIS H H 31 7.565 7.856 -0.291 1
1 260 . 5 1 1 A 31 31 HIS CA C 31 59.193 59.825 -0.632 1
1 261 . 5 1 1 A 31 31 HIS HA H 31 4.187 4.127 0.060 1
1 262 . 5 1 1 A 31 31 HIS CB C 31 28.263 29.961 -1.698 1
1 268 . 5 1 1 A 31 31 HIS C C 31 176.323 177.602 -1.279 1
1 270 . 5 1 1 A 32 32 GLN N N 32 115.336 118.418 -3.082 1
1 271 . 5 1 1 A 32 32 GLN H H 32 8.413 8.375 0.038 1
1 272 . 5 1 1 A 32 32 GLN CA C 32 59.459 59.103 0.356 1
1 273 . 5 1 1 A 32 32 GLN HA H 32 3.578 3.866 -0.288 1
1 274 . 5 1 1 A 32 32 GLN CB C 32 28.370 28.221 0.149 1
1 281 . 5 1 1 A 32 32 GLN C C 32 177.630 178.646 -1.016 1
1 284 . 5 1 1 A 33 33 ARG N N 33 118.205 119.932 -1.727 1
1 285 . 5 1 1 A 33 33 ARG H H 33 7.230 7.953 -0.723 1
1 286 . 5 1 1 A 33 33 ARG CA C 33 58.907 58.651 0.256 1
1 287 . 5 1 1 A 33 33 ARG HA H 33 4.017 4.044 -0.027 1
1 288 . 5 1 1 A 33 33 ARG CB C 33 29.906 29.710 0.196 1
1 294 . 5 1 1 A 33 33 ARG C C 33 178.998 178.779 0.219 1
1 298 . 5 1 1 A 34 34 VAL N N 34 116.652 117.039 -0.387 1
1 299 . 5 1 1 A 34 34 VAL H H 34 7.929 7.709 0.220 1
1 300 . 5 1 1 A 34 34 VAL CA C 34 64.172 65.415 -1.243 1
1 301 . 5 1 1 A 34 34 VAL HA H 34 3.849 3.797 0.052 1
1 302 . 5 1 1 A 34 34 VAL CB C 34 31.027 31.101 -0.074 1
1 312 . 5 1 1 A 34 34 VAL C C 34 177.609 176.456 1.153 1
1 313 . 5 1 1 A 35 35 HIS N N 35 116.579 119.456 -2.877 1
1 314 . 5 1 1 A 35 35 HIS H H 35 7.002 7.508 -0.506 1
1 315 . 5 1 1 A 35 35 HIS CA C 35 54.913 56.028 -1.115 1
1 316 . 5 1 1 A 35 35 HIS HA H 35 4.799 4.567 0.232 1
1 317 . 5 1 1 A 35 35 HIS CB C 35 28.576 29.427 -0.851 1
1 323 . 5 1 1 A 35 35 HIS C C 35 175.666 174.269 1.397 1
1 325 . 5 1 1 A 36 36 MET N N 36 118.563 118.946 -0.383 1
1 326 . 5 1 1 A 36 36 MET H H 36 7.508 7.255 0.253 1
1 327 . 5 1 1 A 36 36 MET CA C 36 56.556 54.151 2.405 1
1 328 . 5 1 1 A 36 36 MET HA H 36 4.389 4.960 -0.571 1
1 329 . 5 1 1 A 36 36 MET CB C 36 32.971 34.653 -1.682 1
1 337 . 5 1 1 A 36 36 MET C C 36 176.824 175.980 0.844 1
1 340 . 5 1 1 A 37 37 GLY N N 37 108.831 110.934 -2.103 1
1 341 . 5 1 1 A 37 37 GLY H H 37 8.190 8.600 -0.410 1
1 342 . 5 1 1 A 37 37 GLY CA C 37 45.478 45.246 0.232 1
1 343 . 5 1 1 A 37 37 GLY HA3 H 37 3.944 4.221 -0.277 1
1 344 . 5 1 1 A 37 37 GLY C C 37 174.378 172.029 2.349 1
1 345 . 5 1 1 A 37 37 GLY HA2 H 37 3.944 4.217 -0.273 1
1 346 . 5 1 1 A 38 38 GLU N N 38 120.546 120.257 0.289 1
1 347 . 5 1 1 A 38 38 GLU H H 38 8.102 8.465 -0.363 1
1 348 . 5 1 1 A 38 38 GLU CA C 38 56.637 56.893 -0.256 1
1 349 . 5 1 1 A 38 38 GLU HA H 38 4.234 4.219 0.015 1
1 350 . 5 1 1 A 38 38 GLU CB C 38 30.266 29.766 0.500 1
1 354 . 5 1 1 A 38 38 GLU C C 38 176.786 178.190 -1.404 1
1 357 . 5 1 1 A 39 39 LYS N N 39 121.499 124.075 -2.576 1
1 358 . 5 1 1 A 39 39 LYS H H 39 8.275 8.448 -0.173 1
1 359 . 5 1 1 A 39 39 LYS CA C 39 56.239 58.356 -2.117 1
1 360 . 5 1 1 A 39 39 LYS HA H 39 4.318 4.075 0.243 1
1 361 . 5 1 1 A 39 39 LYS CB C 39 32.798 32.107 0.691 1
1 369 . 5 1 1 A 39 39 LYS C C 39 176.575 176.182 0.393 1
1 374 . 5 1 1 A 40 40 CYS N N 40 120.323 119.724 0.599 1
1 375 . 5 1 1 A 40 40 CYS H H 40 8.318 7.779 0.539 1
1 376 . 5 1 1 A 40 40 CYS CA C 40 58.407 57.319 1.088 1
1 377 . 5 1 1 A 40 40 CYS CB C 40 28.054 28.002 0.052 1
1 1 . 6 1 1 A 9 9 GLY CA C 9 45.281 46.062 -0.781 1
1 2 . 6 1 1 A 9 9 GLY HA3 H 9 3.935 3.993 -0.058 1
1 3 . 6 1 1 A 9 9 GLY C C 9 174.135 173.848 0.287 1
1 4 . 6 1 1 A 9 9 GLY HA2 H 9 3.935 3.991 -0.056 1
1 5 . 6 1 1 A 10 10 GLU N N 10 120.713 121.394 -0.681 1
1 6 . 6 1 1 A 10 10 GLU H H 10 8.248 7.970 0.278 1
1 7 . 6 1 1 A 10 10 GLU CA C 10 56.650 57.003 -0.353 1
1 8 . 6 1 1 A 10 10 GLU HA H 10 4.221 4.222 -0.001 1
1 9 . 6 1 1 A 10 10 GLU CB C 10 30.255 30.314 -0.059 1
1 13 . 6 1 1 A 10 10 GLU C C 10 176.461 176.063 0.398 1
1 16 . 6 1 1 A 11 11 LYS N N 11 122.447 129.353 -6.906 1
1 17 . 6 1 1 A 11 11 LYS H H 11 8.369 8.348 0.021 1
1 18 . 6 1 1 A 11 11 LYS CA C 11 55.860 57.684 -1.824 1
1 19 . 6 1 1 A 11 11 LYS HA H 11 4.251 4.265 -0.014 1
1 20 . 6 1 1 A 11 11 LYS CB C 11 32.853 32.585 0.268 1
1 28 . 6 1 1 A 11 11 LYS C C 11 175.765 175.763 0.002 1
1 33 . 6 1 1 A 12 12 SER N N 12 115.851 119.406 -3.555 1
1 34 . 6 1 1 A 12 12 SER H H 12 7.899 8.511 -0.612 1
1 35 . 6 1 1 A 12 12 SER CA C 12 58.089 57.039 1.050 1
1 36 . 6 1 1 A 12 12 SER HA H 12 4.334 4.983 -0.649 1
1 37 . 6 1 1 A 12 12 SER CB C 12 64.118 66.243 -2.125 1
1 39 . 6 1 1 A 12 12 SER C C 12 173.004 172.483 0.521 1
1 41 . 6 1 1 A 13 13 HIS N N 13 122.321 120.891 1.430 1
1 42 . 6 1 1 A 13 13 HIS H H 13 8.450 8.805 -0.355 1
1 43 . 6 1 1 A 13 13 HIS CA C 13 55.542 55.885 -0.343 1
1 44 . 6 1 1 A 13 13 HIS HA H 13 4.711 5.260 -0.549 1
1 45 . 6 1 1 A 13 13 HIS CB C 13 31.777 32.030 -0.253 1
1 51 . 6 1 1 A 13 13 HIS C C 13 174.797 175.055 -0.258 1
1 53 . 6 1 1 A 14 14 THR N N 14 120.690 114.350 6.340 1
1 54 . 6 1 1 A 14 14 THR H H 14 8.703 8.727 -0.024 1
1 55 . 6 1 1 A 14 14 THR CA C 14 61.874 61.366 0.508 1
1 56 . 6 1 1 A 14 14 THR HA H 14 4.977 5.210 -0.233 1
1 57 . 6 1 1 A 14 14 THR CB C 14 71.173 72.050 -0.877 1
1 63 . 6 1 1 A 14 14 THR C C 14 173.574 173.339 0.235 1
1 64 . 6 1 1 A 15 15 CYS N N 15 127.944 124.899 3.045 1
1 65 . 6 1 1 A 15 15 CYS H H 15 9.190 9.194 -0.004 1
1 66 . 6 1 1 A 15 15 CYS CA C 15 59.578 58.901 0.677 1
1 67 . 6 1 1 A 15 15 CYS HA H 15 4.496 4.681 -0.185 1
1 68 . 6 1 1 A 15 15 CYS CB C 15 29.551 28.418 1.133 1
1 70 . 6 1 1 A 15 15 CYS C C 15 176.421 175.612 0.809 1
1 72 . 6 1 1 A 16 16 ASP N N 16 132.096 128.265 3.831 1
1 73 . 6 1 1 A 16 16 ASP H H 16 9.243 9.073 0.170 1
1 74 . 6 1 1 A 16 16 ASP CA C 16 56.482 56.197 0.285 1
1 75 . 6 1 1 A 16 16 ASP HA H 16 4.397 4.517 -0.120 1
1 76 . 6 1 1 A 16 16 ASP CB C 16 40.687 40.436 0.251 1
1 78 . 6 1 1 A 16 16 ASP C C 16 176.308 178.209 -1.901 1
1 80 . 6 1 1 A 17 17 GLU N N 17 120.252 119.176 1.076 1
1 81 . 6 1 1 A 17 17 GLU H H 17 8.524 8.061 0.463 1
1 82 . 6 1 1 A 17 17 GLU CA C 17 58.336 58.943 -0.607 1
1 83 . 6 1 1 A 17 17 GLU HA H 17 4.181 3.931 0.250 1
1 84 . 6 1 1 A 17 17 GLU CB C 17 29.651 29.180 0.471 1
1 88 . 6 1 1 A 17 17 GLU C C 17 177.189 178.148 -0.959 1
1 91 . 6 1 1 A 18 18 CYS N N 18 114.371 114.866 -0.495 1
1 92 . 6 1 1 A 18 18 CYS H H 18 7.834 7.876 -0.042 1
1 93 . 6 1 1 A 18 18 CYS CA C 18 58.344 59.332 -0.988 1
1 94 . 6 1 1 A 18 18 CYS HA H 18 5.146 4.794 0.352 1
1 95 . 6 1 1 A 18 18 CYS CB C 18 32.565 30.483 2.082 1
1 97 . 6 1 1 A 18 18 CYS C C 18 176.321 175.749 0.572 1
1 99 . 6 1 1 A 19 19 GLY N N 19 113.718 110.289 3.429 1
1 100 . 6 1 1 A 19 19 GLY H H 19 8.339 8.216 0.123 1
1 101 . 6 1 1 A 19 19 GLY CA C 19 46.154 45.066 1.088 1
1 102 . 6 1 1 A 19 19 GLY HA3 H 19 4.167 4.061 0.106 1
1 103 . 6 1 1 A 19 19 GLY C C 19 173.777 174.456 -0.679 1
1 104 . 6 1 1 A 19 19 GLY HA2 H 19 3.733 4.053 -0.320 1
1 105 . 6 1 1 A 20 20 LYS N N 20 122.244 120.337 1.907 1
1 106 . 6 1 1 A 20 20 LYS H H 20 7.876 7.271 0.605 1
1 107 . 6 1 1 A 20 20 LYS CA C 20 58.108 56.183 1.925 1
1 108 . 6 1 1 A 20 20 LYS HA H 20 3.952 4.133 -0.181 1
1 109 . 6 1 1 A 20 20 LYS CB C 20 33.739 33.788 -0.049 1
1 117 . 6 1 1 A 20 20 LYS C C 20 174.125 175.141 -1.016 1
1 122 . 6 1 1 A 21 21 ASN N N 21 118.989 117.386 1.603 1
1 123 . 6 1 1 A 21 21 ASN H H 21 7.986 8.111 -0.125 1
1 124 . 6 1 1 A 21 21 ASN CA C 21 52.255 51.388 0.867 1
1 125 . 6 1 1 A 21 21 ASN HA H 21 5.260 5.440 -0.180 1
1 126 . 6 1 1 A 21 21 ASN CB C 21 41.894 42.147 -0.253 1
1 131 . 6 1 1 A 21 21 ASN C C 21 173.974 173.515 0.459 1
1 133 . 6 1 1 A 22 22 PHE N N 22 118.357 120.541 -2.184 1
1 134 . 6 1 1 A 22 22 PHE H H 22 8.729 9.068 -0.339 1
1 135 . 6 1 1 A 22 22 PHE CA C 22 57.281 56.320 0.961 1
1 136 . 6 1 1 A 22 22 PHE HA H 22 4.599 4.769 -0.170 1
1 137 . 6 1 1 A 22 22 PHE CB C 22 43.439 40.985 2.454 1
1 149 . 6 1 1 A 22 22 PHE C C 22 175.459 175.770 -0.311 1
1 151 . 6 1 1 A 23 23 CYS CA C 23 60.735 63.024 -2.289 1
1 152 . 6 1 1 A 23 23 CYS HA H 23 4.382 4.258 0.124 1
1 153 . 6 1 1 A 23 23 CYS CB C 23 27.868 27.739 0.129 1
1 155 . 6 1 1 A 23 23 CYS C C 23 173.938 174.473 -0.535 1
1 157 . 6 1 1 A 24 24 TYR N N 24 114.062 115.117 -1.055 1
1 158 . 6 1 1 A 24 24 TYR H H 24 7.375 7.497 -0.122 1
1 159 . 6 1 1 A 24 24 TYR CA C 24 55.792 55.979 -0.187 1
1 160 . 6 1 1 A 24 24 TYR HA H 24 5.006 4.911 0.095 1
1 161 . 6 1 1 A 24 24 TYR CB C 24 41.225 40.370 0.855 1
1 171 . 6 1 1 A 24 24 TYR C C 24 176.484 175.763 0.721 1
1 173 . 6 1 1 A 25 25 ILE N N 25 125.892 123.573 2.319 1
1 174 . 6 1 1 A 25 25 ILE H H 25 8.886 8.727 0.159 1
1 175 . 6 1 1 A 25 25 ILE CA C 25 63.625 64.504 -0.879 1
1 176 . 6 1 1 A 25 25 ILE HA H 25 3.421 3.523 -0.102 1
1 177 . 6 1 1 A 25 25 ILE CB C 25 37.584 37.169 0.415 1
1 189 . 6 1 1 A 25 25 ILE C C 25 177.052 177.617 -0.565 1
1 191 . 6 1 1 A 26 26 SER N N 26 116.283 118.418 -2.135 1
1 192 . 6 1 1 A 26 26 SER H H 26 8.370 8.093 0.277 1
1 193 . 6 1 1 A 26 26 SER CA C 26 60.986 62.148 -1.162 1
1 194 . 6 1 1 A 26 26 SER HA H 26 3.982 4.033 -0.051 1
1 195 . 6 1 1 A 26 26 SER CB C 26 61.572 62.875 -1.303 1
1 197 . 6 1 1 A 26 26 SER C C 26 176.298 176.824 -0.526 1
1 199 . 6 1 1 A 27 27 ALA N N 27 123.029 123.420 -0.391 1
1 200 . 6 1 1 A 27 27 ALA H H 27 6.647 8.002 -1.355 1
1 201 . 6 1 1 A 27 27 ALA CA C 27 54.300 54.972 -0.672 1
1 202 . 6 1 1 A 27 27 ALA HA H 27 4.099 4.172 -0.073 1
1 203 . 6 1 1 A 27 27 ALA CB C 27 19.034 18.109 0.925 1
1 207 . 6 1 1 A 27 27 ALA C C 27 179.963 179.082 0.881 1
1 208 . 6 1 1 A 28 28 LEU N N 28 121.207 119.252 1.955 1
1 209 . 6 1 1 A 28 28 LEU H H 28 7.084 7.312 -0.228 1
1 210 . 6 1 1 A 28 28 LEU CA C 28 57.723 57.126 0.597 1
1 211 . 6 1 1 A 28 28 LEU HA H 28 3.008 2.613 0.395 1
1 212 . 6 1 1 A 28 28 LEU CB C 28 40.253 41.138 -0.885 1
1 224 . 6 1 1 A 28 28 LEU C C 28 177.583 178.384 -0.801 1
1 226 . 6 1 1 A 29 29 ARG N N 29 117.731 118.296 -0.565 1
1 227 . 6 1 1 A 29 29 ARG H H 29 8.183 8.097 0.086 1
1 228 . 6 1 1 A 29 29 ARG CA C 29 58.953 59.687 -0.734 1
1 229 . 6 1 1 A 29 29 ARG HA H 29 4.100 3.904 0.196 1
1 230 . 6 1 1 A 29 29 ARG CB C 29 29.440 29.664 -0.224 1
1 236 . 6 1 1 A 29 29 ARG C C 29 179.718 178.616 1.102 1
1 240 . 6 1 1 A 30 30 ILE N N 30 119.059 119.887 -0.828 1
1 241 . 6 1 1 A 30 30 ILE H H 30 7.480 7.630 -0.150 1
1 242 . 6 1 1 A 30 30 ILE CA C 30 64.651 64.522 0.129 1
1 243 . 6 1 1 A 30 30 ILE HA H 30 3.612 3.683 -0.071 1
1 244 . 6 1 1 A 30 30 ILE CB C 30 38.266 37.209 1.057 1
1 256 . 6 1 1 A 30 30 ILE C C 30 178.844 178.363 0.481 1
1 258 . 6 1 1 A 31 31 HIS N N 31 120.618 120.058 0.560 1
1 259 . 6 1 1 A 31 31 HIS H H 31 7.565 7.786 -0.221 1
1 260 . 6 1 1 A 31 31 HIS CA C 31 59.193 59.852 -0.659 1
1 261 . 6 1 1 A 31 31 HIS HA H 31 4.187 4.207 -0.020 1
1 262 . 6 1 1 A 31 31 HIS CB C 31 28.263 29.832 -1.569 1
1 268 . 6 1 1 A 31 31 HIS C C 31 176.323 177.386 -1.063 1
1 270 . 6 1 1 A 32 32 GLN N N 32 115.336 117.426 -2.090 1
1 271 . 6 1 1 A 32 32 GLN H H 32 8.413 8.401 0.012 1
1 272 . 6 1 1 A 32 32 GLN CA C 32 59.459 59.230 0.229 1
1 273 . 6 1 1 A 32 32 GLN HA H 32 3.578 3.798 -0.220 1
1 274 . 6 1 1 A 32 32 GLN CB C 32 28.370 28.234 0.136 1
1 281 . 6 1 1 A 32 32 GLN C C 32 177.630 178.679 -1.049 1
1 284 . 6 1 1 A 33 33 ARG N N 33 118.205 119.802 -1.597 1
1 285 . 6 1 1 A 33 33 ARG H H 33 7.230 8.021 -0.791 1
1 286 . 6 1 1 A 33 33 ARG CA C 33 58.907 58.989 -0.082 1
1 287 . 6 1 1 A 33 33 ARG HA H 33 4.017 3.933 0.084 1
1 288 . 6 1 1 A 33 33 ARG CB C 33 29.906 29.997 -0.091 1
1 294 . 6 1 1 A 33 33 ARG C C 33 178.998 178.566 0.432 1
1 298 . 6 1 1 A 34 34 VAL N N 34 116.652 116.971 -0.319 1
1 299 . 6 1 1 A 34 34 VAL H H 34 7.929 8.114 -0.185 1
1 300 . 6 1 1 A 34 34 VAL CA C 34 64.172 65.506 -1.334 1
1 301 . 6 1 1 A 34 34 VAL HA H 34 3.849 3.678 0.171 1
1 302 . 6 1 1 A 34 34 VAL CB C 34 31.027 31.242 -0.215 1
1 312 . 6 1 1 A 34 34 VAL C C 34 177.609 178.146 -0.537 1
1 313 . 6 1 1 A 35 35 HIS N N 35 116.579 119.898 -3.319 1
1 314 . 6 1 1 A 35 35 HIS H H 35 7.002 7.945 -0.943 1
1 315 . 6 1 1 A 35 35 HIS CA C 35 54.913 59.021 -4.108 1
1 316 . 6 1 1 A 35 35 HIS HA H 35 4.799 4.216 0.583 1
1 317 . 6 1 1 A 35 35 HIS CB C 35 28.576 30.145 -1.569 1
1 323 . 6 1 1 A 35 35 HIS C C 35 175.666 175.944 -0.278 1
1 325 . 6 1 1 A 36 36 MET N N 36 118.563 117.452 1.111 1
1 326 . 6 1 1 A 36 36 MET H H 36 7.508 7.571 -0.063 1
1 327 . 6 1 1 A 36 36 MET CA C 36 56.556 55.210 1.346 1
1 328 . 6 1 1 A 36 36 MET HA H 36 4.389 4.260 0.129 1
1 329 . 6 1 1 A 36 36 MET CB C 36 32.971 32.515 0.456 1
1 337 . 6 1 1 A 36 36 MET C C 36 176.824 176.126 0.698 1
1 340 . 6 1 1 A 37 37 GLY N N 37 108.831 111.951 -3.120 1
1 341 . 6 1 1 A 37 37 GLY H H 37 8.190 8.980 -0.790 1
1 342 . 6 1 1 A 37 37 GLY CA C 37 45.478 46.517 -1.039 1
1 343 . 6 1 1 A 37 37 GLY HA3 H 37 3.944 3.989 -0.045 1
1 344 . 6 1 1 A 37 37 GLY C C 37 174.378 174.245 0.133 1
1 345 . 6 1 1 A 37 37 GLY HA2 H 37 3.944 3.982 -0.038 1
1 346 . 6 1 1 A 38 38 GLU N N 38 120.546 119.498 1.048 1
1 347 . 6 1 1 A 38 38 GLU H H 38 8.102 7.963 0.139 1
1 348 . 6 1 1 A 38 38 GLU CA C 38 56.637 56.100 0.537 1
1 349 . 6 1 1 A 38 38 GLU HA H 38 4.234 4.346 -0.112 1
1 350 . 6 1 1 A 38 38 GLU CB C 38 30.266 30.613 -0.347 1
1 354 . 6 1 1 A 38 38 GLU C C 38 176.786 176.185 0.601 1
1 357 . 6 1 1 A 39 39 LYS N N 39 121.499 122.698 -1.199 1
1 358 . 6 1 1 A 39 39 LYS H H 39 8.275 8.584 -0.309 1
1 359 . 6 1 1 A 39 39 LYS CA C 39 56.239 55.214 1.025 1
1 360 . 6 1 1 A 39 39 LYS HA H 39 4.318 4.802 -0.484 1
1 361 . 6 1 1 A 39 39 LYS CB C 39 32.798 34.082 -1.284 1
1 369 . 6 1 1 A 39 39 LYS C C 39 176.575 176.077 0.498 1
1 374 . 6 1 1 A 40 40 CYS N N 40 120.323 124.495 -4.172 1
1 375 . 6 1 1 A 40 40 CYS H H 40 8.318 8.629 -0.311 1
1 376 . 6 1 1 A 40 40 CYS CA C 40 58.407 56.947 1.460 1
1 377 . 6 1 1 A 40 40 CYS CB C 40 28.054 30.250 -2.196 1
1 1 . 7 1 1 A 9 9 GLY CA C 9 45.281 45.039 0.242 1
1 2 . 7 1 1 A 9 9 GLY HA3 H 9 3.935 4.008 -0.073 1
1 3 . 7 1 1 A 9 9 GLY C C 9 174.135 172.155 1.980 1
1 4 . 7 1 1 A 9 9 GLY HA2 H 9 3.935 4.008 -0.073 1
1 5 . 7 1 1 A 10 10 GLU N N 10 120.713 121.753 -1.040 1
1 6 . 7 1 1 A 10 10 GLU H H 10 8.248 8.586 -0.338 1
1 7 . 7 1 1 A 10 10 GLU CA C 10 56.650 54.524 2.126 1
1 8 . 7 1 1 A 10 10 GLU HA H 10 4.221 4.805 -0.584 1
1 9 . 7 1 1 A 10 10 GLU CB C 10 30.255 33.304 -3.049 1
1 13 . 7 1 1 A 10 10 GLU C C 10 176.461 175.270 1.191 1
1 16 . 7 1 1 A 11 11 LYS N N 11 122.447 127.799 -5.352 1
1 17 . 7 1 1 A 11 11 LYS H H 11 8.369 8.530 -0.161 1
1 18 . 7 1 1 A 11 11 LYS CA C 11 55.860 57.043 -1.183 1
1 19 . 7 1 1 A 11 11 LYS HA H 11 4.251 4.279 -0.028 1
1 20 . 7 1 1 A 11 11 LYS CB C 11 32.853 32.543 0.310 1
1 28 . 7 1 1 A 11 11 LYS C C 11 175.765 175.383 0.382 1
1 33 . 7 1 1 A 12 12 SER N N 12 115.851 119.952 -4.101 1
1 34 . 7 1 1 A 12 12 SER H H 12 7.899 8.425 -0.526 1
1 35 . 7 1 1 A 12 12 SER CA C 12 58.089 57.826 0.263 1
1 36 . 7 1 1 A 12 12 SER HA H 12 4.334 4.967 -0.633 1
1 37 . 7 1 1 A 12 12 SER CB C 12 64.118 65.861 -1.743 1
1 39 . 7 1 1 A 12 12 SER C C 12 173.004 172.920 0.084 1
1 41 . 7 1 1 A 13 13 HIS N N 13 122.321 124.573 -2.252 1
1 42 . 7 1 1 A 13 13 HIS H H 13 8.450 8.168 0.282 1
1 43 . 7 1 1 A 13 13 HIS CA C 13 55.542 56.619 -1.077 1
1 44 . 7 1 1 A 13 13 HIS HA H 13 4.711 4.702 0.009 1
1 45 . 7 1 1 A 13 13 HIS CB C 13 31.777 29.554 2.223 1
1 51 . 7 1 1 A 13 13 HIS C C 13 174.797 175.083 -0.286 1
1 53 . 7 1 1 A 14 14 THR N N 14 120.690 119.419 1.271 1
1 54 . 7 1 1 A 14 14 THR H H 14 8.703 9.035 -0.332 1
1 55 . 7 1 1 A 14 14 THR CA C 14 61.874 61.383 0.491 1
1 56 . 7 1 1 A 14 14 THR HA H 14 4.977 5.137 -0.160 1
1 57 . 7 1 1 A 14 14 THR CB C 14 71.173 70.725 0.448 1
1 63 . 7 1 1 A 14 14 THR C C 14 173.574 173.503 0.071 1
1 64 . 7 1 1 A 15 15 CYS N N 15 127.944 125.221 2.723 1
1 65 . 7 1 1 A 15 15 CYS H H 15 9.190 8.774 0.416 1
1 66 . 7 1 1 A 15 15 CYS CA C 15 59.578 59.603 -0.025 1
1 67 . 7 1 1 A 15 15 CYS HA H 15 4.496 4.639 -0.143 1
1 68 . 7 1 1 A 15 15 CYS CB C 15 29.551 28.617 0.934 1
1 70 . 7 1 1 A 15 15 CYS C C 15 176.421 176.072 0.349 1
1 72 . 7 1 1 A 16 16 ASP N N 16 132.096 128.491 3.605 1
1 73 . 7 1 1 A 16 16 ASP H H 16 9.243 9.001 0.242 1
1 74 . 7 1 1 A 16 16 ASP CA C 16 56.482 56.276 0.206 1
1 75 . 7 1 1 A 16 16 ASP HA H 16 4.397 4.536 -0.139 1
1 76 . 7 1 1 A 16 16 ASP CB C 16 40.687 40.467 0.220 1
1 78 . 7 1 1 A 16 16 ASP C C 16 176.308 178.227 -1.919 1
1 80 . 7 1 1 A 17 17 GLU N N 17 120.252 119.224 1.028 1
1 81 . 7 1 1 A 17 17 GLU H H 17 8.524 8.060 0.464 1
1 82 . 7 1 1 A 17 17 GLU CA C 17 58.336 59.052 -0.716 1
1 83 . 7 1 1 A 17 17 GLU HA H 17 4.181 3.900 0.281 1
1 84 . 7 1 1 A 17 17 GLU CB C 17 29.651 29.181 0.470 1
1 88 . 7 1 1 A 17 17 GLU C C 17 177.189 178.112 -0.923 1
1 91 . 7 1 1 A 18 18 CYS N N 18 114.371 114.891 -0.520 1
1 92 . 7 1 1 A 18 18 CYS H H 18 7.834 7.908 -0.074 1
1 93 . 7 1 1 A 18 18 CYS CA C 18 58.344 59.524 -1.180 1
1 94 . 7 1 1 A 18 18 CYS HA H 18 5.146 4.797 0.349 1
1 95 . 7 1 1 A 18 18 CYS CB C 18 32.565 30.518 2.047 1
1 97 . 7 1 1 A 18 18 CYS C C 18 176.321 175.589 0.732 1
1 99 . 7 1 1 A 19 19 GLY N N 19 113.718 110.130 3.588 1
1 100 . 7 1 1 A 19 19 GLY H H 19 8.339 8.204 0.135 1
1 101 . 7 1 1 A 19 19 GLY CA C 19 46.154 45.226 0.928 1
1 102 . 7 1 1 A 19 19 GLY HA3 H 19 4.167 4.066 0.101 1
1 103 . 7 1 1 A 19 19 GLY C C 19 173.777 174.537 -0.760 1
1 104 . 7 1 1 A 19 19 GLY HA2 H 19 3.733 4.060 -0.327 1
1 105 . 7 1 1 A 20 20 LYS N N 20 122.244 119.567 2.677 1
1 106 . 7 1 1 A 20 20 LYS H H 20 7.876 7.769 0.107 1
1 107 . 7 1 1 A 20 20 LYS CA C 20 58.108 55.546 2.562 1
1 108 . 7 1 1 A 20 20 LYS HA H 20 3.952 4.382 -0.430 1
1 109 . 7 1 1 A 20 20 LYS CB C 20 33.739 34.233 -0.494 1
1 117 . 7 1 1 A 20 20 LYS C C 20 174.125 174.955 -0.830 1
1 122 . 7 1 1 A 21 21 ASN N N 21 118.989 119.178 -0.189 1
1 123 . 7 1 1 A 21 21 ASN H H 21 7.986 8.068 -0.082 1
1 124 . 7 1 1 A 21 21 ASN CA C 21 52.255 51.523 0.732 1
1 125 . 7 1 1 A 21 21 ASN HA H 21 5.260 5.358 -0.098 1
1 126 . 7 1 1 A 21 21 ASN CB C 21 41.894 42.327 -0.433 1
1 131 . 7 1 1 A 21 21 ASN C C 21 173.974 172.886 1.088 1
1 133 . 7 1 1 A 22 22 PHE N N 22 118.357 121.370 -3.013 1
1 134 . 7 1 1 A 22 22 PHE H H 22 8.729 8.698 0.031 1
1 135 . 7 1 1 A 22 22 PHE CA C 22 57.281 56.361 0.920 1
1 136 . 7 1 1 A 22 22 PHE HA H 22 4.599 4.805 -0.206 1
1 137 . 7 1 1 A 22 22 PHE CB C 22 43.439 41.213 2.226 1
1 149 . 7 1 1 A 22 22 PHE C C 22 175.459 175.679 -0.220 1
1 151 . 7 1 1 A 23 23 CYS CA C 23 60.735 63.157 -2.422 1
1 152 . 7 1 1 A 23 23 CYS HA H 23 4.382 4.307 0.075 1
1 153 . 7 1 1 A 23 23 CYS CB C 23 27.868 27.912 -0.044 1
1 155 . 7 1 1 A 23 23 CYS C C 23 173.938 175.333 -1.395 1
1 157 . 7 1 1 A 24 24 TYR N N 24 114.062 118.591 -4.529 1
1 158 . 7 1 1 A 24 24 TYR H H 24 7.375 7.590 -0.215 1
1 159 . 7 1 1 A 24 24 TYR CA C 24 55.792 56.015 -0.223 1
1 160 . 7 1 1 A 24 24 TYR HA H 24 5.006 4.860 0.146 1
1 161 . 7 1 1 A 24 24 TYR CB C 24 41.225 40.199 1.026 1
1 171 . 7 1 1 A 24 24 TYR C C 24 176.484 175.532 0.952 1
1 173 . 7 1 1 A 25 25 ILE N N 25 125.892 124.051 1.841 1
1 174 . 7 1 1 A 25 25 ILE H H 25 8.886 8.384 0.502 1
1 175 . 7 1 1 A 25 25 ILE CA C 25 63.625 64.169 -0.544 1
1 176 . 7 1 1 A 25 25 ILE HA H 25 3.421 3.270 0.151 1
1 177 . 7 1 1 A 25 25 ILE CB C 25 37.584 37.278 0.306 1
1 189 . 7 1 1 A 25 25 ILE C C 25 177.052 177.524 -0.472 1
1 191 . 7 1 1 A 26 26 SER N N 26 116.283 118.272 -1.989 1
1 192 . 7 1 1 A 26 26 SER H H 26 8.370 7.994 0.376 1
1 193 . 7 1 1 A 26 26 SER CA C 26 60.986 62.000 -1.014 1
1 194 . 7 1 1 A 26 26 SER HA H 26 3.982 4.009 -0.027 1
1 195 . 7 1 1 A 26 26 SER CB C 26 61.572 62.876 -1.304 1
1 197 . 7 1 1 A 26 26 SER C C 26 176.298 176.797 -0.499 1
1 199 . 7 1 1 A 27 27 ALA N N 27 123.029 123.335 -0.306 1
1 200 . 7 1 1 A 27 27 ALA H H 27 6.647 8.116 -1.469 1
1 201 . 7 1 1 A 27 27 ALA CA C 27 54.300 54.947 -0.647 1
1 202 . 7 1 1 A 27 27 ALA HA H 27 4.099 4.158 -0.059 1
1 203 . 7 1 1 A 27 27 ALA CB C 27 19.034 18.070 0.964 1
1 207 . 7 1 1 A 27 27 ALA C C 27 179.963 178.995 0.968 1
1 208 . 7 1 1 A 28 28 LEU N N 28 121.207 119.243 1.964 1
1 209 . 7 1 1 A 28 28 LEU H H 28 7.084 7.273 -0.189 1
1 210 . 7 1 1 A 28 28 LEU CA C 28 57.723 57.298 0.425 1
1 211 . 7 1 1 A 28 28 LEU HA H 28 3.008 2.704 0.304 1
1 212 . 7 1 1 A 28 28 LEU CB C 28 40.253 41.238 -0.985 1
1 224 . 7 1 1 A 28 28 LEU C C 28 177.583 178.403 -0.820 1
1 226 . 7 1 1 A 29 29 ARG N N 29 117.731 118.222 -0.491 1
1 227 . 7 1 1 A 29 29 ARG H H 29 8.183 8.057 0.126 1
1 228 . 7 1 1 A 29 29 ARG CA C 29 58.953 59.704 -0.751 1
1 229 . 7 1 1 A 29 29 ARG HA H 29 4.100 3.911 0.189 1
1 230 . 7 1 1 A 29 29 ARG CB C 29 29.440 29.670 -0.230 1
1 236 . 7 1 1 A 29 29 ARG C C 29 179.718 178.658 1.060 1
1 240 . 7 1 1 A 30 30 ILE N N 30 119.059 120.443 -1.384 1
1 241 . 7 1 1 A 30 30 ILE H H 30 7.480 7.577 -0.097 1
1 242 . 7 1 1 A 30 30 ILE CA C 30 64.651 65.083 -0.432 1
1 243 . 7 1 1 A 30 30 ILE HA H 30 3.612 3.633 -0.021 1
1 244 . 7 1 1 A 30 30 ILE CB C 30 38.266 37.722 0.544 1
1 256 . 7 1 1 A 30 30 ILE C C 30 178.844 178.306 0.538 1
1 258 . 7 1 1 A 31 31 HIS N N 31 120.618 119.848 0.770 1
1 259 . 7 1 1 A 31 31 HIS H H 31 7.565 8.151 -0.586 1
1 260 . 7 1 1 A 31 31 HIS CA C 31 59.193 60.218 -1.025 1
1 261 . 7 1 1 A 31 31 HIS HA H 31 4.187 4.125 0.062 1
1 262 . 7 1 1 A 31 31 HIS CB C 31 28.263 29.618 -1.355 1
1 268 . 7 1 1 A 31 31 HIS C C 31 176.323 177.095 -0.772 1
1 270 . 7 1 1 A 32 32 GLN N N 32 115.336 117.274 -1.938 1
1 271 . 7 1 1 A 32 32 GLN H H 32 8.413 8.465 -0.052 1
1 272 . 7 1 1 A 32 32 GLN CA C 32 59.459 59.138 0.321 1
1 273 . 7 1 1 A 32 32 GLN HA H 32 3.578 3.811 -0.233 1
1 274 . 7 1 1 A 32 32 GLN CB C 32 28.370 28.227 0.143 1
1 281 . 7 1 1 A 32 32 GLN C C 32 177.630 178.650 -1.020 1
1 284 . 7 1 1 A 33 33 ARG N N 33 118.205 120.054 -1.849 1
1 285 . 7 1 1 A 33 33 ARG H H 33 7.230 8.024 -0.794 1
1 286 . 7 1 1 A 33 33 ARG CA C 33 58.907 58.999 -0.092 1
1 287 . 7 1 1 A 33 33 ARG HA H 33 4.017 3.936 0.081 1
1 288 . 7 1 1 A 33 33 ARG CB C 33 29.906 29.980 -0.074 1
1 294 . 7 1 1 A 33 33 ARG C C 33 178.998 178.634 0.364 1
1 298 . 7 1 1 A 34 34 VAL N N 34 116.652 117.066 -0.414 1
1 299 . 7 1 1 A 34 34 VAL H H 34 7.929 7.954 -0.025 1
1 300 . 7 1 1 A 34 34 VAL CA C 34 64.172 65.531 -1.359 1
1 301 . 7 1 1 A 34 34 VAL HA H 34 3.849 3.683 0.166 1
1 302 . 7 1 1 A 34 34 VAL CB C 34 31.027 31.228 -0.201 1
1 312 . 7 1 1 A 34 34 VAL C C 34 177.609 177.675 -0.066 1
1 313 . 7 1 1 A 35 35 HIS N N 35 116.579 120.138 -3.559 1
1 314 . 7 1 1 A 35 35 HIS H H 35 7.002 8.223 -1.221 1
1 315 . 7 1 1 A 35 35 HIS CA C 35 54.913 58.120 -3.207 1
1 316 . 7 1 1 A 35 35 HIS HA H 35 4.799 4.531 0.268 1
1 317 . 7 1 1 A 35 35 HIS CB C 35 28.576 29.219 -0.643 1
1 323 . 7 1 1 A 35 35 HIS C C 35 175.666 176.353 -0.687 1
1 325 . 7 1 1 A 36 36 MET N N 36 118.563 116.471 2.092 1
1 326 . 7 1 1 A 36 36 MET H H 36 7.508 7.937 -0.429 1
1 327 . 7 1 1 A 36 36 MET CA C 36 56.556 55.707 0.849 1
1 328 . 7 1 1 A 36 36 MET HA H 36 4.389 4.483 -0.094 1
1 329 . 7 1 1 A 36 36 MET CB C 36 32.971 33.270 -0.299 1
1 337 . 7 1 1 A 36 36 MET C C 36 176.824 176.218 0.606 1
1 340 . 7 1 1 A 37 37 GLY N N 37 108.831 106.772 2.059 1
1 341 . 7 1 1 A 37 37 GLY H H 37 8.190 8.047 0.143 1
1 342 . 7 1 1 A 37 37 GLY CA C 37 45.478 45.003 0.475 1
1 343 . 7 1 1 A 37 37 GLY HA3 H 37 3.944 3.985 -0.041 1
1 344 . 7 1 1 A 37 37 GLY C C 37 174.378 173.106 1.272 1
1 345 . 7 1 1 A 37 37 GLY HA2 H 37 3.944 3.977 -0.033 1
1 346 . 7 1 1 A 38 38 GLU N N 38 120.546 120.597 -0.051 1
1 347 . 7 1 1 A 38 38 GLU H H 38 8.102 8.569 -0.467 1
1 348 . 7 1 1 A 38 38 GLU CA C 38 56.637 54.851 1.786 1
1 349 . 7 1 1 A 38 38 GLU HA H 38 4.234 4.502 -0.268 1
1 350 . 7 1 1 A 38 38 GLU CB C 38 30.266 29.231 1.035 1
1 354 . 7 1 1 A 38 38 GLU C C 38 176.786 175.146 1.640 1
1 357 . 7 1 1 A 39 39 LYS N N 39 121.499 124.287 -2.788 1
1 358 . 7 1 1 A 39 39 LYS H H 39 8.275 7.885 0.390 1
1 359 . 7 1 1 A 39 39 LYS CA C 39 56.239 57.527 -1.288 1
1 360 . 7 1 1 A 39 39 LYS HA H 39 4.318 4.104 0.214 1
1 361 . 7 1 1 A 39 39 LYS CB C 39 32.798 32.666 0.132 1
1 369 . 7 1 1 A 39 39 LYS C C 39 176.575 176.078 0.497 1
1 374 . 7 1 1 A 40 40 CYS N N 40 120.323 124.551 -4.228 1
1 375 . 7 1 1 A 40 40 CYS H H 40 8.318 8.521 -0.203 1
1 376 . 7 1 1 A 40 40 CYS CA C 40 58.407 57.420 0.987 1
1 377 . 7 1 1 A 40 40 CYS CB C 40 28.054 28.539 -0.485 1
1 1 . 8 1 1 A 9 9 GLY CA C 9 45.281 45.452 -0.171 1
1 2 . 8 1 1 A 9 9 GLY HA3 H 9 3.935 4.225 -0.290 1
1 3 . 8 1 1 A 9 9 GLY C C 9 174.135 172.158 1.977 1
1 4 . 8 1 1 A 9 9 GLY HA2 H 9 3.935 4.223 -0.288 1
1 5 . 8 1 1 A 10 10 GLU N N 10 120.713 125.323 -4.610 1
1 6 . 8 1 1 A 10 10 GLU H H 10 8.248 8.981 -0.733 1
1 7 . 8 1 1 A 10 10 GLU CA C 10 56.650 54.395 2.255 1
1 8 . 8 1 1 A 10 10 GLU HA H 10 4.221 4.929 -0.708 1
1 9 . 8 1 1 A 10 10 GLU CB C 10 30.255 33.234 -2.979 1
1 13 . 8 1 1 A 10 10 GLU C C 10 176.461 175.269 1.192 1
1 16 . 8 1 1 A 11 11 LYS N N 11 122.447 122.944 -0.497 1
1 17 . 8 1 1 A 11 11 LYS H H 11 8.369 8.523 -0.154 1
1 18 . 8 1 1 A 11 11 LYS CA C 11 55.860 56.208 -0.348 1
1 19 . 8 1 1 A 11 11 LYS HA H 11 4.251 4.380 -0.129 1
1 20 . 8 1 1 A 11 11 LYS CB C 11 32.853 31.202 1.651 1
1 28 . 8 1 1 A 11 11 LYS C C 11 175.765 174.867 0.898 1
1 33 . 8 1 1 A 12 12 SER N N 12 115.851 114.669 1.182 1
1 34 . 8 1 1 A 12 12 SER H H 12 7.899 7.512 0.387 1
1 35 . 8 1 1 A 12 12 SER CA C 12 58.089 57.555 0.534 1
1 36 . 8 1 1 A 12 12 SER HA H 12 4.334 4.833 -0.499 1
1 37 . 8 1 1 A 12 12 SER CB C 12 64.118 66.903 -2.785 1
1 39 . 8 1 1 A 12 12 SER C C 12 173.004 173.130 -0.126 1
1 41 . 8 1 1 A 13 13 HIS N N 13 122.321 122.582 -0.261 1
1 42 . 8 1 1 A 13 13 HIS H H 13 8.450 8.434 0.016 1
1 43 . 8 1 1 A 13 13 HIS CA C 13 55.542 57.651 -2.109 1
1 44 . 8 1 1 A 13 13 HIS HA H 13 4.711 4.580 0.131 1
1 45 . 8 1 1 A 13 13 HIS CB C 13 31.777 30.124 1.653 1
1 51 . 8 1 1 A 13 13 HIS C C 13 174.797 175.413 -0.616 1
1 53 . 8 1 1 A 14 14 THR N N 14 120.690 118.490 2.200 1
1 54 . 8 1 1 A 14 14 THR H H 14 8.703 9.028 -0.325 1
1 55 . 8 1 1 A 14 14 THR CA C 14 61.874 61.257 0.617 1
1 56 . 8 1 1 A 14 14 THR HA H 14 4.977 4.948 0.029 1
1 57 . 8 1 1 A 14 14 THR CB C 14 71.173 71.217 -0.044 1
1 63 . 8 1 1 A 14 14 THR C C 14 173.574 173.611 -0.037 1
1 64 . 8 1 1 A 15 15 CYS N N 15 127.944 125.275 2.669 1
1 65 . 8 1 1 A 15 15 CYS H H 15 9.190 9.245 -0.055 1
1 66 . 8 1 1 A 15 15 CYS CA C 15 59.578 59.323 0.255 1
1 67 . 8 1 1 A 15 15 CYS HA H 15 4.496 4.630 -0.134 1
1 68 . 8 1 1 A 15 15 CYS CB C 15 29.551 28.376 1.175 1
1 70 . 8 1 1 A 15 15 CYS C C 15 176.421 175.983 0.438 1
1 72 . 8 1 1 A 16 16 ASP N N 16 132.096 128.303 3.793 1
1 73 . 8 1 1 A 16 16 ASP H H 16 9.243 9.155 0.088 1
1 74 . 8 1 1 A 16 16 ASP CA C 16 56.482 56.074 0.408 1
1 75 . 8 1 1 A 16 16 ASP HA H 16 4.397 4.569 -0.172 1
1 76 . 8 1 1 A 16 16 ASP CB C 16 40.687 40.369 0.318 1
1 78 . 8 1 1 A 16 16 ASP C C 16 176.308 178.143 -1.835 1
1 80 . 8 1 1 A 17 17 GLU N N 17 120.252 118.703 1.549 1
1 81 . 8 1 1 A 17 17 GLU H H 17 8.524 7.926 0.598 1
1 82 . 8 1 1 A 17 17 GLU CA C 17 58.336 59.048 -0.712 1
1 83 . 8 1 1 A 17 17 GLU HA H 17 4.181 3.969 0.212 1
1 84 . 8 1 1 A 17 17 GLU CB C 17 29.651 29.280 0.371 1
1 88 . 8 1 1 A 17 17 GLU C C 17 177.189 177.961 -0.772 1
1 91 . 8 1 1 A 18 18 CYS N N 18 114.371 114.751 -0.380 1
1 92 . 8 1 1 A 18 18 CYS H H 18 7.834 7.840 -0.006 1
1 93 . 8 1 1 A 18 18 CYS CA C 18 58.344 59.442 -1.098 1
1 94 . 8 1 1 A 18 18 CYS HA H 18 5.146 4.788 0.358 1
1 95 . 8 1 1 A 18 18 CYS CB C 18 32.565 30.406 2.159 1
1 97 . 8 1 1 A 18 18 CYS C C 18 176.321 175.781 0.540 1
1 99 . 8 1 1 A 19 19 GLY N N 19 113.718 109.883 3.835 1
1 100 . 8 1 1 A 19 19 GLY H H 19 8.339 8.172 0.167 1
1 101 . 8 1 1 A 19 19 GLY CA C 19 46.154 45.009 1.145 1
1 102 . 8 1 1 A 19 19 GLY HA3 H 19 4.167 4.068 0.099 1
1 103 . 8 1 1 A 19 19 GLY C C 19 173.777 174.482 -0.705 1
1 104 . 8 1 1 A 19 19 GLY HA2 H 19 3.733 4.062 -0.329 1
1 105 . 8 1 1 A 20 20 LYS N N 20 122.244 120.297 1.947 1
1 106 . 8 1 1 A 20 20 LYS H H 20 7.876 7.263 0.613 1
1 107 . 8 1 1 A 20 20 LYS CA C 20 58.108 56.216 1.892 1
1 108 . 8 1 1 A 20 20 LYS HA H 20 3.952 4.109 -0.157 1
1 109 . 8 1 1 A 20 20 LYS CB C 20 33.739 33.557 0.182 1
1 117 . 8 1 1 A 20 20 LYS C C 20 174.125 175.022 -0.897 1
1 122 . 8 1 1 A 21 21 ASN N N 21 118.989 117.844 1.145 1
1 123 . 8 1 1 A 21 21 ASN H H 21 7.986 8.135 -0.149 1
1 124 . 8 1 1 A 21 21 ASN CA C 21 52.255 51.546 0.709 1
1 125 . 8 1 1 A 21 21 ASN HA H 21 5.260 5.465 -0.205 1
1 126 . 8 1 1 A 21 21 ASN CB C 21 41.894 41.811 0.083 1
1 131 . 8 1 1 A 21 21 ASN C C 21 173.974 173.365 0.609 1
1 133 . 8 1 1 A 22 22 PHE N N 22 118.357 120.695 -2.338 1
1 134 . 8 1 1 A 22 22 PHE H H 22 8.729 9.196 -0.467 1
1 135 . 8 1 1 A 22 22 PHE CA C 22 57.281 56.234 1.047 1
1 136 . 8 1 1 A 22 22 PHE HA H 22 4.599 4.841 -0.242 1
1 137 . 8 1 1 A 22 22 PHE CB C 22 43.439 40.831 2.608 1
1 149 . 8 1 1 A 22 22 PHE C C 22 175.459 175.855 -0.396 1
1 151 . 8 1 1 A 23 23 CYS CA C 23 60.735 62.986 -2.251 1
1 152 . 8 1 1 A 23 23 CYS HA H 23 4.382 4.348 0.034 1
1 153 . 8 1 1 A 23 23 CYS CB C 23 27.868 27.950 -0.082 1
1 155 . 8 1 1 A 23 23 CYS C C 23 173.938 175.091 -1.153 1
1 157 . 8 1 1 A 24 24 TYR N N 24 114.062 118.337 -4.275 1
1 158 . 8 1 1 A 24 24 TYR H H 24 7.375 7.512 -0.137 1
1 159 . 8 1 1 A 24 24 TYR CA C 24 55.792 55.983 -0.191 1
1 160 . 8 1 1 A 24 24 TYR HA H 24 5.006 4.953 0.053 1
1 161 . 8 1 1 A 24 24 TYR CB C 24 41.225 40.863 0.362 1
1 171 . 8 1 1 A 24 24 TYR C C 24 176.484 175.827 0.657 1
1 173 . 8 1 1 A 25 25 ILE N N 25 125.892 122.784 3.108 1
1 174 . 8 1 1 A 25 25 ILE H H 25 8.886 8.573 0.313 1
1 175 . 8 1 1 A 25 25 ILE CA C 25 63.625 64.313 -0.688 1
1 176 . 8 1 1 A 25 25 ILE HA H 25 3.421 3.255 0.166 1
1 177 . 8 1 1 A 25 25 ILE CB C 25 37.584 36.912 0.672 1
1 189 . 8 1 1 A 25 25 ILE C C 25 177.052 176.837 0.215 1
1 191 . 8 1 1 A 26 26 SER N N 26 116.283 116.726 -0.443 1
1 192 . 8 1 1 A 26 26 SER H H 26 8.370 8.126 0.244 1
1 193 . 8 1 1 A 26 26 SER CA C 26 60.986 61.649 -0.663 1
1 194 . 8 1 1 A 26 26 SER HA H 26 3.982 3.972 0.010 1
1 195 . 8 1 1 A 26 26 SER CB C 26 61.572 63.111 -1.539 1
1 197 . 8 1 1 A 26 26 SER C C 26 176.298 177.066 -0.768 1
1 199 . 8 1 1 A 27 27 ALA N N 27 123.029 123.733 -0.704 1
1 200 . 8 1 1 A 27 27 ALA H H 27 6.647 7.826 -1.179 1
1 201 . 8 1 1 A 27 27 ALA CA C 27 54.300 55.051 -0.751 1
1 202 . 8 1 1 A 27 27 ALA HA H 27 4.099 4.098 0.001 1
1 203 . 8 1 1 A 27 27 ALA CB C 27 19.034 17.782 1.252 1
1 207 . 8 1 1 A 27 27 ALA C C 27 179.963 179.034 0.929 1
1 208 . 8 1 1 A 28 28 LEU N N 28 121.207 119.173 2.034 1
1 209 . 8 1 1 A 28 28 LEU H H 28 7.084 7.264 -0.180 1
1 210 . 8 1 1 A 28 28 LEU CA C 28 57.723 57.112 0.611 1
1 211 . 8 1 1 A 28 28 LEU HA H 28 3.008 2.730 0.278 1
1 212 . 8 1 1 A 28 28 LEU CB C 28 40.253 41.143 -0.890 1
1 224 . 8 1 1 A 28 28 LEU C C 28 177.583 178.446 -0.863 1
1 226 . 8 1 1 A 29 29 ARG N N 29 117.731 118.166 -0.435 1
1 227 . 8 1 1 A 29 29 ARG H H 29 8.183 8.083 0.100 1
1 228 . 8 1 1 A 29 29 ARG CA C 29 58.953 59.695 -0.742 1
1 229 . 8 1 1 A 29 29 ARG HA H 29 4.100 3.920 0.180 1
1 230 . 8 1 1 A 29 29 ARG CB C 29 29.440 29.623 -0.183 1
1 236 . 8 1 1 A 29 29 ARG C C 29 179.718 178.645 1.073 1
1 240 . 8 1 1 A 30 30 ILE N N 30 119.059 119.696 -0.637 1
1 241 . 8 1 1 A 30 30 ILE H H 30 7.480 7.706 -0.226 1
1 242 . 8 1 1 A 30 30 ILE CA C 30 64.651 64.989 -0.338 1
1 243 . 8 1 1 A 30 30 ILE HA H 30 3.612 3.643 -0.031 1
1 244 . 8 1 1 A 30 30 ILE CB C 30 38.266 37.556 0.710 1
1 256 . 8 1 1 A 30 30 ILE C C 30 178.844 178.384 0.460 1
1 258 . 8 1 1 A 31 31 HIS N N 31 120.618 120.089 0.529 1
1 259 . 8 1 1 A 31 31 HIS H H 31 7.565 7.911 -0.346 1
1 260 . 8 1 1 A 31 31 HIS CA C 31 59.193 59.705 -0.512 1
1 261 . 8 1 1 A 31 31 HIS HA H 31 4.187 4.120 0.067 1
1 262 . 8 1 1 A 31 31 HIS CB C 31 28.263 29.726 -1.463 1
1 268 . 8 1 1 A 31 31 HIS C C 31 176.323 177.717 -1.394 1
1 270 . 8 1 1 A 32 32 GLN N N 32 115.336 118.238 -2.902 1
1 271 . 8 1 1 A 32 32 GLN H H 32 8.413 8.348 0.065 1
1 272 . 8 1 1 A 32 32 GLN CA C 32 59.459 58.953 0.506 1
1 273 . 8 1 1 A 32 32 GLN HA H 32 3.578 3.846 -0.268 1
1 274 . 8 1 1 A 32 32 GLN CB C 32 28.370 28.328 0.042 1
1 281 . 8 1 1 A 32 32 GLN C C 32 177.630 178.820 -1.190 1
1 284 . 8 1 1 A 33 33 ARG N N 33 118.205 120.042 -1.837 1
1 285 . 8 1 1 A 33 33 ARG H H 33 7.230 8.124 -0.894 1
1 286 . 8 1 1 A 33 33 ARG CA C 33 58.907 58.864 0.043 1
1 287 . 8 1 1 A 33 33 ARG HA H 33 4.017 4.045 -0.028 1
1 288 . 8 1 1 A 33 33 ARG CB C 33 29.906 30.112 -0.206 1
1 294 . 8 1 1 A 33 33 ARG C C 33 178.998 178.943 0.055 1
1 298 . 8 1 1 A 34 34 VAL N N 34 116.652 116.538 0.114 1
1 299 . 8 1 1 A 34 34 VAL H H 34 7.929 7.496 0.433 1
1 300 . 8 1 1 A 34 34 VAL CA C 34 64.172 65.096 -0.924 1
1 301 . 8 1 1 A 34 34 VAL HA H 34 3.849 3.775 0.074 1
1 302 . 8 1 1 A 34 34 VAL CB C 34 31.027 31.073 -0.046 1
1 312 . 8 1 1 A 34 34 VAL C C 34 177.609 176.545 1.064 1
1 313 . 8 1 1 A 35 35 HIS N N 35 116.579 119.286 -2.707 1
1 314 . 8 1 1 A 35 35 HIS H H 35 7.002 7.683 -0.681 1
1 315 . 8 1 1 A 35 35 HIS CA C 35 54.913 55.873 -0.960 1
1 316 . 8 1 1 A 35 35 HIS HA H 35 4.799 4.610 0.189 1
1 317 . 8 1 1 A 35 35 HIS CB C 35 28.576 29.166 -0.590 1
1 323 . 8 1 1 A 35 35 HIS C C 35 175.666 174.543 1.123 1
1 325 . 8 1 1 A 36 36 MET N N 36 118.563 118.922 -0.359 1
1 326 . 8 1 1 A 36 36 MET H H 36 7.508 7.289 0.219 1
1 327 . 8 1 1 A 36 36 MET CA C 36 56.556 54.304 2.252 1
1 328 . 8 1 1 A 36 36 MET HA H 36 4.389 4.799 -0.410 1
1 329 . 8 1 1 A 36 36 MET CB C 36 32.971 34.446 -1.475 1
1 337 . 8 1 1 A 36 36 MET C C 36 176.824 176.016 0.808 1
1 340 . 8 1 1 A 37 37 GLY N N 37 108.831 108.359 0.472 1
1 341 . 8 1 1 A 37 37 GLY H H 37 8.190 8.435 -0.245 1
1 342 . 8 1 1 A 37 37 GLY CA C 37 45.478 44.234 1.244 1
1 343 . 8 1 1 A 37 37 GLY HA3 H 37 3.944 4.200 -0.256 1
1 344 . 8 1 1 A 37 37 GLY C C 37 174.378 173.760 0.618 1
1 345 . 8 1 1 A 37 37 GLY HA2 H 37 3.944 4.195 -0.251 1
1 346 . 8 1 1 A 38 38 GLU N N 38 120.546 119.820 0.726 1
1 347 . 8 1 1 A 38 38 GLU H H 38 8.102 8.505 -0.403 1
1 348 . 8 1 1 A 38 38 GLU CA C 38 56.637 56.758 -0.121 1
1 349 . 8 1 1 A 38 38 GLU HA H 38 4.234 4.247 -0.013 1
1 350 . 8 1 1 A 38 38 GLU CB C 38 30.266 29.768 0.498 1
1 354 . 8 1 1 A 38 38 GLU C C 38 176.786 175.706 1.080 1
1 357 . 8 1 1 A 39 39 LYS N N 39 121.499 125.526 -4.027 1
1 358 . 8 1 1 A 39 39 LYS H H 39 8.275 8.598 -0.323 1
1 359 . 8 1 1 A 39 39 LYS CA C 39 56.239 54.878 1.361 1
1 360 . 8 1 1 A 39 39 LYS HA H 39 4.318 4.840 -0.522 1
1 361 . 8 1 1 A 39 39 LYS CB C 39 32.798 34.074 -1.276 1
1 369 . 8 1 1 A 39 39 LYS C C 39 176.575 175.169 1.406 1
1 374 . 8 1 1 A 40 40 CYS N N 40 120.323 126.222 -5.899 1
1 375 . 8 1 1 A 40 40 CYS H H 40 8.318 8.976 -0.658 1
1 376 . 8 1 1 A 40 40 CYS CA C 40 58.407 57.366 1.041 1
1 377 . 8 1 1 A 40 40 CYS CB C 40 28.054 30.279 -2.225 1
1 1 . 9 1 1 A 9 9 GLY CA C 9 45.281 45.521 -0.240 1
1 2 . 9 1 1 A 9 9 GLY HA3 H 9 3.935 4.014 -0.079 1
1 3 . 9 1 1 A 9 9 GLY C C 9 174.135 174.160 -0.025 1
1 4 . 9 1 1 A 9 9 GLY HA2 H 9 3.935 4.014 -0.079 1
1 5 . 9 1 1 A 10 10 GLU N N 10 120.713 121.374 -0.661 1
1 6 . 9 1 1 A 10 10 GLU H H 10 8.248 7.850 0.398 1
1 7 . 9 1 1 A 10 10 GLU CA C 10 56.650 54.737 1.913 1
1 8 . 9 1 1 A 10 10 GLU HA H 10 4.221 4.635 -0.414 1
1 9 . 9 1 1 A 10 10 GLU CB C 10 30.255 32.187 -1.932 1
1 13 . 9 1 1 A 10 10 GLU C C 10 176.461 175.714 0.747 1
1 16 . 9 1 1 A 11 11 LYS N N 11 122.447 125.725 -3.278 1
1 17 . 9 1 1 A 11 11 LYS H H 11 8.369 8.459 -0.090 1
1 18 . 9 1 1 A 11 11 LYS CA C 11 55.860 55.914 -0.054 1
1 19 . 9 1 1 A 11 11 LYS HA H 11 4.251 4.404 -0.153 1
1 20 . 9 1 1 A 11 11 LYS CB C 11 32.853 31.549 1.304 1
1 28 . 9 1 1 A 11 11 LYS C C 11 175.765 174.812 0.953 1
1 33 . 9 1 1 A 12 12 SER N N 12 115.851 115.156 0.695 1
1 34 . 9 1 1 A 12 12 SER H H 12 7.899 7.554 0.345 1
1 35 . 9 1 1 A 12 12 SER CA C 12 58.089 57.432 0.657 1
1 36 . 9 1 1 A 12 12 SER HA H 12 4.334 4.843 -0.509 1
1 37 . 9 1 1 A 12 12 SER CB C 12 64.118 65.987 -1.869 1
1 39 . 9 1 1 A 12 12 SER C C 12 173.004 173.570 -0.566 1
1 41 . 9 1 1 A 13 13 HIS N N 13 122.321 123.609 -1.288 1
1 42 . 9 1 1 A 13 13 HIS H H 13 8.450 8.432 0.018 1
1 43 . 9 1 1 A 13 13 HIS CA C 13 55.542 57.788 -2.246 1
1 44 . 9 1 1 A 13 13 HIS HA H 13 4.711 4.535 0.176 1
1 45 . 9 1 1 A 13 13 HIS CB C 13 31.777 30.189 1.588 1
1 51 . 9 1 1 A 13 13 HIS C C 13 174.797 175.472 -0.675 1
1 53 . 9 1 1 A 14 14 THR N N 14 120.690 118.264 2.426 1
1 54 . 9 1 1 A 14 14 THR H H 14 8.703 9.026 -0.323 1
1 55 . 9 1 1 A 14 14 THR CA C 14 61.874 61.045 0.829 1
1 56 . 9 1 1 A 14 14 THR HA H 14 4.977 5.088 -0.111 1
1 57 . 9 1 1 A 14 14 THR CB C 14 71.173 71.177 -0.004 1
1 63 . 9 1 1 A 14 14 THR C C 14 173.574 173.548 0.026 1
1 64 . 9 1 1 A 15 15 CYS N N 15 127.944 124.901 3.043 1
1 65 . 9 1 1 A 15 15 CYS H H 15 9.190 9.213 -0.023 1
1 66 . 9 1 1 A 15 15 CYS CA C 15 59.578 58.987 0.591 1
1 67 . 9 1 1 A 15 15 CYS HA H 15 4.496 4.691 -0.195 1
1 68 . 9 1 1 A 15 15 CYS CB C 15 29.551 28.185 1.366 1
1 70 . 9 1 1 A 15 15 CYS C C 15 176.421 175.817 0.604 1
1 72 . 9 1 1 A 16 16 ASP N N 16 132.096 128.212 3.884 1
1 73 . 9 1 1 A 16 16 ASP H H 16 9.243 9.015 0.228 1
1 74 . 9 1 1 A 16 16 ASP CA C 16 56.482 56.334 0.148 1
1 75 . 9 1 1 A 16 16 ASP HA H 16 4.397 4.526 -0.129 1
1 76 . 9 1 1 A 16 16 ASP CB C 16 40.687 40.382 0.305 1
1 78 . 9 1 1 A 16 16 ASP C C 16 176.308 178.144 -1.836 1
1 80 . 9 1 1 A 17 17 GLU N N 17 120.252 119.225 1.027 1
1 81 . 9 1 1 A 17 17 GLU H H 17 8.524 8.045 0.479 1
1 82 . 9 1 1 A 17 17 GLU CA C 17 58.336 59.170 -0.834 1
1 83 . 9 1 1 A 17 17 GLU HA H 17 4.181 3.932 0.249 1
1 84 . 9 1 1 A 17 17 GLU CB C 17 29.651 29.143 0.508 1
1 88 . 9 1 1 A 17 17 GLU C C 17 177.189 178.161 -0.972 1
1 91 . 9 1 1 A 18 18 CYS N N 18 114.371 114.697 -0.326 1
1 92 . 9 1 1 A 18 18 CYS H H 18 7.834 7.867 -0.033 1
1 93 . 9 1 1 A 18 18 CYS CA C 18 58.344 59.400 -1.056 1
1 94 . 9 1 1 A 18 18 CYS HA H 18 5.146 4.802 0.344 1
1 95 . 9 1 1 A 18 18 CYS CB C 18 32.565 30.469 2.096 1
1 97 . 9 1 1 A 18 18 CYS C C 18 176.321 175.679 0.642 1
1 99 . 9 1 1 A 19 19 GLY N N 19 113.718 110.309 3.409 1
1 100 . 9 1 1 A 19 19 GLY H H 19 8.339 8.438 -0.099 1
1 101 . 9 1 1 A 19 19 GLY CA C 19 46.154 45.177 0.977 1
1 102 . 9 1 1 A 19 19 GLY HA3 H 19 4.167 4.065 0.102 1
1 103 . 9 1 1 A 19 19 GLY C C 19 173.777 174.514 -0.737 1
1 104 . 9 1 1 A 19 19 GLY HA2 H 19 3.733 4.056 -0.323 1
1 105 . 9 1 1 A 20 20 LYS N N 20 122.244 120.229 2.015 1
1 106 . 9 1 1 A 20 20 LYS H H 20 7.876 7.280 0.596 1
1 107 . 9 1 1 A 20 20 LYS CA C 20 58.108 55.897 2.211 1
1 108 . 9 1 1 A 20 20 LYS HA H 20 3.952 4.291 -0.339 1
1 109 . 9 1 1 A 20 20 LYS CB C 20 33.739 33.858 -0.119 1
1 117 . 9 1 1 A 20 20 LYS C C 20 174.125 175.251 -1.126 1
1 122 . 9 1 1 A 21 21 ASN N N 21 118.989 117.683 1.306 1
1 123 . 9 1 1 A 21 21 ASN H H 21 7.986 8.131 -0.145 1
1 124 . 9 1 1 A 21 21 ASN CA C 21 52.255 51.406 0.849 1
1 125 . 9 1 1 A 21 21 ASN HA H 21 5.260 5.488 -0.228 1
1 126 . 9 1 1 A 21 21 ASN CB C 21 41.894 42.048 -0.154 1
1 131 . 9 1 1 A 21 21 ASN C C 21 173.974 173.464 0.510 1
1 133 . 9 1 1 A 22 22 PHE N N 22 118.357 120.739 -2.382 1
1 134 . 9 1 1 A 22 22 PHE H H 22 8.729 9.174 -0.445 1
1 135 . 9 1 1 A 22 22 PHE CA C 22 57.281 56.243 1.038 1
1 136 . 9 1 1 A 22 22 PHE HA H 22 4.599 4.743 -0.144 1
1 137 . 9 1 1 A 22 22 PHE CB C 22 43.439 40.866 2.573 1
1 149 . 9 1 1 A 22 22 PHE C C 22 175.459 175.738 -0.279 1
1 151 . 9 1 1 A 23 23 CYS CA C 23 60.735 62.982 -2.247 1
1 152 . 9 1 1 A 23 23 CYS HA H 23 4.382 4.269 0.113 1
1 153 . 9 1 1 A 23 23 CYS CB C 23 27.868 27.646 0.222 1
1 155 . 9 1 1 A 23 23 CYS C C 23 173.938 174.604 -0.666 1
1 157 . 9 1 1 A 24 24 TYR N N 24 114.062 115.543 -1.481 1
1 158 . 9 1 1 A 24 24 TYR H H 24 7.375 7.503 -0.128 1
1 159 . 9 1 1 A 24 24 TYR CA C 24 55.792 56.015 -0.223 1
1 160 . 9 1 1 A 24 24 TYR HA H 24 5.006 4.890 0.116 1
1 161 . 9 1 1 A 24 24 TYR CB C 24 41.225 40.346 0.879 1
1 171 . 9 1 1 A 24 24 TYR C C 24 176.484 175.617 0.867 1
1 173 . 9 1 1 A 25 25 ILE N N 25 125.892 123.997 1.895 1
1 174 . 9 1 1 A 25 25 ILE H H 25 8.886 8.473 0.413 1
1 175 . 9 1 1 A 25 25 ILE CA C 25 63.625 64.370 -0.745 1
1 176 . 9 1 1 A 25 25 ILE HA H 25 3.421 3.312 0.109 1
1 177 . 9 1 1 A 25 25 ILE CB C 25 37.584 37.192 0.392 1
1 189 . 9 1 1 A 25 25 ILE C C 25 177.052 177.504 -0.452 1
1 191 . 9 1 1 A 26 26 SER N N 26 116.283 118.745 -2.462 1
1 192 . 9 1 1 A 26 26 SER H H 26 8.370 8.030 0.340 1
1 193 . 9 1 1 A 26 26 SER CA C 26 60.986 62.111 -1.125 1
1 194 . 9 1 1 A 26 26 SER HA H 26 3.982 4.034 -0.052 1
1 195 . 9 1 1 A 26 26 SER CB C 26 61.572 62.798 -1.226 1
1 197 . 9 1 1 A 26 26 SER C C 26 176.298 176.699 -0.401 1
1 199 . 9 1 1 A 27 27 ALA N N 27 123.029 123.393 -0.364 1
1 200 . 9 1 1 A 27 27 ALA H H 27 6.647 7.970 -1.323 1
1 201 . 9 1 1 A 27 27 ALA CA C 27 54.300 55.062 -0.762 1
1 202 . 9 1 1 A 27 27 ALA HA H 27 4.099 4.169 -0.070 1
1 203 . 9 1 1 A 27 27 ALA CB C 27 19.034 18.291 0.743 1
1 207 . 9 1 1 A 27 27 ALA C C 27 179.963 179.174 0.789 1
1 208 . 9 1 1 A 28 28 LEU N N 28 121.207 119.451 1.756 1
1 209 . 9 1 1 A 28 28 LEU H H 28 7.084 7.252 -0.168 1
1 210 . 9 1 1 A 28 28 LEU CA C 28 57.723 57.375 0.348 1
1 211 . 9 1 1 A 28 28 LEU HA H 28 3.008 2.646 0.362 1
1 212 . 9 1 1 A 28 28 LEU CB C 28 40.253 41.409 -1.156 1
1 224 . 9 1 1 A 28 28 LEU C C 28 177.583 178.023 -0.440 1
1 226 . 9 1 1 A 29 29 ARG N N 29 117.731 118.003 -0.272 1
1 227 . 9 1 1 A 29 29 ARG H H 29 8.183 8.109 0.074 1
1 228 . 9 1 1 A 29 29 ARG CA C 29 58.953 59.717 -0.764 1
1 229 . 9 1 1 A 29 29 ARG HA H 29 4.100 3.919 0.181 1
1 230 . 9 1 1 A 29 29 ARG CB C 29 29.440 29.697 -0.257 1
1 236 . 9 1 1 A 29 29 ARG C C 29 179.718 178.728 0.990 1
1 240 . 9 1 1 A 30 30 ILE N N 30 119.059 119.904 -0.845 1
1 241 . 9 1 1 A 30 30 ILE H H 30 7.480 7.764 -0.284 1
1 242 . 9 1 1 A 30 30 ILE CA C 30 64.651 64.772 -0.121 1
1 243 . 9 1 1 A 30 30 ILE HA H 30 3.612 3.659 -0.047 1
1 244 . 9 1 1 A 30 30 ILE CB C 30 38.266 37.240 1.026 1
1 256 . 9 1 1 A 30 30 ILE C C 30 178.844 178.268 0.576 1
1 258 . 9 1 1 A 31 31 HIS N N 31 120.618 120.104 0.514 1
1 259 . 9 1 1 A 31 31 HIS H H 31 7.565 7.981 -0.416 1
1 260 . 9 1 1 A 31 31 HIS CA C 31 59.193 59.520 -0.327 1
1 261 . 9 1 1 A 31 31 HIS HA H 31 4.187 4.189 -0.002 1
1 262 . 9 1 1 A 31 31 HIS CB C 31 28.263 29.655 -1.392 1
1 268 . 9 1 1 A 31 31 HIS C C 31 176.323 177.753 -1.430 1
1 270 . 9 1 1 A 32 32 GLN N N 32 115.336 118.201 -2.865 1
1 271 . 9 1 1 A 32 32 GLN H H 32 8.413 8.426 -0.013 1
1 272 . 9 1 1 A 32 32 GLN CA C 32 59.459 59.124 0.335 1
1 273 . 9 1 1 A 32 32 GLN HA H 32 3.578 3.836 -0.258 1
1 274 . 9 1 1 A 32 32 GLN CB C 32 28.370 28.226 0.144 1
1 281 . 9 1 1 A 32 32 GLN C C 32 177.630 178.598 -0.968 1
1 284 . 9 1 1 A 33 33 ARG N N 33 118.205 120.072 -1.867 1
1 285 . 9 1 1 A 33 33 ARG H H 33 7.230 7.889 -0.659 1
1 286 . 9 1 1 A 33 33 ARG CA C 33 58.907 58.596 0.311 1
1 287 . 9 1 1 A 33 33 ARG HA H 33 4.017 4.055 -0.038 1
1 288 . 9 1 1 A 33 33 ARG CB C 33 29.906 29.858 0.048 1
1 294 . 9 1 1 A 33 33 ARG C C 33 178.998 178.676 0.322 1
1 298 . 9 1 1 A 34 34 VAL N N 34 116.652 116.918 -0.266 1
1 299 . 9 1 1 A 34 34 VAL H H 34 7.929 7.688 0.241 1
1 300 . 9 1 1 A 34 34 VAL CA C 34 64.172 65.479 -1.307 1
1 301 . 9 1 1 A 34 34 VAL HA H 34 3.849 3.775 0.074 1
1 302 . 9 1 1 A 34 34 VAL CB C 34 31.027 31.132 -0.105 1
1 312 . 9 1 1 A 34 34 VAL C C 34 177.609 177.878 -0.269 1
1 313 . 9 1 1 A 35 35 HIS N N 35 116.579 120.614 -4.035 1
1 314 . 9 1 1 A 35 35 HIS H H 35 7.002 7.726 -0.724 1
1 315 . 9 1 1 A 35 35 HIS CA C 35 54.913 59.654 -4.741 1
1 316 . 9 1 1 A 35 35 HIS HA H 35 4.799 4.344 0.455 1
1 317 . 9 1 1 A 35 35 HIS CB C 35 28.576 30.691 -2.115 1
1 323 . 9 1 1 A 35 35 HIS C C 35 175.666 177.784 -2.118 1
1 325 . 9 1 1 A 36 36 MET N N 36 118.563 117.906 0.657 1
1 326 . 9 1 1 A 36 36 MET H H 36 7.508 7.587 -0.079 1
1 327 . 9 1 1 A 36 36 MET CA C 36 56.556 57.475 -0.919 1
1 328 . 9 1 1 A 36 36 MET HA H 36 4.389 4.198 0.191 1
1 329 . 9 1 1 A 36 36 MET CB C 36 32.971 32.375 0.596 1
1 337 . 9 1 1 A 36 36 MET C C 36 176.824 177.064 -0.240 1
1 340 . 9 1 1 A 37 37 GLY N N 37 108.831 107.933 0.898 1
1 341 . 9 1 1 A 37 37 GLY H H 37 8.190 7.830 0.360 1
1 342 . 9 1 1 A 37 37 GLY CA C 37 45.478 46.285 -0.807 1
1 343 . 9 1 1 A 37 37 GLY HA3 H 37 3.944 3.700 0.244 1
1 344 . 9 1 1 A 37 37 GLY C C 37 174.378 175.037 -0.659 1
1 345 . 9 1 1 A 37 37 GLY HA2 H 37 3.944 3.689 0.255 1
1 346 . 9 1 1 A 38 38 GLU N N 38 120.546 120.526 0.020 1
1 347 . 9 1 1 A 38 38 GLU H H 38 8.102 9.107 -1.005 1
1 348 . 9 1 1 A 38 38 GLU CA C 38 56.637 57.402 -0.765 1
1 349 . 9 1 1 A 38 38 GLU HA H 38 4.234 3.807 0.427 1
1 350 . 9 1 1 A 38 38 GLU CB C 38 30.266 27.826 2.440 1
1 354 . 9 1 1 A 38 38 GLU C C 38 176.786 174.770 2.016 1
1 357 . 9 1 1 A 39 39 LYS N N 39 121.499 118.748 2.751 1
1 358 . 9 1 1 A 39 39 LYS H H 39 8.275 7.420 0.855 1
1 359 . 9 1 1 A 39 39 LYS CA C 39 56.239 55.064 1.175 1
1 360 . 9 1 1 A 39 39 LYS HA H 39 4.318 4.795 -0.477 1
1 361 . 9 1 1 A 39 39 LYS CB C 39 32.798 35.164 -2.366 1
1 369 . 9 1 1 A 39 39 LYS C C 39 176.575 175.327 1.248 1
1 374 . 9 1 1 A 40 40 CYS N N 40 120.323 124.487 -4.164 1
1 375 . 9 1 1 A 40 40 CYS H H 40 8.318 8.764 -0.446 1
1 376 . 9 1 1 A 40 40 CYS CA C 40 58.407 57.784 0.623 1
1 377 . 9 1 1 A 40 40 CYS CB C 40 28.054 27.444 0.610 1
1 1 . 10 1 1 A 9 9 GLY CA C 9 45.281 44.864 0.417 1
1 2 . 10 1 1 A 9 9 GLY HA3 H 9 3.935 3.978 -0.043 1
1 3 . 10 1 1 A 9 9 GLY C C 9 174.135 172.412 1.723 1
1 4 . 10 1 1 A 9 9 GLY HA2 H 9 3.935 3.975 -0.040 1
1 5 . 10 1 1 A 10 10 GLU N N 10 120.713 120.241 0.472 1
1 6 . 10 1 1 A 10 10 GLU H H 10 8.248 8.459 -0.211 1
1 7 . 10 1 1 A 10 10 GLU CA C 10 56.650 54.463 2.187 1
1 8 . 10 1 1 A 10 10 GLU HA H 10 4.221 5.028 -0.807 1
1 9 . 10 1 1 A 10 10 GLU CB C 10 30.255 32.992 -2.737 1
1 13 . 10 1 1 A 10 10 GLU C C 10 176.461 175.142 1.319 1
1 16 . 10 1 1 A 11 11 LYS N N 11 122.447 123.735 -1.288 1
1 17 . 10 1 1 A 11 11 LYS H H 11 8.369 8.493 -0.124 1
1 18 . 10 1 1 A 11 11 LYS CA C 11 55.860 56.060 -0.200 1
1 19 . 10 1 1 A 11 11 LYS HA H 11 4.251 4.417 -0.166 1
1 20 . 10 1 1 A 11 11 LYS CB C 11 32.853 31.234 1.619 1
1 28 . 10 1 1 A 11 11 LYS C C 11 175.765 175.303 0.462 1
1 33 . 10 1 1 A 12 12 SER N N 12 115.851 117.220 -1.369 1
1 34 . 10 1 1 A 12 12 SER H H 12 7.899 8.129 -0.230 1
1 35 . 10 1 1 A 12 12 SER CA C 12 58.089 57.508 0.581 1
1 36 . 10 1 1 A 12 12 SER HA H 12 4.334 5.022 -0.688 1
1 37 . 10 1 1 A 12 12 SER CB C 12 64.118 66.409 -2.291 1
1 39 . 10 1 1 A 12 12 SER C C 12 173.004 173.165 -0.161 1
1 41 . 10 1 1 A 13 13 HIS N N 13 122.321 123.327 -1.006 1
1 42 . 10 1 1 A 13 13 HIS H H 13 8.450 8.303 0.147 1
1 43 . 10 1 1 A 13 13 HIS CA C 13 55.542 56.753 -1.211 1
1 44 . 10 1 1 A 13 13 HIS HA H 13 4.711 4.850 -0.139 1
1 45 . 10 1 1 A 13 13 HIS CB C 13 31.777 30.927 0.850 1
1 51 . 10 1 1 A 13 13 HIS C C 13 174.797 175.727 -0.930 1
1 53 . 10 1 1 A 14 14 THR N N 14 120.690 116.273 4.417 1
1 54 . 10 1 1 A 14 14 THR H H 14 8.703 8.840 -0.137 1
1 55 . 10 1 1 A 14 14 THR CA C 14 61.874 61.381 0.493 1
1 56 . 10 1 1 A 14 14 THR HA H 14 4.977 5.154 -0.177 1
1 57 . 10 1 1 A 14 14 THR CB C 14 71.173 71.771 -0.598 1
1 63 . 10 1 1 A 14 14 THR C C 14 173.574 173.750 -0.176 1
1 64 . 10 1 1 A 15 15 CYS N N 15 127.944 125.749 2.195 1
1 65 . 10 1 1 A 15 15 CYS H H 15 9.190 8.951 0.239 1
1 66 . 10 1 1 A 15 15 CYS CA C 15 59.578 59.883 -0.305 1
1 67 . 10 1 1 A 15 15 CYS HA H 15 4.496 4.629 -0.133 1
1 68 . 10 1 1 A 15 15 CYS CB C 15 29.551 28.834 0.717 1
1 70 . 10 1 1 A 15 15 CYS C C 15 176.421 176.158 0.263 1
1 72 . 10 1 1 A 16 16 ASP N N 16 132.096 129.386 2.710 1
1 73 . 10 1 1 A 16 16 ASP H H 16 9.243 9.328 -0.085 1
1 74 . 10 1 1 A 16 16 ASP CA C 16 56.482 55.736 0.746 1
1 75 . 10 1 1 A 16 16 ASP HA H 16 4.397 4.491 -0.094 1
1 76 . 10 1 1 A 16 16 ASP CB C 16 40.687 41.089 -0.402 1
1 78 . 10 1 1 A 16 16 ASP C C 16 176.308 177.805 -1.497 1
1 80 . 10 1 1 A 17 17 GLU N N 17 120.252 118.167 2.085 1
1 81 . 10 1 1 A 17 17 GLU H H 17 8.524 7.942 0.582 1
1 82 . 10 1 1 A 17 17 GLU CA C 17 58.336 58.755 -0.419 1
1 83 . 10 1 1 A 17 17 GLU HA H 17 4.181 3.972 0.209 1
1 84 . 10 1 1 A 17 17 GLU CB C 17 29.651 29.226 0.425 1
1 88 . 10 1 1 A 17 17 GLU C C 17 177.189 178.093 -0.904 1
1 91 . 10 1 1 A 18 18 CYS N N 18 114.371 114.653 -0.282 1
1 92 . 10 1 1 A 18 18 CYS H H 18 7.834 7.870 -0.036 1
1 93 . 10 1 1 A 18 18 CYS CA C 18 58.344 59.279 -0.935 1
1 94 . 10 1 1 A 18 18 CYS HA H 18 5.146 4.789 0.357 1
1 95 . 10 1 1 A 18 18 CYS CB C 18 32.565 30.488 2.077 1
1 97 . 10 1 1 A 18 18 CYS C C 18 176.321 175.823 0.498 1
1 99 . 10 1 1 A 19 19 GLY N N 19 113.718 110.303 3.415 1
1 100 . 10 1 1 A 19 19 GLY H H 19 8.339 8.262 0.077 1
1 101 . 10 1 1 A 19 19 GLY CA C 19 46.154 45.101 1.053 1
1 102 . 10 1 1 A 19 19 GLY HA3 H 19 4.167 4.052 0.115 1
1 103 . 10 1 1 A 19 19 GLY C C 19 173.777 174.755 -0.978 1
1 104 . 10 1 1 A 19 19 GLY HA2 H 19 3.733 4.043 -0.310 1
1 105 . 10 1 1 A 20 20 LYS N N 20 122.244 120.397 1.847 1
1 106 . 10 1 1 A 20 20 LYS H H 20 7.876 7.334 0.542 1
1 107 . 10 1 1 A 20 20 LYS CA C 20 58.108 56.467 1.641 1
1 108 . 10 1 1 A 20 20 LYS HA H 20 3.952 4.184 -0.232 1
1 109 . 10 1 1 A 20 20 LYS CB C 20 33.739 33.679 0.060 1
1 117 . 10 1 1 A 20 20 LYS C C 20 174.125 174.921 -0.796 1
1 122 . 10 1 1 A 21 21 ASN N N 21 118.989 118.787 0.202 1
1 123 . 10 1 1 A 21 21 ASN H H 21 7.986 7.998 -0.012 1
1 124 . 10 1 1 A 21 21 ASN CA C 21 52.255 51.508 0.747 1
1 125 . 10 1 1 A 21 21 ASN HA H 21 5.260 5.497 -0.237 1
1 126 . 10 1 1 A 21 21 ASN CB C 21 41.894 42.208 -0.314 1
1 131 . 10 1 1 A 21 21 ASN C C 21 173.974 172.991 0.983 1
1 133 . 10 1 1 A 22 22 PHE N N 22 118.357 121.511 -3.154 1
1 134 . 10 1 1 A 22 22 PHE H H 22 8.729 8.869 -0.140 1
1 135 . 10 1 1 A 22 22 PHE CA C 22 57.281 56.348 0.933 1
1 136 . 10 1 1 A 22 22 PHE HA H 22 4.599 4.798 -0.199 1
1 137 . 10 1 1 A 22 22 PHE CB C 22 43.439 41.174 2.265 1
1 149 . 10 1 1 A 22 22 PHE C C 22 175.459 175.676 -0.217 1
1 151 . 10 1 1 A 23 23 CYS CA C 23 60.735 62.872 -2.137 1
1 152 . 10 1 1 A 23 23 CYS HA H 23 4.382 4.299 0.083 1
1 153 . 10 1 1 A 23 23 CYS CB C 23 27.868 27.700 0.168 1
1 155 . 10 1 1 A 23 23 CYS C C 23 173.938 174.582 -0.644 1
1 157 . 10 1 1 A 24 24 TYR N N 24 114.062 115.260 -1.198 1
1 158 . 10 1 1 A 24 24 TYR H H 24 7.375 7.513 -0.138 1
1 159 . 10 1 1 A 24 24 TYR CA C 24 55.792 55.875 -0.083 1
1 160 . 10 1 1 A 24 24 TYR HA H 24 5.006 4.868 0.138 1
1 161 . 10 1 1 A 24 24 TYR CB C 24 41.225 40.652 0.573 1
1 171 . 10 1 1 A 24 24 TYR C C 24 176.484 175.342 1.142 1
1 173 . 10 1 1 A 25 25 ILE N N 25 125.892 123.153 2.739 1
1 174 . 10 1 1 A 25 25 ILE H H 25 8.886 8.678 0.208 1
1 175 . 10 1 1 A 25 25 ILE CA C 25 63.625 64.512 -0.887 1
1 176 . 10 1 1 A 25 25 ILE HA H 25 3.421 3.432 -0.011 1
1 177 . 10 1 1 A 25 25 ILE CB C 25 37.584 37.163 0.421 1
1 189 . 10 1 1 A 25 25 ILE C C 25 177.052 177.701 -0.649 1
1 191 . 10 1 1 A 26 26 SER N N 26 116.283 118.771 -2.488 1
1 192 . 10 1 1 A 26 26 SER H H 26 8.370 8.068 0.302 1
1 193 . 10 1 1 A 26 26 SER CA C 26 60.986 62.016 -1.030 1
1 194 . 10 1 1 A 26 26 SER HA H 26 3.982 4.042 -0.060 1
1 195 . 10 1 1 A 26 26 SER CB C 26 61.572 62.642 -1.070 1
1 197 . 10 1 1 A 26 26 SER C C 26 176.298 176.772 -0.474 1
1 199 . 10 1 1 A 27 27 ALA N N 27 123.029 123.507 -0.478 1
1 200 . 10 1 1 A 27 27 ALA H H 27 6.647 7.759 -1.112 1
1 201 . 10 1 1 A 27 27 ALA CA C 27 54.300 55.003 -0.703 1
1 202 . 10 1 1 A 27 27 ALA HA H 27 4.099 4.126 -0.027 1
1 203 . 10 1 1 A 27 27 ALA CB C 27 19.034 18.076 0.958 1
1 207 . 10 1 1 A 27 27 ALA C C 27 179.963 179.092 0.871 1
1 208 . 10 1 1 A 28 28 LEU N N 28 121.207 119.206 2.001 1
1 209 . 10 1 1 A 28 28 LEU H H 28 7.084 7.289 -0.205 1
1 210 . 10 1 1 A 28 28 LEU CA C 28 57.723 57.248 0.475 1
1 211 . 10 1 1 A 28 28 LEU HA H 28 3.008 2.654 0.354 1
1 212 . 10 1 1 A 28 28 LEU CB C 28 40.253 41.190 -0.937 1
1 224 . 10 1 1 A 28 28 LEU C C 28 177.583 178.389 -0.806 1
1 226 . 10 1 1 A 29 29 ARG N N 29 117.731 118.209 -0.478 1
1 227 . 10 1 1 A 29 29 ARG H H 29 8.183 8.095 0.088 1
1 228 . 10 1 1 A 29 29 ARG CA C 29 58.953 59.659 -0.706 1
1 229 . 10 1 1 A 29 29 ARG HA H 29 4.100 3.927 0.173 1
1 230 . 10 1 1 A 29 29 ARG CB C 29 29.440 29.625 -0.185 1
1 236 . 10 1 1 A 29 29 ARG C C 29 179.718 178.452 1.266 1
1 240 . 10 1 1 A 30 30 ILE N N 30 119.059 119.837 -0.778 1
1 241 . 10 1 1 A 30 30 ILE H H 30 7.480 7.556 -0.076 1
1 242 . 10 1 1 A 30 30 ILE CA C 30 64.651 64.958 -0.307 1
1 243 . 10 1 1 A 30 30 ILE HA H 30 3.612 3.663 -0.051 1
1 244 . 10 1 1 A 30 30 ILE CB C 30 38.266 37.522 0.744 1
1 256 . 10 1 1 A 30 30 ILE C C 30 178.844 178.304 0.540 1
1 258 . 10 1 1 A 31 31 HIS N N 31 120.618 119.878 0.740 1
1 259 . 10 1 1 A 31 31 HIS H H 31 7.565 8.185 -0.620 1
1 260 . 10 1 1 A 31 31 HIS CA C 31 59.193 60.212 -1.019 1
1 261 . 10 1 1 A 31 31 HIS HA H 31 4.187 4.092 0.095 1
1 262 . 10 1 1 A 31 31 HIS CB C 31 28.263 29.624 -1.361 1
1 268 . 10 1 1 A 31 31 HIS C C 31 176.323 177.308 -0.985 1
1 270 . 10 1 1 A 32 32 GLN N N 32 115.336 117.934 -2.598 1
1 271 . 10 1 1 A 32 32 GLN H H 32 8.413 8.413 0.000 1
1 272 . 10 1 1 A 32 32 GLN CA C 32 59.459 59.067 0.392 1
1 273 . 10 1 1 A 32 32 GLN HA H 32 3.578 3.781 -0.203 1
1 274 . 10 1 1 A 32 32 GLN CB C 32 28.370 28.228 0.142 1
1 281 . 10 1 1 A 32 32 GLN C C 32 177.630 178.588 -0.958 1
1 284 . 10 1 1 A 33 33 ARG N N 33 118.205 119.951 -1.746 1
1 285 . 10 1 1 A 33 33 ARG H H 33 7.230 8.018 -0.788 1
1 286 . 10 1 1 A 33 33 ARG CA C 33 58.907 59.016 -0.109 1
1 287 . 10 1 1 A 33 33 ARG HA H 33 4.017 3.927 0.090 1
1 288 . 10 1 1 A 33 33 ARG CB C 33 29.906 30.011 -0.105 1
1 294 . 10 1 1 A 33 33 ARG C C 33 178.998 178.508 0.490 1
1 298 . 10 1 1 A 34 34 VAL N N 34 116.652 117.091 -0.439 1
1 299 . 10 1 1 A 34 34 VAL H H 34 7.929 7.867 0.062 1
1 300 . 10 1 1 A 34 34 VAL CA C 34 64.172 65.482 -1.310 1
1 301 . 10 1 1 A 34 34 VAL HA H 34 3.849 3.700 0.149 1
1 302 . 10 1 1 A 34 34 VAL CB C 34 31.027 31.190 -0.163 1
1 312 . 10 1 1 A 34 34 VAL C C 34 177.609 178.148 -0.539 1
1 313 . 10 1 1 A 35 35 HIS N N 35 116.579 119.780 -3.201 1
1 314 . 10 1 1 A 35 35 HIS H H 35 7.002 7.978 -0.976 1
1 315 . 10 1 1 A 35 35 HIS CA C 35 54.913 59.013 -4.100 1
1 316 . 10 1 1 A 35 35 HIS HA H 35 4.799 4.250 0.549 1
1 317 . 10 1 1 A 35 35 HIS CB C 35 28.576 30.591 -2.015 1
1 323 . 10 1 1 A 35 35 HIS C C 35 175.666 175.905 -0.239 1
1 325 . 10 1 1 A 36 36 MET N N 36 118.563 118.017 0.546 1
1 326 . 10 1 1 A 36 36 MET H H 36 7.508 7.740 -0.232 1
1 327 . 10 1 1 A 36 36 MET CA C 36 56.556 57.187 -0.631 1
1 328 . 10 1 1 A 36 36 MET HA H 36 4.389 4.202 0.187 1
1 329 . 10 1 1 A 36 36 MET CB C 36 32.971 32.707 0.264 1
1 337 . 10 1 1 A 36 36 MET C C 36 176.824 176.234 0.590 1
1 340 . 10 1 1 A 37 37 GLY N N 37 108.831 109.306 -0.475 1
1 341 . 10 1 1 A 37 37 GLY H H 37 8.190 8.483 -0.293 1
1 342 . 10 1 1 A 37 37 GLY CA C 37 45.478 45.619 -0.141 1
1 343 . 10 1 1 A 37 37 GLY HA3 H 37 3.944 4.226 -0.282 1
1 344 . 10 1 1 A 37 37 GLY C C 37 174.378 172.400 1.978 1
1 345 . 10 1 1 A 37 37 GLY HA2 H 37 3.944 4.220 -0.276 1
1 346 . 10 1 1 A 38 38 GLU N N 38 120.546 123.569 -3.023 1
1 347 . 10 1 1 A 38 38 GLU H H 38 8.102 8.489 -0.387 1
1 348 . 10 1 1 A 38 38 GLU CA C 38 56.637 55.112 1.525 1
1 349 . 10 1 1 A 38 38 GLU HA H 38 4.234 4.766 -0.532 1
1 350 . 10 1 1 A 38 38 GLU CB C 38 30.266 33.434 -3.168 1
1 354 . 10 1 1 A 38 38 GLU C C 38 176.786 175.694 1.092 1
1 357 . 10 1 1 A 39 39 LYS N N 39 121.499 122.357 -0.858 1
1 358 . 10 1 1 A 39 39 LYS H H 39 8.275 8.737 -0.462 1
1 359 . 10 1 1 A 39 39 LYS CA C 39 56.239 58.523 -2.284 1
1 360 . 10 1 1 A 39 39 LYS HA H 39 4.318 4.245 0.073 1
1 361 . 10 1 1 A 39 39 LYS CB C 39 32.798 33.149 -0.351 1
1 369 . 10 1 1 A 39 39 LYS C C 39 176.575 176.740 -0.165 1
1 374 . 10 1 1 A 40 40 CYS N N 40 120.323 118.584 1.739 1
1 375 . 10 1 1 A 40 40 CYS H H 40 8.318 7.912 0.406 1
1 376 . 10 1 1 A 40 40 CYS CA C 40 58.407 57.152 1.255 1
1 377 . 10 1 1 A 40 40 CYS CB C 40 28.054 29.037 -0.983 1
1 1 . 11 1 1 A 9 9 GLY CA C 9 45.281 45.606 -0.325 1
1 2 . 11 1 1 A 9 9 GLY HA3 H 9 3.935 4.037 -0.102 1
1 3 . 11 1 1 A 9 9 GLY C C 9 174.135 173.940 0.195 1
1 4 . 11 1 1 A 9 9 GLY HA2 H 9 3.935 4.035 -0.100 1
1 5 . 11 1 1 A 10 10 GLU N N 10 120.713 121.822 -1.109 1
1 6 . 11 1 1 A 10 10 GLU H H 10 8.248 7.890 0.358 1
1 7 . 11 1 1 A 10 10 GLU CA C 10 56.650 54.625 2.025 1
1 8 . 11 1 1 A 10 10 GLU HA H 10 4.221 4.715 -0.494 1
1 9 . 11 1 1 A 10 10 GLU CB C 10 30.255 32.217 -1.962 1
1 13 . 11 1 1 A 10 10 GLU C C 10 176.461 175.748 0.713 1
1 16 . 11 1 1 A 11 11 LYS N N 11 122.447 125.525 -3.078 1
1 17 . 11 1 1 A 11 11 LYS H H 11 8.369 8.432 -0.063 1
1 18 . 11 1 1 A 11 11 LYS CA C 11 55.860 55.317 0.543 1
1 19 . 11 1 1 A 11 11 LYS HA H 11 4.251 4.320 -0.069 1
1 20 . 11 1 1 A 11 11 LYS CB C 11 32.853 30.840 2.013 1
1 28 . 11 1 1 A 11 11 LYS C C 11 175.765 175.165 0.600 1
1 33 . 11 1 1 A 12 12 SER N N 12 115.851 113.613 2.238 1
1 34 . 11 1 1 A 12 12 SER H H 12 7.899 8.185 -0.286 1
1 35 . 11 1 1 A 12 12 SER CA C 12 58.089 56.519 1.570 1
1 36 . 11 1 1 A 12 12 SER HA H 12 4.334 5.184 -0.850 1
1 37 . 11 1 1 A 12 12 SER CB C 12 64.118 66.102 -1.984 1
1 39 . 11 1 1 A 12 12 SER C C 12 173.004 173.301 -0.297 1
1 41 . 11 1 1 A 13 13 HIS N N 13 122.321 123.361 -1.040 1
1 42 . 11 1 1 A 13 13 HIS H H 13 8.450 8.653 -0.203 1
1 43 . 11 1 1 A 13 13 HIS CA C 13 55.542 57.087 -1.545 1
1 44 . 11 1 1 A 13 13 HIS HA H 13 4.711 4.761 -0.050 1
1 45 . 11 1 1 A 13 13 HIS CB C 13 31.777 30.861 0.916 1
1 51 . 11 1 1 A 13 13 HIS C C 13 174.797 175.915 -1.118 1
1 53 . 11 1 1 A 14 14 THR N N 14 120.690 115.479 5.211 1
1 54 . 11 1 1 A 14 14 THR H H 14 8.703 8.780 -0.077 1
1 55 . 11 1 1 A 14 14 THR CA C 14 61.874 61.279 0.595 1
1 56 . 11 1 1 A 14 14 THR HA H 14 4.977 5.129 -0.152 1
1 57 . 11 1 1 A 14 14 THR CB C 14 71.173 71.907 -0.734 1
1 63 . 11 1 1 A 14 14 THR C C 14 173.574 173.663 -0.089 1
1 64 . 11 1 1 A 15 15 CYS N N 15 127.944 125.506 2.438 1
1 65 . 11 1 1 A 15 15 CYS H H 15 9.190 9.200 -0.010 1
1 66 . 11 1 1 A 15 15 CYS CA C 15 59.578 59.840 -0.262 1
1 67 . 11 1 1 A 15 15 CYS HA H 15 4.496 4.624 -0.128 1
1 68 . 11 1 1 A 15 15 CYS CB C 15 29.551 28.602 0.949 1
1 70 . 11 1 1 A 15 15 CYS C C 15 176.421 175.688 0.733 1
1 72 . 11 1 1 A 16 16 ASP N N 16 132.096 128.380 3.716 1
1 73 . 11 1 1 A 16 16 ASP H H 16 9.243 8.907 0.336 1
1 74 . 11 1 1 A 16 16 ASP CA C 16 56.482 56.280 0.202 1
1 75 . 11 1 1 A 16 16 ASP HA H 16 4.397 4.539 -0.142 1
1 76 . 11 1 1 A 16 16 ASP CB C 16 40.687 40.479 0.208 1
1 78 . 11 1 1 A 16 16 ASP C C 16 176.308 178.202 -1.894 1
1 80 . 11 1 1 A 17 17 GLU N N 17 120.252 119.113 1.139 1
1 81 . 11 1 1 A 17 17 GLU H H 17 8.524 8.019 0.505 1
1 82 . 11 1 1 A 17 17 GLU CA C 17 58.336 59.022 -0.686 1
1 83 . 11 1 1 A 17 17 GLU HA H 17 4.181 3.925 0.256 1
1 84 . 11 1 1 A 17 17 GLU CB C 17 29.651 29.149 0.502 1
1 88 . 11 1 1 A 17 17 GLU C C 17 177.189 178.109 -0.920 1
1 91 . 11 1 1 A 18 18 CYS N N 18 114.371 115.008 -0.637 1
1 92 . 11 1 1 A 18 18 CYS H H 18 7.834 7.935 -0.101 1
1 93 . 11 1 1 A 18 18 CYS CA C 18 58.344 59.477 -1.133 1
1 94 . 11 1 1 A 18 18 CYS HA H 18 5.146 4.783 0.363 1
1 95 . 11 1 1 A 18 18 CYS CB C 18 32.565 30.327 2.238 1
1 97 . 11 1 1 A 18 18 CYS C C 18 176.321 175.698 0.623 1
1 99 . 11 1 1 A 19 19 GLY N N 19 113.718 110.108 3.610 1
1 100 . 11 1 1 A 19 19 GLY H H 19 8.339 8.139 0.200 1
1 101 . 11 1 1 A 19 19 GLY CA C 19 46.154 45.157 0.997 1
1 102 . 11 1 1 A 19 19 GLY HA3 H 19 4.167 4.069 0.098 1
1 103 . 11 1 1 A 19 19 GLY C C 19 173.777 174.393 -0.616 1
1 104 . 11 1 1 A 19 19 GLY HA2 H 19 3.733 4.063 -0.330 1
1 105 . 11 1 1 A 20 20 LYS N N 20 122.244 120.216 2.028 1
1 106 . 11 1 1 A 20 20 LYS H H 20 7.876 7.202 0.674 1
1 107 . 11 1 1 A 20 20 LYS CA C 20 58.108 55.885 2.223 1
1 108 . 11 1 1 A 20 20 LYS HA H 20 3.952 4.242 -0.290 1
1 109 . 11 1 1 A 20 20 LYS CB C 20 33.739 33.764 -0.025 1
1 117 . 11 1 1 A 20 20 LYS C C 20 174.125 175.306 -1.181 1
1 122 . 11 1 1 A 21 21 ASN N N 21 118.989 117.453 1.536 1
1 123 . 11 1 1 A 21 21 ASN H H 21 7.986 8.065 -0.079 1
1 124 . 11 1 1 A 21 21 ASN CA C 21 52.255 51.482 0.773 1
1 125 . 11 1 1 A 21 21 ASN HA H 21 5.260 5.459 -0.199 1
1 126 . 11 1 1 A 21 21 ASN CB C 21 41.894 42.033 -0.139 1
1 131 . 11 1 1 A 21 21 ASN C C 21 173.974 173.770 0.204 1
1 133 . 11 1 1 A 22 22 PHE N N 22 118.357 120.366 -2.009 1
1 134 . 11 1 1 A 22 22 PHE H H 22 8.729 9.072 -0.343 1
1 135 . 11 1 1 A 22 22 PHE CA C 22 57.281 56.347 0.934 1
1 136 . 11 1 1 A 22 22 PHE HA H 22 4.599 4.744 -0.145 1
1 137 . 11 1 1 A 22 22 PHE CB C 22 43.439 41.016 2.423 1
1 149 . 11 1 1 A 22 22 PHE C C 22 175.459 175.627 -0.168 1
1 151 . 11 1 1 A 23 23 CYS CA C 23 60.735 62.979 -2.244 1
1 152 . 11 1 1 A 23 23 CYS HA H 23 4.382 4.236 0.146 1
1 153 . 11 1 1 A 23 23 CYS CB C 23 27.868 27.535 0.333 1
1 155 . 11 1 1 A 23 23 CYS C C 23 173.938 174.446 -0.508 1
1 157 . 11 1 1 A 24 24 TYR N N 24 114.062 115.097 -1.035 1
1 158 . 11 1 1 A 24 24 TYR H H 24 7.375 7.355 0.020 1
1 159 . 11 1 1 A 24 24 TYR CA C 24 55.792 55.937 -0.145 1
1 160 . 11 1 1 A 24 24 TYR HA H 24 5.006 4.913 0.093 1
1 161 . 11 1 1 A 24 24 TYR CB C 24 41.225 40.394 0.831 1
1 171 . 11 1 1 A 24 24 TYR C C 24 176.484 175.537 0.947 1
1 173 . 11 1 1 A 25 25 ILE N N 25 125.892 123.278 2.614 1
1 174 . 11 1 1 A 25 25 ILE H H 25 8.886 8.802 0.084 1
1 175 . 11 1 1 A 25 25 ILE CA C 25 63.625 64.544 -0.919 1
1 176 . 11 1 1 A 25 25 ILE HA H 25 3.421 3.397 0.024 1
1 177 . 11 1 1 A 25 25 ILE CB C 25 37.584 37.200 0.384 1
1 189 . 11 1 1 A 25 25 ILE C C 25 177.052 176.947 0.105 1
1 191 . 11 1 1 A 26 26 SER N N 26 116.283 116.911 -0.628 1
1 192 . 11 1 1 A 26 26 SER H H 26 8.370 8.239 0.131 1
1 193 . 11 1 1 A 26 26 SER CA C 26 60.986 61.657 -0.671 1
1 194 . 11 1 1 A 26 26 SER HA H 26 3.982 3.998 -0.016 1
1 195 . 11 1 1 A 26 26 SER CB C 26 61.572 63.056 -1.484 1
1 197 . 11 1 1 A 26 26 SER C C 26 176.298 177.204 -0.906 1
1 199 . 11 1 1 A 27 27 ALA N N 27 123.029 123.505 -0.476 1
1 200 . 11 1 1 A 27 27 ALA H H 27 6.647 7.996 -1.349 1
1 201 . 11 1 1 A 27 27 ALA CA C 27 54.300 55.043 -0.743 1
1 202 . 11 1 1 A 27 27 ALA HA H 27 4.099 4.185 -0.086 1
1 203 . 11 1 1 A 27 27 ALA CB C 27 19.034 18.305 0.729 1
1 207 . 11 1 1 A 27 27 ALA C C 27 179.963 179.093 0.870 1
1 208 . 11 1 1 A 28 28 LEU N N 28 121.207 119.188 2.019 1
1 209 . 11 1 1 A 28 28 LEU H H 28 7.084 7.329 -0.245 1
1 210 . 11 1 1 A 28 28 LEU CA C 28 57.723 57.176 0.547 1
1 211 . 11 1 1 A 28 28 LEU HA H 28 3.008 2.345 0.663 1
1 212 . 11 1 1 A 28 28 LEU CB C 28 40.253 41.104 -0.851 1
1 224 . 11 1 1 A 28 28 LEU C C 28 177.583 178.328 -0.745 1
1 226 . 11 1 1 A 29 29 ARG N N 29 117.731 118.172 -0.441 1
1 227 . 11 1 1 A 29 29 ARG H H 29 8.183 8.164 0.019 1
1 228 . 11 1 1 A 29 29 ARG CA C 29 58.953 59.701 -0.748 1
1 229 . 11 1 1 A 29 29 ARG HA H 29 4.100 3.907 0.193 1
1 230 . 11 1 1 A 29 29 ARG CB C 29 29.440 29.663 -0.223 1
1 236 . 11 1 1 A 29 29 ARG C C 29 179.718 178.663 1.055 1
1 240 . 11 1 1 A 30 30 ILE N N 30 119.059 120.322 -1.263 1
1 241 . 11 1 1 A 30 30 ILE H H 30 7.480 7.738 -0.258 1
1 242 . 11 1 1 A 30 30 ILE CA C 30 64.651 65.204 -0.553 1
1 243 . 11 1 1 A 30 30 ILE HA H 30 3.612 3.621 -0.009 1
1 244 . 11 1 1 A 30 30 ILE CB C 30 38.266 37.787 0.479 1
1 256 . 11 1 1 A 30 30 ILE C C 30 178.844 178.263 0.581 1
1 258 . 11 1 1 A 31 31 HIS N N 31 120.618 119.717 0.901 1
1 259 . 11 1 1 A 31 31 HIS H H 31 7.565 8.009 -0.444 1
1 260 . 11 1 1 A 31 31 HIS CA C 31 59.193 60.238 -1.045 1
1 261 . 11 1 1 A 31 31 HIS HA H 31 4.187 4.113 0.074 1
1 262 . 11 1 1 A 31 31 HIS CB C 31 28.263 29.595 -1.332 1
1 268 . 11 1 1 A 31 31 HIS C C 31 176.323 177.140 -0.817 1
1 270 . 11 1 1 A 32 32 GLN N N 32 115.336 117.332 -1.996 1
1 271 . 11 1 1 A 32 32 GLN H H 32 8.413 8.375 0.038 1
1 272 . 11 1 1 A 32 32 GLN CA C 32 59.459 59.144 0.315 1
1 273 . 11 1 1 A 32 32 GLN HA H 32 3.578 3.851 -0.273 1
1 274 . 11 1 1 A 32 32 GLN CB C 32 28.370 28.232 0.138 1
1 281 . 11 1 1 A 32 32 GLN C C 32 177.630 178.741 -1.111 1
1 284 . 11 1 1 A 33 33 ARG N N 33 118.205 120.058 -1.853 1
1 285 . 11 1 1 A 33 33 ARG H H 33 7.230 8.059 -0.829 1
1 286 . 11 1 1 A 33 33 ARG CA C 33 58.907 58.930 -0.023 1
1 287 . 11 1 1 A 33 33 ARG HA H 33 4.017 3.949 0.068 1
1 288 . 11 1 1 A 33 33 ARG CB C 33 29.906 29.857 0.049 1
1 294 . 11 1 1 A 33 33 ARG C C 33 178.998 178.846 0.152 1
1 298 . 11 1 1 A 34 34 VAL N N 34 116.652 116.727 -0.075 1
1 299 . 11 1 1 A 34 34 VAL H H 34 7.929 7.975 -0.046 1
1 300 . 11 1 1 A 34 34 VAL CA C 34 64.172 65.299 -1.127 1
1 301 . 11 1 1 A 34 34 VAL HA H 34 3.849 3.691 0.158 1
1 302 . 11 1 1 A 34 34 VAL CB C 34 31.027 31.230 -0.203 1
1 312 . 11 1 1 A 34 34 VAL C C 34 177.609 178.076 -0.467 1
1 313 . 11 1 1 A 35 35 HIS N N 35 116.579 119.949 -3.370 1
1 314 . 11 1 1 A 35 35 HIS H H 35 7.002 8.011 -1.009 1
1 315 . 11 1 1 A 35 35 HIS CA C 35 54.913 58.956 -4.043 1
1 316 . 11 1 1 A 35 35 HIS HA H 35 4.799 4.230 0.569 1
1 317 . 11 1 1 A 35 35 HIS CB C 35 28.576 30.460 -1.884 1
1 323 . 11 1 1 A 35 35 HIS C C 35 175.666 176.103 -0.437 1
1 325 . 11 1 1 A 36 36 MET N N 36 118.563 117.308 1.255 1
1 326 . 11 1 1 A 36 36 MET H H 36 7.508 7.629 -0.121 1
1 327 . 11 1 1 A 36 36 MET CA C 36 56.556 57.060 -0.504 1
1 328 . 11 1 1 A 36 36 MET HA H 36 4.389 4.133 0.256 1
1 329 . 11 1 1 A 36 36 MET CB C 36 32.971 32.670 0.301 1
1 337 . 11 1 1 A 36 36 MET C C 36 176.824 176.544 0.280 1
1 340 . 11 1 1 A 37 37 GLY N N 37 108.831 112.984 -4.153 1
1 341 . 11 1 1 A 37 37 GLY H H 37 8.190 8.460 -0.270 1
1 342 . 11 1 1 A 37 37 GLY CA C 37 45.478 45.918 -0.440 1
1 343 . 11 1 1 A 37 37 GLY HA3 H 37 3.944 4.091 -0.147 1
1 344 . 11 1 1 A 37 37 GLY C C 37 174.378 174.312 0.066 1
1 345 . 11 1 1 A 37 37 GLY HA2 H 37 3.944 4.084 -0.140 1
1 346 . 11 1 1 A 38 38 GLU N N 38 120.546 119.890 0.656 1
1 347 . 11 1 1 A 38 38 GLU H H 38 8.102 7.777 0.325 1
1 348 . 11 1 1 A 38 38 GLU CA C 38 56.637 56.441 0.196 1
1 349 . 11 1 1 A 38 38 GLU HA H 38 4.234 4.398 -0.164 1
1 350 . 11 1 1 A 38 38 GLU CB C 38 30.266 30.044 0.222 1
1 354 . 11 1 1 A 38 38 GLU C C 38 176.786 177.384 -0.598 1
1 357 . 11 1 1 A 39 39 LYS N N 39 121.499 125.059 -3.560 1
1 358 . 11 1 1 A 39 39 LYS H H 39 8.275 8.943 -0.668 1
1 359 . 11 1 1 A 39 39 LYS CA C 39 56.239 60.196 -3.957 1
1 360 . 11 1 1 A 39 39 LYS HA H 39 4.318 3.858 0.460 1
1 361 . 11 1 1 A 39 39 LYS CB C 39 32.798 31.732 1.066 1
1 369 . 11 1 1 A 39 39 LYS C C 39 176.575 176.333 0.242 1
1 374 . 11 1 1 A 40 40 CYS N N 40 120.323 117.721 2.602 1
1 375 . 11 1 1 A 40 40 CYS H H 40 8.318 7.878 0.440 1
1 376 . 11 1 1 A 40 40 CYS CA C 40 58.407 60.438 -2.031 1
1 377 . 11 1 1 A 40 40 CYS CB C 40 28.054 25.999 2.055 1
1 1 . 12 1 1 A 9 9 GLY CA C 9 45.281 44.665 0.616 1
1 2 . 12 1 1 A 9 9 GLY HA3 H 9 3.935 4.091 -0.156 1
1 3 . 12 1 1 A 9 9 GLY C C 9 174.135 173.209 0.926 1
1 4 . 12 1 1 A 9 9 GLY HA2 H 9 3.935 4.089 -0.154 1
1 5 . 12 1 1 A 10 10 GLU N N 10 120.713 120.478 0.235 1
1 6 . 12 1 1 A 10 10 GLU H H 10 8.248 8.371 -0.123 1
1 7 . 12 1 1 A 10 10 GLU CA C 10 56.650 56.237 0.413 1
1 8 . 12 1 1 A 10 10 GLU HA H 10 4.221 4.439 -0.218 1
1 9 . 12 1 1 A 10 10 GLU CB C 10 30.255 30.911 -0.656 1
1 13 . 12 1 1 A 10 10 GLU C C 10 176.461 175.643 0.818 1
1 16 . 12 1 1 A 11 11 LYS N N 11 122.447 125.462 -3.015 1
1 17 . 12 1 1 A 11 11 LYS H H 11 8.369 8.594 -0.225 1
1 18 . 12 1 1 A 11 11 LYS CA C 11 55.860 55.052 0.808 1
1 19 . 12 1 1 A 11 11 LYS HA H 11 4.251 4.510 -0.259 1
1 20 . 12 1 1 A 11 11 LYS CB C 11 32.853 31.614 1.239 1
1 28 . 12 1 1 A 11 11 LYS C C 11 175.765 174.488 1.277 1
1 33 . 12 1 1 A 12 12 SER N N 12 115.851 118.732 -2.881 1
1 34 . 12 1 1 A 12 12 SER H H 12 7.899 7.568 0.331 1
1 35 . 12 1 1 A 12 12 SER CA C 12 58.089 57.650 0.439 1
1 36 . 12 1 1 A 12 12 SER HA H 12 4.334 4.906 -0.572 1
1 37 . 12 1 1 A 12 12 SER CB C 12 64.118 66.935 -2.817 1
1 39 . 12 1 1 A 12 12 SER C C 12 173.004 172.931 0.073 1
1 41 . 12 1 1 A 13 13 HIS N N 13 122.321 122.494 -0.173 1
1 42 . 12 1 1 A 13 13 HIS H H 13 8.450 8.263 0.187 1
1 43 . 12 1 1 A 13 13 HIS CA C 13 55.542 55.856 -0.314 1
1 44 . 12 1 1 A 13 13 HIS HA H 13 4.711 5.006 -0.295 1
1 45 . 12 1 1 A 13 13 HIS CB C 13 31.777 30.921 0.856 1
1 51 . 12 1 1 A 13 13 HIS C C 13 174.797 175.336 -0.539 1
1 53 . 12 1 1 A 14 14 THR N N 14 120.690 115.503 5.187 1
1 54 . 12 1 1 A 14 14 THR H H 14 8.703 8.875 -0.172 1
1 55 . 12 1 1 A 14 14 THR CA C 14 61.874 61.299 0.575 1
1 56 . 12 1 1 A 14 14 THR HA H 14 4.977 5.204 -0.227 1
1 57 . 12 1 1 A 14 14 THR CB C 14 71.173 72.015 -0.842 1
1 63 . 12 1 1 A 14 14 THR C C 14 173.574 173.627 -0.053 1
1 64 . 12 1 1 A 15 15 CYS N N 15 127.944 125.415 2.529 1
1 65 . 12 1 1 A 15 15 CYS H H 15 9.190 9.316 -0.126 1
1 66 . 12 1 1 A 15 15 CYS CA C 15 59.578 59.524 0.054 1
1 67 . 12 1 1 A 15 15 CYS HA H 15 4.496 4.623 -0.127 1
1 68 . 12 1 1 A 15 15 CYS CB C 15 29.551 28.300 1.251 1
1 70 . 12 1 1 A 15 15 CYS C C 15 176.421 175.795 0.626 1
1 72 . 12 1 1 A 16 16 ASP N N 16 132.096 128.139 3.957 1
1 73 . 12 1 1 A 16 16 ASP H H 16 9.243 8.949 0.294 1
1 74 . 12 1 1 A 16 16 ASP CA C 16 56.482 56.325 0.157 1
1 75 . 12 1 1 A 16 16 ASP HA H 16 4.397 4.536 -0.139 1
1 76 . 12 1 1 A 16 16 ASP CB C 16 40.687 40.447 0.240 1
1 78 . 12 1 1 A 16 16 ASP C C 16 176.308 178.213 -1.905 1
1 80 . 12 1 1 A 17 17 GLU N N 17 120.252 119.083 1.169 1
1 81 . 12 1 1 A 17 17 GLU H H 17 8.524 7.894 0.630 1
1 82 . 12 1 1 A 17 17 GLU CA C 17 58.336 58.948 -0.612 1
1 83 . 12 1 1 A 17 17 GLU HA H 17 4.181 3.926 0.255 1
1 84 . 12 1 1 A 17 17 GLU CB C 17 29.651 29.231 0.420 1
1 88 . 12 1 1 A 17 17 GLU C C 17 177.189 178.061 -0.872 1
1 91 . 12 1 1 A 18 18 CYS N N 18 114.371 115.014 -0.643 1
1 92 . 12 1 1 A 18 18 CYS H H 18 7.834 7.938 -0.104 1
1 93 . 12 1 1 A 18 18 CYS CA C 18 58.344 59.705 -1.361 1
1 94 . 12 1 1 A 18 18 CYS HA H 18 5.146 4.765 0.381 1
1 95 . 12 1 1 A 18 18 CYS CB C 18 32.565 30.084 2.481 1
1 97 . 12 1 1 A 18 18 CYS C C 18 176.321 175.629 0.692 1
1 99 . 12 1 1 A 19 19 GLY N N 19 113.718 109.868 3.850 1
1 100 . 12 1 1 A 19 19 GLY H H 19 8.339 7.986 0.353 1
1 101 . 12 1 1 A 19 19 GLY CA C 19 46.154 45.076 1.078 1
1 102 . 12 1 1 A 19 19 GLY HA3 H 19 4.167 4.085 0.082 1
1 103 . 12 1 1 A 19 19 GLY C C 19 173.777 174.278 -0.501 1
1 104 . 12 1 1 A 19 19 GLY HA2 H 19 3.733 4.076 -0.343 1
1 105 . 12 1 1 A 20 20 LYS N N 20 122.244 119.916 2.328 1
1 106 . 12 1 1 A 20 20 LYS H H 20 7.876 7.224 0.652 1
1 107 . 12 1 1 A 20 20 LYS CA C 20 58.108 55.681 2.427 1
1 108 . 12 1 1 A 20 20 LYS HA H 20 3.952 4.288 -0.336 1
1 109 . 12 1 1 A 20 20 LYS CB C 20 33.739 33.711 0.028 1
1 117 . 12 1 1 A 20 20 LYS C C 20 174.125 175.298 -1.173 1
1 122 . 12 1 1 A 21 21 ASN N N 21 118.989 117.867 1.122 1
1 123 . 12 1 1 A 21 21 ASN H H 21 7.986 8.183 -0.197 1
1 124 . 12 1 1 A 21 21 ASN CA C 21 52.255 51.412 0.843 1
1 125 . 12 1 1 A 21 21 ASN HA H 21 5.260 5.578 -0.318 1
1 126 . 12 1 1 A 21 21 ASN CB C 21 41.894 41.898 -0.004 1
1 131 . 12 1 1 A 21 21 ASN C C 21 173.974 173.911 0.063 1
1 133 . 12 1 1 A 22 22 PHE N N 22 118.357 120.310 -1.953 1
1 134 . 12 1 1 A 22 22 PHE H H 22 8.729 9.014 -0.285 1
1 135 . 12 1 1 A 22 22 PHE CA C 22 57.281 56.331 0.950 1
1 136 . 12 1 1 A 22 22 PHE HA H 22 4.599 4.774 -0.175 1
1 137 . 12 1 1 A 22 22 PHE CB C 22 43.439 41.092 2.347 1
1 149 . 12 1 1 A 22 22 PHE C C 22 175.459 175.688 -0.229 1
1 151 . 12 1 1 A 23 23 CYS CA C 23 60.735 63.143 -2.408 1
1 152 . 12 1 1 A 23 23 CYS HA H 23 4.382 4.246 0.136 1
1 153 . 12 1 1 A 23 23 CYS CB C 23 27.868 27.898 -0.030 1
1 155 . 12 1 1 A 23 23 CYS C C 23 173.938 175.217 -1.279 1
1 157 . 12 1 1 A 24 24 TYR N N 24 114.062 118.411 -4.349 1
1 158 . 12 1 1 A 24 24 TYR H H 24 7.375 7.574 -0.199 1
1 159 . 12 1 1 A 24 24 TYR CA C 24 55.792 56.009 -0.217 1
1 160 . 12 1 1 A 24 24 TYR HA H 24 5.006 4.935 0.071 1
1 161 . 12 1 1 A 24 24 TYR CB C 24 41.225 40.295 0.930 1
1 171 . 12 1 1 A 24 24 TYR C C 24 176.484 175.573 0.911 1
1 173 . 12 1 1 A 25 25 ILE N N 25 125.892 124.019 1.873 1
1 174 . 12 1 1 A 25 25 ILE H H 25 8.886 8.633 0.253 1
1 175 . 12 1 1 A 25 25 ILE CA C 25 63.625 64.458 -0.833 1
1 176 . 12 1 1 A 25 25 ILE HA H 25 3.421 3.402 0.019 1
1 177 . 12 1 1 A 25 25 ILE CB C 25 37.584 37.246 0.338 1
1 189 . 12 1 1 A 25 25 ILE C C 25 177.052 177.013 0.039 1
1 191 . 12 1 1 A 26 26 SER N N 26 116.283 116.941 -0.658 1
1 192 . 12 1 1 A 26 26 SER H H 26 8.370 8.177 0.193 1
1 193 . 12 1 1 A 26 26 SER CA C 26 60.986 61.661 -0.675 1
1 194 . 12 1 1 A 26 26 SER HA H 26 3.982 3.981 0.001 1
1 195 . 12 1 1 A 26 26 SER CB C 26 61.572 63.113 -1.541 1
1 197 . 12 1 1 A 26 26 SER C C 26 176.298 177.075 -0.777 1
1 199 . 12 1 1 A 27 27 ALA N N 27 123.029 123.819 -0.790 1
1 200 . 12 1 1 A 27 27 ALA H H 27 6.647 8.119 -1.472 1
1 201 . 12 1 1 A 27 27 ALA CA C 27 54.300 55.094 -0.794 1
1 202 . 12 1 1 A 27 27 ALA HA H 27 4.099 4.114 -0.015 1
1 203 . 12 1 1 A 27 27 ALA CB C 27 19.034 17.772 1.262 1
1 207 . 12 1 1 A 27 27 ALA C C 27 179.963 179.030 0.933 1
1 208 . 12 1 1 A 28 28 LEU N N 28 121.207 119.219 1.988 1
1 209 . 12 1 1 A 28 28 LEU H H 28 7.084 7.446 -0.362 1
1 210 . 12 1 1 A 28 28 LEU CA C 28 57.723 56.993 0.730 1
1 211 . 12 1 1 A 28 28 LEU HA H 28 3.008 2.662 0.346 1
1 212 . 12 1 1 A 28 28 LEU CB C 28 40.253 41.148 -0.895 1
1 224 . 12 1 1 A 28 28 LEU C C 28 177.583 178.528 -0.945 1
1 226 . 12 1 1 A 29 29 ARG N N 29 117.731 118.210 -0.479 1
1 227 . 12 1 1 A 29 29 ARG H H 29 8.183 8.115 0.068 1
1 228 . 12 1 1 A 29 29 ARG CA C 29 58.953 59.585 -0.632 1
1 229 . 12 1 1 A 29 29 ARG HA H 29 4.100 3.933 0.167 1
1 230 . 12 1 1 A 29 29 ARG CB C 29 29.440 29.667 -0.227 1
1 236 . 12 1 1 A 29 29 ARG C C 29 179.718 178.706 1.012 1
1 240 . 12 1 1 A 30 30 ILE N N 30 119.059 119.763 -0.704 1
1 241 . 12 1 1 A 30 30 ILE H H 30 7.480 7.763 -0.283 1
1 242 . 12 1 1 A 30 30 ILE CA C 30 64.651 64.681 -0.030 1
1 243 . 12 1 1 A 30 30 ILE HA H 30 3.612 3.690 -0.078 1
1 244 . 12 1 1 A 30 30 ILE CB C 30 38.266 36.966 1.300 1
1 256 . 12 1 1 A 30 30 ILE C C 30 178.844 178.339 0.505 1
1 258 . 12 1 1 A 31 31 HIS N N 31 120.618 120.315 0.303 1
1 259 . 12 1 1 A 31 31 HIS H H 31 7.565 7.800 -0.235 1
1 260 . 12 1 1 A 31 31 HIS CA C 31 59.193 59.665 -0.472 1
1 261 . 12 1 1 A 31 31 HIS HA H 31 4.187 4.186 0.001 1
1 262 . 12 1 1 A 31 31 HIS CB C 31 28.263 29.949 -1.686 1
1 268 . 12 1 1 A 31 31 HIS C C 31 176.323 177.468 -1.145 1
1 270 . 12 1 1 A 32 32 GLN N N 32 115.336 117.675 -2.339 1
1 271 . 12 1 1 A 32 32 GLN H H 32 8.413 8.502 -0.089 1
1 272 . 12 1 1 A 32 32 GLN CA C 32 59.459 58.947 0.512 1
1 273 . 12 1 1 A 32 32 GLN HA H 32 3.578 3.786 -0.208 1
1 274 . 12 1 1 A 32 32 GLN CB C 32 28.370 28.243 0.127 1
1 281 . 12 1 1 A 32 32 GLN C C 32 177.630 178.509 -0.879 1
1 284 . 12 1 1 A 33 33 ARG N N 33 118.205 120.206 -2.001 1
1 285 . 12 1 1 A 33 33 ARG H H 33 7.230 8.101 -0.871 1
1 286 . 12 1 1 A 33 33 ARG CA C 33 58.907 58.872 0.035 1
1 287 . 12 1 1 A 33 33 ARG HA H 33 4.017 3.987 0.030 1
1 288 . 12 1 1 A 33 33 ARG CB C 33 29.906 29.947 -0.041 1
1 294 . 12 1 1 A 33 33 ARG C C 33 178.998 178.951 0.047 1
1 298 . 12 1 1 A 34 34 VAL N N 34 116.652 116.891 -0.239 1
1 299 . 12 1 1 A 34 34 VAL H H 34 7.929 7.877 0.052 1
1 300 . 12 1 1 A 34 34 VAL CA C 34 64.172 65.287 -1.115 1
1 301 . 12 1 1 A 34 34 VAL HA H 34 3.849 3.678 0.171 1
1 302 . 12 1 1 A 34 34 VAL CB C 34 31.027 31.335 -0.308 1
1 312 . 12 1 1 A 34 34 VAL C C 34 177.609 178.014 -0.405 1
1 313 . 12 1 1 A 35 35 HIS N N 35 116.579 120.486 -3.907 1
1 314 . 12 1 1 A 35 35 HIS H H 35 7.002 7.633 -0.631 1
1 315 . 12 1 1 A 35 35 HIS CA C 35 54.913 59.117 -4.204 1
1 316 . 12 1 1 A 35 35 HIS HA H 35 4.799 4.318 0.481 1
1 317 . 12 1 1 A 35 35 HIS CB C 35 28.576 29.864 -1.288 1
1 323 . 12 1 1 A 35 35 HIS C C 35 175.666 175.920 -0.254 1
1 325 . 12 1 1 A 36 36 MET N N 36 118.563 117.777 0.786 1
1 326 . 12 1 1 A 36 36 MET H H 36 7.508 7.612 -0.104 1
1 327 . 12 1 1 A 36 36 MET CA C 36 56.556 57.305 -0.749 1
1 328 . 12 1 1 A 36 36 MET HA H 36 4.389 4.094 0.295 1
1 329 . 12 1 1 A 36 36 MET CB C 36 32.971 32.507 0.464 1
1 337 . 12 1 1 A 36 36 MET C C 36 176.824 176.847 -0.023 1
1 340 . 12 1 1 A 37 37 GLY N N 37 108.831 111.010 -2.179 1
1 341 . 12 1 1 A 37 37 GLY H H 37 8.190 8.482 -0.292 1
1 342 . 12 1 1 A 37 37 GLY CA C 37 45.478 45.569 -0.091 1
1 343 . 12 1 1 A 37 37 GLY HA3 H 37 3.944 4.033 -0.089 1
1 344 . 12 1 1 A 37 37 GLY C C 37 174.378 173.591 0.787 1
1 345 . 12 1 1 A 37 37 GLY HA2 H 37 3.944 4.029 -0.085 1
1 346 . 12 1 1 A 38 38 GLU N N 38 120.546 115.991 4.555 1
1 347 . 12 1 1 A 38 38 GLU H H 38 8.102 8.023 0.079 1
1 348 . 12 1 1 A 38 38 GLU CA C 38 56.637 55.059 1.578 1
1 349 . 12 1 1 A 38 38 GLU HA H 38 4.234 4.854 -0.620 1
1 350 . 12 1 1 A 38 38 GLU CB C 38 30.266 32.905 -2.639 1
1 354 . 12 1 1 A 38 38 GLU C C 38 176.786 174.308 2.478 1
1 357 . 12 1 1 A 39 39 LYS N N 39 121.499 123.454 -1.955 1
1 358 . 12 1 1 A 39 39 LYS H H 39 8.275 8.718 -0.443 1
1 359 . 12 1 1 A 39 39 LYS CA C 39 56.239 54.558 1.681 1
1 360 . 12 1 1 A 39 39 LYS HA H 39 4.318 4.901 -0.583 1
1 361 . 12 1 1 A 39 39 LYS CB C 39 32.798 35.374 -2.576 1
1 369 . 12 1 1 A 39 39 LYS C C 39 176.575 176.266 0.309 1
1 374 . 12 1 1 A 40 40 CYS N N 40 120.323 122.856 -2.533 1
1 375 . 12 1 1 A 40 40 CYS H H 40 8.318 8.693 -0.375 1
1 376 . 12 1 1 A 40 40 CYS CA C 40 58.407 61.262 -2.855 1
1 377 . 12 1 1 A 40 40 CYS CB C 40 28.054 27.844 0.210 1
1 1 . 13 1 1 A 9 9 GLY CA C 9 45.281 46.126 -0.845 1
1 2 . 13 1 1 A 9 9 GLY HA3 H 9 3.935 4.170 -0.235 1
1 3 . 13 1 1 A 9 9 GLY C C 9 174.135 171.233 2.902 1
1 4 . 13 1 1 A 9 9 GLY HA2 H 9 3.935 4.167 -0.232 1
1 5 . 13 1 1 A 10 10 GLU N N 10 120.713 121.184 -0.471 1
1 6 . 13 1 1 A 10 10 GLU H H 10 8.248 8.523 -0.275 1
1 7 . 13 1 1 A 10 10 GLU CA C 10 56.650 54.549 2.101 1
1 8 . 13 1 1 A 10 10 GLU HA H 10 4.221 5.071 -0.850 1
1 9 . 13 1 1 A 10 10 GLU CB C 10 30.255 33.213 -2.958 1
1 13 . 13 1 1 A 10 10 GLU C C 10 176.461 175.020 1.441 1
1 16 . 13 1 1 A 11 11 LYS N N 11 122.447 125.684 -3.237 1
1 17 . 13 1 1 A 11 11 LYS H H 11 8.369 8.502 -0.133 1
1 18 . 13 1 1 A 11 11 LYS CA C 11 55.860 56.040 -0.180 1
1 19 . 13 1 1 A 11 11 LYS HA H 11 4.251 4.480 -0.229 1
1 20 . 13 1 1 A 11 11 LYS CB C 11 32.853 33.007 -0.154 1
1 28 . 13 1 1 A 11 11 LYS C C 11 175.765 175.699 0.066 1
1 33 . 13 1 1 A 12 12 SER N N 12 115.851 121.523 -5.672 1
1 34 . 13 1 1 A 12 12 SER H H 12 7.899 9.002 -1.103 1
1 35 . 13 1 1 A 12 12 SER CA C 12 58.089 56.974 1.115 1
1 36 . 13 1 1 A 12 12 SER HA H 12 4.334 5.118 -0.784 1
1 37 . 13 1 1 A 12 12 SER CB C 12 64.118 66.395 -2.277 1
1 39 . 13 1 1 A 12 12 SER C C 12 173.004 172.830 0.174 1
1 41 . 13 1 1 A 13 13 HIS N N 13 122.321 122.209 0.112 1
1 42 . 13 1 1 A 13 13 HIS H H 13 8.450 8.974 -0.524 1
1 43 . 13 1 1 A 13 13 HIS CA C 13 55.542 55.155 0.387 1
1 44 . 13 1 1 A 13 13 HIS HA H 13 4.711 5.042 -0.331 1
1 45 . 13 1 1 A 13 13 HIS CB C 13 31.777 30.574 1.203 1
1 51 . 13 1 1 A 13 13 HIS C C 13 174.797 174.566 0.231 1
1 53 . 13 1 1 A 14 14 THR N N 14 120.690 118.630 2.060 1
1 54 . 13 1 1 A 14 14 THR H H 14 8.703 9.107 -0.404 1
1 55 . 13 1 1 A 14 14 THR CA C 14 61.874 61.185 0.689 1
1 56 . 13 1 1 A 14 14 THR HA H 14 4.977 5.058 -0.081 1
1 57 . 13 1 1 A 14 14 THR CB C 14 71.173 70.704 0.469 1
1 63 . 13 1 1 A 14 14 THR C C 14 173.574 173.827 -0.253 1
1 64 . 13 1 1 A 15 15 CYS N N 15 127.944 126.126 1.818 1
1 65 . 13 1 1 A 15 15 CYS H H 15 9.190 9.091 0.099 1
1 66 . 13 1 1 A 15 15 CYS CA C 15 59.578 59.954 -0.376 1
1 67 . 13 1 1 A 15 15 CYS HA H 15 4.496 4.610 -0.114 1
1 68 . 13 1 1 A 15 15 CYS CB C 15 29.551 28.757 0.794 1
1 70 . 13 1 1 A 15 15 CYS C C 15 176.421 176.126 0.295 1
1 72 . 13 1 1 A 16 16 ASP N N 16 132.096 128.889 3.207 1
1 73 . 13 1 1 A 16 16 ASP H H 16 9.243 9.390 -0.147 1
1 74 . 13 1 1 A 16 16 ASP CA C 16 56.482 55.264 1.218 1
1 75 . 13 1 1 A 16 16 ASP HA H 16 4.397 4.640 -0.243 1
1 76 . 13 1 1 A 16 16 ASP CB C 16 40.687 40.849 -0.162 1
1 78 . 13 1 1 A 16 16 ASP C C 16 176.308 177.616 -1.308 1
1 80 . 13 1 1 A 17 17 GLU N N 17 120.252 118.465 1.787 1
1 81 . 13 1 1 A 17 17 GLU H H 17 8.524 7.643 0.881 1
1 82 . 13 1 1 A 17 17 GLU CA C 17 58.336 58.901 -0.565 1
1 83 . 13 1 1 A 17 17 GLU HA H 17 4.181 3.994 0.187 1
1 84 . 13 1 1 A 17 17 GLU CB C 17 29.651 29.514 0.137 1
1 88 . 13 1 1 A 17 17 GLU C C 17 177.189 177.957 -0.768 1
1 91 . 13 1 1 A 18 18 CYS N N 18 114.371 114.970 -0.599 1
1 92 . 13 1 1 A 18 18 CYS H H 18 7.834 7.850 -0.016 1
1 93 . 13 1 1 A 18 18 CYS CA C 18 58.344 59.455 -1.111 1
1 94 . 13 1 1 A 18 18 CYS HA H 18 5.146 4.772 0.374 1
1 95 . 13 1 1 A 18 18 CYS CB C 18 32.565 30.523 2.042 1
1 97 . 13 1 1 A 18 18 CYS C C 18 176.321 175.780 0.541 1
1 99 . 13 1 1 A 19 19 GLY N N 19 113.718 110.093 3.625 1
1 100 . 13 1 1 A 19 19 GLY H H 19 8.339 8.102 0.237 1
1 101 . 13 1 1 A 19 19 GLY CA C 19 46.154 44.995 1.159 1
1 102 . 13 1 1 A 19 19 GLY HA3 H 19 4.167 4.075 0.092 1
1 103 . 13 1 1 A 19 19 GLY C C 19 173.777 174.637 -0.860 1
1 104 . 13 1 1 A 19 19 GLY HA2 H 19 3.733 4.067 -0.334 1
1 105 . 13 1 1 A 20 20 LYS N N 20 122.244 120.571 1.673 1
1 106 . 13 1 1 A 20 20 LYS H H 20 7.876 7.385 0.491 1
1 107 . 13 1 1 A 20 20 LYS CA C 20 58.108 56.428 1.680 1
1 108 . 13 1 1 A 20 20 LYS HA H 20 3.952 4.139 -0.187 1
1 109 . 13 1 1 A 20 20 LYS CB C 20 33.739 33.540 0.199 1
1 117 . 13 1 1 A 20 20 LYS C C 20 174.125 174.906 -0.781 1
1 122 . 13 1 1 A 21 21 ASN N N 21 118.989 118.873 0.116 1
1 123 . 13 1 1 A 21 21 ASN H H 21 7.986 7.979 0.007 1
1 124 . 13 1 1 A 21 21 ASN CA C 21 52.255 51.503 0.752 1
1 125 . 13 1 1 A 21 21 ASN HA H 21 5.260 5.409 -0.149 1
1 126 . 13 1 1 A 21 21 ASN CB C 21 41.894 42.118 -0.224 1
1 131 . 13 1 1 A 21 21 ASN C C 21 173.974 172.907 1.067 1
1 133 . 13 1 1 A 22 22 PHE N N 22 118.357 121.008 -2.651 1
1 134 . 13 1 1 A 22 22 PHE H H 22 8.729 8.892 -0.163 1
1 135 . 13 1 1 A 22 22 PHE CA C 22 57.281 56.496 0.785 1
1 136 . 13 1 1 A 22 22 PHE HA H 22 4.599 4.771 -0.172 1
1 137 . 13 1 1 A 22 22 PHE CB C 22 43.439 41.219 2.220 1
1 149 . 13 1 1 A 22 22 PHE C C 22 175.459 175.570 -0.111 1
1 151 . 13 1 1 A 23 23 CYS CA C 23 60.735 62.917 -2.182 1
1 152 . 13 1 1 A 23 23 CYS HA H 23 4.382 4.286 0.096 1
1 153 . 13 1 1 A 23 23 CYS CB C 23 27.868 27.538 0.330 1
1 155 . 13 1 1 A 23 23 CYS C C 23 173.938 174.676 -0.738 1
1 157 . 13 1 1 A 24 24 TYR N N 24 114.062 116.700 -2.638 1
1 158 . 13 1 1 A 24 24 TYR H H 24 7.375 7.539 -0.164 1
1 159 . 13 1 1 A 24 24 TYR CA C 24 55.792 56.084 -0.292 1
1 160 . 13 1 1 A 24 24 TYR HA H 24 5.006 4.907 0.099 1
1 161 . 13 1 1 A 24 24 TYR CB C 24 41.225 40.067 1.158 1
1 171 . 13 1 1 A 24 24 TYR C C 24 176.484 175.596 0.888 1
1 173 . 13 1 1 A 25 25 ILE N N 25 125.892 124.211 1.681 1
1 174 . 13 1 1 A 25 25 ILE H H 25 8.886 8.634 0.252 1
1 175 . 13 1 1 A 25 25 ILE CA C 25 63.625 64.439 -0.814 1
1 176 . 13 1 1 A 25 25 ILE HA H 25 3.421 3.317 0.104 1
1 177 . 13 1 1 A 25 25 ILE CB C 25 37.584 37.375 0.209 1
1 189 . 13 1 1 A 25 25 ILE C C 25 177.052 177.530 -0.478 1
1 191 . 13 1 1 A 26 26 SER N N 26 116.283 118.769 -2.486 1
1 192 . 13 1 1 A 26 26 SER H H 26 8.370 8.059 0.311 1
1 193 . 13 1 1 A 26 26 SER CA C 26 60.986 62.097 -1.111 1
1 194 . 13 1 1 A 26 26 SER HA H 26 3.982 4.056 -0.074 1
1 195 . 13 1 1 A 26 26 SER CB C 26 61.572 62.645 -1.073 1
1 197 . 13 1 1 A 26 26 SER C C 26 176.298 176.672 -0.374 1
1 199 . 13 1 1 A 27 27 ALA N N 27 123.029 123.539 -0.510 1
1 200 . 13 1 1 A 27 27 ALA H H 27 6.647 8.024 -1.377 1
1 201 . 13 1 1 A 27 27 ALA CA C 27 54.300 55.075 -0.775 1
1 202 . 13 1 1 A 27 27 ALA HA H 27 4.099 4.210 -0.111 1
1 203 . 13 1 1 A 27 27 ALA CB C 27 19.034 18.324 0.710 1
1 207 . 13 1 1 A 27 27 ALA C C 27 179.963 179.175 0.788 1
1 208 . 13 1 1 A 28 28 LEU N N 28 121.207 119.472 1.735 1
1 209 . 13 1 1 A 28 28 LEU H H 28 7.084 7.294 -0.210 1
1 210 . 13 1 1 A 28 28 LEU CA C 28 57.723 57.486 0.237 1
1 211 . 13 1 1 A 28 28 LEU HA H 28 3.008 2.875 0.133 1
1 212 . 13 1 1 A 28 28 LEU CB C 28 40.253 41.492 -1.239 1
1 224 . 13 1 1 A 28 28 LEU C C 28 177.583 178.166 -0.583 1
1 226 . 13 1 1 A 29 29 ARG N N 29 117.731 118.008 -0.277 1
1 227 . 13 1 1 A 29 29 ARG H H 29 8.183 8.085 0.098 1
1 228 . 13 1 1 A 29 29 ARG CA C 29 58.953 59.727 -0.774 1
1 229 . 13 1 1 A 29 29 ARG HA H 29 4.100 3.930 0.170 1
1 230 . 13 1 1 A 29 29 ARG CB C 29 29.440 29.705 -0.265 1
1 236 . 13 1 1 A 29 29 ARG C C 29 179.718 178.588 1.130 1
1 240 . 13 1 1 A 30 30 ILE N N 30 119.059 119.899 -0.840 1
1 241 . 13 1 1 A 30 30 ILE H H 30 7.480 7.696 -0.216 1
1 242 . 13 1 1 A 30 30 ILE CA C 30 64.651 64.731 -0.080 1
1 243 . 13 1 1 A 30 30 ILE HA H 30 3.612 3.684 -0.072 1
1 244 . 13 1 1 A 30 30 ILE CB C 30 38.266 37.115 1.151 1
1 256 . 13 1 1 A 30 30 ILE C C 30 178.844 178.411 0.433 1
1 258 . 13 1 1 A 31 31 HIS N N 31 120.618 120.099 0.519 1
1 259 . 13 1 1 A 31 31 HIS H H 31 7.565 8.006 -0.441 1
1 260 . 13 1 1 A 31 31 HIS CA C 31 59.193 59.441 -0.248 1
1 261 . 13 1 1 A 31 31 HIS HA H 31 4.187 4.117 0.070 1
1 262 . 13 1 1 A 31 31 HIS CB C 31 28.263 29.614 -1.351 1
1 268 . 13 1 1 A 31 31 HIS C C 31 176.323 177.851 -1.528 1
1 270 . 13 1 1 A 32 32 GLN N N 32 115.336 118.256 -2.920 1
1 271 . 13 1 1 A 32 32 GLN H H 32 8.413 8.466 -0.053 1
1 272 . 13 1 1 A 32 32 GLN CA C 32 59.459 59.088 0.371 1
1 273 . 13 1 1 A 32 32 GLN HA H 32 3.578 3.863 -0.285 1
1 274 . 13 1 1 A 32 32 GLN CB C 32 28.370 28.208 0.162 1
1 281 . 13 1 1 A 32 32 GLN C C 32 177.630 178.656 -1.026 1
1 284 . 13 1 1 A 33 33 ARG N N 33 118.205 120.219 -2.014 1
1 285 . 13 1 1 A 33 33 ARG H H 33 7.230 7.914 -0.684 1
1 286 . 13 1 1 A 33 33 ARG CA C 33 58.907 58.602 0.305 1
1 287 . 13 1 1 A 33 33 ARG HA H 33 4.017 4.006 0.011 1
1 288 . 13 1 1 A 33 33 ARG CB C 33 29.906 29.782 0.124 1
1 294 . 13 1 1 A 33 33 ARG C C 33 178.998 178.880 0.118 1
1 298 . 13 1 1 A 34 34 VAL N N 34 116.652 116.687 -0.035 1
1 299 . 13 1 1 A 34 34 VAL H H 34 7.929 7.616 0.313 1
1 300 . 13 1 1 A 34 34 VAL CA C 34 64.172 65.100 -0.928 1
1 301 . 13 1 1 A 34 34 VAL HA H 34 3.849 3.786 0.063 1
1 302 . 13 1 1 A 34 34 VAL CB C 34 31.027 31.015 0.012 1
1 312 . 13 1 1 A 34 34 VAL C C 34 177.609 176.552 1.057 1
1 313 . 13 1 1 A 35 35 HIS N N 35 116.579 119.598 -3.019 1
1 314 . 13 1 1 A 35 35 HIS H H 35 7.002 7.420 -0.418 1
1 315 . 13 1 1 A 35 35 HIS CA C 35 54.913 56.198 -1.285 1
1 316 . 13 1 1 A 35 35 HIS HA H 35 4.799 4.556 0.243 1
1 317 . 13 1 1 A 35 35 HIS CB C 35 28.576 29.106 -0.530 1
1 323 . 13 1 1 A 35 35 HIS C C 35 175.666 175.034 0.632 1
1 325 . 13 1 1 A 36 36 MET N N 36 118.563 119.580 -1.017 1
1 326 . 13 1 1 A 36 36 MET H H 36 7.508 7.329 0.179 1
1 327 . 13 1 1 A 36 36 MET CA C 36 56.556 53.708 2.848 1
1 328 . 13 1 1 A 36 36 MET HA H 36 4.389 4.612 -0.223 1
1 329 . 13 1 1 A 36 36 MET CB C 36 32.971 31.695 1.276 1
1 337 . 13 1 1 A 36 36 MET C C 36 176.824 175.878 0.946 1
1 340 . 13 1 1 A 37 37 GLY N N 37 108.831 112.427 -3.596 1
1 341 . 13 1 1 A 37 37 GLY H H 37 8.190 8.844 -0.654 1
1 342 . 13 1 1 A 37 37 GLY CA C 37 45.478 44.788 0.690 1
1 343 . 13 1 1 A 37 37 GLY HA3 H 37 3.944 4.154 -0.210 1
1 344 . 13 1 1 A 37 37 GLY C C 37 174.378 174.873 -0.495 1
1 345 . 13 1 1 A 37 37 GLY HA2 H 37 3.944 4.146 -0.202 1
1 346 . 13 1 1 A 38 38 GLU N N 38 120.546 120.486 0.060 1
1 347 . 13 1 1 A 38 38 GLU H H 38 8.102 8.921 -0.819 1
1 348 . 13 1 1 A 38 38 GLU CA C 38 56.637 58.860 -2.223 1
1 349 . 13 1 1 A 38 38 GLU HA H 38 4.234 4.029 0.205 1
1 350 . 13 1 1 A 38 38 GLU CB C 38 30.266 30.337 -0.071 1
1 354 . 13 1 1 A 38 38 GLU C C 38 176.786 177.806 -1.020 1
1 357 . 13 1 1 A 39 39 LYS N N 39 121.499 118.786 2.713 1
1 358 . 13 1 1 A 39 39 LYS H H 39 8.275 7.774 0.501 1
1 359 . 13 1 1 A 39 39 LYS CA C 39 56.239 57.987 -1.748 1
1 360 . 13 1 1 A 39 39 LYS HA H 39 4.318 4.479 -0.161 1
1 361 . 13 1 1 A 39 39 LYS CB C 39 32.798 34.202 -1.404 1
1 369 . 13 1 1 A 39 39 LYS C C 39 176.575 176.558 0.017 1
1 374 . 13 1 1 A 40 40 CYS N N 40 120.323 118.091 2.232 1
1 375 . 13 1 1 A 40 40 CYS H H 40 8.318 8.040 0.278 1
1 376 . 13 1 1 A 40 40 CYS CA C 40 58.407 59.962 -1.555 1
1 377 . 13 1 1 A 40 40 CYS CB C 40 28.054 25.473 2.581 1
1 1 . 14 1 1 A 9 9 GLY CA C 9 45.281 44.602 0.679 1
1 2 . 14 1 1 A 9 9 GLY HA3 H 9 3.935 4.328 -0.393 1
1 3 . 14 1 1 A 9 9 GLY C C 9 174.135 172.616 1.519 1
1 4 . 14 1 1 A 9 9 GLY HA2 H 9 3.935 4.328 -0.393 1
1 5 . 14 1 1 A 10 10 GLU N N 10 120.713 120.372 0.341 1
1 6 . 14 1 1 A 10 10 GLU H H 10 8.248 8.943 -0.695 1
1 7 . 14 1 1 A 10 10 GLU CA C 10 56.650 54.931 1.719 1
1 8 . 14 1 1 A 10 10 GLU HA H 10 4.221 5.139 -0.918 1
1 9 . 14 1 1 A 10 10 GLU CB C 10 30.255 32.209 -1.954 1
1 13 . 14 1 1 A 10 10 GLU C C 10 176.461 174.931 1.530 1
1 16 . 14 1 1 A 11 11 LYS N N 11 122.447 122.655 -0.208 1
1 17 . 14 1 1 A 11 11 LYS H H 11 8.369 8.287 0.082 1
1 18 . 14 1 1 A 11 11 LYS CA C 11 55.860 55.664 0.196 1
1 19 . 14 1 1 A 11 11 LYS HA H 11 4.251 4.495 -0.244 1
1 20 . 14 1 1 A 11 11 LYS CB C 11 32.853 36.438 -3.585 1
1 28 . 14 1 1 A 11 11 LYS C C 11 175.765 174.206 1.559 1
1 33 . 14 1 1 A 12 12 SER N N 12 115.851 119.930 -4.079 1
1 34 . 14 1 1 A 12 12 SER H H 12 7.899 8.523 -0.624 1
1 35 . 14 1 1 A 12 12 SER CA C 12 58.089 59.030 -0.941 1
1 36 . 14 1 1 A 12 12 SER HA H 12 4.334 4.356 -0.022 1
1 37 . 14 1 1 A 12 12 SER CB C 12 64.118 63.201 0.917 1
1 39 . 14 1 1 A 12 12 SER C C 12 173.004 174.469 -1.465 1
1 41 . 14 1 1 A 13 13 HIS N N 13 122.321 124.473 -2.152 1
1 42 . 14 1 1 A 13 13 HIS H H 13 8.450 8.246 0.204 1
1 43 . 14 1 1 A 13 13 HIS CA C 13 55.542 56.945 -1.403 1
1 44 . 14 1 1 A 13 13 HIS HA H 13 4.711 4.844 -0.133 1
1 45 . 14 1 1 A 13 13 HIS CB C 13 31.777 30.849 0.928 1
1 51 . 14 1 1 A 13 13 HIS C C 13 174.797 175.852 -1.055 1
1 53 . 14 1 1 A 14 14 THR N N 14 120.690 115.493 5.197 1
1 54 . 14 1 1 A 14 14 THR H H 14 8.703 8.597 0.106 1
1 55 . 14 1 1 A 14 14 THR CA C 14 61.874 61.228 0.646 1
1 56 . 14 1 1 A 14 14 THR HA H 14 4.977 5.105 -0.128 1
1 57 . 14 1 1 A 14 14 THR CB C 14 71.173 72.045 -0.872 1
1 63 . 14 1 1 A 14 14 THR C C 14 173.574 173.602 -0.028 1
1 64 . 14 1 1 A 15 15 CYS N N 15 127.944 125.658 2.286 1
1 65 . 14 1 1 A 15 15 CYS H H 15 9.190 8.779 0.411 1
1 66 . 14 1 1 A 15 15 CYS CA C 15 59.578 59.868 -0.290 1
1 67 . 14 1 1 A 15 15 CYS HA H 15 4.496 4.625 -0.129 1
1 68 . 14 1 1 A 15 15 CYS CB C 15 29.551 28.849 0.702 1
1 70 . 14 1 1 A 15 15 CYS C C 15 176.421 175.964 0.457 1
1 72 . 14 1 1 A 16 16 ASP N N 16 132.096 129.330 2.766 1
1 73 . 14 1 1 A 16 16 ASP H H 16 9.243 9.355 -0.112 1
1 74 . 14 1 1 A 16 16 ASP CA C 16 56.482 55.696 0.786 1
1 75 . 14 1 1 A 16 16 ASP HA H 16 4.397 4.545 -0.148 1
1 76 . 14 1 1 A 16 16 ASP CB C 16 40.687 40.834 -0.147 1
1 78 . 14 1 1 A 16 16 ASP C C 16 176.308 177.790 -1.482 1
1 80 . 14 1 1 A 17 17 GLU N N 17 120.252 118.137 2.115 1
1 81 . 14 1 1 A 17 17 GLU H H 17 8.524 7.550 0.974 1
1 82 . 14 1 1 A 17 17 GLU CA C 17 58.336 59.015 -0.679 1
1 83 . 14 1 1 A 17 17 GLU HA H 17 4.181 3.963 0.218 1
1 84 . 14 1 1 A 17 17 GLU CB C 17 29.651 29.184 0.467 1
1 88 . 14 1 1 A 17 17 GLU C C 17 177.189 178.061 -0.872 1
1 91 . 14 1 1 A 18 18 CYS N N 18 114.371 114.971 -0.600 1
1 92 . 14 1 1 A 18 18 CYS H H 18 7.834 7.839 -0.005 1
1 93 . 14 1 1 A 18 18 CYS CA C 18 58.344 59.587 -1.243 1
1 94 . 14 1 1 A 18 18 CYS HA H 18 5.146 4.801 0.345 1
1 95 . 14 1 1 A 18 18 CYS CB C 18 32.565 30.459 2.106 1
1 97 . 14 1 1 A 18 18 CYS C C 18 176.321 175.715 0.606 1
1 99 . 14 1 1 A 19 19 GLY N N 19 113.718 109.946 3.772 1
1 100 . 14 1 1 A 19 19 GLY H H 19 8.339 7.932 0.407 1
1 101 . 14 1 1 A 19 19 GLY CA C 19 46.154 45.167 0.987 1
1 102 . 14 1 1 A 19 19 GLY HA3 H 19 4.167 4.078 0.089 1
1 103 . 14 1 1 A 19 19 GLY C C 19 173.777 174.709 -0.932 1
1 104 . 14 1 1 A 19 19 GLY HA2 H 19 3.733 4.069 -0.336 1
1 105 . 14 1 1 A 20 20 LYS N N 20 122.244 120.185 2.059 1
1 106 . 14 1 1 A 20 20 LYS H H 20 7.876 7.308 0.568 1
1 107 . 14 1 1 A 20 20 LYS CA C 20 58.108 55.985 2.123 1
1 108 . 14 1 1 A 20 20 LYS HA H 20 3.952 4.328 -0.376 1
1 109 . 14 1 1 A 20 20 LYS CB C 20 33.739 34.202 -0.463 1
1 117 . 14 1 1 A 20 20 LYS C C 20 174.125 175.218 -1.093 1
1 122 . 14 1 1 A 21 21 ASN N N 21 118.989 117.741 1.248 1
1 123 . 14 1 1 A 21 21 ASN H H 21 7.986 7.863 0.123 1
1 124 . 14 1 1 A 21 21 ASN CA C 21 52.255 51.717 0.538 1
1 125 . 14 1 1 A 21 21 ASN HA H 21 5.260 5.534 -0.274 1
1 126 . 14 1 1 A 21 21 ASN CB C 21 41.894 42.259 -0.365 1
1 131 . 14 1 1 A 21 21 ASN C C 21 173.974 172.837 1.137 1
1 133 . 14 1 1 A 22 22 PHE N N 22 118.357 120.625 -2.268 1
1 134 . 14 1 1 A 22 22 PHE H H 22 8.729 9.101 -0.372 1
1 135 . 14 1 1 A 22 22 PHE CA C 22 57.281 56.480 0.801 1
1 136 . 14 1 1 A 22 22 PHE HA H 22 4.599 4.777 -0.178 1
1 137 . 14 1 1 A 22 22 PHE CB C 22 43.439 41.217 2.222 1
1 149 . 14 1 1 A 22 22 PHE C C 22 175.459 175.657 -0.198 1
1 151 . 14 1 1 A 23 23 CYS CA C 23 60.735 63.151 -2.416 1
1 152 . 14 1 1 A 23 23 CYS HA H 23 4.382 4.343 0.039 1
1 153 . 14 1 1 A 23 23 CYS CB C 23 27.868 27.918 -0.050 1
1 155 . 14 1 1 A 23 23 CYS C C 23 173.938 175.293 -1.355 1
1 157 . 14 1 1 A 24 24 TYR N N 24 114.062 118.428 -4.366 1
1 158 . 14 1 1 A 24 24 TYR H H 24 7.375 7.595 -0.220 1
1 159 . 14 1 1 A 24 24 TYR CA C 24 55.792 56.025 -0.233 1
1 160 . 14 1 1 A 24 24 TYR HA H 24 5.006 4.910 0.096 1
1 161 . 14 1 1 A 24 24 TYR CB C 24 41.225 40.337 0.888 1
1 171 . 14 1 1 A 24 24 TYR C C 24 176.484 175.706 0.778 1
1 173 . 14 1 1 A 25 25 ILE N N 25 125.892 123.984 1.908 1
1 174 . 14 1 1 A 25 25 ILE H H 25 8.886 8.624 0.262 1
1 175 . 14 1 1 A 25 25 ILE CA C 25 63.625 64.425 -0.800 1
1 176 . 14 1 1 A 25 25 ILE HA H 25 3.421 3.387 0.034 1
1 177 . 14 1 1 A 25 25 ILE CB C 25 37.584 37.235 0.349 1
1 189 . 14 1 1 A 25 25 ILE C C 25 177.052 176.875 0.177 1
1 191 . 14 1 1 A 26 26 SER N N 26 116.283 116.878 -0.595 1
1 192 . 14 1 1 A 26 26 SER H H 26 8.370 8.163 0.207 1
1 193 . 14 1 1 A 26 26 SER CA C 26 60.986 61.658 -0.672 1
1 194 . 14 1 1 A 26 26 SER HA H 26 3.982 3.981 0.001 1
1 195 . 14 1 1 A 26 26 SER CB C 26 61.572 63.120 -1.548 1
1 197 . 14 1 1 A 26 26 SER C C 26 176.298 177.038 -0.740 1
1 199 . 14 1 1 A 27 27 ALA N N 27 123.029 124.084 -1.055 1
1 200 . 14 1 1 A 27 27 ALA H H 27 6.647 8.026 -1.379 1
1 201 . 14 1 1 A 27 27 ALA CA C 27 54.300 55.046 -0.746 1
1 202 . 14 1 1 A 27 27 ALA HA H 27 4.099 4.147 -0.048 1
1 203 . 14 1 1 A 27 27 ALA CB C 27 19.034 18.037 0.997 1
1 207 . 14 1 1 A 27 27 ALA C C 27 179.963 179.047 0.916 1
1 208 . 14 1 1 A 28 28 LEU N N 28 121.207 119.147 2.060 1
1 209 . 14 1 1 A 28 28 LEU H H 28 7.084 7.251 -0.167 1
1 210 . 14 1 1 A 28 28 LEU CA C 28 57.723 57.121 0.602 1
1 211 . 14 1 1 A 28 28 LEU HA H 28 3.008 2.809 0.199 1
1 212 . 14 1 1 A 28 28 LEU CB C 28 40.253 41.291 -1.038 1
1 224 . 14 1 1 A 28 28 LEU C C 28 177.583 178.336 -0.753 1
1 226 . 14 1 1 A 29 29 ARG N N 29 117.731 118.361 -0.630 1
1 227 . 14 1 1 A 29 29 ARG H H 29 8.183 8.225 -0.042 1
1 228 . 14 1 1 A 29 29 ARG CA C 29 58.953 59.183 -0.230 1
1 229 . 14 1 1 A 29 29 ARG HA H 29 4.100 3.945 0.155 1
1 230 . 14 1 1 A 29 29 ARG CB C 29 29.440 29.781 -0.341 1
1 236 . 14 1 1 A 29 29 ARG C C 29 179.718 178.915 0.803 1
1 240 . 14 1 1 A 30 30 ILE N N 30 119.059 120.349 -1.290 1
1 241 . 14 1 1 A 30 30 ILE H H 30 7.480 7.608 -0.128 1
1 242 . 14 1 1 A 30 30 ILE CA C 30 64.651 64.506 0.145 1
1 243 . 14 1 1 A 30 30 ILE HA H 30 3.612 3.805 -0.193 1
1 244 . 14 1 1 A 30 30 ILE CB C 30 38.266 37.343 0.923 1
1 256 . 14 1 1 A 30 30 ILE C C 30 178.844 178.521 0.323 1
1 258 . 14 1 1 A 31 31 HIS N N 31 120.618 120.167 0.451 1
1 259 . 14 1 1 A 31 31 HIS H H 31 7.565 7.992 -0.427 1
1 260 . 14 1 1 A 31 31 HIS CA C 31 59.193 60.257 -1.064 1
1 261 . 14 1 1 A 31 31 HIS HA H 31 4.187 4.108 0.079 1
1 262 . 14 1 1 A 31 31 HIS CB C 31 28.263 29.897 -1.634 1
1 268 . 14 1 1 A 31 31 HIS C C 31 176.323 177.403 -1.080 1
1 270 . 14 1 1 A 32 32 GLN N N 32 115.336 117.552 -2.216 1
1 271 . 14 1 1 A 32 32 GLN H H 32 8.413 8.386 0.027 1
1 272 . 14 1 1 A 32 32 GLN CA C 32 59.459 58.977 0.482 1
1 273 . 14 1 1 A 32 32 GLN HA H 32 3.578 3.786 -0.208 1
1 274 . 14 1 1 A 32 32 GLN CB C 32 28.370 28.263 0.107 1
1 281 . 14 1 1 A 32 32 GLN C C 32 177.630 178.490 -0.860 1
1 284 . 14 1 1 A 33 33 ARG N N 33 118.205 119.888 -1.683 1
1 285 . 14 1 1 A 33 33 ARG H H 33 7.230 8.012 -0.782 1
1 286 . 14 1 1 A 33 33 ARG CA C 33 58.907 58.980 -0.073 1
1 287 . 14 1 1 A 33 33 ARG HA H 33 4.017 4.002 0.015 1
1 288 . 14 1 1 A 33 33 ARG CB C 33 29.906 29.949 -0.043 1
1 294 . 14 1 1 A 33 33 ARG C C 33 178.998 178.855 0.143 1
1 298 . 14 1 1 A 34 34 VAL N N 34 116.652 116.566 0.086 1
1 299 . 14 1 1 A 34 34 VAL H H 34 7.929 7.912 0.017 1
1 300 . 14 1 1 A 34 34 VAL CA C 34 64.172 65.280 -1.108 1
1 301 . 14 1 1 A 34 34 VAL HA H 34 3.849 3.668 0.181 1
1 302 . 14 1 1 A 34 34 VAL CB C 34 31.027 31.171 -0.144 1
1 312 . 14 1 1 A 34 34 VAL C C 34 177.609 177.618 -0.009 1
1 313 . 14 1 1 A 35 35 HIS N N 35 116.579 119.570 -2.991 1
1 314 . 14 1 1 A 35 35 HIS H H 35 7.002 7.686 -0.684 1
1 315 . 14 1 1 A 35 35 HIS CA C 35 54.913 59.349 -4.436 1
1 316 . 14 1 1 A 35 35 HIS HA H 35 4.799 4.275 0.524 1
1 317 . 14 1 1 A 35 35 HIS CB C 35 28.576 30.916 -2.340 1
1 323 . 14 1 1 A 35 35 HIS C C 35 175.666 175.801 -0.135 1
1 325 . 14 1 1 A 36 36 MET N N 36 118.563 117.923 0.640 1
1 326 . 14 1 1 A 36 36 MET H H 36 7.508 7.541 -0.033 1
1 327 . 14 1 1 A 36 36 MET CA C 36 56.556 56.546 0.010 1
1 328 . 14 1 1 A 36 36 MET HA H 36 4.389 4.376 0.013 1
1 329 . 14 1 1 A 36 36 MET CB C 36 32.971 33.181 -0.210 1
1 337 . 14 1 1 A 36 36 MET C C 36 176.824 176.555 0.269 1
1 340 . 14 1 1 A 37 37 GLY N N 37 108.831 111.130 -2.299 1
1 341 . 14 1 1 A 37 37 GLY H H 37 8.190 8.586 -0.396 1
1 342 . 14 1 1 A 37 37 GLY CA C 37 45.478 45.939 -0.461 1
1 343 . 14 1 1 A 37 37 GLY HA3 H 37 3.944 4.200 -0.256 1
1 344 . 14 1 1 A 37 37 GLY C C 37 174.378 174.232 0.146 1
1 345 . 14 1 1 A 37 37 GLY HA2 H 37 3.944 4.194 -0.250 1
1 346 . 14 1 1 A 38 38 GLU N N 38 120.546 118.679 1.867 1
1 347 . 14 1 1 A 38 38 GLU H H 38 8.102 7.783 0.319 1
1 348 . 14 1 1 A 38 38 GLU CA C 38 56.637 55.665 0.972 1
1 349 . 14 1 1 A 38 38 GLU HA H 38 4.234 4.302 -0.068 1
1 350 . 14 1 1 A 38 38 GLU CB C 38 30.266 30.889 -0.623 1
1 354 . 14 1 1 A 38 38 GLU C C 38 176.786 176.895 -0.109 1
1 357 . 14 1 1 A 39 39 LYS N N 39 121.499 117.510 3.989 1
1 358 . 14 1 1 A 39 39 LYS H H 39 8.275 8.442 -0.167 1
1 359 . 14 1 1 A 39 39 LYS CA C 39 56.239 56.794 -0.555 1
1 360 . 14 1 1 A 39 39 LYS HA H 39 4.318 4.551 -0.233 1
1 361 . 14 1 1 A 39 39 LYS CB C 39 32.798 34.585 -1.787 1
1 369 . 14 1 1 A 39 39 LYS C C 39 176.575 178.252 -1.677 1
1 374 . 14 1 1 A 40 40 CYS N N 40 120.323 119.304 1.019 1
1 375 . 14 1 1 A 40 40 CYS H H 40 8.318 8.152 0.166 1
1 376 . 14 1 1 A 40 40 CYS CA C 40 58.407 62.514 -4.107 1
1 377 . 14 1 1 A 40 40 CYS CB C 40 28.054 26.531 1.523 1
1 1 . 15 1 1 A 9 9 GLY CA C 9 45.281 44.934 0.347 1
1 2 . 15 1 1 A 9 9 GLY HA3 H 9 3.935 4.163 -0.228 1
1 3 . 15 1 1 A 9 9 GLY C C 9 174.135 172.581 1.554 1
1 4 . 15 1 1 A 9 9 GLY HA2 H 9 3.935 4.152 -0.217 1
1 5 . 15 1 1 A 10 10 GLU N N 10 120.713 123.470 -2.757 1
1 6 . 15 1 1 A 10 10 GLU H H 10 8.248 8.541 -0.293 1
1 7 . 15 1 1 A 10 10 GLU CA C 10 56.650 56.335 0.315 1
1 8 . 15 1 1 A 10 10 GLU HA H 10 4.221 4.307 -0.086 1
1 9 . 15 1 1 A 10 10 GLU CB C 10 30.255 31.157 -0.902 1
1 13 . 15 1 1 A 10 10 GLU C C 10 176.461 177.783 -1.322 1
1 16 . 15 1 1 A 11 11 LYS N N 11 122.447 122.613 -0.166 1
1 17 . 15 1 1 A 11 11 LYS H H 11 8.369 8.665 -0.296 1
1 18 . 15 1 1 A 11 11 LYS CA C 11 55.860 57.876 -2.016 1
1 19 . 15 1 1 A 11 11 LYS HA H 11 4.251 4.156 0.095 1
1 20 . 15 1 1 A 11 11 LYS CB C 11 32.853 32.463 0.390 1
1 28 . 15 1 1 A 11 11 LYS C C 11 175.765 176.334 -0.569 1
1 33 . 15 1 1 A 12 12 SER N N 12 115.851 113.315 2.536 1
1 34 . 15 1 1 A 12 12 SER H H 12 7.899 7.618 0.281 1
1 35 . 15 1 1 A 12 12 SER CA C 12 58.089 57.580 0.509 1
1 36 . 15 1 1 A 12 12 SER HA H 12 4.334 4.943 -0.609 1
1 37 . 15 1 1 A 12 12 SER CB C 12 64.118 67.139 -3.021 1
1 39 . 15 1 1 A 12 12 SER C C 12 173.004 172.507 0.497 1
1 41 . 15 1 1 A 13 13 HIS N N 13 122.321 122.491 -0.170 1
1 42 . 15 1 1 A 13 13 HIS H H 13 8.450 8.934 -0.484 1
1 43 . 15 1 1 A 13 13 HIS CA C 13 55.542 55.925 -0.383 1
1 44 . 15 1 1 A 13 13 HIS HA H 13 4.711 5.006 -0.295 1
1 45 . 15 1 1 A 13 13 HIS CB C 13 31.777 31.511 0.266 1
1 51 . 15 1 1 A 13 13 HIS C C 13 174.797 175.059 -0.262 1
1 53 . 15 1 1 A 14 14 THR N N 14 120.690 115.150 5.540 1
1 54 . 15 1 1 A 14 14 THR H H 14 8.703 8.755 -0.052 1
1 55 . 15 1 1 A 14 14 THR CA C 14 61.874 61.279 0.595 1
1 56 . 15 1 1 A 14 14 THR HA H 14 4.977 5.138 -0.161 1
1 57 . 15 1 1 A 14 14 THR CB C 14 71.173 71.938 -0.765 1
1 63 . 15 1 1 A 14 14 THR C C 14 173.574 173.577 -0.003 1
1 64 . 15 1 1 A 15 15 CYS N N 15 127.944 125.367 2.577 1
1 65 . 15 1 1 A 15 15 CYS H H 15 9.190 8.740 0.450 1
1 66 . 15 1 1 A 15 15 CYS CA C 15 59.578 59.396 0.182 1
1 67 . 15 1 1 A 15 15 CYS HA H 15 4.496 4.681 -0.185 1
1 68 . 15 1 1 A 15 15 CYS CB C 15 29.551 28.555 0.996 1
1 70 . 15 1 1 A 15 15 CYS C C 15 176.421 176.044 0.377 1
1 72 . 15 1 1 A 16 16 ASP N N 16 132.096 128.299 3.797 1
1 73 . 15 1 1 A 16 16 ASP H H 16 9.243 9.036 0.207 1
1 74 . 15 1 1 A 16 16 ASP CA C 16 56.482 56.280 0.202 1
1 75 . 15 1 1 A 16 16 ASP HA H 16 4.397 4.515 -0.118 1
1 76 . 15 1 1 A 16 16 ASP CB C 16 40.687 40.381 0.306 1
1 78 . 15 1 1 A 16 16 ASP C C 16 176.308 178.193 -1.885 1
1 80 . 15 1 1 A 17 17 GLU N N 17 120.252 119.080 1.172 1
1 81 . 15 1 1 A 17 17 GLU H H 17 8.524 7.843 0.681 1
1 82 . 15 1 1 A 17 17 GLU CA C 17 58.336 58.952 -0.616 1
1 83 . 15 1 1 A 17 17 GLU HA H 17 4.181 3.937 0.244 1
1 84 . 15 1 1 A 17 17 GLU CB C 17 29.651 29.108 0.543 1
1 88 . 15 1 1 A 17 17 GLU C C 17 177.189 178.120 -0.931 1
1 91 . 15 1 1 A 18 18 CYS N N 18 114.371 114.875 -0.504 1
1 92 . 15 1 1 A 18 18 CYS H H 18 7.834 7.850 -0.016 1
1 93 . 15 1 1 A 18 18 CYS CA C 18 58.344 59.401 -1.057 1
1 94 . 15 1 1 A 18 18 CYS HA H 18 5.146 4.803 0.343 1
1 95 . 15 1 1 A 18 18 CYS CB C 18 32.565 30.474 2.091 1
1 97 . 15 1 1 A 18 18 CYS C C 18 176.321 175.768 0.553 1
1 99 . 15 1 1 A 19 19 GLY N N 19 113.718 110.109 3.609 1
1 100 . 15 1 1 A 19 19 GLY H H 19 8.339 8.283 0.056 1
1 101 . 15 1 1 A 19 19 GLY CA C 19 46.154 45.069 1.085 1
1 102 . 15 1 1 A 19 19 GLY HA3 H 19 4.167 4.055 0.112 1
1 103 . 15 1 1 A 19 19 GLY C C 19 173.777 174.770 -0.993 1
1 104 . 15 1 1 A 19 19 GLY HA2 H 19 3.733 4.049 -0.316 1
1 105 . 15 1 1 A 20 20 LYS N N 20 122.244 120.447 1.797 1
1 106 . 15 1 1 A 20 20 LYS H H 20 7.876 7.346 0.530 1
1 107 . 15 1 1 A 20 20 LYS CA C 20 58.108 56.269 1.839 1
1 108 . 15 1 1 A 20 20 LYS HA H 20 3.952 4.236 -0.284 1
1 109 . 15 1 1 A 20 20 LYS CB C 20 33.739 34.116 -0.377 1
1 117 . 15 1 1 A 20 20 LYS C C 20 174.125 175.173 -1.048 1
1 122 . 15 1 1 A 21 21 ASN N N 21 118.989 117.806 1.183 1
1 123 . 15 1 1 A 21 21 ASN H H 21 7.986 7.866 0.120 1
1 124 . 15 1 1 A 21 21 ASN CA C 21 52.255 51.684 0.571 1
1 125 . 15 1 1 A 21 21 ASN HA H 21 5.260 5.548 -0.288 1
1 126 . 15 1 1 A 21 21 ASN CB C 21 41.894 42.279 -0.385 1
1 131 . 15 1 1 A 21 21 ASN C C 21 173.974 172.809 1.165 1
1 133 . 15 1 1 A 22 22 PHE N N 22 118.357 121.028 -2.671 1
1 134 . 15 1 1 A 22 22 PHE H H 22 8.729 9.110 -0.381 1
1 135 . 15 1 1 A 22 22 PHE CA C 22 57.281 56.515 0.766 1
1 136 . 15 1 1 A 22 22 PHE HA H 22 4.599 4.769 -0.170 1
1 137 . 15 1 1 A 22 22 PHE CB C 22 43.439 41.200 2.239 1
1 149 . 15 1 1 A 22 22 PHE C C 22 175.459 175.598 -0.139 1
1 151 . 15 1 1 A 23 23 CYS CA C 23 60.735 62.937 -2.202 1
1 152 . 15 1 1 A 23 23 CYS HA H 23 4.382 4.294 0.088 1
1 153 . 15 1 1 A 23 23 CYS CB C 23 27.868 27.544 0.324 1
1 155 . 15 1 1 A 23 23 CYS C C 23 173.938 174.628 -0.690 1
1 157 . 15 1 1 A 24 24 TYR N N 24 114.062 115.478 -1.416 1
1 158 . 15 1 1 A 24 24 TYR H H 24 7.375 7.549 -0.174 1
1 159 . 15 1 1 A 24 24 TYR CA C 24 55.792 56.022 -0.230 1
1 160 . 15 1 1 A 24 24 TYR HA H 24 5.006 4.921 0.085 1
1 161 . 15 1 1 A 24 24 TYR CB C 24 41.225 40.301 0.924 1
1 171 . 15 1 1 A 24 24 TYR C C 24 176.484 175.720 0.764 1
1 173 . 15 1 1 A 25 25 ILE N N 25 125.892 123.624 2.268 1
1 174 . 15 1 1 A 25 25 ILE H H 25 8.886 8.770 0.116 1
1 175 . 15 1 1 A 25 25 ILE CA C 25 63.625 64.475 -0.850 1
1 176 . 15 1 1 A 25 25 ILE HA H 25 3.421 3.436 -0.015 1
1 177 . 15 1 1 A 25 25 ILE CB C 25 37.584 37.332 0.252 1
1 189 . 15 1 1 A 25 25 ILE C C 25 177.052 176.913 0.139 1
1 191 . 15 1 1 A 26 26 SER N N 26 116.283 117.005 -0.722 1
1 192 . 15 1 1 A 26 26 SER H H 26 8.370 8.200 0.170 1
1 193 . 15 1 1 A 26 26 SER CA C 26 60.986 61.660 -0.674 1
1 194 . 15 1 1 A 26 26 SER HA H 26 3.982 3.998 -0.016 1
1 195 . 15 1 1 A 26 26 SER CB C 26 61.572 63.001 -1.429 1
1 197 . 15 1 1 A 26 26 SER C C 26 176.298 177.054 -0.756 1
1 199 . 15 1 1 A 27 27 ALA N N 27 123.029 123.652 -0.623 1
1 200 . 15 1 1 A 27 27 ALA H H 27 6.647 7.937 -1.290 1
1 201 . 15 1 1 A 27 27 ALA CA C 27 54.300 55.048 -0.748 1
1 202 . 15 1 1 A 27 27 ALA HA H 27 4.099 4.103 -0.004 1
1 203 . 15 1 1 A 27 27 ALA CB C 27 19.034 18.027 1.007 1
1 207 . 15 1 1 A 27 27 ALA C C 27 179.963 178.956 1.007 1
1 208 . 15 1 1 A 28 28 LEU N N 28 121.207 119.162 2.045 1
1 209 . 15 1 1 A 28 28 LEU H H 28 7.084 7.236 -0.152 1
1 210 . 15 1 1 A 28 28 LEU CA C 28 57.723 57.149 0.574 1
1 211 . 15 1 1 A 28 28 LEU HA H 28 3.008 2.924 0.084 1
1 212 . 15 1 1 A 28 28 LEU CB C 28 40.253 41.257 -1.004 1
1 224 . 15 1 1 A 28 28 LEU C C 28 177.583 178.417 -0.834 1
1 226 . 15 1 1 A 29 29 ARG N N 29 117.731 118.216 -0.485 1
1 227 . 15 1 1 A 29 29 ARG H H 29 8.183 8.216 -0.033 1
1 228 . 15 1 1 A 29 29 ARG CA C 29 58.953 59.355 -0.402 1
1 229 . 15 1 1 A 29 29 ARG HA H 29 4.100 3.933 0.167 1
1 230 . 15 1 1 A 29 29 ARG CB C 29 29.440 29.921 -0.481 1
1 236 . 15 1 1 A 29 29 ARG C C 29 179.718 178.882 0.836 1
1 240 . 15 1 1 A 30 30 ILE N N 30 119.059 120.291 -1.232 1
1 241 . 15 1 1 A 30 30 ILE H H 30 7.480 7.588 -0.108 1
1 242 . 15 1 1 A 30 30 ILE CA C 30 64.651 64.396 0.255 1
1 243 . 15 1 1 A 30 30 ILE HA H 30 3.612 3.829 -0.217 1
1 244 . 15 1 1 A 30 30 ILE CB C 30 38.266 37.219 1.047 1
1 256 . 15 1 1 A 30 30 ILE C C 30 178.844 178.424 0.420 1
1 258 . 15 1 1 A 31 31 HIS N N 31 120.618 120.241 0.377 1
1 259 . 15 1 1 A 31 31 HIS H H 31 7.565 8.128 -0.563 1
1 260 . 15 1 1 A 31 31 HIS CA C 31 59.193 59.987 -0.794 1
1 261 . 15 1 1 A 31 31 HIS HA H 31 4.187 4.125 0.062 1
1 262 . 15 1 1 A 31 31 HIS CB C 31 28.263 29.787 -1.524 1
1 268 . 15 1 1 A 31 31 HIS C C 31 176.323 177.476 -1.153 1
1 270 . 15 1 1 A 32 32 GLN N N 32 115.336 118.361 -3.025 1
1 271 . 15 1 1 A 32 32 GLN H H 32 8.413 8.416 -0.003 1
1 272 . 15 1 1 A 32 32 GLN CA C 32 59.459 59.032 0.427 1
1 273 . 15 1 1 A 32 32 GLN HA H 32 3.578 3.818 -0.240 1
1 274 . 15 1 1 A 32 32 GLN CB C 32 28.370 28.207 0.163 1
1 281 . 15 1 1 A 32 32 GLN C C 32 177.630 178.537 -0.907 1
1 284 . 15 1 1 A 33 33 ARG N N 33 118.205 119.969 -1.764 1
1 285 . 15 1 1 A 33 33 ARG H H 33 7.230 7.960 -0.730 1
1 286 . 15 1 1 A 33 33 ARG CA C 33 58.907 58.593 0.314 1
1 287 . 15 1 1 A 33 33 ARG HA H 33 4.017 4.046 -0.029 1
1 288 . 15 1 1 A 33 33 ARG CB C 33 29.906 29.936 -0.030 1
1 294 . 15 1 1 A 33 33 ARG C C 33 178.998 178.417 0.581 1
1 298 . 15 1 1 A 34 34 VAL N N 34 116.652 117.261 -0.609 1
1 299 . 15 1 1 A 34 34 VAL H H 34 7.929 7.749 0.180 1
1 300 . 15 1 1 A 34 34 VAL CA C 34 64.172 65.321 -1.149 1
1 301 . 15 1 1 A 34 34 VAL HA H 34 3.849 3.812 0.037 1
1 302 . 15 1 1 A 34 34 VAL CB C 34 31.027 31.162 -0.135 1
1 312 . 15 1 1 A 34 34 VAL C C 34 177.609 177.567 0.042 1
1 313 . 15 1 1 A 35 35 HIS N N 35 116.579 119.360 -2.781 1
1 314 . 15 1 1 A 35 35 HIS H H 35 7.002 7.564 -0.562 1
1 315 . 15 1 1 A 35 35 HIS CA C 35 54.913 58.386 -3.473 1
1 316 . 15 1 1 A 35 35 HIS HA H 35 4.799 4.358 0.441 1
1 317 . 15 1 1 A 35 35 HIS CB C 35 28.576 30.722 -2.146 1
1 323 . 15 1 1 A 35 35 HIS C C 35 175.666 175.338 0.328 1
1 325 . 15 1 1 A 36 36 MET N N 36 118.563 116.598 1.965 1
1 326 . 15 1 1 A 36 36 MET H H 36 7.508 7.582 -0.074 1
1 327 . 15 1 1 A 36 36 MET CA C 36 56.556 53.959 2.597 1
1 328 . 15 1 1 A 36 36 MET HA H 36 4.389 4.554 -0.165 1
1 329 . 15 1 1 A 36 36 MET CB C 36 32.971 34.752 -1.781 1
1 337 . 15 1 1 A 36 36 MET C C 36 176.824 175.937 0.887 1
1 340 . 15 1 1 A 37 37 GLY N N 37 108.831 108.551 0.280 1
1 341 . 15 1 1 A 37 37 GLY H H 37 8.190 8.322 -0.132 1
1 342 . 15 1 1 A 37 37 GLY CA C 37 45.478 45.784 -0.306 1
1 343 . 15 1 1 A 37 37 GLY HA3 H 37 3.944 4.149 -0.205 1
1 344 . 15 1 1 A 37 37 GLY C C 37 174.378 173.707 0.671 1
1 345 . 15 1 1 A 37 37 GLY HA2 H 37 3.944 4.143 -0.199 1
1 346 . 15 1 1 A 38 38 GLU N N 38 120.546 120.391 0.155 1
1 347 . 15 1 1 A 38 38 GLU H H 38 8.102 7.855 0.247 1
1 348 . 15 1 1 A 38 38 GLU CA C 38 56.637 55.112 1.525 1
1 349 . 15 1 1 A 38 38 GLU HA H 38 4.234 4.765 -0.531 1
1 350 . 15 1 1 A 38 38 GLU CB C 38 30.266 32.181 -1.915 1
1 354 . 15 1 1 A 38 38 GLU C C 38 176.786 174.962 1.824 1
1 357 . 15 1 1 A 39 39 LYS N N 39 121.499 123.617 -2.118 1
1 358 . 15 1 1 A 39 39 LYS H H 39 8.275 8.975 -0.700 1
1 359 . 15 1 1 A 39 39 LYS CA C 39 56.239 54.576 1.663 1
1 360 . 15 1 1 A 39 39 LYS HA H 39 4.318 5.189 -0.871 1
1 361 . 15 1 1 A 39 39 LYS CB C 39 32.798 35.130 -2.332 1
1 369 . 15 1 1 A 39 39 LYS C C 39 176.575 175.068 1.507 1
1 374 . 15 1 1 A 40 40 CYS N N 40 120.323 119.953 0.370 1
1 375 . 15 1 1 A 40 40 CYS H H 40 8.318 8.452 -0.134 1
1 376 . 15 1 1 A 40 40 CYS CA C 40 58.407 58.662 -0.255 1
1 377 . 15 1 1 A 40 40 CYS CB C 40 28.054 31.280 -3.226 1
1 1 . 16 1 1 A 9 9 GLY CA C 9 45.281 44.600 0.681 1
1 2 . 16 1 1 A 9 9 GLY HA3 H 9 3.935 4.041 -0.106 1
1 3 . 16 1 1 A 9 9 GLY C C 9 174.135 172.619 1.516 1
1 4 . 16 1 1 A 9 9 GLY HA2 H 9 3.935 4.040 -0.105 1
1 5 . 16 1 1 A 10 10 GLU N N 10 120.713 123.278 -2.565 1
1 6 . 16 1 1 A 10 10 GLU H H 10 8.248 8.754 -0.506 1
1 7 . 16 1 1 A 10 10 GLU CA C 10 56.650 55.672 0.978 1
1 8 . 16 1 1 A 10 10 GLU HA H 10 4.221 4.397 -0.176 1
1 9 . 16 1 1 A 10 10 GLU CB C 10 30.255 31.144 -0.889 1
1 13 . 16 1 1 A 10 10 GLU C C 10 176.461 174.964 1.497 1
1 16 . 16 1 1 A 11 11 LYS N N 11 122.447 124.664 -2.217 1
1 17 . 16 1 1 A 11 11 LYS H H 11 8.369 8.584 -0.215 1
1 18 . 16 1 1 A 11 11 LYS CA C 11 55.860 54.654 1.206 1
1 19 . 16 1 1 A 11 11 LYS HA H 11 4.251 5.251 -1.000 1
1 20 . 16 1 1 A 11 11 LYS CB C 11 32.853 35.619 -2.766 1
1 28 . 16 1 1 A 11 11 LYS C C 11 175.765 174.900 0.865 1
1 33 . 16 1 1 A 12 12 SER N N 12 115.851 119.266 -3.415 1
1 34 . 16 1 1 A 12 12 SER H H 12 7.899 8.659 -0.760 1
1 35 . 16 1 1 A 12 12 SER CA C 12 58.089 57.144 0.945 1
1 36 . 16 1 1 A 12 12 SER HA H 12 4.334 4.790 -0.456 1
1 37 . 16 1 1 A 12 12 SER CB C 12 64.118 65.602 -1.484 1
1 39 . 16 1 1 A 12 12 SER C C 12 173.004 173.176 -0.172 1
1 41 . 16 1 1 A 13 13 HIS N N 13 122.321 122.887 -0.566 1
1 42 . 16 1 1 A 13 13 HIS H H 13 8.450 8.474 -0.024 1
1 43 . 16 1 1 A 13 13 HIS CA C 13 55.542 57.489 -1.947 1
1 44 . 16 1 1 A 13 13 HIS HA H 13 4.711 4.559 0.152 1
1 45 . 16 1 1 A 13 13 HIS CB C 13 31.777 30.032 1.745 1
1 51 . 16 1 1 A 13 13 HIS C C 13 174.797 175.576 -0.779 1
1 53 . 16 1 1 A 14 14 THR N N 14 120.690 118.349 2.341 1
1 54 . 16 1 1 A 14 14 THR H H 14 8.703 9.080 -0.377 1
1 55 . 16 1 1 A 14 14 THR CA C 14 61.874 61.175 0.699 1
1 56 . 16 1 1 A 14 14 THR HA H 14 4.977 4.987 -0.010 1
1 57 . 16 1 1 A 14 14 THR CB C 14 71.173 71.281 -0.108 1
1 63 . 16 1 1 A 14 14 THR C C 14 173.574 173.690 -0.116 1
1 64 . 16 1 1 A 15 15 CYS N N 15 127.944 125.162 2.782 1
1 65 . 16 1 1 A 15 15 CYS H H 15 9.190 9.220 -0.030 1
1 66 . 16 1 1 A 15 15 CYS CA C 15 59.578 59.478 0.100 1
1 67 . 16 1 1 A 15 15 CYS HA H 15 4.496 4.652 -0.156 1
1 68 . 16 1 1 A 15 15 CYS CB C 15 29.551 28.482 1.069 1
1 70 . 16 1 1 A 15 15 CYS C C 15 176.421 175.715 0.706 1
1 72 . 16 1 1 A 16 16 ASP N N 16 132.096 128.808 3.288 1
1 73 . 16 1 1 A 16 16 ASP H H 16 9.243 9.002 0.241 1
1 74 . 16 1 1 A 16 16 ASP CA C 16 56.482 56.132 0.350 1
1 75 . 16 1 1 A 16 16 ASP HA H 16 4.397 4.512 -0.115 1
1 76 . 16 1 1 A 16 16 ASP CB C 16 40.687 40.603 0.084 1
1 78 . 16 1 1 A 16 16 ASP C C 16 176.308 178.045 -1.737 1
1 80 . 16 1 1 A 17 17 GLU N N 17 120.252 119.143 1.109 1
1 81 . 16 1 1 A 17 17 GLU H H 17 8.524 8.009 0.515 1
1 82 . 16 1 1 A 17 17 GLU CA C 17 58.336 59.185 -0.849 1
1 83 . 16 1 1 A 17 17 GLU HA H 17 4.181 3.922 0.259 1
1 84 . 16 1 1 A 17 17 GLU CB C 17 29.651 29.263 0.388 1
1 88 . 16 1 1 A 17 17 GLU C C 17 177.189 178.023 -0.834 1
1 91 . 16 1 1 A 18 18 CYS N N 18 114.371 114.428 -0.057 1
1 92 . 16 1 1 A 18 18 CYS H H 18 7.834 7.861 -0.027 1
1 93 . 16 1 1 A 18 18 CYS CA C 18 58.344 59.459 -1.115 1
1 94 . 16 1 1 A 18 18 CYS HA H 18 5.146 4.812 0.334 1
1 95 . 16 1 1 A 18 18 CYS CB C 18 32.565 30.572 1.993 1
1 97 . 16 1 1 A 18 18 CYS C C 18 176.321 175.921 0.400 1
1 99 . 16 1 1 A 19 19 GLY N N 19 113.718 110.276 3.442 1
1 100 . 16 1 1 A 19 19 GLY H H 19 8.339 8.285 0.054 1
1 101 . 16 1 1 A 19 19 GLY CA C 19 46.154 45.075 1.079 1
1 102 . 16 1 1 A 19 19 GLY HA3 H 19 4.167 4.069 0.098 1
1 103 . 16 1 1 A 19 19 GLY C C 19 173.777 174.550 -0.773 1
1 104 . 16 1 1 A 19 19 GLY HA2 H 19 3.733 4.062 -0.329 1
1 105 . 16 1 1 A 20 20 LYS N N 20 122.244 120.396 1.848 1
1 106 . 16 1 1 A 20 20 LYS H H 20 7.876 7.324 0.552 1
1 107 . 16 1 1 A 20 20 LYS CA C 20 58.108 56.411 1.697 1
1 108 . 16 1 1 A 20 20 LYS HA H 20 3.952 4.128 -0.176 1
1 109 . 16 1 1 A 20 20 LYS CB C 20 33.739 33.740 -0.001 1
1 117 . 16 1 1 A 20 20 LYS C C 20 174.125 175.093 -0.968 1
1 122 . 16 1 1 A 21 21 ASN N N 21 118.989 117.405 1.584 1
1 123 . 16 1 1 A 21 21 ASN H H 21 7.986 8.117 -0.131 1
1 124 . 16 1 1 A 21 21 ASN CA C 21 52.255 51.364 0.891 1
1 125 . 16 1 1 A 21 21 ASN HA H 21 5.260 5.398 -0.138 1
1 126 . 16 1 1 A 21 21 ASN CB C 21 41.894 42.024 -0.130 1
1 131 . 16 1 1 A 21 21 ASN C C 21 173.974 173.513 0.461 1
1 133 . 16 1 1 A 22 22 PHE N N 22 118.357 120.304 -1.947 1
1 134 . 16 1 1 A 22 22 PHE H H 22 8.729 9.119 -0.390 1
1 135 . 16 1 1 A 22 22 PHE CA C 22 57.281 56.310 0.971 1
1 136 . 16 1 1 A 22 22 PHE HA H 22 4.599 4.745 -0.146 1
1 137 . 16 1 1 A 22 22 PHE CB C 22 43.439 40.986 2.453 1
1 149 . 16 1 1 A 22 22 PHE C C 22 175.459 175.644 -0.185 1
1 151 . 16 1 1 A 23 23 CYS CA C 23 60.735 62.927 -2.192 1
1 152 . 16 1 1 A 23 23 CYS HA H 23 4.382 4.535 -0.153 1
1 153 . 16 1 1 A 23 23 CYS CB C 23 27.868 27.525 0.343 1
1 155 . 16 1 1 A 23 23 CYS C C 23 173.938 174.631 -0.693 1
1 157 . 16 1 1 A 24 24 TYR N N 24 114.062 115.705 -1.643 1
1 158 . 16 1 1 A 24 24 TYR H H 24 7.375 7.432 -0.057 1
1 159 . 16 1 1 A 24 24 TYR CA C 24 55.792 56.008 -0.216 1
1 160 . 16 1 1 A 24 24 TYR HA H 24 5.006 4.844 0.162 1
1 161 . 16 1 1 A 24 24 TYR CB C 24 41.225 40.267 0.958 1
1 171 . 16 1 1 A 24 24 TYR C C 24 176.484 175.454 1.030 1
1 173 . 16 1 1 A 25 25 ILE N N 25 125.892 124.113 1.779 1
1 174 . 16 1 1 A 25 25 ILE H H 25 8.886 8.350 0.536 1
1 175 . 16 1 1 A 25 25 ILE CA C 25 63.625 64.314 -0.689 1
1 176 . 16 1 1 A 25 25 ILE HA H 25 3.421 3.375 0.046 1
1 177 . 16 1 1 A 25 25 ILE CB C 25 37.584 37.403 0.181 1
1 189 . 16 1 1 A 25 25 ILE C C 25 177.052 177.440 -0.388 1
1 191 . 16 1 1 A 26 26 SER N N 26 116.283 118.757 -2.474 1
1 192 . 16 1 1 A 26 26 SER H H 26 8.370 8.035 0.335 1
1 193 . 16 1 1 A 26 26 SER CA C 26 60.986 62.111 -1.125 1
1 194 . 16 1 1 A 26 26 SER HA H 26 3.982 4.046 -0.064 1
1 195 . 16 1 1 A 26 26 SER CB C 26 61.572 62.817 -1.245 1
1 197 . 16 1 1 A 26 26 SER C C 26 176.298 176.864 -0.566 1
1 199 . 16 1 1 A 27 27 ALA N N 27 123.029 123.419 -0.390 1
1 200 . 16 1 1 A 27 27 ALA H H 27 6.647 8.183 -1.536 1
1 201 . 16 1 1 A 27 27 ALA CA C 27 54.300 54.988 -0.688 1
1 202 . 16 1 1 A 27 27 ALA HA H 27 4.099 4.224 -0.125 1
1 203 . 16 1 1 A 27 27 ALA CB C 27 19.034 18.236 0.798 1
1 207 . 16 1 1 A 27 27 ALA C C 27 179.963 179.114 0.849 1
1 208 . 16 1 1 A 28 28 LEU N N 28 121.207 119.241 1.966 1
1 209 . 16 1 1 A 28 28 LEU H H 28 7.084 7.298 -0.214 1
1 210 . 16 1 1 A 28 28 LEU CA C 28 57.723 57.246 0.477 1
1 211 . 16 1 1 A 28 28 LEU HA H 28 3.008 2.640 0.368 1
1 212 . 16 1 1 A 28 28 LEU CB C 28 40.253 41.058 -0.805 1
1 224 . 16 1 1 A 28 28 LEU C C 28 177.583 178.420 -0.837 1
1 226 . 16 1 1 A 29 29 ARG N N 29 117.731 118.254 -0.523 1
1 227 . 16 1 1 A 29 29 ARG H H 29 8.183 8.127 0.056 1
1 228 . 16 1 1 A 29 29 ARG CA C 29 58.953 59.702 -0.749 1
1 229 . 16 1 1 A 29 29 ARG HA H 29 4.100 3.948 0.152 1
1 230 . 16 1 1 A 29 29 ARG CB C 29 29.440 29.680 -0.240 1
1 236 . 16 1 1 A 29 29 ARG C C 29 179.718 178.726 0.992 1
1 240 . 16 1 1 A 30 30 ILE N N 30 119.059 120.212 -1.153 1
1 241 . 16 1 1 A 30 30 ILE H H 30 7.480 7.702 -0.222 1
1 242 . 16 1 1 A 30 30 ILE CA C 30 64.651 64.994 -0.343 1
1 243 . 16 1 1 A 30 30 ILE HA H 30 3.612 3.661 -0.049 1
1 244 . 16 1 1 A 30 30 ILE CB C 30 38.266 37.509 0.757 1
1 256 . 16 1 1 A 30 30 ILE C C 30 178.844 178.283 0.561 1
1 258 . 16 1 1 A 31 31 HIS N N 31 120.618 119.891 0.727 1
1 259 . 16 1 1 A 31 31 HIS H H 31 7.565 8.099 -0.534 1
1 260 . 16 1 1 A 31 31 HIS CA C 31 59.193 60.169 -0.976 1
1 261 . 16 1 1 A 31 31 HIS HA H 31 4.187 4.133 0.054 1
1 262 . 16 1 1 A 31 31 HIS CB C 31 28.263 29.823 -1.560 1
1 268 . 16 1 1 A 31 31 HIS C C 31 176.323 177.399 -1.076 1
1 270 . 16 1 1 A 32 32 GLN N N 32 115.336 117.668 -2.332 1
1 271 . 16 1 1 A 32 32 GLN H H 32 8.413 8.424 -0.011 1
1 272 . 16 1 1 A 32 32 GLN CA C 32 59.459 59.012 0.447 1
1 273 . 16 1 1 A 32 32 GLN HA H 32 3.578 3.821 -0.243 1
1 274 . 16 1 1 A 32 32 GLN CB C 32 28.370 28.245 0.125 1
1 281 . 16 1 1 A 32 32 GLN C C 32 177.630 178.595 -0.965 1
1 284 . 16 1 1 A 33 33 ARG N N 33 118.205 120.403 -2.198 1
1 285 . 16 1 1 A 33 33 ARG H H 33 7.230 8.060 -0.830 1
1 286 . 16 1 1 A 33 33 ARG CA C 33 58.907 58.934 -0.027 1
1 287 . 16 1 1 A 33 33 ARG HA H 33 4.017 3.976 0.041 1
1 288 . 16 1 1 A 33 33 ARG CB C 33 29.906 29.870 0.036 1
1 294 . 16 1 1 A 33 33 ARG C C 33 178.998 178.846 0.152 1
1 298 . 16 1 1 A 34 34 VAL N N 34 116.652 116.513 0.139 1
1 299 . 16 1 1 A 34 34 VAL H H 34 7.929 7.815 0.114 1
1 300 . 16 1 1 A 34 34 VAL CA C 34 64.172 65.346 -1.174 1
1 301 . 16 1 1 A 34 34 VAL HA H 34 3.849 3.665 0.184 1
1 302 . 16 1 1 A 34 34 VAL CB C 34 31.027 31.235 -0.208 1
1 312 . 16 1 1 A 34 34 VAL C C 34 177.609 177.807 -0.198 1
1 313 . 16 1 1 A 35 35 HIS N N 35 116.579 120.210 -3.631 1
1 314 . 16 1 1 A 35 35 HIS H H 35 7.002 8.016 -1.014 1
1 315 . 16 1 1 A 35 35 HIS CA C 35 54.913 58.780 -3.867 1
1 316 . 16 1 1 A 35 35 HIS HA H 35 4.799 4.437 0.362 1
1 317 . 16 1 1 A 35 35 HIS CB C 35 28.576 29.709 -1.133 1
1 323 . 16 1 1 A 35 35 HIS C C 35 175.666 176.233 -0.567 1
1 325 . 16 1 1 A 36 36 MET N N 36 118.563 116.235 2.328 1
1 326 . 16 1 1 A 36 36 MET H H 36 7.508 7.864 -0.356 1
1 327 . 16 1 1 A 36 36 MET CA C 36 56.556 54.993 1.563 1
1 328 . 16 1 1 A 36 36 MET HA H 36 4.389 4.610 -0.221 1
1 329 . 16 1 1 A 36 36 MET CB C 36 32.971 31.341 1.630 1
1 337 . 16 1 1 A 36 36 MET C C 36 176.824 174.746 2.078 1
1 340 . 16 1 1 A 37 37 GLY N N 37 108.831 108.333 0.498 1
1 341 . 16 1 1 A 37 37 GLY H H 37 8.190 8.282 -0.092 1
1 342 . 16 1 1 A 37 37 GLY CA C 37 45.478 44.997 0.481 1
1 343 . 16 1 1 A 37 37 GLY HA3 H 37 3.944 4.189 -0.245 1
1 344 . 16 1 1 A 37 37 GLY C C 37 174.378 175.078 -0.700 1
1 345 . 16 1 1 A 37 37 GLY HA2 H 37 3.944 4.184 -0.240 1
1 346 . 16 1 1 A 38 38 GLU N N 38 120.546 125.911 -5.365 1
1 347 . 16 1 1 A 38 38 GLU H H 38 8.102 8.961 -0.859 1
1 348 . 16 1 1 A 38 38 GLU CA C 38 56.637 57.236 -0.599 1
1 349 . 16 1 1 A 38 38 GLU HA H 38 4.234 4.056 0.178 1
1 350 . 16 1 1 A 38 38 GLU CB C 38 30.266 27.428 2.838 1
1 354 . 16 1 1 A 38 38 GLU C C 38 176.786 175.679 1.107 1
1 357 . 16 1 1 A 39 39 LYS N N 39 121.499 113.183 8.316 1
1 358 . 16 1 1 A 39 39 LYS H H 39 8.275 8.412 -0.137 1
1 359 . 16 1 1 A 39 39 LYS CA C 39 56.239 57.145 -0.906 1
1 360 . 16 1 1 A 39 39 LYS HA H 39 4.318 3.861 0.457 1
1 361 . 16 1 1 A 39 39 LYS CB C 39 32.798 29.424 3.374 1
1 369 . 16 1 1 A 39 39 LYS C C 39 176.575 176.127 0.448 1
1 374 . 16 1 1 A 40 40 CYS N N 40 120.323 116.248 4.075 1
1 375 . 16 1 1 A 40 40 CYS H H 40 8.318 8.272 0.046 1
1 376 . 16 1 1 A 40 40 CYS CA C 40 58.407 59.152 -0.745 1
1 377 . 16 1 1 A 40 40 CYS CB C 40 28.054 26.849 1.205 1
1 1 . 17 1 1 A 9 9 GLY CA C 9 45.281 44.577 0.704 1
1 2 . 17 1 1 A 9 9 GLY HA3 H 9 3.935 4.150 -0.215 1
1 3 . 17 1 1 A 9 9 GLY C C 9 174.135 172.515 1.620 1
1 4 . 17 1 1 A 9 9 GLY HA2 H 9 3.935 4.144 -0.209 1
1 5 . 17 1 1 A 10 10 GLU N N 10 120.713 121.037 -0.324 1
1 6 . 17 1 1 A 10 10 GLU H H 10 8.248 8.619 -0.371 1
1 7 . 17 1 1 A 10 10 GLU CA C 10 56.650 56.207 0.443 1
1 8 . 17 1 1 A 10 10 GLU HA H 10 4.221 4.575 -0.354 1
1 9 . 17 1 1 A 10 10 GLU CB C 10 30.255 32.373 -2.118 1
1 13 . 17 1 1 A 10 10 GLU C C 10 176.461 175.552 0.909 1
1 16 . 17 1 1 A 11 11 LYS N N 11 122.447 126.385 -3.938 1
1 17 . 17 1 1 A 11 11 LYS H H 11 8.369 9.008 -0.639 1
1 18 . 17 1 1 A 11 11 LYS CA C 11 55.860 57.131 -1.271 1
1 19 . 17 1 1 A 11 11 LYS HA H 11 4.251 3.875 0.376 1
1 20 . 17 1 1 A 11 11 LYS CB C 11 32.853 31.060 1.793 1
1 28 . 17 1 1 A 11 11 LYS C C 11 175.765 175.666 0.099 1
1 33 . 17 1 1 A 12 12 SER N N 12 115.851 113.851 2.000 1
1 34 . 17 1 1 A 12 12 SER H H 12 7.899 7.742 0.157 1
1 35 . 17 1 1 A 12 12 SER CA C 12 58.089 56.130 1.959 1
1 36 . 17 1 1 A 12 12 SER HA H 12 4.334 4.778 -0.444 1
1 37 . 17 1 1 A 12 12 SER CB C 12 64.118 65.557 -1.439 1
1 39 . 17 1 1 A 12 12 SER C C 12 173.004 173.539 -0.535 1
1 41 . 17 1 1 A 13 13 HIS N N 13 122.321 124.586 -2.265 1
1 42 . 17 1 1 A 13 13 HIS H H 13 8.450 8.534 -0.084 1
1 43 . 17 1 1 A 13 13 HIS CA C 13 55.542 55.571 -0.029 1
1 44 . 17 1 1 A 13 13 HIS HA H 13 4.711 4.899 -0.188 1
1 45 . 17 1 1 A 13 13 HIS CB C 13 31.777 29.992 1.785 1
1 51 . 17 1 1 A 13 13 HIS C C 13 174.797 175.116 -0.319 1
1 53 . 17 1 1 A 14 14 THR N N 14 120.690 118.307 2.383 1
1 54 . 17 1 1 A 14 14 THR H H 14 8.703 9.110 -0.407 1
1 55 . 17 1 1 A 14 14 THR CA C 14 61.874 61.199 0.675 1
1 56 . 17 1 1 A 14 14 THR HA H 14 4.977 4.961 0.016 1
1 57 . 17 1 1 A 14 14 THR CB C 14 71.173 71.236 -0.063 1
1 63 . 17 1 1 A 14 14 THR C C 14 173.574 173.622 -0.048 1
1 64 . 17 1 1 A 15 15 CYS N N 15 127.944 124.974 2.970 1
1 65 . 17 1 1 A 15 15 CYS H H 15 9.190 9.158 0.032 1
1 66 . 17 1 1 A 15 15 CYS CA C 15 59.578 59.151 0.427 1
1 67 . 17 1 1 A 15 15 CYS HA H 15 4.496 4.667 -0.171 1
1 68 . 17 1 1 A 15 15 CYS CB C 15 29.551 28.181 1.370 1
1 70 . 17 1 1 A 15 15 CYS C C 15 176.421 175.731 0.690 1
1 72 . 17 1 1 A 16 16 ASP N N 16 132.096 128.154 3.942 1
1 73 . 17 1 1 A 16 16 ASP H H 16 9.243 8.975 0.268 1
1 74 . 17 1 1 A 16 16 ASP CA C 16 56.482 56.343 0.139 1
1 75 . 17 1 1 A 16 16 ASP HA H 16 4.397 4.420 -0.023 1
1 76 . 17 1 1 A 16 16 ASP CB C 16 40.687 39.684 1.003 1
1 78 . 17 1 1 A 16 16 ASP C C 16 176.308 178.330 -2.022 1
1 80 . 17 1 1 A 17 17 GLU N N 17 120.252 119.939 0.313 1
1 81 . 17 1 1 A 17 17 GLU H H 17 8.524 8.153 0.371 1
1 82 . 17 1 1 A 17 17 GLU CA C 17 58.336 58.837 -0.501 1
1 83 . 17 1 1 A 17 17 GLU HA H 17 4.181 3.929 0.252 1
1 84 . 17 1 1 A 17 17 GLU CB C 17 29.651 28.878 0.773 1
1 88 . 17 1 1 A 17 17 GLU C C 17 177.189 178.176 -0.987 1
1 91 . 17 1 1 A 18 18 CYS N N 18 114.371 114.891 -0.520 1
1 92 . 17 1 1 A 18 18 CYS H H 18 7.834 8.005 -0.171 1
1 93 . 17 1 1 A 18 18 CYS CA C 18 58.344 59.532 -1.188 1
1 94 . 17 1 1 A 18 18 CYS HA H 18 5.146 4.756 0.390 1
1 95 . 17 1 1 A 18 18 CYS CB C 18 32.565 30.049 2.516 1
1 97 . 17 1 1 A 18 18 CYS C C 18 176.321 175.572 0.749 1
1 99 . 17 1 1 A 19 19 GLY N N 19 113.718 110.103 3.615 1
1 100 . 17 1 1 A 19 19 GLY H H 19 8.339 8.281 0.058 1
1 101 . 17 1 1 A 19 19 GLY CA C 19 46.154 45.107 1.047 1
1 102 . 17 1 1 A 19 19 GLY HA3 H 19 4.167 4.064 0.103 1
1 103 . 17 1 1 A 19 19 GLY C C 19 173.777 174.494 -0.717 1
1 104 . 17 1 1 A 19 19 GLY HA2 H 19 3.733 4.057 -0.324 1
1 105 . 17 1 1 A 20 20 LYS N N 20 122.244 120.315 1.929 1
1 106 . 17 1 1 A 20 20 LYS H H 20 7.876 7.266 0.610 1
1 107 . 17 1 1 A 20 20 LYS CA C 20 58.108 56.145 1.963 1
1 108 . 17 1 1 A 20 20 LYS HA H 20 3.952 4.183 -0.231 1
1 109 . 17 1 1 A 20 20 LYS CB C 20 33.739 33.745 -0.006 1
1 117 . 17 1 1 A 20 20 LYS C C 20 174.125 175.211 -1.086 1
1 122 . 17 1 1 A 21 21 ASN N N 21 118.989 117.248 1.741 1
1 123 . 17 1 1 A 21 21 ASN H H 21 7.986 8.125 -0.139 1
1 124 . 17 1 1 A 21 21 ASN CA C 21 52.255 51.406 0.849 1
1 125 . 17 1 1 A 21 21 ASN HA H 21 5.260 5.405 -0.145 1
1 126 . 17 1 1 A 21 21 ASN CB C 21 41.894 42.105 -0.211 1
1 131 . 17 1 1 A 21 21 ASN C C 21 173.974 173.538 0.436 1
1 133 . 17 1 1 A 22 22 PHE N N 22 118.357 120.454 -2.097 1
1 134 . 17 1 1 A 22 22 PHE H H 22 8.729 9.086 -0.357 1
1 135 . 17 1 1 A 22 22 PHE CA C 22 57.281 56.239 1.042 1
1 136 . 17 1 1 A 22 22 PHE HA H 22 4.599 4.756 -0.157 1
1 137 . 17 1 1 A 22 22 PHE CB C 22 43.439 40.965 2.474 1
1 149 . 17 1 1 A 22 22 PHE C C 22 175.459 175.807 -0.348 1
1 151 . 17 1 1 A 23 23 CYS CA C 23 60.735 63.186 -2.451 1
1 152 . 17 1 1 A 23 23 CYS HA H 23 4.382 4.335 0.047 1
1 153 . 17 1 1 A 23 23 CYS CB C 23 27.868 27.841 0.027 1
1 155 . 17 1 1 A 23 23 CYS C C 23 173.938 175.298 -1.360 1
1 157 . 17 1 1 A 24 24 TYR N N 24 114.062 118.366 -4.304 1
1 158 . 17 1 1 A 24 24 TYR H H 24 7.375 7.559 -0.184 1
1 159 . 17 1 1 A 24 24 TYR CA C 24 55.792 56.046 -0.254 1
1 160 . 17 1 1 A 24 24 TYR HA H 24 5.006 4.863 0.143 1
1 161 . 17 1 1 A 24 24 TYR CB C 24 41.225 40.328 0.897 1
1 171 . 17 1 1 A 24 24 TYR C C 24 176.484 175.686 0.798 1
1 173 . 17 1 1 A 25 25 ILE N N 25 125.892 123.429 2.463 1
1 174 . 17 1 1 A 25 25 ILE H H 25 8.886 8.414 0.472 1
1 175 . 17 1 1 A 25 25 ILE CA C 25 63.625 64.324 -0.699 1
1 176 . 17 1 1 A 25 25 ILE HA H 25 3.421 3.215 0.206 1
1 177 . 17 1 1 A 25 25 ILE CB C 25 37.584 37.291 0.293 1
1 189 . 17 1 1 A 25 25 ILE C C 25 177.052 177.479 -0.427 1
1 191 . 17 1 1 A 26 26 SER N N 26 116.283 118.477 -2.194 1
1 192 . 17 1 1 A 26 26 SER H H 26 8.370 8.021 0.349 1
1 193 . 17 1 1 A 26 26 SER CA C 26 60.986 62.076 -1.090 1
1 194 . 17 1 1 A 26 26 SER HA H 26 3.982 4.027 -0.045 1
1 195 . 17 1 1 A 26 26 SER CB C 26 61.572 62.590 -1.018 1
1 197 . 17 1 1 A 26 26 SER C C 26 176.298 176.794 -0.496 1
1 199 . 17 1 1 A 27 27 ALA N N 27 123.029 123.437 -0.408 1
1 200 . 17 1 1 A 27 27 ALA H H 27 6.647 7.863 -1.216 1
1 201 . 17 1 1 A 27 27 ALA CA C 27 54.300 55.003 -0.703 1
1 202 . 17 1 1 A 27 27 ALA HA H 27 4.099 4.158 -0.059 1
1 203 . 17 1 1 A 27 27 ALA CB C 27 19.034 18.121 0.913 1
1 207 . 17 1 1 A 27 27 ALA C C 27 179.963 179.103 0.860 1
1 208 . 17 1 1 A 28 28 LEU N N 28 121.207 119.212 1.995 1
1 209 . 17 1 1 A 28 28 LEU H H 28 7.084 7.292 -0.208 1
1 210 . 17 1 1 A 28 28 LEU CA C 28 57.723 57.266 0.457 1
1 211 . 17 1 1 A 28 28 LEU HA H 28 3.008 2.692 0.316 1
1 212 . 17 1 1 A 28 28 LEU CB C 28 40.253 41.218 -0.965 1
1 224 . 17 1 1 A 28 28 LEU C C 28 177.583 178.402 -0.819 1
1 226 . 17 1 1 A 29 29 ARG N N 29 117.731 118.222 -0.491 1
1 227 . 17 1 1 A 29 29 ARG H H 29 8.183 8.155 0.028 1
1 228 . 17 1 1 A 29 29 ARG CA C 29 58.953 59.694 -0.741 1
1 229 . 17 1 1 A 29 29 ARG HA H 29 4.100 3.931 0.169 1
1 230 . 17 1 1 A 29 29 ARG CB C 29 29.440 29.623 -0.183 1
1 236 . 17 1 1 A 29 29 ARG C C 29 179.718 178.539 1.179 1
1 240 . 17 1 1 A 30 30 ILE N N 30 119.059 119.917 -0.858 1
1 241 . 17 1 1 A 30 30 ILE H H 30 7.480 7.575 -0.095 1
1 242 . 17 1 1 A 30 30 ILE CA C 30 64.651 64.997 -0.346 1
1 243 . 17 1 1 A 30 30 ILE HA H 30 3.612 3.665 -0.053 1
1 244 . 17 1 1 A 30 30 ILE CB C 30 38.266 37.615 0.651 1
1 256 . 17 1 1 A 30 30 ILE C C 30 178.844 178.362 0.482 1
1 258 . 17 1 1 A 31 31 HIS N N 31 120.618 119.884 0.734 1
1 259 . 17 1 1 A 31 31 HIS H H 31 7.565 8.136 -0.571 1
1 260 . 17 1 1 A 31 31 HIS CA C 31 59.193 60.104 -0.911 1
1 261 . 17 1 1 A 31 31 HIS HA H 31 4.187 4.115 0.072 1
1 262 . 17 1 1 A 31 31 HIS CB C 31 28.263 29.606 -1.343 1
1 268 . 17 1 1 A 31 31 HIS C C 31 176.323 177.221 -0.898 1
1 270 . 17 1 1 A 32 32 GLN N N 32 115.336 117.519 -2.183 1
1 271 . 17 1 1 A 32 32 GLN H H 32 8.413 8.487 -0.074 1
1 272 . 17 1 1 A 32 32 GLN CA C 32 59.459 58.976 0.483 1
1 273 . 17 1 1 A 32 32 GLN HA H 32 3.578 3.833 -0.255 1
1 274 . 17 1 1 A 32 32 GLN CB C 32 28.370 28.199 0.171 1
1 281 . 17 1 1 A 32 32 GLN C C 32 177.630 178.737 -1.107 1
1 284 . 17 1 1 A 33 33 ARG N N 33 118.205 120.115 -1.910 1
1 285 . 17 1 1 A 33 33 ARG H H 33 7.230 8.050 -0.820 1
1 286 . 17 1 1 A 33 33 ARG CA C 33 58.907 58.890 0.017 1
1 287 . 17 1 1 A 33 33 ARG HA H 33 4.017 4.030 -0.013 1
1 288 . 17 1 1 A 33 33 ARG CB C 33 29.906 29.977 -0.071 1
1 294 . 17 1 1 A 33 33 ARG C C 33 178.998 178.700 0.298 1
1 298 . 17 1 1 A 34 34 VAL N N 34 116.652 116.320 0.332 1
1 299 . 17 1 1 A 34 34 VAL H H 34 7.929 7.869 0.060 1
1 300 . 17 1 1 A 34 34 VAL CA C 34 64.172 65.262 -1.090 1
1 301 . 17 1 1 A 34 34 VAL HA H 34 3.849 3.694 0.155 1
1 302 . 17 1 1 A 34 34 VAL CB C 34 31.027 31.326 -0.299 1
1 312 . 17 1 1 A 34 34 VAL C C 34 177.609 178.049 -0.440 1
1 313 . 17 1 1 A 35 35 HIS N N 35 116.579 120.108 -3.529 1
1 314 . 17 1 1 A 35 35 HIS H H 35 7.002 7.896 -0.894 1
1 315 . 17 1 1 A 35 35 HIS CA C 35 54.913 58.870 -3.957 1
1 316 . 17 1 1 A 35 35 HIS HA H 35 4.799 4.274 0.525 1
1 317 . 17 1 1 A 35 35 HIS CB C 35 28.576 29.849 -1.273 1
1 323 . 17 1 1 A 35 35 HIS C C 35 175.666 175.993 -0.327 1
1 325 . 17 1 1 A 36 36 MET N N 36 118.563 117.213 1.350 1
1 326 . 17 1 1 A 36 36 MET H H 36 7.508 7.571 -0.063 1
1 327 . 17 1 1 A 36 36 MET CA C 36 56.556 57.147 -0.591 1
1 328 . 17 1 1 A 36 36 MET HA H 36 4.389 4.186 0.203 1
1 329 . 17 1 1 A 36 36 MET CB C 36 32.971 32.715 0.256 1
1 337 . 17 1 1 A 36 36 MET C C 36 176.824 176.279 0.545 1
1 340 . 17 1 1 A 37 37 GLY N N 37 108.831 113.443 -4.612 1
1 341 . 17 1 1 A 37 37 GLY H H 37 8.190 8.384 -0.194 1
1 342 . 17 1 1 A 37 37 GLY CA C 37 45.478 46.058 -0.580 1
1 343 . 17 1 1 A 37 37 GLY HA3 H 37 3.944 4.127 -0.183 1
1 344 . 17 1 1 A 37 37 GLY C C 37 174.378 174.681 -0.303 1
1 345 . 17 1 1 A 37 37 GLY HA2 H 37 3.944 4.120 -0.176 1
1 346 . 17 1 1 A 38 38 GLU N N 38 120.546 119.694 0.852 1
1 347 . 17 1 1 A 38 38 GLU H H 38 8.102 7.909 0.193 1
1 348 . 17 1 1 A 38 38 GLU CA C 38 56.637 55.831 0.806 1
1 349 . 17 1 1 A 38 38 GLU HA H 38 4.234 4.423 -0.189 1
1 350 . 17 1 1 A 38 38 GLU CB C 38 30.266 28.869 1.397 1
1 354 . 17 1 1 A 38 38 GLU C C 38 176.786 175.463 1.323 1
1 357 . 17 1 1 A 39 39 LYS N N 39 121.499 126.485 -4.986 1
1 358 . 17 1 1 A 39 39 LYS H H 39 8.275 8.533 -0.258 1
1 359 . 17 1 1 A 39 39 LYS CA C 39 56.239 54.817 1.422 1
1 360 . 17 1 1 A 39 39 LYS HA H 39 4.318 4.824 -0.506 1
1 361 . 17 1 1 A 39 39 LYS CB C 39 32.798 34.133 -1.335 1
1 369 . 17 1 1 A 39 39 LYS C C 39 176.575 175.693 0.882 1
1 374 . 17 1 1 A 40 40 CYS N N 40 120.323 126.161 -5.838 1
1 375 . 17 1 1 A 40 40 CYS H H 40 8.318 8.651 -0.333 1
1 376 . 17 1 1 A 40 40 CYS CA C 40 58.407 59.916 -1.509 1
1 377 . 17 1 1 A 40 40 CYS CB C 40 28.054 28.656 -0.602 1
1 1 . 18 1 1 A 9 9 GLY CA C 9 45.281 46.561 -1.280 1
1 2 . 18 1 1 A 9 9 GLY HA3 H 9 3.935 4.048 -0.113 1
1 3 . 18 1 1 A 9 9 GLY C C 9 174.135 175.479 -1.344 1
1 4 . 18 1 1 A 9 9 GLY HA2 H 9 3.935 4.035 -0.100 1
1 5 . 18 1 1 A 10 10 GLU N N 10 120.713 119.446 1.267 1
1 6 . 18 1 1 A 10 10 GLU H H 10 8.248 8.188 0.060 1
1 7 . 18 1 1 A 10 10 GLU CA C 10 56.650 59.366 -2.716 1
1 8 . 18 1 1 A 10 10 GLU HA H 10 4.221 4.106 0.115 1
1 9 . 18 1 1 A 10 10 GLU CB C 10 30.255 29.099 1.156 1
1 13 . 18 1 1 A 10 10 GLU C C 10 176.461 176.893 -0.432 1
1 16 . 18 1 1 A 11 11 LYS N N 11 122.447 120.784 1.663 1
1 17 . 18 1 1 A 11 11 LYS H H 11 8.369 7.343 1.026 1
1 18 . 18 1 1 A 11 11 LYS CA C 11 55.860 56.396 -0.536 1
1 19 . 18 1 1 A 11 11 LYS HA H 11 4.251 4.289 -0.038 1
1 20 . 18 1 1 A 11 11 LYS CB C 11 32.853 33.187 -0.334 1
1 28 . 18 1 1 A 11 11 LYS C C 11 175.765 176.161 -0.396 1
1 33 . 18 1 1 A 12 12 SER N N 12 115.851 113.448 2.403 1
1 34 . 18 1 1 A 12 12 SER H H 12 7.899 8.769 -0.870 1
1 35 . 18 1 1 A 12 12 SER CA C 12 58.089 57.326 0.763 1
1 36 . 18 1 1 A 12 12 SER HA H 12 4.334 4.974 -0.640 1
1 37 . 18 1 1 A 12 12 SER CB C 12 64.118 65.837 -1.719 1
1 39 . 18 1 1 A 12 12 SER C C 12 173.004 172.967 0.037 1
1 41 . 18 1 1 A 13 13 HIS N N 13 122.321 124.810 -2.489 1
1 42 . 18 1 1 A 13 13 HIS H H 13 8.450 8.257 0.193 1
1 43 . 18 1 1 A 13 13 HIS CA C 13 55.542 57.147 -1.605 1
1 44 . 18 1 1 A 13 13 HIS HA H 13 4.711 4.654 0.057 1
1 45 . 18 1 1 A 13 13 HIS CB C 13 31.777 30.854 0.923 1
1 51 . 18 1 1 A 13 13 HIS C C 13 174.797 175.783 -0.986 1
1 53 . 18 1 1 A 14 14 THR N N 14 120.690 117.079 3.611 1
1 54 . 18 1 1 A 14 14 THR H H 14 8.703 8.865 -0.162 1
1 55 . 18 1 1 A 14 14 THR CA C 14 61.874 61.187 0.687 1
1 56 . 18 1 1 A 14 14 THR HA H 14 4.977 4.999 -0.022 1
1 57 . 18 1 1 A 14 14 THR CB C 14 71.173 71.425 -0.252 1
1 63 . 18 1 1 A 14 14 THR C C 14 173.574 173.559 0.015 1
1 64 . 18 1 1 A 15 15 CYS N N 15 127.944 124.937 3.007 1
1 65 . 18 1 1 A 15 15 CYS H H 15 9.190 8.778 0.412 1
1 66 . 18 1 1 A 15 15 CYS CA C 15 59.578 58.864 0.714 1
1 67 . 18 1 1 A 15 15 CYS HA H 15 4.496 4.620 -0.124 1
1 68 . 18 1 1 A 15 15 CYS CB C 15 29.551 28.209 1.342 1
1 70 . 18 1 1 A 15 15 CYS C C 15 176.421 175.851 0.570 1
1 72 . 18 1 1 A 16 16 ASP N N 16 132.096 128.058 4.038 1
1 73 . 18 1 1 A 16 16 ASP H H 16 9.243 8.956 0.287 1
1 74 . 18 1 1 A 16 16 ASP CA C 16 56.482 56.465 0.017 1
1 75 . 18 1 1 A 16 16 ASP HA H 16 4.397 4.506 -0.109 1
1 76 . 18 1 1 A 16 16 ASP CB C 16 40.687 40.396 0.291 1
1 78 . 18 1 1 A 16 16 ASP C C 16 176.308 178.190 -1.882 1
1 80 . 18 1 1 A 17 17 GLU N N 17 120.252 119.062 1.190 1
1 81 . 18 1 1 A 17 17 GLU H H 17 8.524 7.874 0.650 1
1 82 . 18 1 1 A 17 17 GLU CA C 17 58.336 58.993 -0.657 1
1 83 . 18 1 1 A 17 17 GLU HA H 17 4.181 3.929 0.252 1
1 84 . 18 1 1 A 17 17 GLU CB C 17 29.651 29.134 0.517 1
1 88 . 18 1 1 A 17 17 GLU C C 17 177.189 178.032 -0.843 1
1 91 . 18 1 1 A 18 18 CYS N N 18 114.371 114.867 -0.496 1
1 92 . 18 1 1 A 18 18 CYS H H 18 7.834 7.839 -0.005 1
1 93 . 18 1 1 A 18 18 CYS CA C 18 58.344 59.507 -1.163 1
1 94 . 18 1 1 A 18 18 CYS HA H 18 5.146 4.780 0.366 1
1 95 . 18 1 1 A 18 18 CYS CB C 18 32.565 30.498 2.067 1
1 97 . 18 1 1 A 18 18 CYS C C 18 176.321 175.716 0.605 1
1 99 . 18 1 1 A 19 19 GLY N N 19 113.718 110.114 3.604 1
1 100 . 18 1 1 A 19 19 GLY H H 19 8.339 8.209 0.130 1
1 101 . 18 1 1 A 19 19 GLY CA C 19 46.154 45.089 1.065 1
1 102 . 18 1 1 A 19 19 GLY HA3 H 19 4.167 4.071 0.096 1
1 103 . 18 1 1 A 19 19 GLY C C 19 173.777 174.680 -0.903 1
1 104 . 18 1 1 A 19 19 GLY HA2 H 19 3.733 4.062 -0.329 1
1 105 . 18 1 1 A 20 20 LYS N N 20 122.244 120.327 1.917 1
1 106 . 18 1 1 A 20 20 LYS H H 20 7.876 7.303 0.573 1
1 107 . 18 1 1 A 20 20 LYS CA C 20 58.108 56.075 2.033 1
1 108 . 18 1 1 A 20 20 LYS HA H 20 3.952 4.249 -0.297 1
1 109 . 18 1 1 A 20 20 LYS CB C 20 33.739 34.122 -0.383 1
1 117 . 18 1 1 A 20 20 LYS C C 20 174.125 174.951 -0.826 1
1 122 . 18 1 1 A 21 21 ASN N N 21 118.989 119.027 -0.038 1
1 123 . 18 1 1 A 21 21 ASN H H 21 7.986 8.052 -0.066 1
1 124 . 18 1 1 A 21 21 ASN CA C 21 52.255 51.517 0.738 1
1 125 . 18 1 1 A 21 21 ASN HA H 21 5.260 5.399 -0.139 1
1 126 . 18 1 1 A 21 21 ASN CB C 21 41.894 42.315 -0.421 1
1 131 . 18 1 1 A 21 21 ASN C C 21 173.974 173.018 0.956 1
1 133 . 18 1 1 A 22 22 PHE N N 22 118.357 121.692 -3.335 1
1 134 . 18 1 1 A 22 22 PHE H H 22 8.729 8.775 -0.046 1
1 135 . 18 1 1 A 22 22 PHE CA C 22 57.281 56.338 0.943 1
1 136 . 18 1 1 A 22 22 PHE HA H 22 4.599 4.769 -0.170 1
1 137 . 18 1 1 A 22 22 PHE CB C 22 43.439 41.135 2.304 1
1 149 . 18 1 1 A 22 22 PHE C C 22 175.459 175.676 -0.217 1
1 151 . 18 1 1 A 23 23 CYS CA C 23 60.735 63.236 -2.501 1
1 152 . 18 1 1 A 23 23 CYS HA H 23 4.382 4.192 0.190 1
1 153 . 18 1 1 A 23 23 CYS CB C 23 27.868 27.753 0.115 1
1 155 . 18 1 1 A 23 23 CYS C C 23 173.938 174.922 -0.984 1
1 157 . 18 1 1 A 24 24 TYR N N 24 114.062 118.386 -4.324 1
1 158 . 18 1 1 A 24 24 TYR H H 24 7.375 7.437 -0.062 1
1 159 . 18 1 1 A 24 24 TYR CA C 24 55.792 55.956 -0.164 1
1 160 . 18 1 1 A 24 24 TYR HA H 24 5.006 4.954 0.052 1
1 161 . 18 1 1 A 24 24 TYR CB C 24 41.225 40.420 0.805 1
1 171 . 18 1 1 A 24 24 TYR C C 24 176.484 175.356 1.128 1
1 173 . 18 1 1 A 25 25 ILE N N 25 125.892 123.702 2.190 1
1 174 . 18 1 1 A 25 25 ILE H H 25 8.886 8.660 0.226 1
1 175 . 18 1 1 A 25 25 ILE CA C 25 63.625 64.382 -0.757 1
1 176 . 18 1 1 A 25 25 ILE HA H 25 3.421 3.373 0.048 1
1 177 . 18 1 1 A 25 25 ILE CB C 25 37.584 37.227 0.357 1
1 189 . 18 1 1 A 25 25 ILE C C 25 177.052 177.354 -0.302 1
1 191 . 18 1 1 A 26 26 SER N N 26 116.283 116.770 -0.487 1
1 192 . 18 1 1 A 26 26 SER H H 26 8.370 8.387 -0.017 1
1 193 . 18 1 1 A 26 26 SER CA C 26 60.986 61.309 -0.323 1
1 194 . 18 1 1 A 26 26 SER HA H 26 3.982 4.161 -0.179 1
1 195 . 18 1 1 A 26 26 SER CB C 26 61.572 62.385 -0.813 1
1 197 . 18 1 1 A 26 26 SER C C 26 176.298 176.984 -0.686 1
1 199 . 18 1 1 A 27 27 ALA N N 27 123.029 124.081 -1.052 1
1 200 . 18 1 1 A 27 27 ALA H H 27 6.647 8.069 -1.422 1
1 201 . 18 1 1 A 27 27 ALA CA C 27 54.300 55.014 -0.714 1
1 202 . 18 1 1 A 27 27 ALA HA H 27 4.099 4.222 -0.123 1
1 203 . 18 1 1 A 27 27 ALA CB C 27 19.034 18.210 0.824 1
1 207 . 18 1 1 A 27 27 ALA C C 27 179.963 179.089 0.874 1
1 208 . 18 1 1 A 28 28 LEU N N 28 121.207 119.210 1.997 1
1 209 . 18 1 1 A 28 28 LEU H H 28 7.084 7.294 -0.210 1
1 210 . 18 1 1 A 28 28 LEU CA C 28 57.723 57.195 0.528 1
1 211 . 18 1 1 A 28 28 LEU HA H 28 3.008 2.484 0.524 1
1 212 . 18 1 1 A 28 28 LEU CB C 28 40.253 41.087 -0.834 1
1 224 . 18 1 1 A 28 28 LEU C C 28 177.583 178.386 -0.803 1
1 226 . 18 1 1 A 29 29 ARG N N 29 117.731 118.197 -0.466 1
1 227 . 18 1 1 A 29 29 ARG H H 29 8.183 8.010 0.173 1
1 228 . 18 1 1 A 29 29 ARG CA C 29 58.953 59.683 -0.730 1
1 229 . 18 1 1 A 29 29 ARG HA H 29 4.100 3.941 0.159 1
1 230 . 18 1 1 A 29 29 ARG CB C 29 29.440 29.669 -0.229 1
1 236 . 18 1 1 A 29 29 ARG C C 29 179.718 178.659 1.059 1
1 240 . 18 1 1 A 30 30 ILE N N 30 119.059 119.855 -0.796 1
1 241 . 18 1 1 A 30 30 ILE H H 30 7.480 7.602 -0.122 1
1 242 . 18 1 1 A 30 30 ILE CA C 30 64.651 64.789 -0.138 1
1 243 . 18 1 1 A 30 30 ILE HA H 30 3.612 3.655 -0.043 1
1 244 . 18 1 1 A 30 30 ILE CB C 30 38.266 37.498 0.768 1
1 256 . 18 1 1 A 30 30 ILE C C 30 178.844 178.343 0.501 1
1 258 . 18 1 1 A 31 31 HIS N N 31 120.618 120.107 0.511 1
1 259 . 18 1 1 A 31 31 HIS H H 31 7.565 8.046 -0.481 1
1 260 . 18 1 1 A 31 31 HIS CA C 31 59.193 60.196 -1.003 1
1 261 . 18 1 1 A 31 31 HIS HA H 31 4.187 4.156 0.031 1
1 262 . 18 1 1 A 31 31 HIS CB C 31 28.263 30.031 -1.768 1
1 268 . 18 1 1 A 31 31 HIS C C 31 176.323 177.549 -1.226 1
1 270 . 18 1 1 A 32 32 GLN N N 32 115.336 117.543 -2.207 1
1 271 . 18 1 1 A 32 32 GLN H H 32 8.413 8.441 -0.028 1
1 272 . 18 1 1 A 32 32 GLN CA C 32 59.459 59.058 0.401 1
1 273 . 18 1 1 A 32 32 GLN HA H 32 3.578 3.835 -0.257 1
1 274 . 18 1 1 A 32 32 GLN CB C 32 28.370 28.150 0.220 1
1 281 . 18 1 1 A 32 32 GLN C C 32 177.630 178.549 -0.919 1
1 284 . 18 1 1 A 33 33 ARG N N 33 118.205 119.928 -1.723 1
1 285 . 18 1 1 A 33 33 ARG H H 33 7.230 7.986 -0.756 1
1 286 . 18 1 1 A 33 33 ARG CA C 33 58.907 58.586 0.321 1
1 287 . 18 1 1 A 33 33 ARG HA H 33 4.017 4.065 -0.048 1
1 288 . 18 1 1 A 33 33 ARG CB C 33 29.906 29.962 -0.056 1
1 294 . 18 1 1 A 33 33 ARG C C 33 178.998 178.357 0.641 1
1 298 . 18 1 1 A 34 34 VAL N N 34 116.652 117.210 -0.558 1
1 299 . 18 1 1 A 34 34 VAL H H 34 7.929 7.698 0.231 1
1 300 . 18 1 1 A 34 34 VAL CA C 34 64.172 65.432 -1.260 1
1 301 . 18 1 1 A 34 34 VAL HA H 34 3.849 3.897 -0.048 1
1 302 . 18 1 1 A 34 34 VAL CB C 34 31.027 31.029 -0.002 1
1 312 . 18 1 1 A 34 34 VAL C C 34 177.609 176.279 1.330 1
1 313 . 18 1 1 A 35 35 HIS N N 35 116.579 118.884 -2.305 1
1 314 . 18 1 1 A 35 35 HIS H H 35 7.002 7.910 -0.908 1
1 315 . 18 1 1 A 35 35 HIS CA C 35 54.913 55.829 -0.916 1
1 316 . 18 1 1 A 35 35 HIS HA H 35 4.799 4.649 0.150 1
1 317 . 18 1 1 A 35 35 HIS CB C 35 28.576 29.486 -0.910 1
1 323 . 18 1 1 A 35 35 HIS C C 35 175.666 174.519 1.147 1
1 325 . 18 1 1 A 36 36 MET N N 36 118.563 119.235 -0.672 1
1 326 . 18 1 1 A 36 36 MET H H 36 7.508 7.717 -0.209 1
1 327 . 18 1 1 A 36 36 MET CA C 36 56.556 54.379 2.177 1
1 328 . 18 1 1 A 36 36 MET HA H 36 4.389 4.876 -0.487 1
1 329 . 18 1 1 A 36 36 MET CB C 36 32.971 35.338 -2.367 1
1 337 . 18 1 1 A 36 36 MET C C 36 176.824 175.882 0.942 1
1 340 . 18 1 1 A 37 37 GLY N N 37 108.831 110.207 -1.376 1
1 341 . 18 1 1 A 37 37 GLY H H 37 8.190 8.181 0.009 1
1 342 . 18 1 1 A 37 37 GLY CA C 37 45.478 45.645 -0.167 1
1 343 . 18 1 1 A 37 37 GLY HA3 H 37 3.944 4.157 -0.213 1
1 344 . 18 1 1 A 37 37 GLY C C 37 174.378 174.549 -0.171 1
1 345 . 18 1 1 A 37 37 GLY HA2 H 37 3.944 4.152 -0.208 1
1 346 . 18 1 1 A 38 38 GLU N N 38 120.546 119.872 0.674 1
1 347 . 18 1 1 A 38 38 GLU H H 38 8.102 8.388 -0.286 1
1 348 . 18 1 1 A 38 38 GLU CA C 38 56.637 57.600 -0.963 1
1 349 . 18 1 1 A 38 38 GLU HA H 38 4.234 4.663 -0.429 1
1 350 . 18 1 1 A 38 38 GLU CB C 38 30.266 32.611 -2.345 1
1 354 . 18 1 1 A 38 38 GLU C C 38 176.786 176.334 0.452 1
1 357 . 18 1 1 A 39 39 LYS N N 39 121.499 119.149 2.350 1
1 358 . 18 1 1 A 39 39 LYS H H 39 8.275 7.681 0.594 1
1 359 . 18 1 1 A 39 39 LYS CA C 39 56.239 56.906 -0.667 1
1 360 . 18 1 1 A 39 39 LYS HA H 39 4.318 4.261 0.057 1
1 361 . 18 1 1 A 39 39 LYS CB C 39 32.798 33.256 -0.458 1
1 369 . 18 1 1 A 39 39 LYS C C 39 176.575 176.456 0.119 1
1 374 . 18 1 1 A 40 40 CYS N N 40 120.323 122.497 -2.174 1
1 375 . 18 1 1 A 40 40 CYS H H 40 8.318 8.802 -0.484 1
1 376 . 18 1 1 A 40 40 CYS CA C 40 58.407 58.538 -0.131 1
1 377 . 18 1 1 A 40 40 CYS CB C 40 28.054 31.920 -3.866 1
1 1 . 19 1 1 A 9 9 GLY CA C 9 45.281 47.041 -1.760 1
1 2 . 19 1 1 A 9 9 GLY HA3 H 9 3.935 3.870 0.065 1
1 3 . 19 1 1 A 9 9 GLY C C 9 174.135 176.185 -2.050 1
1 4 . 19 1 1 A 9 9 GLY HA2 H 9 3.935 3.853 0.082 1
1 5 . 19 1 1 A 10 10 GLU N N 10 120.713 121.502 -0.789 1
1 6 . 19 1 1 A 10 10 GLU H H 10 8.248 8.363 -0.115 1
1 7 . 19 1 1 A 10 10 GLU CA C 10 56.650 59.304 -2.654 1
1 8 . 19 1 1 A 10 10 GLU HA H 10 4.221 4.151 0.070 1
1 9 . 19 1 1 A 10 10 GLU CB C 10 30.255 29.241 1.014 1
1 13 . 19 1 1 A 10 10 GLU C C 10 176.461 176.851 -0.390 1
1 16 . 19 1 1 A 11 11 LYS N N 11 122.447 121.606 0.841 1
1 17 . 19 1 1 A 11 11 LYS H H 11 8.369 7.508 0.861 1
1 18 . 19 1 1 A 11 11 LYS CA C 11 55.860 56.917 -1.057 1
1 19 . 19 1 1 A 11 11 LYS HA H 11 4.251 4.063 0.188 1
1 20 . 19 1 1 A 11 11 LYS CB C 11 32.853 32.983 -0.130 1
1 28 . 19 1 1 A 11 11 LYS C C 11 175.765 175.779 -0.014 1
1 33 . 19 1 1 A 12 12 SER N N 12 115.851 120.111 -4.260 1
1 34 . 19 1 1 A 12 12 SER H H 12 7.899 8.459 -0.560 1
1 35 . 19 1 1 A 12 12 SER CA C 12 58.089 58.558 -0.469 1
1 36 . 19 1 1 A 12 12 SER HA H 12 4.334 4.463 -0.129 1
1 37 . 19 1 1 A 12 12 SER CB C 12 64.118 63.141 0.977 1
1 39 . 19 1 1 A 12 12 SER C C 12 173.004 174.565 -1.561 1
1 41 . 19 1 1 A 13 13 HIS N N 13 122.321 124.461 -2.140 1
1 42 . 19 1 1 A 13 13 HIS H H 13 8.450 8.350 0.100 1
1 43 . 19 1 1 A 13 13 HIS CA C 13 55.542 56.919 -1.377 1
1 44 . 19 1 1 A 13 13 HIS HA H 13 4.711 4.882 -0.171 1
1 45 . 19 1 1 A 13 13 HIS CB C 13 31.777 30.958 0.819 1
1 51 . 19 1 1 A 13 13 HIS C C 13 174.797 175.847 -1.050 1
1 53 . 19 1 1 A 14 14 THR N N 14 120.690 115.517 5.173 1
1 54 . 19 1 1 A 14 14 THR H H 14 8.703 8.714 -0.011 1
1 55 . 19 1 1 A 14 14 THR CA C 14 61.874 61.358 0.516 1
1 56 . 19 1 1 A 14 14 THR HA H 14 4.977 5.018 -0.041 1
1 57 . 19 1 1 A 14 14 THR CB C 14 71.173 71.912 -0.739 1
1 63 . 19 1 1 A 14 14 THR C C 14 173.574 173.677 -0.103 1
1 64 . 19 1 1 A 15 15 CYS N N 15 127.944 125.872 2.072 1
1 65 . 19 1 1 A 15 15 CYS H H 15 9.190 8.834 0.356 1
1 66 . 19 1 1 A 15 15 CYS CA C 15 59.578 59.966 -0.388 1
1 67 . 19 1 1 A 15 15 CYS HA H 15 4.496 4.578 -0.082 1
1 68 . 19 1 1 A 15 15 CYS CB C 15 29.551 28.688 0.863 1
1 70 . 19 1 1 A 15 15 CYS C C 15 176.421 175.936 0.485 1
1 72 . 19 1 1 A 16 16 ASP N N 16 132.096 128.292 3.804 1
1 73 . 19 1 1 A 16 16 ASP H H 16 9.243 9.084 0.159 1
1 74 . 19 1 1 A 16 16 ASP CA C 16 56.482 56.314 0.168 1
1 75 . 19 1 1 A 16 16 ASP HA H 16 4.397 4.415 -0.018 1
1 76 . 19 1 1 A 16 16 ASP CB C 16 40.687 39.787 0.900 1
1 78 . 19 1 1 A 16 16 ASP C C 16 176.308 178.317 -2.009 1
1 80 . 19 1 1 A 17 17 GLU N N 17 120.252 119.966 0.286 1
1 81 . 19 1 1 A 17 17 GLU H H 17 8.524 8.153 0.371 1
1 82 . 19 1 1 A 17 17 GLU CA C 17 58.336 58.839 -0.503 1
1 83 . 19 1 1 A 17 17 GLU HA H 17 4.181 3.918 0.263 1
1 84 . 19 1 1 A 17 17 GLU CB C 17 29.651 28.978 0.673 1
1 88 . 19 1 1 A 17 17 GLU C C 17 177.189 178.052 -0.863 1
1 91 . 19 1 1 A 18 18 CYS N N 18 114.371 114.914 -0.543 1
1 92 . 19 1 1 A 18 18 CYS H H 18 7.834 8.001 -0.167 1
1 93 . 19 1 1 A 18 18 CYS CA C 18 58.344 59.588 -1.244 1
1 94 . 19 1 1 A 18 18 CYS HA H 18 5.146 4.762 0.384 1
1 95 . 19 1 1 A 18 18 CYS CB C 18 32.565 30.092 2.473 1
1 97 . 19 1 1 A 18 18 CYS C C 18 176.321 175.599 0.722 1
1 99 . 19 1 1 A 19 19 GLY N N 19 113.718 110.083 3.635 1
1 100 . 19 1 1 A 19 19 GLY H H 19 8.339 8.073 0.266 1
1 101 . 19 1 1 A 19 19 GLY CA C 19 46.154 45.044 1.110 1
1 102 . 19 1 1 A 19 19 GLY HA3 H 19 4.167 4.085 0.082 1
1 103 . 19 1 1 A 19 19 GLY C C 19 173.777 174.662 -0.885 1
1 104 . 19 1 1 A 19 19 GLY HA2 H 19 3.733 4.077 -0.344 1
1 105 . 19 1 1 A 20 20 LYS N N 20 122.244 120.415 1.829 1
1 106 . 19 1 1 A 20 20 LYS H H 20 7.876 7.405 0.471 1
1 107 . 19 1 1 A 20 20 LYS CA C 20 58.108 56.428 1.680 1
1 108 . 19 1 1 A 20 20 LYS HA H 20 3.952 4.211 -0.259 1
1 109 . 19 1 1 A 20 20 LYS CB C 20 33.739 33.960 -0.221 1
1 117 . 19 1 1 A 20 20 LYS C C 20 174.125 175.150 -1.025 1
1 122 . 19 1 1 A 21 21 ASN N N 21 118.989 118.389 0.600 1
1 123 . 19 1 1 A 21 21 ASN H H 21 7.986 7.937 0.049 1
1 124 . 19 1 1 A 21 21 ASN CA C 21 52.255 51.627 0.628 1
1 125 . 19 1 1 A 21 21 ASN HA H 21 5.260 5.502 -0.242 1
1 126 . 19 1 1 A 21 21 ASN CB C 21 41.894 42.269 -0.375 1
1 131 . 19 1 1 A 21 21 ASN C C 21 173.974 172.865 1.109 1
1 133 . 19 1 1 A 22 22 PHE N N 22 118.357 120.669 -2.312 1
1 134 . 19 1 1 A 22 22 PHE H H 22 8.729 9.042 -0.313 1
1 135 . 19 1 1 A 22 22 PHE CA C 22 57.281 56.470 0.811 1
1 136 . 19 1 1 A 22 22 PHE HA H 22 4.599 4.783 -0.184 1
1 137 . 19 1 1 A 22 22 PHE CB C 22 43.439 41.240 2.199 1
1 149 . 19 1 1 A 22 22 PHE C C 22 175.459 175.569 -0.110 1
1 151 . 19 1 1 A 23 23 CYS CA C 23 60.735 62.881 -2.146 1
1 152 . 19 1 1 A 23 23 CYS HA H 23 4.382 4.264 0.118 1
1 153 . 19 1 1 A 23 23 CYS CB C 23 27.868 27.685 0.183 1
1 155 . 19 1 1 A 23 23 CYS C C 23 173.938 174.553 -0.615 1
1 157 . 19 1 1 A 24 24 TYR N N 24 114.062 115.531 -1.469 1
1 158 . 19 1 1 A 24 24 TYR H H 24 7.375 7.463 -0.088 1
1 159 . 19 1 1 A 24 24 TYR CA C 24 55.792 56.013 -0.221 1
1 160 . 19 1 1 A 24 24 TYR HA H 24 5.006 4.940 0.066 1
1 161 . 19 1 1 A 24 24 TYR CB C 24 41.225 40.338 0.887 1
1 171 . 19 1 1 A 24 24 TYR C C 24 176.484 175.578 0.906 1
1 173 . 19 1 1 A 25 25 ILE N N 25 125.892 124.003 1.889 1
1 174 . 19 1 1 A 25 25 ILE H H 25 8.886 8.757 0.129 1
1 175 . 19 1 1 A 25 25 ILE CA C 25 63.625 64.490 -0.865 1
1 176 . 19 1 1 A 25 25 ILE HA H 25 3.421 3.342 0.079 1
1 177 . 19 1 1 A 25 25 ILE CB C 25 37.584 37.219 0.365 1
1 189 . 19 1 1 A 25 25 ILE C C 25 177.052 177.551 -0.499 1
1 191 . 19 1 1 A 26 26 SER N N 26 116.283 118.418 -2.135 1
1 192 . 19 1 1 A 26 26 SER H H 26 8.370 8.075 0.295 1
1 193 . 19 1 1 A 26 26 SER CA C 26 60.986 62.131 -1.145 1
1 194 . 19 1 1 A 26 26 SER HA H 26 3.982 4.045 -0.063 1
1 195 . 19 1 1 A 26 26 SER CB C 26 61.572 62.838 -1.266 1
1 197 . 19 1 1 A 26 26 SER C C 26 176.298 176.827 -0.529 1
1 199 . 19 1 1 A 27 27 ALA N N 27 123.029 123.372 -0.343 1
1 200 . 19 1 1 A 27 27 ALA H H 27 6.647 7.969 -1.322 1
1 201 . 19 1 1 A 27 27 ALA CA C 27 54.300 55.022 -0.722 1
1 202 . 19 1 1 A 27 27 ALA HA H 27 4.099 4.185 -0.086 1
1 203 . 19 1 1 A 27 27 ALA CB C 27 19.034 18.245 0.789 1
1 207 . 19 1 1 A 27 27 ALA C C 27 179.963 178.935 1.028 1
1 208 . 19 1 1 A 28 28 LEU N N 28 121.207 119.340 1.867 1
1 209 . 19 1 1 A 28 28 LEU H H 28 7.084 7.318 -0.234 1
1 210 . 19 1 1 A 28 28 LEU CA C 28 57.723 57.299 0.424 1
1 211 . 19 1 1 A 28 28 LEU HA H 28 3.008 2.660 0.348 1
1 212 . 19 1 1 A 28 28 LEU CB C 28 40.253 41.249 -0.996 1
1 224 . 19 1 1 A 28 28 LEU C C 28 177.583 178.391 -0.808 1
1 226 . 19 1 1 A 29 29 ARG N N 29 117.731 118.219 -0.488 1
1 227 . 19 1 1 A 29 29 ARG H H 29 8.183 8.064 0.119 1
1 228 . 19 1 1 A 29 29 ARG CA C 29 58.953 59.674 -0.721 1
1 229 . 19 1 1 A 29 29 ARG HA H 29 4.100 3.937 0.163 1
1 230 . 19 1 1 A 29 29 ARG CB C 29 29.440 29.663 -0.223 1
1 236 . 19 1 1 A 29 29 ARG C C 29 179.718 178.538 1.180 1
1 240 . 19 1 1 A 30 30 ILE N N 30 119.059 120.170 -1.111 1
1 241 . 19 1 1 A 30 30 ILE H H 30 7.480 7.650 -0.170 1
1 242 . 19 1 1 A 30 30 ILE CA C 30 64.651 64.948 -0.297 1
1 243 . 19 1 1 A 30 30 ILE HA H 30 3.612 3.648 -0.036 1
1 244 . 19 1 1 A 30 30 ILE CB C 30 38.266 37.470 0.796 1
1 256 . 19 1 1 A 30 30 ILE C C 30 178.844 178.310 0.534 1
1 258 . 19 1 1 A 31 31 HIS N N 31 120.618 119.897 0.721 1
1 259 . 19 1 1 A 31 31 HIS H H 31 7.565 8.038 -0.473 1
1 260 . 19 1 1 A 31 31 HIS CA C 31 59.193 59.900 -0.707 1
1 261 . 19 1 1 A 31 31 HIS HA H 31 4.187 4.156 0.031 1
1 262 . 19 1 1 A 31 31 HIS CB C 31 28.263 29.718 -1.455 1
1 268 . 19 1 1 A 31 31 HIS C C 31 176.323 177.218 -0.895 1
1 270 . 19 1 1 A 32 32 GLN N N 32 115.336 117.229 -1.893 1
1 271 . 19 1 1 A 32 32 GLN H H 32 8.413 8.532 -0.119 1
1 272 . 19 1 1 A 32 32 GLN CA C 32 59.459 59.090 0.369 1
1 273 . 19 1 1 A 32 32 GLN HA H 32 3.578 3.823 -0.245 1
1 274 . 19 1 1 A 32 32 GLN CB C 32 28.370 28.214 0.156 1
1 281 . 19 1 1 A 32 32 GLN C C 32 177.630 178.650 -1.020 1
1 284 . 19 1 1 A 33 33 ARG N N 33 118.205 120.509 -2.304 1
1 285 . 19 1 1 A 33 33 ARG H H 33 7.230 8.055 -0.825 1
1 286 . 19 1 1 A 33 33 ARG CA C 33 58.907 58.926 -0.019 1
1 287 . 19 1 1 A 33 33 ARG HA H 33 4.017 3.967 0.050 1
1 288 . 19 1 1 A 33 33 ARG CB C 33 29.906 29.911 -0.005 1
1 294 . 19 1 1 A 33 33 ARG C C 33 178.998 178.841 0.157 1
1 298 . 19 1 1 A 34 34 VAL N N 34 116.652 116.652 0.000 1
1 299 . 19 1 1 A 34 34 VAL H H 34 7.929 8.004 -0.075 1
1 300 . 19 1 1 A 34 34 VAL CA C 34 64.172 65.481 -1.309 1
1 301 . 19 1 1 A 34 34 VAL HA H 34 3.849 3.673 0.176 1
1 302 . 19 1 1 A 34 34 VAL CB C 34 31.027 31.209 -0.182 1
1 312 . 19 1 1 A 34 34 VAL C C 34 177.609 178.006 -0.397 1
1 313 . 19 1 1 A 35 35 HIS N N 35 116.579 119.727 -3.148 1
1 314 . 19 1 1 A 35 35 HIS H H 35 7.002 7.949 -0.947 1
1 315 . 19 1 1 A 35 35 HIS CA C 35 54.913 58.663 -3.750 1
1 316 . 19 1 1 A 35 35 HIS HA H 35 4.799 4.265 0.534 1
1 317 . 19 1 1 A 35 35 HIS CB C 35 28.576 30.334 -1.758 1
1 323 . 19 1 1 A 35 35 HIS C C 35 175.666 175.934 -0.268 1
1 325 . 19 1 1 A 36 36 MET N N 36 118.563 118.162 0.401 1
1 326 . 19 1 1 A 36 36 MET H H 36 7.508 7.493 0.015 1
1 327 . 19 1 1 A 36 36 MET CA C 36 56.556 57.477 -0.921 1
1 328 . 19 1 1 A 36 36 MET HA H 36 4.389 4.177 0.212 1
1 329 . 19 1 1 A 36 36 MET CB C 36 32.971 32.414 0.557 1
1 337 . 19 1 1 A 36 36 MET C C 36 176.824 177.257 -0.433 1
1 340 . 19 1 1 A 37 37 GLY N N 37 108.831 111.843 -3.012 1
1 341 . 19 1 1 A 37 37 GLY H H 37 8.190 8.810 -0.620 1
1 342 . 19 1 1 A 37 37 GLY CA C 37 45.478 46.310 -0.832 1
1 343 . 19 1 1 A 37 37 GLY HA3 H 37 3.944 4.008 -0.064 1
1 344 . 19 1 1 A 37 37 GLY C C 37 174.378 173.935 0.443 1
1 345 . 19 1 1 A 37 37 GLY HA2 H 37 3.944 4.004 -0.060 1
1 346 . 19 1 1 A 38 38 GLU N N 38 120.546 120.116 0.430 1
1 347 . 19 1 1 A 38 38 GLU H H 38 8.102 8.109 -0.007 1
1 348 . 19 1 1 A 38 38 GLU CA C 38 56.637 54.236 2.401 1
1 349 . 19 1 1 A 38 38 GLU HA H 38 4.234 4.763 -0.529 1
1 350 . 19 1 1 A 38 38 GLU CB C 38 30.266 34.111 -3.845 1
1 354 . 19 1 1 A 38 38 GLU C C 38 176.786 176.474 0.312 1
1 357 . 19 1 1 A 39 39 LYS N N 39 121.499 123.668 -2.169 1
1 358 . 19 1 1 A 39 39 LYS H H 39 8.275 9.314 -1.039 1
1 359 . 19 1 1 A 39 39 LYS CA C 39 56.239 57.243 -1.004 1
1 360 . 19 1 1 A 39 39 LYS HA H 39 4.318 3.926 0.392 1
1 361 . 19 1 1 A 39 39 LYS CB C 39 32.798 31.279 1.519 1
1 369 . 19 1 1 A 39 39 LYS C C 39 176.575 175.621 0.954 1
1 374 . 19 1 1 A 40 40 CYS N N 40 120.323 117.200 3.123 1
1 375 . 19 1 1 A 40 40 CYS H H 40 8.318 8.530 -0.212 1
1 376 . 19 1 1 A 40 40 CYS CA C 40 58.407 59.894 -1.487 1
1 377 . 19 1 1 A 40 40 CYS CB C 40 28.054 25.538 2.516 1
1 1 . 20 1 1 A 9 9 GLY CA C 9 45.281 47.072 -1.791 1
1 2 . 20 1 1 A 9 9 GLY HA3 H 9 3.935 3.814 0.121 1
1 3 . 20 1 1 A 9 9 GLY C C 9 174.135 175.480 -1.345 1
1 4 . 20 1 1 A 9 9 GLY HA2 H 9 3.935 3.811 0.124 1
1 5 . 20 1 1 A 10 10 GLU N N 10 120.713 120.005 0.708 1
1 6 . 20 1 1 A 10 10 GLU H H 10 8.248 8.106 0.142 1
1 7 . 20 1 1 A 10 10 GLU CA C 10 56.650 57.248 -0.598 1
1 8 . 20 1 1 A 10 10 GLU HA H 10 4.221 4.028 0.193 1
1 9 . 20 1 1 A 10 10 GLU CB C 10 30.255 27.424 2.831 1
1 13 . 20 1 1 A 10 10 GLU C C 10 176.461 175.899 0.562 1
1 16 . 20 1 1 A 11 11 LYS N N 11 122.447 121.863 0.584 1
1 17 . 20 1 1 A 11 11 LYS H H 11 8.369 7.681 0.688 1
1 18 . 20 1 1 A 11 11 LYS CA C 11 55.860 54.540 1.320 1
1 19 . 20 1 1 A 11 11 LYS HA H 11 4.251 4.826 -0.575 1
1 20 . 20 1 1 A 11 11 LYS CB C 11 32.853 35.273 -2.420 1
1 28 . 20 1 1 A 11 11 LYS C C 11 175.765 174.933 0.832 1
1 33 . 20 1 1 A 12 12 SER N N 12 115.851 120.175 -4.324 1
1 34 . 20 1 1 A 12 12 SER H H 12 7.899 8.775 -0.876 1
1 35 . 20 1 1 A 12 12 SER CA C 12 58.089 57.548 0.541 1
1 36 . 20 1 1 A 12 12 SER HA H 12 4.334 4.873 -0.539 1
1 37 . 20 1 1 A 12 12 SER CB C 12 64.118 64.085 0.033 1
1 39 . 20 1 1 A 12 12 SER C C 12 173.004 174.677 -1.673 1
1 41 . 20 1 1 A 13 13 HIS N N 13 122.321 123.879 -1.558 1
1 42 . 20 1 1 A 13 13 HIS H H 13 8.450 8.098 0.352 1
1 43 . 20 1 1 A 13 13 HIS CA C 13 55.542 57.696 -2.154 1
1 44 . 20 1 1 A 13 13 HIS HA H 13 4.711 4.621 0.090 1
1 45 . 20 1 1 A 13 13 HIS CB C 13 31.777 30.438 1.339 1
1 51 . 20 1 1 A 13 13 HIS C C 13 174.797 175.675 -0.878 1
1 53 . 20 1 1 A 14 14 THR N N 14 120.690 118.498 2.192 1
1 54 . 20 1 1 A 14 14 THR H H 14 8.703 8.832 -0.129 1
1 55 . 20 1 1 A 14 14 THR CA C 14 61.874 61.278 0.596 1
1 56 . 20 1 1 A 14 14 THR HA H 14 4.977 4.978 -0.001 1
1 57 . 20 1 1 A 14 14 THR CB C 14 71.173 71.260 -0.087 1
1 63 . 20 1 1 A 14 14 THR C C 14 173.574 173.655 -0.081 1
1 64 . 20 1 1 A 15 15 CYS N N 15 127.944 125.698 2.246 1
1 65 . 20 1 1 A 15 15 CYS H H 15 9.190 8.639 0.551 1
1 66 . 20 1 1 A 15 15 CYS CA C 15 59.578 59.885 -0.307 1
1 67 . 20 1 1 A 15 15 CYS HA H 15 4.496 4.644 -0.148 1
1 68 . 20 1 1 A 15 15 CYS CB C 15 29.551 28.651 0.900 1
1 70 . 20 1 1 A 15 15 CYS C C 15 176.421 175.953 0.468 1
1 72 . 20 1 1 A 16 16 ASP N N 16 132.096 129.350 2.746 1
1 73 . 20 1 1 A 16 16 ASP H H 16 9.243 9.162 0.081 1
1 74 . 20 1 1 A 16 16 ASP CA C 16 56.482 56.420 0.062 1
1 75 . 20 1 1 A 16 16 ASP HA H 16 4.397 4.371 0.026 1
1 76 . 20 1 1 A 16 16 ASP CB C 16 40.687 40.936 -0.249 1
1 78 . 20 1 1 A 16 16 ASP C C 16 176.308 177.873 -1.565 1
1 80 . 20 1 1 A 17 17 GLU N N 17 120.252 118.348 1.904 1
1 81 . 20 1 1 A 17 17 GLU H H 17 8.524 8.126 0.398 1
1 82 . 20 1 1 A 17 17 GLU CA C 17 58.336 58.910 -0.574 1
1 83 . 20 1 1 A 17 17 GLU HA H 17 4.181 3.919 0.262 1
1 84 . 20 1 1 A 17 17 GLU CB C 17 29.651 28.858 0.793 1
1 88 . 20 1 1 A 17 17 GLU C C 17 177.189 178.183 -0.994 1
1 91 . 20 1 1 A 18 18 CYS N N 18 114.371 114.907 -0.536 1
1 92 . 20 1 1 A 18 18 CYS H H 18 7.834 8.002 -0.168 1
1 93 . 20 1 1 A 18 18 CYS CA C 18 58.344 59.653 -1.309 1
1 94 . 20 1 1 A 18 18 CYS HA H 18 5.146 4.779 0.367 1
1 95 . 20 1 1 A 18 18 CYS CB C 18 32.565 30.122 2.443 1
1 97 . 20 1 1 A 18 18 CYS C C 18 176.321 175.495 0.826 1
1 99 . 20 1 1 A 19 19 GLY N N 19 113.718 110.112 3.606 1
1 100 . 20 1 1 A 19 19 GLY H H 19 8.339 8.134 0.205 1
1 101 . 20 1 1 A 19 19 GLY CA C 19 46.154 45.175 0.979 1
1 102 . 20 1 1 A 19 19 GLY HA3 H 19 4.167 4.076 0.091 1
1 103 . 20 1 1 A 19 19 GLY C C 19 173.777 174.735 -0.958 1
1 104 . 20 1 1 A 19 19 GLY HA2 H 19 3.733 4.067 -0.334 1
1 105 . 20 1 1 A 20 20 LYS N N 20 122.244 119.923 2.321 1
1 106 . 20 1 1 A 20 20 LYS H H 20 7.876 7.347 0.529 1
1 107 . 20 1 1 A 20 20 LYS CA C 20 58.108 55.889 2.219 1
1 108 . 20 1 1 A 20 20 LYS HA H 20 3.952 4.355 -0.403 1
1 109 . 20 1 1 A 20 20 LYS CB C 20 33.739 34.031 -0.292 1
1 117 . 20 1 1 A 20 20 LYS C C 20 174.125 175.127 -1.002 1
1 122 . 20 1 1 A 21 21 ASN N N 21 118.989 117.680 1.309 1
1 123 . 20 1 1 A 21 21 ASN H H 21 7.986 7.833 0.153 1
1 124 . 20 1 1 A 21 21 ASN CA C 21 52.255 51.658 0.597 1
1 125 . 20 1 1 A 21 21 ASN HA H 21 5.260 5.409 -0.149 1
1 126 . 20 1 1 A 21 21 ASN CB C 21 41.894 42.193 -0.299 1
1 131 . 20 1 1 A 21 21 ASN C C 21 173.974 172.825 1.149 1
1 133 . 20 1 1 A 22 22 PHE N N 22 118.357 121.531 -3.174 1
1 134 . 20 1 1 A 22 22 PHE H H 22 8.729 9.147 -0.418 1
1 135 . 20 1 1 A 22 22 PHE CA C 22 57.281 56.438 0.843 1
1 136 . 20 1 1 A 22 22 PHE HA H 22 4.599 4.796 -0.197 1
1 137 . 20 1 1 A 22 22 PHE CB C 22 43.439 41.185 2.254 1
1 149 . 20 1 1 A 22 22 PHE C C 22 175.459 175.568 -0.109 1
1 151 . 20 1 1 A 23 23 CYS CA C 23 60.735 63.203 -2.468 1
1 152 . 20 1 1 A 23 23 CYS HA H 23 4.382 4.415 -0.033 1
1 153 . 20 1 1 A 23 23 CYS CB C 23 27.868 27.928 -0.060 1
1 155 . 20 1 1 A 23 23 CYS C C 23 173.938 175.137 -1.199 1
1 157 . 20 1 1 A 24 24 TYR N N 24 114.062 118.291 -4.229 1
1 158 . 20 1 1 A 24 24 TYR H H 24 7.375 7.423 -0.048 1
1 159 . 20 1 1 A 24 24 TYR CA C 24 55.792 55.832 -0.040 1
1 160 . 20 1 1 A 24 24 TYR HA H 24 5.006 4.793 0.213 1
1 161 . 20 1 1 A 24 24 TYR CB C 24 41.225 40.367 0.858 1
1 171 . 20 1 1 A 24 24 TYR C C 24 176.484 175.564 0.920 1
1 173 . 20 1 1 A 25 25 ILE N N 25 125.892 123.278 2.614 1
1 174 . 20 1 1 A 25 25 ILE H H 25 8.886 8.437 0.449 1
1 175 . 20 1 1 A 25 25 ILE CA C 25 63.625 64.379 -0.754 1
1 176 . 20 1 1 A 25 25 ILE HA H 25 3.421 3.372 0.049 1
1 177 . 20 1 1 A 25 25 ILE CB C 25 37.584 37.357 0.227 1
1 189 . 20 1 1 A 25 25 ILE C C 25 177.052 176.891 0.161 1
1 191 . 20 1 1 A 26 26 SER N N 26 116.283 116.730 -0.447 1
1 192 . 20 1 1 A 26 26 SER H H 26 8.370 8.174 0.196 1
1 193 . 20 1 1 A 26 26 SER CA C 26 60.986 61.645 -0.659 1
1 194 . 20 1 1 A 26 26 SER HA H 26 3.982 4.001 -0.019 1
1 195 . 20 1 1 A 26 26 SER CB C 26 61.572 63.073 -1.501 1
1 197 . 20 1 1 A 26 26 SER C C 26 176.298 177.081 -0.783 1
1 199 . 20 1 1 A 27 27 ALA N N 27 123.029 123.539 -0.510 1
1 200 . 20 1 1 A 27 27 ALA H H 27 6.647 7.899 -1.252 1
1 201 . 20 1 1 A 27 27 ALA CA C 27 54.300 55.025 -0.725 1
1 202 . 20 1 1 A 27 27 ALA HA H 27 4.099 4.176 -0.077 1
1 203 . 20 1 1 A 27 27 ALA CB C 27 19.034 18.274 0.760 1
1 207 . 20 1 1 A 27 27 ALA C C 27 179.963 179.132 0.831 1
1 208 . 20 1 1 A 28 28 LEU N N 28 121.207 119.134 2.073 1
1 209 . 20 1 1 A 28 28 LEU H H 28 7.084 7.268 -0.184 1
1 210 . 20 1 1 A 28 28 LEU CA C 28 57.723 56.972 0.751 1
1 211 . 20 1 1 A 28 28 LEU HA H 28 3.008 2.623 0.385 1
1 212 . 20 1 1 A 28 28 LEU CB C 28 40.253 41.243 -0.990 1
1 224 . 20 1 1 A 28 28 LEU C C 28 177.583 178.301 -0.718 1
1 226 . 20 1 1 A 29 29 ARG N N 29 117.731 118.370 -0.639 1
1 227 . 20 1 1 A 29 29 ARG H H 29 8.183 8.355 -0.172 1
1 228 . 20 1 1 A 29 29 ARG CA C 29 58.953 59.181 -0.228 1
1 229 . 20 1 1 A 29 29 ARG HA H 29 4.100 3.936 0.164 1
1 230 . 20 1 1 A 29 29 ARG CB C 29 29.440 29.784 -0.344 1
1 236 . 20 1 1 A 29 29 ARG C C 29 179.718 178.881 0.837 1
1 240 . 20 1 1 A 30 30 ILE N N 30 119.059 120.165 -1.106 1
1 241 . 20 1 1 A 30 30 ILE H H 30 7.480 7.659 -0.179 1
1 242 . 20 1 1 A 30 30 ILE CA C 30 64.651 64.614 0.037 1
1 243 . 20 1 1 A 30 30 ILE HA H 30 3.612 3.769 -0.157 1
1 244 . 20 1 1 A 30 30 ILE CB C 30 38.266 37.436 0.830 1
1 256 . 20 1 1 A 30 30 ILE C C 30 178.844 178.483 0.361 1
1 258 . 20 1 1 A 31 31 HIS N N 31 120.618 119.908 0.710 1
1 259 . 20 1 1 A 31 31 HIS H H 31 7.565 7.952 -0.387 1
1 260 . 20 1 1 A 31 31 HIS CA C 31 59.193 59.945 -0.752 1
1 261 . 20 1 1 A 31 31 HIS HA H 31 4.187 4.152 0.035 1
1 262 . 20 1 1 A 31 31 HIS CB C 31 28.263 29.908 -1.645 1
1 268 . 20 1 1 A 31 31 HIS C C 31 176.323 177.210 -0.887 1
1 270 . 20 1 1 A 32 32 GLN N N 32 115.336 117.465 -2.129 1
1 271 . 20 1 1 A 32 32 GLN H H 32 8.413 8.393 0.020 1
1 272 . 20 1 1 A 32 32 GLN CA C 32 59.459 59.130 0.329 1
1 273 . 20 1 1 A 32 32 GLN HA H 32 3.578 3.776 -0.198 1
1 274 . 20 1 1 A 32 32 GLN CB C 32 28.370 28.154 0.216 1
1 281 . 20 1 1 A 32 32 GLN C C 32 177.630 178.438 -0.808 1
1 284 . 20 1 1 A 33 33 ARG N N 33 118.205 120.150 -1.945 1
1 285 . 20 1 1 A 33 33 ARG H H 33 7.230 8.066 -0.836 1
1 286 . 20 1 1 A 33 33 ARG CA C 33 58.907 58.969 -0.062 1
1 287 . 20 1 1 A 33 33 ARG HA H 33 4.017 3.925 0.092 1
1 288 . 20 1 1 A 33 33 ARG CB C 33 29.906 29.944 -0.038 1
1 294 . 20 1 1 A 33 33 ARG C C 33 178.998 178.525 0.473 1
1 298 . 20 1 1 A 34 34 VAL N N 34 116.652 116.970 -0.318 1
1 299 . 20 1 1 A 34 34 VAL H H 34 7.929 8.120 -0.191 1
1 300 . 20 1 1 A 34 34 VAL CA C 34 64.172 65.565 -1.393 1
1 301 . 20 1 1 A 34 34 VAL HA H 34 3.849 3.705 0.144 1
1 302 . 20 1 1 A 34 34 VAL CB C 34 31.027 31.227 -0.200 1
1 312 . 20 1 1 A 34 34 VAL C C 34 177.609 178.194 -0.585 1
1 313 . 20 1 1 A 35 35 HIS N N 35 116.579 119.801 -3.222 1
1 314 . 20 1 1 A 35 35 HIS H H 35 7.002 7.929 -0.927 1
1 315 . 20 1 1 A 35 35 HIS CA C 35 54.913 58.827 -3.914 1
1 316 . 20 1 1 A 35 35 HIS HA H 35 4.799 4.240 0.559 1
1 317 . 20 1 1 A 35 35 HIS CB C 35 28.576 29.745 -1.169 1
1 323 . 20 1 1 A 35 35 HIS C C 35 175.666 175.854 -0.188 1
1 325 . 20 1 1 A 36 36 MET N N 36 118.563 117.500 1.063 1
1 326 . 20 1 1 A 36 36 MET H H 36 7.508 7.352 0.156 1
1 327 . 20 1 1 A 36 36 MET CA C 36 56.556 56.946 -0.390 1
1 328 . 20 1 1 A 36 36 MET HA H 36 4.389 4.225 0.164 1
1 329 . 20 1 1 A 36 36 MET CB C 36 32.971 32.661 0.310 1
1 337 . 20 1 1 A 36 36 MET C C 36 176.824 178.253 -1.429 1
1 340 . 20 1 1 A 37 37 GLY N N 37 108.831 111.186 -2.355 1
1 341 . 20 1 1 A 37 37 GLY H H 37 8.190 8.791 -0.601 1
1 342 . 20 1 1 A 37 37 GLY CA C 37 45.478 47.524 -2.046 1
1 343 . 20 1 1 A 37 37 GLY HA3 H 37 3.944 3.848 0.096 1
1 344 . 20 1 1 A 37 37 GLY C C 37 174.378 175.582 -1.204 1
1 345 . 20 1 1 A 37 37 GLY HA2 H 37 3.944 3.845 0.099 1
1 346 . 20 1 1 A 38 38 GLU N N 38 120.546 119.405 1.141 1
1 347 . 20 1 1 A 38 38 GLU H H 38 8.102 7.900 0.202 1
1 348 . 20 1 1 A 38 38 GLU CA C 38 56.637 57.520 -0.883 1
1 349 . 20 1 1 A 38 38 GLU HA H 38 4.234 4.176 0.058 1
1 350 . 20 1 1 A 38 38 GLU CB C 38 30.266 30.147 0.119 1
1 354 . 20 1 1 A 38 38 GLU C C 38 176.786 176.685 0.101 1
1 357 . 20 1 1 A 39 39 LYS N N 39 121.499 124.111 -2.612 1
1 358 . 20 1 1 A 39 39 LYS H H 39 8.275 8.171 0.104 1
1 359 . 20 1 1 A 39 39 LYS CA C 39 56.239 55.996 0.243 1
1 360 . 20 1 1 A 39 39 LYS HA H 39 4.318 4.603 -0.285 1
1 361 . 20 1 1 A 39 39 LYS CB C 39 32.798 36.275 -3.477 1
1 369 . 20 1 1 A 39 39 LYS C C 39 176.575 174.336 2.239 1
1 374 . 20 1 1 A 40 40 CYS N N 40 120.323 124.637 -4.314 1
1 375 . 20 1 1 A 40 40 CYS H H 40 8.318 8.616 -0.298 1
1 376 . 20 1 1 A 40 40 CYS CA C 40 58.407 59.752 -1.345 1
1 377 . 20 1 1 A 40 40 CYS CB C 40 28.054 28.357 -0.303 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 31 0.973 1
2 1 1 1 "RMS(OBS, PRED)" CA 32 1.226 1
3 1 1 1 "RMS(OBS, PRED)" CB 29 1.366 1
4 1 1 1 "RMS(OBS, PRED)" H 30 0.452 1
5 1 1 1 "RMS(OBS, PRED)" HA 34 0.248 1
6 1 1 1 "RMS(OBS, PRED)" N 30 2.259 1
7 1 2 1 "RMS(OBS, PRED)" C 31 0.910 1
8 1 2 1 "RMS(OBS, PRED)" CA 32 1.553 1
9 1 2 1 "RMS(OBS, PRED)" CB 29 1.046 1
10 1 2 1 "RMS(OBS, PRED)" H 30 0.442 1
11 1 2 1 "RMS(OBS, PRED)" HA 34 0.229 1
12 1 2 1 "RMS(OBS, PRED)" N 30 2.281 1
13 1 3 1 "RMS(OBS, PRED)" C 31 0.937 1
14 1 3 1 "RMS(OBS, PRED)" CA 32 1.097 1
15 1 3 1 "RMS(OBS, PRED)" CB 29 1.247 1
16 1 3 1 "RMS(OBS, PRED)" H 30 0.474 1
17 1 3 1 "RMS(OBS, PRED)" HA 34 0.303 1
18 1 3 1 "RMS(OBS, PRED)" N 30 2.405 1
19 1 4 1 "RMS(OBS, PRED)" C 31 1.021 1
20 1 4 1 "RMS(OBS, PRED)" CA 32 1.394 1
21 1 4 1 "RMS(OBS, PRED)" CB 29 1.531 1
22 1 4 1 "RMS(OBS, PRED)" H 30 0.482 1
23 1 4 1 "RMS(OBS, PRED)" HA 34 0.321 1
24 1 4 1 "RMS(OBS, PRED)" N 30 2.363 1
25 1 5 1 "RMS(OBS, PRED)" C 31 1.041 1
26 1 5 1 "RMS(OBS, PRED)" CA 32 1.054 1
27 1 5 1 "RMS(OBS, PRED)" CB 29 1.283 1
28 1 5 1 "RMS(OBS, PRED)" H 30 0.488 1
29 1 5 1 "RMS(OBS, PRED)" HA 34 0.252 1
30 1 5 1 "RMS(OBS, PRED)" N 30 2.178 1
31 1 6 1 "RMS(OBS, PRED)" C 31 0.733 1
32 1 6 1 "RMS(OBS, PRED)" CA 32 1.248 1
33 1 6 1 "RMS(OBS, PRED)" CB 29 1.112 1
34 1 6 1 "RMS(OBS, PRED)" H 30 0.448 1
35 1 6 1 "RMS(OBS, PRED)" HA 34 0.256 1
36 1 6 1 "RMS(OBS, PRED)" N 30 2.732 1
37 1 7 1 "RMS(OBS, PRED)" C 31 0.945 1
38 1 7 1 "RMS(OBS, PRED)" CA 32 1.229 1
39 1 7 1 "RMS(OBS, PRED)" CB 29 1.151 1
40 1 7 1 "RMS(OBS, PRED)" H 30 0.486 1
41 1 7 1 "RMS(OBS, PRED)" HA 34 0.237 1
42 1 7 1 "RMS(OBS, PRED)" N 30 2.579 1
43 1 8 1 "RMS(OBS, PRED)" C 31 0.968 1
44 1 8 1 "RMS(OBS, PRED)" CA 32 1.111 1
45 1 8 1 "RMS(OBS, PRED)" CB 29 1.371 1
46 1 8 1 "RMS(OBS, PRED)" H 30 0.450 1
47 1 8 1 "RMS(OBS, PRED)" HA 34 0.261 1
48 1 8 1 "RMS(OBS, PRED)" N 30 2.504 1
49 1 9 1 "RMS(OBS, PRED)" C 31 0.947 1
50 1 9 1 "RMS(OBS, PRED)" CA 32 1.347 1
51 1 9 1 "RMS(OBS, PRED)" CB 29 1.322 1
52 1 9 1 "RMS(OBS, PRED)" H 30 0.480 1
53 1 9 1 "RMS(OBS, PRED)" HA 34 0.253 1
54 1 9 1 "RMS(OBS, PRED)" N 30 2.182 1
55 1 10 1 "RMS(OBS, PRED)" C 31 0.921 1
56 1 10 1 "RMS(OBS, PRED)" CA 32 1.282 1
57 1 10 1 "RMS(OBS, PRED)" CB 29 1.310 1
58 1 10 1 "RMS(OBS, PRED)" H 30 0.413 1
59 1 10 1 "RMS(OBS, PRED)" HA 34 0.287 1
60 1 10 1 "RMS(OBS, PRED)" N 30 2.037 1
61 1 11 1 "RMS(OBS, PRED)" C 31 0.754 1
62 1 11 1 "RMS(OBS, PRED)" CA 32 1.460 1
63 1 11 1 "RMS(OBS, PRED)" CB 29 1.208 1
64 1 11 1 "RMS(OBS, PRED)" H 30 0.454 1
65 1 11 1 "RMS(OBS, PRED)" HA 34 0.292 1
66 1 11 1 "RMS(OBS, PRED)" N 30 2.361 1
67 1 12 1 "RMS(OBS, PRED)" C 31 0.925 1
68 1 12 1 "RMS(OBS, PRED)" CA 32 1.329 1
69 1 12 1 "RMS(OBS, PRED)" CB 29 1.347 1
70 1 12 1 "RMS(OBS, PRED)" H 30 0.440 1
71 1 12 1 "RMS(OBS, PRED)" HA 34 0.278 1
72 1 12 1 "RMS(OBS, PRED)" N 30 2.512 1
73 1 13 1 "RMS(OBS, PRED)" C 31 0.950 1
74 1 13 1 "RMS(OBS, PRED)" CA 32 1.210 1
75 1 13 1 "RMS(OBS, PRED)" CB 29 1.253 1
76 1 13 1 "RMS(OBS, PRED)" H 30 0.507 1
77 1 13 1 "RMS(OBS, PRED)" HA 34 0.276 1
78 1 13 1 "RMS(OBS, PRED)" N 30 2.316 1
79 1 14 1 "RMS(OBS, PRED)" C 31 0.954 1
80 1 14 1 "RMS(OBS, PRED)" CA 32 1.442 1
81 1 14 1 "RMS(OBS, PRED)" CB 29 1.337 1
82 1 14 1 "RMS(OBS, PRED)" H 30 0.469 1
83 1 14 1 "RMS(OBS, PRED)" HA 34 0.274 1
84 1 14 1 "RMS(OBS, PRED)" N 30 2.384 1
85 1 15 1 "RMS(OBS, PRED)" C 31 0.945 1
86 1 15 1 "RMS(OBS, PRED)" CA 32 1.212 1
87 1 15 1 "RMS(OBS, PRED)" CB 29 1.438 1
88 1 15 1 "RMS(OBS, PRED)" H 30 0.424 1
89 1 15 1 "RMS(OBS, PRED)" HA 34 0.283 1
90 1 15 1 "RMS(OBS, PRED)" N 30 2.160 1
91 1 16 1 "RMS(OBS, PRED)" C 31 0.922 1
92 1 16 1 "RMS(OBS, PRED)" CA 32 1.215 1
93 1 16 1 "RMS(OBS, PRED)" CB 29 1.425 1
94 1 16 1 "RMS(OBS, PRED)" H 30 0.512 1
95 1 16 1 "RMS(OBS, PRED)" HA 34 0.278 1
96 1 16 1 "RMS(OBS, PRED)" N 30 2.829 1
97 1 17 1 "RMS(OBS, PRED)" C 31 0.880 1
98 1 17 1 "RMS(OBS, PRED)" CA 32 1.243 1
99 1 17 1 "RMS(OBS, PRED)" CB 29 1.207 1
100 1 17 1 "RMS(OBS, PRED)" H 30 0.435 1
101 1 17 1 "RMS(OBS, PRED)" HA 34 0.247 1
102 1 17 1 "RMS(OBS, PRED)" N 30 2.743 1
103 1 18 1 "RMS(OBS, PRED)" C 31 0.877 1
104 1 18 1 "RMS(OBS, PRED)" CA 32 1.137 1
105 1 18 1 "RMS(OBS, PRED)" CB 29 1.351 1
106 1 18 1 "RMS(OBS, PRED)" H 30 0.507 1
107 1 18 1 "RMS(OBS, PRED)" HA 34 0.242 1
108 1 18 1 "RMS(OBS, PRED)" N 30 2.202 1
109 1 19 1 "RMS(OBS, PRED)" C 31 0.915 1
110 1 19 1 "RMS(OBS, PRED)" CA 32 1.340 1
111 1 19 1 "RMS(OBS, PRED)" CB 29 1.339 1
112 1 19 1 "RMS(OBS, PRED)" H 30 0.494 1
113 1 19 1 "RMS(OBS, PRED)" HA 34 0.224 1
114 1 19 1 "RMS(OBS, PRED)" N 30 2.280 1
115 1 20 1 "RMS(OBS, PRED)" C 31 0.992 1
116 1 20 1 "RMS(OBS, PRED)" CA 32 1.306 1
117 1 20 1 "RMS(OBS, PRED)" CB 29 1.340 1
118 1 20 1 "RMS(OBS, PRED)" H 30 0.477 1
119 1 20 1 "RMS(OBS, PRED)" HA 34 0.248 1
120 1 20 1 "RMS(OBS, PRED)" N 30 2.329 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 9 9 GLY CA C 9 45.281 45.354 -0.073 2
1 2 . 1 1 A 9 9 GLY HA3 H 9 3.935 4.064 -0.129 2
1 3 . 1 1 A 9 9 GLY C C 9 174.135 173.114 1.021 2
1 4 . 1 1 A 9 9 GLY HA2 H 9 3.935 4.060 -0.125 2
1 5 . 1 1 A 10 10 GLU N N 10 120.713 121.534 -0.821 2
1 6 . 1 1 A 10 10 GLU H H 10 8.248 8.411 -0.163 2
1 7 . 1 1 A 10 10 GLU CA C 10 56.650 55.848 0.802 2
1 8 . 1 1 A 10 10 GLU HA H 10 4.221 4.608 -0.387 2
1 9 . 1 1 A 10 10 GLU CB C 10 30.255 31.772 -1.517 2
1 13 . 1 1 A 10 10 GLU C C 10 176.461 175.776 0.685 2
1 16 . 1 1 A 11 11 LYS N N 11 122.447 124.611 -2.164 2
1 17 . 1 1 A 11 11 LYS H H 11 8.369 8.390 -0.021 2
1 18 . 1 1 A 11 11 LYS CA C 11 55.860 56.412 -0.552 2
1 19 . 1 1 A 11 11 LYS HA H 11 4.251 4.353 -0.102 2
1 20 . 1 1 A 11 11 LYS CB C 11 32.853 32.615 0.238 2
1 28 . 1 1 A 11 11 LYS C C 11 175.765 175.426 0.339 2
1 33 . 1 1 A 12 12 SER N N 12 115.851 117.292 -1.441 2
1 34 . 1 1 A 12 12 SER H H 12 7.899 8.193 -0.294 2
1 35 . 1 1 A 12 12 SER CA C 12 58.089 57.366 0.723 2
1 36 . 1 1 A 12 12 SER HA H 12 4.334 4.865 -0.531 2
1 37 . 1 1 A 12 12 SER CB C 12 64.118 65.770 -1.652 2
1 39 . 1 1 A 12 12 SER C C 12 173.004 173.271 -0.267 2
1 41 . 1 1 A 13 13 HIS N N 13 122.321 123.294 -0.973 2
1 42 . 1 1 A 13 13 HIS H H 13 8.450 8.477 -0.027 2
1 43 . 1 1 A 13 13 HIS CA C 13 55.542 56.683 -1.141 2
1 44 . 1 1 A 13 13 HIS HA H 13 4.711 4.806 -0.095 2
1 45 . 1 1 A 13 13 HIS CB C 13 31.777 30.501 1.276 2
1 51 . 1 1 A 13 13 HIS C C 13 174.797 175.384 -0.587 2
1 53 . 1 1 A 14 14 THR N N 14 120.690 117.341 3.349 2
1 54 . 1 1 A 14 14 THR H H 14 8.703 8.919 -0.216 2
1 55 . 1 1 A 14 14 THR CA C 14 61.874 61.276 0.598 2
1 56 . 1 1 A 14 14 THR HA H 14 4.977 5.057 -0.080 2
1 57 . 1 1 A 14 14 THR CB C 14 71.173 71.376 -0.203 2
1 63 . 1 1 A 14 14 THR C C 14 173.574 173.608 -0.034 2
1 64 . 1 1 A 15 15 CYS N N 15 127.944 125.399 2.545 2
1 65 . 1 1 A 15 15 CYS H H 15 9.190 8.921 0.269 2
1 66 . 1 1 A 15 15 CYS CA C 15 59.578 59.520 0.059 2
1 67 . 1 1 A 15 15 CYS HA H 15 4.496 4.639 -0.143 2
1 68 . 1 1 A 15 15 CYS CB C 15 29.551 28.506 1.045 2
1 70 . 1 1 A 15 15 CYS C C 15 176.421 175.923 0.498 2
1 72 . 1 1 A 16 16 ASP N N 16 132.096 128.629 3.467 2
1 73 . 1 1 A 16 16 ASP H H 16 9.243 9.118 0.125 2
1 74 . 1 1 A 16 16 ASP CA C 16 56.482 56.077 0.405 2
1 75 . 1 1 A 16 16 ASP HA H 16 4.397 4.517 -0.120 2
1 76 . 1 1 A 16 16 ASP CB C 16 40.687 40.529 0.158 2
1 78 . 1 1 A 16 16 ASP C C 16 176.308 178.042 -1.734 2
1 80 . 1 1 A 17 17 GLU N N 17 120.252 118.881 1.371 2
1 81 . 1 1 A 17 17 GLU H H 17 8.524 7.912 0.612 2
1 82 . 1 1 A 17 17 GLU CA C 17 58.336 58.958 -0.622 2
1 83 . 1 1 A 17 17 GLU HA H 17 4.181 3.942 0.239 2
1 84 . 1 1 A 17 17 GLU CB C 17 29.651 29.175 0.476 2
1 88 . 1 1 A 17 17 GLU C C 17 177.189 178.078 -0.889 2
1 91 . 1 1 A 18 18 CYS N N 18 114.371 114.836 -0.465 2
1 92 . 1 1 A 18 18 CYS H H 18 7.834 7.885 -0.051 2
1 93 . 1 1 A 18 18 CYS CA C 18 58.344 59.484 -1.140 2
1 94 . 1 1 A 18 18 CYS HA H 18 5.146 4.784 0.362 2
1 95 . 1 1 A 18 18 CYS CB C 18 32.565 30.380 2.185 2
1 97 . 1 1 A 18 18 CYS C C 18 176.321 175.704 0.617 2
1 99 . 1 1 A 19 19 GLY N N 19 113.718 110.111 3.607 2
1 100 . 1 1 A 19 19 GLY H H 19 8.339 8.167 0.172 2
1 101 . 1 1 A 19 19 GLY CA C 19 46.154 45.113 1.041 2
1 102 . 1 1 A 19 19 GLY HA3 H 19 4.167 4.068 0.099 2
1 103 . 1 1 A 19 19 GLY C C 19 173.777 174.601 -0.824 2
1 104 . 1 1 A 19 19 GLY HA2 H 19 3.733 4.060 -0.327 2
1 105 . 1 1 A 20 20 LYS N N 20 122.244 120.193 2.051 2
1 106 . 1 1 A 20 20 LYS H H 20 7.876 7.432 0.444 2
1 107 . 1 1 A 20 20 LYS CA C 20 58.108 56.083 2.025 2
1 108 . 1 1 A 20 20 LYS HA H 20 3.952 4.243 -0.291 2
1 109 . 1 1 A 20 20 LYS CB C 20 33.739 33.927 -0.188 2
1 117 . 1 1 A 20 20 LYS C C 20 174.125 175.111 -0.986 2
1 122 . 1 1 A 21 21 ASN N N 21 118.989 118.132 0.856 2
1 123 . 1 1 A 21 21 ASN H H 21 7.986 8.001 -0.015 2
1 124 . 1 1 A 21 21 ASN CA C 21 52.255 51.521 0.734 2
1 125 . 1 1 A 21 21 ASN HA H 21 5.260 5.431 -0.171 2
1 126 . 1 1 A 21 21 ASN CB C 21 41.894 42.164 -0.270 2
1 131 . 1 1 A 21 21 ASN C C 21 173.974 173.130 0.844 2
1 133 . 1 1 A 22 22 PHE N N 22 118.357 121.047 -2.690 2
1 134 . 1 1 A 22 22 PHE H H 22 8.729 8.989 -0.260 2
1 135 . 1 1 A 22 22 PHE CA C 22 57.281 56.363 0.918 2
1 136 . 1 1 A 22 22 PHE HA H 22 4.599 4.775 -0.176 2
1 137 . 1 1 A 22 22 PHE CB C 22 43.439 41.104 2.335 2
1 149 . 1 1 A 22 22 PHE C C 22 175.459 175.672 -0.213 2
1 151 . 1 1 A 23 23 CYS CA C 23 60.735 63.035 -2.300 2
1 152 . 1 1 A 23 23 CYS HA H 23 4.382 4.319 0.063 2
1 153 . 1 1 A 23 23 CYS CB C 23 27.868 27.769 0.099 2
1 155 . 1 1 A 23 23 CYS C C 23 173.938 174.869 -0.931 2
1 157 . 1 1 A 24 24 TYR N N 24 114.062 116.949 -2.887 2
1 158 . 1 1 A 24 24 TYR H H 24 7.375 7.502 -0.127 2
1 159 . 1 1 A 24 24 TYR CA C 24 55.792 55.975 -0.183 2
1 160 . 1 1 A 24 24 TYR HA H 24 5.006 4.891 0.115 2
1 161 . 1 1 A 24 24 TYR CB C 24 41.225 40.366 0.859 2
1 171 . 1 1 A 24 24 TYR C C 24 176.484 175.575 0.909 2
1 173 . 1 1 A 25 25 ILE N N 25 125.892 123.683 2.209 2
1 174 . 1 1 A 25 25 ILE H H 25 8.886 8.501 0.385 2
1 175 . 1 1 A 25 25 ILE CA C 25 63.625 64.381 -0.756 2
1 176 . 1 1 A 25 25 ILE HA H 25 3.421 3.345 0.076 2
1 177 . 1 1 A 25 25 ILE CB C 25 37.584 37.245 0.339 2
1 189 . 1 1 A 25 25 ILE C C 25 177.052 177.335 -0.283 2
1 191 . 1 1 A 26 26 SER N N 26 116.283 117.917 -1.634 2
1 192 . 1 1 A 26 26 SER H H 26 8.370 8.098 0.272 2
1 193 . 1 1 A 26 26 SER CA C 26 60.986 61.910 -0.924 2
1 194 . 1 1 A 26 26 SER HA H 26 3.982 4.026 -0.044 2
1 195 . 1 1 A 26 26 SER CB C 26 61.572 62.843 -1.271 2
1 197 . 1 1 A 26 26 SER C C 26 176.298 176.876 -0.578 2
1 199 . 1 1 A 27 27 ALA N N 27 123.029 123.553 -0.524 2
1 200 . 1 1 A 27 27 ALA H H 27 6.647 8.008 -1.361 2
1 201 . 1 1 A 27 27 ALA CA C 27 54.300 55.013 -0.713 2
1 202 . 1 1 A 27 27 ALA HA H 27 4.099 4.163 -0.064 2
1 203 . 1 1 A 27 27 ALA CB C 27 19.034 18.099 0.936 2
1 207 . 1 1 A 27 27 ALA C C 27 179.963 179.090 0.873 2
1 208 . 1 1 A 28 28 LEU N N 28 121.207 119.245 1.962 2
1 209 . 1 1 A 28 28 LEU H H 28 7.084 7.296 -0.212 2
1 210 . 1 1 A 28 28 LEU CA C 28 57.723 57.191 0.532 2
1 211 . 1 1 A 28 28 LEU HA H 28 3.008 2.615 0.393 2
1 212 . 1 1 A 28 28 LEU CB C 28 40.253 41.201 -0.948 2
1 224 . 1 1 A 28 28 LEU C C 28 177.583 178.347 -0.764 2
1 226 . 1 1 A 29 29 ARG N N 29 117.731 118.170 -0.439 2
1 227 . 1 1 A 29 29 ARG H H 29 8.183 8.139 0.044 2
1 228 . 1 1 A 29 29 ARG CA C 29 58.953 59.617 -0.664 2
1 229 . 1 1 A 29 29 ARG HA H 29 4.100 3.923 0.177 2
1 230 . 1 1 A 29 29 ARG CB C 29 29.440 29.711 -0.271 2
1 236 . 1 1 A 29 29 ARG C C 29 179.718 178.670 1.048 2
1 240 . 1 1 A 30 30 ILE N N 30 119.059 120.057 -0.998 2
1 241 . 1 1 A 30 30 ILE H H 30 7.480 7.652 -0.172 2
1 242 . 1 1 A 30 30 ILE CA C 30 64.651 64.845 -0.194 2
1 243 . 1 1 A 30 30 ILE HA H 30 3.612 3.681 -0.069 2
1 244 . 1 1 A 30 30 ILE CB C 30 38.266 37.452 0.814 2
1 256 . 1 1 A 30 30 ILE C C 30 178.844 178.336 0.508 2
1 258 . 1 1 A 31 31 HIS N N 31 120.618 119.971 0.647 2
1 259 . 1 1 A 31 31 HIS H H 31 7.565 7.989 -0.424 2
1 260 . 1 1 A 31 31 HIS CA C 31 59.193 59.963 -0.770 2
1 261 . 1 1 A 31 31 HIS HA H 31 4.187 4.139 0.048 2
1 262 . 1 1 A 31 31 HIS CB C 31 28.263 29.775 -1.512 2
1 268 . 1 1 A 31 31 HIS C C 31 176.323 177.432 -1.109 2
1 270 . 1 1 A 32 32 GLN N N 32 115.336 117.802 -2.467 2
1 271 . 1 1 A 32 32 GLN H H 32 8.413 8.407 0.006 2
1 272 . 1 1 A 32 32 GLN CA C 32 59.459 59.045 0.414 2
1 273 . 1 1 A 32 32 GLN HA H 32 3.578 3.825 -0.247 2
1 274 . 1 1 A 32 32 GLN CB C 32 28.370 28.237 0.133 2
1 281 . 1 1 A 32 32 GLN C C 32 177.630 178.598 -0.968 2
1 284 . 1 1 A 33 33 ARG N N 33 118.205 120.078 -1.873 2
1 285 . 1 1 A 33 33 ARG H H 33 7.230 8.015 -0.785 2
1 286 . 1 1 A 33 33 ARG CA C 33 58.907 58.834 0.073 2
1 287 . 1 1 A 33 33 ARG HA H 33 4.017 4.002 0.015 2
1 288 . 1 1 A 33 33 ARG CB C 33 29.906 29.944 -0.038 2
1 294 . 1 1 A 33 33 ARG C C 33 178.998 178.709 0.289 2
1 298 . 1 1 A 34 34 VAL N N 34 116.652 116.825 -0.173 2
1 299 . 1 1 A 34 34 VAL H H 34 7.929 7.829 0.100 2
1 300 . 1 1 A 34 34 VAL CA C 34 64.172 65.365 -1.193 2
1 301 . 1 1 A 34 34 VAL HA H 34 3.849 3.731 0.118 2
1 302 . 1 1 A 34 34 VAL CB C 34 31.027 31.157 -0.130 2
1 312 . 1 1 A 34 34 VAL C C 34 177.609 177.507 0.102 2
1 313 . 1 1 A 35 35 HIS N N 35 116.579 119.808 -3.229 2
1 314 . 1 1 A 35 35 HIS H H 35 7.002 7.817 -0.816 2
1 315 . 1 1 A 35 35 HIS CA C 35 54.913 58.201 -3.288 2
1 316 . 1 1 A 35 35 HIS HA H 35 4.799 4.386 0.413 2
1 317 . 1 1 A 35 35 HIS CB C 35 28.576 29.979 -1.403 2
1 323 . 1 1 A 35 35 HIS C C 35 175.666 175.814 -0.148 2
1 325 . 1 1 A 36 36 MET N N 36 118.563 117.781 0.782 2
1 326 . 1 1 A 36 36 MET H H 36 7.508 7.578 -0.070 2
1 327 . 1 1 A 36 36 MET CA C 36 56.556 56.178 0.378 2
1 328 . 1 1 A 36 36 MET HA H 36 4.389 4.380 0.009 2
1 329 . 1 1 A 36 36 MET CB C 36 32.971 33.074 -0.103 2
1 337 . 1 1 A 36 36 MET C C 36 176.824 176.485 0.339 2
1 340 . 1 1 A 37 37 GLY N N 37 108.831 110.269 -1.437 2
1 341 . 1 1 A 37 37 GLY H H 37 8.190 8.423 -0.233 2
1 342 . 1 1 A 37 37 GLY CA C 37 45.478 45.678 -0.200 2
1 343 . 1 1 A 37 37 GLY HA3 H 37 3.944 4.066 -0.122 2
1 344 . 1 1 A 37 37 GLY C C 37 174.378 174.101 0.277 2
1 345 . 1 1 A 37 37 GLY HA2 H 37 3.944 4.060 -0.116 2
1 346 . 1 1 A 38 38 GLU N N 38 120.546 120.425 0.121 2
1 347 . 1 1 A 38 38 GLU H H 38 8.102 8.307 -0.205 2
1 348 . 1 1 A 38 38 GLU CA C 38 56.637 56.283 0.354 2
1 349 . 1 1 A 38 38 GLU HA H 38 4.234 4.433 -0.199 2
1 350 . 1 1 A 38 38 GLU CB C 38 30.266 30.697 -0.431 2
1 354 . 1 1 A 38 38 GLU C C 38 176.786 176.049 0.737 2
1 357 . 1 1 A 39 39 LYS N N 39 121.499 121.659 -0.160 2
1 358 . 1 1 A 39 39 LYS H H 39 8.275 8.379 -0.104 2
1 359 . 1 1 A 39 39 LYS CA C 39 56.239 56.526 -0.287 2
1 360 . 1 1 A 39 39 LYS HA H 39 4.318 4.481 -0.163 2
1 361 . 1 1 A 39 39 LYS CB C 39 32.798 33.663 -0.865 2
1 369 . 1 1 A 39 39 LYS C C 39 176.575 176.075 0.500 2
1 374 . 1 1 A 40 40 CYS N N 40 120.323 121.330 -1.007 2
1 375 . 1 1 A 40 40 CYS H H 40 8.318 8.424 -0.106 2
1 376 . 1 1 A 40 40 CYS CA C 40 58.407 59.116 -0.709 2
1 377 . 1 1 A 40 40 CYS CB C 40 28.054 28.322 -0.268 2
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