data_10171_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10171
_Entry.PDB_ID 2ENA
_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 7 7 GLY CA C 7 45.410 46.505 -1.095 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 4.029 3.895 0.134 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.333 173.782 0.551 1
1 4 . 1 1 1 A 7 7 GLY HA2 H 7 4.029 3.895 0.134 1
1 5 . 1 1 1 A 8 8 THR N N 8 113.596 112.620 0.976 1
1 6 . 1 1 1 A 8 8 THR H H 8 8.037 8.145 -0.108 1
1 7 . 1 1 1 A 8 8 THR CA C 8 61.631 59.566 2.065 1
1 8 . 1 1 1 A 8 8 THR HA H 8 4.339 5.274 -0.935 1
1 9 . 1 1 1 A 8 8 THR CB C 8 70.027 72.249 -2.222 1
1 15 . 1 1 1 A 8 8 THR C C 8 174.408 173.261 1.147 1
1 16 . 1 1 1 A 9 9 ALA N N 9 125.919 124.955 0.964 1
1 17 . 1 1 1 A 9 9 ALA H H 9 8.319 8.380 -0.061 1
1 18 . 1 1 1 A 9 9 ALA CA C 9 52.725 52.727 -0.002 1
1 19 . 1 1 1 A 9 9 ALA HA H 9 4.265 4.335 -0.070 1
1 20 . 1 1 1 A 9 9 ALA CB C 9 19.143 19.360 -0.217 1
1 24 . 1 1 1 A 9 9 ALA C C 9 177.703 178.738 -1.035 1
1 25 . 1 1 1 A 10 10 GLU N N 10 119.726 123.666 -3.940 1
1 26 . 1 1 1 A 10 10 GLU H H 10 8.258 8.693 -0.435 1
1 27 . 1 1 1 A 10 10 GLU CA C 10 57.161 58.995 -1.834 1
1 28 . 1 1 1 A 10 10 GLU HA H 10 4.130 4.083 0.047 1
1 29 . 1 1 1 A 10 10 GLU CB C 10 30.255 29.108 1.147 1
1 33 . 1 1 1 A 10 10 GLU C C 10 176.212 176.926 -0.714 1
1 36 . 1 1 1 A 11 11 LYS N N 11 120.765 121.848 -1.083 1
1 37 . 1 1 1 A 11 11 LYS H H 11 8.078 7.822 0.256 1
1 38 . 1 1 1 A 11 11 LYS CA C 11 53.786 53.843 -0.057 1
1 39 . 1 1 1 A 11 11 LYS HA H 11 4.509 4.524 -0.015 1
1 40 . 1 1 1 A 11 11 LYS CB C 11 32.725 32.325 0.400 1
1 48 . 1 1 1 A 11 11 LYS C C 11 174.027 176.246 -2.219 1
1 53 . 1 1 1 A 12 12 PRO CA C 12 63.494 64.663 -1.169 1
1 54 . 1 1 1 A 12 12 PRO HA H 12 4.266 4.258 0.008 1
1 55 . 1 1 1 A 12 12 PRO CB C 12 32.363 31.775 0.588 1
1 61 . 1 1 1 A 12 12 PRO C C 12 176.390 176.053 0.337 1
1 65 . 1 1 1 A 13 13 PHE N N 13 118.125 118.569 -0.444 1
1 66 . 1 1 1 A 13 13 PHE H H 13 7.951 7.688 0.263 1
1 67 . 1 1 1 A 13 13 PHE CA C 13 57.351 57.519 -0.168 1
1 68 . 1 1 1 A 13 13 PHE HA H 13 4.712 4.982 -0.270 1
1 69 . 1 1 1 A 13 13 PHE CB C 13 39.241 41.177 -1.936 1
1 81 . 1 1 1 A 13 13 PHE C C 13 174.556 174.985 -0.429 1
1 83 . 1 1 1 A 14 14 ARG N N 14 125.116 122.115 3.001 1
1 84 . 1 1 1 A 14 14 ARG H H 14 8.683 8.729 -0.046 1
1 85 . 1 1 1 A 14 14 ARG CA C 14 55.114 55.407 -0.293 1
1 86 . 1 1 1 A 14 14 ARG HA H 14 4.811 5.111 -0.300 1
1 87 . 1 1 1 A 14 14 ARG CB C 14 32.743 34.053 -1.310 1
1 93 . 1 1 1 A 14 14 ARG C C 14 175.152 174.225 0.927 1
1 97 . 1 1 1 A 15 15 CYS N N 15 126.627 124.476 2.151 1
1 98 . 1 1 1 A 15 15 CYS H H 15 8.950 9.349 -0.399 1
1 99 . 1 1 1 A 15 15 CYS CA C 15 60.705 58.067 2.638 1
1 100 . 1 1 1 A 15 15 CYS HA H 15 4.445 4.902 -0.457 1
1 101 . 1 1 1 A 15 15 CYS CB C 15 29.486 29.134 0.352 1
1 103 . 1 1 1 A 15 15 CYS C C 15 175.282 175.305 -0.023 1
1 105 . 1 1 1 A 16 16 ASP N N 16 127.711 128.576 -0.865 1
1 106 . 1 1 1 A 16 16 ASP H H 16 9.030 9.145 -0.115 1
1 107 . 1 1 1 A 16 16 ASP CA C 16 55.559 53.221 2.338 1
1 108 . 1 1 1 A 16 16 ASP HA H 16 4.588 4.804 -0.216 1
1 109 . 1 1 1 A 16 16 ASP CB C 16 40.455 39.479 0.976 1
1 111 . 1 1 1 A 16 16 ASP C C 16 176.634 177.053 -0.419 1
1 113 . 1 1 1 A 17 17 THR N N 17 119.919 114.585 5.334 1
1 114 . 1 1 1 A 17 17 THR H H 17 9.285 8.165 1.120 1
1 115 . 1 1 1 A 17 17 THR CA C 17 65.157 63.619 1.538 1
1 116 . 1 1 1 A 17 17 THR HA H 17 4.191 4.450 -0.259 1
1 117 . 1 1 1 A 17 17 THR CB C 17 69.826 70.575 -0.749 1
1 123 . 1 1 1 A 17 17 THR C C 17 174.022 175.768 -1.746 1
1 124 . 1 1 1 A 18 18 CYS N N 18 121.187 115.231 5.956 1
1 125 . 1 1 1 A 18 18 CYS H H 18 8.128 8.046 0.082 1
1 126 . 1 1 1 A 18 18 CYS CA C 18 58.215 58.086 0.129 1
1 127 . 1 1 1 A 18 18 CYS HA H 18 5.105 4.557 0.548 1
1 128 . 1 1 1 A 18 18 CYS CB C 18 31.519 27.909 3.610 1
1 130 . 1 1 1 A 18 18 CYS C C 18 174.129 174.631 -0.502 1
1 132 . 1 1 1 A 19 19 ASP N N 19 118.150 119.959 -1.809 1
1 133 . 1 1 1 A 19 19 ASP H H 19 8.128 7.811 0.317 1
1 134 . 1 1 1 A 19 19 ASP CA C 19 55.559 55.000 0.559 1
1 135 . 1 1 1 A 19 19 ASP HA H 19 4.588 4.251 0.337 1
1 136 . 1 1 1 A 19 19 ASP CB C 19 40.878 39.504 1.374 1
1 138 . 1 1 1 A 19 19 ASP C C 19 175.850 174.810 1.040 1
1 140 . 1 1 1 A 20 20 LYS N N 20 121.871 118.086 3.785 1
1 141 . 1 1 1 A 20 20 LYS H H 20 8.112 7.109 1.003 1
1 142 . 1 1 1 A 20 20 LYS CA C 20 57.660 54.420 3.240 1
1 143 . 1 1 1 A 20 20 LYS HA H 20 4.099 4.892 -0.793 1
1 144 . 1 1 1 A 20 20 LYS CB C 20 34.026 35.422 -1.396 1
1 152 . 1 1 1 A 20 20 LYS C C 20 174.727 175.267 -0.540 1
1 157 . 1 1 1 A 21 21 SER N N 21 114.588 112.910 1.678 1
1 158 . 1 1 1 A 21 21 SER H H 21 7.743 8.421 -0.678 1
1 159 . 1 1 1 A 21 21 SER CA C 21 56.845 57.170 -0.325 1
1 160 . 1 1 1 A 21 21 SER HA H 21 5.224 5.395 -0.171 1
1 161 . 1 1 1 A 21 21 SER CB C 21 66.180 66.181 -0.001 1
1 163 . 1 1 1 A 21 21 SER C C 21 172.795 172.596 0.199 1
1 165 . 1 1 1 A 22 22 PHE N N 22 117.192 118.684 -1.492 1
1 166 . 1 1 1 A 22 22 PHE H H 22 8.783 9.043 -0.260 1
1 167 . 1 1 1 A 22 22 PHE CA C 22 57.524 56.585 0.939 1
1 168 . 1 1 1 A 22 22 PHE HA H 22 4.727 4.886 -0.159 1
1 169 . 1 1 1 A 22 22 PHE CB C 22 44.051 43.914 0.137 1
1 181 . 1 1 1 A 22 22 PHE C C 22 175.101 175.990 -0.889 1
1 183 . 1 1 1 A 23 23 ARG N N 23 120.595 121.007 -0.412 1
1 184 . 1 1 1 A 23 23 ARG H H 23 9.190 9.065 0.125 1
1 185 . 1 1 1 A 23 23 ARG CA C 23 58.140 57.288 0.852 1
1 186 . 1 1 1 A 23 23 ARG HA H 23 4.541 4.587 -0.046 1
1 187 . 1 1 1 A 23 23 ARG CB C 23 31.352 31.474 -0.122 1
1 193 . 1 1 1 A 23 23 ARG C C 23 175.992 176.299 -0.307 1
1 197 . 1 1 1 A 24 24 GLN N N 24 113.055 118.584 -5.529 1
1 198 . 1 1 1 A 24 24 GLN H H 24 7.538 7.593 -0.055 1
1 199 . 1 1 1 A 24 24 GLN CA C 24 53.944 54.874 -0.930 1
1 200 . 1 1 1 A 24 24 GLN HA H 24 4.792 4.553 0.239 1
1 201 . 1 1 1 A 24 24 GLN CB C 24 31.991 30.485 1.506 1
1 208 . 1 1 1 A 24 24 GLN C C 24 175.828 175.252 0.576 1
1 211 . 1 1 1 A 25 25 ARG N N 25 126.893 125.332 1.561 1
1 212 . 1 1 1 A 25 25 ARG H H 25 8.562 8.663 -0.101 1
1 213 . 1 1 1 A 25 25 ARG CA C 25 59.274 58.486 0.788 1
1 214 . 1 1 1 A 25 25 ARG HA H 25 2.955 2.774 0.181 1
1 215 . 1 1 1 A 25 25 ARG CB C 25 29.418 29.551 -0.133 1
1 221 . 1 1 1 A 25 25 ARG C C 25 178.032 177.049 0.983 1
1 225 . 1 1 1 A 26 26 SER CA C 26 60.900 60.947 -0.047 1
1 226 . 1 1 1 A 26 26 SER HA H 26 3.990 4.114 -0.124 1
1 227 . 1 1 1 A 26 26 SER CB C 26 61.349 62.891 -1.542 1
1 229 . 1 1 1 A 26 26 SER C C 26 176.508 176.272 0.236 1
1 231 . 1 1 1 A 27 27 ALA N N 27 124.883 121.703 3.180 1
1 232 . 1 1 1 A 27 27 ALA H H 27 6.637 7.729 -1.092 1
1 233 . 1 1 1 A 27 27 ALA CA C 27 54.234 54.053 0.181 1
1 234 . 1 1 1 A 27 27 ALA HA H 27 4.143 4.172 -0.029 1
1 235 . 1 1 1 A 27 27 ALA CB C 27 19.102 18.854 0.248 1
1 239 . 1 1 1 A 27 27 ALA C C 27 179.857 179.013 0.844 1
1 240 . 1 1 1 A 28 28 LEU N N 28 120.865 119.771 1.094 1
1 241 . 1 1 1 A 28 28 LEU H H 28 6.980 7.255 -0.275 1
1 242 . 1 1 1 A 28 28 LEU CA C 28 57.651 56.276 1.375 1
1 243 . 1 1 1 A 28 28 LEU HA H 28 3.201 3.016 0.185 1
1 244 . 1 1 1 A 28 28 LEU CB C 28 40.193 42.093 -1.900 1
1 256 . 1 1 1 A 28 28 LEU C C 28 177.607 178.387 -0.780 1
1 258 . 1 1 1 A 29 29 ASN N N 29 117.824 116.829 0.995 1
1 259 . 1 1 1 A 29 29 ASN H H 29 8.364 8.465 -0.101 1
1 260 . 1 1 1 A 29 29 ASN CA C 29 56.041 56.060 -0.019 1
1 261 . 1 1 1 A 29 29 ASN HA H 29 4.291 4.369 -0.078 1
1 262 . 1 1 1 A 29 29 ASN CB C 29 37.208 38.338 -1.130 1
1 267 . 1 1 1 A 29 29 ASN C C 29 178.174 177.182 0.992 1
1 269 . 1 1 1 A 30 30 SER N N 30 114.405 116.455 -2.050 1
1 270 . 1 1 1 A 30 30 SER H H 30 7.817 7.680 0.137 1
1 271 . 1 1 1 A 30 30 SER CA C 30 61.429 61.858 -0.429 1
1 272 . 1 1 1 A 30 30 SER HA H 30 4.211 4.215 -0.004 1
1 273 . 1 1 1 A 30 30 SER CB C 30 62.626 63.367 -0.741 1
1 275 . 1 1 1 A 30 30 SER C C 30 176.722 176.164 0.558 1
1 277 . 1 1 1 A 31 31 HIS N N 31 121.832 121.953 -0.121 1
1 278 . 1 1 1 A 31 31 HIS H H 31 7.642 7.383 0.259 1
1 279 . 1 1 1 A 31 31 HIS CA C 31 59.238 59.646 -0.408 1
1 280 . 1 1 1 A 31 31 HIS HA H 31 4.197 4.093 0.104 1
1 281 . 1 1 1 A 31 31 HIS CB C 31 28.523 29.269 -0.746 1
1 287 . 1 1 1 A 31 31 HIS C C 31 176.289 177.322 -1.033 1
1 289 . 1 1 1 A 32 32 ARG N N 32 115.403 118.417 -3.014 1
1 290 . 1 1 1 A 32 32 ARG H H 32 8.369 8.267 0.102 1
1 291 . 1 1 1 A 32 32 ARG CA C 32 59.823 59.718 0.105 1
1 292 . 1 1 1 A 32 32 ARG HA H 32 3.681 3.971 -0.290 1
1 293 . 1 1 1 A 32 32 ARG CB C 32 30.134 29.738 0.396 1
1 299 . 1 1 1 A 32 32 ARG C C 32 177.770 178.789 -1.019 1
1 303 . 1 1 1 A 33 33 MET N N 33 116.194 119.112 -2.918 1
1 304 . 1 1 1 A 33 33 MET H H 33 7.101 7.917 -0.816 1
1 305 . 1 1 1 A 33 33 MET CA C 33 57.585 58.434 -0.849 1
1 306 . 1 1 1 A 33 33 MET HA H 33 4.275 4.199 0.076 1
1 307 . 1 1 1 A 33 33 MET CB C 33 32.092 32.980 -0.888 1
1 315 . 1 1 1 A 33 33 MET C C 33 178.400 178.103 0.297 1
1 318 . 1 1 1 A 34 34 ILE N N 34 116.686 117.217 -0.531 1
1 319 . 1 1 1 A 34 34 ILE H H 34 7.842 7.345 0.497 1
1 320 . 1 1 1 A 34 34 ILE CA C 34 63.035 63.907 -0.872 1
1 321 . 1 1 1 A 34 34 ILE HA H 34 4.015 3.733 0.282 1
1 322 . 1 1 1 A 34 34 ILE CB C 34 37.667 37.266 0.401 1
1 334 . 1 1 1 A 34 34 ILE C C 34 177.407 176.875 0.532 1
1 336 . 1 1 1 A 35 35 HIS N N 35 117.537 119.798 -2.261 1
1 337 . 1 1 1 A 35 35 HIS H H 35 7.269 6.980 0.289 1
1 338 . 1 1 1 A 35 35 HIS CA C 35 55.138 58.795 -3.657 1
1 339 . 1 1 1 A 35 35 HIS HA H 35 4.896 4.472 0.424 1
1 340 . 1 1 1 A 35 35 HIS CB C 35 28.592 30.672 -2.080 1
1 346 . 1 1 1 A 35 35 HIS C C 35 175.843 175.990 -0.147 1
1 348 . 1 1 1 A 36 36 THR N N 36 111.953 111.557 0.396 1
1 349 . 1 1 1 A 36 36 THR H H 36 7.782 8.197 -0.415 1
1 350 . 1 1 1 A 36 36 THR CA C 36 62.695 61.279 1.416 1
1 351 . 1 1 1 A 36 36 THR HA H 36 4.338 4.310 0.028 1
1 352 . 1 1 1 A 36 36 THR CB C 36 69.805 68.564 1.241 1
1 358 . 1 1 1 A 36 36 THR C C 36 175.459 174.393 1.066 1
1 359 . 1 1 1 A 37 37 GLY N N 37 110.774 110.667 0.107 1
1 360 . 1 1 1 A 37 37 GLY H H 37 8.280 7.597 0.683 1
1 361 . 1 1 1 A 37 37 GLY CA C 37 45.403 46.034 -0.631 1
1 362 . 1 1 1 A 37 37 GLY HA3 H 37 3.973 4.048 -0.075 1
1 363 . 1 1 1 A 37 37 GLY C C 37 174.049 174.581 -0.532 1
1 364 . 1 1 1 A 37 37 GLY HA2 H 37 4.038 4.043 -0.005 1
1 365 . 1 1 1 A 38 38 GLU N N 38 120.547 120.742 -0.195 1
1 366 . 1 1 1 A 38 38 GLU H H 38 8.047 8.091 -0.044 1
1 367 . 1 1 1 A 38 38 GLU CA C 38 56.525 56.801 -0.276 1
1 368 . 1 1 1 A 38 38 GLU HA H 38 4.258 4.330 -0.072 1
1 369 . 1 1 1 A 38 38 GLU CB C 38 30.671 30.961 -0.290 1
1 373 . 1 1 1 A 38 38 GLU C C 38 176.086 176.422 -0.336 1
1 376 . 1 1 1 A 39 39 LYS N N 39 123.461 119.067 4.394 1
1 377 . 1 1 1 A 39 39 LYS H H 39 8.380 8.736 -0.356 1
1 378 . 1 1 1 A 39 39 LYS CA C 39 54.014 53.891 0.123 1
1 379 . 1 1 1 A 39 39 LYS HA H 39 4.634 4.700 -0.066 1
1 380 . 1 1 1 A 39 39 LYS CB C 39 32.650 32.386 0.264 1
1 388 . 1 1 1 A 39 39 LYS C C 39 174.430 175.784 -1.354 1
1 393 . 1 1 1 A 40 40 PRO CA C 40 63.204 62.523 0.681 1
1 394 . 1 1 1 A 40 40 PRO HA H 40 4.473 4.608 -0.135 1
1 395 . 1 1 1 A 40 40 PRO CB C 40 32.203 33.063 -0.860 1
1 401 . 1 1 1 A 40 40 PRO C C 40 176.955 175.957 0.998 1
1 405 . 1 1 1 A 41 41 SER N N 41 116.471 117.619 -1.148 1
1 406 . 1 1 1 A 41 41 SER H H 41 8.474 8.433 0.041 1
1 407 . 1 1 1 A 41 41 SER CA C 41 58.351 57.877 0.474 1
1 408 . 1 1 1 A 41 41 SER HA H 41 4.449 4.642 -0.193 1
1 409 . 1 1 1 A 41 41 SER CB C 41 64.036 61.922 2.114 1
1 411 . 1 1 1 A 41 41 SER C C 41 174.649 174.051 0.598 1
1 413 . 1 1 1 A 42 42 GLY N N 42 110.620 112.917 -2.297 1
1 414 . 1 1 1 A 42 42 GLY H H 42 8.230 8.077 0.153 1
1 415 . 1 1 1 A 42 42 GLY CA C 42 44.661 45.496 -0.835 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.410 46.525 -1.115 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 4.029 3.964 0.065 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.333 174.526 -0.193 1
1 4 . 2 1 1 A 7 7 GLY HA2 H 7 4.029 3.963 0.066 1
1 5 . 2 1 1 A 8 8 THR N N 8 113.596 110.201 3.395 1
1 6 . 2 1 1 A 8 8 THR H H 8 8.037 7.738 0.299 1
1 7 . 2 1 1 A 8 8 THR CA C 8 61.631 61.039 0.592 1
1 8 . 2 1 1 A 8 8 THR HA H 8 4.339 4.457 -0.118 1
1 9 . 2 1 1 A 8 8 THR CB C 8 70.027 68.582 1.445 1
1 15 . 2 1 1 A 8 8 THR C C 8 174.408 174.217 0.191 1
1 16 . 2 1 1 A 9 9 ALA N N 9 125.919 125.265 0.654 1
1 17 . 2 1 1 A 9 9 ALA H H 9 8.319 7.653 0.666 1
1 18 . 2 1 1 A 9 9 ALA CA C 9 52.725 52.437 0.288 1
1 19 . 2 1 1 A 9 9 ALA HA H 9 4.265 4.310 -0.045 1
1 20 . 2 1 1 A 9 9 ALA CB C 9 19.143 19.283 -0.140 1
1 24 . 2 1 1 A 9 9 ALA C C 9 177.703 178.209 -0.506 1
1 25 . 2 1 1 A 10 10 GLU N N 10 119.726 123.279 -3.553 1
1 26 . 2 1 1 A 10 10 GLU H H 10 8.258 8.670 -0.412 1
1 27 . 2 1 1 A 10 10 GLU CA C 10 57.161 59.033 -1.872 1
1 28 . 2 1 1 A 10 10 GLU HA H 10 4.130 4.105 0.025 1
1 29 . 2 1 1 A 10 10 GLU CB C 10 30.255 29.204 1.051 1
1 33 . 2 1 1 A 10 10 GLU C C 10 176.212 176.861 -0.649 1
1 36 . 2 1 1 A 11 11 LYS N N 11 120.765 120.426 0.339 1
1 37 . 2 1 1 A 11 11 LYS H H 11 8.078 7.969 0.109 1
1 38 . 2 1 1 A 11 11 LYS CA C 11 53.786 53.191 0.595 1
1 39 . 2 1 1 A 11 11 LYS HA H 11 4.509 4.792 -0.283 1
1 40 . 2 1 1 A 11 11 LYS CB C 11 32.725 34.089 -1.364 1
1 48 . 2 1 1 A 11 11 LYS C C 11 174.027 176.314 -2.287 1
1 53 . 2 1 1 A 12 12 PRO CA C 12 63.494 64.316 -0.822 1
1 54 . 2 1 1 A 12 12 PRO HA H 12 4.266 4.293 -0.027 1
1 55 . 2 1 1 A 12 12 PRO CB C 12 32.363 31.613 0.750 1
1 61 . 2 1 1 A 12 12 PRO C C 12 176.390 175.989 0.401 1
1 65 . 2 1 1 A 13 13 PHE N N 13 118.125 118.384 -0.259 1
1 66 . 2 1 1 A 13 13 PHE H H 13 7.951 7.626 0.325 1
1 67 . 2 1 1 A 13 13 PHE CA C 13 57.351 57.356 -0.005 1
1 68 . 2 1 1 A 13 13 PHE HA H 13 4.712 5.092 -0.380 1
1 69 . 2 1 1 A 13 13 PHE CB C 13 39.241 41.805 -2.564 1
1 81 . 2 1 1 A 13 13 PHE C C 13 174.556 174.778 -0.222 1
1 83 . 2 1 1 A 14 14 ARG N N 14 125.116 122.126 2.990 1
1 84 . 2 1 1 A 14 14 ARG H H 14 8.683 8.737 -0.054 1
1 85 . 2 1 1 A 14 14 ARG CA C 14 55.114 55.337 -0.223 1
1 86 . 2 1 1 A 14 14 ARG HA H 14 4.811 5.110 -0.299 1
1 87 . 2 1 1 A 14 14 ARG CB C 14 32.743 34.163 -1.420 1
1 93 . 2 1 1 A 14 14 ARG C C 14 175.152 174.112 1.040 1
1 97 . 2 1 1 A 15 15 CYS N N 15 126.627 124.404 2.223 1
1 98 . 2 1 1 A 15 15 CYS H H 15 8.950 9.355 -0.405 1
1 99 . 2 1 1 A 15 15 CYS CA C 15 60.705 57.896 2.809 1
1 100 . 2 1 1 A 15 15 CYS HA H 15 4.445 4.949 -0.504 1
1 101 . 2 1 1 A 15 15 CYS CB C 15 29.486 28.915 0.571 1
1 103 . 2 1 1 A 15 15 CYS C C 15 175.282 175.602 -0.320 1
1 105 . 2 1 1 A 16 16 ASP N N 16 127.711 128.274 -0.563 1
1 106 . 2 1 1 A 16 16 ASP H H 16 9.030 9.076 -0.046 1
1 107 . 2 1 1 A 16 16 ASP CA C 16 55.559 54.030 1.529 1
1 108 . 2 1 1 A 16 16 ASP HA H 16 4.588 4.815 -0.227 1
1 109 . 2 1 1 A 16 16 ASP CB C 16 40.455 39.600 0.855 1
1 111 . 2 1 1 A 16 16 ASP C C 16 176.634 176.541 0.093 1
1 113 . 2 1 1 A 17 17 THR N N 17 119.919 113.042 6.877 1
1 114 . 2 1 1 A 17 17 THR H H 17 9.285 8.219 1.066 1
1 115 . 2 1 1 A 17 17 THR CA C 17 65.157 63.471 1.686 1
1 116 . 2 1 1 A 17 17 THR HA H 17 4.191 4.453 -0.262 1
1 117 . 2 1 1 A 17 17 THR CB C 17 69.826 70.715 -0.889 1
1 123 . 2 1 1 A 17 17 THR C C 17 174.022 175.732 -1.710 1
1 124 . 2 1 1 A 18 18 CYS N N 18 121.187 115.312 5.875 1
1 125 . 2 1 1 A 18 18 CYS H H 18 8.128 8.026 0.102 1
1 126 . 2 1 1 A 18 18 CYS CA C 18 58.215 58.023 0.192 1
1 127 . 2 1 1 A 18 18 CYS HA H 18 5.105 4.581 0.524 1
1 128 . 2 1 1 A 18 18 CYS CB C 18 31.519 28.057 3.462 1
1 130 . 2 1 1 A 18 18 CYS C C 18 174.129 173.972 0.157 1
1 132 . 2 1 1 A 19 19 ASP N N 19 118.150 117.369 0.781 1
1 133 . 2 1 1 A 19 19 ASP H H 19 8.128 7.729 0.399 1
1 134 . 2 1 1 A 19 19 ASP CA C 19 55.559 55.484 0.075 1
1 135 . 2 1 1 A 19 19 ASP HA H 19 4.588 4.200 0.388 1
1 136 . 2 1 1 A 19 19 ASP CB C 19 40.878 39.077 1.801 1
1 138 . 2 1 1 A 19 19 ASP C C 19 175.850 174.759 1.091 1
1 140 . 2 1 1 A 20 20 LYS N N 20 121.871 117.359 4.512 1
1 141 . 2 1 1 A 20 20 LYS H H 20 8.112 7.131 0.981 1
1 142 . 2 1 1 A 20 20 LYS CA C 20 57.660 54.406 3.254 1
1 143 . 2 1 1 A 20 20 LYS HA H 20 4.099 4.930 -0.831 1
1 144 . 2 1 1 A 20 20 LYS CB C 20 34.026 35.798 -1.772 1
1 152 . 2 1 1 A 20 20 LYS C C 20 174.727 175.142 -0.415 1
1 157 . 2 1 1 A 21 21 SER N N 21 114.588 112.962 1.626 1
1 158 . 2 1 1 A 21 21 SER H H 21 7.743 8.360 -0.617 1
1 159 . 2 1 1 A 21 21 SER CA C 21 56.845 57.141 -0.296 1
1 160 . 2 1 1 A 21 21 SER HA H 21 5.224 5.417 -0.193 1
1 161 . 2 1 1 A 21 21 SER CB C 21 66.180 66.168 0.012 1
1 163 . 2 1 1 A 21 21 SER C C 21 172.795 172.448 0.347 1
1 165 . 2 1 1 A 22 22 PHE N N 22 117.192 118.693 -1.501 1
1 166 . 2 1 1 A 22 22 PHE H H 22 8.783 8.661 0.122 1
1 167 . 2 1 1 A 22 22 PHE CA C 22 57.524 56.840 0.684 1
1 168 . 2 1 1 A 22 22 PHE HA H 22 4.727 4.901 -0.174 1
1 169 . 2 1 1 A 22 22 PHE CB C 22 44.051 43.671 0.380 1
1 181 . 2 1 1 A 22 22 PHE C C 22 175.101 175.749 -0.648 1
1 183 . 2 1 1 A 23 23 ARG N N 23 120.595 120.273 0.322 1
1 184 . 2 1 1 A 23 23 ARG H H 23 9.190 8.957 0.233 1
1 185 . 2 1 1 A 23 23 ARG CA C 23 58.140 57.044 1.096 1
1 186 . 2 1 1 A 23 23 ARG HA H 23 4.541 4.751 -0.210 1
1 187 . 2 1 1 A 23 23 ARG CB C 23 31.352 32.064 -0.712 1
1 193 . 2 1 1 A 23 23 ARG C C 23 175.992 176.093 -0.101 1
1 197 . 2 1 1 A 24 24 GLN N N 24 113.055 118.670 -5.615 1
1 198 . 2 1 1 A 24 24 GLN H H 24 7.538 7.494 0.044 1
1 199 . 2 1 1 A 24 24 GLN CA C 24 53.944 54.932 -0.988 1
1 200 . 2 1 1 A 24 24 GLN HA H 24 4.792 4.444 0.348 1
1 201 . 2 1 1 A 24 24 GLN CB C 24 31.991 29.933 2.058 1
1 208 . 2 1 1 A 24 24 GLN C C 24 175.828 175.483 0.345 1
1 211 . 2 1 1 A 25 25 ARG N N 25 126.893 125.665 1.228 1
1 212 . 2 1 1 A 25 25 ARG H H 25 8.562 8.695 -0.133 1
1 213 . 2 1 1 A 25 25 ARG CA C 25 59.274 58.596 0.678 1
1 214 . 2 1 1 A 25 25 ARG HA H 25 2.955 2.944 0.011 1
1 215 . 2 1 1 A 25 25 ARG CB C 25 29.418 29.735 -0.317 1
1 221 . 2 1 1 A 25 25 ARG C C 25 178.032 177.515 0.517 1
1 225 . 2 1 1 A 26 26 SER CA C 26 60.900 60.794 0.106 1
1 226 . 2 1 1 A 26 26 SER HA H 26 3.990 4.182 -0.192 1
1 227 . 2 1 1 A 26 26 SER CB C 26 61.349 63.246 -1.897 1
1 229 . 2 1 1 A 26 26 SER C C 26 176.508 175.282 1.226 1
1 231 . 2 1 1 A 27 27 ALA N N 27 124.883 122.922 1.961 1
1 232 . 2 1 1 A 27 27 ALA H H 27 6.637 7.915 -1.278 1
1 233 . 2 1 1 A 27 27 ALA CA C 27 54.234 53.955 0.279 1
1 234 . 2 1 1 A 27 27 ALA HA H 27 4.143 4.174 -0.031 1
1 235 . 2 1 1 A 27 27 ALA CB C 27 19.102 18.850 0.252 1
1 239 . 2 1 1 A 27 27 ALA C C 27 179.857 179.039 0.818 1
1 240 . 2 1 1 A 28 28 LEU N N 28 120.865 119.715 1.150 1
1 241 . 2 1 1 A 28 28 LEU H H 28 6.980 7.274 -0.294 1
1 242 . 2 1 1 A 28 28 LEU CA C 28 57.651 56.355 1.296 1
1 243 . 2 1 1 A 28 28 LEU HA H 28 3.201 3.051 0.150 1
1 244 . 2 1 1 A 28 28 LEU CB C 28 40.193 42.086 -1.893 1
1 256 . 2 1 1 A 28 28 LEU C C 28 177.607 178.403 -0.796 1
1 258 . 2 1 1 A 29 29 ASN N N 29 117.824 116.800 1.024 1
1 259 . 2 1 1 A 29 29 ASN H H 29 8.364 8.322 0.042 1
1 260 . 2 1 1 A 29 29 ASN CA C 29 56.041 56.137 -0.096 1
1 261 . 2 1 1 A 29 29 ASN HA H 29 4.291 4.352 -0.061 1
1 262 . 2 1 1 A 29 29 ASN CB C 29 37.208 38.207 -0.999 1
1 267 . 2 1 1 A 29 29 ASN C C 29 178.174 177.384 0.790 1
1 269 . 2 1 1 A 30 30 SER N N 30 114.405 115.451 -1.046 1
1 270 . 2 1 1 A 30 30 SER H H 30 7.817 7.737 0.080 1
1 271 . 2 1 1 A 30 30 SER CA C 30 61.429 61.057 0.372 1
1 272 . 2 1 1 A 30 30 SER HA H 30 4.211 4.319 -0.108 1
1 273 . 2 1 1 A 30 30 SER CB C 30 62.626 62.957 -0.331 1
1 275 . 2 1 1 A 30 30 SER C C 30 176.722 176.819 -0.097 1
1 277 . 2 1 1 A 31 31 HIS N N 31 121.832 120.892 0.940 1
1 278 . 2 1 1 A 31 31 HIS H H 31 7.642 7.383 0.259 1
1 279 . 2 1 1 A 31 31 HIS CA C 31 59.238 59.633 -0.395 1
1 280 . 2 1 1 A 31 31 HIS HA H 31 4.197 4.109 0.088 1
1 281 . 2 1 1 A 31 31 HIS CB C 31 28.523 29.250 -0.727 1
1 287 . 2 1 1 A 31 31 HIS C C 31 176.289 177.195 -0.906 1
1 289 . 2 1 1 A 32 32 ARG N N 32 115.403 118.432 -3.029 1
1 290 . 2 1 1 A 32 32 ARG H H 32 8.369 8.298 0.071 1
1 291 . 2 1 1 A 32 32 ARG CA C 32 59.823 59.317 0.506 1
1 292 . 2 1 1 A 32 32 ARG HA H 32 3.681 4.001 -0.320 1
1 293 . 2 1 1 A 32 32 ARG CB C 32 30.134 29.865 0.269 1
1 299 . 2 1 1 A 32 32 ARG C C 32 177.770 178.894 -1.124 1
1 303 . 2 1 1 A 33 33 MET N N 33 116.194 118.921 -2.727 1
1 304 . 2 1 1 A 33 33 MET H H 33 7.101 8.002 -0.901 1
1 305 . 2 1 1 A 33 33 MET CA C 33 57.585 58.205 -0.620 1
1 306 . 2 1 1 A 33 33 MET HA H 33 4.275 4.154 0.121 1
1 307 . 2 1 1 A 33 33 MET CB C 33 32.092 33.060 -0.968 1
1 315 . 2 1 1 A 33 33 MET C C 33 178.400 178.074 0.326 1
1 318 . 2 1 1 A 34 34 ILE N N 34 116.686 117.084 -0.398 1
1 319 . 2 1 1 A 34 34 ILE H H 34 7.842 7.431 0.411 1
1 320 . 2 1 1 A 34 34 ILE CA C 34 63.035 64.078 -1.043 1
1 321 . 2 1 1 A 34 34 ILE HA H 34 4.015 3.720 0.295 1
1 322 . 2 1 1 A 34 34 ILE CB C 34 37.667 37.200 0.467 1
1 334 . 2 1 1 A 34 34 ILE C C 34 177.407 177.626 -0.219 1
1 336 . 2 1 1 A 35 35 HIS N N 35 117.537 120.993 -3.456 1
1 337 . 2 1 1 A 35 35 HIS H H 35 7.269 7.373 -0.104 1
1 338 . 2 1 1 A 35 35 HIS CA C 35 55.138 59.394 -4.256 1
1 339 . 2 1 1 A 35 35 HIS HA H 35 4.896 4.405 0.491 1
1 340 . 2 1 1 A 35 35 HIS CB C 35 28.592 30.471 -1.879 1
1 346 . 2 1 1 A 35 35 HIS C C 35 175.843 177.944 -2.101 1
1 348 . 2 1 1 A 36 36 THR N N 36 111.953 113.250 -1.297 1
1 349 . 2 1 1 A 36 36 THR H H 36 7.782 7.699 0.083 1
1 350 . 2 1 1 A 36 36 THR CA C 36 62.695 64.141 -1.446 1
1 351 . 2 1 1 A 36 36 THR HA H 36 4.338 4.129 0.209 1
1 352 . 2 1 1 A 36 36 THR CB C 36 69.805 68.825 0.980 1
1 358 . 2 1 1 A 36 36 THR C C 36 175.459 174.346 1.113 1
1 359 . 2 1 1 A 37 37 GLY N N 37 110.774 108.470 2.304 1
1 360 . 2 1 1 A 37 37 GLY H H 37 8.280 7.131 1.149 1
1 361 . 2 1 1 A 37 37 GLY CA C 37 45.403 44.853 0.550 1
1 362 . 2 1 1 A 37 37 GLY HA3 H 37 3.973 4.137 -0.164 1
1 363 . 2 1 1 A 37 37 GLY C C 37 174.049 173.031 1.018 1
1 364 . 2 1 1 A 37 37 GLY HA2 H 37 4.038 4.136 -0.098 1
1 365 . 2 1 1 A 38 38 GLU N N 38 120.547 123.837 -3.290 1
1 366 . 2 1 1 A 38 38 GLU H H 38 8.047 8.513 -0.466 1
1 367 . 2 1 1 A 38 38 GLU CA C 38 56.525 55.967 0.558 1
1 368 . 2 1 1 A 38 38 GLU HA H 38 4.258 4.583 -0.325 1
1 369 . 2 1 1 A 38 38 GLU CB C 38 30.671 29.940 0.731 1
1 373 . 2 1 1 A 38 38 GLU C C 38 176.086 175.339 0.747 1
1 376 . 2 1 1 A 39 39 LYS N N 39 123.461 120.038 3.423 1
1 377 . 2 1 1 A 39 39 LYS H H 39 8.380 7.575 0.805 1
1 378 . 2 1 1 A 39 39 LYS CA C 39 54.014 53.720 0.294 1
1 379 . 2 1 1 A 39 39 LYS HA H 39 4.634 4.772 -0.138 1
1 380 . 2 1 1 A 39 39 LYS CB C 39 32.650 33.209 -0.559 1
1 388 . 2 1 1 A 39 39 LYS C C 39 174.430 173.690 0.740 1
1 393 . 2 1 1 A 40 40 PRO CA C 40 63.204 62.767 0.437 1
1 394 . 2 1 1 A 40 40 PRO HA H 40 4.473 4.611 -0.138 1
1 395 . 2 1 1 A 40 40 PRO CB C 40 32.203 31.768 0.435 1
1 401 . 2 1 1 A 40 40 PRO C C 40 176.955 175.298 1.657 1
1 405 . 2 1 1 A 41 41 SER N N 41 116.471 119.532 -3.061 1
1 406 . 2 1 1 A 41 41 SER H H 41 8.474 8.674 -0.200 1
1 407 . 2 1 1 A 41 41 SER CA C 41 58.351 57.132 1.219 1
1 408 . 2 1 1 A 41 41 SER HA H 41 4.449 4.749 -0.300 1
1 409 . 2 1 1 A 41 41 SER CB C 41 64.036 63.749 0.287 1
1 411 . 2 1 1 A 41 41 SER C C 41 174.649 173.176 1.473 1
1 413 . 2 1 1 A 42 42 GLY N N 42 110.620 113.905 -3.285 1
1 414 . 2 1 1 A 42 42 GLY H H 42 8.230 8.347 -0.117 1
1 415 . 2 1 1 A 42 42 GLY CA C 42 44.661 45.349 -0.688 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.410 44.904 0.506 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 4.029 4.145 -0.116 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.333 172.427 1.906 1
1 4 . 3 1 1 A 7 7 GLY HA2 H 7 4.029 4.145 -0.116 1
1 5 . 3 1 1 A 8 8 THR N N 8 113.596 115.037 -1.441 1
1 6 . 3 1 1 A 8 8 THR H H 8 8.037 8.421 -0.384 1
1 7 . 3 1 1 A 8 8 THR CA C 8 61.631 59.825 1.806 1
1 8 . 3 1 1 A 8 8 THR HA H 8 4.339 5.222 -0.883 1
1 9 . 3 1 1 A 8 8 THR CB C 8 70.027 72.286 -2.259 1
1 15 . 3 1 1 A 8 8 THR C C 8 174.408 173.486 0.922 1
1 16 . 3 1 1 A 9 9 ALA N N 9 125.919 124.865 1.054 1
1 17 . 3 1 1 A 9 9 ALA H H 9 8.319 8.494 -0.175 1
1 18 . 3 1 1 A 9 9 ALA CA C 9 52.725 52.150 0.575 1
1 19 . 3 1 1 A 9 9 ALA HA H 9 4.265 4.454 -0.189 1
1 20 . 3 1 1 A 9 9 ALA CB C 9 19.143 19.265 -0.122 1
1 24 . 3 1 1 A 9 9 ALA C C 9 177.703 178.393 -0.690 1
1 25 . 3 1 1 A 10 10 GLU N N 10 119.726 121.729 -2.003 1
1 26 . 3 1 1 A 10 10 GLU H H 10 8.258 8.741 -0.483 1
1 27 . 3 1 1 A 10 10 GLU CA C 10 57.161 59.176 -2.015 1
1 28 . 3 1 1 A 10 10 GLU HA H 10 4.130 4.043 0.087 1
1 29 . 3 1 1 A 10 10 GLU CB C 10 30.255 29.794 0.461 1
1 33 . 3 1 1 A 10 10 GLU C C 10 176.212 176.252 -0.040 1
1 36 . 3 1 1 A 11 11 LYS N N 11 120.765 118.251 2.514 1
1 37 . 3 1 1 A 11 11 LYS H H 11 8.078 7.830 0.248 1
1 38 . 3 1 1 A 11 11 LYS CA C 11 53.786 53.121 0.665 1
1 39 . 3 1 1 A 11 11 LYS HA H 11 4.509 4.707 -0.198 1
1 40 . 3 1 1 A 11 11 LYS CB C 11 32.725 33.401 -0.676 1
1 48 . 3 1 1 A 11 11 LYS C C 11 174.027 176.305 -2.278 1
1 53 . 3 1 1 A 12 12 PRO CA C 12 63.494 64.666 -1.172 1
1 54 . 3 1 1 A 12 12 PRO HA H 12 4.266 4.291 -0.025 1
1 55 . 3 1 1 A 12 12 PRO CB C 12 32.363 31.768 0.595 1
1 61 . 3 1 1 A 12 12 PRO C C 12 176.390 176.079 0.311 1
1 65 . 3 1 1 A 13 13 PHE N N 13 118.125 118.571 -0.446 1
1 66 . 3 1 1 A 13 13 PHE H H 13 7.951 7.698 0.253 1
1 67 . 3 1 1 A 13 13 PHE CA C 13 57.351 57.541 -0.190 1
1 68 . 3 1 1 A 13 13 PHE HA H 13 4.712 5.003 -0.291 1
1 69 . 3 1 1 A 13 13 PHE CB C 13 39.241 41.030 -1.789 1
1 81 . 3 1 1 A 13 13 PHE C C 13 174.556 175.034 -0.478 1
1 83 . 3 1 1 A 14 14 ARG N N 14 125.116 122.524 2.592 1
1 84 . 3 1 1 A 14 14 ARG H H 14 8.683 8.835 -0.152 1
1 85 . 3 1 1 A 14 14 ARG CA C 14 55.114 55.398 -0.284 1
1 86 . 3 1 1 A 14 14 ARG HA H 14 4.811 5.207 -0.396 1
1 87 . 3 1 1 A 14 14 ARG CB C 14 32.743 33.924 -1.181 1
1 93 . 3 1 1 A 14 14 ARG C C 14 175.152 174.162 0.990 1
1 97 . 3 1 1 A 15 15 CYS N N 15 126.627 124.450 2.177 1
1 98 . 3 1 1 A 15 15 CYS H H 15 8.950 9.424 -0.474 1
1 99 . 3 1 1 A 15 15 CYS CA C 15 60.705 58.362 2.343 1
1 100 . 3 1 1 A 15 15 CYS HA H 15 4.445 4.871 -0.426 1
1 101 . 3 1 1 A 15 15 CYS CB C 15 29.486 29.003 0.483 1
1 103 . 3 1 1 A 15 15 CYS C C 15 175.282 175.407 -0.125 1
1 105 . 3 1 1 A 16 16 ASP N N 16 127.711 128.371 -0.660 1
1 106 . 3 1 1 A 16 16 ASP H H 16 9.030 9.109 -0.079 1
1 107 . 3 1 1 A 16 16 ASP CA C 16 55.559 53.108 2.451 1
1 108 . 3 1 1 A 16 16 ASP HA H 16 4.588 4.813 -0.225 1
1 109 . 3 1 1 A 16 16 ASP CB C 16 40.455 40.003 0.452 1
1 111 . 3 1 1 A 16 16 ASP C C 16 176.634 177.024 -0.390 1
1 113 . 3 1 1 A 17 17 THR N N 17 119.919 114.003 5.916 1
1 114 . 3 1 1 A 17 17 THR H H 17 9.285 8.221 1.064 1
1 115 . 3 1 1 A 17 17 THR CA C 17 65.157 63.705 1.452 1
1 116 . 3 1 1 A 17 17 THR HA H 17 4.191 4.433 -0.242 1
1 117 . 3 1 1 A 17 17 THR CB C 17 69.826 70.400 -0.574 1
1 123 . 3 1 1 A 17 17 THR C C 17 174.022 175.796 -1.774 1
1 124 . 3 1 1 A 18 18 CYS N N 18 121.187 115.223 5.964 1
1 125 . 3 1 1 A 18 18 CYS H H 18 8.128 8.035 0.093 1
1 126 . 3 1 1 A 18 18 CYS CA C 18 58.215 58.037 0.178 1
1 127 . 3 1 1 A 18 18 CYS HA H 18 5.105 4.561 0.544 1
1 128 . 3 1 1 A 18 18 CYS CB C 18 31.519 27.755 3.764 1
1 130 . 3 1 1 A 18 18 CYS C C 18 174.129 174.622 -0.493 1
1 132 . 3 1 1 A 19 19 ASP N N 19 118.150 119.756 -1.606 1
1 133 . 3 1 1 A 19 19 ASP H H 19 8.128 7.826 0.302 1
1 134 . 3 1 1 A 19 19 ASP CA C 19 55.559 54.986 0.573 1
1 135 . 3 1 1 A 19 19 ASP HA H 19 4.588 4.254 0.334 1
1 136 . 3 1 1 A 19 19 ASP CB C 19 40.878 39.551 1.327 1
1 138 . 3 1 1 A 19 19 ASP C C 19 175.850 174.853 0.997 1
1 140 . 3 1 1 A 20 20 LYS N N 20 121.871 118.403 3.468 1
1 141 . 3 1 1 A 20 20 LYS H H 20 8.112 7.401 0.711 1
1 142 . 3 1 1 A 20 20 LYS CA C 20 57.660 54.680 2.980 1
1 143 . 3 1 1 A 20 20 LYS HA H 20 4.099 4.694 -0.595 1
1 144 . 3 1 1 A 20 20 LYS CB C 20 34.026 34.602 -0.576 1
1 152 . 3 1 1 A 20 20 LYS C C 20 174.727 175.286 -0.559 1
1 157 . 3 1 1 A 21 21 SER N N 21 114.588 113.064 1.524 1
1 158 . 3 1 1 A 21 21 SER H H 21 7.743 8.349 -0.606 1
1 159 . 3 1 1 A 21 21 SER CA C 21 56.845 57.195 -0.350 1
1 160 . 3 1 1 A 21 21 SER HA H 21 5.224 5.354 -0.130 1
1 161 . 3 1 1 A 21 21 SER CB C 21 66.180 66.135 0.045 1
1 163 . 3 1 1 A 21 21 SER C C 21 172.795 172.458 0.337 1
1 165 . 3 1 1 A 22 22 PHE N N 22 117.192 118.485 -1.293 1
1 166 . 3 1 1 A 22 22 PHE H H 22 8.783 8.657 0.126 1
1 167 . 3 1 1 A 22 22 PHE CA C 22 57.524 56.755 0.769 1
1 168 . 3 1 1 A 22 22 PHE HA H 22 4.727 4.927 -0.200 1
1 169 . 3 1 1 A 22 22 PHE CB C 22 44.051 43.778 0.273 1
1 181 . 3 1 1 A 22 22 PHE C C 22 175.101 175.799 -0.698 1
1 183 . 3 1 1 A 23 23 ARG N N 23 120.595 120.477 0.118 1
1 184 . 3 1 1 A 23 23 ARG H H 23 9.190 9.005 0.185 1
1 185 . 3 1 1 A 23 23 ARG CA C 23 58.140 57.218 0.922 1
1 186 . 3 1 1 A 23 23 ARG HA H 23 4.541 4.652 -0.111 1
1 187 . 3 1 1 A 23 23 ARG CB C 23 31.352 31.686 -0.334 1
1 193 . 3 1 1 A 23 23 ARG C C 23 175.992 176.149 -0.157 1
1 197 . 3 1 1 A 24 24 GLN N N 24 113.055 118.419 -5.364 1
1 198 . 3 1 1 A 24 24 GLN H H 24 7.538 7.521 0.017 1
1 199 . 3 1 1 A 24 24 GLN CA C 24 53.944 54.851 -0.907 1
1 200 . 3 1 1 A 24 24 GLN HA H 24 4.792 4.440 0.352 1
1 201 . 3 1 1 A 24 24 GLN CB C 24 31.991 30.377 1.614 1
1 208 . 3 1 1 A 24 24 GLN C C 24 175.828 175.332 0.496 1
1 211 . 3 1 1 A 25 25 ARG N N 25 126.893 125.844 1.049 1
1 212 . 3 1 1 A 25 25 ARG H H 25 8.562 8.602 -0.040 1
1 213 . 3 1 1 A 25 25 ARG CA C 25 59.274 58.722 0.552 1
1 214 . 3 1 1 A 25 25 ARG HA H 25 2.955 3.035 -0.080 1
1 215 . 3 1 1 A 25 25 ARG CB C 25 29.418 29.685 -0.267 1
1 221 . 3 1 1 A 25 25 ARG C C 25 178.032 177.107 0.925 1
1 225 . 3 1 1 A 26 26 SER CA C 26 60.900 60.945 -0.045 1
1 226 . 3 1 1 A 26 26 SER HA H 26 3.990 4.072 -0.082 1
1 227 . 3 1 1 A 26 26 SER CB C 26 61.349 62.902 -1.553 1
1 229 . 3 1 1 A 26 26 SER C C 26 176.508 176.462 0.046 1
1 231 . 3 1 1 A 27 27 ALA N N 27 124.883 121.994 2.889 1
1 232 . 3 1 1 A 27 27 ALA H H 27 6.637 7.979 -1.342 1
1 233 . 3 1 1 A 27 27 ALA CA C 27 54.234 54.116 0.118 1
1 234 . 3 1 1 A 27 27 ALA HA H 27 4.143 4.132 0.011 1
1 235 . 3 1 1 A 27 27 ALA CB C 27 19.102 18.797 0.305 1
1 239 . 3 1 1 A 27 27 ALA C C 27 179.857 178.768 1.089 1
1 240 . 3 1 1 A 28 28 LEU N N 28 120.865 119.879 0.986 1
1 241 . 3 1 1 A 28 28 LEU H H 28 6.980 7.319 -0.339 1
1 242 . 3 1 1 A 28 28 LEU CA C 28 57.651 56.413 1.238 1
1 243 . 3 1 1 A 28 28 LEU HA H 28 3.201 3.161 0.040 1
1 244 . 3 1 1 A 28 28 LEU CB C 28 40.193 42.139 -1.946 1
1 256 . 3 1 1 A 28 28 LEU C C 28 177.607 178.434 -0.827 1
1 258 . 3 1 1 A 29 29 ASN N N 29 117.824 116.823 1.001 1
1 259 . 3 1 1 A 29 29 ASN H H 29 8.364 8.617 -0.253 1
1 260 . 3 1 1 A 29 29 ASN CA C 29 56.041 56.112 -0.071 1
1 261 . 3 1 1 A 29 29 ASN HA H 29 4.291 4.377 -0.086 1
1 262 . 3 1 1 A 29 29 ASN CB C 29 37.208 38.362 -1.154 1
1 267 . 3 1 1 A 29 29 ASN C C 29 178.174 177.064 1.110 1
1 269 . 3 1 1 A 30 30 SER N N 30 114.405 116.097 -1.692 1
1 270 . 3 1 1 A 30 30 SER H H 30 7.817 7.683 0.134 1
1 271 . 3 1 1 A 30 30 SER CA C 30 61.429 61.426 0.003 1
1 272 . 3 1 1 A 30 30 SER HA H 30 4.211 4.240 -0.029 1
1 273 . 3 1 1 A 30 30 SER CB C 30 62.626 63.425 -0.799 1
1 275 . 3 1 1 A 30 30 SER C C 30 176.722 176.485 0.237 1
1 277 . 3 1 1 A 31 31 HIS N N 31 121.832 121.845 -0.013 1
1 278 . 3 1 1 A 31 31 HIS H H 31 7.642 7.378 0.264 1
1 279 . 3 1 1 A 31 31 HIS CA C 31 59.238 59.759 -0.521 1
1 280 . 3 1 1 A 31 31 HIS HA H 31 4.197 4.066 0.131 1
1 281 . 3 1 1 A 31 31 HIS CB C 31 28.523 29.339 -0.816 1
1 287 . 3 1 1 A 31 31 HIS C C 31 176.289 177.373 -1.084 1
1 289 . 3 1 1 A 32 32 ARG N N 32 115.403 118.554 -3.151 1
1 290 . 3 1 1 A 32 32 ARG H H 32 8.369 8.239 0.130 1
1 291 . 3 1 1 A 32 32 ARG CA C 32 59.823 59.717 0.106 1
1 292 . 3 1 1 A 32 32 ARG HA H 32 3.681 3.954 -0.273 1
1 293 . 3 1 1 A 32 32 ARG CB C 32 30.134 29.875 0.259 1
1 299 . 3 1 1 A 32 32 ARG C C 32 177.770 178.852 -1.082 1
1 303 . 3 1 1 A 33 33 MET N N 33 116.194 119.118 -2.924 1
1 304 . 3 1 1 A 33 33 MET H H 33 7.101 7.835 -0.734 1
1 305 . 3 1 1 A 33 33 MET CA C 33 57.585 58.396 -0.811 1
1 306 . 3 1 1 A 33 33 MET HA H 33 4.275 4.124 0.151 1
1 307 . 3 1 1 A 33 33 MET CB C 33 32.092 32.965 -0.873 1
1 315 . 3 1 1 A 33 33 MET C C 33 178.400 178.086 0.314 1
1 318 . 3 1 1 A 34 34 ILE N N 34 116.686 117.327 -0.641 1
1 319 . 3 1 1 A 34 34 ILE H H 34 7.842 7.667 0.175 1
1 320 . 3 1 1 A 34 34 ILE CA C 34 63.035 63.508 -0.473 1
1 321 . 3 1 1 A 34 34 ILE HA H 34 4.015 3.756 0.259 1
1 322 . 3 1 1 A 34 34 ILE CB C 34 37.667 37.290 0.377 1
1 334 . 3 1 1 A 34 34 ILE C C 34 177.407 176.614 0.793 1
1 336 . 3 1 1 A 35 35 HIS N N 35 117.537 119.356 -1.819 1
1 337 . 3 1 1 A 35 35 HIS H H 35 7.269 7.178 0.091 1
1 338 . 3 1 1 A 35 35 HIS CA C 35 55.138 55.817 -0.679 1
1 339 . 3 1 1 A 35 35 HIS HA H 35 4.896 4.620 0.276 1
1 340 . 3 1 1 A 35 35 HIS CB C 35 28.592 29.653 -1.061 1
1 346 . 3 1 1 A 35 35 HIS C C 35 175.843 174.307 1.536 1
1 348 . 3 1 1 A 36 36 THR N N 36 111.953 110.505 1.448 1
1 349 . 3 1 1 A 36 36 THR H H 36 7.782 8.010 -0.228 1
1 350 . 3 1 1 A 36 36 THR CA C 36 62.695 60.257 2.438 1
1 351 . 3 1 1 A 36 36 THR HA H 36 4.338 4.789 -0.451 1
1 352 . 3 1 1 A 36 36 THR CB C 36 69.805 71.186 -1.381 1
1 358 . 3 1 1 A 36 36 THR C C 36 175.459 173.020 2.439 1
1 359 . 3 1 1 A 37 37 GLY N N 37 110.774 108.252 2.522 1
1 360 . 3 1 1 A 37 37 GLY H H 37 8.280 8.207 0.073 1
1 361 . 3 1 1 A 37 37 GLY CA C 37 45.403 44.328 1.075 1
1 362 . 3 1 1 A 37 37 GLY HA3 H 37 3.973 4.128 -0.155 1
1 363 . 3 1 1 A 37 37 GLY C C 37 174.049 172.645 1.404 1
1 364 . 3 1 1 A 37 37 GLY HA2 H 37 4.038 4.125 -0.087 1
1 365 . 3 1 1 A 38 38 GLU N N 38 120.547 122.918 -2.371 1
1 366 . 3 1 1 A 38 38 GLU H H 38 8.047 8.349 -0.302 1
1 367 . 3 1 1 A 38 38 GLU CA C 38 56.525 56.089 0.436 1
1 368 . 3 1 1 A 38 38 GLU HA H 38 4.258 4.634 -0.376 1
1 369 . 3 1 1 A 38 38 GLU CB C 38 30.671 31.521 -0.850 1
1 373 . 3 1 1 A 38 38 GLU C C 38 176.086 175.701 0.385 1
1 376 . 3 1 1 A 39 39 LYS N N 39 123.461 118.263 5.198 1
1 377 . 3 1 1 A 39 39 LYS H H 39 8.380 8.926 -0.546 1
1 378 . 3 1 1 A 39 39 LYS CA C 39 54.014 53.430 0.584 1
1 379 . 3 1 1 A 39 39 LYS HA H 39 4.634 4.951 -0.317 1
1 380 . 3 1 1 A 39 39 LYS CB C 39 32.650 35.578 -2.928 1
1 388 . 3 1 1 A 39 39 LYS C C 39 174.430 175.812 -1.382 1
1 393 . 3 1 1 A 40 40 PRO CA C 40 63.204 63.873 -0.669 1
1 394 . 3 1 1 A 40 40 PRO HA H 40 4.473 4.498 -0.025 1
1 395 . 3 1 1 A 40 40 PRO CB C 40 32.203 31.579 0.624 1
1 401 . 3 1 1 A 40 40 PRO C C 40 176.955 175.242 1.713 1
1 405 . 3 1 1 A 41 41 SER N N 41 116.471 110.268 6.203 1
1 406 . 3 1 1 A 41 41 SER H H 41 8.474 7.876 0.598 1
1 407 . 3 1 1 A 41 41 SER CA C 41 58.351 56.249 2.102 1
1 408 . 3 1 1 A 41 41 SER HA H 41 4.449 4.923 -0.474 1
1 409 . 3 1 1 A 41 41 SER CB C 41 64.036 65.657 -1.621 1
1 411 . 3 1 1 A 41 41 SER C C 41 174.649 173.828 0.821 1
1 413 . 3 1 1 A 42 42 GLY N N 42 110.620 108.201 2.419 1
1 414 . 3 1 1 A 42 42 GLY H H 42 8.230 8.459 -0.229 1
1 415 . 3 1 1 A 42 42 GLY CA C 42 44.661 44.461 0.200 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.410 44.327 1.083 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 4.029 4.108 -0.079 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.333 172.762 1.571 1
1 4 . 4 1 1 A 7 7 GLY HA2 H 7 4.029 4.107 -0.078 1
1 5 . 4 1 1 A 8 8 THR N N 8 113.596 109.964 3.632 1
1 6 . 4 1 1 A 8 8 THR H H 8 8.037 8.241 -0.204 1
1 7 . 4 1 1 A 8 8 THR CA C 8 61.631 60.151 1.480 1
1 8 . 4 1 1 A 8 8 THR HA H 8 4.339 5.222 -0.883 1
1 9 . 4 1 1 A 8 8 THR CB C 8 70.027 71.639 -1.612 1
1 15 . 4 1 1 A 8 8 THR C C 8 174.408 173.608 0.800 1
1 16 . 4 1 1 A 9 9 ALA N N 9 125.919 128.417 -2.498 1
1 17 . 4 1 1 A 9 9 ALA H H 9 8.319 8.690 -0.371 1
1 18 . 4 1 1 A 9 9 ALA CA C 9 52.725 52.658 0.067 1
1 19 . 4 1 1 A 9 9 ALA HA H 9 4.265 4.297 -0.032 1
1 20 . 4 1 1 A 9 9 ALA CB C 9 19.143 19.156 -0.013 1
1 24 . 4 1 1 A 9 9 ALA C C 9 177.703 178.440 -0.737 1
1 25 . 4 1 1 A 10 10 GLU N N 10 119.726 121.752 -2.026 1
1 26 . 4 1 1 A 10 10 GLU H H 10 8.258 8.678 -0.420 1
1 27 . 4 1 1 A 10 10 GLU CA C 10 57.161 59.121 -1.960 1
1 28 . 4 1 1 A 10 10 GLU HA H 10 4.130 4.061 0.069 1
1 29 . 4 1 1 A 10 10 GLU CB C 10 30.255 29.748 0.507 1
1 33 . 4 1 1 A 10 10 GLU C C 10 176.212 176.353 -0.141 1
1 36 . 4 1 1 A 11 11 LYS N N 11 120.765 118.535 2.230 1
1 37 . 4 1 1 A 11 11 LYS H H 11 8.078 7.875 0.203 1
1 38 . 4 1 1 A 11 11 LYS CA C 11 53.786 53.421 0.365 1
1 39 . 4 1 1 A 11 11 LYS HA H 11 4.509 4.668 -0.159 1
1 40 . 4 1 1 A 11 11 LYS CB C 11 32.725 33.191 -0.466 1
1 48 . 4 1 1 A 11 11 LYS C C 11 174.027 176.337 -2.310 1
1 53 . 4 1 1 A 12 12 PRO CA C 12 63.494 64.734 -1.240 1
1 54 . 4 1 1 A 12 12 PRO HA H 12 4.266 4.279 -0.013 1
1 55 . 4 1 1 A 12 12 PRO CB C 12 32.363 31.824 0.539 1
1 61 . 4 1 1 A 12 12 PRO C C 12 176.390 176.093 0.297 1
1 65 . 4 1 1 A 13 13 PHE N N 13 118.125 118.543 -0.418 1
1 66 . 4 1 1 A 13 13 PHE H H 13 7.951 7.730 0.221 1
1 67 . 4 1 1 A 13 13 PHE CA C 13 57.351 57.520 -0.169 1
1 68 . 4 1 1 A 13 13 PHE HA H 13 4.712 4.984 -0.272 1
1 69 . 4 1 1 A 13 13 PHE CB C 13 39.241 41.002 -1.761 1
1 81 . 4 1 1 A 13 13 PHE C C 13 174.556 174.999 -0.443 1
1 83 . 4 1 1 A 14 14 ARG N N 14 125.116 122.121 2.995 1
1 84 . 4 1 1 A 14 14 ARG H H 14 8.683 8.834 -0.151 1
1 85 . 4 1 1 A 14 14 ARG CA C 14 55.114 55.342 -0.228 1
1 86 . 4 1 1 A 14 14 ARG HA H 14 4.811 5.165 -0.354 1
1 87 . 4 1 1 A 14 14 ARG CB C 14 32.743 34.092 -1.349 1
1 93 . 4 1 1 A 14 14 ARG C C 14 175.152 174.235 0.917 1
1 97 . 4 1 1 A 15 15 CYS N N 15 126.627 124.434 2.193 1
1 98 . 4 1 1 A 15 15 CYS H H 15 8.950 9.378 -0.428 1
1 99 . 4 1 1 A 15 15 CYS CA C 15 60.705 58.354 2.351 1
1 100 . 4 1 1 A 15 15 CYS HA H 15 4.445 4.874 -0.429 1
1 101 . 4 1 1 A 15 15 CYS CB C 15 29.486 28.977 0.509 1
1 103 . 4 1 1 A 15 15 CYS C C 15 175.282 175.293 -0.011 1
1 105 . 4 1 1 A 16 16 ASP N N 16 127.711 128.206 -0.495 1
1 106 . 4 1 1 A 16 16 ASP H H 16 9.030 9.152 -0.122 1
1 107 . 4 1 1 A 16 16 ASP CA C 16 55.559 53.238 2.321 1
1 108 . 4 1 1 A 16 16 ASP HA H 16 4.588 4.812 -0.224 1
1 109 . 4 1 1 A 16 16 ASP CB C 16 40.455 39.764 0.691 1
1 111 . 4 1 1 A 16 16 ASP C C 16 176.634 177.061 -0.427 1
1 113 . 4 1 1 A 17 17 THR N N 17 119.919 114.529 5.390 1
1 114 . 4 1 1 A 17 17 THR H H 17 9.285 8.061 1.224 1
1 115 . 4 1 1 A 17 17 THR CA C 17 65.157 63.820 1.337 1
1 116 . 4 1 1 A 17 17 THR HA H 17 4.191 4.447 -0.256 1
1 117 . 4 1 1 A 17 17 THR CB C 17 69.826 70.609 -0.783 1
1 123 . 4 1 1 A 17 17 THR C C 17 174.022 175.712 -1.690 1
1 124 . 4 1 1 A 18 18 CYS N N 18 121.187 114.824 6.363 1
1 125 . 4 1 1 A 18 18 CYS H H 18 8.128 8.039 0.089 1
1 126 . 4 1 1 A 18 18 CYS CA C 18 58.215 58.089 0.126 1
1 127 . 4 1 1 A 18 18 CYS HA H 18 5.105 4.541 0.564 1
1 128 . 4 1 1 A 18 18 CYS CB C 18 31.519 27.210 4.309 1
1 130 . 4 1 1 A 18 18 CYS C C 18 174.129 174.092 0.037 1
1 132 . 4 1 1 A 19 19 ASP N N 19 118.150 117.101 1.049 1
1 133 . 4 1 1 A 19 19 ASP H H 19 8.128 8.137 -0.009 1
1 134 . 4 1 1 A 19 19 ASP CA C 19 55.559 55.362 0.197 1
1 135 . 4 1 1 A 19 19 ASP HA H 19 4.588 4.164 0.424 1
1 136 . 4 1 1 A 19 19 ASP CB C 19 40.878 39.023 1.855 1
1 138 . 4 1 1 A 19 19 ASP C C 19 175.850 174.838 1.012 1
1 140 . 4 1 1 A 20 20 LYS N N 20 121.871 117.528 4.343 1
1 141 . 4 1 1 A 20 20 LYS H H 20 8.112 7.244 0.868 1
1 142 . 4 1 1 A 20 20 LYS CA C 20 57.660 54.449 3.211 1
1 143 . 4 1 1 A 20 20 LYS HA H 20 4.099 4.890 -0.791 1
1 144 . 4 1 1 A 20 20 LYS CB C 20 34.026 35.302 -1.276 1
1 152 . 4 1 1 A 20 20 LYS C C 20 174.727 175.231 -0.504 1
1 157 . 4 1 1 A 21 21 SER N N 21 114.588 112.694 1.894 1
1 158 . 4 1 1 A 21 21 SER H H 21 7.743 8.359 -0.616 1
1 159 . 4 1 1 A 21 21 SER CA C 21 56.845 57.111 -0.266 1
1 160 . 4 1 1 A 21 21 SER HA H 21 5.224 5.395 -0.171 1
1 161 . 4 1 1 A 21 21 SER CB C 21 66.180 66.222 -0.042 1
1 163 . 4 1 1 A 21 21 SER C C 21 172.795 172.514 0.281 1
1 165 . 4 1 1 A 22 22 PHE N N 22 117.192 118.872 -1.680 1
1 166 . 4 1 1 A 22 22 PHE H H 22 8.783 8.650 0.133 1
1 167 . 4 1 1 A 22 22 PHE CA C 22 57.524 57.026 0.498 1
1 168 . 4 1 1 A 22 22 PHE HA H 22 4.727 4.982 -0.255 1
1 169 . 4 1 1 A 22 22 PHE CB C 22 44.051 43.640 0.411 1
1 181 . 4 1 1 A 22 22 PHE C C 22 175.101 175.804 -0.703 1
1 183 . 4 1 1 A 23 23 ARG N N 23 120.595 120.246 0.349 1
1 184 . 4 1 1 A 23 23 ARG H H 23 9.190 8.982 0.208 1
1 185 . 4 1 1 A 23 23 ARG CA C 23 58.140 57.116 1.024 1
1 186 . 4 1 1 A 23 23 ARG HA H 23 4.541 4.690 -0.149 1
1 187 . 4 1 1 A 23 23 ARG CB C 23 31.352 31.725 -0.373 1
1 193 . 4 1 1 A 23 23 ARG C C 23 175.992 176.149 -0.157 1
1 197 . 4 1 1 A 24 24 GLN N N 24 113.055 118.190 -5.135 1
1 198 . 4 1 1 A 24 24 GLN H H 24 7.538 7.565 -0.027 1
1 199 . 4 1 1 A 24 24 GLN CA C 24 53.944 54.875 -0.931 1
1 200 . 4 1 1 A 24 24 GLN HA H 24 4.792 4.410 0.382 1
1 201 . 4 1 1 A 24 24 GLN CB C 24 31.991 30.106 1.885 1
1 208 . 4 1 1 A 24 24 GLN C C 24 175.828 175.422 0.406 1
1 211 . 4 1 1 A 25 25 ARG N N 25 126.893 125.528 1.365 1
1 212 . 4 1 1 A 25 25 ARG H H 25 8.562 8.559 0.003 1
1 213 . 4 1 1 A 25 25 ARG CA C 25 59.274 58.751 0.523 1
1 214 . 4 1 1 A 25 25 ARG HA H 25 2.955 2.990 -0.035 1
1 215 . 4 1 1 A 25 25 ARG CB C 25 29.418 29.680 -0.262 1
1 221 . 4 1 1 A 25 25 ARG C C 25 178.032 177.109 0.923 1
1 225 . 4 1 1 A 26 26 SER CA C 26 60.900 61.030 -0.130 1
1 226 . 4 1 1 A 26 26 SER HA H 26 3.990 4.025 -0.035 1
1 227 . 4 1 1 A 26 26 SER CB C 26 61.349 62.998 -1.649 1
1 229 . 4 1 1 A 26 26 SER C C 26 176.508 176.596 -0.088 1
1 231 . 4 1 1 A 27 27 ALA N N 27 124.883 122.010 2.873 1
1 232 . 4 1 1 A 27 27 ALA H H 27 6.637 8.113 -1.476 1
1 233 . 4 1 1 A 27 27 ALA CA C 27 54.234 54.368 -0.134 1
1 234 . 4 1 1 A 27 27 ALA HA H 27 4.143 4.082 0.061 1
1 235 . 4 1 1 A 27 27 ALA CB C 27 19.102 18.687 0.415 1
1 239 . 4 1 1 A 27 27 ALA C C 27 179.857 178.792 1.065 1
1 240 . 4 1 1 A 28 28 LEU N N 28 120.865 119.703 1.162 1
1 241 . 4 1 1 A 28 28 LEU H H 28 6.980 7.272 -0.292 1
1 242 . 4 1 1 A 28 28 LEU CA C 28 57.651 56.323 1.328 1
1 243 . 4 1 1 A 28 28 LEU HA H 28 3.201 3.058 0.143 1
1 244 . 4 1 1 A 28 28 LEU CB C 28 40.193 42.104 -1.911 1
1 256 . 4 1 1 A 28 28 LEU C C 28 177.607 178.467 -0.860 1
1 258 . 4 1 1 A 29 29 ASN N N 29 117.824 116.869 0.955 1
1 259 . 4 1 1 A 29 29 ASN H H 29 8.364 8.715 -0.351 1
1 260 . 4 1 1 A 29 29 ASN CA C 29 56.041 55.992 0.049 1
1 261 . 4 1 1 A 29 29 ASN HA H 29 4.291 4.380 -0.089 1
1 262 . 4 1 1 A 29 29 ASN CB C 29 37.208 38.313 -1.105 1
1 267 . 4 1 1 A 29 29 ASN C C 29 178.174 177.084 1.090 1
1 269 . 4 1 1 A 30 30 SER N N 30 114.405 116.647 -2.242 1
1 270 . 4 1 1 A 30 30 SER H H 30 7.817 7.693 0.124 1
1 271 . 4 1 1 A 30 30 SER CA C 30 61.429 61.681 -0.252 1
1 272 . 4 1 1 A 30 30 SER HA H 30 4.211 4.222 -0.011 1
1 273 . 4 1 1 A 30 30 SER CB C 30 62.626 63.339 -0.713 1
1 275 . 4 1 1 A 30 30 SER C C 30 176.722 176.270 0.452 1
1 277 . 4 1 1 A 31 31 HIS N N 31 121.832 121.760 0.072 1
1 278 . 4 1 1 A 31 31 HIS H H 31 7.642 7.364 0.278 1
1 279 . 4 1 1 A 31 31 HIS CA C 31 59.238 59.647 -0.409 1
1 280 . 4 1 1 A 31 31 HIS HA H 31 4.197 4.091 0.106 1
1 281 . 4 1 1 A 31 31 HIS CB C 31 28.523 29.354 -0.831 1
1 287 . 4 1 1 A 31 31 HIS C C 31 176.289 177.112 -0.823 1
1 289 . 4 1 1 A 32 32 ARG N N 32 115.403 118.435 -3.032 1
1 290 . 4 1 1 A 32 32 ARG H H 32 8.369 8.314 0.055 1
1 291 . 4 1 1 A 32 32 ARG CA C 32 59.823 58.975 0.848 1
1 292 . 4 1 1 A 32 32 ARG HA H 32 3.681 3.996 -0.315 1
1 293 . 4 1 1 A 32 32 ARG CB C 32 30.134 30.017 0.117 1
1 299 . 4 1 1 A 32 32 ARG C C 32 177.770 178.789 -1.019 1
1 303 . 4 1 1 A 33 33 MET N N 33 116.194 118.970 -2.776 1
1 304 . 4 1 1 A 33 33 MET H H 33 7.101 7.951 -0.850 1
1 305 . 4 1 1 A 33 33 MET CA C 33 57.585 58.530 -0.945 1
1 306 . 4 1 1 A 33 33 MET HA H 33 4.275 4.120 0.155 1
1 307 . 4 1 1 A 33 33 MET CB C 33 32.092 33.160 -1.068 1
1 315 . 4 1 1 A 33 33 MET C C 33 178.400 178.057 0.343 1
1 318 . 4 1 1 A 34 34 ILE N N 34 116.686 116.770 -0.084 1
1 319 . 4 1 1 A 34 34 ILE H H 34 7.842 7.439 0.403 1
1 320 . 4 1 1 A 34 34 ILE CA C 34 63.035 64.184 -1.149 1
1 321 . 4 1 1 A 34 34 ILE HA H 34 4.015 3.713 0.302 1
1 322 . 4 1 1 A 34 34 ILE CB C 34 37.667 37.270 0.397 1
1 334 . 4 1 1 A 34 34 ILE C C 34 177.407 177.944 -0.537 1
1 336 . 4 1 1 A 35 35 HIS N N 35 117.537 119.513 -1.976 1
1 337 . 4 1 1 A 35 35 HIS H H 35 7.269 7.381 -0.112 1
1 338 . 4 1 1 A 35 35 HIS CA C 35 55.138 59.293 -4.155 1
1 339 . 4 1 1 A 35 35 HIS HA H 35 4.896 4.367 0.529 1
1 340 . 4 1 1 A 35 35 HIS CB C 35 28.592 30.301 -1.709 1
1 346 . 4 1 1 A 35 35 HIS C C 35 175.843 175.688 0.155 1
1 348 . 4 1 1 A 36 36 THR N N 36 111.953 111.217 0.736 1
1 349 . 4 1 1 A 36 36 THR H H 36 7.782 7.342 0.440 1
1 350 . 4 1 1 A 36 36 THR CA C 36 62.695 62.443 0.252 1
1 351 . 4 1 1 A 36 36 THR HA H 36 4.338 4.226 0.112 1
1 352 . 4 1 1 A 36 36 THR CB C 36 69.805 69.196 0.609 1
1 358 . 4 1 1 A 36 36 THR C C 36 175.459 174.899 0.560 1
1 359 . 4 1 1 A 37 37 GLY N N 37 110.774 110.036 0.738 1
1 360 . 4 1 1 A 37 37 GLY H H 37 8.280 8.569 -0.289 1
1 361 . 4 1 1 A 37 37 GLY CA C 37 45.403 44.891 0.512 1
1 362 . 4 1 1 A 37 37 GLY HA3 H 37 3.973 4.041 -0.068 1
1 363 . 4 1 1 A 37 37 GLY C C 37 174.049 173.453 0.596 1
1 364 . 4 1 1 A 37 37 GLY HA2 H 37 4.038 4.040 -0.002 1
1 365 . 4 1 1 A 38 38 GLU N N 38 120.547 118.357 2.190 1
1 366 . 4 1 1 A 38 38 GLU H H 38 8.047 8.534 -0.487 1
1 367 . 4 1 1 A 38 38 GLU CA C 38 56.525 54.952 1.573 1
1 368 . 4 1 1 A 38 38 GLU HA H 38 4.258 4.449 -0.191 1
1 369 . 4 1 1 A 38 38 GLU CB C 38 30.671 30.371 0.300 1
1 373 . 4 1 1 A 38 38 GLU C C 38 176.086 176.060 0.026 1
1 376 . 4 1 1 A 39 39 LYS N N 39 123.461 116.941 6.520 1
1 377 . 4 1 1 A 39 39 LYS H H 39 8.380 8.786 -0.406 1
1 378 . 4 1 1 A 39 39 LYS CA C 39 54.014 56.698 -2.684 1
1 379 . 4 1 1 A 39 39 LYS HA H 39 4.634 3.828 0.806 1
1 380 . 4 1 1 A 39 39 LYS CB C 39 32.650 30.163 2.487 1
1 388 . 4 1 1 A 39 39 LYS C C 39 174.430 174.949 -0.519 1
1 393 . 4 1 1 A 40 40 PRO CA C 40 63.204 62.292 0.912 1
1 394 . 4 1 1 A 40 40 PRO HA H 40 4.473 4.521 -0.048 1
1 395 . 4 1 1 A 40 40 PRO CB C 40 32.203 32.603 -0.400 1
1 401 . 4 1 1 A 40 40 PRO C C 40 176.955 176.591 0.364 1
1 405 . 4 1 1 A 41 41 SER N N 41 116.471 117.842 -1.371 1
1 406 . 4 1 1 A 41 41 SER H H 41 8.474 8.410 0.064 1
1 407 . 4 1 1 A 41 41 SER CA C 41 58.351 59.016 -0.665 1
1 408 . 4 1 1 A 41 41 SER HA H 41 4.449 4.379 0.070 1
1 409 . 4 1 1 A 41 41 SER CB C 41 64.036 64.341 -0.305 1
1 411 . 4 1 1 A 41 41 SER C C 41 174.649 176.188 -1.539 1
1 413 . 4 1 1 A 42 42 GLY N N 42 110.620 112.241 -1.621 1
1 414 . 4 1 1 A 42 42 GLY H H 42 8.230 8.684 -0.454 1
1 415 . 4 1 1 A 42 42 GLY CA C 42 44.661 48.053 -3.392 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.410 44.174 1.236 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 4.029 4.045 -0.016 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.333 171.757 2.576 1
1 4 . 5 1 1 A 7 7 GLY HA2 H 7 4.029 4.042 -0.013 1
1 5 . 5 1 1 A 8 8 THR N N 8 113.596 114.794 -1.198 1
1 6 . 5 1 1 A 8 8 THR H H 8 8.037 8.347 -0.310 1
1 7 . 5 1 1 A 8 8 THR CA C 8 61.631 60.293 1.338 1
1 8 . 5 1 1 A 8 8 THR HA H 8 4.339 5.143 -0.804 1
1 9 . 5 1 1 A 8 8 THR CB C 8 70.027 71.949 -1.922 1
1 15 . 5 1 1 A 8 8 THR C C 8 174.408 172.344 2.064 1
1 16 . 5 1 1 A 9 9 ALA N N 9 125.919 128.688 -2.769 1
1 17 . 5 1 1 A 9 9 ALA H H 9 8.319 8.479 -0.160 1
1 18 . 5 1 1 A 9 9 ALA CA C 9 52.725 51.136 1.589 1
1 19 . 5 1 1 A 9 9 ALA HA H 9 4.265 4.916 -0.651 1
1 20 . 5 1 1 A 9 9 ALA CB C 9 19.143 22.194 -3.051 1
1 24 . 5 1 1 A 9 9 ALA C C 9 177.703 178.104 -0.401 1
1 25 . 5 1 1 A 10 10 GLU N N 10 119.726 121.019 -1.293 1
1 26 . 5 1 1 A 10 10 GLU H H 10 8.258 8.696 -0.438 1
1 27 . 5 1 1 A 10 10 GLU CA C 10 57.161 58.941 -1.780 1
1 28 . 5 1 1 A 10 10 GLU HA H 10 4.130 4.158 -0.028 1
1 29 . 5 1 1 A 10 10 GLU CB C 10 30.255 29.201 1.054 1
1 33 . 5 1 1 A 10 10 GLU C C 10 176.212 176.508 -0.296 1
1 36 . 5 1 1 A 11 11 LYS N N 11 120.765 120.897 -0.132 1
1 37 . 5 1 1 A 11 11 LYS H H 11 8.078 7.971 0.107 1
1 38 . 5 1 1 A 11 11 LYS CA C 11 53.786 53.376 0.410 1
1 39 . 5 1 1 A 11 11 LYS HA H 11 4.509 4.776 -0.267 1
1 40 . 5 1 1 A 11 11 LYS CB C 11 32.725 33.882 -1.157 1
1 48 . 5 1 1 A 11 11 LYS C C 11 174.027 176.424 -2.397 1
1 53 . 5 1 1 A 12 12 PRO CA C 12 63.494 64.694 -1.200 1
1 54 . 5 1 1 A 12 12 PRO HA H 12 4.266 4.300 -0.034 1
1 55 . 5 1 1 A 12 12 PRO CB C 12 32.363 31.782 0.581 1
1 61 . 5 1 1 A 12 12 PRO C C 12 176.390 176.170 0.220 1
1 65 . 5 1 1 A 13 13 PHE N N 13 118.125 118.531 -0.406 1
1 66 . 5 1 1 A 13 13 PHE H H 13 7.951 7.543 0.408 1
1 67 . 5 1 1 A 13 13 PHE CA C 13 57.351 57.831 -0.480 1
1 68 . 5 1 1 A 13 13 PHE HA H 13 4.712 4.729 -0.017 1
1 69 . 5 1 1 A 13 13 PHE CB C 13 39.241 40.480 -1.239 1
1 81 . 5 1 1 A 13 13 PHE C C 13 174.556 175.011 -0.455 1
1 83 . 5 1 1 A 14 14 ARG N N 14 125.116 122.881 2.235 1
1 84 . 5 1 1 A 14 14 ARG H H 14 8.683 8.817 -0.134 1
1 85 . 5 1 1 A 14 14 ARG CA C 14 55.114 55.123 -0.009 1
1 86 . 5 1 1 A 14 14 ARG HA H 14 4.811 5.236 -0.425 1
1 87 . 5 1 1 A 14 14 ARG CB C 14 32.743 34.237 -1.494 1
1 93 . 5 1 1 A 14 14 ARG C C 14 175.152 174.185 0.967 1
1 97 . 5 1 1 A 15 15 CYS N N 15 126.627 124.462 2.165 1
1 98 . 5 1 1 A 15 15 CYS H H 15 8.950 9.387 -0.437 1
1 99 . 5 1 1 A 15 15 CYS CA C 15 60.705 58.310 2.395 1
1 100 . 5 1 1 A 15 15 CYS HA H 15 4.445 4.892 -0.447 1
1 101 . 5 1 1 A 15 15 CYS CB C 15 29.486 29.281 0.205 1
1 103 . 5 1 1 A 15 15 CYS C C 15 175.282 176.057 -0.775 1
1 105 . 5 1 1 A 16 16 ASP N N 16 127.711 124.858 2.853 1
1 106 . 5 1 1 A 16 16 ASP H H 16 9.030 9.075 -0.045 1
1 107 . 5 1 1 A 16 16 ASP CA C 16 55.559 54.274 1.285 1
1 108 . 5 1 1 A 16 16 ASP HA H 16 4.588 4.623 -0.035 1
1 109 . 5 1 1 A 16 16 ASP CB C 16 40.455 40.202 0.253 1
1 111 . 5 1 1 A 16 16 ASP C C 16 176.634 175.113 1.521 1
1 113 . 5 1 1 A 17 17 THR N N 17 119.919 111.738 8.181 1
1 114 . 5 1 1 A 17 17 THR H H 17 9.285 8.101 1.184 1
1 115 . 5 1 1 A 17 17 THR CA C 17 65.157 63.710 1.447 1
1 116 . 5 1 1 A 17 17 THR HA H 17 4.191 4.432 -0.241 1
1 117 . 5 1 1 A 17 17 THR CB C 17 69.826 70.503 -0.677 1
1 123 . 5 1 1 A 17 17 THR C C 17 174.022 175.699 -1.677 1
1 124 . 5 1 1 A 18 18 CYS N N 18 121.187 115.223 5.964 1
1 125 . 5 1 1 A 18 18 CYS H H 18 8.128 8.026 0.102 1
1 126 . 5 1 1 A 18 18 CYS CA C 18 58.215 58.096 0.119 1
1 127 . 5 1 1 A 18 18 CYS HA H 18 5.105 4.535 0.570 1
1 128 . 5 1 1 A 18 18 CYS CB C 18 31.519 27.490 4.029 1
1 130 . 5 1 1 A 18 18 CYS C C 18 174.129 173.992 0.137 1
1 132 . 5 1 1 A 19 19 ASP N N 19 118.150 117.348 0.802 1
1 133 . 5 1 1 A 19 19 ASP H H 19 8.128 7.689 0.439 1
1 134 . 5 1 1 A 19 19 ASP CA C 19 55.559 55.515 0.044 1
1 135 . 5 1 1 A 19 19 ASP HA H 19 4.588 4.192 0.396 1
1 136 . 5 1 1 A 19 19 ASP CB C 19 40.878 39.024 1.854 1
1 138 . 5 1 1 A 19 19 ASP C C 19 175.850 174.711 1.139 1
1 140 . 5 1 1 A 20 20 LYS N N 20 121.871 117.509 4.362 1
1 141 . 5 1 1 A 20 20 LYS H H 20 8.112 7.092 1.020 1
1 142 . 5 1 1 A 20 20 LYS CA C 20 57.660 54.393 3.267 1
1 143 . 5 1 1 A 20 20 LYS HA H 20 4.099 4.890 -0.791 1
1 144 . 5 1 1 A 20 20 LYS CB C 20 34.026 35.304 -1.278 1
1 152 . 5 1 1 A 20 20 LYS C C 20 174.727 175.249 -0.522 1
1 157 . 5 1 1 A 21 21 SER N N 21 114.588 112.425 2.163 1
1 158 . 5 1 1 A 21 21 SER H H 21 7.743 8.377 -0.634 1
1 159 . 5 1 1 A 21 21 SER CA C 21 56.845 57.053 -0.208 1
1 160 . 5 1 1 A 21 21 SER HA H 21 5.224 5.555 -0.331 1
1 161 . 5 1 1 A 21 21 SER CB C 21 66.180 66.315 -0.135 1
1 163 . 5 1 1 A 21 21 SER C C 21 172.795 172.510 0.285 1
1 165 . 5 1 1 A 22 22 PHE N N 22 117.192 118.681 -1.489 1
1 166 . 5 1 1 A 22 22 PHE H H 22 8.783 8.745 0.038 1
1 167 . 5 1 1 A 22 22 PHE CA C 22 57.524 56.626 0.898 1
1 168 . 5 1 1 A 22 22 PHE HA H 22 4.727 4.843 -0.116 1
1 169 . 5 1 1 A 22 22 PHE CB C 22 44.051 43.758 0.293 1
1 181 . 5 1 1 A 22 22 PHE C C 22 175.101 175.359 -0.258 1
1 183 . 5 1 1 A 23 23 ARG N N 23 120.595 121.949 -1.354 1
1 184 . 5 1 1 A 23 23 ARG H H 23 9.190 8.874 0.316 1
1 185 . 5 1 1 A 23 23 ARG CA C 23 58.140 57.034 1.106 1
1 186 . 5 1 1 A 23 23 ARG HA H 23 4.541 4.583 -0.042 1
1 187 . 5 1 1 A 23 23 ARG CB C 23 31.352 31.558 -0.206 1
1 193 . 5 1 1 A 23 23 ARG C C 23 175.992 175.584 0.408 1
1 197 . 5 1 1 A 24 24 GLN N N 24 113.055 118.698 -5.643 1
1 198 . 5 1 1 A 24 24 GLN H H 24 7.538 7.409 0.129 1
1 199 . 5 1 1 A 24 24 GLN CA C 24 53.944 54.873 -0.929 1
1 200 . 5 1 1 A 24 24 GLN HA H 24 4.792 4.358 0.434 1
1 201 . 5 1 1 A 24 24 GLN CB C 24 31.991 29.878 2.113 1
1 208 . 5 1 1 A 24 24 GLN C C 24 175.828 175.402 0.426 1
1 211 . 5 1 1 A 25 25 ARG N N 25 126.893 126.030 0.863 1
1 212 . 5 1 1 A 25 25 ARG H H 25 8.562 8.716 -0.154 1
1 213 . 5 1 1 A 25 25 ARG CA C 25 59.274 58.733 0.541 1
1 214 . 5 1 1 A 25 25 ARG HA H 25 2.955 3.323 -0.368 1
1 215 . 5 1 1 A 25 25 ARG CB C 25 29.418 29.933 -0.515 1
1 221 . 5 1 1 A 25 25 ARG C C 25 178.032 177.277 0.755 1
1 225 . 5 1 1 A 26 26 SER CA C 26 60.900 60.357 0.543 1
1 226 . 5 1 1 A 26 26 SER HA H 26 3.990 4.158 -0.168 1
1 227 . 5 1 1 A 26 26 SER CB C 26 61.349 62.738 -1.389 1
1 229 . 5 1 1 A 26 26 SER C C 26 176.508 176.161 0.347 1
1 231 . 5 1 1 A 27 27 ALA N N 27 124.883 121.542 3.341 1
1 232 . 5 1 1 A 27 27 ALA H H 27 6.637 7.806 -1.169 1
1 233 . 5 1 1 A 27 27 ALA CA C 27 54.234 53.817 0.417 1
1 234 . 5 1 1 A 27 27 ALA HA H 27 4.143 4.165 -0.022 1
1 235 . 5 1 1 A 27 27 ALA CB C 27 19.102 18.799 0.303 1
1 239 . 5 1 1 A 27 27 ALA C C 27 179.857 179.017 0.840 1
1 240 . 5 1 1 A 28 28 LEU N N 28 120.865 119.997 0.868 1
1 241 . 5 1 1 A 28 28 LEU H H 28 6.980 7.379 -0.399 1
1 242 . 5 1 1 A 28 28 LEU CA C 28 57.651 56.344 1.307 1
1 243 . 5 1 1 A 28 28 LEU HA H 28 3.201 3.117 0.084 1
1 244 . 5 1 1 A 28 28 LEU CB C 28 40.193 42.196 -2.003 1
1 256 . 5 1 1 A 28 28 LEU C C 28 177.607 178.505 -0.898 1
1 258 . 5 1 1 A 29 29 ASN N N 29 117.824 117.153 0.671 1
1 259 . 5 1 1 A 29 29 ASN H H 29 8.364 8.293 0.071 1
1 260 . 5 1 1 A 29 29 ASN CA C 29 56.041 56.047 -0.006 1
1 261 . 5 1 1 A 29 29 ASN HA H 29 4.291 4.401 -0.110 1
1 262 . 5 1 1 A 29 29 ASN CB C 29 37.208 38.488 -1.280 1
1 267 . 5 1 1 A 29 29 ASN C C 29 178.174 177.101 1.073 1
1 269 . 5 1 1 A 30 30 SER N N 30 114.405 116.519 -2.114 1
1 270 . 5 1 1 A 30 30 SER H H 30 7.817 7.708 0.109 1
1 271 . 5 1 1 A 30 30 SER CA C 30 61.429 61.793 -0.364 1
1 272 . 5 1 1 A 30 30 SER HA H 30 4.211 4.227 -0.016 1
1 273 . 5 1 1 A 30 30 SER CB C 30 62.626 63.355 -0.729 1
1 275 . 5 1 1 A 30 30 SER C C 30 176.722 176.214 0.508 1
1 277 . 5 1 1 A 31 31 HIS N N 31 121.832 121.772 0.060 1
1 278 . 5 1 1 A 31 31 HIS H H 31 7.642 7.372 0.270 1
1 279 . 5 1 1 A 31 31 HIS CA C 31 59.238 59.599 -0.361 1
1 280 . 5 1 1 A 31 31 HIS HA H 31 4.197 4.084 0.113 1
1 281 . 5 1 1 A 31 31 HIS CB C 31 28.523 29.227 -0.704 1
1 287 . 5 1 1 A 31 31 HIS C C 31 176.289 177.200 -0.911 1
1 289 . 5 1 1 A 32 32 ARG N N 32 115.403 118.454 -3.051 1
1 290 . 5 1 1 A 32 32 ARG H H 32 8.369 8.218 0.151 1
1 291 . 5 1 1 A 32 32 ARG CA C 32 59.823 59.454 0.369 1
1 292 . 5 1 1 A 32 32 ARG HA H 32 3.681 4.025 -0.344 1
1 293 . 5 1 1 A 32 32 ARG CB C 32 30.134 29.861 0.273 1
1 299 . 5 1 1 A 32 32 ARG C C 32 177.770 178.980 -1.210 1
1 303 . 5 1 1 A 33 33 MET N N 33 116.194 118.930 -2.736 1
1 304 . 5 1 1 A 33 33 MET H H 33 7.101 7.969 -0.868 1
1 305 . 5 1 1 A 33 33 MET CA C 33 57.585 58.126 -0.541 1
1 306 . 5 1 1 A 33 33 MET HA H 33 4.275 4.163 0.112 1
1 307 . 5 1 1 A 33 33 MET CB C 33 32.092 33.081 -0.989 1
1 315 . 5 1 1 A 33 33 MET C C 33 178.400 178.117 0.283 1
1 318 . 5 1 1 A 34 34 ILE N N 34 116.686 117.081 -0.395 1
1 319 . 5 1 1 A 34 34 ILE H H 34 7.842 7.396 0.446 1
1 320 . 5 1 1 A 34 34 ILE CA C 34 63.035 63.910 -0.875 1
1 321 . 5 1 1 A 34 34 ILE HA H 34 4.015 3.738 0.277 1
1 322 . 5 1 1 A 34 34 ILE CB C 34 37.667 37.288 0.379 1
1 334 . 5 1 1 A 34 34 ILE C C 34 177.407 177.411 -0.004 1
1 336 . 5 1 1 A 35 35 HIS N N 35 117.537 119.642 -2.105 1
1 337 . 5 1 1 A 35 35 HIS H H 35 7.269 7.446 -0.177 1
1 338 . 5 1 1 A 35 35 HIS CA C 35 55.138 59.042 -3.904 1
1 339 . 5 1 1 A 35 35 HIS HA H 35 4.896 4.376 0.520 1
1 340 . 5 1 1 A 35 35 HIS CB C 35 28.592 30.910 -2.318 1
1 346 . 5 1 1 A 35 35 HIS C C 35 175.843 175.545 0.298 1
1 348 . 5 1 1 A 36 36 THR N N 36 111.953 111.862 0.091 1
1 349 . 5 1 1 A 36 36 THR H H 36 7.782 7.234 0.548 1
1 350 . 5 1 1 A 36 36 THR CA C 36 62.695 62.037 0.658 1
1 351 . 5 1 1 A 36 36 THR HA H 36 4.338 4.221 0.117 1
1 352 . 5 1 1 A 36 36 THR CB C 36 69.805 69.850 -0.045 1
1 358 . 5 1 1 A 36 36 THR C C 36 175.459 174.859 0.600 1
1 359 . 5 1 1 A 37 37 GLY N N 37 110.774 108.677 2.097 1
1 360 . 5 1 1 A 37 37 GLY H H 37 8.280 8.514 -0.234 1
1 361 . 5 1 1 A 37 37 GLY CA C 37 45.403 45.937 -0.534 1
1 362 . 5 1 1 A 37 37 GLY HA3 H 37 3.973 3.967 0.006 1
1 363 . 5 1 1 A 37 37 GLY C C 37 174.049 173.452 0.597 1
1 364 . 5 1 1 A 37 37 GLY HA2 H 37 4.038 3.965 0.073 1
1 365 . 5 1 1 A 38 38 GLU N N 38 120.547 125.897 -5.350 1
1 366 . 5 1 1 A 38 38 GLU H H 38 8.047 8.542 -0.495 1
1 367 . 5 1 1 A 38 38 GLU CA C 38 56.525 56.157 0.368 1
1 368 . 5 1 1 A 38 38 GLU HA H 38 4.258 4.412 -0.154 1
1 369 . 5 1 1 A 38 38 GLU CB C 38 30.671 30.224 0.447 1
1 373 . 5 1 1 A 38 38 GLU C C 38 176.086 176.331 -0.245 1
1 376 . 5 1 1 A 39 39 LYS N N 39 123.461 123.548 -0.087 1
1 377 . 5 1 1 A 39 39 LYS H H 39 8.380 8.413 -0.033 1
1 378 . 5 1 1 A 39 39 LYS CA C 39 54.014 55.371 -1.357 1
1 379 . 5 1 1 A 39 39 LYS HA H 39 4.634 4.222 0.412 1
1 380 . 5 1 1 A 39 39 LYS CB C 39 32.650 31.853 0.797 1
1 388 . 5 1 1 A 39 39 LYS C C 39 174.430 174.901 -0.471 1
1 393 . 5 1 1 A 40 40 PRO CA C 40 63.204 62.628 0.576 1
1 394 . 5 1 1 A 40 40 PRO HA H 40 4.473 4.494 -0.021 1
1 395 . 5 1 1 A 40 40 PRO CB C 40 32.203 31.944 0.259 1
1 401 . 5 1 1 A 40 40 PRO C C 40 176.955 176.481 0.474 1
1 405 . 5 1 1 A 41 41 SER N N 41 116.471 115.434 1.037 1
1 406 . 5 1 1 A 41 41 SER H H 41 8.474 8.365 0.109 1
1 407 . 5 1 1 A 41 41 SER CA C 41 58.351 57.124 1.227 1
1 408 . 5 1 1 A 41 41 SER HA H 41 4.449 4.620 -0.171 1
1 409 . 5 1 1 A 41 41 SER CB C 41 64.036 64.035 0.001 1
1 411 . 5 1 1 A 41 41 SER C C 41 174.649 175.770 -1.121 1
1 413 . 5 1 1 A 42 42 GLY N N 42 110.620 109.745 0.875 1
1 414 . 5 1 1 A 42 42 GLY H H 42 8.230 8.703 -0.473 1
1 415 . 5 1 1 A 42 42 GLY CA C 42 44.661 48.150 -3.489 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.410 45.076 0.334 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 4.029 4.016 0.013 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.333 172.407 1.926 1
1 4 . 6 1 1 A 7 7 GLY HA2 H 7 4.029 4.015 0.014 1
1 5 . 6 1 1 A 8 8 THR N N 8 113.596 111.889 1.707 1
1 6 . 6 1 1 A 8 8 THR H H 8 8.037 8.401 -0.364 1
1 7 . 6 1 1 A 8 8 THR CA C 8 61.631 60.816 0.815 1
1 8 . 6 1 1 A 8 8 THR HA H 8 4.339 5.223 -0.884 1
1 9 . 6 1 1 A 8 8 THR CB C 8 70.027 71.273 -1.246 1
1 15 . 6 1 1 A 8 8 THR C C 8 174.408 173.569 0.839 1
1 16 . 6 1 1 A 9 9 ALA N N 9 125.919 124.672 1.247 1
1 17 . 6 1 1 A 9 9 ALA H H 9 8.319 8.424 -0.105 1
1 18 . 6 1 1 A 9 9 ALA CA C 9 52.725 51.706 1.019 1
1 19 . 6 1 1 A 9 9 ALA HA H 9 4.265 4.736 -0.471 1
1 20 . 6 1 1 A 9 9 ALA CB C 9 19.143 22.485 -3.342 1
1 24 . 6 1 1 A 9 9 ALA C C 9 177.703 177.237 0.466 1
1 25 . 6 1 1 A 10 10 GLU N N 10 119.726 120.744 -1.018 1
1 26 . 6 1 1 A 10 10 GLU H H 10 8.258 8.817 -0.559 1
1 27 . 6 1 1 A 10 10 GLU CA C 10 57.161 58.300 -1.139 1
1 28 . 6 1 1 A 10 10 GLU HA H 10 4.130 4.167 -0.037 1
1 29 . 6 1 1 A 10 10 GLU CB C 10 30.255 29.184 1.071 1
1 33 . 6 1 1 A 10 10 GLU C C 10 176.212 176.272 -0.060 1
1 36 . 6 1 1 A 11 11 LYS N N 11 120.765 120.850 -0.085 1
1 37 . 6 1 1 A 11 11 LYS H H 11 8.078 7.683 0.395 1
1 38 . 6 1 1 A 11 11 LYS CA C 11 53.786 53.220 0.566 1
1 39 . 6 1 1 A 11 11 LYS HA H 11 4.509 4.774 -0.265 1
1 40 . 6 1 1 A 11 11 LYS CB C 11 32.725 33.888 -1.163 1
1 48 . 6 1 1 A 11 11 LYS C C 11 174.027 176.371 -2.344 1
1 53 . 6 1 1 A 12 12 PRO CA C 12 63.494 64.296 -0.802 1
1 54 . 6 1 1 A 12 12 PRO HA H 12 4.266 4.330 -0.064 1
1 55 . 6 1 1 A 12 12 PRO CB C 12 32.363 31.549 0.814 1
1 61 . 6 1 1 A 12 12 PRO C C 12 176.390 176.005 0.385 1
1 65 . 6 1 1 A 13 13 PHE N N 13 118.125 118.384 -0.259 1
1 66 . 6 1 1 A 13 13 PHE H H 13 7.951 7.650 0.301 1
1 67 . 6 1 1 A 13 13 PHE CA C 13 57.351 57.352 -0.001 1
1 68 . 6 1 1 A 13 13 PHE HA H 13 4.712 5.055 -0.343 1
1 69 . 6 1 1 A 13 13 PHE CB C 13 39.241 41.692 -2.451 1
1 81 . 6 1 1 A 13 13 PHE C C 13 174.556 174.759 -0.203 1
1 83 . 6 1 1 A 14 14 ARG N N 14 125.116 122.303 2.813 1
1 84 . 6 1 1 A 14 14 ARG H H 14 8.683 8.730 -0.047 1
1 85 . 6 1 1 A 14 14 ARG CA C 14 55.114 55.358 -0.244 1
1 86 . 6 1 1 A 14 14 ARG HA H 14 4.811 5.201 -0.390 1
1 87 . 6 1 1 A 14 14 ARG CB C 14 32.743 34.139 -1.396 1
1 93 . 6 1 1 A 14 14 ARG C C 14 175.152 174.216 0.936 1
1 97 . 6 1 1 A 15 15 CYS N N 15 126.627 124.433 2.194 1
1 98 . 6 1 1 A 15 15 CYS H H 15 8.950 9.355 -0.405 1
1 99 . 6 1 1 A 15 15 CYS CA C 15 60.705 58.242 2.463 1
1 100 . 6 1 1 A 15 15 CYS HA H 15 4.445 4.880 -0.435 1
1 101 . 6 1 1 A 15 15 CYS CB C 15 29.486 29.272 0.214 1
1 103 . 6 1 1 A 15 15 CYS C C 15 175.282 175.285 -0.003 1
1 105 . 6 1 1 A 16 16 ASP N N 16 127.711 128.192 -0.481 1
1 106 . 6 1 1 A 16 16 ASP H H 16 9.030 9.128 -0.098 1
1 107 . 6 1 1 A 16 16 ASP CA C 16 55.559 53.233 2.326 1
1 108 . 6 1 1 A 16 16 ASP HA H 16 4.588 4.812 -0.224 1
1 109 . 6 1 1 A 16 16 ASP CB C 16 40.455 39.767 0.688 1
1 111 . 6 1 1 A 16 16 ASP C C 16 176.634 177.058 -0.424 1
1 113 . 6 1 1 A 17 17 THR N N 17 119.919 114.136 5.783 1
1 114 . 6 1 1 A 17 17 THR H H 17 9.285 8.110 1.175 1
1 115 . 6 1 1 A 17 17 THR CA C 17 65.157 63.742 1.415 1
1 116 . 6 1 1 A 17 17 THR HA H 17 4.191 4.450 -0.259 1
1 117 . 6 1 1 A 17 17 THR CB C 17 69.826 70.566 -0.740 1
1 123 . 6 1 1 A 17 17 THR C C 17 174.022 175.749 -1.727 1
1 124 . 6 1 1 A 18 18 CYS N N 18 121.187 115.221 5.966 1
1 125 . 6 1 1 A 18 18 CYS H H 18 8.128 8.028 0.100 1
1 126 . 6 1 1 A 18 18 CYS CA C 18 58.215 58.058 0.157 1
1 127 . 6 1 1 A 18 18 CYS HA H 18 5.105 4.480 0.625 1
1 128 . 6 1 1 A 18 18 CYS CB C 18 31.519 27.748 3.771 1
1 130 . 6 1 1 A 18 18 CYS C C 18 174.129 174.142 -0.013 1
1 132 . 6 1 1 A 19 19 ASP N N 19 118.150 117.212 0.938 1
1 133 . 6 1 1 A 19 19 ASP H H 19 8.128 7.719 0.409 1
1 134 . 6 1 1 A 19 19 ASP CA C 19 55.559 55.532 0.027 1
1 135 . 6 1 1 A 19 19 ASP HA H 19 4.588 4.220 0.368 1
1 136 . 6 1 1 A 19 19 ASP CB C 19 40.878 38.870 2.008 1
1 138 . 6 1 1 A 19 19 ASP C C 19 175.850 174.745 1.105 1
1 140 . 6 1 1 A 20 20 LYS N N 20 121.871 117.608 4.263 1
1 141 . 6 1 1 A 20 20 LYS H H 20 8.112 7.783 0.329 1
1 142 . 6 1 1 A 20 20 LYS CA C 20 57.660 54.652 3.008 1
1 143 . 6 1 1 A 20 20 LYS HA H 20 4.099 4.686 -0.587 1
1 144 . 6 1 1 A 20 20 LYS CB C 20 34.026 34.636 -0.610 1
1 152 . 6 1 1 A 20 20 LYS C C 20 174.727 175.193 -0.466 1
1 157 . 6 1 1 A 21 21 SER N N 21 114.588 112.353 2.235 1
1 158 . 6 1 1 A 21 21 SER H H 21 7.743 8.362 -0.619 1
1 159 . 6 1 1 A 21 21 SER CA C 21 56.845 57.126 -0.281 1
1 160 . 6 1 1 A 21 21 SER HA H 21 5.224 5.392 -0.168 1
1 161 . 6 1 1 A 21 21 SER CB C 21 66.180 66.246 -0.066 1
1 163 . 6 1 1 A 21 21 SER C C 21 172.795 172.501 0.294 1
1 165 . 6 1 1 A 22 22 PHE N N 22 117.192 118.787 -1.595 1
1 166 . 6 1 1 A 22 22 PHE H H 22 8.783 8.688 0.095 1
1 167 . 6 1 1 A 22 22 PHE CA C 22 57.524 57.032 0.492 1
1 168 . 6 1 1 A 22 22 PHE HA H 22 4.727 4.992 -0.265 1
1 169 . 6 1 1 A 22 22 PHE CB C 22 44.051 43.656 0.395 1
1 181 . 6 1 1 A 22 22 PHE C C 22 175.101 175.716 -0.615 1
1 183 . 6 1 1 A 23 23 ARG N N 23 120.595 120.152 0.443 1
1 184 . 6 1 1 A 23 23 ARG H H 23 9.190 8.870 0.320 1
1 185 . 6 1 1 A 23 23 ARG CA C 23 58.140 56.933 1.207 1
1 186 . 6 1 1 A 23 23 ARG HA H 23 4.541 4.754 -0.213 1
1 187 . 6 1 1 A 23 23 ARG CB C 23 31.352 32.204 -0.852 1
1 193 . 6 1 1 A 23 23 ARG C C 23 175.992 175.830 0.162 1
1 197 . 6 1 1 A 24 24 GLN N N 24 113.055 118.387 -5.332 1
1 198 . 6 1 1 A 24 24 GLN H H 24 7.538 7.451 0.087 1
1 199 . 6 1 1 A 24 24 GLN CA C 24 53.944 54.909 -0.965 1
1 200 . 6 1 1 A 24 24 GLN HA H 24 4.792 4.387 0.405 1
1 201 . 6 1 1 A 24 24 GLN CB C 24 31.991 29.915 2.076 1
1 208 . 6 1 1 A 24 24 GLN C C 24 175.828 175.463 0.365 1
1 211 . 6 1 1 A 25 25 ARG N N 25 126.893 125.608 1.285 1
1 212 . 6 1 1 A 25 25 ARG H H 25 8.562 8.663 -0.101 1
1 213 . 6 1 1 A 25 25 ARG CA C 25 59.274 58.708 0.566 1
1 214 . 6 1 1 A 25 25 ARG HA H 25 2.955 3.106 -0.151 1
1 215 . 6 1 1 A 25 25 ARG CB C 25 29.418 29.740 -0.322 1
1 221 . 6 1 1 A 25 25 ARG C C 25 178.032 177.210 0.822 1
1 225 . 6 1 1 A 26 26 SER CA C 26 60.900 60.738 0.162 1
1 226 . 6 1 1 A 26 26 SER HA H 26 3.990 4.163 -0.173 1
1 227 . 6 1 1 A 26 26 SER CB C 26 61.349 62.847 -1.498 1
1 229 . 6 1 1 A 26 26 SER C C 26 176.508 176.281 0.227 1
1 231 . 6 1 1 A 27 27 ALA N N 27 124.883 121.722 3.161 1
1 232 . 6 1 1 A 27 27 ALA H H 27 6.637 7.928 -1.291 1
1 233 . 6 1 1 A 27 27 ALA CA C 27 54.234 54.005 0.229 1
1 234 . 6 1 1 A 27 27 ALA HA H 27 4.143 4.159 -0.016 1
1 235 . 6 1 1 A 27 27 ALA CB C 27 19.102 18.855 0.247 1
1 239 . 6 1 1 A 27 27 ALA C C 27 179.857 178.924 0.933 1
1 240 . 6 1 1 A 28 28 LEU N N 28 120.865 119.726 1.139 1
1 241 . 6 1 1 A 28 28 LEU H H 28 6.980 7.272 -0.292 1
1 242 . 6 1 1 A 28 28 LEU CA C 28 57.651 56.341 1.310 1
1 243 . 6 1 1 A 28 28 LEU HA H 28 3.201 3.156 0.045 1
1 244 . 6 1 1 A 28 28 LEU CB C 28 40.193 42.155 -1.962 1
1 256 . 6 1 1 A 28 28 LEU C C 28 177.607 178.503 -0.896 1
1 258 . 6 1 1 A 29 29 ASN N N 29 117.824 117.064 0.760 1
1 259 . 6 1 1 A 29 29 ASN H H 29 8.364 8.449 -0.085 1
1 260 . 6 1 1 A 29 29 ASN CA C 29 56.041 56.033 0.008 1
1 261 . 6 1 1 A 29 29 ASN HA H 29 4.291 4.394 -0.103 1
1 262 . 6 1 1 A 29 29 ASN CB C 29 37.208 38.323 -1.115 1
1 267 . 6 1 1 A 29 29 ASN C C 29 178.174 177.171 1.003 1
1 269 . 6 1 1 A 30 30 SER N N 30 114.405 115.370 -0.965 1
1 270 . 6 1 1 A 30 30 SER H H 30 7.817 7.698 0.119 1
1 271 . 6 1 1 A 30 30 SER CA C 30 61.429 61.066 0.363 1
1 272 . 6 1 1 A 30 30 SER HA H 30 4.211 4.384 -0.173 1
1 273 . 6 1 1 A 30 30 SER CB C 30 62.626 63.148 -0.522 1
1 275 . 6 1 1 A 30 30 SER C C 30 176.722 176.822 -0.100 1
1 277 . 6 1 1 A 31 31 HIS N N 31 121.832 121.000 0.832 1
1 278 . 6 1 1 A 31 31 HIS H H 31 7.642 7.513 0.129 1
1 279 . 6 1 1 A 31 31 HIS CA C 31 59.238 59.934 -0.696 1
1 280 . 6 1 1 A 31 31 HIS HA H 31 4.197 4.082 0.115 1
1 281 . 6 1 1 A 31 31 HIS CB C 31 28.523 29.385 -0.862 1
1 287 . 6 1 1 A 31 31 HIS C C 31 176.289 177.372 -1.083 1
1 289 . 6 1 1 A 32 32 ARG N N 32 115.403 118.374 -2.971 1
1 290 . 6 1 1 A 32 32 ARG H H 32 8.369 8.185 0.184 1
1 291 . 6 1 1 A 32 32 ARG CA C 32 59.823 59.759 0.064 1
1 292 . 6 1 1 A 32 32 ARG HA H 32 3.681 4.010 -0.329 1
1 293 . 6 1 1 A 32 32 ARG CB C 32 30.134 29.821 0.313 1
1 299 . 6 1 1 A 32 32 ARG C C 32 177.770 178.901 -1.131 1
1 303 . 6 1 1 A 33 33 MET N N 33 116.194 119.125 -2.931 1
1 304 . 6 1 1 A 33 33 MET H H 33 7.101 7.982 -0.881 1
1 305 . 6 1 1 A 33 33 MET CA C 33 57.585 58.417 -0.832 1
1 306 . 6 1 1 A 33 33 MET HA H 33 4.275 4.119 0.156 1
1 307 . 6 1 1 A 33 33 MET CB C 33 32.092 32.897 -0.805 1
1 315 . 6 1 1 A 33 33 MET C C 33 178.400 178.112 0.288 1
1 318 . 6 1 1 A 34 34 ILE N N 34 116.686 116.790 -0.104 1
1 319 . 6 1 1 A 34 34 ILE H H 34 7.842 7.850 -0.008 1
1 320 . 6 1 1 A 34 34 ILE CA C 34 63.035 63.760 -0.725 1
1 321 . 6 1 1 A 34 34 ILE HA H 34 4.015 3.777 0.238 1
1 322 . 6 1 1 A 34 34 ILE CB C 34 37.667 37.322 0.345 1
1 334 . 6 1 1 A 34 34 ILE C C 34 177.407 176.796 0.611 1
1 336 . 6 1 1 A 35 35 HIS N N 35 117.537 119.215 -1.678 1
1 337 . 6 1 1 A 35 35 HIS H H 35 7.269 7.197 0.072 1
1 338 . 6 1 1 A 35 35 HIS CA C 35 55.138 54.482 0.656 1
1 339 . 6 1 1 A 35 35 HIS HA H 35 4.896 4.670 0.226 1
1 340 . 6 1 1 A 35 35 HIS CB C 35 28.592 27.554 1.038 1
1 346 . 6 1 1 A 35 35 HIS C C 35 175.843 173.685 2.158 1
1 348 . 6 1 1 A 36 36 THR N N 36 111.953 109.956 1.997 1
1 349 . 6 1 1 A 36 36 THR H H 36 7.782 7.676 0.106 1
1 350 . 6 1 1 A 36 36 THR CA C 36 62.695 59.761 2.934 1
1 351 . 6 1 1 A 36 36 THR HA H 36 4.338 4.825 -0.487 1
1 352 . 6 1 1 A 36 36 THR CB C 36 69.805 71.909 -2.104 1
1 358 . 6 1 1 A 36 36 THR C C 36 175.459 173.951 1.508 1
1 359 . 6 1 1 A 37 37 GLY N N 37 110.774 109.178 1.596 1
1 360 . 6 1 1 A 37 37 GLY H H 37 8.280 8.347 -0.067 1
1 361 . 6 1 1 A 37 37 GLY CA C 37 45.403 45.965 -0.562 1
1 362 . 6 1 1 A 37 37 GLY HA3 H 37 3.973 4.081 -0.108 1
1 363 . 6 1 1 A 37 37 GLY C C 37 174.049 174.545 -0.496 1
1 364 . 6 1 1 A 37 37 GLY HA2 H 37 4.038 4.076 -0.038 1
1 365 . 6 1 1 A 38 38 GLU N N 38 120.547 122.063 -1.516 1
1 366 . 6 1 1 A 38 38 GLU H H 38 8.047 7.832 0.215 1
1 367 . 6 1 1 A 38 38 GLU CA C 38 56.525 57.179 -0.654 1
1 368 . 6 1 1 A 38 38 GLU HA H 38 4.258 4.273 -0.015 1
1 369 . 6 1 1 A 38 38 GLU CB C 38 30.671 30.629 0.042 1
1 373 . 6 1 1 A 38 38 GLU C C 38 176.086 175.557 0.529 1
1 376 . 6 1 1 A 39 39 LYS N N 39 123.461 126.195 -2.734 1
1 377 . 6 1 1 A 39 39 LYS H H 39 8.380 8.378 0.002 1
1 378 . 6 1 1 A 39 39 LYS CA C 39 54.014 52.926 1.088 1
1 379 . 6 1 1 A 39 39 LYS HA H 39 4.634 4.700 -0.066 1
1 380 . 6 1 1 A 39 39 LYS CB C 39 32.650 34.749 -2.099 1
1 388 . 6 1 1 A 39 39 LYS C C 39 174.430 175.857 -1.427 1
1 393 . 6 1 1 A 40 40 PRO CA C 40 63.204 63.676 -0.472 1
1 394 . 6 1 1 A 40 40 PRO HA H 40 4.473 4.410 0.063 1
1 395 . 6 1 1 A 40 40 PRO CB C 40 32.203 32.040 0.163 1
1 401 . 6 1 1 A 40 40 PRO C C 40 176.955 176.708 0.247 1
1 405 . 6 1 1 A 41 41 SER N N 41 116.471 112.252 4.219 1
1 406 . 6 1 1 A 41 41 SER H H 41 8.474 8.039 0.435 1
1 407 . 6 1 1 A 41 41 SER CA C 41 58.351 59.420 -1.069 1
1 408 . 6 1 1 A 41 41 SER HA H 41 4.449 4.125 0.324 1
1 409 . 6 1 1 A 41 41 SER CB C 41 64.036 61.254 2.782 1
1 411 . 6 1 1 A 41 41 SER C C 41 174.649 173.943 0.706 1
1 413 . 6 1 1 A 42 42 GLY N N 42 110.620 107.874 2.746 1
1 414 . 6 1 1 A 42 42 GLY H H 42 8.230 8.190 0.040 1
1 415 . 6 1 1 A 42 42 GLY CA C 42 44.661 44.078 0.583 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.410 45.887 -0.477 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 4.029 4.180 -0.151 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.333 172.043 2.290 1
1 4 . 7 1 1 A 7 7 GLY HA2 H 7 4.029 4.179 -0.150 1
1 5 . 7 1 1 A 8 8 THR N N 8 113.596 116.261 -2.665 1
1 6 . 7 1 1 A 8 8 THR H H 8 8.037 8.535 -0.498 1
1 7 . 7 1 1 A 8 8 THR CA C 8 61.631 61.192 0.439 1
1 8 . 7 1 1 A 8 8 THR HA H 8 4.339 4.801 -0.462 1
1 9 . 7 1 1 A 8 8 THR CB C 8 70.027 70.584 -0.557 1
1 15 . 7 1 1 A 8 8 THR C C 8 174.408 172.418 1.990 1
1 16 . 7 1 1 A 9 9 ALA N N 9 125.919 128.344 -2.425 1
1 17 . 7 1 1 A 9 9 ALA H H 9 8.319 8.485 -0.166 1
1 18 . 7 1 1 A 9 9 ALA CA C 9 52.725 52.174 0.551 1
1 19 . 7 1 1 A 9 9 ALA HA H 9 4.265 4.454 -0.189 1
1 20 . 7 1 1 A 9 9 ALA CB C 9 19.143 19.170 -0.027 1
1 24 . 7 1 1 A 9 9 ALA C C 9 177.703 177.884 -0.181 1
1 25 . 7 1 1 A 10 10 GLU N N 10 119.726 120.911 -1.185 1
1 26 . 7 1 1 A 10 10 GLU H H 10 8.258 8.779 -0.521 1
1 27 . 7 1 1 A 10 10 GLU CA C 10 57.161 57.864 -0.703 1
1 28 . 7 1 1 A 10 10 GLU HA H 10 4.130 4.260 -0.130 1
1 29 . 7 1 1 A 10 10 GLU CB C 10 30.255 30.014 0.241 1
1 33 . 7 1 1 A 10 10 GLU C C 10 176.212 176.082 0.130 1
1 36 . 7 1 1 A 11 11 LYS N N 11 120.765 119.461 1.304 1
1 37 . 7 1 1 A 11 11 LYS H H 11 8.078 7.535 0.543 1
1 38 . 7 1 1 A 11 11 LYS CA C 11 53.786 53.172 0.614 1
1 39 . 7 1 1 A 11 11 LYS HA H 11 4.509 4.709 -0.200 1
1 40 . 7 1 1 A 11 11 LYS CB C 11 32.725 33.739 -1.014 1
1 48 . 7 1 1 A 11 11 LYS C C 11 174.027 176.477 -2.450 1
1 53 . 7 1 1 A 12 12 PRO CA C 12 63.494 64.606 -1.112 1
1 54 . 7 1 1 A 12 12 PRO HA H 12 4.266 4.288 -0.022 1
1 55 . 7 1 1 A 12 12 PRO CB C 12 32.363 31.773 0.590 1
1 61 . 7 1 1 A 12 12 PRO C C 12 176.390 176.073 0.317 1
1 65 . 7 1 1 A 13 13 PHE N N 13 118.125 118.509 -0.384 1
1 66 . 7 1 1 A 13 13 PHE H H 13 7.951 7.618 0.333 1
1 67 . 7 1 1 A 13 13 PHE CA C 13 57.351 57.473 -0.122 1
1 68 . 7 1 1 A 13 13 PHE HA H 13 4.712 4.988 -0.276 1
1 69 . 7 1 1 A 13 13 PHE CB C 13 39.241 41.012 -1.771 1
1 81 . 7 1 1 A 13 13 PHE C C 13 174.556 175.099 -0.543 1
1 83 . 7 1 1 A 14 14 ARG N N 14 125.116 122.181 2.935 1
1 84 . 7 1 1 A 14 14 ARG H H 14 8.683 8.850 -0.167 1
1 85 . 7 1 1 A 14 14 ARG CA C 14 55.114 55.398 -0.284 1
1 86 . 7 1 1 A 14 14 ARG HA H 14 4.811 5.171 -0.360 1
1 87 . 7 1 1 A 14 14 ARG CB C 14 32.743 34.174 -1.431 1
1 93 . 7 1 1 A 14 14 ARG C C 14 175.152 174.145 1.007 1
1 97 . 7 1 1 A 15 15 CYS N N 15 126.627 124.478 2.149 1
1 98 . 7 1 1 A 15 15 CYS H H 15 8.950 9.433 -0.483 1
1 99 . 7 1 1 A 15 15 CYS CA C 15 60.705 58.440 2.265 1
1 100 . 7 1 1 A 15 15 CYS HA H 15 4.445 4.854 -0.409 1
1 101 . 7 1 1 A 15 15 CYS CB C 15 29.486 28.706 0.780 1
1 103 . 7 1 1 A 15 15 CYS C C 15 175.282 176.042 -0.760 1
1 105 . 7 1 1 A 16 16 ASP N N 16 127.711 124.980 2.731 1
1 106 . 7 1 1 A 16 16 ASP H H 16 9.030 9.052 -0.022 1
1 107 . 7 1 1 A 16 16 ASP CA C 16 55.559 54.298 1.261 1
1 108 . 7 1 1 A 16 16 ASP HA H 16 4.588 4.568 0.020 1
1 109 . 7 1 1 A 16 16 ASP CB C 16 40.455 40.098 0.357 1
1 111 . 7 1 1 A 16 16 ASP C C 16 176.634 175.091 1.543 1
1 113 . 7 1 1 A 17 17 THR N N 17 119.919 111.527 8.392 1
1 114 . 7 1 1 A 17 17 THR H H 17 9.285 8.160 1.125 1
1 115 . 7 1 1 A 17 17 THR CA C 17 65.157 63.623 1.534 1
1 116 . 7 1 1 A 17 17 THR HA H 17 4.191 4.450 -0.259 1
1 117 . 7 1 1 A 17 17 THR CB C 17 69.826 70.620 -0.794 1
1 123 . 7 1 1 A 17 17 THR C C 17 174.022 175.666 -1.644 1
1 124 . 7 1 1 A 18 18 CYS N N 18 121.187 115.099 6.088 1
1 125 . 7 1 1 A 18 18 CYS H H 18 8.128 8.074 0.054 1
1 126 . 7 1 1 A 18 18 CYS CA C 18 58.215 58.099 0.116 1
1 127 . 7 1 1 A 18 18 CYS HA H 18 5.105 4.574 0.531 1
1 128 . 7 1 1 A 18 18 CYS CB C 18 31.519 27.610 3.909 1
1 130 . 7 1 1 A 18 18 CYS C C 18 174.129 174.658 -0.529 1
1 132 . 7 1 1 A 19 19 ASP N N 19 118.150 119.692 -1.542 1
1 133 . 7 1 1 A 19 19 ASP H H 19 8.128 7.755 0.373 1
1 134 . 7 1 1 A 19 19 ASP CA C 19 55.559 54.984 0.575 1
1 135 . 7 1 1 A 19 19 ASP HA H 19 4.588 4.272 0.316 1
1 136 . 7 1 1 A 19 19 ASP CB C 19 40.878 39.510 1.368 1
1 138 . 7 1 1 A 19 19 ASP C C 19 175.850 174.815 1.035 1
1 140 . 7 1 1 A 20 20 LYS N N 20 121.871 118.155 3.716 1
1 141 . 7 1 1 A 20 20 LYS H H 20 8.112 7.214 0.898 1
1 142 . 7 1 1 A 20 20 LYS CA C 20 57.660 54.443 3.217 1
1 143 . 7 1 1 A 20 20 LYS HA H 20 4.099 4.894 -0.795 1
1 144 . 7 1 1 A 20 20 LYS CB C 20 34.026 35.305 -1.279 1
1 152 . 7 1 1 A 20 20 LYS C C 20 174.727 175.204 -0.477 1
1 157 . 7 1 1 A 21 21 SER N N 21 114.588 112.679 1.909 1
1 158 . 7 1 1 A 21 21 SER H H 21 7.743 8.391 -0.648 1
1 159 . 7 1 1 A 21 21 SER CA C 21 56.845 57.056 -0.211 1
1 160 . 7 1 1 A 21 21 SER HA H 21 5.224 5.400 -0.176 1
1 161 . 7 1 1 A 21 21 SER CB C 21 66.180 66.228 -0.048 1
1 163 . 7 1 1 A 21 21 SER C C 21 172.795 172.460 0.335 1
1 165 . 7 1 1 A 22 22 PHE N N 22 117.192 118.917 -1.725 1
1 166 . 7 1 1 A 22 22 PHE H H 22 8.783 8.683 0.100 1
1 167 . 7 1 1 A 22 22 PHE CA C 22 57.524 56.794 0.730 1
1 168 . 7 1 1 A 22 22 PHE HA H 22 4.727 4.873 -0.146 1
1 169 . 7 1 1 A 22 22 PHE CB C 22 44.051 43.540 0.511 1
1 181 . 7 1 1 A 22 22 PHE C C 22 175.101 175.915 -0.814 1
1 183 . 7 1 1 A 23 23 ARG N N 23 120.595 120.174 0.421 1
1 184 . 7 1 1 A 23 23 ARG H H 23 9.190 8.962 0.228 1
1 185 . 7 1 1 A 23 23 ARG CA C 23 58.140 57.132 1.008 1
1 186 . 7 1 1 A 23 23 ARG HA H 23 4.541 4.726 -0.185 1
1 187 . 7 1 1 A 23 23 ARG CB C 23 31.352 31.907 -0.555 1
1 193 . 7 1 1 A 23 23 ARG C C 23 175.992 175.990 0.002 1
1 197 . 7 1 1 A 24 24 GLN N N 24 113.055 118.598 -5.543 1
1 198 . 7 1 1 A 24 24 GLN H H 24 7.538 7.493 0.045 1
1 199 . 7 1 1 A 24 24 GLN CA C 24 53.944 54.715 -0.771 1
1 200 . 7 1 1 A 24 24 GLN HA H 24 4.792 4.425 0.367 1
1 201 . 7 1 1 A 24 24 GLN CB C 24 31.991 30.609 1.382 1
1 208 . 7 1 1 A 24 24 GLN C C 24 175.828 175.222 0.606 1
1 211 . 7 1 1 A 25 25 ARG N N 25 126.893 126.138 0.755 1
1 212 . 7 1 1 A 25 25 ARG H H 25 8.562 8.535 0.027 1
1 213 . 7 1 1 A 25 25 ARG CA C 25 59.274 58.765 0.509 1
1 214 . 7 1 1 A 25 25 ARG HA H 25 2.955 3.085 -0.130 1
1 215 . 7 1 1 A 25 25 ARG CB C 25 29.418 29.731 -0.313 1
1 221 . 7 1 1 A 25 25 ARG C C 25 178.032 177.188 0.844 1
1 225 . 7 1 1 A 26 26 SER CA C 26 60.900 60.974 -0.074 1
1 226 . 7 1 1 A 26 26 SER HA H 26 3.990 4.114 -0.124 1
1 227 . 7 1 1 A 26 26 SER CB C 26 61.349 62.986 -1.637 1
1 229 . 7 1 1 A 26 26 SER C C 26 176.508 176.419 0.089 1
1 231 . 7 1 1 A 27 27 ALA N N 27 124.883 121.717 3.166 1
1 232 . 7 1 1 A 27 27 ALA H H 27 6.637 7.960 -1.323 1
1 233 . 7 1 1 A 27 27 ALA CA C 27 54.234 54.104 0.130 1
1 234 . 7 1 1 A 27 27 ALA HA H 27 4.143 4.110 0.033 1
1 235 . 7 1 1 A 27 27 ALA CB C 27 19.102 18.766 0.336 1
1 239 . 7 1 1 A 27 27 ALA C C 27 179.857 178.780 1.077 1
1 240 . 7 1 1 A 28 28 LEU N N 28 120.865 119.845 1.020 1
1 241 . 7 1 1 A 28 28 LEU H H 28 6.980 7.340 -0.360 1
1 242 . 7 1 1 A 28 28 LEU CA C 28 57.651 56.389 1.262 1
1 243 . 7 1 1 A 28 28 LEU HA H 28 3.201 3.092 0.109 1
1 244 . 7 1 1 A 28 28 LEU CB C 28 40.193 42.104 -1.911 1
1 256 . 7 1 1 A 28 28 LEU C C 28 177.607 178.454 -0.847 1
1 258 . 7 1 1 A 29 29 ASN N N 29 117.824 117.054 0.770 1
1 259 . 7 1 1 A 29 29 ASN H H 29 8.364 8.486 -0.122 1
1 260 . 7 1 1 A 29 29 ASN CA C 29 56.041 56.018 0.023 1
1 261 . 7 1 1 A 29 29 ASN HA H 29 4.291 4.387 -0.096 1
1 262 . 7 1 1 A 29 29 ASN CB C 29 37.208 38.419 -1.211 1
1 267 . 7 1 1 A 29 29 ASN C C 29 178.174 177.109 1.065 1
1 269 . 7 1 1 A 30 30 SER N N 30 114.405 115.183 -0.778 1
1 270 . 7 1 1 A 30 30 SER H H 30 7.817 7.700 0.117 1
1 271 . 7 1 1 A 30 30 SER CA C 30 61.429 61.063 0.366 1
1 272 . 7 1 1 A 30 30 SER HA H 30 4.211 4.362 -0.151 1
1 273 . 7 1 1 A 30 30 SER CB C 30 62.626 63.148 -0.522 1
1 275 . 7 1 1 A 30 30 SER C C 30 176.722 176.827 -0.105 1
1 277 . 7 1 1 A 31 31 HIS N N 31 121.832 120.692 1.140 1
1 278 . 7 1 1 A 31 31 HIS H H 31 7.642 7.428 0.214 1
1 279 . 7 1 1 A 31 31 HIS CA C 31 59.238 59.995 -0.757 1
1 280 . 7 1 1 A 31 31 HIS HA H 31 4.197 4.074 0.123 1
1 281 . 7 1 1 A 31 31 HIS CB C 31 28.523 29.339 -0.816 1
1 287 . 7 1 1 A 31 31 HIS C C 31 176.289 177.272 -0.983 1
1 289 . 7 1 1 A 32 32 ARG N N 32 115.403 118.478 -3.075 1
1 290 . 7 1 1 A 32 32 ARG H H 32 8.369 8.232 0.137 1
1 291 . 7 1 1 A 32 32 ARG CA C 32 59.823 59.121 0.702 1
1 292 . 7 1 1 A 32 32 ARG HA H 32 3.681 3.999 -0.318 1
1 293 . 7 1 1 A 32 32 ARG CB C 32 30.134 29.937 0.197 1
1 299 . 7 1 1 A 32 32 ARG C C 32 177.770 178.928 -1.158 1
1 303 . 7 1 1 A 33 33 MET N N 33 116.194 119.024 -2.830 1
1 304 . 7 1 1 A 33 33 MET H H 33 7.101 8.055 -0.954 1
1 305 . 7 1 1 A 33 33 MET CA C 33 57.585 58.452 -0.867 1
1 306 . 7 1 1 A 33 33 MET HA H 33 4.275 4.150 0.125 1
1 307 . 7 1 1 A 33 33 MET CB C 33 32.092 33.030 -0.938 1
1 315 . 7 1 1 A 33 33 MET C C 33 178.400 178.093 0.307 1
1 318 . 7 1 1 A 34 34 ILE N N 34 116.686 117.285 -0.599 1
1 319 . 7 1 1 A 34 34 ILE H H 34 7.842 7.676 0.166 1
1 320 . 7 1 1 A 34 34 ILE CA C 34 63.035 63.935 -0.900 1
1 321 . 7 1 1 A 34 34 ILE HA H 34 4.015 3.738 0.277 1
1 322 . 7 1 1 A 34 34 ILE CB C 34 37.667 37.265 0.402 1
1 334 . 7 1 1 A 34 34 ILE C C 34 177.407 177.274 0.133 1
1 336 . 7 1 1 A 35 35 HIS N N 35 117.537 119.855 -2.318 1
1 337 . 7 1 1 A 35 35 HIS H H 35 7.269 7.296 -0.027 1
1 338 . 7 1 1 A 35 35 HIS CA C 35 55.138 58.899 -3.761 1
1 339 . 7 1 1 A 35 35 HIS HA H 35 4.896 4.382 0.514 1
1 340 . 7 1 1 A 35 35 HIS CB C 35 28.592 30.630 -2.038 1
1 346 . 7 1 1 A 35 35 HIS C C 35 175.843 176.169 -0.326 1
1 348 . 7 1 1 A 36 36 THR N N 36 111.953 108.340 3.613 1
1 349 . 7 1 1 A 36 36 THR H H 36 7.782 8.143 -0.361 1
1 350 . 7 1 1 A 36 36 THR CA C 36 62.695 61.457 1.238 1
1 351 . 7 1 1 A 36 36 THR HA H 36 4.338 4.287 0.051 1
1 352 . 7 1 1 A 36 36 THR CB C 36 69.805 68.581 1.224 1
1 358 . 7 1 1 A 36 36 THR C C 36 175.459 174.408 1.051 1
1 359 . 7 1 1 A 37 37 GLY N N 37 110.774 110.595 0.179 1
1 360 . 7 1 1 A 37 37 GLY H H 37 8.280 8.129 0.151 1
1 361 . 7 1 1 A 37 37 GLY CA C 37 45.403 46.568 -1.165 1
1 362 . 7 1 1 A 37 37 GLY HA3 H 37 3.973 4.062 -0.089 1
1 363 . 7 1 1 A 37 37 GLY C C 37 174.049 174.927 -0.878 1
1 364 . 7 1 1 A 37 37 GLY HA2 H 37 4.038 4.061 -0.023 1
1 365 . 7 1 1 A 38 38 GLU N N 38 120.547 120.599 -0.052 1
1 366 . 7 1 1 A 38 38 GLU H H 38 8.047 8.765 -0.718 1
1 367 . 7 1 1 A 38 38 GLU CA C 38 56.525 54.997 1.528 1
1 368 . 7 1 1 A 38 38 GLU HA H 38 4.258 4.560 -0.302 1
1 369 . 7 1 1 A 38 38 GLU CB C 38 30.671 29.040 1.631 1
1 373 . 7 1 1 A 38 38 GLU C C 38 176.086 176.325 -0.239 1
1 376 . 7 1 1 A 39 39 LYS N N 39 123.461 119.169 4.292 1
1 377 . 7 1 1 A 39 39 LYS H H 39 8.380 7.972 0.408 1
1 378 . 7 1 1 A 39 39 LYS CA C 39 54.014 57.246 -3.232 1
1 379 . 7 1 1 A 39 39 LYS HA H 39 4.634 4.023 0.611 1
1 380 . 7 1 1 A 39 39 LYS CB C 39 32.650 30.782 1.868 1
1 388 . 7 1 1 A 39 39 LYS C C 39 174.430 177.128 -2.698 1
1 393 . 7 1 1 A 40 40 PRO CA C 40 63.204 64.783 -1.579 1
1 394 . 7 1 1 A 40 40 PRO HA H 40 4.473 4.454 0.019 1
1 395 . 7 1 1 A 40 40 PRO CB C 40 32.203 32.026 0.177 1
1 401 . 7 1 1 A 40 40 PRO C C 40 176.955 176.499 0.456 1
1 405 . 7 1 1 A 41 41 SER N N 41 116.471 113.091 3.380 1
1 406 . 7 1 1 A 41 41 SER H H 41 8.474 7.603 0.871 1
1 407 . 7 1 1 A 41 41 SER CA C 41 58.351 57.605 0.746 1
1 408 . 7 1 1 A 41 41 SER HA H 41 4.449 4.776 -0.327 1
1 409 . 7 1 1 A 41 41 SER CB C 41 64.036 66.979 -2.943 1
1 411 . 7 1 1 A 41 41 SER C C 41 174.649 172.439 2.210 1
1 413 . 7 1 1 A 42 42 GLY N N 42 110.620 110.456 0.164 1
1 414 . 7 1 1 A 42 42 GLY H H 42 8.230 8.484 -0.254 1
1 415 . 7 1 1 A 42 42 GLY CA C 42 44.661 44.947 -0.286 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.410 44.476 0.934 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 4.029 4.109 -0.080 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.333 172.308 2.025 1
1 4 . 8 1 1 A 7 7 GLY HA2 H 7 4.029 4.108 -0.079 1
1 5 . 8 1 1 A 8 8 THR N N 8 113.596 114.705 -1.109 1
1 6 . 8 1 1 A 8 8 THR H H 8 8.037 8.257 -0.220 1
1 7 . 8 1 1 A 8 8 THR CA C 8 61.631 59.515 2.116 1
1 8 . 8 1 1 A 8 8 THR HA H 8 4.339 5.044 -0.705 1
1 9 . 8 1 1 A 8 8 THR CB C 8 70.027 71.518 -1.491 1
1 15 . 8 1 1 A 8 8 THR C C 8 174.408 173.093 1.315 1
1 16 . 8 1 1 A 9 9 ALA N N 9 125.919 129.015 -3.096 1
1 17 . 8 1 1 A 9 9 ALA H H 9 8.319 8.532 -0.213 1
1 18 . 8 1 1 A 9 9 ALA CA C 9 52.725 53.116 -0.391 1
1 19 . 8 1 1 A 9 9 ALA HA H 9 4.265 4.184 0.081 1
1 20 . 8 1 1 A 9 9 ALA CB C 9 19.143 19.751 -0.608 1
1 24 . 8 1 1 A 9 9 ALA C C 9 177.703 178.746 -1.043 1
1 25 . 8 1 1 A 10 10 GLU N N 10 119.726 124.603 -4.877 1
1 26 . 8 1 1 A 10 10 GLU H H 10 8.258 8.847 -0.589 1
1 27 . 8 1 1 A 10 10 GLU CA C 10 57.161 59.294 -2.133 1
1 28 . 8 1 1 A 10 10 GLU HA H 10 4.130 4.011 0.119 1
1 29 . 8 1 1 A 10 10 GLU CB C 10 30.255 29.731 0.524 1
1 33 . 8 1 1 A 10 10 GLU C C 10 176.212 175.944 0.268 1
1 36 . 8 1 1 A 11 11 LYS N N 11 120.765 118.036 2.729 1
1 37 . 8 1 1 A 11 11 LYS H H 11 8.078 7.973 0.105 1
1 38 . 8 1 1 A 11 11 LYS CA C 11 53.786 53.351 0.435 1
1 39 . 8 1 1 A 11 11 LYS HA H 11 4.509 4.745 -0.236 1
1 40 . 8 1 1 A 11 11 LYS CB C 11 32.725 33.723 -0.998 1
1 48 . 8 1 1 A 11 11 LYS C C 11 174.027 176.485 -2.458 1
1 53 . 8 1 1 A 12 12 PRO CA C 12 63.494 64.295 -0.801 1
1 54 . 8 1 1 A 12 12 PRO HA H 12 4.266 4.334 -0.068 1
1 55 . 8 1 1 A 12 12 PRO CB C 12 32.363 31.552 0.811 1
1 61 . 8 1 1 A 12 12 PRO C C 12 176.390 175.991 0.399 1
1 65 . 8 1 1 A 13 13 PHE N N 13 118.125 118.373 -0.248 1
1 66 . 8 1 1 A 13 13 PHE H H 13 7.951 7.632 0.319 1
1 67 . 8 1 1 A 13 13 PHE CA C 13 57.351 57.362 -0.011 1
1 68 . 8 1 1 A 13 13 PHE HA H 13 4.712 5.045 -0.333 1
1 69 . 8 1 1 A 13 13 PHE CB C 13 39.241 41.806 -2.565 1
1 81 . 8 1 1 A 13 13 PHE C C 13 174.556 174.783 -0.227 1
1 83 . 8 1 1 A 14 14 ARG N N 14 125.116 122.113 3.003 1
1 84 . 8 1 1 A 14 14 ARG H H 14 8.683 8.733 -0.050 1
1 85 . 8 1 1 A 14 14 ARG CA C 14 55.114 55.359 -0.245 1
1 86 . 8 1 1 A 14 14 ARG HA H 14 4.811 5.142 -0.331 1
1 87 . 8 1 1 A 14 14 ARG CB C 14 32.743 34.141 -1.398 1
1 93 . 8 1 1 A 14 14 ARG C C 14 175.152 174.239 0.913 1
1 97 . 8 1 1 A 15 15 CYS N N 15 126.627 124.430 2.197 1
1 98 . 8 1 1 A 15 15 CYS H H 15 8.950 9.477 -0.527 1
1 99 . 8 1 1 A 15 15 CYS CA C 15 60.705 58.318 2.387 1
1 100 . 8 1 1 A 15 15 CYS HA H 15 4.445 4.894 -0.449 1
1 101 . 8 1 1 A 15 15 CYS CB C 15 29.486 28.941 0.545 1
1 103 . 8 1 1 A 15 15 CYS C C 15 175.282 176.081 -0.799 1
1 105 . 8 1 1 A 16 16 ASP N N 16 127.711 124.590 3.121 1
1 106 . 8 1 1 A 16 16 ASP H H 16 9.030 9.039 -0.009 1
1 107 . 8 1 1 A 16 16 ASP CA C 16 55.559 54.268 1.291 1
1 108 . 8 1 1 A 16 16 ASP HA H 16 4.588 4.682 -0.094 1
1 109 . 8 1 1 A 16 16 ASP CB C 16 40.455 40.251 0.204 1
1 111 . 8 1 1 A 16 16 ASP C C 16 176.634 175.090 1.544 1
1 113 . 8 1 1 A 17 17 THR N N 17 119.919 111.677 8.242 1
1 114 . 8 1 1 A 17 17 THR H H 17 9.285 8.066 1.219 1
1 115 . 8 1 1 A 17 17 THR CA C 17 65.157 63.788 1.369 1
1 116 . 8 1 1 A 17 17 THR HA H 17 4.191 4.417 -0.226 1
1 117 . 8 1 1 A 17 17 THR CB C 17 69.826 70.286 -0.460 1
1 123 . 8 1 1 A 17 17 THR C C 17 174.022 175.735 -1.713 1
1 124 . 8 1 1 A 18 18 CYS N N 18 121.187 114.807 6.380 1
1 125 . 8 1 1 A 18 18 CYS H H 18 8.128 8.037 0.091 1
1 126 . 8 1 1 A 18 18 CYS CA C 18 58.215 57.933 0.282 1
1 127 . 8 1 1 A 18 18 CYS HA H 18 5.105 4.570 0.535 1
1 128 . 8 1 1 A 18 18 CYS CB C 18 31.519 27.422 4.097 1
1 130 . 8 1 1 A 18 18 CYS C C 18 174.129 174.614 -0.485 1
1 132 . 8 1 1 A 19 19 ASP N N 19 118.150 119.570 -1.420 1
1 133 . 8 1 1 A 19 19 ASP H H 19 8.128 8.171 -0.043 1
1 134 . 8 1 1 A 19 19 ASP CA C 19 55.559 54.910 0.649 1
1 135 . 8 1 1 A 19 19 ASP HA H 19 4.588 4.337 0.251 1
1 136 . 8 1 1 A 19 19 ASP CB C 19 40.878 38.474 2.404 1
1 138 . 8 1 1 A 19 19 ASP C C 19 175.850 175.030 0.820 1
1 140 . 8 1 1 A 20 20 LYS N N 20 121.871 119.629 2.242 1
1 141 . 8 1 1 A 20 20 LYS H H 20 8.112 7.210 0.902 1
1 142 . 8 1 1 A 20 20 LYS CA C 20 57.660 54.417 3.243 1
1 143 . 8 1 1 A 20 20 LYS HA H 20 4.099 4.873 -0.774 1
1 144 . 8 1 1 A 20 20 LYS CB C 20 34.026 35.363 -1.337 1
1 152 . 8 1 1 A 20 20 LYS C C 20 174.727 175.205 -0.478 1
1 157 . 8 1 1 A 21 21 SER N N 21 114.588 112.909 1.679 1
1 158 . 8 1 1 A 21 21 SER H H 21 7.743 8.383 -0.640 1
1 159 . 8 1 1 A 21 21 SER CA C 21 56.845 57.119 -0.274 1
1 160 . 8 1 1 A 21 21 SER HA H 21 5.224 5.415 -0.191 1
1 161 . 8 1 1 A 21 21 SER CB C 21 66.180 66.228 -0.048 1
1 163 . 8 1 1 A 21 21 SER C C 21 172.795 172.483 0.312 1
1 165 . 8 1 1 A 22 22 PHE N N 22 117.192 118.883 -1.691 1
1 166 . 8 1 1 A 22 22 PHE H H 22 8.783 8.663 0.120 1
1 167 . 8 1 1 A 22 22 PHE CA C 22 57.524 57.046 0.478 1
1 168 . 8 1 1 A 22 22 PHE HA H 22 4.727 4.969 -0.242 1
1 169 . 8 1 1 A 22 22 PHE CB C 22 44.051 43.467 0.584 1
1 181 . 8 1 1 A 22 22 PHE C C 22 175.101 175.804 -0.703 1
1 183 . 8 1 1 A 23 23 ARG N N 23 120.595 120.179 0.416 1
1 184 . 8 1 1 A 23 23 ARG H H 23 9.190 8.932 0.258 1
1 185 . 8 1 1 A 23 23 ARG CA C 23 58.140 56.965 1.175 1
1 186 . 8 1 1 A 23 23 ARG HA H 23 4.541 4.772 -0.231 1
1 187 . 8 1 1 A 23 23 ARG CB C 23 31.352 32.203 -0.851 1
1 193 . 8 1 1 A 23 23 ARG C C 23 175.992 175.998 -0.006 1
1 197 . 8 1 1 A 24 24 GLN N N 24 113.055 118.183 -5.128 1
1 198 . 8 1 1 A 24 24 GLN H H 24 7.538 7.600 -0.062 1
1 199 . 8 1 1 A 24 24 GLN CA C 24 53.944 54.866 -0.922 1
1 200 . 8 1 1 A 24 24 GLN HA H 24 4.792 4.415 0.377 1
1 201 . 8 1 1 A 24 24 GLN CB C 24 31.991 29.920 2.071 1
1 208 . 8 1 1 A 24 24 GLN C C 24 175.828 175.520 0.308 1
1 211 . 8 1 1 A 25 25 ARG N N 25 126.893 125.595 1.298 1
1 212 . 8 1 1 A 25 25 ARG H H 25 8.562 8.631 -0.069 1
1 213 . 8 1 1 A 25 25 ARG CA C 25 59.274 58.850 0.424 1
1 214 . 8 1 1 A 25 25 ARG HA H 25 2.955 2.990 -0.035 1
1 215 . 8 1 1 A 25 25 ARG CB C 25 29.418 29.780 -0.362 1
1 221 . 8 1 1 A 25 25 ARG C C 25 178.032 177.117 0.915 1
1 225 . 8 1 1 A 26 26 SER CA C 26 60.900 61.019 -0.119 1
1 226 . 8 1 1 A 26 26 SER HA H 26 3.990 4.073 -0.083 1
1 227 . 8 1 1 A 26 26 SER CB C 26 61.349 62.950 -1.601 1
1 229 . 8 1 1 A 26 26 SER C C 26 176.508 176.465 0.043 1
1 231 . 8 1 1 A 27 27 ALA N N 27 124.883 121.993 2.890 1
1 232 . 8 1 1 A 27 27 ALA H H 27 6.637 7.980 -1.343 1
1 233 . 8 1 1 A 27 27 ALA CA C 27 54.234 54.147 0.087 1
1 234 . 8 1 1 A 27 27 ALA HA H 27 4.143 4.125 0.018 1
1 235 . 8 1 1 A 27 27 ALA CB C 27 19.102 18.784 0.318 1
1 239 . 8 1 1 A 27 27 ALA C C 27 179.857 178.802 1.055 1
1 240 . 8 1 1 A 28 28 LEU N N 28 120.865 119.815 1.050 1
1 241 . 8 1 1 A 28 28 LEU H H 28 6.980 7.323 -0.343 1
1 242 . 8 1 1 A 28 28 LEU CA C 28 57.651 56.394 1.257 1
1 243 . 8 1 1 A 28 28 LEU HA H 28 3.201 3.061 0.140 1
1 244 . 8 1 1 A 28 28 LEU CB C 28 40.193 42.072 -1.879 1
1 256 . 8 1 1 A 28 28 LEU C C 28 177.607 178.311 -0.704 1
1 258 . 8 1 1 A 29 29 ASN N N 29 117.824 116.820 1.004 1
1 259 . 8 1 1 A 29 29 ASN H H 29 8.364 8.662 -0.298 1
1 260 . 8 1 1 A 29 29 ASN CA C 29 56.041 56.132 -0.091 1
1 261 . 8 1 1 A 29 29 ASN HA H 29 4.291 4.357 -0.066 1
1 262 . 8 1 1 A 29 29 ASN CB C 29 37.208 38.221 -1.013 1
1 267 . 8 1 1 A 29 29 ASN C C 29 178.174 177.237 0.937 1
1 269 . 8 1 1 A 30 30 SER N N 30 114.405 116.617 -2.212 1
1 270 . 8 1 1 A 30 30 SER H H 30 7.817 7.730 0.087 1
1 271 . 8 1 1 A 30 30 SER CA C 30 61.429 61.800 -0.371 1
1 272 . 8 1 1 A 30 30 SER HA H 30 4.211 4.223 -0.012 1
1 273 . 8 1 1 A 30 30 SER CB C 30 62.626 63.269 -0.643 1
1 275 . 8 1 1 A 30 30 SER C C 30 176.722 176.214 0.508 1
1 277 . 8 1 1 A 31 31 HIS N N 31 121.832 121.793 0.039 1
1 278 . 8 1 1 A 31 31 HIS H H 31 7.642 7.357 0.285 1
1 279 . 8 1 1 A 31 31 HIS CA C 31 59.238 59.624 -0.386 1
1 280 . 8 1 1 A 31 31 HIS HA H 31 4.197 4.105 0.092 1
1 281 . 8 1 1 A 31 31 HIS CB C 31 28.523 29.318 -0.795 1
1 287 . 8 1 1 A 31 31 HIS C C 31 176.289 177.338 -1.049 1
1 289 . 8 1 1 A 32 32 ARG N N 32 115.403 118.335 -2.932 1
1 290 . 8 1 1 A 32 32 ARG H H 32 8.369 8.189 0.180 1
1 291 . 8 1 1 A 32 32 ARG CA C 32 59.823 59.685 0.138 1
1 292 . 8 1 1 A 32 32 ARG HA H 32 3.681 3.948 -0.267 1
1 293 . 8 1 1 A 32 32 ARG CB C 32 30.134 29.741 0.393 1
1 299 . 8 1 1 A 32 32 ARG C C 32 177.770 178.890 -1.120 1
1 303 . 8 1 1 A 33 33 MET N N 33 116.194 118.948 -2.754 1
1 304 . 8 1 1 A 33 33 MET H H 33 7.101 7.915 -0.814 1
1 305 . 8 1 1 A 33 33 MET CA C 33 57.585 58.251 -0.666 1
1 306 . 8 1 1 A 33 33 MET HA H 33 4.275 4.152 0.123 1
1 307 . 8 1 1 A 33 33 MET CB C 33 32.092 32.772 -0.680 1
1 315 . 8 1 1 A 33 33 MET C C 33 178.400 178.102 0.298 1
1 318 . 8 1 1 A 34 34 ILE N N 34 116.686 117.102 -0.416 1
1 319 . 8 1 1 A 34 34 ILE H H 34 7.842 7.749 0.093 1
1 320 . 8 1 1 A 34 34 ILE CA C 34 63.035 64.106 -1.071 1
1 321 . 8 1 1 A 34 34 ILE HA H 34 4.015 3.738 0.277 1
1 322 . 8 1 1 A 34 34 ILE CB C 34 37.667 37.273 0.394 1
1 334 . 8 1 1 A 34 34 ILE C C 34 177.407 177.491 -0.084 1
1 336 . 8 1 1 A 35 35 HIS N N 35 117.537 120.743 -3.206 1
1 337 . 8 1 1 A 35 35 HIS H H 35 7.269 7.418 -0.149 1
1 338 . 8 1 1 A 35 35 HIS CA C 35 55.138 58.924 -3.786 1
1 339 . 8 1 1 A 35 35 HIS HA H 35 4.896 4.410 0.486 1
1 340 . 8 1 1 A 35 35 HIS CB C 35 28.592 30.039 -1.447 1
1 346 . 8 1 1 A 35 35 HIS C C 35 175.843 175.575 0.268 1
1 348 . 8 1 1 A 36 36 THR N N 36 111.953 111.240 0.713 1
1 349 . 8 1 1 A 36 36 THR H H 36 7.782 7.858 -0.076 1
1 350 . 8 1 1 A 36 36 THR CA C 36 62.695 62.903 -0.208 1
1 351 . 8 1 1 A 36 36 THR HA H 36 4.338 3.997 0.341 1
1 352 . 8 1 1 A 36 36 THR CB C 36 69.805 66.764 3.041 1
1 358 . 8 1 1 A 36 36 THR C C 36 175.459 174.571 0.888 1
1 359 . 8 1 1 A 37 37 GLY N N 37 110.774 109.906 0.868 1
1 360 . 8 1 1 A 37 37 GLY H H 37 8.280 8.287 -0.007 1
1 361 . 8 1 1 A 37 37 GLY CA C 37 45.403 46.824 -1.421 1
1 362 . 8 1 1 A 37 37 GLY HA3 H 37 3.973 3.970 0.003 1
1 363 . 8 1 1 A 37 37 GLY C C 37 174.049 172.740 1.309 1
1 364 . 8 1 1 A 37 37 GLY HA2 H 37 4.038 3.965 0.073 1
1 365 . 8 1 1 A 38 38 GLU N N 38 120.547 123.331 -2.784 1
1 366 . 8 1 1 A 38 38 GLU H H 38 8.047 8.121 -0.074 1
1 367 . 8 1 1 A 38 38 GLU CA C 38 56.525 54.566 1.959 1
1 368 . 8 1 1 A 38 38 GLU HA H 38 4.258 4.900 -0.642 1
1 369 . 8 1 1 A 38 38 GLU CB C 38 30.671 33.378 -2.707 1
1 373 . 8 1 1 A 38 38 GLU C C 38 176.086 175.021 1.065 1
1 376 . 8 1 1 A 39 39 LYS N N 39 123.461 124.880 -1.419 1
1 377 . 8 1 1 A 39 39 LYS H H 39 8.380 8.438 -0.058 1
1 378 . 8 1 1 A 39 39 LYS CA C 39 54.014 55.421 -1.407 1
1 379 . 8 1 1 A 39 39 LYS HA H 39 4.634 4.270 0.364 1
1 380 . 8 1 1 A 39 39 LYS CB C 39 32.650 32.128 0.522 1
1 388 . 8 1 1 A 39 39 LYS C C 39 174.430 174.944 -0.514 1
1 393 . 8 1 1 A 40 40 PRO CA C 40 63.204 62.555 0.649 1
1 394 . 8 1 1 A 40 40 PRO HA H 40 4.473 4.577 -0.104 1
1 395 . 8 1 1 A 40 40 PRO CB C 40 32.203 32.774 -0.571 1
1 401 . 8 1 1 A 40 40 PRO C C 40 176.955 177.527 -0.572 1
1 405 . 8 1 1 A 41 41 SER N N 41 116.471 115.631 0.840 1
1 406 . 8 1 1 A 41 41 SER H H 41 8.474 8.574 -0.100 1
1 407 . 8 1 1 A 41 41 SER CA C 41 58.351 61.025 -2.674 1
1 408 . 8 1 1 A 41 41 SER HA H 41 4.449 4.137 0.312 1
1 409 . 8 1 1 A 41 41 SER CB C 41 64.036 63.341 0.695 1
1 411 . 8 1 1 A 41 41 SER C C 41 174.649 174.760 -0.111 1
1 413 . 8 1 1 A 42 42 GLY N N 42 110.620 108.116 2.504 1
1 414 . 8 1 1 A 42 42 GLY H H 42 8.230 7.434 0.796 1
1 415 . 8 1 1 A 42 42 GLY CA C 42 44.661 45.543 -0.882 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.410 44.914 0.496 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 4.029 4.217 -0.188 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.333 172.451 1.882 1
1 4 . 9 1 1 A 7 7 GLY HA2 H 7 4.029 4.216 -0.187 1
1 5 . 9 1 1 A 8 8 THR N N 8 113.596 118.120 -4.524 1
1 6 . 9 1 1 A 8 8 THR H H 8 8.037 8.783 -0.746 1
1 7 . 9 1 1 A 8 8 THR CA C 8 61.631 60.991 0.640 1
1 8 . 9 1 1 A 8 8 THR HA H 8 4.339 4.776 -0.437 1
1 9 . 9 1 1 A 8 8 THR CB C 8 70.027 70.069 -0.042 1
1 15 . 9 1 1 A 8 8 THR C C 8 174.408 171.706 2.702 1
1 16 . 9 1 1 A 9 9 ALA N N 9 125.919 125.657 0.262 1
1 17 . 9 1 1 A 9 9 ALA H H 9 8.319 8.359 -0.040 1
1 18 . 9 1 1 A 9 9 ALA CA C 9 52.725 51.007 1.718 1
1 19 . 9 1 1 A 9 9 ALA HA H 9 4.265 4.921 -0.656 1
1 20 . 9 1 1 A 9 9 ALA CB C 9 19.143 22.421 -3.278 1
1 24 . 9 1 1 A 9 9 ALA C C 9 177.703 177.873 -0.170 1
1 25 . 9 1 1 A 10 10 GLU N N 10 119.726 122.339 -2.613 1
1 26 . 9 1 1 A 10 10 GLU H H 10 8.258 8.944 -0.686 1
1 27 . 9 1 1 A 10 10 GLU CA C 10 57.161 59.250 -2.089 1
1 28 . 9 1 1 A 10 10 GLU HA H 10 4.130 4.031 0.099 1
1 29 . 9 1 1 A 10 10 GLU CB C 10 30.255 29.740 0.515 1
1 33 . 9 1 1 A 10 10 GLU C C 10 176.212 176.109 0.103 1
1 36 . 9 1 1 A 11 11 LYS N N 11 120.765 118.355 2.410 1
1 37 . 9 1 1 A 11 11 LYS H H 11 8.078 7.724 0.354 1
1 38 . 9 1 1 A 11 11 LYS CA C 11 53.786 53.087 0.699 1
1 39 . 9 1 1 A 11 11 LYS HA H 11 4.509 4.670 -0.161 1
1 40 . 9 1 1 A 11 11 LYS CB C 11 32.725 33.423 -0.698 1
1 48 . 9 1 1 A 11 11 LYS C C 11 174.027 176.208 -2.181 1
1 53 . 9 1 1 A 12 12 PRO CA C 12 63.494 64.425 -0.931 1
1 54 . 9 1 1 A 12 12 PRO HA H 12 4.266 4.263 0.003 1
1 55 . 9 1 1 A 12 12 PRO CB C 12 32.363 31.696 0.667 1
1 61 . 9 1 1 A 12 12 PRO C C 12 176.390 176.023 0.367 1
1 65 . 9 1 1 A 13 13 PHE N N 13 118.125 118.354 -0.229 1
1 66 . 9 1 1 A 13 13 PHE H H 13 7.951 7.579 0.372 1
1 67 . 9 1 1 A 13 13 PHE CA C 13 57.351 57.476 -0.125 1
1 68 . 9 1 1 A 13 13 PHE HA H 13 4.712 5.025 -0.313 1
1 69 . 9 1 1 A 13 13 PHE CB C 13 39.241 41.554 -2.313 1
1 81 . 9 1 1 A 13 13 PHE C C 13 174.556 174.864 -0.308 1
1 83 . 9 1 1 A 14 14 ARG N N 14 125.116 122.092 3.024 1
1 84 . 9 1 1 A 14 14 ARG H H 14 8.683 8.759 -0.076 1
1 85 . 9 1 1 A 14 14 ARG CA C 14 55.114 55.367 -0.253 1
1 86 . 9 1 1 A 14 14 ARG HA H 14 4.811 5.132 -0.321 1
1 87 . 9 1 1 A 14 14 ARG CB C 14 32.743 34.143 -1.400 1
1 93 . 9 1 1 A 14 14 ARG C C 14 175.152 174.272 0.880 1
1 97 . 9 1 1 A 15 15 CYS N N 15 126.627 124.429 2.198 1
1 98 . 9 1 1 A 15 15 CYS H H 15 8.950 9.371 -0.421 1
1 99 . 9 1 1 A 15 15 CYS CA C 15 60.705 58.318 2.387 1
1 100 . 9 1 1 A 15 15 CYS HA H 15 4.445 4.868 -0.423 1
1 101 . 9 1 1 A 15 15 CYS CB C 15 29.486 29.237 0.249 1
1 103 . 9 1 1 A 15 15 CYS C C 15 175.282 176.062 -0.780 1
1 105 . 9 1 1 A 16 16 ASP N N 16 127.711 124.845 2.866 1
1 106 . 9 1 1 A 16 16 ASP H H 16 9.030 9.057 -0.027 1
1 107 . 9 1 1 A 16 16 ASP CA C 16 55.559 54.287 1.272 1
1 108 . 9 1 1 A 16 16 ASP HA H 16 4.588 4.661 -0.073 1
1 109 . 9 1 1 A 16 16 ASP CB C 16 40.455 40.254 0.201 1
1 111 . 9 1 1 A 16 16 ASP C C 16 176.634 175.103 1.531 1
1 113 . 9 1 1 A 17 17 THR N N 17 119.919 111.867 8.052 1
1 114 . 9 1 1 A 17 17 THR H H 17 9.285 8.118 1.167 1
1 115 . 9 1 1 A 17 17 THR CA C 17 65.157 63.715 1.442 1
1 116 . 9 1 1 A 17 17 THR HA H 17 4.191 4.440 -0.249 1
1 117 . 9 1 1 A 17 17 THR CB C 17 69.826 70.573 -0.747 1
1 123 . 9 1 1 A 17 17 THR C C 17 174.022 175.746 -1.724 1
1 124 . 9 1 1 A 18 18 CYS N N 18 121.187 114.825 6.362 1
1 125 . 9 1 1 A 18 18 CYS H H 18 8.128 8.045 0.083 1
1 126 . 9 1 1 A 18 18 CYS CA C 18 58.215 58.089 0.126 1
1 127 . 9 1 1 A 18 18 CYS HA H 18 5.105 4.552 0.553 1
1 128 . 9 1 1 A 18 18 CYS CB C 18 31.519 27.336 4.183 1
1 130 . 9 1 1 A 18 18 CYS C C 18 174.129 174.656 -0.527 1
1 132 . 9 1 1 A 19 19 ASP N N 19 118.150 119.659 -1.509 1
1 133 . 9 1 1 A 19 19 ASP H H 19 8.128 8.180 -0.052 1
1 134 . 9 1 1 A 19 19 ASP CA C 19 55.559 54.948 0.611 1
1 135 . 9 1 1 A 19 19 ASP HA H 19 4.588 4.275 0.313 1
1 136 . 9 1 1 A 19 19 ASP CB C 19 40.878 39.407 1.471 1
1 138 . 9 1 1 A 19 19 ASP C C 19 175.850 174.824 1.026 1
1 140 . 9 1 1 A 20 20 LYS N N 20 121.871 118.081 3.790 1
1 141 . 9 1 1 A 20 20 LYS H H 20 8.112 7.123 0.989 1
1 142 . 9 1 1 A 20 20 LYS CA C 20 57.660 54.401 3.259 1
1 143 . 9 1 1 A 20 20 LYS HA H 20 4.099 4.894 -0.795 1
1 144 . 9 1 1 A 20 20 LYS CB C 20 34.026 35.324 -1.298 1
1 152 . 9 1 1 A 20 20 LYS C C 20 174.727 175.201 -0.474 1
1 157 . 9 1 1 A 21 21 SER N N 21 114.588 112.675 1.913 1
1 158 . 9 1 1 A 21 21 SER H H 21 7.743 8.417 -0.674 1
1 159 . 9 1 1 A 21 21 SER CA C 21 56.845 57.048 -0.203 1
1 160 . 9 1 1 A 21 21 SER HA H 21 5.224 5.387 -0.163 1
1 161 . 9 1 1 A 21 21 SER CB C 21 66.180 66.115 0.065 1
1 163 . 9 1 1 A 21 21 SER C C 21 172.795 172.485 0.310 1
1 165 . 9 1 1 A 22 22 PHE N N 22 117.192 118.729 -1.537 1
1 166 . 9 1 1 A 22 22 PHE H H 22 8.783 8.647 0.136 1
1 167 . 9 1 1 A 22 22 PHE CA C 22 57.524 56.831 0.693 1
1 168 . 9 1 1 A 22 22 PHE HA H 22 4.727 4.882 -0.155 1
1 169 . 9 1 1 A 22 22 PHE CB C 22 44.051 43.623 0.428 1
1 181 . 9 1 1 A 22 22 PHE C C 22 175.101 175.884 -0.783 1
1 183 . 9 1 1 A 23 23 ARG N N 23 120.595 120.288 0.307 1
1 184 . 9 1 1 A 23 23 ARG H H 23 9.190 9.022 0.168 1
1 185 . 9 1 1 A 23 23 ARG CA C 23 58.140 57.159 0.981 1
1 186 . 9 1 1 A 23 23 ARG HA H 23 4.541 4.724 -0.183 1
1 187 . 9 1 1 A 23 23 ARG CB C 23 31.352 31.812 -0.460 1
1 193 . 9 1 1 A 23 23 ARG C C 23 175.992 176.244 -0.252 1
1 197 . 9 1 1 A 24 24 GLN N N 24 113.055 118.858 -5.803 1
1 198 . 9 1 1 A 24 24 GLN H H 24 7.538 7.604 -0.066 1
1 199 . 9 1 1 A 24 24 GLN CA C 24 53.944 54.978 -1.034 1
1 200 . 9 1 1 A 24 24 GLN HA H 24 4.792 4.565 0.227 1
1 201 . 9 1 1 A 24 24 GLN CB C 24 31.991 30.220 1.771 1
1 208 . 9 1 1 A 24 24 GLN C C 24 175.828 175.433 0.395 1
1 211 . 9 1 1 A 25 25 ARG N N 25 126.893 126.193 0.700 1
1 212 . 9 1 1 A 25 25 ARG H H 25 8.562 8.692 -0.130 1
1 213 . 9 1 1 A 25 25 ARG CA C 25 59.274 58.306 0.968 1
1 214 . 9 1 1 A 25 25 ARG HA H 25 2.955 2.594 0.361 1
1 215 . 9 1 1 A 25 25 ARG CB C 25 29.418 29.608 -0.190 1
1 221 . 9 1 1 A 25 25 ARG C C 25 178.032 177.034 0.998 1
1 225 . 9 1 1 A 26 26 SER CA C 26 60.900 60.562 0.338 1
1 226 . 9 1 1 A 26 26 SER HA H 26 3.990 4.102 -0.112 1
1 227 . 9 1 1 A 26 26 SER CB C 26 61.349 62.847 -1.498 1
1 229 . 9 1 1 A 26 26 SER C C 26 176.508 176.490 0.018 1
1 231 . 9 1 1 A 27 27 ALA N N 27 124.883 121.750 3.133 1
1 232 . 9 1 1 A 27 27 ALA H H 27 6.637 8.012 -1.375 1
1 233 . 9 1 1 A 27 27 ALA CA C 27 54.234 54.119 0.115 1
1 234 . 9 1 1 A 27 27 ALA HA H 27 4.143 4.136 0.007 1
1 235 . 9 1 1 A 27 27 ALA CB C 27 19.102 18.791 0.311 1
1 239 . 9 1 1 A 27 27 ALA C C 27 179.857 178.788 1.069 1
1 240 . 9 1 1 A 28 28 LEU N N 28 120.865 119.819 1.046 1
1 241 . 9 1 1 A 28 28 LEU H H 28 6.980 7.299 -0.319 1
1 242 . 9 1 1 A 28 28 LEU CA C 28 57.651 56.499 1.152 1
1 243 . 9 1 1 A 28 28 LEU HA H 28 3.201 3.008 0.193 1
1 244 . 9 1 1 A 28 28 LEU CB C 28 40.193 41.893 -1.700 1
1 256 . 9 1 1 A 28 28 LEU C C 28 177.607 178.207 -0.600 1
1 258 . 9 1 1 A 29 29 ASN N N 29 117.824 117.266 0.558 1
1 259 . 9 1 1 A 29 29 ASN H H 29 8.364 8.109 0.255 1
1 260 . 9 1 1 A 29 29 ASN CA C 29 56.041 56.112 -0.071 1
1 261 . 9 1 1 A 29 29 ASN HA H 29 4.291 4.327 -0.036 1
1 262 . 9 1 1 A 29 29 ASN CB C 29 37.208 38.190 -0.982 1
1 267 . 9 1 1 A 29 29 ASN C C 29 178.174 177.261 0.913 1
1 269 . 9 1 1 A 30 30 SER N N 30 114.405 116.544 -2.139 1
1 270 . 9 1 1 A 30 30 SER H H 30 7.817 7.755 0.062 1
1 271 . 9 1 1 A 30 30 SER CA C 30 61.429 61.726 -0.297 1
1 272 . 9 1 1 A 30 30 SER HA H 30 4.211 4.187 0.024 1
1 273 . 9 1 1 A 30 30 SER CB C 30 62.626 63.193 -0.567 1
1 275 . 9 1 1 A 30 30 SER C C 30 176.722 176.232 0.490 1
1 277 . 9 1 1 A 31 31 HIS N N 31 121.832 121.720 0.112 1
1 278 . 9 1 1 A 31 31 HIS H H 31 7.642 7.323 0.319 1
1 279 . 9 1 1 A 31 31 HIS CA C 31 59.238 59.627 -0.389 1
1 280 . 9 1 1 A 31 31 HIS HA H 31 4.197 4.105 0.092 1
1 281 . 9 1 1 A 31 31 HIS CB C 31 28.523 29.332 -0.809 1
1 287 . 9 1 1 A 31 31 HIS C C 31 176.289 177.133 -0.844 1
1 289 . 9 1 1 A 32 32 ARG N N 32 115.403 118.264 -2.861 1
1 290 . 9 1 1 A 32 32 ARG H H 32 8.369 8.178 0.191 1
1 291 . 9 1 1 A 32 32 ARG CA C 32 59.823 59.152 0.671 1
1 292 . 9 1 1 A 32 32 ARG HA H 32 3.681 3.995 -0.314 1
1 293 . 9 1 1 A 32 32 ARG CB C 32 30.134 29.835 0.299 1
1 299 . 9 1 1 A 32 32 ARG C C 32 177.770 178.912 -1.142 1
1 303 . 9 1 1 A 33 33 MET N N 33 116.194 119.011 -2.817 1
1 304 . 9 1 1 A 33 33 MET H H 33 7.101 7.960 -0.859 1
1 305 . 9 1 1 A 33 33 MET CA C 33 57.585 58.181 -0.596 1
1 306 . 9 1 1 A 33 33 MET HA H 33 4.275 4.153 0.122 1
1 307 . 9 1 1 A 33 33 MET CB C 33 32.092 33.002 -0.910 1
1 315 . 9 1 1 A 33 33 MET C C 33 178.400 178.110 0.290 1
1 318 . 9 1 1 A 34 34 ILE N N 34 116.686 116.835 -0.149 1
1 319 . 9 1 1 A 34 34 ILE H H 34 7.842 7.460 0.382 1
1 320 . 9 1 1 A 34 34 ILE CA C 34 63.035 63.755 -0.720 1
1 321 . 9 1 1 A 34 34 ILE HA H 34 4.015 3.751 0.264 1
1 322 . 9 1 1 A 34 34 ILE CB C 34 37.667 37.310 0.357 1
1 334 . 9 1 1 A 34 34 ILE C C 34 177.407 176.704 0.703 1
1 336 . 9 1 1 A 35 35 HIS N N 35 117.537 120.107 -2.570 1
1 337 . 9 1 1 A 35 35 HIS H H 35 7.269 7.591 -0.322 1
1 338 . 9 1 1 A 35 35 HIS CA C 35 55.138 55.990 -0.852 1
1 339 . 9 1 1 A 35 35 HIS HA H 35 4.896 4.646 0.250 1
1 340 . 9 1 1 A 35 35 HIS CB C 35 28.592 29.075 -0.483 1
1 346 . 9 1 1 A 35 35 HIS C C 35 175.843 175.539 0.304 1
1 348 . 9 1 1 A 36 36 THR N N 36 111.953 110.127 1.826 1
1 349 . 9 1 1 A 36 36 THR H H 36 7.782 7.902 -0.120 1
1 350 . 9 1 1 A 36 36 THR CA C 36 62.695 62.645 0.050 1
1 351 . 9 1 1 A 36 36 THR HA H 36 4.338 4.531 -0.193 1
1 352 . 9 1 1 A 36 36 THR CB C 36 69.805 70.047 -0.242 1
1 358 . 9 1 1 A 36 36 THR C C 36 175.459 176.171 -0.712 1
1 359 . 9 1 1 A 37 37 GLY N N 37 110.774 110.857 -0.083 1
1 360 . 9 1 1 A 37 37 GLY H H 37 8.280 8.095 0.185 1
1 361 . 9 1 1 A 37 37 GLY CA C 37 45.403 47.188 -1.785 1
1 362 . 9 1 1 A 37 37 GLY HA3 H 37 3.973 3.715 0.258 1
1 363 . 9 1 1 A 37 37 GLY C C 37 174.049 175.316 -1.267 1
1 364 . 9 1 1 A 37 37 GLY HA2 H 37 4.038 3.708 0.330 1
1 365 . 9 1 1 A 38 38 GLU N N 38 120.547 115.557 4.990 1
1 366 . 9 1 1 A 38 38 GLU H H 38 8.047 7.939 0.108 1
1 367 . 9 1 1 A 38 38 GLU CA C 38 56.525 57.526 -1.001 1
1 368 . 9 1 1 A 38 38 GLU HA H 38 4.258 3.964 0.294 1
1 369 . 9 1 1 A 38 38 GLU CB C 38 30.671 27.582 3.089 1
1 373 . 9 1 1 A 38 38 GLU C C 38 176.086 175.392 0.694 1
1 376 . 9 1 1 A 39 39 LYS N N 39 123.461 121.062 2.399 1
1 377 . 9 1 1 A 39 39 LYS H H 39 8.380 7.831 0.549 1
1 378 . 9 1 1 A 39 39 LYS CA C 39 54.014 54.698 -0.684 1
1 379 . 9 1 1 A 39 39 LYS HA H 39 4.634 4.187 0.447 1
1 380 . 9 1 1 A 39 39 LYS CB C 39 32.650 33.616 -0.966 1
1 388 . 9 1 1 A 39 39 LYS C C 39 174.430 175.013 -0.583 1
1 393 . 9 1 1 A 40 40 PRO CA C 40 63.204 62.516 0.688 1
1 394 . 9 1 1 A 40 40 PRO HA H 40 4.473 4.595 -0.122 1
1 395 . 9 1 1 A 40 40 PRO CB C 40 32.203 32.359 -0.156 1
1 401 . 9 1 1 A 40 40 PRO C C 40 176.955 175.948 1.007 1
1 405 . 9 1 1 A 41 41 SER N N 41 116.471 116.619 -0.148 1
1 406 . 9 1 1 A 41 41 SER H H 41 8.474 8.473 0.001 1
1 407 . 9 1 1 A 41 41 SER CA C 41 58.351 56.884 1.467 1
1 408 . 9 1 1 A 41 41 SER HA H 41 4.449 5.016 -0.567 1
1 409 . 9 1 1 A 41 41 SER CB C 41 64.036 65.772 -1.736 1
1 411 . 9 1 1 A 41 41 SER C C 41 174.649 174.234 0.415 1
1 413 . 9 1 1 A 42 42 GLY N N 42 110.620 110.615 0.005 1
1 414 . 9 1 1 A 42 42 GLY H H 42 8.230 8.290 -0.060 1
1 415 . 9 1 1 A 42 42 GLY CA C 42 44.661 46.601 -1.940 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.410 45.281 0.129 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 4.029 3.985 0.044 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.333 174.425 -0.092 1
1 4 . 10 1 1 A 7 7 GLY HA2 H 7 4.029 3.983 0.046 1
1 5 . 10 1 1 A 8 8 THR N N 8 113.596 116.232 -2.636 1
1 6 . 10 1 1 A 8 8 THR H H 8 8.037 7.802 0.235 1
1 7 . 10 1 1 A 8 8 THR CA C 8 61.631 62.275 -0.644 1
1 8 . 10 1 1 A 8 8 THR HA H 8 4.339 4.345 -0.006 1
1 9 . 10 1 1 A 8 8 THR CB C 8 70.027 69.491 0.536 1
1 15 . 10 1 1 A 8 8 THR C C 8 174.408 173.962 0.446 1
1 16 . 10 1 1 A 9 9 ALA N N 9 125.919 130.616 -4.697 1
1 17 . 10 1 1 A 9 9 ALA H H 9 8.319 8.502 -0.183 1
1 18 . 10 1 1 A 9 9 ALA CA C 9 52.725 50.898 1.827 1
1 19 . 10 1 1 A 9 9 ALA HA H 9 4.265 4.816 -0.551 1
1 20 . 10 1 1 A 9 9 ALA CB C 9 19.143 21.230 -2.087 1
1 24 . 10 1 1 A 9 9 ALA C C 9 177.703 177.747 -0.044 1
1 25 . 10 1 1 A 10 10 GLU N N 10 119.726 124.169 -4.443 1
1 26 . 10 1 1 A 10 10 GLU H H 10 8.258 8.987 -0.729 1
1 27 . 10 1 1 A 10 10 GLU CA C 10 57.161 59.392 -2.231 1
1 28 . 10 1 1 A 10 10 GLU HA H 10 4.130 4.046 0.084 1
1 29 . 10 1 1 A 10 10 GLU CB C 10 30.255 29.780 0.475 1
1 33 . 10 1 1 A 10 10 GLU C C 10 176.212 175.729 0.483 1
1 36 . 10 1 1 A 11 11 LYS N N 11 120.765 117.542 3.223 1
1 37 . 10 1 1 A 11 11 LYS H H 11 8.078 7.994 0.084 1
1 38 . 10 1 1 A 11 11 LYS CA C 11 53.786 53.241 0.545 1
1 39 . 10 1 1 A 11 11 LYS HA H 11 4.509 4.790 -0.281 1
1 40 . 10 1 1 A 11 11 LYS CB C 11 32.725 33.954 -1.229 1
1 48 . 10 1 1 A 11 11 LYS C C 11 174.027 176.335 -2.308 1
1 53 . 10 1 1 A 12 12 PRO CA C 12 63.494 64.509 -1.015 1
1 54 . 10 1 1 A 12 12 PRO HA H 12 4.266 4.279 -0.013 1
1 55 . 10 1 1 A 12 12 PRO CB C 12 32.363 31.768 0.595 1
1 61 . 10 1 1 A 12 12 PRO C C 12 176.390 176.049 0.341 1
1 65 . 10 1 1 A 13 13 PHE N N 13 118.125 118.333 -0.208 1
1 66 . 10 1 1 A 13 13 PHE H H 13 7.951 7.665 0.286 1
1 67 . 10 1 1 A 13 13 PHE CA C 13 57.351 57.406 -0.055 1
1 68 . 10 1 1 A 13 13 PHE HA H 13 4.712 5.014 -0.302 1
1 69 . 10 1 1 A 13 13 PHE CB C 13 39.241 41.405 -2.164 1
1 81 . 10 1 1 A 13 13 PHE C C 13 174.556 174.887 -0.331 1
1 83 . 10 1 1 A 14 14 ARG N N 14 125.116 122.465 2.651 1
1 84 . 10 1 1 A 14 14 ARG H H 14 8.683 8.809 -0.126 1
1 85 . 10 1 1 A 14 14 ARG CA C 14 55.114 55.332 -0.218 1
1 86 . 10 1 1 A 14 14 ARG HA H 14 4.811 5.214 -0.403 1
1 87 . 10 1 1 A 14 14 ARG CB C 14 32.743 34.098 -1.355 1
1 93 . 10 1 1 A 14 14 ARG C C 14 175.152 174.210 0.942 1
1 97 . 10 1 1 A 15 15 CYS N N 15 126.627 124.479 2.148 1
1 98 . 10 1 1 A 15 15 CYS H H 15 8.950 9.383 -0.433 1
1 99 . 10 1 1 A 15 15 CYS CA C 15 60.705 58.258 2.447 1
1 100 . 10 1 1 A 15 15 CYS HA H 15 4.445 4.880 -0.435 1
1 101 . 10 1 1 A 15 15 CYS CB C 15 29.486 29.331 0.155 1
1 103 . 10 1 1 A 15 15 CYS C C 15 175.282 175.334 -0.052 1
1 105 . 10 1 1 A 16 16 ASP N N 16 127.711 128.358 -0.647 1
1 106 . 10 1 1 A 16 16 ASP H H 16 9.030 9.149 -0.119 1
1 107 . 10 1 1 A 16 16 ASP CA C 16 55.559 53.233 2.326 1
1 108 . 10 1 1 A 16 16 ASP HA H 16 4.588 4.809 -0.221 1
1 109 . 10 1 1 A 16 16 ASP CB C 16 40.455 39.907 0.548 1
1 111 . 10 1 1 A 16 16 ASP C C 16 176.634 177.022 -0.388 1
1 113 . 10 1 1 A 17 17 THR N N 17 119.919 114.310 5.609 1
1 114 . 10 1 1 A 17 17 THR H H 17 9.285 8.071 1.214 1
1 115 . 10 1 1 A 17 17 THR CA C 17 65.157 63.694 1.463 1
1 116 . 10 1 1 A 17 17 THR HA H 17 4.191 4.444 -0.253 1
1 117 . 10 1 1 A 17 17 THR CB C 17 69.826 70.558 -0.732 1
1 123 . 10 1 1 A 17 17 THR C C 17 174.022 175.709 -1.687 1
1 124 . 10 1 1 A 18 18 CYS N N 18 121.187 115.016 6.171 1
1 125 . 10 1 1 A 18 18 CYS H H 18 8.128 8.009 0.119 1
1 126 . 10 1 1 A 18 18 CYS CA C 18 58.215 58.068 0.147 1
1 127 . 10 1 1 A 18 18 CYS HA H 18 5.105 4.529 0.576 1
1 128 . 10 1 1 A 18 18 CYS CB C 18 31.519 27.474 4.045 1
1 130 . 10 1 1 A 18 18 CYS C C 18 174.129 174.088 0.041 1
1 132 . 10 1 1 A 19 19 ASP N N 19 118.150 117.235 0.915 1
1 133 . 10 1 1 A 19 19 ASP H H 19 8.128 7.689 0.439 1
1 134 . 10 1 1 A 19 19 ASP CA C 19 55.559 55.482 0.077 1
1 135 . 10 1 1 A 19 19 ASP HA H 19 4.588 4.194 0.394 1
1 136 . 10 1 1 A 19 19 ASP CB C 19 40.878 39.047 1.831 1
1 138 . 10 1 1 A 19 19 ASP C C 19 175.850 174.802 1.048 1
1 140 . 10 1 1 A 20 20 LYS N N 20 121.871 117.483 4.388 1
1 141 . 10 1 1 A 20 20 LYS H H 20 8.112 7.122 0.990 1
1 142 . 10 1 1 A 20 20 LYS CA C 20 57.660 54.393 3.267 1
1 143 . 10 1 1 A 20 20 LYS HA H 20 4.099 4.907 -0.808 1
1 144 . 10 1 1 A 20 20 LYS CB C 20 34.026 35.482 -1.456 1
1 152 . 10 1 1 A 20 20 LYS C C 20 174.727 175.151 -0.424 1
1 157 . 10 1 1 A 21 21 SER N N 21 114.588 112.906 1.682 1
1 158 . 10 1 1 A 21 21 SER H H 21 7.743 8.375 -0.632 1
1 159 . 10 1 1 A 21 21 SER CA C 21 56.845 57.200 -0.355 1
1 160 . 10 1 1 A 21 21 SER HA H 21 5.224 5.423 -0.199 1
1 161 . 10 1 1 A 21 21 SER CB C 21 66.180 66.226 -0.046 1
1 163 . 10 1 1 A 21 21 SER C C 21 172.795 172.476 0.319 1
1 165 . 10 1 1 A 22 22 PHE N N 22 117.192 118.742 -1.550 1
1 166 . 10 1 1 A 22 22 PHE H H 22 8.783 8.702 0.081 1
1 167 . 10 1 1 A 22 22 PHE CA C 22 57.524 56.894 0.630 1
1 168 . 10 1 1 A 22 22 PHE HA H 22 4.727 4.957 -0.230 1
1 169 . 10 1 1 A 22 22 PHE CB C 22 44.051 43.515 0.536 1
1 181 . 10 1 1 A 22 22 PHE C C 22 175.101 175.734 -0.633 1
1 183 . 10 1 1 A 23 23 ARG N N 23 120.595 120.157 0.438 1
1 184 . 10 1 1 A 23 23 ARG H H 23 9.190 8.880 0.310 1
1 185 . 10 1 1 A 23 23 ARG CA C 23 58.140 56.945 1.195 1
1 186 . 10 1 1 A 23 23 ARG HA H 23 4.541 4.824 -0.283 1
1 187 . 10 1 1 A 23 23 ARG CB C 23 31.352 32.269 -0.917 1
1 193 . 10 1 1 A 23 23 ARG C C 23 175.992 175.899 0.093 1
1 197 . 10 1 1 A 24 24 GLN N N 24 113.055 118.472 -5.417 1
1 198 . 10 1 1 A 24 24 GLN H H 24 7.538 7.446 0.092 1
1 199 . 10 1 1 A 24 24 GLN CA C 24 53.944 54.926 -0.982 1
1 200 . 10 1 1 A 24 24 GLN HA H 24 4.792 4.409 0.383 1
1 201 . 10 1 1 A 24 24 GLN CB C 24 31.991 29.934 2.057 1
1 208 . 10 1 1 A 24 24 GLN C C 24 175.828 175.427 0.401 1
1 211 . 10 1 1 A 25 25 ARG N N 25 126.893 126.014 0.879 1
1 212 . 10 1 1 A 25 25 ARG H H 25 8.562 8.671 -0.109 1
1 213 . 10 1 1 A 25 25 ARG CA C 25 59.274 58.677 0.597 1
1 214 . 10 1 1 A 25 25 ARG HA H 25 2.955 3.060 -0.105 1
1 215 . 10 1 1 A 25 25 ARG CB C 25 29.418 29.816 -0.398 1
1 221 . 10 1 1 A 25 25 ARG C C 25 178.032 177.208 0.824 1
1 225 . 10 1 1 A 26 26 SER CA C 26 60.900 60.625 0.275 1
1 226 . 10 1 1 A 26 26 SER HA H 26 3.990 4.149 -0.159 1
1 227 . 10 1 1 A 26 26 SER CB C 26 61.349 62.787 -1.438 1
1 229 . 10 1 1 A 26 26 SER C C 26 176.508 176.223 0.285 1
1 231 . 10 1 1 A 27 27 ALA N N 27 124.883 121.716 3.167 1
1 232 . 10 1 1 A 27 27 ALA H H 27 6.637 7.941 -1.304 1
1 233 . 10 1 1 A 27 27 ALA CA C 27 54.234 54.037 0.197 1
1 234 . 10 1 1 A 27 27 ALA HA H 27 4.143 4.142 0.001 1
1 235 . 10 1 1 A 27 27 ALA CB C 27 19.102 18.802 0.300 1
1 239 . 10 1 1 A 27 27 ALA C C 27 179.857 178.815 1.042 1
1 240 . 10 1 1 A 28 28 LEU N N 28 120.865 119.853 1.012 1
1 241 . 10 1 1 A 28 28 LEU H H 28 6.980 7.334 -0.354 1
1 242 . 10 1 1 A 28 28 LEU CA C 28 57.651 56.467 1.184 1
1 243 . 10 1 1 A 28 28 LEU HA H 28 3.201 3.115 0.086 1
1 244 . 10 1 1 A 28 28 LEU CB C 28 40.193 42.109 -1.916 1
1 256 . 10 1 1 A 28 28 LEU C C 28 177.607 178.428 -0.821 1
1 258 . 10 1 1 A 29 29 ASN N N 29 117.824 116.821 1.003 1
1 259 . 10 1 1 A 29 29 ASN H H 29 8.364 8.336 0.028 1
1 260 . 10 1 1 A 29 29 ASN CA C 29 56.041 56.153 -0.112 1
1 261 . 10 1 1 A 29 29 ASN HA H 29 4.291 4.368 -0.077 1
1 262 . 10 1 1 A 29 29 ASN CB C 29 37.208 38.220 -1.012 1
1 267 . 10 1 1 A 29 29 ASN C C 29 178.174 177.232 0.942 1
1 269 . 10 1 1 A 30 30 SER N N 30 114.405 116.615 -2.210 1
1 270 . 10 1 1 A 30 30 SER H H 30 7.817 7.699 0.118 1
1 271 . 10 1 1 A 30 30 SER CA C 30 61.429 61.762 -0.333 1
1 272 . 10 1 1 A 30 30 SER HA H 30 4.211 4.223 -0.012 1
1 273 . 10 1 1 A 30 30 SER CB C 30 62.626 63.271 -0.645 1
1 275 . 10 1 1 A 30 30 SER C C 30 176.722 176.214 0.508 1
1 277 . 10 1 1 A 31 31 HIS N N 31 121.832 121.788 0.044 1
1 278 . 10 1 1 A 31 31 HIS H H 31 7.642 7.380 0.262 1
1 279 . 10 1 1 A 31 31 HIS CA C 31 59.238 59.660 -0.422 1
1 280 . 10 1 1 A 31 31 HIS HA H 31 4.197 4.078 0.119 1
1 281 . 10 1 1 A 31 31 HIS CB C 31 28.523 29.346 -0.823 1
1 287 . 10 1 1 A 31 31 HIS C C 31 176.289 177.296 -1.007 1
1 289 . 10 1 1 A 32 32 ARG N N 32 115.403 118.549 -3.146 1
1 290 . 10 1 1 A 32 32 ARG H H 32 8.369 8.301 0.068 1
1 291 . 10 1 1 A 32 32 ARG CA C 32 59.823 59.666 0.157 1
1 292 . 10 1 1 A 32 32 ARG HA H 32 3.681 3.970 -0.289 1
1 293 . 10 1 1 A 32 32 ARG CB C 32 30.134 29.770 0.364 1
1 299 . 10 1 1 A 32 32 ARG C C 32 177.770 178.864 -1.094 1
1 303 . 10 1 1 A 33 33 MET N N 33 116.194 119.119 -2.925 1
1 304 . 10 1 1 A 33 33 MET H H 33 7.101 7.843 -0.742 1
1 305 . 10 1 1 A 33 33 MET CA C 33 57.585 58.420 -0.835 1
1 306 . 10 1 1 A 33 33 MET HA H 33 4.275 4.140 0.135 1
1 307 . 10 1 1 A 33 33 MET CB C 33 32.092 32.881 -0.789 1
1 315 . 10 1 1 A 33 33 MET C C 33 178.400 178.027 0.373 1
1 318 . 10 1 1 A 34 34 ILE N N 34 116.686 116.805 -0.119 1
1 319 . 10 1 1 A 34 34 ILE H H 34 7.842 7.794 0.048 1
1 320 . 10 1 1 A 34 34 ILE CA C 34 63.035 63.789 -0.754 1
1 321 . 10 1 1 A 34 34 ILE HA H 34 4.015 3.778 0.237 1
1 322 . 10 1 1 A 34 34 ILE CB C 34 37.667 37.300 0.367 1
1 334 . 10 1 1 A 34 34 ILE C C 34 177.407 176.844 0.563 1
1 336 . 10 1 1 A 35 35 HIS N N 35 117.537 119.457 -1.920 1
1 337 . 10 1 1 A 35 35 HIS H H 35 7.269 7.248 0.021 1
1 338 . 10 1 1 A 35 35 HIS CA C 35 55.138 54.929 0.209 1
1 339 . 10 1 1 A 35 35 HIS HA H 35 4.896 4.673 0.223 1
1 340 . 10 1 1 A 35 35 HIS CB C 35 28.592 28.219 0.373 1
1 346 . 10 1 1 A 35 35 HIS C C 35 175.843 175.468 0.375 1
1 348 . 10 1 1 A 36 36 THR N N 36 111.953 110.063 1.890 1
1 349 . 10 1 1 A 36 36 THR H H 36 7.782 7.827 -0.045 1
1 350 . 10 1 1 A 36 36 THR CA C 36 62.695 60.810 1.885 1
1 351 . 10 1 1 A 36 36 THR HA H 36 4.338 4.537 -0.199 1
1 352 . 10 1 1 A 36 36 THR CB C 36 69.805 68.984 0.821 1
1 358 . 10 1 1 A 36 36 THR C C 36 175.459 173.823 1.636 1
1 359 . 10 1 1 A 37 37 GLY N N 37 110.774 110.301 0.473 1
1 360 . 10 1 1 A 37 37 GLY H H 37 8.280 7.667 0.613 1
1 361 . 10 1 1 A 37 37 GLY CA C 37 45.403 45.205 0.198 1
1 362 . 10 1 1 A 37 37 GLY HA3 H 37 3.973 4.098 -0.125 1
1 363 . 10 1 1 A 37 37 GLY C C 37 174.049 173.686 0.363 1
1 364 . 10 1 1 A 37 37 GLY HA2 H 37 4.038 4.091 -0.053 1
1 365 . 10 1 1 A 38 38 GLU N N 38 120.547 121.328 -0.781 1
1 366 . 10 1 1 A 38 38 GLU H H 38 8.047 9.114 -1.067 1
1 367 . 10 1 1 A 38 38 GLU CA C 38 56.525 57.295 -0.770 1
1 368 . 10 1 1 A 38 38 GLU HA H 38 4.258 3.991 0.267 1
1 369 . 10 1 1 A 38 38 GLU CB C 38 30.671 28.436 2.235 1
1 373 . 10 1 1 A 38 38 GLU C C 38 176.086 175.161 0.925 1
1 376 . 10 1 1 A 39 39 LYS N N 39 123.461 115.004 8.457 1
1 377 . 10 1 1 A 39 39 LYS H H 39 8.380 7.676 0.704 1
1 378 . 10 1 1 A 39 39 LYS CA C 39 54.014 53.490 0.524 1
1 379 . 10 1 1 A 39 39 LYS HA H 39 4.634 4.880 -0.246 1
1 380 . 10 1 1 A 39 39 LYS CB C 39 32.650 34.232 -1.582 1
1 388 . 10 1 1 A 39 39 LYS C C 39 174.430 176.090 -1.660 1
1 393 . 10 1 1 A 40 40 PRO CA C 40 63.204 64.819 -1.615 1
1 394 . 10 1 1 A 40 40 PRO HA H 40 4.473 4.482 -0.009 1
1 395 . 10 1 1 A 40 40 PRO CB C 40 32.203 32.065 0.138 1
1 401 . 10 1 1 A 40 40 PRO C C 40 176.955 176.684 0.271 1
1 405 . 10 1 1 A 41 41 SER N N 41 116.471 112.786 3.685 1
1 406 . 10 1 1 A 41 41 SER H H 41 8.474 7.789 0.685 1
1 407 . 10 1 1 A 41 41 SER CA C 41 58.351 58.105 0.246 1
1 408 . 10 1 1 A 41 41 SER HA H 41 4.449 4.911 -0.462 1
1 409 . 10 1 1 A 41 41 SER CB C 41 64.036 66.429 -2.393 1
1 411 . 10 1 1 A 41 41 SER C C 41 174.649 174.000 0.649 1
1 413 . 10 1 1 A 42 42 GLY N N 42 110.620 113.066 -2.446 1
1 414 . 10 1 1 A 42 42 GLY H H 42 8.230 8.855 -0.625 1
1 415 . 10 1 1 A 42 42 GLY CA C 42 44.661 44.237 0.424 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.410 45.817 -0.407 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 4.029 4.060 -0.031 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.333 173.968 0.365 1
1 4 . 11 1 1 A 7 7 GLY HA2 H 7 4.029 4.060 -0.031 1
1 5 . 11 1 1 A 8 8 THR N N 8 113.596 110.711 2.885 1
1 6 . 11 1 1 A 8 8 THR H H 8 8.037 7.696 0.341 1
1 7 . 11 1 1 A 8 8 THR CA C 8 61.631 61.515 0.116 1
1 8 . 11 1 1 A 8 8 THR HA H 8 4.339 4.799 -0.460 1
1 9 . 11 1 1 A 8 8 THR CB C 8 70.027 72.254 -2.227 1
1 15 . 11 1 1 A 8 8 THR C C 8 174.408 172.919 1.489 1
1 16 . 11 1 1 A 9 9 ALA N N 9 125.919 127.920 -2.001 1
1 17 . 11 1 1 A 9 9 ALA H H 9 8.319 8.461 -0.142 1
1 18 . 11 1 1 A 9 9 ALA CA C 9 52.725 51.907 0.818 1
1 19 . 11 1 1 A 9 9 ALA HA H 9 4.265 4.465 -0.200 1
1 20 . 11 1 1 A 9 9 ALA CB C 9 19.143 19.453 -0.310 1
1 24 . 11 1 1 A 9 9 ALA C C 9 177.703 178.170 -0.467 1
1 25 . 11 1 1 A 10 10 GLU N N 10 119.726 124.321 -4.595 1
1 26 . 11 1 1 A 10 10 GLU H H 10 8.258 8.859 -0.601 1
1 27 . 11 1 1 A 10 10 GLU CA C 10 57.161 59.278 -2.117 1
1 28 . 11 1 1 A 10 10 GLU HA H 10 4.130 3.999 0.131 1
1 29 . 11 1 1 A 10 10 GLU CB C 10 30.255 29.803 0.452 1
1 33 . 11 1 1 A 10 10 GLU C C 10 176.212 176.072 0.140 1
1 36 . 11 1 1 A 11 11 LYS N N 11 120.765 118.222 2.543 1
1 37 . 11 1 1 A 11 11 LYS H H 11 8.078 7.920 0.158 1
1 38 . 11 1 1 A 11 11 LYS CA C 11 53.786 53.298 0.488 1
1 39 . 11 1 1 A 11 11 LYS HA H 11 4.509 4.714 -0.205 1
1 40 . 11 1 1 A 11 11 LYS CB C 11 32.725 33.231 -0.506 1
1 48 . 11 1 1 A 11 11 LYS C C 11 174.027 176.356 -2.329 1
1 53 . 11 1 1 A 12 12 PRO CA C 12 63.494 64.801 -1.307 1
1 54 . 11 1 1 A 12 12 PRO HA H 12 4.266 4.249 0.017 1
1 55 . 11 1 1 A 12 12 PRO CB C 12 32.363 31.785 0.578 1
1 61 . 11 1 1 A 12 12 PRO C C 12 176.390 176.176 0.214 1
1 65 . 11 1 1 A 13 13 PHE N N 13 118.125 118.375 -0.250 1
1 66 . 11 1 1 A 13 13 PHE H H 13 7.951 7.591 0.360 1
1 67 . 11 1 1 A 13 13 PHE CA C 13 57.351 57.970 -0.619 1
1 68 . 11 1 1 A 13 13 PHE HA H 13 4.712 4.675 0.037 1
1 69 . 11 1 1 A 13 13 PHE CB C 13 39.241 40.517 -1.276 1
1 81 . 11 1 1 A 13 13 PHE C C 13 174.556 175.005 -0.449 1
1 83 . 11 1 1 A 14 14 ARG N N 14 125.116 122.838 2.278 1
1 84 . 11 1 1 A 14 14 ARG H H 14 8.683 8.810 -0.127 1
1 85 . 11 1 1 A 14 14 ARG CA C 14 55.114 55.128 -0.014 1
1 86 . 11 1 1 A 14 14 ARG HA H 14 4.811 5.308 -0.497 1
1 87 . 11 1 1 A 14 14 ARG CB C 14 32.743 34.237 -1.494 1
1 93 . 11 1 1 A 14 14 ARG C C 14 175.152 174.198 0.954 1
1 97 . 11 1 1 A 15 15 CYS N N 15 126.627 124.446 2.181 1
1 98 . 11 1 1 A 15 15 CYS H H 15 8.950 9.385 -0.435 1
1 99 . 11 1 1 A 15 15 CYS CA C 15 60.705 58.351 2.354 1
1 100 . 11 1 1 A 15 15 CYS HA H 15 4.445 4.871 -0.426 1
1 101 . 11 1 1 A 15 15 CYS CB C 15 29.486 28.984 0.502 1
1 103 . 11 1 1 A 15 15 CYS C C 15 175.282 175.351 -0.069 1
1 105 . 11 1 1 A 16 16 ASP N N 16 127.711 128.338 -0.627 1
1 106 . 11 1 1 A 16 16 ASP H H 16 9.030 9.107 -0.077 1
1 107 . 11 1 1 A 16 16 ASP CA C 16 55.559 53.106 2.453 1
1 108 . 11 1 1 A 16 16 ASP HA H 16 4.588 4.812 -0.224 1
1 109 . 11 1 1 A 16 16 ASP CB C 16 40.455 39.992 0.463 1
1 111 . 11 1 1 A 16 16 ASP C C 16 176.634 177.023 -0.389 1
1 113 . 11 1 1 A 17 17 THR N N 17 119.919 114.173 5.746 1
1 114 . 11 1 1 A 17 17 THR H H 17 9.285 8.132 1.153 1
1 115 . 11 1 1 A 17 17 THR CA C 17 65.157 63.690 1.467 1
1 116 . 11 1 1 A 17 17 THR HA H 17 4.191 4.428 -0.237 1
1 117 . 11 1 1 A 17 17 THR CB C 17 69.826 70.366 -0.540 1
1 123 . 11 1 1 A 17 17 THR C C 17 174.022 175.764 -1.742 1
1 124 . 11 1 1 A 18 18 CYS N N 18 121.187 115.238 5.949 1
1 125 . 11 1 1 A 18 18 CYS H H 18 8.128 8.036 0.092 1
1 126 . 11 1 1 A 18 18 CYS CA C 18 58.215 58.092 0.123 1
1 127 . 11 1 1 A 18 18 CYS HA H 18 5.105 4.560 0.545 1
1 128 . 11 1 1 A 18 18 CYS CB C 18 31.519 27.930 3.589 1
1 130 . 11 1 1 A 18 18 CYS C C 18 174.129 174.104 0.025 1
1 132 . 11 1 1 A 19 19 ASP N N 19 118.150 117.328 0.822 1
1 133 . 11 1 1 A 19 19 ASP H H 19 8.128 7.741 0.387 1
1 134 . 11 1 1 A 19 19 ASP CA C 19 55.559 55.479 0.080 1
1 135 . 11 1 1 A 19 19 ASP HA H 19 4.588 4.200 0.388 1
1 136 . 11 1 1 A 19 19 ASP CB C 19 40.878 39.075 1.803 1
1 138 . 11 1 1 A 19 19 ASP C C 19 175.850 174.677 1.173 1
1 140 . 11 1 1 A 20 20 LYS N N 20 121.871 117.462 4.409 1
1 141 . 11 1 1 A 20 20 LYS H H 20 8.112 7.088 1.024 1
1 142 . 11 1 1 A 20 20 LYS CA C 20 57.660 54.400 3.260 1
1 143 . 11 1 1 A 20 20 LYS HA H 20 4.099 4.911 -0.812 1
1 144 . 11 1 1 A 20 20 LYS CB C 20 34.026 35.490 -1.464 1
1 152 . 11 1 1 A 20 20 LYS C C 20 174.727 175.239 -0.512 1
1 157 . 11 1 1 A 21 21 SER N N 21 114.588 112.791 1.797 1
1 158 . 11 1 1 A 21 21 SER H H 21 7.743 8.401 -0.658 1
1 159 . 11 1 1 A 21 21 SER CA C 21 56.845 57.100 -0.255 1
1 160 . 11 1 1 A 21 21 SER HA H 21 5.224 5.645 -0.421 1
1 161 . 11 1 1 A 21 21 SER CB C 21 66.180 66.234 -0.054 1
1 163 . 11 1 1 A 21 21 SER C C 21 172.795 172.558 0.237 1
1 165 . 11 1 1 A 22 22 PHE N N 22 117.192 118.743 -1.551 1
1 166 . 11 1 1 A 22 22 PHE H H 22 8.783 8.701 0.082 1
1 167 . 11 1 1 A 22 22 PHE CA C 22 57.524 56.523 1.001 1
1 168 . 11 1 1 A 22 22 PHE HA H 22 4.727 4.876 -0.149 1
1 169 . 11 1 1 A 22 22 PHE CB C 22 44.051 43.769 0.282 1
1 181 . 11 1 1 A 22 22 PHE C C 22 175.101 175.320 -0.219 1
1 183 . 11 1 1 A 23 23 ARG N N 23 120.595 122.574 -1.979 1
1 184 . 11 1 1 A 23 23 ARG H H 23 9.190 8.871 0.319 1
1 185 . 11 1 1 A 23 23 ARG CA C 23 58.140 57.441 0.699 1
1 186 . 11 1 1 A 23 23 ARG HA H 23 4.541 4.448 0.093 1
1 187 . 11 1 1 A 23 23 ARG CB C 23 31.352 31.346 0.006 1
1 193 . 11 1 1 A 23 23 ARG C C 23 175.992 175.588 0.404 1
1 197 . 11 1 1 A 24 24 GLN N N 24 113.055 118.430 -5.375 1
1 198 . 11 1 1 A 24 24 GLN H H 24 7.538 7.519 0.019 1
1 199 . 11 1 1 A 24 24 GLN CA C 24 53.944 54.814 -0.870 1
1 200 . 11 1 1 A 24 24 GLN HA H 24 4.792 4.392 0.400 1
1 201 . 11 1 1 A 24 24 GLN CB C 24 31.991 30.298 1.693 1
1 208 . 11 1 1 A 24 24 GLN C C 24 175.828 175.241 0.587 1
1 211 . 11 1 1 A 25 25 ARG N N 25 126.893 125.406 1.487 1
1 212 . 11 1 1 A 25 25 ARG H H 25 8.562 8.658 -0.096 1
1 213 . 11 1 1 A 25 25 ARG CA C 25 59.274 58.345 0.929 1
1 214 . 11 1 1 A 25 25 ARG HA H 25 2.955 3.231 -0.276 1
1 215 . 11 1 1 A 25 25 ARG CB C 25 29.418 29.718 -0.300 1
1 221 . 11 1 1 A 25 25 ARG C C 25 178.032 177.021 1.011 1
1 225 . 11 1 1 A 26 26 SER CA C 26 60.900 60.911 -0.011 1
1 226 . 11 1 1 A 26 26 SER HA H 26 3.990 4.132 -0.142 1
1 227 . 11 1 1 A 26 26 SER CB C 26 61.349 62.816 -1.467 1
1 229 . 11 1 1 A 26 26 SER C C 26 176.508 176.397 0.111 1
1 231 . 11 1 1 A 27 27 ALA N N 27 124.883 121.747 3.136 1
1 232 . 11 1 1 A 27 27 ALA H H 27 6.637 7.703 -1.066 1
1 233 . 11 1 1 A 27 27 ALA CA C 27 54.234 54.130 0.104 1
1 234 . 11 1 1 A 27 27 ALA HA H 27 4.143 4.166 -0.023 1
1 235 . 11 1 1 A 27 27 ALA CB C 27 19.102 18.795 0.307 1
1 239 . 11 1 1 A 27 27 ALA C C 27 179.857 178.800 1.057 1
1 240 . 11 1 1 A 28 28 LEU N N 28 120.865 119.872 0.993 1
1 241 . 11 1 1 A 28 28 LEU H H 28 6.980 7.319 -0.339 1
1 242 . 11 1 1 A 28 28 LEU CA C 28 57.651 56.376 1.275 1
1 243 . 11 1 1 A 28 28 LEU HA H 28 3.201 3.030 0.171 1
1 244 . 11 1 1 A 28 28 LEU CB C 28 40.193 42.108 -1.915 1
1 256 . 11 1 1 A 28 28 LEU C C 28 177.607 178.321 -0.714 1
1 258 . 11 1 1 A 29 29 ASN N N 29 117.824 116.834 0.990 1
1 259 . 11 1 1 A 29 29 ASN H H 29 8.364 8.396 -0.032 1
1 260 . 11 1 1 A 29 29 ASN CA C 29 56.041 56.114 -0.073 1
1 261 . 11 1 1 A 29 29 ASN HA H 29 4.291 4.392 -0.101 1
1 262 . 11 1 1 A 29 29 ASN CB C 29 37.208 38.370 -1.162 1
1 267 . 11 1 1 A 29 29 ASN C C 29 178.174 177.164 1.010 1
1 269 . 11 1 1 A 30 30 SER N N 30 114.405 115.334 -0.929 1
1 270 . 11 1 1 A 30 30 SER H H 30 7.817 7.701 0.116 1
1 271 . 11 1 1 A 30 30 SER CA C 30 61.429 61.062 0.367 1
1 272 . 11 1 1 A 30 30 SER HA H 30 4.211 4.378 -0.167 1
1 273 . 11 1 1 A 30 30 SER CB C 30 62.626 63.064 -0.438 1
1 275 . 11 1 1 A 30 30 SER C C 30 176.722 176.810 -0.088 1
1 277 . 11 1 1 A 31 31 HIS N N 31 121.832 120.853 0.979 1
1 278 . 11 1 1 A 31 31 HIS H H 31 7.642 7.380 0.262 1
1 279 . 11 1 1 A 31 31 HIS CA C 31 59.238 59.929 -0.691 1
1 280 . 11 1 1 A 31 31 HIS HA H 31 4.197 4.078 0.119 1
1 281 . 11 1 1 A 31 31 HIS CB C 31 28.523 29.251 -0.728 1
1 287 . 11 1 1 A 31 31 HIS C C 31 176.289 177.356 -1.067 1
1 289 . 11 1 1 A 32 32 ARG N N 32 115.403 118.365 -2.962 1
1 290 . 11 1 1 A 32 32 ARG H H 32 8.369 8.262 0.107 1
1 291 . 11 1 1 A 32 32 ARG CA C 32 59.823 59.737 0.086 1
1 292 . 11 1 1 A 32 32 ARG HA H 32 3.681 3.993 -0.312 1
1 293 . 11 1 1 A 32 32 ARG CB C 32 30.134 29.786 0.348 1
1 299 . 11 1 1 A 32 32 ARG C C 32 177.770 178.864 -1.094 1
1 303 . 11 1 1 A 33 33 MET N N 33 116.194 119.123 -2.929 1
1 304 . 11 1 1 A 33 33 MET H H 33 7.101 7.941 -0.840 1
1 305 . 11 1 1 A 33 33 MET CA C 33 57.585 58.429 -0.844 1
1 306 . 11 1 1 A 33 33 MET HA H 33 4.275 4.123 0.152 1
1 307 . 11 1 1 A 33 33 MET CB C 33 32.092 32.852 -0.760 1
1 315 . 11 1 1 A 33 33 MET C C 33 178.400 178.084 0.316 1
1 318 . 11 1 1 A 34 34 ILE N N 34 116.686 117.084 -0.398 1
1 319 . 11 1 1 A 34 34 ILE H H 34 7.842 7.667 0.175 1
1 320 . 11 1 1 A 34 34 ILE CA C 34 63.035 63.899 -0.864 1
1 321 . 11 1 1 A 34 34 ILE HA H 34 4.015 3.719 0.296 1
1 322 . 11 1 1 A 34 34 ILE CB C 34 37.667 37.213 0.454 1
1 334 . 11 1 1 A 34 34 ILE C C 34 177.407 177.646 -0.239 1
1 336 . 11 1 1 A 35 35 HIS N N 35 117.537 119.277 -1.740 1
1 337 . 11 1 1 A 35 35 HIS H H 35 7.269 7.218 0.051 1
1 338 . 11 1 1 A 35 35 HIS CA C 35 55.138 58.934 -3.796 1
1 339 . 11 1 1 A 35 35 HIS HA H 35 4.896 4.364 0.532 1
1 340 . 11 1 1 A 35 35 HIS CB C 35 28.592 30.704 -2.112 1
1 346 . 11 1 1 A 35 35 HIS C C 35 175.843 175.558 0.285 1
1 348 . 11 1 1 A 36 36 THR N N 36 111.953 111.203 0.750 1
1 349 . 11 1 1 A 36 36 THR H H 36 7.782 7.343 0.439 1
1 350 . 11 1 1 A 36 36 THR CA C 36 62.695 62.422 0.273 1
1 351 . 11 1 1 A 36 36 THR HA H 36 4.338 4.214 0.124 1
1 352 . 11 1 1 A 36 36 THR CB C 36 69.805 69.166 0.639 1
1 358 . 11 1 1 A 36 36 THR C C 36 175.459 174.956 0.503 1
1 359 . 11 1 1 A 37 37 GLY N N 37 110.774 109.581 1.193 1
1 360 . 11 1 1 A 37 37 GLY H H 37 8.280 8.632 -0.352 1
1 361 . 11 1 1 A 37 37 GLY CA C 37 45.403 45.279 0.124 1
1 362 . 11 1 1 A 37 37 GLY HA3 H 37 3.973 4.044 -0.071 1
1 363 . 11 1 1 A 37 37 GLY C C 37 174.049 172.791 1.258 1
1 364 . 11 1 1 A 37 37 GLY HA2 H 37 4.038 4.043 -0.005 1
1 365 . 11 1 1 A 38 38 GLU N N 38 120.547 120.903 -0.356 1
1 366 . 11 1 1 A 38 38 GLU H H 38 8.047 9.025 -0.978 1
1 367 . 11 1 1 A 38 38 GLU CA C 38 56.525 55.115 1.410 1
1 368 . 11 1 1 A 38 38 GLU HA H 38 4.258 4.959 -0.701 1
1 369 . 11 1 1 A 38 38 GLU CB C 38 30.671 33.079 -2.408 1
1 373 . 11 1 1 A 38 38 GLU C C 38 176.086 175.106 0.980 1
1 376 . 11 1 1 A 39 39 LYS N N 39 123.461 124.745 -1.284 1
1 377 . 11 1 1 A 39 39 LYS H H 39 8.380 8.423 -0.043 1
1 378 . 11 1 1 A 39 39 LYS CA C 39 54.014 54.581 -0.567 1
1 379 . 11 1 1 A 39 39 LYS HA H 39 4.634 4.498 0.136 1
1 380 . 11 1 1 A 39 39 LYS CB C 39 32.650 31.943 0.707 1
1 388 . 11 1 1 A 39 39 LYS C C 39 174.430 174.656 -0.226 1
1 393 . 11 1 1 A 40 40 PRO CA C 40 63.204 62.316 0.888 1
1 394 . 11 1 1 A 40 40 PRO HA H 40 4.473 4.575 -0.102 1
1 395 . 11 1 1 A 40 40 PRO CB C 40 32.203 32.593 -0.390 1
1 401 . 11 1 1 A 40 40 PRO C C 40 176.955 177.666 -0.711 1
1 405 . 11 1 1 A 41 41 SER N N 41 116.471 117.056 -0.585 1
1 406 . 11 1 1 A 41 41 SER H H 41 8.474 8.800 -0.326 1
1 407 . 11 1 1 A 41 41 SER CA C 41 58.351 60.832 -2.481 1
1 408 . 11 1 1 A 41 41 SER HA H 41 4.449 4.300 0.149 1
1 409 . 11 1 1 A 41 41 SER CB C 41 64.036 63.157 0.879 1
1 411 . 11 1 1 A 41 41 SER C C 41 174.649 174.642 0.007 1
1 413 . 11 1 1 A 42 42 GLY N N 42 110.620 107.172 3.448 1
1 414 . 11 1 1 A 42 42 GLY H H 42 8.230 7.359 0.871 1
1 415 . 11 1 1 A 42 42 GLY CA C 42 44.661 45.511 -0.850 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.410 44.904 0.506 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 4.029 4.074 -0.045 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.333 175.083 -0.750 1
1 4 . 12 1 1 A 7 7 GLY HA2 H 7 4.029 4.074 -0.045 1
1 5 . 12 1 1 A 8 8 THR N N 8 113.596 114.587 -0.991 1
1 6 . 12 1 1 A 8 8 THR H H 8 8.037 8.511 -0.474 1
1 7 . 12 1 1 A 8 8 THR CA C 8 61.631 65.559 -3.928 1
1 8 . 12 1 1 A 8 8 THR HA H 8 4.339 4.034 0.305 1
1 9 . 12 1 1 A 8 8 THR CB C 8 70.027 68.465 1.562 1
1 15 . 12 1 1 A 8 8 THR C C 8 174.408 174.422 -0.014 1
1 16 . 12 1 1 A 9 9 ALA N N 9 125.919 122.303 3.616 1
1 17 . 12 1 1 A 9 9 ALA H H 9 8.319 7.688 0.631 1
1 18 . 12 1 1 A 9 9 ALA CA C 9 52.725 51.832 0.893 1
1 19 . 12 1 1 A 9 9 ALA HA H 9 4.265 4.477 -0.212 1
1 20 . 12 1 1 A 9 9 ALA CB C 9 19.143 21.125 -1.982 1
1 24 . 12 1 1 A 9 9 ALA C C 9 177.703 177.440 0.263 1
1 25 . 12 1 1 A 10 10 GLU N N 10 119.726 124.287 -4.561 1
1 26 . 12 1 1 A 10 10 GLU H H 10 8.258 8.921 -0.663 1
1 27 . 12 1 1 A 10 10 GLU CA C 10 57.161 59.391 -2.230 1
1 28 . 12 1 1 A 10 10 GLU HA H 10 4.130 4.030 0.100 1
1 29 . 12 1 1 A 10 10 GLU CB C 10 30.255 29.651 0.604 1
1 33 . 12 1 1 A 10 10 GLU C C 10 176.212 175.711 0.501 1
1 36 . 12 1 1 A 11 11 LYS N N 11 120.765 117.165 3.600 1
1 37 . 12 1 1 A 11 11 LYS H H 11 8.078 7.995 0.083 1
1 38 . 12 1 1 A 11 11 LYS CA C 11 53.786 53.292 0.494 1
1 39 . 12 1 1 A 11 11 LYS HA H 11 4.509 4.794 -0.285 1
1 40 . 12 1 1 A 11 11 LYS CB C 11 32.725 34.174 -1.449 1
1 48 . 12 1 1 A 11 11 LYS C C 11 174.027 176.119 -2.092 1
1 53 . 12 1 1 A 12 12 PRO CA C 12 63.494 64.663 -1.169 1
1 54 . 12 1 1 A 12 12 PRO HA H 12 4.266 4.277 -0.011 1
1 55 . 12 1 1 A 12 12 PRO CB C 12 32.363 31.818 0.545 1
1 61 . 12 1 1 A 12 12 PRO C C 12 176.390 176.134 0.256 1
1 65 . 12 1 1 A 13 13 PHE N N 13 118.125 118.579 -0.454 1
1 66 . 12 1 1 A 13 13 PHE H H 13 7.951 7.683 0.268 1
1 67 . 12 1 1 A 13 13 PHE CA C 13 57.351 57.583 -0.232 1
1 68 . 12 1 1 A 13 13 PHE HA H 13 4.712 4.914 -0.202 1
1 69 . 12 1 1 A 13 13 PHE CB C 13 39.241 40.869 -1.628 1
1 81 . 12 1 1 A 13 13 PHE C C 13 174.556 175.133 -0.577 1
1 83 . 12 1 1 A 14 14 ARG N N 14 125.116 122.230 2.886 1
1 84 . 12 1 1 A 14 14 ARG H H 14 8.683 8.754 -0.071 1
1 85 . 12 1 1 A 14 14 ARG CA C 14 55.114 55.389 -0.275 1
1 86 . 12 1 1 A 14 14 ARG HA H 14 4.811 5.062 -0.251 1
1 87 . 12 1 1 A 14 14 ARG CB C 14 32.743 33.930 -1.187 1
1 93 . 12 1 1 A 14 14 ARG C C 14 175.152 174.223 0.929 1
1 97 . 12 1 1 A 15 15 CYS N N 15 126.627 124.501 2.126 1
1 98 . 12 1 1 A 15 15 CYS H H 15 8.950 9.495 -0.545 1
1 99 . 12 1 1 A 15 15 CYS CA C 15 60.705 58.436 2.269 1
1 100 . 12 1 1 A 15 15 CYS HA H 15 4.445 4.876 -0.431 1
1 101 . 12 1 1 A 15 15 CYS CB C 15 29.486 28.884 0.602 1
1 103 . 12 1 1 A 15 15 CYS C C 15 175.282 175.315 -0.033 1
1 105 . 12 1 1 A 16 16 ASP N N 16 127.711 128.238 -0.527 1
1 106 . 12 1 1 A 16 16 ASP H H 16 9.030 9.107 -0.077 1
1 107 . 12 1 1 A 16 16 ASP CA C 16 55.559 53.238 2.321 1
1 108 . 12 1 1 A 16 16 ASP HA H 16 4.588 4.813 -0.225 1
1 109 . 12 1 1 A 16 16 ASP CB C 16 40.455 39.871 0.584 1
1 111 . 12 1 1 A 16 16 ASP C C 16 176.634 177.059 -0.425 1
1 113 . 12 1 1 A 17 17 THR N N 17 119.919 114.560 5.359 1
1 114 . 12 1 1 A 17 17 THR H H 17 9.285 8.167 1.118 1
1 115 . 12 1 1 A 17 17 THR CA C 17 65.157 63.725 1.432 1
1 116 . 12 1 1 A 17 17 THR HA H 17 4.191 4.437 -0.246 1
1 117 . 12 1 1 A 17 17 THR CB C 17 69.826 70.501 -0.675 1
1 123 . 12 1 1 A 17 17 THR C C 17 174.022 175.701 -1.679 1
1 124 . 12 1 1 A 18 18 CYS N N 18 121.187 115.215 5.972 1
1 125 . 12 1 1 A 18 18 CYS H H 18 8.128 8.023 0.105 1
1 126 . 12 1 1 A 18 18 CYS CA C 18 58.215 58.056 0.159 1
1 127 . 12 1 1 A 18 18 CYS HA H 18 5.105 4.522 0.583 1
1 128 . 12 1 1 A 18 18 CYS CB C 18 31.519 27.597 3.922 1
1 130 . 12 1 1 A 18 18 CYS C C 18 174.129 174.138 -0.009 1
1 132 . 12 1 1 A 19 19 ASP N N 19 118.150 117.155 0.995 1
1 133 . 12 1 1 A 19 19 ASP H H 19 8.128 7.685 0.443 1
1 134 . 12 1 1 A 19 19 ASP CA C 19 55.559 55.511 0.048 1
1 135 . 12 1 1 A 19 19 ASP HA H 19 4.588 4.221 0.367 1
1 136 . 12 1 1 A 19 19 ASP CB C 19 40.878 39.072 1.806 1
1 138 . 12 1 1 A 19 19 ASP C C 19 175.850 174.856 0.994 1
1 140 . 12 1 1 A 20 20 LYS N N 20 121.871 117.766 4.105 1
1 141 . 12 1 1 A 20 20 LYS H H 20 8.112 7.806 0.306 1
1 142 . 12 1 1 A 20 20 LYS CA C 20 57.660 54.687 2.973 1
1 143 . 12 1 1 A 20 20 LYS HA H 20 4.099 4.678 -0.579 1
1 144 . 12 1 1 A 20 20 LYS CB C 20 34.026 34.559 -0.533 1
1 152 . 12 1 1 A 20 20 LYS C C 20 174.727 175.175 -0.448 1
1 157 . 12 1 1 A 21 21 SER N N 21 114.588 112.337 2.251 1
1 158 . 12 1 1 A 21 21 SER H H 21 7.743 8.344 -0.601 1
1 159 . 12 1 1 A 21 21 SER CA C 21 56.845 57.144 -0.299 1
1 160 . 12 1 1 A 21 21 SER HA H 21 5.224 5.378 -0.154 1
1 161 . 12 1 1 A 21 21 SER CB C 21 66.180 66.240 -0.060 1
1 163 . 12 1 1 A 21 21 SER C C 21 172.795 172.477 0.318 1
1 165 . 12 1 1 A 22 22 PHE N N 22 117.192 118.640 -1.448 1
1 166 . 12 1 1 A 22 22 PHE H H 22 8.783 8.646 0.137 1
1 167 . 12 1 1 A 22 22 PHE CA C 22 57.524 56.906 0.618 1
1 168 . 12 1 1 A 22 22 PHE HA H 22 4.727 4.935 -0.208 1
1 169 . 12 1 1 A 22 22 PHE CB C 22 44.051 43.653 0.398 1
1 181 . 12 1 1 A 22 22 PHE C C 22 175.101 175.750 -0.649 1
1 183 . 12 1 1 A 23 23 ARG N N 23 120.595 120.228 0.367 1
1 184 . 12 1 1 A 23 23 ARG H H 23 9.190 8.907 0.283 1
1 185 . 12 1 1 A 23 23 ARG CA C 23 58.140 56.913 1.227 1
1 186 . 12 1 1 A 23 23 ARG HA H 23 4.541 4.771 -0.230 1
1 187 . 12 1 1 A 23 23 ARG CB C 23 31.352 32.200 -0.848 1
1 193 . 12 1 1 A 23 23 ARG C C 23 175.992 175.961 0.031 1
1 197 . 12 1 1 A 24 24 GLN N N 24 113.055 118.467 -5.412 1
1 198 . 12 1 1 A 24 24 GLN H H 24 7.538 7.489 0.049 1
1 199 . 12 1 1 A 24 24 GLN CA C 24 53.944 54.897 -0.953 1
1 200 . 12 1 1 A 24 24 GLN HA H 24 4.792 4.390 0.402 1
1 201 . 12 1 1 A 24 24 GLN CB C 24 31.991 30.070 1.921 1
1 208 . 12 1 1 A 24 24 GLN C C 24 175.828 175.366 0.462 1
1 211 . 12 1 1 A 25 25 ARG N N 25 126.893 125.908 0.985 1
1 212 . 12 1 1 A 25 25 ARG H H 25 8.562 8.650 -0.088 1
1 213 . 12 1 1 A 25 25 ARG CA C 25 59.274 58.510 0.764 1
1 214 . 12 1 1 A 25 25 ARG HA H 25 2.955 3.127 -0.172 1
1 215 . 12 1 1 A 25 25 ARG CB C 25 29.418 29.746 -0.328 1
1 221 . 12 1 1 A 25 25 ARG C C 25 178.032 177.204 0.828 1
1 225 . 12 1 1 A 26 26 SER CA C 26 60.900 60.979 -0.079 1
1 226 . 12 1 1 A 26 26 SER HA H 26 3.990 4.115 -0.125 1
1 227 . 12 1 1 A 26 26 SER CB C 26 61.349 62.892 -1.543 1
1 229 . 12 1 1 A 26 26 SER C C 26 176.508 176.330 0.178 1
1 231 . 12 1 1 A 27 27 ALA N N 27 124.883 121.734 3.149 1
1 232 . 12 1 1 A 27 27 ALA H H 27 6.637 7.979 -1.342 1
1 233 . 12 1 1 A 27 27 ALA CA C 27 54.234 53.938 0.296 1
1 234 . 12 1 1 A 27 27 ALA HA H 27 4.143 4.145 -0.002 1
1 235 . 12 1 1 A 27 27 ALA CB C 27 19.102 18.789 0.313 1
1 239 . 12 1 1 A 27 27 ALA C C 27 179.857 178.951 0.906 1
1 240 . 12 1 1 A 28 28 LEU N N 28 120.865 119.925 0.940 1
1 241 . 12 1 1 A 28 28 LEU H H 28 6.980 7.359 -0.379 1
1 242 . 12 1 1 A 28 28 LEU CA C 28 57.651 56.142 1.509 1
1 243 . 12 1 1 A 28 28 LEU HA H 28 3.201 3.211 -0.010 1
1 244 . 12 1 1 A 28 28 LEU CB C 28 40.193 42.317 -2.124 1
1 256 . 12 1 1 A 28 28 LEU C C 28 177.607 178.569 -0.962 1
1 258 . 12 1 1 A 29 29 ASN N N 29 117.824 117.164 0.660 1
1 259 . 12 1 1 A 29 29 ASN H H 29 8.364 8.503 -0.139 1
1 260 . 12 1 1 A 29 29 ASN CA C 29 56.041 55.858 0.183 1
1 261 . 12 1 1 A 29 29 ASN HA H 29 4.291 4.395 -0.104 1
1 262 . 12 1 1 A 29 29 ASN CB C 29 37.208 38.218 -1.010 1
1 267 . 12 1 1 A 29 29 ASN C C 29 178.174 176.968 1.206 1
1 269 . 12 1 1 A 30 30 SER N N 30 114.405 115.172 -0.767 1
1 270 . 12 1 1 A 30 30 SER H H 30 7.817 7.634 0.183 1
1 271 . 12 1 1 A 30 30 SER CA C 30 61.429 60.915 0.514 1
1 272 . 12 1 1 A 30 30 SER HA H 30 4.211 4.405 -0.194 1
1 273 . 12 1 1 A 30 30 SER CB C 30 62.626 63.331 -0.705 1
1 275 . 12 1 1 A 30 30 SER C C 30 176.722 176.679 0.043 1
1 277 . 12 1 1 A 31 31 HIS N N 31 121.832 121.117 0.715 1
1 278 . 12 1 1 A 31 31 HIS H H 31 7.642 7.503 0.139 1
1 279 . 12 1 1 A 31 31 HIS CA C 31 59.238 59.746 -0.508 1
1 280 . 12 1 1 A 31 31 HIS HA H 31 4.197 4.092 0.105 1
1 281 . 12 1 1 A 31 31 HIS CB C 31 28.523 29.448 -0.925 1
1 287 . 12 1 1 A 31 31 HIS C C 31 176.289 177.401 -1.112 1
1 289 . 12 1 1 A 32 32 ARG N N 32 115.403 118.499 -3.096 1
1 290 . 12 1 1 A 32 32 ARG H H 32 8.369 8.202 0.167 1
1 291 . 12 1 1 A 32 32 ARG CA C 32 59.823 59.735 0.088 1
1 292 . 12 1 1 A 32 32 ARG HA H 32 3.681 3.976 -0.295 1
1 293 . 12 1 1 A 32 32 ARG CB C 32 30.134 29.769 0.365 1
1 299 . 12 1 1 A 32 32 ARG C C 32 177.770 178.885 -1.115 1
1 303 . 12 1 1 A 33 33 MET N N 33 116.194 119.120 -2.926 1
1 304 . 12 1 1 A 33 33 MET H H 33 7.101 8.089 -0.988 1
1 305 . 12 1 1 A 33 33 MET CA C 33 57.585 58.427 -0.842 1
1 306 . 12 1 1 A 33 33 MET HA H 33 4.275 4.122 0.153 1
1 307 . 12 1 1 A 33 33 MET CB C 33 32.092 32.887 -0.795 1
1 315 . 12 1 1 A 33 33 MET C C 33 178.400 178.115 0.285 1
1 318 . 12 1 1 A 34 34 ILE N N 34 116.686 116.782 -0.096 1
1 319 . 12 1 1 A 34 34 ILE H H 34 7.842 7.835 0.007 1
1 320 . 12 1 1 A 34 34 ILE CA C 34 63.035 63.750 -0.715 1
1 321 . 12 1 1 A 34 34 ILE HA H 34 4.015 3.779 0.236 1
1 322 . 12 1 1 A 34 34 ILE CB C 34 37.667 37.295 0.372 1
1 334 . 12 1 1 A 34 34 ILE C C 34 177.407 176.807 0.600 1
1 336 . 12 1 1 A 35 35 HIS N N 35 117.537 119.495 -1.958 1
1 337 . 12 1 1 A 35 35 HIS H H 35 7.269 7.192 0.077 1
1 338 . 12 1 1 A 35 35 HIS CA C 35 55.138 54.530 0.608 1
1 339 . 12 1 1 A 35 35 HIS HA H 35 4.896 4.670 0.226 1
1 340 . 12 1 1 A 35 35 HIS CB C 35 28.592 27.482 1.110 1
1 346 . 12 1 1 A 35 35 HIS C C 35 175.843 173.692 2.151 1
1 348 . 12 1 1 A 36 36 THR N N 36 111.953 109.976 1.977 1
1 349 . 12 1 1 A 36 36 THR H H 36 7.782 7.681 0.101 1
1 350 . 12 1 1 A 36 36 THR CA C 36 62.695 59.953 2.742 1
1 351 . 12 1 1 A 36 36 THR HA H 36 4.338 4.777 -0.439 1
1 352 . 12 1 1 A 36 36 THR CB C 36 69.805 71.795 -1.990 1
1 358 . 12 1 1 A 36 36 THR C C 36 175.459 172.983 2.476 1
1 359 . 12 1 1 A 37 37 GLY N N 37 110.774 107.649 3.125 1
1 360 . 12 1 1 A 37 37 GLY H H 37 8.280 8.247 0.033 1
1 361 . 12 1 1 A 37 37 GLY CA C 37 45.403 44.839 0.564 1
1 362 . 12 1 1 A 37 37 GLY HA3 H 37 3.973 4.193 -0.220 1
1 363 . 12 1 1 A 37 37 GLY C C 37 174.049 172.819 1.230 1
1 364 . 12 1 1 A 37 37 GLY HA2 H 37 4.038 4.190 -0.152 1
1 365 . 12 1 1 A 38 38 GLU N N 38 120.547 124.785 -4.238 1
1 366 . 12 1 1 A 38 38 GLU H H 38 8.047 8.500 -0.453 1
1 367 . 12 1 1 A 38 38 GLU CA C 38 56.525 56.114 0.411 1
1 368 . 12 1 1 A 38 38 GLU HA H 38 4.258 4.511 -0.253 1
1 369 . 12 1 1 A 38 38 GLU CB C 38 30.671 28.441 2.230 1
1 373 . 12 1 1 A 38 38 GLU C C 38 176.086 174.632 1.454 1
1 376 . 12 1 1 A 39 39 LYS N N 39 123.461 122.682 0.779 1
1 377 . 12 1 1 A 39 39 LYS H H 39 8.380 7.541 0.839 1
1 378 . 12 1 1 A 39 39 LYS CA C 39 54.014 52.804 1.210 1
1 379 . 12 1 1 A 39 39 LYS HA H 39 4.634 4.798 -0.164 1
1 380 . 12 1 1 A 39 39 LYS CB C 39 32.650 34.919 -2.269 1
1 388 . 12 1 1 A 39 39 LYS C C 39 174.430 174.262 0.168 1
1 393 . 12 1 1 A 40 40 PRO CA C 40 63.204 62.446 0.758 1
1 394 . 12 1 1 A 40 40 PRO HA H 40 4.473 4.739 -0.266 1
1 395 . 12 1 1 A 40 40 PRO CB C 40 32.203 29.413 2.790 1
1 401 . 12 1 1 A 40 40 PRO C C 40 176.955 175.932 1.023 1
1 405 . 12 1 1 A 41 41 SER N N 41 116.471 119.184 -2.713 1
1 406 . 12 1 1 A 41 41 SER H H 41 8.474 8.124 0.350 1
1 407 . 12 1 1 A 41 41 SER CA C 41 58.351 57.507 0.844 1
1 408 . 12 1 1 A 41 41 SER HA H 41 4.449 5.106 -0.657 1
1 409 . 12 1 1 A 41 41 SER CB C 41 64.036 68.163 -4.127 1
1 411 . 12 1 1 A 41 41 SER C C 41 174.649 173.444 1.205 1
1 413 . 12 1 1 A 42 42 GLY N N 42 110.620 109.615 1.005 1
1 414 . 12 1 1 A 42 42 GLY H H 42 8.230 8.418 -0.188 1
1 415 . 12 1 1 A 42 42 GLY CA C 42 44.661 45.502 -0.841 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.410 45.727 -0.317 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 4.029 4.048 -0.019 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.333 174.368 -0.035 1
1 4 . 13 1 1 A 7 7 GLY HA2 H 7 4.029 4.047 -0.018 1
1 5 . 13 1 1 A 8 8 THR N N 8 113.596 115.999 -2.403 1
1 6 . 13 1 1 A 8 8 THR H H 8 8.037 7.727 0.310 1
1 7 . 13 1 1 A 8 8 THR CA C 8 61.631 62.302 -0.671 1
1 8 . 13 1 1 A 8 8 THR HA H 8 4.339 4.303 0.036 1
1 9 . 13 1 1 A 8 8 THR CB C 8 70.027 69.775 0.252 1
1 15 . 13 1 1 A 8 8 THR C C 8 174.408 174.397 0.011 1
1 16 . 13 1 1 A 9 9 ALA N N 9 125.919 130.241 -4.322 1
1 17 . 13 1 1 A 9 9 ALA H H 9 8.319 8.868 -0.549 1
1 18 . 13 1 1 A 9 9 ALA CA C 9 52.725 51.810 0.915 1
1 19 . 13 1 1 A 9 9 ALA HA H 9 4.265 4.454 -0.189 1
1 20 . 13 1 1 A 9 9 ALA CB C 9 19.143 19.425 -0.282 1
1 24 . 13 1 1 A 9 9 ALA C C 9 177.703 178.095 -0.392 1
1 25 . 13 1 1 A 10 10 GLU N N 10 119.726 122.010 -2.284 1
1 26 . 13 1 1 A 10 10 GLU H H 10 8.258 8.790 -0.532 1
1 27 . 13 1 1 A 10 10 GLU CA C 10 57.161 59.269 -2.108 1
1 28 . 13 1 1 A 10 10 GLU HA H 10 4.130 4.045 0.085 1
1 29 . 13 1 1 A 10 10 GLU CB C 10 30.255 29.764 0.491 1
1 33 . 13 1 1 A 10 10 GLU C C 10 176.212 176.235 -0.023 1
1 36 . 13 1 1 A 11 11 LYS N N 11 120.765 118.369 2.396 1
1 37 . 13 1 1 A 11 11 LYS H H 11 8.078 7.825 0.253 1
1 38 . 13 1 1 A 11 11 LYS CA C 11 53.786 53.121 0.665 1
1 39 . 13 1 1 A 11 11 LYS HA H 11 4.509 4.703 -0.194 1
1 40 . 13 1 1 A 11 11 LYS CB C 11 32.725 33.422 -0.697 1
1 48 . 13 1 1 A 11 11 LYS C C 11 174.027 176.242 -2.215 1
1 53 . 13 1 1 A 12 12 PRO CA C 12 63.494 64.390 -0.896 1
1 54 . 13 1 1 A 12 12 PRO HA H 12 4.266 4.348 -0.082 1
1 55 . 13 1 1 A 12 12 PRO CB C 12 32.363 31.680 0.683 1
1 61 . 13 1 1 A 12 12 PRO C C 12 176.390 176.006 0.384 1
1 65 . 13 1 1 A 13 13 PHE N N 13 118.125 118.343 -0.218 1
1 66 . 13 1 1 A 13 13 PHE H H 13 7.951 7.671 0.280 1
1 67 . 13 1 1 A 13 13 PHE CA C 13 57.351 57.487 -0.136 1
1 68 . 13 1 1 A 13 13 PHE HA H 13 4.712 5.038 -0.326 1
1 69 . 13 1 1 A 13 13 PHE CB C 13 39.241 41.621 -2.380 1
1 81 . 13 1 1 A 13 13 PHE C C 13 174.556 175.014 -0.458 1
1 83 . 13 1 1 A 14 14 ARG N N 14 125.116 121.931 3.185 1
1 84 . 13 1 1 A 14 14 ARG H H 14 8.683 8.775 -0.092 1
1 85 . 13 1 1 A 14 14 ARG CA C 14 55.114 55.421 -0.307 1
1 86 . 13 1 1 A 14 14 ARG HA H 14 4.811 5.092 -0.281 1
1 87 . 13 1 1 A 14 14 ARG CB C 14 32.743 34.040 -1.297 1
1 93 . 13 1 1 A 14 14 ARG C C 14 175.152 174.186 0.966 1
1 97 . 13 1 1 A 15 15 CYS N N 15 126.627 124.502 2.125 1
1 98 . 13 1 1 A 15 15 CYS H H 15 8.950 9.436 -0.486 1
1 99 . 13 1 1 A 15 15 CYS CA C 15 60.705 58.451 2.254 1
1 100 . 13 1 1 A 15 15 CYS HA H 15 4.445 4.876 -0.431 1
1 101 . 13 1 1 A 15 15 CYS CB C 15 29.486 28.725 0.761 1
1 103 . 13 1 1 A 15 15 CYS C C 15 175.282 176.041 -0.759 1
1 105 . 13 1 1 A 16 16 ASP N N 16 127.711 125.170 2.541 1
1 106 . 13 1 1 A 16 16 ASP H H 16 9.030 9.045 -0.015 1
1 107 . 13 1 1 A 16 16 ASP CA C 16 55.559 54.277 1.282 1
1 108 . 13 1 1 A 16 16 ASP HA H 16 4.588 4.624 -0.036 1
1 109 . 13 1 1 A 16 16 ASP CB C 16 40.455 40.186 0.269 1
1 111 . 13 1 1 A 16 16 ASP C C 16 176.634 175.108 1.526 1
1 113 . 13 1 1 A 17 17 THR N N 17 119.919 111.509 8.410 1
1 114 . 13 1 1 A 17 17 THR H H 17 9.285 8.074 1.211 1
1 115 . 13 1 1 A 17 17 THR CA C 17 65.157 63.650 1.507 1
1 116 . 13 1 1 A 17 17 THR HA H 17 4.191 4.434 -0.243 1
1 117 . 13 1 1 A 17 17 THR CB C 17 69.826 70.527 -0.701 1
1 123 . 13 1 1 A 17 17 THR C C 17 174.022 175.665 -1.643 1
1 124 . 13 1 1 A 18 18 CYS N N 18 121.187 114.878 6.309 1
1 125 . 13 1 1 A 18 18 CYS H H 18 8.128 8.062 0.066 1
1 126 . 13 1 1 A 18 18 CYS CA C 18 58.215 58.093 0.122 1
1 127 . 13 1 1 A 18 18 CYS HA H 18 5.105 4.567 0.538 1
1 128 . 13 1 1 A 18 18 CYS CB C 18 31.519 27.605 3.914 1
1 130 . 13 1 1 A 18 18 CYS C C 18 174.129 174.020 0.109 1
1 132 . 13 1 1 A 19 19 ASP N N 19 118.150 117.288 0.862 1
1 133 . 13 1 1 A 19 19 ASP H H 19 8.128 8.120 0.008 1
1 134 . 13 1 1 A 19 19 ASP CA C 19 55.559 55.480 0.079 1
1 135 . 13 1 1 A 19 19 ASP HA H 19 4.588 4.195 0.393 1
1 136 . 13 1 1 A 19 19 ASP CB C 19 40.878 39.008 1.870 1
1 138 . 13 1 1 A 19 19 ASP C C 19 175.850 174.795 1.055 1
1 140 . 13 1 1 A 20 20 LYS N N 20 121.871 117.475 4.396 1
1 141 . 13 1 1 A 20 20 LYS H H 20 8.112 7.139 0.973 1
1 142 . 13 1 1 A 20 20 LYS CA C 20 57.660 54.399 3.261 1
1 143 . 13 1 1 A 20 20 LYS HA H 20 4.099 4.902 -0.803 1
1 144 . 13 1 1 A 20 20 LYS CB C 20 34.026 35.500 -1.474 1
1 152 . 13 1 1 A 20 20 LYS C C 20 174.727 175.139 -0.412 1
1 157 . 13 1 1 A 21 21 SER N N 21 114.588 112.999 1.589 1
1 158 . 13 1 1 A 21 21 SER H H 21 7.743 8.379 -0.636 1
1 159 . 13 1 1 A 21 21 SER CA C 21 56.845 57.055 -0.210 1
1 160 . 13 1 1 A 21 21 SER HA H 21 5.224 5.363 -0.139 1
1 161 . 13 1 1 A 21 21 SER CB C 21 66.180 66.209 -0.029 1
1 163 . 13 1 1 A 21 21 SER C C 21 172.795 172.505 0.290 1
1 165 . 13 1 1 A 22 22 PHE N N 22 117.192 118.715 -1.523 1
1 166 . 13 1 1 A 22 22 PHE H H 22 8.783 9.053 -0.270 1
1 167 . 13 1 1 A 22 22 PHE CA C 22 57.524 56.888 0.636 1
1 168 . 13 1 1 A 22 22 PHE HA H 22 4.727 4.903 -0.176 1
1 169 . 13 1 1 A 22 22 PHE CB C 22 44.051 43.657 0.394 1
1 181 . 13 1 1 A 22 22 PHE C C 22 175.101 175.902 -0.801 1
1 183 . 13 1 1 A 23 23 ARG N N 23 120.595 120.294 0.301 1
1 184 . 13 1 1 A 23 23 ARG H H 23 9.190 9.048 0.142 1
1 185 . 13 1 1 A 23 23 ARG CA C 23 58.140 57.452 0.688 1
1 186 . 13 1 1 A 23 23 ARG HA H 23 4.541 4.676 -0.135 1
1 187 . 13 1 1 A 23 23 ARG CB C 23 31.352 31.871 -0.519 1
1 193 . 13 1 1 A 23 23 ARG C C 23 175.992 176.272 -0.280 1
1 197 . 13 1 1 A 24 24 GLN N N 24 113.055 118.207 -5.152 1
1 198 . 13 1 1 A 24 24 GLN H H 24 7.538 7.640 -0.102 1
1 199 . 13 1 1 A 24 24 GLN CA C 24 53.944 54.879 -0.935 1
1 200 . 13 1 1 A 24 24 GLN HA H 24 4.792 4.561 0.231 1
1 201 . 13 1 1 A 24 24 GLN CB C 24 31.991 30.309 1.682 1
1 208 . 13 1 1 A 24 24 GLN C C 24 175.828 175.402 0.426 1
1 211 . 13 1 1 A 25 25 ARG N N 25 126.893 125.331 1.562 1
1 212 . 13 1 1 A 25 25 ARG H H 25 8.562 8.633 -0.071 1
1 213 . 13 1 1 A 25 25 ARG CA C 25 59.274 58.586 0.688 1
1 214 . 13 1 1 A 25 25 ARG HA H 25 2.955 2.710 0.245 1
1 215 . 13 1 1 A 25 25 ARG CB C 25 29.418 29.599 -0.181 1
1 221 . 13 1 1 A 25 25 ARG C C 25 178.032 177.046 0.986 1
1 225 . 13 1 1 A 26 26 SER CA C 26 60.900 60.997 -0.097 1
1 226 . 13 1 1 A 26 26 SER HA H 26 3.990 4.057 -0.067 1
1 227 . 13 1 1 A 26 26 SER CB C 26 61.349 62.934 -1.585 1
1 229 . 13 1 1 A 26 26 SER C C 26 176.508 176.383 0.125 1
1 231 . 13 1 1 A 27 27 ALA N N 27 124.883 121.735 3.148 1
1 232 . 13 1 1 A 27 27 ALA H H 27 6.637 7.910 -1.273 1
1 233 . 13 1 1 A 27 27 ALA CA C 27 54.234 54.162 0.072 1
1 234 . 13 1 1 A 27 27 ALA HA H 27 4.143 4.149 -0.006 1
1 235 . 13 1 1 A 27 27 ALA CB C 27 19.102 18.846 0.256 1
1 239 . 13 1 1 A 27 27 ALA C C 27 179.857 178.996 0.861 1
1 240 . 13 1 1 A 28 28 LEU N N 28 120.865 119.618 1.247 1
1 241 . 13 1 1 A 28 28 LEU H H 28 6.980 7.206 -0.226 1
1 242 . 13 1 1 A 28 28 LEU CA C 28 57.651 56.245 1.406 1
1 243 . 13 1 1 A 28 28 LEU HA H 28 3.201 2.996 0.205 1
1 244 . 13 1 1 A 28 28 LEU CB C 28 40.193 42.084 -1.891 1
1 256 . 13 1 1 A 28 28 LEU C C 28 177.607 178.383 -0.776 1
1 258 . 13 1 1 A 29 29 ASN N N 29 117.824 116.826 0.998 1
1 259 . 13 1 1 A 29 29 ASN H H 29 8.364 8.657 -0.293 1
1 260 . 13 1 1 A 29 29 ASN CA C 29 56.041 56.058 -0.017 1
1 261 . 13 1 1 A 29 29 ASN HA H 29 4.291 4.368 -0.077 1
1 262 . 13 1 1 A 29 29 ASN CB C 29 37.208 38.338 -1.130 1
1 267 . 13 1 1 A 29 29 ASN C C 29 178.174 177.155 1.019 1
1 269 . 13 1 1 A 30 30 SER N N 30 114.405 115.312 -0.907 1
1 270 . 13 1 1 A 30 30 SER H H 30 7.817 7.613 0.204 1
1 271 . 13 1 1 A 30 30 SER CA C 30 61.429 61.063 0.366 1
1 272 . 13 1 1 A 30 30 SER HA H 30 4.211 4.325 -0.114 1
1 273 . 13 1 1 A 30 30 SER CB C 30 62.626 63.039 -0.413 1
1 275 . 13 1 1 A 30 30 SER C C 30 176.722 176.809 -0.087 1
1 277 . 13 1 1 A 31 31 HIS N N 31 121.832 120.832 1.000 1
1 278 . 13 1 1 A 31 31 HIS H H 31 7.642 7.376 0.266 1
1 279 . 13 1 1 A 31 31 HIS CA C 31 59.238 59.913 -0.675 1
1 280 . 13 1 1 A 31 31 HIS HA H 31 4.197 4.083 0.114 1
1 281 . 13 1 1 A 31 31 HIS CB C 31 28.523 29.347 -0.824 1
1 287 . 13 1 1 A 31 31 HIS C C 31 176.289 177.342 -1.053 1
1 289 . 13 1 1 A 32 32 ARG N N 32 115.403 118.400 -2.997 1
1 290 . 13 1 1 A 32 32 ARG H H 32 8.369 8.225 0.144 1
1 291 . 13 1 1 A 32 32 ARG CA C 32 59.823 59.755 0.068 1
1 292 . 13 1 1 A 32 32 ARG HA H 32 3.681 3.998 -0.317 1
1 293 . 13 1 1 A 32 32 ARG CB C 32 30.134 29.805 0.329 1
1 299 . 13 1 1 A 32 32 ARG C C 32 177.770 178.859 -1.089 1
1 303 . 13 1 1 A 33 33 MET N N 33 116.194 119.120 -2.926 1
1 304 . 13 1 1 A 33 33 MET H H 33 7.101 7.862 -0.761 1
1 305 . 13 1 1 A 33 33 MET CA C 33 57.585 58.571 -0.986 1
1 306 . 13 1 1 A 33 33 MET HA H 33 4.275 4.095 0.180 1
1 307 . 13 1 1 A 33 33 MET CB C 33 32.092 32.899 -0.807 1
1 315 . 13 1 1 A 33 33 MET C C 33 178.400 178.081 0.319 1
1 318 . 13 1 1 A 34 34 ILE N N 34 116.686 116.747 -0.061 1
1 319 . 13 1 1 A 34 34 ILE H H 34 7.842 7.456 0.386 1
1 320 . 13 1 1 A 34 34 ILE CA C 34 63.035 63.761 -0.726 1
1 321 . 13 1 1 A 34 34 ILE HA H 34 4.015 3.762 0.253 1
1 322 . 13 1 1 A 34 34 ILE CB C 34 37.667 37.305 0.362 1
1 334 . 13 1 1 A 34 34 ILE C C 34 177.407 176.798 0.609 1
1 336 . 13 1 1 A 35 35 HIS N N 35 117.537 119.145 -1.608 1
1 337 . 13 1 1 A 35 35 HIS H H 35 7.269 7.223 0.046 1
1 338 . 13 1 1 A 35 35 HIS CA C 35 55.138 54.431 0.707 1
1 339 . 13 1 1 A 35 35 HIS HA H 35 4.896 4.644 0.252 1
1 340 . 13 1 1 A 35 35 HIS CB C 35 28.592 27.579 1.013 1
1 346 . 13 1 1 A 35 35 HIS C C 35 175.843 173.718 2.125 1
1 348 . 13 1 1 A 36 36 THR N N 36 111.953 110.275 1.678 1
1 349 . 13 1 1 A 36 36 THR H H 36 7.782 7.733 0.049 1
1 350 . 13 1 1 A 36 36 THR CA C 36 62.695 60.018 2.677 1
1 351 . 13 1 1 A 36 36 THR HA H 36 4.338 4.975 -0.637 1
1 352 . 13 1 1 A 36 36 THR CB C 36 69.805 71.565 -1.760 1
1 358 . 13 1 1 A 36 36 THR C C 36 175.459 173.984 1.475 1
1 359 . 13 1 1 A 37 37 GLY N N 37 110.774 112.114 -1.340 1
1 360 . 13 1 1 A 37 37 GLY H H 37 8.280 8.427 -0.147 1
1 361 . 13 1 1 A 37 37 GLY CA C 37 45.403 46.038 -0.635 1
1 362 . 13 1 1 A 37 37 GLY HA3 H 37 3.973 3.911 0.062 1
1 363 . 13 1 1 A 37 37 GLY C C 37 174.049 173.745 0.304 1
1 364 . 13 1 1 A 37 37 GLY HA2 H 37 4.038 3.909 0.129 1
1 365 . 13 1 1 A 38 38 GLU N N 38 120.547 125.923 -5.376 1
1 366 . 13 1 1 A 38 38 GLU H H 38 8.047 8.434 -0.387 1
1 367 . 13 1 1 A 38 38 GLU CA C 38 56.525 55.696 0.829 1
1 368 . 13 1 1 A 38 38 GLU HA H 38 4.258 4.610 -0.352 1
1 369 . 13 1 1 A 38 38 GLU CB C 38 30.671 30.693 -0.022 1
1 373 . 13 1 1 A 38 38 GLU C C 38 176.086 175.749 0.337 1
1 376 . 13 1 1 A 39 39 LYS N N 39 123.461 124.332 -0.871 1
1 377 . 13 1 1 A 39 39 LYS H H 39 8.380 8.992 -0.612 1
1 378 . 13 1 1 A 39 39 LYS CA C 39 54.014 54.119 -0.105 1
1 379 . 13 1 1 A 39 39 LYS HA H 39 4.634 5.013 -0.379 1
1 380 . 13 1 1 A 39 39 LYS CB C 39 32.650 34.129 -1.479 1
1 388 . 13 1 1 A 39 39 LYS C C 39 174.430 174.730 -0.300 1
1 393 . 13 1 1 A 40 40 PRO CA C 40 63.204 62.774 0.430 1
1 394 . 13 1 1 A 40 40 PRO HA H 40 4.473 4.543 -0.070 1
1 395 . 13 1 1 A 40 40 PRO CB C 40 32.203 32.131 0.072 1
1 401 . 13 1 1 A 40 40 PRO C C 40 176.955 177.164 -0.209 1
1 405 . 13 1 1 A 41 41 SER N N 41 116.471 114.807 1.664 1
1 406 . 13 1 1 A 41 41 SER H H 41 8.474 8.408 0.066 1
1 407 . 13 1 1 A 41 41 SER CA C 41 58.351 57.191 1.160 1
1 408 . 13 1 1 A 41 41 SER HA H 41 4.449 4.593 -0.144 1
1 409 . 13 1 1 A 41 41 SER CB C 41 64.036 63.441 0.595 1
1 411 . 13 1 1 A 41 41 SER C C 41 174.649 174.666 -0.017 1
1 413 . 13 1 1 A 42 42 GLY N N 42 110.620 109.832 0.788 1
1 414 . 13 1 1 A 42 42 GLY H H 42 8.230 8.704 -0.474 1
1 415 . 13 1 1 A 42 42 GLY CA C 42 44.661 44.119 0.542 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.410 45.586 -0.176 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 4.029 3.926 0.103 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.333 173.771 0.562 1
1 4 . 14 1 1 A 7 7 GLY HA2 H 7 4.029 3.925 0.104 1
1 5 . 14 1 1 A 8 8 THR N N 8 113.596 116.592 -2.996 1
1 6 . 14 1 1 A 8 8 THR H H 8 8.037 8.564 -0.527 1
1 7 . 14 1 1 A 8 8 THR CA C 8 61.631 61.410 0.221 1
1 8 . 14 1 1 A 8 8 THR HA H 8 4.339 4.484 -0.145 1
1 9 . 14 1 1 A 8 8 THR CB C 8 70.027 70.620 -0.593 1
1 15 . 14 1 1 A 8 8 THR C C 8 174.408 174.835 -0.427 1
1 16 . 14 1 1 A 9 9 ALA N N 9 125.919 125.177 0.742 1
1 17 . 14 1 1 A 9 9 ALA H H 9 8.319 8.318 0.001 1
1 18 . 14 1 1 A 9 9 ALA CA C 9 52.725 53.249 -0.524 1
1 19 . 14 1 1 A 9 9 ALA HA H 9 4.265 4.077 0.188 1
1 20 . 14 1 1 A 9 9 ALA CB C 9 19.143 19.855 -0.712 1
1 24 . 14 1 1 A 9 9 ALA C C 9 177.703 178.822 -1.119 1
1 25 . 14 1 1 A 10 10 GLU N N 10 119.726 123.757 -4.031 1
1 26 . 14 1 1 A 10 10 GLU H H 10 8.258 8.858 -0.600 1
1 27 . 14 1 1 A 10 10 GLU CA C 10 57.161 59.267 -2.106 1
1 28 . 14 1 1 A 10 10 GLU HA H 10 4.130 4.042 0.088 1
1 29 . 14 1 1 A 10 10 GLU CB C 10 30.255 29.720 0.535 1
1 33 . 14 1 1 A 10 10 GLU C C 10 176.212 176.058 0.154 1
1 36 . 14 1 1 A 11 11 LYS N N 11 120.765 117.907 2.858 1
1 37 . 14 1 1 A 11 11 LYS H H 11 8.078 7.977 0.101 1
1 38 . 14 1 1 A 11 11 LYS CA C 11 53.786 53.351 0.435 1
1 39 . 14 1 1 A 11 11 LYS HA H 11 4.509 4.726 -0.217 1
1 40 . 14 1 1 A 11 11 LYS CB C 11 32.725 33.871 -1.146 1
1 48 . 14 1 1 A 11 11 LYS C C 11 174.027 176.423 -2.396 1
1 53 . 14 1 1 A 12 12 PRO CA C 12 63.494 64.577 -1.083 1
1 54 . 14 1 1 A 12 12 PRO HA H 12 4.266 4.291 -0.025 1
1 55 . 14 1 1 A 12 12 PRO CB C 12 32.363 31.821 0.542 1
1 61 . 14 1 1 A 12 12 PRO C C 12 176.390 176.086 0.304 1
1 65 . 14 1 1 A 13 13 PHE N N 13 118.125 118.535 -0.410 1
1 66 . 14 1 1 A 13 13 PHE H H 13 7.951 7.711 0.240 1
1 67 . 14 1 1 A 13 13 PHE CA C 13 57.351 57.456 -0.105 1
1 68 . 14 1 1 A 13 13 PHE HA H 13 4.712 4.974 -0.262 1
1 69 . 14 1 1 A 13 13 PHE CB C 13 39.241 41.279 -2.038 1
1 81 . 14 1 1 A 13 13 PHE C C 13 174.556 174.989 -0.433 1
1 83 . 14 1 1 A 14 14 ARG N N 14 125.116 121.854 3.262 1
1 84 . 14 1 1 A 14 14 ARG H H 14 8.683 8.706 -0.023 1
1 85 . 14 1 1 A 14 14 ARG CA C 14 55.114 55.391 -0.277 1
1 86 . 14 1 1 A 14 14 ARG HA H 14 4.811 5.073 -0.262 1
1 87 . 14 1 1 A 14 14 ARG CB C 14 32.743 34.049 -1.306 1
1 93 . 14 1 1 A 14 14 ARG C C 14 175.152 174.044 1.108 1
1 97 . 14 1 1 A 15 15 CYS N N 15 126.627 124.472 2.155 1
1 98 . 14 1 1 A 15 15 CYS H H 15 8.950 9.397 -0.447 1
1 99 . 14 1 1 A 15 15 CYS CA C 15 60.705 58.205 2.500 1
1 100 . 14 1 1 A 15 15 CYS HA H 15 4.445 4.865 -0.420 1
1 101 . 14 1 1 A 15 15 CYS CB C 15 29.486 28.691 0.795 1
1 103 . 14 1 1 A 15 15 CYS C C 15 175.282 175.677 -0.395 1
1 105 . 14 1 1 A 16 16 ASP N N 16 127.711 128.288 -0.577 1
1 106 . 14 1 1 A 16 16 ASP H H 16 9.030 9.159 -0.129 1
1 107 . 14 1 1 A 16 16 ASP CA C 16 55.559 54.038 1.521 1
1 108 . 14 1 1 A 16 16 ASP HA H 16 4.588 4.898 -0.310 1
1 109 . 14 1 1 A 16 16 ASP CB C 16 40.455 40.164 0.291 1
1 111 . 14 1 1 A 16 16 ASP C C 16 176.634 176.692 -0.058 1
1 113 . 14 1 1 A 17 17 THR N N 17 119.919 113.065 6.854 1
1 114 . 14 1 1 A 17 17 THR H H 17 9.285 8.142 1.143 1
1 115 . 14 1 1 A 17 17 THR CA C 17 65.157 63.521 1.636 1
1 116 . 14 1 1 A 17 17 THR HA H 17 4.191 4.459 -0.268 1
1 117 . 14 1 1 A 17 17 THR CB C 17 69.826 70.555 -0.729 1
1 123 . 14 1 1 A 17 17 THR C C 17 174.022 175.780 -1.758 1
1 124 . 14 1 1 A 18 18 CYS N N 18 121.187 115.254 5.933 1
1 125 . 14 1 1 A 18 18 CYS H H 18 8.128 8.017 0.111 1
1 126 . 14 1 1 A 18 18 CYS CA C 18 58.215 57.998 0.217 1
1 127 . 14 1 1 A 18 18 CYS HA H 18 5.105 4.550 0.555 1
1 128 . 14 1 1 A 18 18 CYS CB C 18 31.519 28.001 3.518 1
1 130 . 14 1 1 A 18 18 CYS C C 18 174.129 174.556 -0.427 1
1 132 . 14 1 1 A 19 19 ASP N N 19 118.150 119.799 -1.649 1
1 133 . 14 1 1 A 19 19 ASP H H 19 8.128 7.807 0.321 1
1 134 . 14 1 1 A 19 19 ASP CA C 19 55.559 54.967 0.592 1
1 135 . 14 1 1 A 19 19 ASP HA H 19 4.588 4.257 0.331 1
1 136 . 14 1 1 A 19 19 ASP CB C 19 40.878 39.545 1.333 1
1 138 . 14 1 1 A 19 19 ASP C C 19 175.850 174.803 1.047 1
1 140 . 14 1 1 A 20 20 LYS N N 20 121.871 117.983 3.888 1
1 141 . 14 1 1 A 20 20 LYS H H 20 8.112 7.144 0.968 1
1 142 . 14 1 1 A 20 20 LYS CA C 20 57.660 54.463 3.197 1
1 143 . 14 1 1 A 20 20 LYS HA H 20 4.099 4.944 -0.845 1
1 144 . 14 1 1 A 20 20 LYS CB C 20 34.026 35.648 -1.622 1
1 152 . 14 1 1 A 20 20 LYS C C 20 174.727 175.157 -0.430 1
1 157 . 14 1 1 A 21 21 SER N N 21 114.588 112.860 1.728 1
1 158 . 14 1 1 A 21 21 SER H H 21 7.743 8.392 -0.649 1
1 159 . 14 1 1 A 21 21 SER CA C 21 56.845 57.237 -0.392 1
1 160 . 14 1 1 A 21 21 SER HA H 21 5.224 5.403 -0.179 1
1 161 . 14 1 1 A 21 21 SER CB C 21 66.180 66.165 0.015 1
1 163 . 14 1 1 A 21 21 SER C C 21 172.795 172.490 0.305 1
1 165 . 14 1 1 A 22 22 PHE N N 22 117.192 118.736 -1.544 1
1 166 . 14 1 1 A 22 22 PHE H H 22 8.783 9.061 -0.278 1
1 167 . 14 1 1 A 22 22 PHE CA C 22 57.524 56.883 0.641 1
1 168 . 14 1 1 A 22 22 PHE HA H 22 4.727 4.925 -0.198 1
1 169 . 14 1 1 A 22 22 PHE CB C 22 44.051 43.638 0.413 1
1 181 . 14 1 1 A 22 22 PHE C C 22 175.101 175.867 -0.766 1
1 183 . 14 1 1 A 23 23 ARG N N 23 120.595 120.238 0.357 1
1 184 . 14 1 1 A 23 23 ARG H H 23 9.190 8.970 0.220 1
1 185 . 14 1 1 A 23 23 ARG CA C 23 58.140 57.044 1.096 1
1 186 . 14 1 1 A 23 23 ARG HA H 23 4.541 4.728 -0.187 1
1 187 . 14 1 1 A 23 23 ARG CB C 23 31.352 31.948 -0.596 1
1 193 . 14 1 1 A 23 23 ARG C C 23 175.992 176.157 -0.165 1
1 197 . 14 1 1 A 24 24 GLN N N 24 113.055 118.422 -5.367 1
1 198 . 14 1 1 A 24 24 GLN H H 24 7.538 7.512 0.026 1
1 199 . 14 1 1 A 24 24 GLN CA C 24 53.944 54.854 -0.910 1
1 200 . 14 1 1 A 24 24 GLN HA H 24 4.792 4.499 0.293 1
1 201 . 14 1 1 A 24 24 GLN CB C 24 31.991 30.332 1.659 1
1 208 . 14 1 1 A 24 24 GLN C C 24 175.828 175.296 0.532 1
1 211 . 14 1 1 A 25 25 ARG N N 25 126.893 125.530 1.363 1
1 212 . 14 1 1 A 25 25 ARG H H 25 8.562 8.536 0.026 1
1 213 . 14 1 1 A 25 25 ARG CA C 25 59.274 58.475 0.799 1
1 214 . 14 1 1 A 25 25 ARG HA H 25 2.955 2.853 0.102 1
1 215 . 14 1 1 A 25 25 ARG CB C 25 29.418 29.652 -0.234 1
1 221 . 14 1 1 A 25 25 ARG C C 25 178.032 177.063 0.969 1
1 225 . 14 1 1 A 26 26 SER CA C 26 60.900 61.050 -0.150 1
1 226 . 14 1 1 A 26 26 SER HA H 26 3.990 4.094 -0.104 1
1 227 . 14 1 1 A 26 26 SER CB C 26 61.349 62.911 -1.562 1
1 229 . 14 1 1 A 26 26 SER C C 26 176.508 176.541 -0.033 1
1 231 . 14 1 1 A 27 27 ALA N N 27 124.883 121.986 2.897 1
1 232 . 14 1 1 A 27 27 ALA H H 27 6.637 7.992 -1.355 1
1 233 . 14 1 1 A 27 27 ALA CA C 27 54.234 54.179 0.055 1
1 234 . 14 1 1 A 27 27 ALA HA H 27 4.143 4.037 0.106 1
1 235 . 14 1 1 A 27 27 ALA CB C 27 19.102 18.695 0.407 1
1 239 . 14 1 1 A 27 27 ALA C C 27 179.857 178.930 0.927 1
1 240 . 14 1 1 A 28 28 LEU N N 28 120.865 119.558 1.307 1
1 241 . 14 1 1 A 28 28 LEU H H 28 6.980 7.283 -0.303 1
1 242 . 14 1 1 A 28 28 LEU CA C 28 57.651 56.320 1.331 1
1 243 . 14 1 1 A 28 28 LEU HA H 28 3.201 3.144 0.057 1
1 244 . 14 1 1 A 28 28 LEU CB C 28 40.193 42.129 -1.936 1
1 256 . 14 1 1 A 28 28 LEU C C 28 177.607 178.295 -0.688 1
1 258 . 14 1 1 A 29 29 ASN N N 29 117.824 117.077 0.747 1
1 259 . 14 1 1 A 29 29 ASN H H 29 8.364 8.532 -0.168 1
1 260 . 14 1 1 A 29 29 ASN CA C 29 56.041 56.015 0.026 1
1 261 . 14 1 1 A 29 29 ASN HA H 29 4.291 4.379 -0.088 1
1 262 . 14 1 1 A 29 29 ASN CB C 29 37.208 38.307 -1.099 1
1 267 . 14 1 1 A 29 29 ASN C C 29 178.174 177.208 0.966 1
1 269 . 14 1 1 A 30 30 SER N N 30 114.405 115.433 -1.028 1
1 270 . 14 1 1 A 30 30 SER H H 30 7.817 7.614 0.203 1
1 271 . 14 1 1 A 30 30 SER CA C 30 61.429 61.057 0.372 1
1 272 . 14 1 1 A 30 30 SER HA H 30 4.211 4.368 -0.157 1
1 273 . 14 1 1 A 30 30 SER CB C 30 62.626 63.062 -0.436 1
1 275 . 14 1 1 A 30 30 SER C C 30 176.722 176.820 -0.098 1
1 277 . 14 1 1 A 31 31 HIS N N 31 121.832 120.999 0.833 1
1 278 . 14 1 1 A 31 31 HIS H H 31 7.642 7.417 0.225 1
1 279 . 14 1 1 A 31 31 HIS CA C 31 59.238 59.702 -0.464 1
1 280 . 14 1 1 A 31 31 HIS HA H 31 4.197 4.090 0.107 1
1 281 . 14 1 1 A 31 31 HIS CB C 31 28.523 29.090 -0.567 1
1 287 . 14 1 1 A 31 31 HIS C C 31 176.289 177.279 -0.990 1
1 289 . 14 1 1 A 32 32 ARG N N 32 115.403 118.284 -2.881 1
1 290 . 14 1 1 A 32 32 ARG H H 32 8.369 8.295 0.074 1
1 291 . 14 1 1 A 32 32 ARG CA C 32 59.823 59.088 0.735 1
1 292 . 14 1 1 A 32 32 ARG HA H 32 3.681 3.994 -0.313 1
1 293 . 14 1 1 A 32 32 ARG CB C 32 30.134 29.928 0.206 1
1 299 . 14 1 1 A 32 32 ARG C C 32 177.770 178.849 -1.079 1
1 303 . 14 1 1 A 33 33 MET N N 33 116.194 118.992 -2.798 1
1 304 . 14 1 1 A 33 33 MET H H 33 7.101 8.070 -0.969 1
1 305 . 14 1 1 A 33 33 MET CA C 33 57.585 58.201 -0.616 1
1 306 . 14 1 1 A 33 33 MET HA H 33 4.275 4.152 0.123 1
1 307 . 14 1 1 A 33 33 MET CB C 33 32.092 33.065 -0.973 1
1 315 . 14 1 1 A 33 33 MET C C 33 178.400 178.104 0.296 1
1 318 . 14 1 1 A 34 34 ILE N N 34 116.686 117.420 -0.734 1
1 319 . 14 1 1 A 34 34 ILE H H 34 7.842 7.413 0.429 1
1 320 . 14 1 1 A 34 34 ILE CA C 34 63.035 64.086 -1.051 1
1 321 . 14 1 1 A 34 34 ILE HA H 34 4.015 3.741 0.274 1
1 322 . 14 1 1 A 34 34 ILE CB C 34 37.667 37.267 0.400 1
1 334 . 14 1 1 A 34 34 ILE C C 34 177.407 177.583 -0.176 1
1 336 . 14 1 1 A 35 35 HIS N N 35 117.537 119.461 -1.924 1
1 337 . 14 1 1 A 35 35 HIS H H 35 7.269 7.425 -0.156 1
1 338 . 14 1 1 A 35 35 HIS CA C 35 55.138 58.955 -3.817 1
1 339 . 14 1 1 A 35 35 HIS HA H 35 4.896 4.372 0.524 1
1 340 . 14 1 1 A 35 35 HIS CB C 35 28.592 31.046 -2.454 1
1 346 . 14 1 1 A 35 35 HIS C C 35 175.843 175.574 0.269 1
1 348 . 14 1 1 A 36 36 THR N N 36 111.953 111.270 0.683 1
1 349 . 14 1 1 A 36 36 THR H H 36 7.782 7.243 0.539 1
1 350 . 14 1 1 A 36 36 THR CA C 36 62.695 62.286 0.409 1
1 351 . 14 1 1 A 36 36 THR HA H 36 4.338 4.188 0.150 1
1 352 . 14 1 1 A 36 36 THR CB C 36 69.805 69.141 0.664 1
1 358 . 14 1 1 A 36 36 THR C C 36 175.459 175.278 0.181 1
1 359 . 14 1 1 A 37 37 GLY N N 37 110.774 111.156 -0.382 1
1 360 . 14 1 1 A 37 37 GLY H H 37 8.280 8.379 -0.099 1
1 361 . 14 1 1 A 37 37 GLY CA C 37 45.403 44.390 1.013 1
1 362 . 14 1 1 A 37 37 GLY HA3 H 37 3.973 4.153 -0.180 1
1 363 . 14 1 1 A 37 37 GLY C C 37 174.049 173.261 0.788 1
1 364 . 14 1 1 A 37 37 GLY HA2 H 37 4.038 4.147 -0.109 1
1 365 . 14 1 1 A 38 38 GLU N N 38 120.547 118.973 1.574 1
1 366 . 14 1 1 A 38 38 GLU H H 38 8.047 8.293 -0.246 1
1 367 . 14 1 1 A 38 38 GLU CA C 38 56.525 55.476 1.049 1
1 368 . 14 1 1 A 38 38 GLU HA H 38 4.258 4.339 -0.081 1
1 369 . 14 1 1 A 38 38 GLU CB C 38 30.671 30.252 0.419 1
1 373 . 14 1 1 A 38 38 GLU C C 38 176.086 176.559 -0.473 1
1 376 . 14 1 1 A 39 39 LYS N N 39 123.461 119.246 4.215 1
1 377 . 14 1 1 A 39 39 LYS H H 39 8.380 8.926 -0.546 1
1 378 . 14 1 1 A 39 39 LYS CA C 39 54.014 57.116 -3.102 1
1 379 . 14 1 1 A 39 39 LYS HA H 39 4.634 4.045 0.589 1
1 380 . 14 1 1 A 39 39 LYS CB C 39 32.650 30.153 2.497 1
1 388 . 14 1 1 A 39 39 LYS C C 39 174.430 176.209 -1.779 1
1 393 . 14 1 1 A 40 40 PRO CA C 40 63.204 62.398 0.806 1
1 394 . 14 1 1 A 40 40 PRO HA H 40 4.473 4.629 -0.156 1
1 395 . 14 1 1 A 40 40 PRO CB C 40 32.203 33.470 -1.267 1
1 401 . 14 1 1 A 40 40 PRO C C 40 176.955 176.321 0.634 1
1 405 . 14 1 1 A 41 41 SER N N 41 116.471 115.796 0.675 1
1 406 . 14 1 1 A 41 41 SER H H 41 8.474 8.739 -0.265 1
1 407 . 14 1 1 A 41 41 SER CA C 41 58.351 57.936 0.415 1
1 408 . 14 1 1 A 41 41 SER HA H 41 4.449 4.723 -0.274 1
1 409 . 14 1 1 A 41 41 SER CB C 41 64.036 63.709 0.327 1
1 411 . 14 1 1 A 41 41 SER C C 41 174.649 173.833 0.816 1
1 413 . 14 1 1 A 42 42 GLY N N 42 110.620 109.170 1.450 1
1 414 . 14 1 1 A 42 42 GLY H H 42 8.230 7.618 0.612 1
1 415 . 14 1 1 A 42 42 GLY CA C 42 44.661 44.298 0.363 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.410 46.165 -0.755 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 4.029 4.033 -0.004 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.333 174.336 -0.003 1
1 4 . 15 1 1 A 7 7 GLY HA2 H 7 4.029 4.031 -0.002 1
1 5 . 15 1 1 A 8 8 THR N N 8 113.596 115.545 -1.949 1
1 6 . 15 1 1 A 8 8 THR H H 8 8.037 7.643 0.394 1
1 7 . 15 1 1 A 8 8 THR CA C 8 61.631 62.596 -0.965 1
1 8 . 15 1 1 A 8 8 THR HA H 8 4.339 4.276 0.063 1
1 9 . 15 1 1 A 8 8 THR CB C 8 70.027 69.456 0.571 1
1 15 . 15 1 1 A 8 8 THR C C 8 174.408 173.842 0.566 1
1 16 . 15 1 1 A 9 9 ALA N N 9 125.919 130.734 -4.815 1
1 17 . 15 1 1 A 9 9 ALA H H 9 8.319 8.446 -0.127 1
1 18 . 15 1 1 A 9 9 ALA CA C 9 52.725 50.937 1.788 1
1 19 . 15 1 1 A 9 9 ALA HA H 9 4.265 4.742 -0.477 1
1 20 . 15 1 1 A 9 9 ALA CB C 9 19.143 20.443 -1.300 1
1 24 . 15 1 1 A 9 9 ALA C C 9 177.703 177.685 0.018 1
1 25 . 15 1 1 A 10 10 GLU N N 10 119.726 124.316 -4.590 1
1 26 . 15 1 1 A 10 10 GLU H H 10 8.258 8.760 -0.502 1
1 27 . 15 1 1 A 10 10 GLU CA C 10 57.161 59.173 -2.012 1
1 28 . 15 1 1 A 10 10 GLU HA H 10 4.130 4.078 0.052 1
1 29 . 15 1 1 A 10 10 GLU CB C 10 30.255 29.692 0.563 1
1 33 . 15 1 1 A 10 10 GLU C C 10 176.212 176.744 -0.532 1
1 36 . 15 1 1 A 11 11 LYS N N 11 120.765 117.993 2.772 1
1 37 . 15 1 1 A 11 11 LYS H H 11 8.078 7.959 0.119 1
1 38 . 15 1 1 A 11 11 LYS CA C 11 53.786 53.285 0.501 1
1 39 . 15 1 1 A 11 11 LYS HA H 11 4.509 4.796 -0.287 1
1 40 . 15 1 1 A 11 11 LYS CB C 11 32.725 34.172 -1.447 1
1 48 . 15 1 1 A 11 11 LYS C C 11 174.027 176.110 -2.083 1
1 53 . 15 1 1 A 12 12 PRO CA C 12 63.494 64.600 -1.106 1
1 54 . 15 1 1 A 12 12 PRO HA H 12 4.266 4.278 -0.012 1
1 55 . 15 1 1 A 12 12 PRO CB C 12 32.363 31.803 0.560 1
1 61 . 15 1 1 A 12 12 PRO C C 12 176.390 176.131 0.259 1
1 65 . 15 1 1 A 13 13 PHE N N 13 118.125 118.541 -0.416 1
1 66 . 15 1 1 A 13 13 PHE H H 13 7.951 7.660 0.291 1
1 67 . 15 1 1 A 13 13 PHE CA C 13 57.351 57.527 -0.176 1
1 68 . 15 1 1 A 13 13 PHE HA H 13 4.712 4.913 -0.201 1
1 69 . 15 1 1 A 13 13 PHE CB C 13 39.241 40.863 -1.622 1
1 81 . 15 1 1 A 13 13 PHE C C 13 174.556 175.135 -0.579 1
1 83 . 15 1 1 A 14 14 ARG N N 14 125.116 122.266 2.850 1
1 84 . 15 1 1 A 14 14 ARG H H 14 8.683 8.759 -0.076 1
1 85 . 15 1 1 A 14 14 ARG CA C 14 55.114 55.416 -0.302 1
1 86 . 15 1 1 A 14 14 ARG HA H 14 4.811 5.182 -0.371 1
1 87 . 15 1 1 A 14 14 ARG CB C 14 32.743 33.906 -1.163 1
1 93 . 15 1 1 A 14 14 ARG C C 14 175.152 174.255 0.897 1
1 97 . 15 1 1 A 15 15 CYS N N 15 126.627 124.514 2.113 1
1 98 . 15 1 1 A 15 15 CYS H H 15 8.950 9.401 -0.451 1
1 99 . 15 1 1 A 15 15 CYS CA C 15 60.705 58.414 2.291 1
1 100 . 15 1 1 A 15 15 CYS HA H 15 4.445 4.889 -0.444 1
1 101 . 15 1 1 A 15 15 CYS CB C 15 29.486 28.994 0.492 1
1 103 . 15 1 1 A 15 15 CYS C C 15 175.282 175.338 -0.056 1
1 105 . 15 1 1 A 16 16 ASP N N 16 127.711 128.302 -0.591 1
1 106 . 15 1 1 A 16 16 ASP H H 16 9.030 9.152 -0.122 1
1 107 . 15 1 1 A 16 16 ASP CA C 16 55.559 53.306 2.253 1
1 108 . 15 1 1 A 16 16 ASP HA H 16 4.588 4.800 -0.212 1
1 109 . 15 1 1 A 16 16 ASP CB C 16 40.455 39.468 0.987 1
1 111 . 15 1 1 A 16 16 ASP C C 16 176.634 177.049 -0.415 1
1 113 . 15 1 1 A 17 17 THR N N 17 119.919 114.569 5.350 1
1 114 . 15 1 1 A 17 17 THR H H 17 9.285 8.188 1.097 1
1 115 . 15 1 1 A 17 17 THR CA C 17 65.157 63.635 1.522 1
1 116 . 15 1 1 A 17 17 THR HA H 17 4.191 4.439 -0.248 1
1 117 . 15 1 1 A 17 17 THR CB C 17 69.826 70.543 -0.717 1
1 123 . 15 1 1 A 17 17 THR C C 17 174.022 175.701 -1.679 1
1 124 . 15 1 1 A 18 18 CYS N N 18 121.187 115.276 5.911 1
1 125 . 15 1 1 A 18 18 CYS H H 18 8.128 8.034 0.094 1
1 126 . 15 1 1 A 18 18 CYS CA C 18 58.215 58.087 0.128 1
1 127 . 15 1 1 A 18 18 CYS HA H 18 5.105 4.538 0.567 1
1 128 . 15 1 1 A 18 18 CYS CB C 18 31.519 27.705 3.814 1
1 130 . 15 1 1 A 18 18 CYS C C 18 174.129 174.667 -0.538 1
1 132 . 15 1 1 A 19 19 ASP N N 19 118.150 119.798 -1.648 1
1 133 . 15 1 1 A 19 19 ASP H H 19 8.128 7.804 0.324 1
1 134 . 15 1 1 A 19 19 ASP CA C 19 55.559 55.011 0.548 1
1 135 . 15 1 1 A 19 19 ASP HA H 19 4.588 4.248 0.340 1
1 136 . 15 1 1 A 19 19 ASP CB C 19 40.878 39.569 1.309 1
1 138 . 15 1 1 A 19 19 ASP C C 19 175.850 174.811 1.039 1
1 140 . 15 1 1 A 20 20 LYS N N 20 121.871 118.223 3.648 1
1 141 . 15 1 1 A 20 20 LYS H H 20 8.112 7.221 0.891 1
1 142 . 15 1 1 A 20 20 LYS CA C 20 57.660 54.442 3.218 1
1 143 . 15 1 1 A 20 20 LYS HA H 20 4.099 4.855 -0.756 1
1 144 . 15 1 1 A 20 20 LYS CB C 20 34.026 34.941 -0.915 1
1 152 . 15 1 1 A 20 20 LYS C C 20 174.727 175.265 -0.538 1
1 157 . 15 1 1 A 21 21 SER N N 21 114.588 112.667 1.921 1
1 158 . 15 1 1 A 21 21 SER H H 21 7.743 8.368 -0.625 1
1 159 . 15 1 1 A 21 21 SER CA C 21 56.845 57.134 -0.289 1
1 160 . 15 1 1 A 21 21 SER HA H 21 5.224 5.391 -0.167 1
1 161 . 15 1 1 A 21 21 SER CB C 21 66.180 66.185 -0.005 1
1 163 . 15 1 1 A 21 21 SER C C 21 172.795 172.438 0.357 1
1 165 . 15 1 1 A 22 22 PHE N N 22 117.192 118.683 -1.491 1
1 166 . 15 1 1 A 22 22 PHE H H 22 8.783 9.050 -0.267 1
1 167 . 15 1 1 A 22 22 PHE CA C 22 57.524 56.860 0.664 1
1 168 . 15 1 1 A 22 22 PHE HA H 22 4.727 4.895 -0.168 1
1 169 . 15 1 1 A 22 22 PHE CB C 22 44.051 43.669 0.382 1
1 181 . 15 1 1 A 22 22 PHE C C 22 175.101 175.810 -0.709 1
1 183 . 15 1 1 A 23 23 ARG N N 23 120.595 120.193 0.402 1
1 184 . 15 1 1 A 23 23 ARG H H 23 9.190 8.971 0.219 1
1 185 . 15 1 1 A 23 23 ARG CA C 23 58.140 57.029 1.111 1
1 186 . 15 1 1 A 23 23 ARG HA H 23 4.541 4.737 -0.196 1
1 187 . 15 1 1 A 23 23 ARG CB C 23 31.352 31.801 -0.449 1
1 193 . 15 1 1 A 23 23 ARG C C 23 175.992 176.034 -0.042 1
1 197 . 15 1 1 A 24 24 GLN N N 24 113.055 118.627 -5.572 1
1 198 . 15 1 1 A 24 24 GLN H H 24 7.538 7.445 0.093 1
1 199 . 15 1 1 A 24 24 GLN CA C 24 53.944 54.865 -0.921 1
1 200 . 15 1 1 A 24 24 GLN HA H 24 4.792 4.411 0.381 1
1 201 . 15 1 1 A 24 24 GLN CB C 24 31.991 29.877 2.114 1
1 208 . 15 1 1 A 24 24 GLN C C 24 175.828 175.481 0.347 1
1 211 . 15 1 1 A 25 25 ARG N N 25 126.893 125.849 1.044 1
1 212 . 15 1 1 A 25 25 ARG H H 25 8.562 8.760 -0.198 1
1 213 . 15 1 1 A 25 25 ARG CA C 25 59.274 58.701 0.573 1
1 214 . 15 1 1 A 25 25 ARG HA H 25 2.955 3.186 -0.231 1
1 215 . 15 1 1 A 25 25 ARG CB C 25 29.418 29.862 -0.444 1
1 221 . 15 1 1 A 25 25 ARG C C 25 178.032 177.529 0.503 1
1 225 . 15 1 1 A 26 26 SER CA C 26 60.900 60.762 0.138 1
1 226 . 15 1 1 A 26 26 SER HA H 26 3.990 4.224 -0.234 1
1 227 . 15 1 1 A 26 26 SER CB C 26 61.349 63.170 -1.821 1
1 229 . 15 1 1 A 26 26 SER C C 26 176.508 175.353 1.155 1
1 231 . 15 1 1 A 27 27 ALA N N 27 124.883 122.899 1.984 1
1 232 . 15 1 1 A 27 27 ALA H H 27 6.637 7.877 -1.240 1
1 233 . 15 1 1 A 27 27 ALA CA C 27 54.234 53.809 0.425 1
1 234 . 15 1 1 A 27 27 ALA HA H 27 4.143 4.170 -0.027 1
1 235 . 15 1 1 A 27 27 ALA CB C 27 19.102 18.814 0.288 1
1 239 . 15 1 1 A 27 27 ALA C C 27 179.857 179.009 0.848 1
1 240 . 15 1 1 A 28 28 LEU N N 28 120.865 119.967 0.898 1
1 241 . 15 1 1 A 28 28 LEU H H 28 6.980 7.344 -0.364 1
1 242 . 15 1 1 A 28 28 LEU CA C 28 57.651 56.319 1.332 1
1 243 . 15 1 1 A 28 28 LEU HA H 28 3.201 3.068 0.133 1
1 244 . 15 1 1 A 28 28 LEU CB C 28 40.193 42.128 -1.935 1
1 256 . 15 1 1 A 28 28 LEU C C 28 177.607 178.425 -0.818 1
1 258 . 15 1 1 A 29 29 ASN N N 29 117.824 116.822 1.002 1
1 259 . 15 1 1 A 29 29 ASN H H 29 8.364 8.255 0.109 1
1 260 . 15 1 1 A 29 29 ASN CA C 29 56.041 56.154 -0.113 1
1 261 . 15 1 1 A 29 29 ASN HA H 29 4.291 4.364 -0.073 1
1 262 . 15 1 1 A 29 29 ASN CB C 29 37.208 38.226 -1.018 1
1 267 . 15 1 1 A 29 29 ASN C C 29 178.174 177.282 0.892 1
1 269 . 15 1 1 A 30 30 SER N N 30 114.405 115.336 -0.931 1
1 270 . 15 1 1 A 30 30 SER H H 30 7.817 7.743 0.074 1
1 271 . 15 1 1 A 30 30 SER CA C 30 61.429 61.062 0.367 1
1 272 . 15 1 1 A 30 30 SER HA H 30 4.211 4.336 -0.125 1
1 273 . 15 1 1 A 30 30 SER CB C 30 62.626 62.912 -0.286 1
1 275 . 15 1 1 A 30 30 SER C C 30 176.722 176.788 -0.066 1
1 277 . 15 1 1 A 31 31 HIS N N 31 121.832 120.998 0.834 1
1 278 . 15 1 1 A 31 31 HIS H H 31 7.642 7.358 0.284 1
1 279 . 15 1 1 A 31 31 HIS CA C 31 59.238 59.656 -0.418 1
1 280 . 15 1 1 A 31 31 HIS HA H 31 4.197 4.093 0.104 1
1 281 . 15 1 1 A 31 31 HIS CB C 31 28.523 29.113 -0.590 1
1 287 . 15 1 1 A 31 31 HIS C C 31 176.289 177.202 -0.913 1
1 289 . 15 1 1 A 32 32 ARG N N 32 115.403 118.471 -3.068 1
1 290 . 15 1 1 A 32 32 ARG H H 32 8.369 8.340 0.029 1
1 291 . 15 1 1 A 32 32 ARG CA C 32 59.823 59.545 0.278 1
1 292 . 15 1 1 A 32 32 ARG HA H 32 3.681 3.998 -0.317 1
1 293 . 15 1 1 A 32 32 ARG CB C 32 30.134 29.910 0.224 1
1 299 . 15 1 1 A 32 32 ARG C C 32 177.770 178.899 -1.129 1
1 303 . 15 1 1 A 33 33 MET N N 33 116.194 118.932 -2.738 1
1 304 . 15 1 1 A 33 33 MET H H 33 7.101 8.031 -0.930 1
1 305 . 15 1 1 A 33 33 MET CA C 33 57.585 58.208 -0.623 1
1 306 . 15 1 1 A 33 33 MET HA H 33 4.275 4.155 0.120 1
1 307 . 15 1 1 A 33 33 MET CB C 33 32.092 33.017 -0.925 1
1 315 . 15 1 1 A 33 33 MET C C 33 178.400 178.111 0.289 1
1 318 . 15 1 1 A 34 34 ILE N N 34 116.686 117.086 -0.400 1
1 319 . 15 1 1 A 34 34 ILE H H 34 7.842 7.427 0.415 1
1 320 . 15 1 1 A 34 34 ILE CA C 34 63.035 64.082 -1.047 1
1 321 . 15 1 1 A 34 34 ILE HA H 34 4.015 3.720 0.295 1
1 322 . 15 1 1 A 34 34 ILE CB C 34 37.667 37.192 0.475 1
1 334 . 15 1 1 A 34 34 ILE C C 34 177.407 177.535 -0.128 1
1 336 . 15 1 1 A 35 35 HIS N N 35 117.537 119.471 -1.934 1
1 337 . 15 1 1 A 35 35 HIS H H 35 7.269 7.393 -0.124 1
1 338 . 15 1 1 A 35 35 HIS CA C 35 55.138 58.969 -3.831 1
1 339 . 15 1 1 A 35 35 HIS HA H 35 4.896 4.363 0.533 1
1 340 . 15 1 1 A 35 35 HIS CB C 35 28.592 30.668 -2.076 1
1 346 . 15 1 1 A 35 35 HIS C C 35 175.843 175.586 0.257 1
1 348 . 15 1 1 A 36 36 THR N N 36 111.953 110.997 0.956 1
1 349 . 15 1 1 A 36 36 THR H H 36 7.782 7.316 0.466 1
1 350 . 15 1 1 A 36 36 THR CA C 36 62.695 62.729 -0.034 1
1 351 . 15 1 1 A 36 36 THR HA H 36 4.338 4.111 0.227 1
1 352 . 15 1 1 A 36 36 THR CB C 36 69.805 69.131 0.674 1
1 358 . 15 1 1 A 36 36 THR C C 36 175.459 174.763 0.696 1
1 359 . 15 1 1 A 37 37 GLY N N 37 110.774 111.020 -0.246 1
1 360 . 15 1 1 A 37 37 GLY H H 37 8.280 8.540 -0.260 1
1 361 . 15 1 1 A 37 37 GLY CA C 37 45.403 45.847 -0.444 1
1 362 . 15 1 1 A 37 37 GLY HA3 H 37 3.973 4.183 -0.210 1
1 363 . 15 1 1 A 37 37 GLY C C 37 174.049 172.635 1.414 1
1 364 . 15 1 1 A 37 37 GLY HA2 H 37 4.038 4.177 -0.139 1
1 365 . 15 1 1 A 38 38 GLU N N 38 120.547 119.981 0.566 1
1 366 . 15 1 1 A 38 38 GLU H H 38 8.047 8.498 -0.451 1
1 367 . 15 1 1 A 38 38 GLU CA C 38 56.525 55.327 1.198 1
1 368 . 15 1 1 A 38 38 GLU HA H 38 4.258 4.766 -0.508 1
1 369 . 15 1 1 A 38 38 GLU CB C 38 30.671 30.749 -0.078 1
1 373 . 15 1 1 A 38 38 GLU C C 38 176.086 175.340 0.746 1
1 376 . 15 1 1 A 39 39 LYS N N 39 123.461 124.417 -0.956 1
1 377 . 15 1 1 A 39 39 LYS H H 39 8.380 8.531 -0.151 1
1 378 . 15 1 1 A 39 39 LYS CA C 39 54.014 52.922 1.092 1
1 379 . 15 1 1 A 39 39 LYS HA H 39 4.634 4.782 -0.148 1
1 380 . 15 1 1 A 39 39 LYS CB C 39 32.650 33.963 -1.313 1
1 388 . 15 1 1 A 39 39 LYS C C 39 174.430 173.844 0.586 1
1 393 . 15 1 1 A 40 40 PRO CA C 40 63.204 62.446 0.758 1
1 394 . 15 1 1 A 40 40 PRO HA H 40 4.473 4.540 -0.067 1
1 395 . 15 1 1 A 40 40 PRO CB C 40 32.203 32.541 -0.338 1
1 401 . 15 1 1 A 40 40 PRO C C 40 176.955 176.786 0.169 1
1 405 . 15 1 1 A 41 41 SER N N 41 116.471 114.827 1.644 1
1 406 . 15 1 1 A 41 41 SER H H 41 8.474 8.588 -0.114 1
1 407 . 15 1 1 A 41 41 SER CA C 41 58.351 58.476 -0.125 1
1 408 . 15 1 1 A 41 41 SER HA H 41 4.449 4.395 0.054 1
1 409 . 15 1 1 A 41 41 SER CB C 41 64.036 63.532 0.504 1
1 411 . 15 1 1 A 41 41 SER C C 41 174.649 174.722 -0.073 1
1 413 . 15 1 1 A 42 42 GLY N N 42 110.620 109.601 1.019 1
1 414 . 15 1 1 A 42 42 GLY H H 42 8.230 8.554 -0.324 1
1 415 . 15 1 1 A 42 42 GLY CA C 42 44.661 44.362 0.299 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.410 46.457 -1.047 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 4.029 3.941 0.088 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.333 174.095 0.238 1
1 4 . 16 1 1 A 7 7 GLY HA2 H 7 4.029 3.939 0.090 1
1 5 . 16 1 1 A 8 8 THR N N 8 113.596 112.188 1.408 1
1 6 . 16 1 1 A 8 8 THR H H 8 8.037 8.088 -0.051 1
1 7 . 16 1 1 A 8 8 THR CA C 8 61.631 60.578 1.053 1
1 8 . 16 1 1 A 8 8 THR HA H 8 4.339 5.215 -0.876 1
1 9 . 16 1 1 A 8 8 THR CB C 8 70.027 70.600 -0.573 1
1 15 . 16 1 1 A 8 8 THR C C 8 174.408 173.576 0.832 1
1 16 . 16 1 1 A 9 9 ALA N N 9 125.919 125.790 0.129 1
1 17 . 16 1 1 A 9 9 ALA H H 9 8.319 8.407 -0.088 1
1 18 . 16 1 1 A 9 9 ALA CA C 9 52.725 51.454 1.271 1
1 19 . 16 1 1 A 9 9 ALA HA H 9 4.265 4.800 -0.535 1
1 20 . 16 1 1 A 9 9 ALA CB C 9 19.143 22.122 -2.979 1
1 24 . 16 1 1 A 9 9 ALA C C 9 177.703 177.652 0.051 1
1 25 . 16 1 1 A 10 10 GLU N N 10 119.726 123.198 -3.472 1
1 26 . 16 1 1 A 10 10 GLU H H 10 8.258 8.907 -0.649 1
1 27 . 16 1 1 A 10 10 GLU CA C 10 57.161 59.317 -2.156 1
1 28 . 16 1 1 A 10 10 GLU HA H 10 4.130 4.015 0.115 1
1 29 . 16 1 1 A 10 10 GLU CB C 10 30.255 29.631 0.624 1
1 33 . 16 1 1 A 10 10 GLU C C 10 176.212 176.069 0.143 1
1 36 . 16 1 1 A 11 11 LYS N N 11 120.765 118.316 2.449 1
1 37 . 16 1 1 A 11 11 LYS H H 11 8.078 7.891 0.187 1
1 38 . 16 1 1 A 11 11 LYS CA C 11 53.786 53.178 0.608 1
1 39 . 16 1 1 A 11 11 LYS HA H 11 4.509 4.729 -0.220 1
1 40 . 16 1 1 A 11 11 LYS CB C 11 32.725 33.628 -0.903 1
1 48 . 16 1 1 A 11 11 LYS C C 11 174.027 176.422 -2.395 1
1 53 . 16 1 1 A 12 12 PRO CA C 12 63.494 64.430 -0.936 1
1 54 . 16 1 1 A 12 12 PRO HA H 12 4.266 4.333 -0.067 1
1 55 . 16 1 1 A 12 12 PRO CB C 12 32.363 31.701 0.662 1
1 61 . 16 1 1 A 12 12 PRO C C 12 176.390 176.019 0.371 1
1 65 . 16 1 1 A 13 13 PHE N N 13 118.125 118.344 -0.219 1
1 66 . 16 1 1 A 13 13 PHE H H 13 7.951 7.702 0.249 1
1 67 . 16 1 1 A 13 13 PHE CA C 13 57.351 57.349 0.002 1
1 68 . 16 1 1 A 13 13 PHE HA H 13 4.712 5.037 -0.325 1
1 69 . 16 1 1 A 13 13 PHE CB C 13 39.241 41.760 -2.519 1
1 81 . 16 1 1 A 13 13 PHE C C 13 174.556 174.822 -0.266 1
1 83 . 16 1 1 A 14 14 ARG N N 14 125.116 121.874 3.242 1
1 84 . 16 1 1 A 14 14 ARG H H 14 8.683 8.747 -0.064 1
1 85 . 16 1 1 A 14 14 ARG CA C 14 55.114 55.410 -0.296 1
1 86 . 16 1 1 A 14 14 ARG HA H 14 4.811 5.045 -0.234 1
1 87 . 16 1 1 A 14 14 ARG CB C 14 32.743 34.043 -1.300 1
1 93 . 16 1 1 A 14 14 ARG C C 14 175.152 174.206 0.946 1
1 97 . 16 1 1 A 15 15 CYS N N 15 126.627 124.487 2.140 1
1 98 . 16 1 1 A 15 15 CYS H H 15 8.950 9.440 -0.490 1
1 99 . 16 1 1 A 15 15 CYS CA C 15 60.705 58.406 2.299 1
1 100 . 16 1 1 A 15 15 CYS HA H 15 4.445 4.870 -0.425 1
1 101 . 16 1 1 A 15 15 CYS CB C 15 29.486 28.812 0.674 1
1 103 . 16 1 1 A 15 15 CYS C C 15 175.282 175.252 0.030 1
1 105 . 16 1 1 A 16 16 ASP N N 16 127.711 128.507 -0.796 1
1 106 . 16 1 1 A 16 16 ASP H H 16 9.030 9.093 -0.063 1
1 107 . 16 1 1 A 16 16 ASP CA C 16 55.559 53.207 2.352 1
1 108 . 16 1 1 A 16 16 ASP HA H 16 4.588 4.803 -0.215 1
1 109 . 16 1 1 A 16 16 ASP CB C 16 40.455 39.767 0.688 1
1 111 . 16 1 1 A 16 16 ASP C C 16 176.634 177.129 -0.495 1
1 113 . 16 1 1 A 17 17 THR N N 17 119.919 114.585 5.334 1
1 114 . 16 1 1 A 17 17 THR H H 17 9.285 8.145 1.140 1
1 115 . 16 1 1 A 17 17 THR CA C 17 65.157 63.778 1.379 1
1 116 . 16 1 1 A 17 17 THR HA H 17 4.191 4.440 -0.249 1
1 117 . 16 1 1 A 17 17 THR CB C 17 69.826 70.462 -0.636 1
1 123 . 16 1 1 A 17 17 THR C C 17 174.022 175.699 -1.677 1
1 124 . 16 1 1 A 18 18 CYS N N 18 121.187 114.876 6.311 1
1 125 . 16 1 1 A 18 18 CYS H H 18 8.128 8.042 0.086 1
1 126 . 16 1 1 A 18 18 CYS CA C 18 58.215 58.084 0.131 1
1 127 . 16 1 1 A 18 18 CYS HA H 18 5.105 4.545 0.560 1
1 128 . 16 1 1 A 18 18 CYS CB C 18 31.519 27.311 4.208 1
1 130 . 16 1 1 A 18 18 CYS C C 18 174.129 174.026 0.103 1
1 132 . 16 1 1 A 19 19 ASP N N 19 118.150 117.093 1.057 1
1 133 . 16 1 1 A 19 19 ASP H H 19 8.128 8.151 -0.023 1
1 134 . 16 1 1 A 19 19 ASP CA C 19 55.559 55.441 0.118 1
1 135 . 16 1 1 A 19 19 ASP HA H 19 4.588 4.168 0.420 1
1 136 . 16 1 1 A 19 19 ASP CB C 19 40.878 38.975 1.903 1
1 138 . 16 1 1 A 19 19 ASP C C 19 175.850 174.820 1.030 1
1 140 . 16 1 1 A 20 20 LYS N N 20 121.871 117.525 4.346 1
1 141 . 16 1 1 A 20 20 LYS H H 20 8.112 7.229 0.883 1
1 142 . 16 1 1 A 20 20 LYS CA C 20 57.660 54.449 3.211 1
1 143 . 16 1 1 A 20 20 LYS HA H 20 4.099 4.862 -0.763 1
1 144 . 16 1 1 A 20 20 LYS CB C 20 34.026 35.042 -1.016 1
1 152 . 16 1 1 A 20 20 LYS C C 20 174.727 175.230 -0.503 1
1 157 . 16 1 1 A 21 21 SER N N 21 114.588 112.683 1.905 1
1 158 . 16 1 1 A 21 21 SER H H 21 7.743 8.393 -0.650 1
1 159 . 16 1 1 A 21 21 SER CA C 21 56.845 57.221 -0.376 1
1 160 . 16 1 1 A 21 21 SER HA H 21 5.224 5.394 -0.170 1
1 161 . 16 1 1 A 21 21 SER CB C 21 66.180 66.171 0.009 1
1 163 . 16 1 1 A 21 21 SER C C 21 172.795 172.491 0.304 1
1 165 . 16 1 1 A 22 22 PHE N N 22 117.192 118.742 -1.550 1
1 166 . 16 1 1 A 22 22 PHE H H 22 8.783 9.046 -0.263 1
1 167 . 16 1 1 A 22 22 PHE CA C 22 57.524 56.817 0.707 1
1 168 . 16 1 1 A 22 22 PHE HA H 22 4.727 4.898 -0.171 1
1 169 . 16 1 1 A 22 22 PHE CB C 22 44.051 43.642 0.409 1
1 181 . 16 1 1 A 22 22 PHE C C 22 175.101 175.879 -0.778 1
1 183 . 16 1 1 A 23 23 ARG N N 23 120.595 120.284 0.311 1
1 184 . 16 1 1 A 23 23 ARG H H 23 9.190 9.022 0.168 1
1 185 . 16 1 1 A 23 23 ARG CA C 23 58.140 57.320 0.820 1
1 186 . 16 1 1 A 23 23 ARG HA H 23 4.541 4.671 -0.130 1
1 187 . 16 1 1 A 23 23 ARG CB C 23 31.352 31.861 -0.509 1
1 193 . 16 1 1 A 23 23 ARG C C 23 175.992 176.245 -0.253 1
1 197 . 16 1 1 A 24 24 GLN N N 24 113.055 118.361 -5.306 1
1 198 . 16 1 1 A 24 24 GLN H H 24 7.538 7.578 -0.040 1
1 199 . 16 1 1 A 24 24 GLN CA C 24 53.944 54.895 -0.951 1
1 200 . 16 1 1 A 24 24 GLN HA H 24 4.792 4.519 0.273 1
1 201 . 16 1 1 A 24 24 GLN CB C 24 31.991 30.411 1.580 1
1 208 . 16 1 1 A 24 24 GLN C C 24 175.828 175.322 0.506 1
1 211 . 16 1 1 A 25 25 ARG N N 25 126.893 125.476 1.417 1
1 212 . 16 1 1 A 25 25 ARG H H 25 8.562 8.597 -0.035 1
1 213 . 16 1 1 A 25 25 ARG CA C 25 59.274 58.539 0.735 1
1 214 . 16 1 1 A 25 25 ARG HA H 25 2.955 2.766 0.189 1
1 215 . 16 1 1 A 25 25 ARG CB C 25 29.418 29.592 -0.174 1
1 221 . 16 1 1 A 25 25 ARG C C 25 178.032 177.056 0.976 1
1 225 . 16 1 1 A 26 26 SER CA C 26 60.900 61.080 -0.180 1
1 226 . 16 1 1 A 26 26 SER HA H 26 3.990 4.064 -0.074 1
1 227 . 16 1 1 A 26 26 SER CB C 26 61.349 62.994 -1.645 1
1 229 . 16 1 1 A 26 26 SER C C 26 176.508 176.576 -0.068 1
1 231 . 16 1 1 A 27 27 ALA N N 27 124.883 122.015 2.868 1
1 232 . 16 1 1 A 27 27 ALA H H 27 6.637 7.973 -1.336 1
1 233 . 16 1 1 A 27 27 ALA CA C 27 54.234 54.367 -0.133 1
1 234 . 16 1 1 A 27 27 ALA HA H 27 4.143 4.081 0.062 1
1 235 . 16 1 1 A 27 27 ALA CB C 27 19.102 18.762 0.340 1
1 239 . 16 1 1 A 27 27 ALA C C 27 179.857 178.903 0.954 1
1 240 . 16 1 1 A 28 28 LEU N N 28 120.865 119.533 1.332 1
1 241 . 16 1 1 A 28 28 LEU H H 28 6.980 7.274 -0.294 1
1 242 . 16 1 1 A 28 28 LEU CA C 28 57.651 56.408 1.243 1
1 243 . 16 1 1 A 28 28 LEU HA H 28 3.201 3.059 0.142 1
1 244 . 16 1 1 A 28 28 LEU CB C 28 40.193 42.056 -1.863 1
1 256 . 16 1 1 A 28 28 LEU C C 28 177.607 178.428 -0.821 1
1 258 . 16 1 1 A 29 29 ASN N N 29 117.824 116.989 0.835 1
1 259 . 16 1 1 A 29 29 ASN H H 29 8.364 8.669 -0.305 1
1 260 . 16 1 1 A 29 29 ASN CA C 29 56.041 56.140 -0.099 1
1 261 . 16 1 1 A 29 29 ASN HA H 29 4.291 4.351 -0.060 1
1 262 . 16 1 1 A 29 29 ASN CB C 29 37.208 38.204 -0.996 1
1 267 . 16 1 1 A 29 29 ASN C C 29 178.174 177.154 1.020 1
1 269 . 16 1 1 A 30 30 SER N N 30 114.405 115.331 -0.926 1
1 270 . 16 1 1 A 30 30 SER H H 30 7.817 7.714 0.103 1
1 271 . 16 1 1 A 30 30 SER CA C 30 61.429 61.066 0.363 1
1 272 . 16 1 1 A 30 30 SER HA H 30 4.211 4.337 -0.126 1
1 273 . 16 1 1 A 30 30 SER CB C 30 62.626 63.142 -0.516 1
1 275 . 16 1 1 A 30 30 SER C C 30 176.722 176.803 -0.081 1
1 277 . 16 1 1 A 31 31 HIS N N 31 121.832 120.844 0.988 1
1 278 . 16 1 1 A 31 31 HIS H H 31 7.642 7.375 0.267 1
1 279 . 16 1 1 A 31 31 HIS CA C 31 59.238 59.842 -0.604 1
1 280 . 16 1 1 A 31 31 HIS HA H 31 4.197 4.088 0.109 1
1 281 . 16 1 1 A 31 31 HIS CB C 31 28.523 29.302 -0.779 1
1 287 . 16 1 1 A 31 31 HIS C C 31 176.289 177.394 -1.105 1
1 289 . 16 1 1 A 32 32 ARG N N 32 115.403 118.340 -2.937 1
1 290 . 16 1 1 A 32 32 ARG H H 32 8.369 8.240 0.129 1
1 291 . 16 1 1 A 32 32 ARG CA C 32 59.823 59.701 0.122 1
1 292 . 16 1 1 A 32 32 ARG HA H 32 3.681 3.980 -0.299 1
1 293 . 16 1 1 A 32 32 ARG CB C 32 30.134 29.742 0.392 1
1 299 . 16 1 1 A 32 32 ARG C C 32 177.770 178.928 -1.158 1
1 303 . 16 1 1 A 33 33 MET N N 33 116.194 119.112 -2.918 1
1 304 . 16 1 1 A 33 33 MET H H 33 7.101 7.951 -0.850 1
1 305 . 16 1 1 A 33 33 MET CA C 33 57.585 58.362 -0.777 1
1 306 . 16 1 1 A 33 33 MET HA H 33 4.275 4.135 0.140 1
1 307 . 16 1 1 A 33 33 MET CB C 33 32.092 32.853 -0.761 1
1 315 . 16 1 1 A 33 33 MET C C 33 178.400 178.115 0.285 1
1 318 . 16 1 1 A 34 34 ILE N N 34 116.686 117.081 -0.395 1
1 319 . 16 1 1 A 34 34 ILE H H 34 7.842 7.684 0.158 1
1 320 . 16 1 1 A 34 34 ILE CA C 34 63.035 63.899 -0.864 1
1 321 . 16 1 1 A 34 34 ILE HA H 34 4.015 3.734 0.281 1
1 322 . 16 1 1 A 34 34 ILE CB C 34 37.667 37.197 0.470 1
1 334 . 16 1 1 A 34 34 ILE C C 34 177.407 177.434 -0.027 1
1 336 . 16 1 1 A 35 35 HIS N N 35 117.537 119.549 -2.012 1
1 337 . 16 1 1 A 35 35 HIS H H 35 7.269 7.163 0.106 1
1 338 . 16 1 1 A 35 35 HIS CA C 35 55.138 58.840 -3.702 1
1 339 . 16 1 1 A 35 35 HIS HA H 35 4.896 4.409 0.487 1
1 340 . 16 1 1 A 35 35 HIS CB C 35 28.592 30.734 -2.142 1
1 346 . 16 1 1 A 35 35 HIS C C 35 175.843 175.563 0.280 1
1 348 . 16 1 1 A 36 36 THR N N 36 111.953 111.304 0.649 1
1 349 . 16 1 1 A 36 36 THR H H 36 7.782 7.367 0.415 1
1 350 . 16 1 1 A 36 36 THR CA C 36 62.695 62.368 0.327 1
1 351 . 16 1 1 A 36 36 THR HA H 36 4.338 4.165 0.173 1
1 352 . 16 1 1 A 36 36 THR CB C 36 69.805 69.532 0.273 1
1 358 . 16 1 1 A 36 36 THR C C 36 175.459 175.009 0.450 1
1 359 . 16 1 1 A 37 37 GLY N N 37 110.774 109.023 1.751 1
1 360 . 16 1 1 A 37 37 GLY H H 37 8.280 8.339 -0.059 1
1 361 . 16 1 1 A 37 37 GLY CA C 37 45.403 44.123 1.280 1
1 362 . 16 1 1 A 37 37 GLY HA3 H 37 3.973 4.106 -0.133 1
1 363 . 16 1 1 A 37 37 GLY C C 37 174.049 172.681 1.368 1
1 364 . 16 1 1 A 37 37 GLY HA2 H 37 4.038 4.105 -0.067 1
1 365 . 16 1 1 A 38 38 GLU N N 38 120.547 120.432 0.115 1
1 366 . 16 1 1 A 38 38 GLU H H 38 8.047 8.405 -0.358 1
1 367 . 16 1 1 A 38 38 GLU CA C 38 56.525 55.419 1.106 1
1 368 . 16 1 1 A 38 38 GLU HA H 38 4.258 4.858 -0.600 1
1 369 . 16 1 1 A 38 38 GLU CB C 38 30.671 30.521 0.150 1
1 373 . 16 1 1 A 38 38 GLU C C 38 176.086 174.944 1.142 1
1 376 . 16 1 1 A 39 39 LYS N N 39 123.461 125.604 -2.143 1
1 377 . 16 1 1 A 39 39 LYS H H 39 8.380 8.277 0.103 1
1 378 . 16 1 1 A 39 39 LYS CA C 39 54.014 53.927 0.087 1
1 379 . 16 1 1 A 39 39 LYS HA H 39 4.634 4.696 -0.062 1
1 380 . 16 1 1 A 39 39 LYS CB C 39 32.650 34.001 -1.351 1
1 388 . 16 1 1 A 39 39 LYS C C 39 174.430 175.843 -1.413 1
1 393 . 16 1 1 A 40 40 PRO CA C 40 63.204 64.061 -0.857 1
1 394 . 16 1 1 A 40 40 PRO HA H 40 4.473 4.456 0.017 1
1 395 . 16 1 1 A 40 40 PRO CB C 40 32.203 32.115 0.088 1
1 401 . 16 1 1 A 40 40 PRO C C 40 176.955 177.048 -0.093 1
1 405 . 16 1 1 A 41 41 SER N N 41 116.471 112.796 3.675 1
1 406 . 16 1 1 A 41 41 SER H H 41 8.474 8.075 0.399 1
1 407 . 16 1 1 A 41 41 SER CA C 41 58.351 61.566 -3.215 1
1 408 . 16 1 1 A 41 41 SER HA H 41 4.449 4.200 0.249 1
1 409 . 16 1 1 A 41 41 SER CB C 41 64.036 63.140 0.896 1
1 411 . 16 1 1 A 41 41 SER C C 41 174.649 174.379 0.270 1
1 413 . 16 1 1 A 42 42 GLY N N 42 110.620 106.138 4.482 1
1 414 . 16 1 1 A 42 42 GLY H H 42 8.230 7.586 0.644 1
1 415 . 16 1 1 A 42 42 GLY CA C 42 44.661 44.930 -0.269 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.410 46.787 -1.377 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 4.029 3.927 0.102 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.333 174.517 -0.184 1
1 4 . 17 1 1 A 7 7 GLY HA2 H 7 4.029 3.926 0.103 1
1 5 . 17 1 1 A 8 8 THR N N 8 113.596 109.598 3.998 1
1 6 . 17 1 1 A 8 8 THR H H 8 8.037 7.901 0.136 1
1 7 . 17 1 1 A 8 8 THR CA C 8 61.631 60.110 1.521 1
1 8 . 17 1 1 A 8 8 THR HA H 8 4.339 5.082 -0.743 1
1 9 . 17 1 1 A 8 8 THR CB C 8 70.027 72.163 -2.136 1
1 15 . 17 1 1 A 8 8 THR C C 8 174.408 172.978 1.430 1
1 16 . 17 1 1 A 9 9 ALA N N 9 125.919 123.024 2.895 1
1 17 . 17 1 1 A 9 9 ALA H H 9 8.319 8.446 -0.127 1
1 18 . 17 1 1 A 9 9 ALA CA C 9 52.725 50.486 2.239 1
1 19 . 17 1 1 A 9 9 ALA HA H 9 4.265 4.876 -0.611 1
1 20 . 17 1 1 A 9 9 ALA CB C 9 19.143 21.177 -2.034 1
1 24 . 17 1 1 A 9 9 ALA C C 9 177.703 177.806 -0.103 1
1 25 . 17 1 1 A 10 10 GLU N N 10 119.726 124.849 -5.123 1
1 26 . 17 1 1 A 10 10 GLU H H 10 8.258 8.948 -0.690 1
1 27 . 17 1 1 A 10 10 GLU CA C 10 57.161 59.629 -2.468 1
1 28 . 17 1 1 A 10 10 GLU HA H 10 4.130 4.041 0.089 1
1 29 . 17 1 1 A 10 10 GLU CB C 10 30.255 29.818 0.437 1
1 33 . 17 1 1 A 10 10 GLU C C 10 176.212 175.795 0.417 1
1 36 . 17 1 1 A 11 11 LYS N N 11 120.765 117.322 3.443 1
1 37 . 17 1 1 A 11 11 LYS H H 11 8.078 8.073 0.005 1
1 38 . 17 1 1 A 11 11 LYS CA C 11 53.786 53.372 0.414 1
1 39 . 17 1 1 A 11 11 LYS HA H 11 4.509 4.794 -0.285 1
1 40 . 17 1 1 A 11 11 LYS CB C 11 32.725 33.839 -1.114 1
1 48 . 17 1 1 A 11 11 LYS C C 11 174.027 176.343 -2.316 1
1 53 . 17 1 1 A 12 12 PRO CA C 12 63.494 64.650 -1.156 1
1 54 . 17 1 1 A 12 12 PRO HA H 12 4.266 4.304 -0.038 1
1 55 . 17 1 1 A 12 12 PRO CB C 12 32.363 31.807 0.556 1
1 61 . 17 1 1 A 12 12 PRO C C 12 176.390 176.088 0.302 1
1 65 . 17 1 1 A 13 13 PHE N N 13 118.125 118.334 -0.209 1
1 66 . 17 1 1 A 13 13 PHE H H 13 7.951 7.509 0.442 1
1 67 . 17 1 1 A 13 13 PHE CA C 13 57.351 57.624 -0.273 1
1 68 . 17 1 1 A 13 13 PHE HA H 13 4.712 4.768 -0.056 1
1 69 . 17 1 1 A 13 13 PHE CB C 13 39.241 40.590 -1.349 1
1 81 . 17 1 1 A 13 13 PHE C C 13 174.556 175.077 -0.521 1
1 83 . 17 1 1 A 14 14 ARG N N 14 125.116 122.433 2.683 1
1 84 . 17 1 1 A 14 14 ARG H H 14 8.683 8.775 -0.092 1
1 85 . 17 1 1 A 14 14 ARG CA C 14 55.114 55.362 -0.248 1
1 86 . 17 1 1 A 14 14 ARG HA H 14 4.811 5.264 -0.453 1
1 87 . 17 1 1 A 14 14 ARG CB C 14 32.743 33.921 -1.178 1
1 93 . 17 1 1 A 14 14 ARG C C 14 175.152 174.206 0.946 1
1 97 . 17 1 1 A 15 15 CYS N N 15 126.627 124.485 2.142 1
1 98 . 17 1 1 A 15 15 CYS H H 15 8.950 9.360 -0.410 1
1 99 . 17 1 1 A 15 15 CYS CA C 15 60.705 58.220 2.485 1
1 100 . 17 1 1 A 15 15 CYS HA H 15 4.445 4.868 -0.423 1
1 101 . 17 1 1 A 15 15 CYS CB C 15 29.486 29.055 0.431 1
1 103 . 17 1 1 A 15 15 CYS C C 15 175.282 175.315 -0.033 1
1 105 . 17 1 1 A 16 16 ASP N N 16 127.711 128.293 -0.582 1
1 106 . 17 1 1 A 16 16 ASP H H 16 9.030 9.143 -0.113 1
1 107 . 17 1 1 A 16 16 ASP CA C 16 55.559 53.244 2.315 1
1 108 . 17 1 1 A 16 16 ASP HA H 16 4.588 4.796 -0.208 1
1 109 . 17 1 1 A 16 16 ASP CB C 16 40.455 39.459 0.996 1
1 111 . 17 1 1 A 16 16 ASP C C 16 176.634 177.050 -0.416 1
1 113 . 17 1 1 A 17 17 THR N N 17 119.919 114.567 5.352 1
1 114 . 17 1 1 A 17 17 THR H H 17 9.285 8.126 1.159 1
1 115 . 17 1 1 A 17 17 THR CA C 17 65.157 63.605 1.552 1
1 116 . 17 1 1 A 17 17 THR HA H 17 4.191 4.441 -0.250 1
1 117 . 17 1 1 A 17 17 THR CB C 17 69.826 70.699 -0.873 1
1 123 . 17 1 1 A 17 17 THR C C 17 174.022 175.656 -1.634 1
1 124 . 17 1 1 A 18 18 CYS N N 18 121.187 115.076 6.111 1
1 125 . 17 1 1 A 18 18 CYS H H 18 8.128 8.043 0.085 1
1 126 . 17 1 1 A 18 18 CYS CA C 18 58.215 58.095 0.120 1
1 127 . 17 1 1 A 18 18 CYS HA H 18 5.105 4.573 0.532 1
1 128 . 17 1 1 A 18 18 CYS CB C 18 31.519 27.614 3.905 1
1 130 . 17 1 1 A 18 18 CYS C C 18 174.129 174.023 0.106 1
1 132 . 17 1 1 A 19 19 ASP N N 19 118.150 117.238 0.912 1
1 133 . 17 1 1 A 19 19 ASP H H 19 8.128 7.690 0.438 1
1 134 . 17 1 1 A 19 19 ASP CA C 19 55.559 55.483 0.076 1
1 135 . 17 1 1 A 19 19 ASP HA H 19 4.588 4.195 0.393 1
1 136 . 17 1 1 A 19 19 ASP CB C 19 40.878 39.004 1.874 1
1 138 . 17 1 1 A 19 19 ASP C C 19 175.850 174.802 1.048 1
1 140 . 17 1 1 A 20 20 LYS N N 20 121.871 117.492 4.379 1
1 141 . 17 1 1 A 20 20 LYS H H 20 8.112 7.130 0.982 1
1 142 . 17 1 1 A 20 20 LYS CA C 20 57.660 54.422 3.238 1
1 143 . 17 1 1 A 20 20 LYS HA H 20 4.099 4.914 -0.815 1
1 144 . 17 1 1 A 20 20 LYS CB C 20 34.026 35.419 -1.393 1
1 152 . 17 1 1 A 20 20 LYS C C 20 174.727 175.252 -0.525 1
1 157 . 17 1 1 A 21 21 SER N N 21 114.588 112.836 1.752 1
1 158 . 17 1 1 A 21 21 SER H H 21 7.743 8.398 -0.655 1
1 159 . 17 1 1 A 21 21 SER CA C 21 56.845 57.062 -0.217 1
1 160 . 17 1 1 A 21 21 SER HA H 21 5.224 5.427 -0.203 1
1 161 . 17 1 1 A 21 21 SER CB C 21 66.180 66.211 -0.031 1
1 163 . 17 1 1 A 21 21 SER C C 21 172.795 172.584 0.211 1
1 165 . 17 1 1 A 22 22 PHE N N 22 117.192 118.616 -1.424 1
1 166 . 17 1 1 A 22 22 PHE H H 22 8.783 8.681 0.102 1
1 167 . 17 1 1 A 22 22 PHE CA C 22 57.524 56.614 0.910 1
1 168 . 17 1 1 A 22 22 PHE HA H 22 4.727 4.869 -0.142 1
1 169 . 17 1 1 A 22 22 PHE CB C 22 44.051 43.754 0.297 1
1 181 . 17 1 1 A 22 22 PHE C C 22 175.101 175.428 -0.327 1
1 183 . 17 1 1 A 23 23 ARG N N 23 120.595 121.966 -1.371 1
1 184 . 17 1 1 A 23 23 ARG H H 23 9.190 8.859 0.331 1
1 185 . 17 1 1 A 23 23 ARG CA C 23 58.140 57.162 0.978 1
1 186 . 17 1 1 A 23 23 ARG HA H 23 4.541 4.571 -0.030 1
1 187 . 17 1 1 A 23 23 ARG CB C 23 31.352 31.416 -0.064 1
1 193 . 17 1 1 A 23 23 ARG C C 23 175.992 175.511 0.481 1
1 197 . 17 1 1 A 24 24 GLN N N 24 113.055 118.683 -5.628 1
1 198 . 17 1 1 A 24 24 GLN H H 24 7.538 7.502 0.036 1
1 199 . 17 1 1 A 24 24 GLN CA C 24 53.944 54.904 -0.960 1
1 200 . 17 1 1 A 24 24 GLN HA H 24 4.792 4.391 0.401 1
1 201 . 17 1 1 A 24 24 GLN CB C 24 31.991 30.053 1.938 1
1 208 . 17 1 1 A 24 24 GLN C C 24 175.828 175.335 0.493 1
1 211 . 17 1 1 A 25 25 ARG N N 25 126.893 125.663 1.230 1
1 212 . 17 1 1 A 25 25 ARG H H 25 8.562 8.683 -0.121 1
1 213 . 17 1 1 A 25 25 ARG CA C 25 59.274 58.586 0.688 1
1 214 . 17 1 1 A 25 25 ARG HA H 25 2.955 3.157 -0.202 1
1 215 . 17 1 1 A 25 25 ARG CB C 25 29.418 29.822 -0.404 1
1 221 . 17 1 1 A 25 25 ARG C C 25 178.032 177.224 0.808 1
1 225 . 17 1 1 A 26 26 SER CA C 26 60.900 60.746 0.154 1
1 226 . 17 1 1 A 26 26 SER HA H 26 3.990 4.154 -0.164 1
1 227 . 17 1 1 A 26 26 SER CB C 26 61.349 62.735 -1.386 1
1 229 . 17 1 1 A 26 26 SER C C 26 176.508 176.257 0.251 1
1 231 . 17 1 1 A 27 27 ALA N N 27 124.883 121.781 3.102 1
1 232 . 17 1 1 A 27 27 ALA H H 27 6.637 7.880 -1.243 1
1 233 . 17 1 1 A 27 27 ALA CA C 27 54.234 54.003 0.231 1
1 234 . 17 1 1 A 27 27 ALA HA H 27 4.143 4.166 -0.023 1
1 235 . 17 1 1 A 27 27 ALA CB C 27 19.102 18.821 0.281 1
1 239 . 17 1 1 A 27 27 ALA C C 27 179.857 178.962 0.895 1
1 240 . 17 1 1 A 28 28 LEU N N 28 120.865 119.848 1.017 1
1 241 . 17 1 1 A 28 28 LEU H H 28 6.980 7.350 -0.370 1
1 242 . 17 1 1 A 28 28 LEU CA C 28 57.651 56.349 1.302 1
1 243 . 17 1 1 A 28 28 LEU HA H 28 3.201 2.987 0.214 1
1 244 . 17 1 1 A 28 28 LEU CB C 28 40.193 42.096 -1.903 1
1 256 . 17 1 1 A 28 28 LEU C C 28 177.607 178.404 -0.797 1
1 258 . 17 1 1 A 29 29 ASN N N 29 117.824 116.813 1.011 1
1 259 . 17 1 1 A 29 29 ASN H H 29 8.364 8.355 0.009 1
1 260 . 17 1 1 A 29 29 ASN CA C 29 56.041 56.128 -0.087 1
1 261 . 17 1 1 A 29 29 ASN HA H 29 4.291 4.361 -0.070 1
1 262 . 17 1 1 A 29 29 ASN CB C 29 37.208 38.226 -1.018 1
1 267 . 17 1 1 A 29 29 ASN C C 29 178.174 177.270 0.904 1
1 269 . 17 1 1 A 30 30 SER N N 30 114.405 116.814 -2.409 1
1 270 . 17 1 1 A 30 30 SER H H 30 7.817 7.772 0.045 1
1 271 . 17 1 1 A 30 30 SER CA C 30 61.429 61.944 -0.515 1
1 272 . 17 1 1 A 30 30 SER HA H 30 4.211 4.237 -0.026 1
1 273 . 17 1 1 A 30 30 SER CB C 30 62.626 63.292 -0.666 1
1 275 . 17 1 1 A 30 30 SER C C 30 176.722 176.152 0.570 1
1 277 . 17 1 1 A 31 31 HIS N N 31 121.832 121.821 0.011 1
1 278 . 17 1 1 A 31 31 HIS H H 31 7.642 7.365 0.277 1
1 279 . 17 1 1 A 31 31 HIS CA C 31 59.238 59.707 -0.469 1
1 280 . 17 1 1 A 31 31 HIS HA H 31 4.197 4.096 0.101 1
1 281 . 17 1 1 A 31 31 HIS CB C 31 28.523 29.157 -0.634 1
1 287 . 17 1 1 A 31 31 HIS C C 31 176.289 177.292 -1.003 1
1 289 . 17 1 1 A 32 32 ARG N N 32 115.403 118.411 -3.008 1
1 290 . 17 1 1 A 32 32 ARG H H 32 8.369 8.297 0.072 1
1 291 . 17 1 1 A 32 32 ARG CA C 32 59.823 59.712 0.111 1
1 292 . 17 1 1 A 32 32 ARG HA H 32 3.681 3.964 -0.283 1
1 293 . 17 1 1 A 32 32 ARG CB C 32 30.134 29.741 0.393 1
1 299 . 17 1 1 A 32 32 ARG C C 32 177.770 178.795 -1.025 1
1 303 . 17 1 1 A 33 33 MET N N 33 116.194 119.112 -2.918 1
1 304 . 17 1 1 A 33 33 MET H H 33 7.101 7.960 -0.859 1
1 305 . 17 1 1 A 33 33 MET CA C 33 57.585 58.457 -0.872 1
1 306 . 17 1 1 A 33 33 MET HA H 33 4.275 4.126 0.149 1
1 307 . 17 1 1 A 33 33 MET CB C 33 32.092 32.974 -0.882 1
1 315 . 17 1 1 A 33 33 MET C C 33 178.400 178.096 0.304 1
1 318 . 17 1 1 A 34 34 ILE N N 34 116.686 117.018 -0.332 1
1 319 . 17 1 1 A 34 34 ILE H H 34 7.842 7.326 0.516 1
1 320 . 17 1 1 A 34 34 ILE CA C 34 63.035 64.112 -1.077 1
1 321 . 17 1 1 A 34 34 ILE HA H 34 4.015 3.716 0.299 1
1 322 . 17 1 1 A 34 34 ILE CB C 34 37.667 37.237 0.430 1
1 334 . 17 1 1 A 34 34 ILE C C 34 177.407 177.597 -0.190 1
1 336 . 17 1 1 A 35 35 HIS N N 35 117.537 120.802 -3.265 1
1 337 . 17 1 1 A 35 35 HIS H H 35 7.269 7.075 0.194 1
1 338 . 17 1 1 A 35 35 HIS CA C 35 55.138 59.513 -4.375 1
1 339 . 17 1 1 A 35 35 HIS HA H 35 4.896 4.410 0.486 1
1 340 . 17 1 1 A 35 35 HIS CB C 35 28.592 30.541 -1.949 1
1 346 . 17 1 1 A 35 35 HIS C C 35 175.843 178.208 -2.365 1
1 348 . 17 1 1 A 36 36 THR N N 36 111.953 113.119 -1.166 1
1 349 . 17 1 1 A 36 36 THR H H 36 7.782 7.878 -0.096 1
1 350 . 17 1 1 A 36 36 THR CA C 36 62.695 64.204 -1.509 1
1 351 . 17 1 1 A 36 36 THR HA H 36 4.338 4.066 0.272 1
1 352 . 17 1 1 A 36 36 THR CB C 36 69.805 69.959 -0.154 1
1 358 . 17 1 1 A 36 36 THR C C 36 175.459 174.512 0.947 1
1 359 . 17 1 1 A 37 37 GLY N N 37 110.774 109.975 0.799 1
1 360 . 17 1 1 A 37 37 GLY H H 37 8.280 7.398 0.882 1
1 361 . 17 1 1 A 37 37 GLY CA C 37 45.403 44.954 0.449 1
1 362 . 17 1 1 A 37 37 GLY HA3 H 37 3.973 4.058 -0.085 1
1 363 . 17 1 1 A 37 37 GLY C C 37 174.049 172.990 1.059 1
1 364 . 17 1 1 A 37 37 GLY HA2 H 37 4.038 4.047 -0.009 1
1 365 . 17 1 1 A 38 38 GLU N N 38 120.547 117.030 3.517 1
1 366 . 17 1 1 A 38 38 GLU H H 38 8.047 8.361 -0.314 1
1 367 . 17 1 1 A 38 38 GLU CA C 38 56.525 54.402 2.123 1
1 368 . 17 1 1 A 38 38 GLU HA H 38 4.258 5.216 -0.958 1
1 369 . 17 1 1 A 38 38 GLU CB C 38 30.671 34.242 -3.571 1
1 373 . 17 1 1 A 38 38 GLU C C 38 176.086 174.406 1.680 1
1 376 . 17 1 1 A 39 39 LYS N N 39 123.461 118.054 5.407 1
1 377 . 17 1 1 A 39 39 LYS H H 39 8.380 8.699 -0.319 1
1 378 . 17 1 1 A 39 39 LYS CA C 39 54.014 54.976 -0.962 1
1 379 . 17 1 1 A 39 39 LYS HA H 39 4.634 4.826 -0.192 1
1 380 . 17 1 1 A 39 39 LYS CB C 39 32.650 35.364 -2.714 1
1 388 . 17 1 1 A 39 39 LYS C C 39 174.430 175.979 -1.549 1
1 393 . 17 1 1 A 40 40 PRO CA C 40 63.204 64.995 -1.791 1
1 394 . 17 1 1 A 40 40 PRO HA H 40 4.473 4.375 0.098 1
1 395 . 17 1 1 A 40 40 PRO CB C 40 32.203 32.017 0.186 1
1 401 . 17 1 1 A 40 40 PRO C C 40 176.955 177.268 -0.313 1
1 405 . 17 1 1 A 41 41 SER N N 41 116.471 110.863 5.608 1
1 406 . 17 1 1 A 41 41 SER H H 41 8.474 7.759 0.715 1
1 407 . 17 1 1 A 41 41 SER CA C 41 58.351 59.618 -1.267 1
1 408 . 17 1 1 A 41 41 SER HA H 41 4.449 4.354 0.095 1
1 409 . 17 1 1 A 41 41 SER CB C 41 64.036 62.962 1.074 1
1 411 . 17 1 1 A 41 41 SER C C 41 174.649 174.426 0.223 1
1 413 . 17 1 1 A 42 42 GLY N N 42 110.620 110.380 0.240 1
1 414 . 17 1 1 A 42 42 GLY H H 42 8.230 8.531 -0.301 1
1 415 . 17 1 1 A 42 42 GLY CA C 42 44.661 44.492 0.169 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.410 44.409 1.001 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 4.029 4.062 -0.033 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.333 174.719 -0.386 1
1 4 . 18 1 1 A 7 7 GLY HA2 H 7 4.029 4.061 -0.032 1
1 5 . 18 1 1 A 8 8 THR N N 8 113.596 116.453 -2.857 1
1 6 . 18 1 1 A 8 8 THR H H 8 8.037 8.562 -0.525 1
1 7 . 18 1 1 A 8 8 THR CA C 8 61.631 63.747 -2.116 1
1 8 . 18 1 1 A 8 8 THR HA H 8 4.339 4.495 -0.156 1
1 9 . 18 1 1 A 8 8 THR CB C 8 70.027 71.182 -1.155 1
1 15 . 18 1 1 A 8 8 THR C C 8 174.408 173.457 0.951 1
1 16 . 18 1 1 A 9 9 ALA N N 9 125.919 121.591 4.328 1
1 17 . 18 1 1 A 9 9 ALA H H 9 8.319 7.788 0.531 1
1 18 . 18 1 1 A 9 9 ALA CA C 9 52.725 50.695 2.030 1
1 19 . 18 1 1 A 9 9 ALA HA H 9 4.265 4.609 -0.344 1
1 20 . 18 1 1 A 9 9 ALA CB C 9 19.143 21.071 -1.928 1
1 24 . 18 1 1 A 9 9 ALA C C 9 177.703 177.810 -0.107 1
1 25 . 18 1 1 A 10 10 GLU N N 10 119.726 123.391 -3.665 1
1 26 . 18 1 1 A 10 10 GLU H H 10 8.258 8.675 -0.417 1
1 27 . 18 1 1 A 10 10 GLU CA C 10 57.161 59.063 -1.902 1
1 28 . 18 1 1 A 10 10 GLU HA H 10 4.130 4.133 -0.003 1
1 29 . 18 1 1 A 10 10 GLU CB C 10 30.255 29.183 1.072 1
1 33 . 18 1 1 A 10 10 GLU C C 10 176.212 176.649 -0.437 1
1 36 . 18 1 1 A 11 11 LYS N N 11 120.765 120.577 0.188 1
1 37 . 18 1 1 A 11 11 LYS H H 11 8.078 8.001 0.077 1
1 38 . 18 1 1 A 11 11 LYS CA C 11 53.786 53.267 0.519 1
1 39 . 18 1 1 A 11 11 LYS HA H 11 4.509 4.774 -0.265 1
1 40 . 18 1 1 A 11 11 LYS CB C 11 32.725 33.818 -1.093 1
1 48 . 18 1 1 A 11 11 LYS C C 11 174.027 176.411 -2.384 1
1 53 . 18 1 1 A 12 12 PRO CA C 12 63.494 64.510 -1.016 1
1 54 . 18 1 1 A 12 12 PRO HA H 12 4.266 4.293 -0.027 1
1 55 . 18 1 1 A 12 12 PRO CB C 12 32.363 31.770 0.593 1
1 61 . 18 1 1 A 12 12 PRO C C 12 176.390 176.037 0.353 1
1 65 . 18 1 1 A 13 13 PHE N N 13 118.125 118.511 -0.386 1
1 66 . 18 1 1 A 13 13 PHE H H 13 7.951 7.647 0.304 1
1 67 . 18 1 1 A 13 13 PHE CA C 13 57.351 57.374 -0.023 1
1 68 . 18 1 1 A 13 13 PHE HA H 13 4.712 5.002 -0.290 1
1 69 . 18 1 1 A 13 13 PHE CB C 13 39.241 41.178 -1.937 1
1 81 . 18 1 1 A 13 13 PHE C C 13 174.556 175.045 -0.489 1
1 83 . 18 1 1 A 14 14 ARG N N 14 125.116 122.414 2.702 1
1 84 . 18 1 1 A 14 14 ARG H H 14 8.683 8.811 -0.128 1
1 85 . 18 1 1 A 14 14 ARG CA C 14 55.114 55.327 -0.213 1
1 86 . 18 1 1 A 14 14 ARG HA H 14 4.811 5.182 -0.371 1
1 87 . 18 1 1 A 14 14 ARG CB C 14 32.743 34.093 -1.350 1
1 93 . 18 1 1 A 14 14 ARG C C 14 175.152 174.219 0.933 1
1 97 . 18 1 1 A 15 15 CYS N N 15 126.627 124.438 2.189 1
1 98 . 18 1 1 A 15 15 CYS H H 15 8.950 9.355 -0.405 1
1 99 . 18 1 1 A 15 15 CYS CA C 15 60.705 58.302 2.403 1
1 100 . 18 1 1 A 15 15 CYS HA H 15 4.445 4.893 -0.448 1
1 101 . 18 1 1 A 15 15 CYS CB C 15 29.486 29.303 0.183 1
1 103 . 18 1 1 A 15 15 CYS C C 15 175.282 176.062 -0.780 1
1 105 . 18 1 1 A 16 16 ASP N N 16 127.711 124.880 2.831 1
1 106 . 18 1 1 A 16 16 ASP H H 16 9.030 9.078 -0.048 1
1 107 . 18 1 1 A 16 16 ASP CA C 16 55.559 54.279 1.280 1
1 108 . 18 1 1 A 16 16 ASP HA H 16 4.588 4.568 0.020 1
1 109 . 18 1 1 A 16 16 ASP CB C 16 40.455 40.112 0.343 1
1 111 . 18 1 1 A 16 16 ASP C C 16 176.634 175.076 1.558 1
1 113 . 18 1 1 A 17 17 THR N N 17 119.919 111.499 8.420 1
1 114 . 18 1 1 A 17 17 THR H H 17 9.285 8.056 1.229 1
1 115 . 18 1 1 A 17 17 THR CA C 17 65.157 63.784 1.373 1
1 116 . 18 1 1 A 17 17 THR HA H 17 4.191 4.425 -0.234 1
1 117 . 18 1 1 A 17 17 THR CB C 17 69.826 70.519 -0.693 1
1 123 . 18 1 1 A 17 17 THR C C 17 174.022 175.717 -1.695 1
1 124 . 18 1 1 A 18 18 CYS N N 18 121.187 114.843 6.344 1
1 125 . 18 1 1 A 18 18 CYS H H 18 8.128 8.023 0.105 1
1 126 . 18 1 1 A 18 18 CYS CA C 18 58.215 57.928 0.287 1
1 127 . 18 1 1 A 18 18 CYS HA H 18 5.105 4.551 0.554 1
1 128 . 18 1 1 A 18 18 CYS CB C 18 31.519 27.244 4.275 1
1 130 . 18 1 1 A 18 18 CYS C C 18 174.129 174.614 -0.485 1
1 132 . 18 1 1 A 19 19 ASP N N 19 118.150 119.573 -1.423 1
1 133 . 18 1 1 A 19 19 ASP H H 19 8.128 8.189 -0.061 1
1 134 . 18 1 1 A 19 19 ASP CA C 19 55.559 54.910 0.649 1
1 135 . 18 1 1 A 19 19 ASP HA H 19 4.588 4.333 0.255 1
1 136 . 18 1 1 A 19 19 ASP CB C 19 40.878 38.479 2.399 1
1 138 . 18 1 1 A 19 19 ASP C C 19 175.850 175.025 0.825 1
1 140 . 18 1 1 A 20 20 LYS N N 20 121.871 119.620 2.251 1
1 141 . 18 1 1 A 20 20 LYS H H 20 8.112 7.248 0.864 1
1 142 . 18 1 1 A 20 20 LYS CA C 20 57.660 54.446 3.214 1
1 143 . 18 1 1 A 20 20 LYS HA H 20 4.099 4.877 -0.778 1
1 144 . 18 1 1 A 20 20 LYS CB C 20 34.026 35.317 -1.291 1
1 152 . 18 1 1 A 20 20 LYS C C 20 174.727 175.123 -0.396 1
1 157 . 18 1 1 A 21 21 SER N N 21 114.588 112.895 1.693 1
1 158 . 18 1 1 A 21 21 SER H H 21 7.743 8.344 -0.601 1
1 159 . 18 1 1 A 21 21 SER CA C 21 56.845 57.201 -0.356 1
1 160 . 18 1 1 A 21 21 SER HA H 21 5.224 5.377 -0.153 1
1 161 . 18 1 1 A 21 21 SER CB C 21 66.180 66.164 0.016 1
1 163 . 18 1 1 A 21 21 SER C C 21 172.795 172.460 0.335 1
1 165 . 18 1 1 A 22 22 PHE N N 22 117.192 118.685 -1.493 1
1 166 . 18 1 1 A 22 22 PHE H H 22 8.783 8.692 0.091 1
1 167 . 18 1 1 A 22 22 PHE CA C 22 57.524 56.890 0.634 1
1 168 . 18 1 1 A 22 22 PHE HA H 22 4.727 4.902 -0.175 1
1 169 . 18 1 1 A 22 22 PHE CB C 22 44.051 43.615 0.436 1
1 181 . 18 1 1 A 22 22 PHE C C 22 175.101 175.783 -0.682 1
1 183 . 18 1 1 A 23 23 ARG N N 23 120.595 120.224 0.371 1
1 184 . 18 1 1 A 23 23 ARG H H 23 9.190 8.928 0.262 1
1 185 . 18 1 1 A 23 23 ARG CA C 23 58.140 57.021 1.119 1
1 186 . 18 1 1 A 23 23 ARG HA H 23 4.541 4.737 -0.196 1
1 187 . 18 1 1 A 23 23 ARG CB C 23 31.352 32.062 -0.710 1
1 193 . 18 1 1 A 23 23 ARG C C 23 175.992 176.055 -0.063 1
1 197 . 18 1 1 A 24 24 GLN N N 24 113.055 118.431 -5.376 1
1 198 . 18 1 1 A 24 24 GLN H H 24 7.538 7.502 0.036 1
1 199 . 18 1 1 A 24 24 GLN CA C 24 53.944 54.832 -0.888 1
1 200 . 18 1 1 A 24 24 GLN HA H 24 4.792 4.426 0.366 1
1 201 . 18 1 1 A 24 24 GLN CB C 24 31.991 30.381 1.610 1
1 208 . 18 1 1 A 24 24 GLN C C 24 175.828 175.283 0.545 1
1 211 . 18 1 1 A 25 25 ARG N N 25 126.893 125.739 1.154 1
1 212 . 18 1 1 A 25 25 ARG H H 25 8.562 8.639 -0.077 1
1 213 . 18 1 1 A 25 25 ARG CA C 25 59.274 58.427 0.847 1
1 214 . 18 1 1 A 25 25 ARG HA H 25 2.955 3.153 -0.198 1
1 215 . 18 1 1 A 25 25 ARG CB C 25 29.418 29.753 -0.335 1
1 221 . 18 1 1 A 25 25 ARG C C 25 178.032 176.999 1.033 1
1 225 . 18 1 1 A 26 26 SER CA C 26 60.900 60.752 0.148 1
1 226 . 18 1 1 A 26 26 SER HA H 26 3.990 4.134 -0.144 1
1 227 . 18 1 1 A 26 26 SER CB C 26 61.349 62.799 -1.450 1
1 229 . 18 1 1 A 26 26 SER C C 26 176.508 176.340 0.168 1
1 231 . 18 1 1 A 27 27 ALA N N 27 124.883 121.710 3.173 1
1 232 . 18 1 1 A 27 27 ALA H H 27 6.637 7.924 -1.287 1
1 233 . 18 1 1 A 27 27 ALA CA C 27 54.234 53.950 0.284 1
1 234 . 18 1 1 A 27 27 ALA HA H 27 4.143 4.132 0.011 1
1 235 . 18 1 1 A 27 27 ALA CB C 27 19.102 18.829 0.273 1
1 239 . 18 1 1 A 27 27 ALA C C 27 179.857 178.841 1.016 1
1 240 . 18 1 1 A 28 28 LEU N N 28 120.865 119.829 1.036 1
1 241 . 18 1 1 A 28 28 LEU H H 28 6.980 7.258 -0.278 1
1 242 . 18 1 1 A 28 28 LEU CA C 28 57.651 56.304 1.347 1
1 243 . 18 1 1 A 28 28 LEU HA H 28 3.201 3.198 0.003 1
1 244 . 18 1 1 A 28 28 LEU CB C 28 40.193 42.170 -1.977 1
1 256 . 18 1 1 A 28 28 LEU C C 28 177.607 178.317 -0.710 1
1 258 . 18 1 1 A 29 29 ASN N N 29 117.824 117.098 0.726 1
1 259 . 18 1 1 A 29 29 ASN H H 29 8.364 8.351 0.013 1
1 260 . 18 1 1 A 29 29 ASN CA C 29 56.041 56.043 -0.002 1
1 261 . 18 1 1 A 29 29 ASN HA H 29 4.291 4.395 -0.104 1
1 262 . 18 1 1 A 29 29 ASN CB C 29 37.208 38.479 -1.271 1
1 267 . 18 1 1 A 29 29 ASN C C 29 178.174 177.046 1.128 1
1 269 . 18 1 1 A 30 30 SER N N 30 114.405 115.141 -0.736 1
1 270 . 18 1 1 A 30 30 SER H H 30 7.817 7.703 0.114 1
1 271 . 18 1 1 A 30 30 SER CA C 30 61.429 61.041 0.388 1
1 272 . 18 1 1 A 30 30 SER HA H 30 4.211 4.382 -0.171 1
1 273 . 18 1 1 A 30 30 SER CB C 30 62.626 63.235 -0.609 1
1 275 . 18 1 1 A 30 30 SER C C 30 176.722 176.753 -0.031 1
1 277 . 18 1 1 A 31 31 HIS N N 31 121.832 120.792 1.040 1
1 278 . 18 1 1 A 31 31 HIS H H 31 7.642 7.387 0.255 1
1 279 . 18 1 1 A 31 31 HIS CA C 31 59.238 59.887 -0.649 1
1 280 . 18 1 1 A 31 31 HIS HA H 31 4.197 4.072 0.125 1
1 281 . 18 1 1 A 31 31 HIS CB C 31 28.523 29.297 -0.774 1
1 287 . 18 1 1 A 31 31 HIS C C 31 176.289 177.356 -1.067 1
1 289 . 18 1 1 A 32 32 ARG N N 32 115.403 118.364 -2.961 1
1 290 . 18 1 1 A 32 32 ARG H H 32 8.369 8.284 0.085 1
1 291 . 18 1 1 A 32 32 ARG CA C 32 59.823 59.781 0.042 1
1 292 . 18 1 1 A 32 32 ARG HA H 32 3.681 4.009 -0.328 1
1 293 . 18 1 1 A 32 32 ARG CB C 32 30.134 29.741 0.393 1
1 299 . 18 1 1 A 32 32 ARG C C 32 177.770 179.116 -1.346 1
1 303 . 18 1 1 A 33 33 MET N N 33 116.194 119.124 -2.930 1
1 304 . 18 1 1 A 33 33 MET H H 33 7.101 7.868 -0.767 1
1 305 . 18 1 1 A 33 33 MET CA C 33 57.585 58.276 -0.691 1
1 306 . 18 1 1 A 33 33 MET HA H 33 4.275 4.154 0.121 1
1 307 . 18 1 1 A 33 33 MET CB C 33 32.092 32.751 -0.659 1
1 315 . 18 1 1 A 33 33 MET C C 33 178.400 178.113 0.287 1
1 318 . 18 1 1 A 34 34 ILE N N 34 116.686 116.612 0.074 1
1 319 . 18 1 1 A 34 34 ILE H H 34 7.842 7.814 0.028 1
1 320 . 18 1 1 A 34 34 ILE CA C 34 63.035 63.763 -0.728 1
1 321 . 18 1 1 A 34 34 ILE HA H 34 4.015 3.784 0.231 1
1 322 . 18 1 1 A 34 34 ILE CB C 34 37.667 37.334 0.333 1
1 334 . 18 1 1 A 34 34 ILE C C 34 177.407 176.828 0.579 1
1 336 . 18 1 1 A 35 35 HIS N N 35 117.537 119.366 -1.829 1
1 337 . 18 1 1 A 35 35 HIS H H 35 7.269 7.134 0.135 1
1 338 . 18 1 1 A 35 35 HIS CA C 35 55.138 54.953 0.185 1
1 339 . 18 1 1 A 35 35 HIS HA H 35 4.896 4.683 0.213 1
1 340 . 18 1 1 A 35 35 HIS CB C 35 28.592 28.090 0.502 1
1 346 . 18 1 1 A 35 35 HIS C C 35 175.843 173.935 1.908 1
1 348 . 18 1 1 A 36 36 THR N N 36 111.953 109.700 2.253 1
1 349 . 18 1 1 A 36 36 THR H H 36 7.782 7.413 0.369 1
1 350 . 18 1 1 A 36 36 THR CA C 36 62.695 59.563 3.132 1
1 351 . 18 1 1 A 36 36 THR HA H 36 4.338 4.776 -0.438 1
1 352 . 18 1 1 A 36 36 THR CB C 36 69.805 71.658 -1.853 1
1 358 . 18 1 1 A 36 36 THR C C 36 175.459 173.103 2.356 1
1 359 . 18 1 1 A 37 37 GLY N N 37 110.774 108.415 2.359 1
1 360 . 18 1 1 A 37 37 GLY H H 37 8.280 8.243 0.037 1
1 361 . 18 1 1 A 37 37 GLY CA C 37 45.403 45.911 -0.508 1
1 362 . 18 1 1 A 37 37 GLY HA3 H 37 3.973 4.022 -0.049 1
1 363 . 18 1 1 A 37 37 GLY C C 37 174.049 174.213 -0.164 1
1 364 . 18 1 1 A 37 37 GLY HA2 H 37 4.038 4.021 0.017 1
1 365 . 18 1 1 A 38 38 GLU N N 38 120.547 124.396 -3.849 1
1 366 . 18 1 1 A 38 38 GLU H H 38 8.047 8.479 -0.432 1
1 367 . 18 1 1 A 38 38 GLU CA C 38 56.525 56.247 0.278 1
1 368 . 18 1 1 A 38 38 GLU HA H 38 4.258 4.332 -0.074 1
1 369 . 18 1 1 A 38 38 GLU CB C 38 30.671 28.640 2.031 1
1 373 . 18 1 1 A 38 38 GLU C C 38 176.086 175.970 0.116 1
1 376 . 18 1 1 A 39 39 LYS N N 39 123.461 120.112 3.349 1
1 377 . 18 1 1 A 39 39 LYS H H 39 8.380 7.679 0.701 1
1 378 . 18 1 1 A 39 39 LYS CA C 39 54.014 53.683 0.331 1
1 379 . 18 1 1 A 39 39 LYS HA H 39 4.634 4.898 -0.264 1
1 380 . 18 1 1 A 39 39 LYS CB C 39 32.650 33.160 -0.510 1
1 388 . 18 1 1 A 39 39 LYS C C 39 174.430 174.941 -0.511 1
1 393 . 18 1 1 A 40 40 PRO CA C 40 63.204 64.454 -1.250 1
1 394 . 18 1 1 A 40 40 PRO HA H 40 4.473 4.506 -0.033 1
1 395 . 18 1 1 A 40 40 PRO CB C 40 32.203 31.723 0.480 1
1 401 . 18 1 1 A 40 40 PRO C C 40 176.955 177.073 -0.118 1
1 405 . 18 1 1 A 41 41 SER N N 41 116.471 113.495 2.976 1
1 406 . 18 1 1 A 41 41 SER H H 41 8.474 7.797 0.677 1
1 407 . 18 1 1 A 41 41 SER CA C 41 58.351 59.497 -1.146 1
1 408 . 18 1 1 A 41 41 SER HA H 41 4.449 4.309 0.140 1
1 409 . 18 1 1 A 41 41 SER CB C 41 64.036 62.483 1.553 1
1 411 . 18 1 1 A 41 41 SER C C 41 174.649 174.580 0.069 1
1 413 . 18 1 1 A 42 42 GLY N N 42 110.620 116.834 -6.214 1
1 414 . 18 1 1 A 42 42 GLY H H 42 8.230 8.612 -0.382 1
1 415 . 18 1 1 A 42 42 GLY CA C 42 44.661 44.598 0.063 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.410 45.884 -0.474 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 4.029 3.906 0.123 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.333 175.041 -0.708 1
1 4 . 19 1 1 A 7 7 GLY HA2 H 7 4.029 3.905 0.124 1
1 5 . 19 1 1 A 8 8 THR N N 8 113.596 118.448 -4.852 1
1 6 . 19 1 1 A 8 8 THR H H 8 8.037 8.770 -0.733 1
1 7 . 19 1 1 A 8 8 THR CA C 8 61.631 64.597 -2.966 1
1 8 . 19 1 1 A 8 8 THR HA H 8 4.339 4.107 0.232 1
1 9 . 19 1 1 A 8 8 THR CB C 8 70.027 69.931 0.096 1
1 15 . 19 1 1 A 8 8 THR C C 8 174.408 174.333 0.075 1
1 16 . 19 1 1 A 9 9 ALA N N 9 125.919 119.755 6.164 1
1 17 . 19 1 1 A 9 9 ALA H H 9 8.319 7.497 0.822 1
1 18 . 19 1 1 A 9 9 ALA CA C 9 52.725 51.718 1.007 1
1 19 . 19 1 1 A 9 9 ALA HA H 9 4.265 4.469 -0.204 1
1 20 . 19 1 1 A 9 9 ALA CB C 9 19.143 22.174 -3.031 1
1 24 . 19 1 1 A 9 9 ALA C C 9 177.703 177.174 0.529 1
1 25 . 19 1 1 A 10 10 GLU N N 10 119.726 120.453 -0.727 1
1 26 . 19 1 1 A 10 10 GLU H H 10 8.258 8.858 -0.600 1
1 27 . 19 1 1 A 10 10 GLU CA C 10 57.161 58.287 -1.126 1
1 28 . 19 1 1 A 10 10 GLU HA H 10 4.130 4.182 -0.052 1
1 29 . 19 1 1 A 10 10 GLU CB C 10 30.255 29.225 1.030 1
1 33 . 19 1 1 A 10 10 GLU C C 10 176.212 176.274 -0.062 1
1 36 . 19 1 1 A 11 11 LYS N N 11 120.765 120.874 -0.109 1
1 37 . 19 1 1 A 11 11 LYS H H 11 8.078 7.661 0.417 1
1 38 . 19 1 1 A 11 11 LYS CA C 11 53.786 53.351 0.435 1
1 39 . 19 1 1 A 11 11 LYS HA H 11 4.509 4.762 -0.253 1
1 40 . 19 1 1 A 11 11 LYS CB C 11 32.725 33.886 -1.161 1
1 48 . 19 1 1 A 11 11 LYS C C 11 174.027 176.399 -2.372 1
1 53 . 19 1 1 A 12 12 PRO CA C 12 63.494 64.467 -0.973 1
1 54 . 19 1 1 A 12 12 PRO HA H 12 4.266 4.313 -0.047 1
1 55 . 19 1 1 A 12 12 PRO CB C 12 32.363 31.777 0.586 1
1 61 . 19 1 1 A 12 12 PRO C C 12 176.390 176.033 0.357 1
1 65 . 19 1 1 A 13 13 PHE N N 13 118.125 118.361 -0.236 1
1 66 . 19 1 1 A 13 13 PHE H H 13 7.951 7.639 0.312 1
1 67 . 19 1 1 A 13 13 PHE CA C 13 57.351 57.281 0.070 1
1 68 . 19 1 1 A 13 13 PHE HA H 13 4.712 5.002 -0.290 1
1 69 . 19 1 1 A 13 13 PHE CB C 13 39.241 41.256 -2.015 1
1 81 . 19 1 1 A 13 13 PHE C C 13 174.556 174.978 -0.422 1
1 83 . 19 1 1 A 14 14 ARG N N 14 125.116 122.033 3.083 1
1 84 . 19 1 1 A 14 14 ARG H H 14 8.683 8.759 -0.076 1
1 85 . 19 1 1 A 14 14 ARG CA C 14 55.114 55.433 -0.319 1
1 86 . 19 1 1 A 14 14 ARG HA H 14 4.811 5.122 -0.311 1
1 87 . 19 1 1 A 14 14 ARG CB C 14 32.743 34.126 -1.383 1
1 93 . 19 1 1 A 14 14 ARG C C 14 175.152 174.224 0.928 1
1 97 . 19 1 1 A 15 15 CYS N N 15 126.627 124.553 2.074 1
1 98 . 19 1 1 A 15 15 CYS H H 15 8.950 9.469 -0.519 1
1 99 . 19 1 1 A 15 15 CYS CA C 15 60.705 58.555 2.150 1
1 100 . 19 1 1 A 15 15 CYS HA H 15 4.445 4.772 -0.327 1
1 101 . 19 1 1 A 15 15 CYS CB C 15 29.486 28.539 0.947 1
1 103 . 19 1 1 A 15 15 CYS C C 15 175.282 176.025 -0.743 1
1 105 . 19 1 1 A 16 16 ASP N N 16 127.711 124.977 2.734 1
1 106 . 19 1 1 A 16 16 ASP H H 16 9.030 9.050 -0.020 1
1 107 . 19 1 1 A 16 16 ASP CA C 16 55.559 54.291 1.268 1
1 108 . 19 1 1 A 16 16 ASP HA H 16 4.588 4.571 0.017 1
1 109 . 19 1 1 A 16 16 ASP CB C 16 40.455 40.093 0.362 1
1 111 . 19 1 1 A 16 16 ASP C C 16 176.634 175.089 1.545 1
1 113 . 19 1 1 A 17 17 THR N N 17 119.919 111.981 7.938 1
1 114 . 19 1 1 A 17 17 THR H H 17 9.285 8.163 1.122 1
1 115 . 19 1 1 A 17 17 THR CA C 17 65.157 63.745 1.412 1
1 116 . 19 1 1 A 17 17 THR HA H 17 4.191 4.454 -0.263 1
1 117 . 19 1 1 A 17 17 THR CB C 17 69.826 70.611 -0.785 1
1 123 . 19 1 1 A 17 17 THR C C 17 174.022 175.713 -1.691 1
1 124 . 19 1 1 A 18 18 CYS N N 18 121.187 115.228 5.959 1
1 125 . 19 1 1 A 18 18 CYS H H 18 8.128 7.546 0.582 1
1 126 . 19 1 1 A 18 18 CYS CA C 18 58.215 58.078 0.137 1
1 127 . 19 1 1 A 18 18 CYS HA H 18 5.105 4.524 0.581 1
1 128 . 19 1 1 A 18 18 CYS CB C 18 31.519 27.547 3.972 1
1 130 . 19 1 1 A 18 18 CYS C C 18 174.129 174.666 -0.537 1
1 132 . 19 1 1 A 19 19 ASP N N 19 118.150 119.804 -1.654 1
1 133 . 19 1 1 A 19 19 ASP H H 19 8.128 7.792 0.336 1
1 134 . 19 1 1 A 19 19 ASP CA C 19 55.559 54.997 0.562 1
1 135 . 19 1 1 A 19 19 ASP HA H 19 4.588 4.241 0.347 1
1 136 . 19 1 1 A 19 19 ASP CB C 19 40.878 39.543 1.335 1
1 138 . 19 1 1 A 19 19 ASP C C 19 175.850 174.818 1.032 1
1 140 . 19 1 1 A 20 20 LYS N N 20 121.871 118.086 3.785 1
1 141 . 19 1 1 A 20 20 LYS H H 20 8.112 7.122 0.990 1
1 142 . 19 1 1 A 20 20 LYS CA C 20 57.660 54.467 3.193 1
1 143 . 19 1 1 A 20 20 LYS HA H 20 4.099 4.894 -0.795 1
1 144 . 19 1 1 A 20 20 LYS CB C 20 34.026 35.426 -1.400 1
1 152 . 19 1 1 A 20 20 LYS C C 20 174.727 175.257 -0.530 1
1 157 . 19 1 1 A 21 21 SER N N 21 114.588 112.452 2.136 1
1 158 . 19 1 1 A 21 21 SER H H 21 7.743 8.325 -0.582 1
1 159 . 19 1 1 A 21 21 SER CA C 21 56.845 57.309 -0.464 1
1 160 . 19 1 1 A 21 21 SER HA H 21 5.224 5.369 -0.145 1
1 161 . 19 1 1 A 21 21 SER CB C 21 66.180 66.057 0.123 1
1 163 . 19 1 1 A 21 21 SER C C 21 172.795 172.422 0.373 1
1 165 . 19 1 1 A 22 22 PHE N N 22 117.192 118.476 -1.284 1
1 166 . 19 1 1 A 22 22 PHE H H 22 8.783 9.012 -0.229 1
1 167 . 19 1 1 A 22 22 PHE CA C 22 57.524 56.755 0.769 1
1 168 . 19 1 1 A 22 22 PHE HA H 22 4.727 4.923 -0.196 1
1 169 . 19 1 1 A 22 22 PHE CB C 22 44.051 43.835 0.216 1
1 181 . 19 1 1 A 22 22 PHE C C 22 175.101 175.746 -0.645 1
1 183 . 19 1 1 A 23 23 ARG N N 23 120.595 120.188 0.407 1
1 184 . 19 1 1 A 23 23 ARG H H 23 9.190 8.956 0.234 1
1 185 . 19 1 1 A 23 23 ARG CA C 23 58.140 57.110 1.030 1
1 186 . 19 1 1 A 23 23 ARG HA H 23 4.541 4.682 -0.141 1
1 187 . 19 1 1 A 23 23 ARG CB C 23 31.352 31.780 -0.428 1
1 193 . 19 1 1 A 23 23 ARG C C 23 175.992 176.133 -0.141 1
1 197 . 19 1 1 A 24 24 GLN N N 24 113.055 118.561 -5.506 1
1 198 . 19 1 1 A 24 24 GLN H H 24 7.538 7.501 0.037 1
1 199 . 19 1 1 A 24 24 GLN CA C 24 53.944 54.957 -1.013 1
1 200 . 19 1 1 A 24 24 GLN HA H 24 4.792 4.401 0.391 1
1 201 . 19 1 1 A 24 24 GLN CB C 24 31.991 29.787 2.204 1
1 208 . 19 1 1 A 24 24 GLN C C 24 175.828 175.427 0.401 1
1 211 . 19 1 1 A 25 25 ARG N N 25 126.893 125.768 1.125 1
1 212 . 19 1 1 A 25 25 ARG H H 25 8.562 8.712 -0.150 1
1 213 . 19 1 1 A 25 25 ARG CA C 25 59.274 58.197 1.077 1
1 214 . 19 1 1 A 25 25 ARG HA H 25 2.955 3.062 -0.107 1
1 215 . 19 1 1 A 25 25 ARG CB C 25 29.418 29.826 -0.408 1
1 221 . 19 1 1 A 25 25 ARG C C 25 178.032 176.785 1.247 1
1 225 . 19 1 1 A 26 26 SER CA C 26 60.900 60.294 0.606 1
1 226 . 19 1 1 A 26 26 SER HA H 26 3.990 4.165 -0.175 1
1 227 . 19 1 1 A 26 26 SER CB C 26 61.349 63.049 -1.700 1
1 229 . 19 1 1 A 26 26 SER C C 26 176.508 176.497 0.011 1
1 231 . 19 1 1 A 27 27 ALA N N 27 124.883 121.726 3.157 1
1 232 . 19 1 1 A 27 27 ALA H H 27 6.637 7.991 -1.354 1
1 233 . 19 1 1 A 27 27 ALA CA C 27 54.234 54.117 0.117 1
1 234 . 19 1 1 A 27 27 ALA HA H 27 4.143 4.113 0.030 1
1 235 . 19 1 1 A 27 27 ALA CB C 27 19.102 18.811 0.291 1
1 239 . 19 1 1 A 27 27 ALA C C 27 179.857 178.744 1.113 1
1 240 . 19 1 1 A 28 28 LEU N N 28 120.865 119.736 1.129 1
1 241 . 19 1 1 A 28 28 LEU H H 28 6.980 7.288 -0.308 1
1 242 . 19 1 1 A 28 28 LEU CA C 28 57.651 56.496 1.155 1
1 243 . 19 1 1 A 28 28 LEU HA H 28 3.201 3.131 0.070 1
1 244 . 19 1 1 A 28 28 LEU CB C 28 40.193 42.002 -1.809 1
1 256 . 19 1 1 A 28 28 LEU C C 28 177.607 178.367 -0.760 1
1 258 . 19 1 1 A 29 29 ASN N N 29 117.824 117.058 0.766 1
1 259 . 19 1 1 A 29 29 ASN H H 29 8.364 8.092 0.272 1
1 260 . 19 1 1 A 29 29 ASN CA C 29 56.041 55.993 0.048 1
1 261 . 19 1 1 A 29 29 ASN HA H 29 4.291 4.388 -0.097 1
1 262 . 19 1 1 A 29 29 ASN CB C 29 37.208 38.451 -1.243 1
1 267 . 19 1 1 A 29 29 ASN C C 29 178.174 177.062 1.112 1
1 269 . 19 1 1 A 30 30 SER N N 30 114.405 116.087 -1.682 1
1 270 . 19 1 1 A 30 30 SER H H 30 7.817 7.691 0.126 1
1 271 . 19 1 1 A 30 30 SER CA C 30 61.429 61.434 -0.005 1
1 272 . 19 1 1 A 30 30 SER HA H 30 4.211 4.225 -0.014 1
1 273 . 19 1 1 A 30 30 SER CB C 30 62.626 63.391 -0.765 1
1 275 . 19 1 1 A 30 30 SER C C 30 176.722 176.418 0.304 1
1 277 . 19 1 1 A 31 31 HIS N N 31 121.832 121.704 0.128 1
1 278 . 19 1 1 A 31 31 HIS H H 31 7.642 7.472 0.170 1
1 279 . 19 1 1 A 31 31 HIS CA C 31 59.238 59.738 -0.500 1
1 280 . 19 1 1 A 31 31 HIS HA H 31 4.197 4.077 0.120 1
1 281 . 19 1 1 A 31 31 HIS CB C 31 28.523 29.424 -0.901 1
1 287 . 19 1 1 A 31 31 HIS C C 31 176.289 177.083 -0.794 1
1 289 . 19 1 1 A 32 32 ARG N N 32 115.403 118.312 -2.909 1
1 290 . 19 1 1 A 32 32 ARG H H 32 8.369 8.291 0.078 1
1 291 . 19 1 1 A 32 32 ARG CA C 32 59.823 59.147 0.676 1
1 292 . 19 1 1 A 32 32 ARG HA H 32 3.681 4.016 -0.335 1
1 293 . 19 1 1 A 32 32 ARG CB C 32 30.134 29.998 0.136 1
1 299 . 19 1 1 A 32 32 ARG C C 32 177.770 179.092 -1.322 1
1 303 . 19 1 1 A 33 33 MET N N 33 116.194 119.038 -2.844 1
1 304 . 19 1 1 A 33 33 MET H H 33 7.101 7.920 -0.819 1
1 305 . 19 1 1 A 33 33 MET CA C 33 57.585 58.183 -0.598 1
1 306 . 19 1 1 A 33 33 MET HA H 33 4.275 4.159 0.116 1
1 307 . 19 1 1 A 33 33 MET CB C 33 32.092 33.140 -1.048 1
1 315 . 19 1 1 A 33 33 MET C C 33 178.400 178.090 0.310 1
1 318 . 19 1 1 A 34 34 ILE N N 34 116.686 117.443 -0.757 1
1 319 . 19 1 1 A 34 34 ILE H H 34 7.842 7.789 0.053 1
1 320 . 19 1 1 A 34 34 ILE CA C 34 63.035 64.181 -1.146 1
1 321 . 19 1 1 A 34 34 ILE HA H 34 4.015 3.737 0.278 1
1 322 . 19 1 1 A 34 34 ILE CB C 34 37.667 37.242 0.425 1
1 334 . 19 1 1 A 34 34 ILE C C 34 177.407 177.736 -0.329 1
1 336 . 19 1 1 A 35 35 HIS N N 35 117.537 121.085 -3.548 1
1 337 . 19 1 1 A 35 35 HIS H H 35 7.269 7.376 -0.107 1
1 338 . 19 1 1 A 35 35 HIS CA C 35 55.138 59.601 -4.463 1
1 339 . 19 1 1 A 35 35 HIS HA H 35 4.896 4.354 0.542 1
1 340 . 19 1 1 A 35 35 HIS CB C 35 28.592 29.645 -1.053 1
1 346 . 19 1 1 A 35 35 HIS C C 35 175.843 177.815 -1.972 1
1 348 . 19 1 1 A 36 36 THR N N 36 111.953 113.107 -1.154 1
1 349 . 19 1 1 A 36 36 THR H H 36 7.782 8.151 -0.369 1
1 350 . 19 1 1 A 36 36 THR CA C 36 62.695 65.281 -2.586 1
1 351 . 19 1 1 A 36 36 THR HA H 36 4.338 4.104 0.234 1
1 352 . 19 1 1 A 36 36 THR CB C 36 69.805 68.363 1.442 1
1 358 . 19 1 1 A 36 36 THR C C 36 175.459 177.183 -1.724 1
1 359 . 19 1 1 A 37 37 GLY N N 37 110.774 111.093 -0.319 1
1 360 . 19 1 1 A 37 37 GLY H H 37 8.280 7.992 0.288 1
1 361 . 19 1 1 A 37 37 GLY CA C 37 45.403 45.026 0.377 1
1 362 . 19 1 1 A 37 37 GLY HA3 H 37 3.973 3.725 0.248 1
1 363 . 19 1 1 A 37 37 GLY C C 37 174.049 174.240 -0.191 1
1 364 . 19 1 1 A 37 37 GLY HA2 H 37 4.038 3.718 0.320 1
1 365 . 19 1 1 A 38 38 GLU N N 38 120.547 122.545 -1.998 1
1 366 . 19 1 1 A 38 38 GLU H H 38 8.047 8.383 -0.336 1
1 367 . 19 1 1 A 38 38 GLU CA C 38 56.525 56.245 0.280 1
1 368 . 19 1 1 A 38 38 GLU HA H 38 4.258 4.406 -0.148 1
1 369 . 19 1 1 A 38 38 GLU CB C 38 30.671 30.449 0.222 1
1 373 . 19 1 1 A 38 38 GLU C C 38 176.086 175.631 0.455 1
1 376 . 19 1 1 A 39 39 LYS N N 39 123.461 124.953 -1.492 1
1 377 . 19 1 1 A 39 39 LYS H H 39 8.380 8.393 -0.013 1
1 378 . 19 1 1 A 39 39 LYS CA C 39 54.014 53.497 0.517 1
1 379 . 19 1 1 A 39 39 LYS HA H 39 4.634 4.728 -0.094 1
1 380 . 19 1 1 A 39 39 LYS CB C 39 32.650 34.581 -1.931 1
1 388 . 19 1 1 A 39 39 LYS C C 39 174.430 175.958 -1.528 1
1 393 . 19 1 1 A 40 40 PRO CA C 40 63.204 64.862 -1.658 1
1 394 . 19 1 1 A 40 40 PRO HA H 40 4.473 4.352 0.121 1
1 395 . 19 1 1 A 40 40 PRO CB C 40 32.203 32.221 -0.018 1
1 401 . 19 1 1 A 40 40 PRO C C 40 176.955 178.466 -1.511 1
1 405 . 19 1 1 A 41 41 SER N N 41 116.471 110.459 6.012 1
1 406 . 19 1 1 A 41 41 SER H H 41 8.474 8.132 0.342 1
1 407 . 19 1 1 A 41 41 SER CA C 41 58.351 60.633 -2.282 1
1 408 . 19 1 1 A 41 41 SER HA H 41 4.449 4.298 0.151 1
1 409 . 19 1 1 A 41 41 SER CB C 41 64.036 63.449 0.587 1
1 411 . 19 1 1 A 41 41 SER C C 41 174.649 174.833 -0.184 1
1 413 . 19 1 1 A 42 42 GLY N N 42 110.620 107.600 3.020 1
1 414 . 19 1 1 A 42 42 GLY H H 42 8.230 7.349 0.881 1
1 415 . 19 1 1 A 42 42 GLY CA C 42 44.661 45.245 -0.584 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.410 46.303 -0.893 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 4.029 4.293 -0.264 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.333 172.182 2.151 1
1 4 . 20 1 1 A 7 7 GLY HA2 H 7 4.029 4.292 -0.263 1
1 5 . 20 1 1 A 8 8 THR N N 8 113.596 114.110 -0.514 1
1 6 . 20 1 1 A 8 8 THR H H 8 8.037 8.609 -0.572 1
1 7 . 20 1 1 A 8 8 THR CA C 8 61.631 59.608 2.023 1
1 8 . 20 1 1 A 8 8 THR HA H 8 4.339 5.328 -0.989 1
1 9 . 20 1 1 A 8 8 THR CB C 8 70.027 72.084 -2.057 1
1 15 . 20 1 1 A 8 8 THR C C 8 174.408 172.486 1.922 1
1 16 . 20 1 1 A 9 9 ALA N N 9 125.919 125.406 0.513 1
1 17 . 20 1 1 A 9 9 ALA H H 9 8.319 8.611 -0.292 1
1 18 . 20 1 1 A 9 9 ALA CA C 9 52.725 51.622 1.103 1
1 19 . 20 1 1 A 9 9 ALA HA H 9 4.265 4.470 -0.205 1
1 20 . 20 1 1 A 9 9 ALA CB C 9 19.143 19.210 -0.067 1
1 24 . 20 1 1 A 9 9 ALA C C 9 177.703 177.963 -0.260 1
1 25 . 20 1 1 A 10 10 GLU N N 10 119.726 124.561 -4.835 1
1 26 . 20 1 1 A 10 10 GLU H H 10 8.258 8.902 -0.644 1
1 27 . 20 1 1 A 10 10 GLU CA C 10 57.161 59.338 -2.177 1
1 28 . 20 1 1 A 10 10 GLU HA H 10 4.130 4.036 0.094 1
1 29 . 20 1 1 A 10 10 GLU CB C 10 30.255 29.661 0.594 1
1 33 . 20 1 1 A 10 10 GLU C C 10 176.212 175.932 0.280 1
1 36 . 20 1 1 A 11 11 LYS N N 11 120.765 117.609 3.156 1
1 37 . 20 1 1 A 11 11 LYS H H 11 8.078 8.023 0.055 1
1 38 . 20 1 1 A 11 11 LYS CA C 11 53.786 53.344 0.442 1
1 39 . 20 1 1 A 11 11 LYS HA H 11 4.509 4.780 -0.271 1
1 40 . 20 1 1 A 11 11 LYS CB C 11 32.725 33.937 -1.212 1
1 48 . 20 1 1 A 11 11 LYS C C 11 174.027 176.396 -2.369 1
1 53 . 20 1 1 A 12 12 PRO CA C 12 63.494 64.702 -1.208 1
1 54 . 20 1 1 A 12 12 PRO HA H 12 4.266 4.287 -0.021 1
1 55 . 20 1 1 A 12 12 PRO CB C 12 32.363 31.770 0.593 1
1 61 . 20 1 1 A 12 12 PRO C C 12 176.390 176.095 0.295 1
1 65 . 20 1 1 A 13 13 PHE N N 13 118.125 118.550 -0.425 1
1 66 . 20 1 1 A 13 13 PHE H H 13 7.951 7.674 0.277 1
1 67 . 20 1 1 A 13 13 PHE CA C 13 57.351 57.551 -0.200 1
1 68 . 20 1 1 A 13 13 PHE HA H 13 4.712 4.986 -0.274 1
1 69 . 20 1 1 A 13 13 PHE CB C 13 39.241 40.890 -1.649 1
1 81 . 20 1 1 A 13 13 PHE C C 13 174.556 175.097 -0.541 1
1 83 . 20 1 1 A 14 14 ARG N N 14 125.116 122.384 2.732 1
1 84 . 20 1 1 A 14 14 ARG H H 14 8.683 8.835 -0.152 1
1 85 . 20 1 1 A 14 14 ARG CA C 14 55.114 55.321 -0.207 1
1 86 . 20 1 1 A 14 14 ARG HA H 14 4.811 5.167 -0.356 1
1 87 . 20 1 1 A 14 14 ARG CB C 14 32.743 34.129 -1.386 1
1 93 . 20 1 1 A 14 14 ARG C C 14 175.152 174.136 1.016 1
1 97 . 20 1 1 A 15 15 CYS N N 15 126.627 124.568 2.059 1
1 98 . 20 1 1 A 15 15 CYS H H 15 8.950 9.315 -0.365 1
1 99 . 20 1 1 A 15 15 CYS CA C 15 60.705 58.266 2.439 1
1 100 . 20 1 1 A 15 15 CYS HA H 15 4.445 4.843 -0.398 1
1 101 . 20 1 1 A 15 15 CYS CB C 15 29.486 28.971 0.515 1
1 103 . 20 1 1 A 15 15 CYS C C 15 175.282 175.752 -0.470 1
1 105 . 20 1 1 A 16 16 ASP N N 16 127.711 127.903 -0.192 1
1 106 . 20 1 1 A 16 16 ASP H H 16 9.030 9.063 -0.033 1
1 107 . 20 1 1 A 16 16 ASP CA C 16 55.559 55.522 0.037 1
1 108 . 20 1 1 A 16 16 ASP HA H 16 4.588 4.568 0.020 1
1 109 . 20 1 1 A 16 16 ASP CB C 16 40.455 39.505 0.950 1
1 111 . 20 1 1 A 16 16 ASP C C 16 176.634 176.597 0.037 1
1 113 . 20 1 1 A 17 17 THR N N 17 119.919 113.913 6.006 1
1 114 . 20 1 1 A 17 17 THR H H 17 9.285 7.383 1.902 1
1 115 . 20 1 1 A 17 17 THR CA C 17 65.157 65.042 0.115 1
1 116 . 20 1 1 A 17 17 THR HA H 17 4.191 4.081 0.110 1
1 117 . 20 1 1 A 17 17 THR CB C 17 69.826 69.540 0.286 1
1 123 . 20 1 1 A 17 17 THR C C 17 174.022 176.195 -2.173 1
1 124 . 20 1 1 A 18 18 CYS N N 18 121.187 114.941 6.246 1
1 125 . 20 1 1 A 18 18 CYS H H 18 8.128 7.844 0.284 1
1 126 . 20 1 1 A 18 18 CYS CA C 18 58.215 58.165 0.050 1
1 127 . 20 1 1 A 18 18 CYS HA H 18 5.105 4.415 0.690 1
1 128 . 20 1 1 A 18 18 CYS CB C 18 31.519 27.259 4.260 1
1 130 . 20 1 1 A 18 18 CYS C C 18 174.129 173.991 0.138 1
1 132 . 20 1 1 A 19 19 ASP N N 19 118.150 117.398 0.752 1
1 133 . 20 1 1 A 19 19 ASP H H 19 8.128 7.953 0.175 1
1 134 . 20 1 1 A 19 19 ASP CA C 19 55.559 55.443 0.116 1
1 135 . 20 1 1 A 19 19 ASP HA H 19 4.588 4.429 0.159 1
1 136 . 20 1 1 A 19 19 ASP CB C 19 40.878 39.048 1.830 1
1 138 . 20 1 1 A 19 19 ASP C C 19 175.850 174.899 0.951 1
1 140 . 20 1 1 A 20 20 LYS N N 20 121.871 118.078 3.793 1
1 141 . 20 1 1 A 20 20 LYS H H 20 8.112 7.469 0.643 1
1 142 . 20 1 1 A 20 20 LYS CA C 20 57.660 54.863 2.797 1
1 143 . 20 1 1 A 20 20 LYS HA H 20 4.099 4.663 -0.564 1
1 144 . 20 1 1 A 20 20 LYS CB C 20 34.026 34.514 -0.488 1
1 152 . 20 1 1 A 20 20 LYS C C 20 174.727 175.187 -0.460 1
1 157 . 20 1 1 A 21 21 SER N N 21 114.588 112.477 2.111 1
1 158 . 20 1 1 A 21 21 SER H H 21 7.743 8.413 -0.670 1
1 159 . 20 1 1 A 21 21 SER CA C 21 56.845 57.241 -0.396 1
1 160 . 20 1 1 A 21 21 SER HA H 21 5.224 5.406 -0.182 1
1 161 . 20 1 1 A 21 21 SER CB C 21 66.180 65.933 0.247 1
1 163 . 20 1 1 A 21 21 SER C C 21 172.795 172.552 0.243 1
1 165 . 20 1 1 A 22 22 PHE N N 22 117.192 118.739 -1.547 1
1 166 . 20 1 1 A 22 22 PHE H H 22 8.783 8.687 0.096 1
1 167 . 20 1 1 A 22 22 PHE CA C 22 57.524 56.896 0.628 1
1 168 . 20 1 1 A 22 22 PHE HA H 22 4.727 4.932 -0.205 1
1 169 . 20 1 1 A 22 22 PHE CB C 22 44.051 43.695 0.356 1
1 181 . 20 1 1 A 22 22 PHE C C 22 175.101 175.722 -0.621 1
1 183 . 20 1 1 A 23 23 ARG N N 23 120.595 120.231 0.364 1
1 184 . 20 1 1 A 23 23 ARG H H 23 9.190 8.921 0.269 1
1 185 . 20 1 1 A 23 23 ARG CA C 23 58.140 57.009 1.131 1
1 186 . 20 1 1 A 23 23 ARG HA H 23 4.541 4.733 -0.192 1
1 187 . 20 1 1 A 23 23 ARG CB C 23 31.352 32.055 -0.703 1
1 193 . 20 1 1 A 23 23 ARG C C 23 175.992 175.976 0.016 1
1 197 . 20 1 1 A 24 24 GLN N N 24 113.055 118.463 -5.408 1
1 198 . 20 1 1 A 24 24 GLN H H 24 7.538 7.488 0.050 1
1 199 . 20 1 1 A 24 24 GLN CA C 24 53.944 54.956 -1.012 1
1 200 . 20 1 1 A 24 24 GLN HA H 24 4.792 4.397 0.395 1
1 201 . 20 1 1 A 24 24 GLN CB C 24 31.991 30.049 1.942 1
1 208 . 20 1 1 A 24 24 GLN C C 24 175.828 175.435 0.393 1
1 211 . 20 1 1 A 25 25 ARG N N 25 126.893 125.899 0.994 1
1 212 . 20 1 1 A 25 25 ARG H H 25 8.562 8.660 -0.098 1
1 213 . 20 1 1 A 25 25 ARG CA C 25 59.274 58.824 0.450 1
1 214 . 20 1 1 A 25 25 ARG HA H 25 2.955 3.128 -0.173 1
1 215 . 20 1 1 A 25 25 ARG CB C 25 29.418 29.660 -0.242 1
1 221 . 20 1 1 A 25 25 ARG C C 25 178.032 177.230 0.802 1
1 225 . 20 1 1 A 26 26 SER CA C 26 60.900 60.973 -0.073 1
1 226 . 20 1 1 A 26 26 SER HA H 26 3.990 4.110 -0.120 1
1 227 . 20 1 1 A 26 26 SER CB C 26 61.349 62.909 -1.560 1
1 229 . 20 1 1 A 26 26 SER C C 26 176.508 176.531 -0.023 1
1 231 . 20 1 1 A 27 27 ALA N N 27 124.883 121.721 3.162 1
1 232 . 20 1 1 A 27 27 ALA H H 27 6.637 7.999 -1.362 1
1 233 . 20 1 1 A 27 27 ALA CA C 27 54.234 54.122 0.112 1
1 234 . 20 1 1 A 27 27 ALA HA H 27 4.143 4.148 -0.005 1
1 235 . 20 1 1 A 27 27 ALA CB C 27 19.102 18.848 0.254 1
1 239 . 20 1 1 A 27 27 ALA C C 27 179.857 178.797 1.060 1
1 240 . 20 1 1 A 28 28 LEU N N 28 120.865 119.763 1.102 1
1 241 . 20 1 1 A 28 28 LEU H H 28 6.980 7.342 -0.362 1
1 242 . 20 1 1 A 28 28 LEU CA C 28 57.651 56.468 1.183 1
1 243 . 20 1 1 A 28 28 LEU HA H 28 3.201 3.161 0.040 1
1 244 . 20 1 1 A 28 28 LEU CB C 28 40.193 42.097 -1.904 1
1 256 . 20 1 1 A 28 28 LEU C C 28 177.607 178.466 -0.859 1
1 258 . 20 1 1 A 29 29 ASN N N 29 117.824 117.065 0.759 1
1 259 . 20 1 1 A 29 29 ASN H H 29 8.364 8.492 -0.128 1
1 260 . 20 1 1 A 29 29 ASN CA C 29 56.041 56.055 -0.014 1
1 261 . 20 1 1 A 29 29 ASN HA H 29 4.291 4.391 -0.100 1
1 262 . 20 1 1 A 29 29 ASN CB C 29 37.208 38.423 -1.215 1
1 267 . 20 1 1 A 29 29 ASN C C 29 178.174 177.101 1.073 1
1 269 . 20 1 1 A 30 30 SER N N 30 114.405 115.180 -0.775 1
1 270 . 20 1 1 A 30 30 SER H H 30 7.817 7.710 0.107 1
1 271 . 20 1 1 A 30 30 SER CA C 30 61.429 61.036 0.393 1
1 272 . 20 1 1 A 30 30 SER HA H 30 4.211 4.376 -0.165 1
1 273 . 20 1 1 A 30 30 SER CB C 30 62.626 63.210 -0.584 1
1 275 . 20 1 1 A 30 30 SER C C 30 176.722 176.777 -0.055 1
1 277 . 20 1 1 A 31 31 HIS N N 31 121.832 120.890 0.942 1
1 278 . 20 1 1 A 31 31 HIS H H 31 7.642 7.464 0.178 1
1 279 . 20 1 1 A 31 31 HIS CA C 31 59.238 59.891 -0.653 1
1 280 . 20 1 1 A 31 31 HIS HA H 31 4.197 4.065 0.132 1
1 281 . 20 1 1 A 31 31 HIS CB C 31 28.523 29.301 -0.778 1
1 287 . 20 1 1 A 31 31 HIS C C 31 176.289 177.322 -1.033 1
1 289 . 20 1 1 A 32 32 ARG N N 32 115.403 118.330 -2.927 1
1 290 . 20 1 1 A 32 32 ARG H H 32 8.369 8.268 0.101 1
1 291 . 20 1 1 A 32 32 ARG CA C 32 59.823 59.460 0.363 1
1 292 . 20 1 1 A 32 32 ARG HA H 32 3.681 4.033 -0.352 1
1 293 . 20 1 1 A 32 32 ARG CB C 32 30.134 29.884 0.250 1
1 299 . 20 1 1 A 32 32 ARG C C 32 177.770 178.986 -1.216 1
1 303 . 20 1 1 A 33 33 MET N N 33 116.194 118.950 -2.756 1
1 304 . 20 1 1 A 33 33 MET H H 33 7.101 7.916 -0.815 1
1 305 . 20 1 1 A 33 33 MET CA C 33 57.585 58.069 -0.484 1
1 306 . 20 1 1 A 33 33 MET HA H 33 4.275 4.181 0.094 1
1 307 . 20 1 1 A 33 33 MET CB C 33 32.092 32.943 -0.851 1
1 315 . 20 1 1 A 33 33 MET C C 33 178.400 178.169 0.231 1
1 318 . 20 1 1 A 34 34 ILE N N 34 116.686 117.616 -0.930 1
1 319 . 20 1 1 A 34 34 ILE H H 34 7.842 7.743 0.099 1
1 320 . 20 1 1 A 34 34 ILE CA C 34 63.035 64.011 -0.976 1
1 321 . 20 1 1 A 34 34 ILE HA H 34 4.015 3.738 0.277 1
1 322 . 20 1 1 A 34 34 ILE CB C 34 37.667 37.200 0.467 1
1 334 . 20 1 1 A 34 34 ILE C C 34 177.407 177.530 -0.123 1
1 336 . 20 1 1 A 35 35 HIS N N 35 117.537 119.663 -2.126 1
1 337 . 20 1 1 A 35 35 HIS H H 35 7.269 7.280 -0.011 1
1 338 . 20 1 1 A 35 35 HIS CA C 35 55.138 58.780 -3.642 1
1 339 . 20 1 1 A 35 35 HIS HA H 35 4.896 4.404 0.492 1
1 340 . 20 1 1 A 35 35 HIS CB C 35 28.592 30.325 -1.733 1
1 346 . 20 1 1 A 35 35 HIS C C 35 175.843 176.526 -0.683 1
1 348 . 20 1 1 A 36 36 THR N N 36 111.953 111.297 0.656 1
1 349 . 20 1 1 A 36 36 THR H H 36 7.782 7.605 0.177 1
1 350 . 20 1 1 A 36 36 THR CA C 36 62.695 63.313 -0.618 1
1 351 . 20 1 1 A 36 36 THR HA H 36 4.338 3.992 0.346 1
1 352 . 20 1 1 A 36 36 THR CB C 36 69.805 68.668 1.137 1
1 358 . 20 1 1 A 36 36 THR C C 36 175.459 174.059 1.400 1
1 359 . 20 1 1 A 37 37 GLY N N 37 110.774 114.009 -3.235 1
1 360 . 20 1 1 A 37 37 GLY H H 37 8.280 8.213 0.067 1
1 361 . 20 1 1 A 37 37 GLY CA C 37 45.403 46.112 -0.709 1
1 362 . 20 1 1 A 37 37 GLY HA3 H 37 3.973 4.179 -0.206 1
1 363 . 20 1 1 A 37 37 GLY C C 37 174.049 172.781 1.268 1
1 364 . 20 1 1 A 37 37 GLY HA2 H 37 4.038 4.176 -0.138 1
1 365 . 20 1 1 A 38 38 GLU N N 38 120.547 125.227 -4.680 1
1 366 . 20 1 1 A 38 38 GLU H H 38 8.047 8.126 -0.079 1
1 367 . 20 1 1 A 38 38 GLU CA C 38 56.525 57.033 -0.508 1
1 368 . 20 1 1 A 38 38 GLU HA H 38 4.258 4.262 -0.004 1
1 369 . 20 1 1 A 38 38 GLU CB C 38 30.671 30.316 0.355 1
1 373 . 20 1 1 A 38 38 GLU C C 38 176.086 176.365 -0.279 1
1 376 . 20 1 1 A 39 39 LYS N N 39 123.461 127.398 -3.937 1
1 377 . 20 1 1 A 39 39 LYS H H 39 8.380 8.272 0.108 1
1 378 . 20 1 1 A 39 39 LYS CA C 39 54.014 55.275 -1.261 1
1 379 . 20 1 1 A 39 39 LYS HA H 39 4.634 4.277 0.357 1
1 380 . 20 1 1 A 39 39 LYS CB C 39 32.650 31.655 0.995 1
1 388 . 20 1 1 A 39 39 LYS C C 39 174.430 174.674 -0.244 1
1 393 . 20 1 1 A 40 40 PRO CA C 40 63.204 62.368 0.836 1
1 394 . 20 1 1 A 40 40 PRO HA H 40 4.473 4.585 -0.112 1
1 395 . 20 1 1 A 40 40 PRO CB C 40 32.203 33.297 -1.094 1
1 401 . 20 1 1 A 40 40 PRO C C 40 176.955 176.773 0.182 1
1 405 . 20 1 1 A 41 41 SER N N 41 116.471 115.479 0.992 1
1 406 . 20 1 1 A 41 41 SER H H 41 8.474 8.750 -0.276 1
1 407 . 20 1 1 A 41 41 SER CA C 41 58.351 60.062 -1.711 1
1 408 . 20 1 1 A 41 41 SER HA H 41 4.449 4.438 0.011 1
1 409 . 20 1 1 A 41 41 SER CB C 41 64.036 63.690 0.346 1
1 411 . 20 1 1 A 41 41 SER C C 41 174.649 173.948 0.701 1
1 413 . 20 1 1 A 42 42 GLY N N 42 110.620 106.976 3.644 1
1 414 . 20 1 1 A 42 42 GLY H H 42 8.230 7.737 0.493 1
1 415 . 20 1 1 A 42 42 GLY CA C 42 44.661 44.516 0.145 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 35 0.879 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 1.311 1
3 1 1 1 "RMS(OBS, PRED)" CB 33 1.297 1
4 1 1 1 "RMS(OBS, PRED)" H 32 0.461 1
5 1 1 1 "RMS(OBS, PRED)" HA 37 0.292 1
6 1 1 1 "RMS(OBS, PRED)" N 32 2.655 1
7 1 2 1 "RMS(OBS, PRED)" C 35 0.955 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 1.310 1
9 1 2 1 "RMS(OBS, PRED)" CB 33 1.313 1
10 1 2 1 "RMS(OBS, PRED)" H 32 0.532 1
11 1 2 1 "RMS(OBS, PRED)" HA 37 0.284 1
12 1 2 1 "RMS(OBS, PRED)" N 32 2.931 1
13 1 3 1 "RMS(OBS, PRED)" C 35 1.088 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 1.208 1
15 1 3 1 "RMS(OBS, PRED)" CB 33 1.321 1
16 1 3 1 "RMS(OBS, PRED)" H 32 0.457 1
17 1 3 1 "RMS(OBS, PRED)" HA 37 0.305 1
18 1 3 1 "RMS(OBS, PRED)" N 32 2.926 1
19 1 4 1 "RMS(OBS, PRED)" C 35 0.856 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 1.508 1
21 1 4 1 "RMS(OBS, PRED)" CB 33 1.338 1
22 1 4 1 "RMS(OBS, PRED)" H 32 0.496 1
23 1 4 1 "RMS(OBS, PRED)" HA 37 0.332 1
24 1 4 1 "RMS(OBS, PRED)" N 32 2.875 1
25 1 5 1 "RMS(OBS, PRED)" C 35 1.007 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 1.413 1
27 1 5 1 "RMS(OBS, PRED)" CB 33 1.397 1
28 1 5 1 "RMS(OBS, PRED)" H 32 0.487 1
29 1 5 1 "RMS(OBS, PRED)" HA 37 0.330 1
30 1 5 1 "RMS(OBS, PRED)" N 32 2.926 1
31 1 6 1 "RMS(OBS, PRED)" C 35 0.982 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 1.147 1
33 1 6 1 "RMS(OBS, PRED)" CB 33 1.539 1
34 1 6 1 "RMS(OBS, PRED)" H 32 0.437 1
35 1 6 1 "RMS(OBS, PRED)" HA 37 0.314 1
36 1 6 1 "RMS(OBS, PRED)" N 32 2.663 1
37 1 7 1 "RMS(OBS, PRED)" C 35 1.158 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 1.336 1
39 1 7 1 "RMS(OBS, PRED)" CB 33 1.370 1
40 1 7 1 "RMS(OBS, PRED)" H 32 0.523 1
41 1 7 1 "RMS(OBS, PRED)" HA 37 0.296 1
42 1 7 1 "RMS(OBS, PRED)" N 32 2.997 1
43 1 8 1 "RMS(OBS, PRED)" C 35 0.973 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 1.394 1
45 1 8 1 "RMS(OBS, PRED)" CB 33 1.502 1
46 1 8 1 "RMS(OBS, PRED)" H 32 0.479 1
47 1 8 1 "RMS(OBS, PRED)" HA 37 0.313 1
48 1 8 1 "RMS(OBS, PRED)" N 32 2.979 1
49 1 9 1 "RMS(OBS, PRED)" C 35 1.021 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 1.172 1
51 1 9 1 "RMS(OBS, PRED)" CB 33 1.445 1
52 1 9 1 "RMS(OBS, PRED)" H 32 0.505 1
53 1 9 1 "RMS(OBS, PRED)" HA 37 0.317 1
54 1 9 1 "RMS(OBS, PRED)" N 32 3.060 1
55 1 10 1 "RMS(OBS, PRED)" C 35 0.861 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 1.172 1
57 1 10 1 "RMS(OBS, PRED)" CB 33 1.418 1
58 1 10 1 "RMS(OBS, PRED)" H 32 0.552 1
59 1 10 1 "RMS(OBS, PRED)" HA 37 0.293 1
60 1 10 1 "RMS(OBS, PRED)" N 32 3.268 1
61 1 11 1 "RMS(OBS, PRED)" C 35 0.844 1
62 1 11 1 "RMS(OBS, PRED)" CA 36 1.346 1
63 1 11 1 "RMS(OBS, PRED)" CB 33 1.284 1
64 1 11 1 "RMS(OBS, PRED)" H 32 0.514 1
65 1 11 1 "RMS(OBS, PRED)" HA 37 0.314 1
66 1 11 1 "RMS(OBS, PRED)" N 32 2.722 1
67 1 12 1 "RMS(OBS, PRED)" C 35 1.017 1
68 1 12 1 "RMS(OBS, PRED)" CA 36 1.353 1
69 1 12 1 "RMS(OBS, PRED)" CB 33 1.662 1
70 1 12 1 "RMS(OBS, PRED)" H 32 0.494 1
71 1 12 1 "RMS(OBS, PRED)" HA 37 0.284 1
72 1 12 1 "RMS(OBS, PRED)" N 32 2.873 1
73 1 13 1 "RMS(OBS, PRED)" C 35 0.898 1
74 1 13 1 "RMS(OBS, PRED)" CA 36 1.119 1
75 1 13 1 "RMS(OBS, PRED)" CB 33 1.249 1
76 1 13 1 "RMS(OBS, PRED)" H 32 0.488 1
77 1 13 1 "RMS(OBS, PRED)" HA 37 0.281 1
78 1 13 1 "RMS(OBS, PRED)" N 32 3.075 1
79 1 14 1 "RMS(OBS, PRED)" C 35 0.864 1
80 1 14 1 "RMS(OBS, PRED)" CA 36 1.341 1
81 1 14 1 "RMS(OBS, PRED)" CB 33 1.297 1
82 1 14 1 "RMS(OBS, PRED)" H 32 0.512 1
83 1 14 1 "RMS(OBS, PRED)" HA 37 0.289 1
84 1 14 1 "RMS(OBS, PRED)" N 32 2.795 1
85 1 15 1 "RMS(OBS, PRED)" C 35 0.786 1
86 1 15 1 "RMS(OBS, PRED)" CA 36 1.294 1
87 1 15 1 "RMS(OBS, PRED)" CB 33 1.240 1
88 1 15 1 "RMS(OBS, PRED)" H 32 0.471 1
89 1 15 1 "RMS(OBS, PRED)" HA 37 0.293 1
90 1 15 1 "RMS(OBS, PRED)" N 32 2.668 1
91 1 16 1 "RMS(OBS, PRED)" C 35 0.854 1
92 1 16 1 "RMS(OBS, PRED)" CA 36 1.383 1
93 1 16 1 "RMS(OBS, PRED)" CB 33 1.392 1
94 1 16 1 "RMS(OBS, PRED)" H 32 0.479 1
95 1 16 1 "RMS(OBS, PRED)" HA 37 0.325 1
96 1 16 1 "RMS(OBS, PRED)" N 32 2.759 1
97 1 17 1 "RMS(OBS, PRED)" C 35 0.973 1
98 1 17 1 "RMS(OBS, PRED)" CA 36 1.519 1
99 1 17 1 "RMS(OBS, PRED)" CB 33 1.521 1
100 1 17 1 "RMS(OBS, PRED)" H 32 0.519 1
101 1 17 1 "RMS(OBS, PRED)" HA 37 0.352 1
102 1 17 1 "RMS(OBS, PRED)" N 32 3.221 1
103 1 18 1 "RMS(OBS, PRED)" C 35 0.982 1
104 1 18 1 "RMS(OBS, PRED)" CA 36 1.250 1
105 1 18 1 "RMS(OBS, PRED)" CB 33 1.405 1
106 1 18 1 "RMS(OBS, PRED)" H 32 0.494 1
107 1 18 1 "RMS(OBS, PRED)" HA 37 0.265 1
108 1 18 1 "RMS(OBS, PRED)" N 32 3.275 1
109 1 19 1 "RMS(OBS, PRED)" C 35 1.012 1
110 1 19 1 "RMS(OBS, PRED)" CA 36 1.462 1
111 1 19 1 "RMS(OBS, PRED)" CB 33 1.394 1
112 1 19 1 "RMS(OBS, PRED)" H 32 0.546 1
113 1 19 1 "RMS(OBS, PRED)" HA 37 0.275 1
114 1 19 1 "RMS(OBS, PRED)" N 32 3.284 1
115 1 20 1 "RMS(OBS, PRED)" C 35 0.987 1
116 1 20 1 "RMS(OBS, PRED)" CA 36 1.224 1
117 1 20 1 "RMS(OBS, PRED)" CB 33 1.309 1
118 1 20 1 "RMS(OBS, PRED)" H 32 0.534 1
119 1 20 1 "RMS(OBS, PRED)" HA 37 0.315 1
120 1 20 1 "RMS(OBS, PRED)" N 32 2.954 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 7 7 GLY CA C 7 45.410 45.505 -0.095 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 4.029 4.047 -0.018 2
1 3 . 1 1 A 7 7 GLY C C 7 174.333 173.548 0.785 2
1 4 . 1 1 A 7 7 GLY HA2 H 7 4.029 4.046 -0.017 2
1 5 . 1 1 A 8 8 THR N N 8 113.596 114.203 -0.607 2
1 6 . 1 1 A 8 8 THR H H 8 8.037 8.237 -0.200 2
1 7 . 1 1 A 8 8 THR CA C 8 61.631 61.384 0.247 2
1 8 . 1 1 A 8 8 THR HA H 8 4.339 4.782 -0.442 2
1 9 . 1 1 A 8 8 THR CB C 8 70.027 70.808 -0.781 2
1 15 . 1 1 A 8 8 THR C C 8 174.408 173.445 0.963 2
1 16 . 1 1 A 9 9 ALA N N 9 125.919 126.122 -0.203 2
1 17 . 1 1 A 9 9 ALA H H 9 8.319 8.326 -0.007 2
1 18 . 1 1 A 9 9 ALA CA C 9 52.725 51.786 0.939 2
1 19 . 1 1 A 9 9 ALA HA H 9 4.265 4.543 -0.278 2
1 20 . 1 1 A 9 9 ALA CB C 9 19.143 20.518 -1.375 2
1 24 . 1 1 A 9 9 ALA C C 9 177.703 177.999 -0.296 2
1 25 . 1 1 A 10 10 GLU N N 10 119.726 122.968 -3.242 2
1 26 . 1 1 A 10 10 GLU H H 10 8.258 8.816 -0.558 2
1 27 . 1 1 A 10 10 GLU CA C 10 57.161 59.069 -1.908 2
1 28 . 1 1 A 10 10 GLU HA H 10 4.130 4.078 0.052 2
1 29 . 1 1 A 10 10 GLU CB C 10 30.255 29.583 0.672 2
1 33 . 1 1 A 10 10 GLU C C 10 176.212 176.229 -0.017 2
1 36 . 1 1 A 11 11 LYS N N 11 120.765 118.928 1.837 2
1 37 . 1 1 A 11 11 LYS H H 11 8.078 7.885 0.193 2
1 38 . 1 1 A 11 11 LYS CA C 11 53.786 53.294 0.492 2
1 39 . 1 1 A 11 11 LYS HA H 11 4.509 4.736 -0.227 2
1 40 . 1 1 A 11 11 LYS CB C 11 32.725 33.680 -0.955 2
1 48 . 1 1 A 11 11 LYS C C 11 174.027 176.336 -2.309 2
1 53 . 1 1 A 12 12 PRO CA C 12 63.494 64.550 -1.056 2
1 54 . 1 1 A 12 12 PRO HA H 12 4.266 4.294 -0.028 2
1 55 . 1 1 A 12 12 PRO CB C 12 32.363 31.742 0.621 2
1 61 . 1 1 A 12 12 PRO C C 12 176.390 176.066 0.324 2
1 65 . 1 1 A 13 13 PHE N N 13 118.125 118.451 -0.326 2
1 66 . 1 1 A 13 13 PHE H H 13 7.951 7.646 0.305 2
1 67 . 1 1 A 13 13 PHE CA C 13 57.351 57.502 -0.151 2
1 68 . 1 1 A 13 13 PHE HA H 13 4.712 4.961 -0.249 2
1 69 . 1 1 A 13 13 PHE CB C 13 39.241 41.189 -1.948 2
1 81 . 1 1 A 13 13 PHE C C 13 174.556 174.975 -0.419 2
1 83 . 1 1 A 14 14 ARG N N 14 125.116 122.259 2.857 2
1 84 . 1 1 A 14 14 ARG H H 14 8.683 8.778 -0.095 2
1 85 . 1 1 A 14 14 ARG CA C 14 55.114 55.351 -0.237 2
1 86 . 1 1 A 14 14 ARG HA H 14 4.811 5.159 -0.348 2
1 87 . 1 1 A 14 14 ARG CB C 14 32.743 34.082 -1.339 2
1 93 . 1 1 A 14 14 ARG C C 14 175.152 174.195 0.957 2
1 97 . 1 1 A 15 15 CYS N N 15 126.627 124.472 2.155 2
1 98 . 1 1 A 15 15 CYS H H 15 8.950 9.398 -0.448 2
1 99 . 1 1 A 15 15 CYS CA C 15 60.705 58.309 2.396 2
1 100 . 1 1 A 15 15 CYS HA H 15 4.445 4.874 -0.429 2
1 101 . 1 1 A 15 15 CYS CB C 15 29.486 28.988 0.498 2
1 103 . 1 1 A 15 15 CYS C C 15 175.282 175.630 -0.348 2
1 105 . 1 1 A 16 16 ASP N N 16 127.711 127.107 0.604 2
1 106 . 1 1 A 16 16 ASP H H 16 9.030 9.099 -0.069 2
1 107 . 1 1 A 16 16 ASP CA C 16 55.559 53.785 1.774 2
1 108 . 1 1 A 16 16 ASP HA H 16 4.588 4.733 -0.145 2
1 109 . 1 1 A 16 16 ASP CB C 16 40.455 39.897 0.558 2
1 111 . 1 1 A 16 16 ASP C C 16 176.634 176.301 0.333 2
1 113 . 1 1 A 17 17 THR N N 17 119.919 113.292 6.627 2
1 114 . 1 1 A 17 17 THR H H 17 9.285 8.093 1.192 2
1 115 . 1 1 A 17 17 THR CA C 17 65.157 63.753 1.404 2
1 116 . 1 1 A 17 17 THR HA H 17 4.191 4.423 -0.232 2
1 117 . 1 1 A 17 17 THR CB C 17 69.826 70.486 -0.660 2
1 123 . 1 1 A 17 17 THR C C 17 174.022 175.745 -1.723 2
1 124 . 1 1 A 18 18 CYS N N 18 121.187 115.080 6.107 2
1 125 . 1 1 A 18 18 CYS H H 18 8.128 8.002 0.126 2
1 126 . 1 1 A 18 18 CYS CA C 18 58.215 58.063 0.152 2
1 127 . 1 1 A 18 18 CYS HA H 18 5.105 4.541 0.564 2
1 128 . 1 1 A 18 18 CYS CB C 18 31.519 27.591 3.928 2
1 130 . 1 1 A 18 18 CYS C C 18 174.129 174.314 -0.185 2
1 132 . 1 1 A 19 19 ASP N N 19 118.150 118.369 -0.219 2
1 133 . 1 1 A 19 19 ASP H H 19 8.128 7.882 0.246 2
1 134 . 1 1 A 19 19 ASP CA C 19 55.559 55.246 0.313 2
1 135 . 1 1 A 19 19 ASP HA H 19 4.588 4.242 0.346 2
1 136 . 1 1 A 19 19 ASP CB C 19 40.878 39.140 1.738 2
1 138 . 1 1 A 19 19 ASP C C 19 175.850 174.825 1.025 2
1 140 . 1 1 A 20 20 LYS N N 20 121.871 117.978 3.893 2
1 141 . 1 1 A 20 20 LYS H H 20 8.112 7.251 0.861 2
1 142 . 1 1 A 20 20 LYS CA C 20 57.660 54.485 3.175 2
1 143 . 1 1 A 20 20 LYS HA H 20 4.099 4.853 -0.753 2
1 144 . 1 1 A 20 20 LYS CB C 20 34.026 35.220 -1.194 2
1 152 . 1 1 A 20 20 LYS C C 20 174.727 175.208 -0.481 2
1 157 . 1 1 A 21 21 SER N N 21 114.588 112.729 1.859 2
1 158 . 1 1 A 21 21 SER H H 21 7.743 8.378 -0.635 2
1 159 . 1 1 A 21 21 SER CA C 21 56.845 57.146 -0.301 2
1 160 . 1 1 A 21 21 SER HA H 21 5.224 5.414 -0.190 2
1 161 . 1 1 A 21 21 SER CB C 21 66.180 66.182 -0.002 2
1 163 . 1 1 A 21 21 SER C C 21 172.795 172.495 0.300 2
1 165 . 1 1 A 22 22 PHE N N 22 117.192 118.712 -1.520 2
1 166 . 1 1 A 22 22 PHE H H 22 8.783 8.788 -0.005 2
1 167 . 1 1 A 22 22 PHE CA C 22 57.524 56.823 0.701 2
1 168 . 1 1 A 22 22 PHE HA H 22 4.727 4.913 -0.186 2
1 169 . 1 1 A 22 22 PHE CB C 22 44.051 43.674 0.377 2
1 181 . 1 1 A 22 22 PHE C C 22 175.101 175.748 -0.647 2
1 183 . 1 1 A 23 23 ARG N N 23 120.595 120.566 0.029 2
1 184 . 1 1 A 23 23 ARG H H 23 9.190 8.950 0.240 2
1 185 . 1 1 A 23 23 ARG CA C 23 58.140 57.117 1.023 2
1 186 . 1 1 A 23 23 ARG HA H 23 4.541 4.691 -0.150 2
1 187 . 1 1 A 23 23 ARG CB C 23 31.352 31.862 -0.510 2
1 193 . 1 1 A 23 23 ARG C C 23 175.992 176.008 -0.016 2
1 197 . 1 1 A 24 24 GLN N N 24 113.055 118.486 -5.431 2
1 198 . 1 1 A 24 24 GLN H H 24 7.538 7.518 0.020 2
1 199 . 1 1 A 24 24 GLN CA C 24 53.944 54.883 -0.939 2
1 200 . 1 1 A 24 24 GLN HA H 24 4.792 4.440 0.352 2
1 201 . 1 1 A 24 24 GLN CB C 24 31.991 30.147 1.844 2
1 208 . 1 1 A 24 24 GLN C C 24 175.828 175.377 0.451 2
1 211 . 1 1 A 25 25 ARG N N 25 126.893 125.726 1.167 2
1 212 . 1 1 A 25 25 ARG H H 25 8.562 8.648 -0.086 2
1 213 . 1 1 A 25 25 ARG CA C 25 59.274 58.589 0.685 2
1 214 . 1 1 A 25 25 ARG HA H 25 2.955 3.014 -0.059 2
1 215 . 1 1 A 25 25 ARG CB C 25 29.418 29.724 -0.306 2
1 221 . 1 1 A 25 25 ARG C C 25 178.032 177.149 0.883 2
1 225 . 1 1 A 26 26 SER CA C 26 60.900 60.827 0.073 2
1 226 . 1 1 A 26 26 SER HA H 26 3.990 4.120 -0.130 2
1 227 . 1 1 A 26 26 SER CB C 26 61.349 62.920 -1.571 2
1 229 . 1 1 A 26 26 SER C C 26 176.508 176.293 0.215 2
1 231 . 1 1 A 27 27 ALA N N 27 124.883 121.906 2.977 2
1 232 . 1 1 A 27 27 ALA H H 27 6.637 7.930 -1.293 2
1 233 . 1 1 A 27 27 ALA CA C 27 54.234 54.075 0.159 2
1 234 . 1 1 A 27 27 ALA HA H 27 4.143 4.135 0.008 2
1 235 . 1 1 A 27 27 ALA CB C 27 19.102 18.800 0.302 2
1 239 . 1 1 A 27 27 ALA C C 27 179.857 178.884 0.973 2
1 240 . 1 1 A 28 28 LEU N N 28 120.865 119.789 1.076 2
1 241 . 1 1 A 28 28 LEU H H 28 6.980 7.304 -0.325 2
1 242 . 1 1 A 28 28 LEU CA C 28 57.651 56.361 1.290 2
1 243 . 1 1 A 28 28 LEU HA H 28 3.201 3.091 0.110 2
1 244 . 1 1 A 28 28 LEU CB C 28 40.193 42.107 -1.914 2
1 256 . 1 1 A 28 28 LEU C C 28 177.607 178.404 -0.797 2
1 258 . 1 1 A 29 29 ASN N N 29 117.824 116.962 0.862 2
1 259 . 1 1 A 29 29 ASN H H 29 8.364 8.438 -0.074 2
1 260 . 1 1 A 29 29 ASN CA C 29 56.041 56.068 -0.027 2
1 261 . 1 1 A 29 29 ASN HA H 29 4.291 4.375 -0.084 2
1 262 . 1 1 A 29 29 ASN CB C 29 37.208 38.316 -1.108 2
1 267 . 1 1 A 29 29 ASN C C 29 178.174 177.162 1.012 2
1 269 . 1 1 A 30 30 SER N N 30 114.405 115.832 -1.427 2
1 270 . 1 1 A 30 30 SER H H 30 7.817 7.699 0.118 2
1 271 . 1 1 A 30 30 SER CA C 30 61.429 61.346 0.083 2
1 272 . 1 1 A 30 30 SER HA H 30 4.211 4.299 -0.088 2
1 273 . 1 1 A 30 30 SER CB C 30 62.626 63.208 -0.582 2
1 275 . 1 1 A 30 30 SER C C 30 176.722 176.554 0.168 2
1 277 . 1 1 A 31 31 HIS N N 31 121.832 121.303 0.529 2
1 278 . 1 1 A 31 31 HIS H H 31 7.642 7.399 0.243 2
1 279 . 1 1 A 31 31 HIS CA C 31 59.238 59.757 -0.519 2
1 280 . 1 1 A 31 31 HIS HA H 31 4.197 4.086 0.111 2
1 281 . 1 1 A 31 31 HIS CB C 31 28.523 29.294 -0.771 2
1 287 . 1 1 A 31 31 HIS C C 31 176.289 177.282 -0.993 2
1 289 . 1 1 A 32 32 ARG N N 32 115.403 118.403 -3.000 2
1 290 . 1 1 A 32 32 ARG H H 32 8.369 8.256 0.113 2
1 291 . 1 1 A 32 32 ARG CA C 32 59.823 59.511 0.312 2
1 292 . 1 1 A 32 32 ARG HA H 32 3.681 3.991 -0.310 2
1 293 . 1 1 A 32 32 ARG CB C 32 30.134 29.838 0.296 2
1 299 . 1 1 A 32 32 ARG C C 32 177.770 178.904 -1.134 2
1 303 . 1 1 A 33 33 MET N N 33 116.194 119.045 -2.851 2
1 304 . 1 1 A 33 33 MET H H 33 7.101 7.952 -0.851 2
1 305 . 1 1 A 33 33 MET CA C 33 57.585 58.330 -0.745 2
1 306 . 1 1 A 33 33 MET HA H 33 4.275 4.144 0.131 2
1 307 . 1 1 A 33 33 MET CB C 33 32.092 32.960 -0.868 2
1 315 . 1 1 A 33 33 MET C C 33 178.400 178.098 0.302 2
1 318 . 1 1 A 34 34 ILE N N 34 116.686 117.059 -0.373 2
1 319 . 1 1 A 34 34 ILE H H 34 7.842 7.598 0.244 2
1 320 . 1 1 A 34 34 ILE CA C 34 63.035 63.924 -0.889 2
1 321 . 1 1 A 34 34 ILE HA H 34 4.015 3.744 0.271 2
1 322 . 1 1 A 34 34 ILE CB C 34 37.667 37.263 0.404 2
1 334 . 1 1 A 34 34 ILE C C 34 177.407 177.254 0.153 2
1 336 . 1 1 A 35 35 HIS N N 35 117.537 119.800 -2.263 2
1 337 . 1 1 A 35 35 HIS H H 35 7.269 7.279 -0.010 2
1 338 . 1 1 A 35 35 HIS CA C 35 55.138 57.654 -2.516 2
1 339 . 1 1 A 35 35 HIS HA H 35 4.896 4.485 0.411 2
1 340 . 1 1 A 35 35 HIS CB C 35 28.592 29.717 -1.125 2
1 346 . 1 1 A 35 35 HIS C C 35 175.843 175.604 0.239 2
1 348 . 1 1 A 36 36 THR N N 36 111.953 111.018 0.935 2
1 349 . 1 1 A 36 36 THR H H 36 7.782 7.681 0.101 2
1 350 . 1 1 A 36 36 THR CA C 36 62.695 61.993 0.701 2
1 351 . 1 1 A 36 36 THR HA H 36 4.338 4.361 -0.023 2
1 352 . 1 1 A 36 36 THR CB C 36 69.805 69.644 0.161 2
1 358 . 1 1 A 36 36 THR C C 36 175.459 174.514 0.945 2
1 359 . 1 1 A 37 37 GLY N N 37 110.774 110.049 0.725 2
1 360 . 1 1 A 37 37 GLY H H 37 8.280 8.148 0.132 2
1 361 . 1 1 A 37 37 GLY CA C 37 45.403 45.516 -0.113 2
1 362 . 1 1 A 37 37 GLY HA3 H 37 3.973 4.041 -0.068 2
1 363 . 1 1 A 37 37 GLY C C 37 174.049 173.527 0.522 2
1 364 . 1 1 A 37 37 GLY HA2 H 37 4.038 4.037 0.001 2
1 365 . 1 1 A 38 38 GLU N N 38 120.547 121.741 -1.194 2
1 366 . 1 1 A 38 38 GLU H H 38 8.047 8.415 -0.368 2
1 367 . 1 1 A 38 38 GLU CA C 38 56.525 55.930 0.595 2
1 368 . 1 1 A 38 38 GLU HA H 38 4.258 4.518 -0.260 2
1 369 . 1 1 A 38 38 GLU CB C 38 30.671 30.473 0.198 2
1 373 . 1 1 A 38 38 GLU C C 38 176.086 175.601 0.485 2
1 376 . 1 1 A 39 39 LYS N N 39 123.461 121.785 1.675 2
1 377 . 1 1 A 39 39 LYS H H 39 8.380 8.323 0.057 2
1 378 . 1 1 A 39 39 LYS CA C 39 54.014 54.490 -0.476 2
1 379 . 1 1 A 39 39 LYS HA H 39 4.634 4.555 0.079 2
1 380 . 1 1 A 39 39 LYS CB C 39 32.650 33.128 -0.478 2
1 388 . 1 1 A 39 39 LYS C C 39 174.430 175.263 -0.833 2
1 393 . 1 1 A 40 40 PRO CA C 40 63.204 63.278 -0.074 2
1 394 . 1 1 A 40 40 PRO HA H 40 4.473 4.527 -0.054 2
1 395 . 1 1 A 40 40 PRO CB C 40 32.203 32.187 0.016 2
1 401 . 1 1 A 40 40 PRO C C 40 176.955 176.672 0.283 2
1 405 . 1 1 A 41 41 SER N N 41 116.471 114.792 1.679 2
1 406 . 1 1 A 41 41 SER H H 41 8.474 8.270 0.204 2
1 407 . 1 1 A 41 41 SER CA C 41 58.351 58.688 -0.337 2
1 408 . 1 1 A 41 41 SER HA H 41 4.449 4.550 -0.101 2
1 409 . 1 1 A 41 41 SER CB C 41 64.036 64.060 -0.024 2
1 411 . 1 1 A 41 41 SER C C 41 174.649 174.293 0.356 2
1 413 . 1 1 A 42 42 GLY N N 42 110.620 110.023 0.597 2
1 414 . 1 1 A 42 42 GLY H H 42 8.230 8.200 0.030 2
1 415 . 1 1 A 42 42 GLY CA C 42 44.661 45.224 -0.563 2
stop_
save_