data_16261_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16261
_Entry.PDB_ID 2KNJ
_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 15
_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 9 . 1 0 1 A 2 2 HIS H H 2 8.902 7.696 1.206 1
1 10 . 1 0 1 A 2 2 HIS HA H 2 4.665 4.641 0.024 1
1 14 . 1 0 1 A 2 2 HIS CA C 2 55.744 57.152 -1.408 1
1 15 . 1 0 1 A 2 2 HIS CB C 2 29.481 31.293 -1.812 1
1 18 . 1 0 1 A 2 2 HIS N N 2 122.160 116.719 5.441 1
1 19 . 1 0 1 A 3 3 GLN H H 3 8.624 8.451 0.173 1
1 20 . 1 0 1 A 3 3 GLN HA H 3 4.265 4.113 0.152 1
1 24 . 1 0 1 A 3 3 GLN CA C 3 55.961 55.821 0.140 1
1 25 . 1 0 1 A 3 3 GLN CB C 3 29.727 28.140 1.587 1
1 27 . 1 0 1 A 3 3 GLN N N 3 123.710 117.150 6.560 1
1 29 . 1 0 1 A 4 4 GLU H H 4 8.499 8.081 0.418 1
1 30 . 1 0 1 A 4 4 GLU HA H 4 4.250 4.974 -0.724 1
1 33 . 1 0 1 A 4 4 GLU CA C 4 56.888 55.406 1.482 1
1 34 . 1 0 1 A 4 4 GLU CB C 4 29.316 30.530 -1.214 1
1 36 . 1 0 1 A 4 4 GLU N N 4 123.160 120.857 2.303 1
1 37 . 1 0 1 A 5 5 LEU H H 5 8.464 7.593 0.871 1
1 38 . 1 0 1 A 5 5 LEU HA H 5 4.004 4.380 -0.376 1
1 50 . 1 0 1 A 5 5 LEU N N 5 123.070 121.320 1.750 1
1 51 . 1 0 1 A 6 6 CYS H H 6 7.980 7.909 0.071 1
1 52 . 1 0 1 A 6 6 CYS HA H 6 4.565 4.224 0.341 1
1 55 . 1 0 1 A 6 6 CYS N N 6 113.540 114.091 -0.551 1
1 56 . 1 0 1 A 7 7 THR H H 7 7.639 7.797 -0.158 1
1 57 . 1 0 1 A 7 7 THR HA H 7 4.344 4.379 -0.035 1
1 62 . 1 0 1 A 7 7 THR CA C 7 61.772 63.932 -2.160 1
1 63 . 1 0 1 A 7 7 THR CB C 7 69.825 68.142 1.683 1
1 65 . 1 0 1 A 7 7 THR N N 7 108.740 113.287 -4.547 1
1 66 . 1 0 1 A 8 8 LYS H H 8 7.380 7.844 -0.464 1
1 67 . 1 0 1 A 8 8 LYS HA H 8 4.174 4.206 -0.032 1
1 72 . 1 0 1 A 8 8 LYS CA C 8 56.632 55.438 1.194 1
1 73 . 1 0 1 A 8 8 LYS CB C 8 34.166 31.635 2.531 1
1 75 . 1 0 1 A 8 8 LYS N N 8 122.500 117.261 5.239 1
1 76 . 1 0 1 A 9 9 GLY H H 9 8.554 7.878 0.676 1
1 77 . 1 0 1 A 9 9 GLY HA2 H 9 4.027 4.000 0.027 1
1 78 . 1 0 1 A 9 9 GLY HA3 H 9 3.868 4.000 -0.132 1
1 79 . 1 0 1 A 9 9 GLY CA C 9 45.101 44.753 0.348 1
1 80 . 1 0 1 A 9 9 GLY N N 9 108.960 110.025 -1.065 1
1 81 . 1 0 1 A 10 10 ASP H H 10 8.455 8.753 -0.298 1
1 82 . 1 0 1 A 10 10 ASP HA H 10 4.146 4.301 -0.155 1
1 84 . 1 0 1 A 10 10 ASP CA C 10 57.568 56.912 0.656 1
1 85 . 1 0 1 A 10 10 ASP CB C 10 38.723 40.552 -1.829 1
1 86 . 1 0 1 A 10 10 ASP N N 10 118.550 121.332 -2.782 1
1 87 . 1 0 1 A 11 11 ASP H H 11 8.538 8.331 0.207 1
1 88 . 1 0 1 A 11 11 ASP HA H 11 4.262 4.340 -0.078 1
1 90 . 1 0 1 A 11 11 ASP CA C 11 56.696 57.597 -0.901 1
1 91 . 1 0 1 A 11 11 ASP CB C 11 37.812 41.231 -3.419 1
1 92 . 1 0 1 A 11 11 ASP N N 11 118.150 119.346 -1.196 1
1 93 . 1 0 1 A 12 12 ALA H H 12 7.935 7.586 0.349 1
1 94 . 1 0 1 A 12 12 ALA HA H 12 4.052 4.328 -0.276 1
1 98 . 1 0 1 A 12 12 ALA CA C 12 55.104 54.222 0.882 1
1 99 . 1 0 1 A 12 12 ALA CB C 12 19.122 18.338 0.784 1
1 100 . 1 0 1 A 12 12 ALA N N 12 123.880 121.794 2.086 1
1 101 . 1 0 1 A 13 13 LEU H H 13 8.367 8.028 0.339 1
1 102 . 1 0 1 A 13 13 LEU HA H 13 4.524 4.021 0.503 1
1 104 . 1 0 1 A 13 13 LEU CA C 13 54.138 57.499 -3.361 1
1 105 . 1 0 1 A 13 13 LEU CB C 13 39.063 41.355 -2.292 1
1 106 . 1 0 1 A 13 13 LEU N N 13 120.800 121.276 -0.476 1
1 107 . 1 0 1 A 14 14 VAL H H 14 8.127 8.299 -0.172 1
1 108 . 1 0 1 A 14 14 VAL HA H 14 3.354 3.645 -0.291 1
1 116 . 1 0 1 A 14 14 VAL CA C 14 67.895 66.264 1.631 1
1 117 . 1 0 1 A 14 14 VAL CB C 14 32.471 31.126 1.345 1
1 120 . 1 0 1 A 14 14 VAL N N 14 121.290 118.774 2.516 1
1 121 . 1 0 1 A 15 15 THR H H 15 7.813 8.080 -0.267 1
1 122 . 1 0 1 A 15 15 THR HA H 15 3.824 3.799 0.025 1
1 127 . 1 0 1 A 15 15 THR CA C 15 66.838 67.022 -0.184 1
1 128 . 1 0 1 A 15 15 THR CB C 15 69.152 68.742 0.410 1
1 130 . 1 0 1 A 15 15 THR N N 15 115.770 116.606 -0.836 1
1 131 . 1 0 1 A 16 16 GLU H H 16 8.201 8.557 -0.356 1
1 132 . 1 0 1 A 16 16 GLU HA H 16 4.134 3.899 0.235 1
1 136 . 1 0 1 A 16 16 GLU CA C 16 60.219 59.319 0.900 1
1 137 . 1 0 1 A 16 16 GLU CB C 16 27.443 29.116 -1.673 1
1 139 . 1 0 1 A 16 16 GLU N N 16 123.330 119.343 3.987 1
1 140 . 1 0 1 A 17 17 LEU H H 17 8.637 8.601 0.036 1
1 141 . 1 0 1 A 17 17 LEU HA H 17 3.779 4.001 -0.222 1
1 145 . 1 0 1 A 17 17 LEU CA C 17 58.646 58.212 0.434 1
1 146 . 1 0 1 A 17 17 LEU CB C 17 41.289 41.560 -0.271 1
1 147 . 1 0 1 A 17 17 LEU N N 17 119.350 120.883 -1.533 1
1 148 . 1 0 1 A 18 18 GLU H H 18 7.903 8.300 -0.397 1
1 149 . 1 0 1 A 18 18 GLU HA H 18 4.048 4.085 -0.037 1
1 153 . 1 0 1 A 18 18 GLU CA C 18 59.140 59.103 0.037 1
1 154 . 1 0 1 A 18 18 GLU CB C 18 27.587 28.827 -1.240 1
1 156 . 1 0 1 A 18 18 GLU N N 18 122.730 116.638 6.092 1
1 157 . 1 0 1 A 19 19 CYS H H 19 7.231 7.487 -0.256 1
1 158 . 1 0 1 A 19 19 CYS HA H 19 4.135 4.650 -0.515 1
1 161 . 1 0 1 A 19 19 CYS CA C 19 60.041 56.627 3.414 1
1 162 . 1 0 1 A 19 19 CYS CB C 19 39.419 42.502 -3.083 1
1 163 . 1 0 1 A 19 19 CYS N N 19 120.230 117.458 2.772 1
1 164 . 1 0 1 A 20 20 ILE H H 20 8.433 7.616 0.817 1
1 165 . 1 0 1 A 20 20 ILE HA H 20 3.288 4.051 -0.763 1
1 174 . 1 0 1 A 20 20 ILE CA C 20 66.135 63.440 2.695 1
1 175 . 1 0 1 A 20 20 ILE CB C 20 39.423 38.173 1.250 1
1 179 . 1 0 1 A 20 20 ILE N N 20 122.030 119.094 2.936 1
1 180 . 1 0 1 A 21 21 ARG H H 21 7.644 8.193 -0.549 1
1 181 . 1 0 1 A 21 21 ARG HA H 21 3.823 4.275 -0.452 1
1 183 . 1 0 1 A 21 21 ARG CA C 21 59.557 57.611 1.946 1
1 184 . 1 0 1 A 21 21 ARG CB C 21 30.680 30.264 0.416 1
1 187 . 1 0 1 A 21 21 ARG N N 21 119.330 121.911 -2.581 1
1 188 . 1 0 1 A 22 22 LEU H H 22 6.877 7.744 -0.867 1
1 189 . 1 0 1 A 22 22 LEU HA H 22 4.111 4.213 -0.102 1
1 199 . 1 0 1 A 22 22 LEU CA C 22 56.458 54.322 2.136 1
1 200 . 1 0 1 A 22 22 LEU CB C 22 42.824 41.052 1.772 1
1 204 . 1 0 1 A 22 22 LEU N N 22 114.780 115.042 -0.262 1
1 205 . 1 0 1 A 23 23 ARG H H 23 7.570 8.122 -0.552 1
1 206 . 1 0 1 A 23 23 ARG HA H 23 4.384 4.000 0.384 1
1 212 . 1 0 1 A 23 23 ARG CA C 23 56.733 57.840 -1.107 1
1 213 . 1 0 1 A 23 23 ARG CB C 23 33.160 28.487 4.673 1
1 216 . 1 0 1 A 23 23 ARG N N 23 117.100 113.582 3.518 1
1 218 . 1 0 1 A 24 24 ILE H H 24 7.041 8.444 -1.403 1
1 219 . 1 0 1 A 24 24 ILE HA H 24 4.653 3.953 0.700 1
1 229 . 1 0 1 A 24 24 ILE CA C 24 60.889 63.579 -2.690 1
1 230 . 1 0 1 A 24 24 ILE CB C 24 40.480 36.800 3.680 1
1 234 . 1 0 1 A 24 24 ILE N N 24 112.510 117.234 -4.724 1
1 235 . 1 0 1 A 25 25 SER H H 25 8.441 8.506 -0.065 1
1 236 . 1 0 1 A 25 25 SER HA H 25 4.572 4.720 -0.148 1
1 239 . 1 0 1 A 25 25 SER CA C 25 58.047 59.426 -1.379 1
1 240 . 1 0 1 A 25 25 SER CB C 25 63.703 65.067 -1.364 1
1 241 . 1 0 1 A 25 25 SER N N 25 116.820 122.261 -5.441 1
1 242 . 1 0 1 A 26 26 PRO HA H 26 4.457 4.458 -0.001 1
1 248 . 1 0 1 A 26 26 PRO CA C 26 66.703 62.386 4.317 1
1 249 . 1 0 1 A 26 26 PRO CB C 26 32.374 32.829 -0.455 1
1 252 . 1 0 1 A 27 27 GLU H H 27 8.543 8.740 -0.197 1
1 253 . 1 0 1 A 27 27 GLU HA H 27 4.170 4.096 0.074 1
1 257 . 1 0 1 A 27 27 GLU CA C 27 60.003 59.001 1.002 1
1 258 . 1 0 1 A 27 27 GLU CB C 27 27.944 29.081 -1.137 1
1 260 . 1 0 1 A 27 27 GLU N N 27 117.750 121.615 -3.865 1
1 261 . 1 0 1 A 28 28 THR H H 28 8.099 7.834 0.265 1
1 262 . 1 0 1 A 28 28 THR HA H 28 4.178 3.028 1.150 1
1 267 . 1 0 1 A 28 28 THR CA C 28 67.201 65.593 1.608 1
1 268 . 1 0 1 A 28 28 THR CB C 28 67.314 69.204 -1.890 1
1 270 . 1 0 1 A 28 28 THR N N 28 122.040 115.404 6.636 1
1 271 . 1 0 1 A 29 29 ASN H H 29 8.621 7.904 0.717 1
1 272 . 1 0 1 A 29 29 ASN HA H 29 4.522 4.410 0.112 1
1 276 . 1 0 1 A 29 29 ASN CA C 29 58.319 56.050 2.269 1
1 277 . 1 0 1 A 29 29 ASN CB C 29 39.553 38.283 1.270 1
1 278 . 1 0 1 A 29 29 ASN N N 29 122.850 119.184 3.666 1
1 280 . 1 0 1 A 30 30 ALA H H 30 8.185 8.055 0.130 1
1 281 . 1 0 1 A 30 30 ALA HA H 30 4.141 3.938 0.203 1
1 285 . 1 0 1 A 30 30 ALA CA C 30 55.716 55.017 0.699 1
1 286 . 1 0 1 A 30 30 ALA CB C 30 17.815 18.301 -0.486 1
1 287 . 1 0 1 A 30 30 ALA N N 30 123.330 122.135 1.195 1
1 288 . 1 0 1 A 31 31 ALA H H 31 7.852 8.295 -0.443 1
1 289 . 1 0 1 A 31 31 ALA HA H 31 4.182 3.659 0.523 1
1 293 . 1 0 1 A 31 31 ALA CA C 31 55.395 54.757 0.638 1
1 294 . 1 0 1 A 31 31 ALA CB C 31 18.712 18.471 0.241 1
1 295 . 1 0 1 A 31 31 ALA N N 31 122.920 119.372 3.548 1
1 296 . 1 0 1 A 32 32 PHE H H 32 8.497 7.343 1.154 1
1 297 . 1 0 1 A 32 32 PHE HA H 32 4.300 4.271 0.029 1
1 303 . 1 0 1 A 32 32 PHE CA C 32 59.972 61.217 -1.245 1
1 304 . 1 0 1 A 32 32 PHE CB C 32 39.152 37.842 1.310 1
1 308 . 1 0 1 A 32 32 PHE N N 32 123.980 116.335 7.645 1
1 309 . 1 0 1 A 33 33 ASP H H 33 8.380 8.134 0.246 1
1 310 . 1 0 1 A 33 33 ASP HA H 33 4.298 4.315 -0.017 1
1 313 . 1 0 1 A 33 33 ASP CA C 33 57.394 57.714 -0.320 1
1 314 . 1 0 1 A 33 33 ASP CB C 33 38.380 41.357 -2.977 1
1 315 . 1 0 1 A 33 33 ASP N N 33 119.640 120.796 -1.156 1
1 316 . 1 0 1 A 34 34 ASN H H 34 7.854 8.156 -0.302 1
1 317 . 1 0 1 A 34 34 ASN HA H 34 4.410 4.464 -0.054 1
1 321 . 1 0 1 A 34 34 ASN CA C 34 56.974 54.508 2.466 1
1 322 . 1 0 1 A 34 34 ASN CB C 34 38.740 36.901 1.839 1
1 323 . 1 0 1 A 34 34 ASN N N 34 119.710 115.518 4.192 1
1 325 . 1 0 1 A 35 35 ALA H H 35 7.743 7.859 -0.116 1
1 326 . 1 0 1 A 35 35 ALA HA H 35 2.999 3.990 -0.991 1
1 330 . 1 0 1 A 35 35 ALA CA C 35 55.881 55.066 0.815 1
1 331 . 1 0 1 A 35 35 ALA CB C 35 17.360 18.903 -1.543 1
1 332 . 1 0 1 A 35 35 ALA N N 35 123.520 123.301 0.219 1
1 333 . 1 0 1 A 36 36 VAL H H 36 7.802 8.641 -0.839 1
1 334 . 1 0 1 A 36 36 VAL HA H 36 2.973 3.960 -0.987 1
1 342 . 1 0 1 A 36 36 VAL CA C 36 67.829 64.615 3.214 1
1 343 . 1 0 1 A 36 36 VAL CB C 36 32.410 31.550 0.860 1
1 346 . 1 0 1 A 36 36 VAL N N 36 115.430 114.770 0.660 1
1 347 . 1 0 1 A 37 37 GLN H H 37 7.027 7.983 -0.956 1
1 348 . 1 0 1 A 37 37 GLN HA H 37 4.093 3.950 0.143 1
1 353 . 1 0 1 A 37 37 GLN CA C 37 59.039 59.235 -0.196 1
1 354 . 1 0 1 A 37 37 GLN CB C 37 28.910 28.259 0.651 1
1 356 . 1 0 1 A 37 37 GLN N N 37 116.140 120.999 -4.859 1
1 358 . 1 0 1 A 38 38 GLN H H 38 8.443 7.863 0.580 1
1 359 . 1 0 1 A 38 38 GLN HA H 38 3.939 3.965 -0.026 1
1 365 . 1 0 1 A 38 38 GLN CA C 38 58.748 59.009 -0.261 1
1 366 . 1 0 1 A 38 38 GLN CB C 38 28.854 28.596 0.258 1
1 368 . 1 0 1 A 38 38 GLN N N 38 120.080 118.851 1.229 1
1 370 . 1 0 1 A 39 39 LEU H H 39 7.565 7.662 -0.097 1
1 371 . 1 0 1 A 39 39 LEU HA H 39 4.199 4.104 0.095 1
1 380 . 1 0 1 A 39 39 LEU CA C 39 54.901 57.149 -2.248 1
1 381 . 1 0 1 A 39 39 LEU CB C 39 42.208 41.609 0.599 1
1 383 . 1 0 1 A 39 39 LEU N N 39 117.930 119.152 -1.222 1
1 384 . 1 0 1 A 40 40 ASN H H 40 7.976 7.963 0.013 1
1 385 . 1 0 1 A 40 40 ASN HA H 40 4.313 4.564 -0.251 1
1 389 . 1 0 1 A 40 40 ASN CA C 40 54.625 54.316 0.309 1
1 390 . 1 0 1 A 40 40 ASN CB C 40 36.903 37.246 -0.343 1
1 391 . 1 0 1 A 40 40 ASN N N 40 118.780 116.949 1.831 1
1 393 . 1 0 1 A 41 41 CYS H H 41 7.833 7.754 0.079 1
1 394 . 1 0 1 A 41 41 CYS HA H 41 4.888 4.523 0.365 1
1 397 . 1 0 1 A 41 41 CYS CA C 41 55.148 57.190 -2.042 1
1 398 . 1 0 1 A 41 41 CYS CB C 41 42.078 42.503 -0.425 1
1 399 . 1 0 1 A 41 41 CYS N N 41 115.600 116.340 -0.740 1
1 400 . 1 0 1 A 42 42 LEU H H 42 8.371 7.989 0.382 1
1 401 . 1 0 1 A 42 42 LEU HA H 42 4.340 4.250 0.090 1
1 410 . 1 0 1 A 42 42 LEU CA C 42 55.342 56.937 -1.595 1
1 411 . 1 0 1 A 42 42 LEU CB C 42 43.358 41.866 1.492 1
1 415 . 1 0 1 A 42 42 LEU N N 42 116.770 120.867 -4.097 1
1 416 . 1 0 1 A 43 43 ASN H H 43 7.025 8.486 -1.461 1
1 417 . 1 0 1 A 43 43 ASN HA H 43 4.767 4.657 0.110 1
1 422 . 1 0 1 A 43 43 ASN CA C 43 51.715 53.332 -1.617 1
1 423 . 1 0 1 A 43 43 ASN CB C 43 41.011 39.427 1.584 1
1 424 . 1 0 1 A 43 43 ASN N N 43 111.360 118.885 -7.525 1
1 426 . 1 0 1 A 44 44 ARG H H 44 8.735 8.975 -0.240 1
1 427 . 1 0 1 A 44 44 ARG HA H 44 3.868 4.137 -0.269 1
1 431 . 1 0 1 A 44 44 ARG CA C 44 60.307 58.759 1.548 1
1 432 . 1 0 1 A 44 44 ARG CB C 44 30.895 30.153 0.742 1
1 433 . 1 0 1 A 44 44 ARG N N 44 118.870 126.682 -7.812 1
1 434 . 1 0 1 A 45 45 ALA H H 45 8.381 8.185 0.196 1
1 435 . 1 0 1 A 45 45 ALA HA H 45 3.814 4.124 -0.310 1
1 439 . 1 0 1 A 45 45 ALA CA C 45 56.384 55.065 1.319 1
1 440 . 1 0 1 A 45 45 ALA CB C 45 17.800 18.037 -0.237 1
1 441 . 1 0 1 A 45 45 ALA N N 45 125.360 121.247 4.113 1
1 442 . 1 0 1 A 46 46 CYS H H 46 8.027 7.670 0.357 1
1 443 . 1 0 1 A 46 46 CYS HA H 46 4.168 4.257 -0.089 1
1 446 . 1 0 1 A 46 46 CYS CA C 46 59.006 58.816 0.190 1
1 447 . 1 0 1 A 46 46 CYS CB C 46 33.410 41.543 -8.133 1
1 448 . 1 0 1 A 46 46 CYS N N 46 117.400 117.281 0.119 1
1 449 . 1 0 1 A 47 47 ALA H H 47 7.144 7.528 -0.384 1
1 450 . 1 0 1 A 47 47 ALA HA H 47 3.837 4.009 -0.172 1
1 454 . 1 0 1 A 47 47 ALA CA C 47 55.130 54.949 0.181 1
1 455 . 1 0 1 A 47 47 ALA CB C 47 19.618 18.663 0.955 1
1 456 . 1 0 1 A 47 47 ALA N N 47 123.130 122.622 0.508 1
1 457 . 1 0 1 A 48 48 TYR H H 48 8.841 8.391 0.450 1
1 458 . 1 0 1 A 48 48 TYR HA H 48 3.896 4.275 -0.379 1
1 462 . 1 0 1 A 48 48 TYR CA C 48 63.769 61.779 1.990 1
1 463 . 1 0 1 A 48 48 TYR CB C 48 40.446 37.981 2.465 1
1 466 . 1 0 1 A 48 48 TYR N N 48 120.860 116.584 4.276 1
1 467 . 1 0 1 A 49 49 ARG H H 49 8.501 8.497 0.004 1
1 468 . 1 0 1 A 49 49 ARG HA H 49 3.840 4.075 -0.235 1
1 470 . 1 0 1 A 49 49 ARG CA C 49 60.324 59.000 1.324 1
1 471 . 1 0 1 A 49 49 ARG CB C 49 29.890 29.436 0.454 1
1 472 . 1 0 1 A 49 49 ARG N N 49 117.110 119.795 -2.685 1
1 473 . 1 0 1 A 50 50 LYS H H 50 7.817 7.635 0.182 1
1 474 . 1 0 1 A 50 50 LYS HA H 50 3.965 4.151 -0.186 1
1 477 . 1 0 1 A 50 50 LYS CA C 50 61.111 59.007 2.104 1
1 478 . 1 0 1 A 50 50 LYS CB C 50 33.272 31.753 1.519 1
1 479 . 1 0 1 A 50 50 LYS N N 50 119.510 119.579 -0.069 1
1 480 . 1 0 1 A 51 51 MET H H 51 7.934 8.003 -0.069 1
1 481 . 1 0 1 A 51 51 MET HA H 51 4.199 4.147 0.052 1
1 484 . 1 0 1 A 51 51 MET CA C 51 60.407 58.434 1.973 1
1 485 . 1 0 1 A 51 51 MET CB C 51 33.492 31.996 1.496 1
1 487 . 1 0 1 A 51 51 MET N N 51 119.740 118.701 1.039 1
1 488 . 1 0 1 A 52 52 CYS H H 52 8.545 8.244 0.301 1
1 489 . 1 0 1 A 52 52 CYS HA H 52 4.018 4.225 -0.207 1
1 492 . 1 0 1 A 52 52 CYS CA C 52 60.109 59.313 0.796 1
1 493 . 1 0 1 A 52 52 CYS CB C 52 40.790 42.202 -1.412 1
1 494 . 1 0 1 A 52 52 CYS N N 52 119.160 117.523 1.637 1
1 495 . 1 0 1 A 53 53 ALA H H 53 7.626 7.711 -0.085 1
1 496 . 1 0 1 A 53 53 ALA HA H 53 4.182 4.259 -0.077 1
1 500 . 1 0 1 A 53 53 ALA CA C 53 54.149 54.525 -0.376 1
1 501 . 1 0 1 A 53 53 ALA CB C 53 18.492 19.242 -0.750 1
1 502 . 1 0 1 A 53 53 ALA N N 53 122.360 122.248 0.112 1
1 503 . 1 0 1 A 54 54 THR H H 54 7.041 8.472 -1.431 1
1 504 . 1 0 1 A 54 54 THR HA H 54 4.180 4.633 -0.453 1
1 509 . 1 0 1 A 54 54 THR CA C 54 63.143 61.300 1.843 1
1 510 . 1 0 1 A 54 54 THR CB C 54 71.301 69.737 1.564 1
1 512 . 1 0 1 A 54 54 THR N N 54 107.780 109.904 -2.124 1
1 513 . 1 0 1 A 55 55 ASN H H 55 8.071 8.126 -0.055 1
1 514 . 1 0 1 A 55 55 ASN HA H 55 4.409 4.793 -0.384 1
1 518 . 1 0 1 A 55 55 ASN CA C 55 55.475 55.459 0.016 1
1 519 . 1 0 1 A 55 55 ASN CB C 55 38.226 37.397 0.829 1
1 520 . 1 0 1 A 55 55 ASN N N 55 114.220 115.777 -1.557 1
1 522 . 1 0 1 A 56 56 ASN H H 56 7.751 8.297 -0.546 1
1 523 . 1 0 1 A 56 56 ASN HA H 56 4.598 4.851 -0.253 1
1 528 . 1 0 1 A 56 56 ASN CA C 56 53.301 54.614 -1.313 1
1 529 . 1 0 1 A 56 56 ASN CB C 56 38.408 39.900 -1.492 1
1 530 . 1 0 1 A 56 56 ASN N N 56 117.400 118.350 -0.950 1
1 532 . 1 0 1 A 57 57 LEU H H 57 8.623 8.391 0.232 1
1 533 . 1 0 1 A 57 57 LEU HA H 57 3.783 4.073 -0.290 1
1 536 . 1 0 1 A 57 57 LEU CA C 57 58.796 57.561 1.235 1
1 537 . 1 0 1 A 57 57 LEU CB C 57 42.709 41.249 1.460 1
1 538 . 1 0 1 A 57 57 LEU N N 57 127.190 119.611 7.579 1
1 539 . 1 0 1 A 58 58 GLU H H 58 8.353 8.827 -0.474 1
1 540 . 1 0 1 A 58 58 GLU HA H 58 3.792 4.162 -0.370 1
1 543 . 1 0 1 A 58 58 GLU CA C 58 60.263 58.446 1.817 1
1 544 . 1 0 1 A 58 58 GLU CB C 58 27.565 28.125 -0.560 1
1 546 . 1 0 1 A 58 58 GLU N N 58 117.370 121.719 -4.349 1
1 547 . 1 0 1 A 59 59 GLN H H 59 7.434 8.289 -0.855 1
1 548 . 1 0 1 A 59 59 GLN HA H 59 3.850 4.070 -0.220 1
1 553 . 1 0 1 A 59 59 GLN CA C 59 58.858 58.565 0.293 1
1 554 . 1 0 1 A 59 59 GLN CB C 59 28.858 28.519 0.339 1
1 556 . 1 0 1 A 59 59 GLN N N 59 119.730 118.638 1.092 1
1 558 . 1 0 1 A 60 60 ALA H H 60 8.043 7.723 0.320 1
1 559 . 1 0 1 A 60 60 ALA HA H 60 4.090 4.012 0.078 1
1 563 . 1 0 1 A 60 60 ALA CA C 60 55.496 55.232 0.264 1
1 564 . 1 0 1 A 60 60 ALA CB C 60 19.168 18.558 0.610 1
1 565 . 1 0 1 A 60 60 ALA N N 60 124.010 121.634 2.376 1
1 566 . 1 0 1 A 61 61 MET H H 61 8.690 8.379 0.311 1
1 567 . 1 0 1 A 61 61 MET HA H 61 4.240 3.870 0.370 1
1 571 . 1 0 1 A 61 61 MET CA C 61 59.964 58.038 1.926 1
1 572 . 1 0 1 A 61 61 MET CB C 61 34.709 32.011 2.698 1
1 574 . 1 0 1 A 61 61 MET N N 61 114.840 116.979 -2.139 1
1 575 . 1 0 1 A 62 62 SER H H 62 7.697 7.674 0.023 1
1 576 . 1 0 1 A 62 62 SER HA H 62 4.527 3.612 0.915 1
1 579 . 1 0 1 A 62 62 SER CA C 62 61.590 60.689 0.901 1
1 580 . 1 0 1 A 62 62 SER CB C 62 63.726 63.062 0.664 1
1 581 . 1 0 1 A 62 62 SER N N 62 115.290 115.106 0.184 1
1 582 . 1 0 1 A 63 63 VAL H H 63 6.876 7.606 -0.730 1
1 583 . 1 0 1 A 63 63 VAL HA H 63 3.366 3.617 -0.251 1
1 591 . 1 0 1 A 63 63 VAL CA C 63 65.247 66.344 -1.097 1
1 592 . 1 0 1 A 63 63 VAL CB C 63 32.621 31.500 1.121 1
1 595 . 1 0 1 A 63 63 VAL N N 63 120.720 122.147 -1.427 1
1 596 . 1 0 1 A 64 64 TYR H H 64 6.677 7.727 -1.050 1
1 597 . 1 0 1 A 64 64 TYR HA H 64 4.274 4.289 -0.015 1
1 602 . 1 0 1 A 64 64 TYR CA C 64 57.735 60.112 -2.377 1
1 603 . 1 0 1 A 64 64 TYR CB C 64 42.007 38.800 3.207 1
1 606 . 1 0 1 A 64 64 TYR N N 64 115.320 118.606 -3.286 1
1 607 . 1 0 1 A 65 65 PHE H H 65 8.052 7.693 0.359 1
1 608 . 1 0 1 A 65 65 PHE HA H 65 5.160 4.758 0.402 1
1 614 . 1 0 1 A 65 65 PHE CA C 65 56.486 55.592 0.894 1
1 615 . 1 0 1 A 65 65 PHE CB C 65 43.296 40.982 2.314 1
1 619 . 1 0 1 A 65 65 PHE N N 65 117.410 117.102 0.308 1
1 620 . 1 0 1 A 66 66 THR H H 66 8.302 9.092 -0.790 1
1 621 . 1 0 1 A 66 66 THR HA H 66 4.657 4.837 -0.180 1
1 626 . 1 0 1 A 66 66 THR CA C 66 60.932 60.419 0.513 1
1 627 . 1 0 1 A 66 66 THR CB C 66 71.138 71.754 -0.616 1
1 629 . 1 0 1 A 66 66 THR N N 66 111.430 113.536 -2.106 1
1 630 . 1 0 1 A 67 67 ASN H H 67 9.025 9.342 -0.317 1
1 631 . 1 0 1 A 67 67 ASN HA H 67 4.223 4.560 -0.337 1
1 636 . 1 0 1 A 67 67 ASN CA C 67 57.459 56.343 1.116 1
1 637 . 1 0 1 A 67 67 ASN CB C 67 38.180 37.459 0.721 1
1 638 . 1 0 1 A 67 67 ASN N N 67 120.120 119.270 0.850 1
1 640 . 1 0 1 A 68 68 GLU H H 68 8.403 8.453 -0.050 1
1 641 . 1 0 1 A 68 68 GLU HA H 68 3.956 4.064 -0.108 1
1 645 . 1 0 1 A 68 68 GLU CA C 68 59.700 59.559 0.141 1
1 646 . 1 0 1 A 68 68 GLU CB C 68 28.105 29.259 -1.154 1
1 648 . 1 0 1 A 68 68 GLU N N 68 120.220 118.734 1.486 1
1 649 . 1 0 1 A 69 69 GLN H H 69 7.411 7.706 -0.295 1
1 650 . 1 0 1 A 69 69 GLN HA H 69 3.822 4.133 -0.311 1
1 657 . 1 0 1 A 69 69 GLN CA C 69 58.952 58.823 0.129 1
1 658 . 1 0 1 A 69 69 GLN CB C 69 28.418 28.097 0.321 1
1 659 . 1 0 1 A 69 69 GLN N N 69 120.940 119.008 1.932 1
1 661 . 1 0 1 A 70 70 ILE H H 70 8.327 7.583 0.744 1
1 662 . 1 0 1 A 70 70 ILE HA H 70 3.036 3.681 -0.645 1
1 671 . 1 0 1 A 70 70 ILE CA C 70 66.926 62.097 4.829 1
1 672 . 1 0 1 A 70 70 ILE CB C 70 38.603 37.890 0.713 1
1 676 . 1 0 1 A 70 70 ILE N N 70 120.560 119.482 1.078 1
1 677 . 1 0 1 A 71 71 LYS H H 71 7.554 7.978 -0.424 1
1 678 . 1 0 1 A 71 71 LYS HA H 71 3.909 3.946 -0.037 1
1 681 . 1 0 1 A 71 71 LYS CA C 71 60.156 60.424 -0.268 1
1 682 . 1 0 1 A 71 71 LYS CB C 71 32.294 32.416 -0.122 1
1 683 . 1 0 1 A 71 71 LYS N N 71 121.040 121.743 -0.703 1
1 684 . 1 0 1 A 72 72 GLU H H 72 7.885 7.951 -0.066 1
1 685 . 1 0 1 A 72 72 GLU HA H 72 3.989 3.972 0.017 1
1 688 . 1 0 1 A 72 72 GLU CA C 72 60.266 59.217 1.049 1
1 689 . 1 0 1 A 72 72 GLU CB C 72 30.213 29.161 1.052 1
1 691 . 1 0 1 A 72 72 GLU N N 72 119.670 119.860 -0.190 1
1 692 . 1 0 1 A 73 73 ILE H H 73 8.193 7.749 0.444 1
1 693 . 1 0 1 A 73 73 ILE HA H 73 3.312 3.897 -0.585 1
1 703 . 1 0 1 A 73 73 ILE CA C 73 66.520 63.372 3.148 1
1 704 . 1 0 1 A 73 73 ILE CB C 73 38.344 37.353 0.991 1
1 708 . 1 0 1 A 73 73 ILE N N 73 121.390 120.601 0.789 1
1 709 . 1 0 1 A 74 74 HIS H H 74 8.624 8.008 0.616 1
1 710 . 1 0 1 A 74 74 HIS HA H 74 4.174 4.105 0.069 1
1 714 . 1 0 1 A 74 74 HIS CA C 74 59.179 60.124 -0.945 1
1 715 . 1 0 1 A 74 74 HIS CB C 74 28.498 30.050 -1.552 1
1 718 . 1 0 1 A 74 74 HIS N N 74 119.430 121.481 -2.051 1
1 719 . 1 0 1 A 75 75 ASP H H 75 8.824 8.065 0.759 1
1 720 . 1 0 1 A 75 75 ASP HA H 75 4.276 4.100 0.176 1
1 722 . 1 0 1 A 75 75 ASP CA C 75 56.474 56.789 -0.315 1
1 723 . 1 0 1 A 75 75 ASP CB C 75 38.100 40.188 -2.088 1
1 724 . 1 0 1 A 75 75 ASP N N 75 119.980 118.960 1.020 1
1 725 . 1 0 1 A 76 76 ALA H H 76 8.064 8.424 -0.360 1
1 726 . 1 0 1 A 76 76 ALA HA H 76 4.012 4.155 -0.143 1
1 730 . 1 0 1 A 76 76 ALA CA C 76 54.988 55.008 -0.020 1
1 731 . 1 0 1 A 76 76 ALA CB C 76 20.747 18.249 2.498 1
1 732 . 1 0 1 A 76 76 ALA N N 76 125.030 122.724 2.306 1
1 733 . 1 0 1 A 77 77 ALA H H 77 8.659 8.016 0.643 1
1 734 . 1 0 1 A 77 77 ALA HA H 77 3.613 4.731 -1.118 1
1 738 . 1 0 1 A 77 77 ALA CA C 77 55.772 53.740 2.032 1
1 739 . 1 0 1 A 77 77 ALA CB C 77 18.217 18.677 -0.460 1
1 740 . 1 0 1 A 77 77 ALA N N 77 122.060 120.545 1.515 1
1 741 . 1 0 1 A 78 78 THR H H 78 7.651 7.381 0.270 1
1 742 . 1 0 1 A 78 78 THR HA H 78 3.762 3.962 -0.200 1
1 747 . 1 0 1 A 78 78 THR CA C 78 66.360 64.929 1.431 1
1 748 . 1 0 1 A 78 78 THR CB C 78 68.873 69.142 -0.269 1
1 750 . 1 0 1 A 78 78 THR N N 78 113.580 112.503 1.077 1
1 751 . 1 0 1 A 79 79 ALA H H 79 7.291 7.543 -0.252 1
1 752 . 1 0 1 A 79 79 ALA HA H 79 4.022 4.168 -0.146 1
1 756 . 1 0 1 A 79 79 ALA CA C 79 54.713 51.670 3.043 1
1 757 . 1 0 1 A 79 79 ALA CB C 79 18.695 18.588 0.107 1
1 758 . 1 0 1 A 79 79 ALA N N 79 123.330 118.752 4.578 1
1 759 . 1 0 1 A 80 80 CYS H H 80 7.781 7.772 0.009 1
1 760 . 1 0 1 A 80 80 CYS HA H 80 4.295 4.917 -0.622 1
1 762 . 1 0 1 A 80 80 CYS CA C 80 57.577 57.227 0.350 1
1 763 . 1 0 1 A 80 80 CYS CB C 80 43.192 40.239 2.953 1
1 764 . 1 0 1 A 80 80 CYS N N 80 115.190 115.060 0.130 1
1 765 . 1 0 1 A 81 81 ASP H H 81 7.323 7.890 -0.567 1
1 766 . 1 0 1 A 81 81 ASP HA H 81 4.743 5.026 -0.283 1
1 769 . 1 0 1 A 81 81 ASP CA C 81 52.419 51.742 0.677 1
1 770 . 1 0 1 A 81 81 ASP CB C 81 40.376 41.278 -0.902 1
1 771 . 1 0 1 A 81 81 ASP N N 81 121.570 120.679 0.891 1
1 772 . 1 0 1 A 82 82 PRO HA H 82 4.312 4.622 -0.310 1
1 777 . 1 0 1 A 82 82 PRO CA C 82 64.427 63.929 0.498 1
1 778 . 1 0 1 A 82 82 PRO CB C 82 32.685 32.669 0.016 1
1 780 . 1 0 1 A 83 83 GLU H H 83 8.036 8.254 -0.218 1
1 781 . 1 0 1 A 83 83 GLU HA H 83 4.126 4.416 -0.290 1
1 785 . 1 0 1 A 83 83 GLU CA C 83 56.523 57.262 -0.739 1
1 786 . 1 0 1 A 83 83 GLU CB C 83 28.819 31.832 -3.013 1
1 788 . 1 0 1 A 83 83 GLU N N 83 118.550 117.250 1.300 1
1 789 . 1 0 1 A 84 84 ALA H H 84 7.695 7.945 -0.250 1
1 790 . 1 0 1 A 84 84 ALA HA H 84 4.083 3.996 0.087 1
1 794 . 1 0 1 A 84 84 ALA CA C 84 52.963 54.877 -1.914 1
1 795 . 1 0 1 A 84 84 ALA CB C 84 19.516 19.222 0.294 1
1 796 . 1 0 1 A 84 84 ALA N N 84 123.730 121.475 2.255 1
1 797 . 1 0 1 A 85 85 HIS H H 85 8.078 7.776 0.302 1
1 798 . 1 0 1 A 85 85 HIS HA H 85 4.529 5.180 -0.651 1
1 803 . 1 0 1 A 85 85 HIS CA C 85 55.480 54.640 0.840 1
1 804 . 1 0 1 A 85 85 HIS CB C 85 29.115 32.947 -3.832 1
1 807 . 1 0 1 A 85 85 HIS N N 85 117.030 112.749 4.281 1
1 808 . 1 0 1 A 86 86 HIS H H 86 8.352 9.038 -0.686 1
1 809 . 1 0 1 A 86 86 HIS HA H 86 4.596 4.547 0.049 1
1 814 . 1 0 1 A 86 86 HIS CA C 86 55.496 58.067 -2.571 1
1 815 . 1 0 1 A 86 86 HIS CB C 86 29.414 30.491 -1.077 1
1 818 . 1 0 1 A 86 86 HIS N N 86 120.170 120.777 -0.607 1
1 819 . 1 0 1 A 87 87 GLU H H 87 8.300 8.018 0.282 1
1 820 . 1 0 1 A 87 87 GLU HA H 87 4.194 4.692 -0.498 1
1 823 . 1 0 1 A 87 87 GLU CA C 87 56.264 55.260 1.004 1
1 824 . 1 0 1 A 87 87 GLU CB C 87 29.329 32.662 -3.333 1
1 826 . 1 0 1 A 87 87 GLU N N 87 121.850 116.495 5.355 1
1 827 . 1 0 1 A 88 88 HIS H H 88 8.524 9.583 -1.059 1
1 828 . 1 0 1 A 88 88 HIS HA H 88 4.597 3.752 0.845 1
1 832 . 1 0 1 A 88 88 HIS CA C 88 55.621 59.606 -3.985 1
1 833 . 1 0 1 A 88 88 HIS CB C 88 29.150 29.868 -0.718 1
1 836 . 1 0 1 A 88 88 HIS N N 88 119.750 125.393 -5.643 1
1 837 . 1 0 1 A 89 89 ASP H H 89 8.343 8.045 0.298 1
1 838 . 1 0 1 A 89 89 ASP HA H 89 4.579 4.524 0.055 1
1 840 . 1 0 1 A 89 89 ASP CA C 89 53.805 56.305 -2.500 1
1 841 . 1 0 1 A 89 89 ASP CB C 89 38.560 40.594 -2.034 1
1 842 . 1 0 1 A 89 89 ASP N N 89 120.950 119.101 1.849 1
1 9 . 2 0 1 A 2 2 HIS H H 2 8.902 8.931 -0.029 1
1 10 . 2 0 1 A 2 2 HIS HA H 2 4.665 4.009 0.656 1
1 14 . 2 0 1 A 2 2 HIS CA C 2 55.744 57.141 -1.397 1
1 15 . 2 0 1 A 2 2 HIS CB C 2 29.481 28.424 1.057 1
1 18 . 2 0 1 A 2 2 HIS N N 2 122.160 122.579 -0.419 1
1 19 . 2 0 1 A 3 3 GLN H H 3 8.624 8.330 0.294 1
1 20 . 2 0 1 A 3 3 GLN HA H 3 4.265 3.887 0.378 1
1 24 . 2 0 1 A 3 3 GLN CA C 3 55.961 57.303 -1.342 1
1 25 . 2 0 1 A 3 3 GLN CB C 3 29.727 26.855 2.872 1
1 27 . 2 0 1 A 3 3 GLN N N 3 123.710 111.492 12.218 1
1 29 . 2 0 1 A 4 4 GLU H H 4 8.499 8.547 -0.048 1
1 30 . 2 0 1 A 4 4 GLU HA H 4 4.250 4.000 0.250 1
1 33 . 2 0 1 A 4 4 GLU CA C 4 56.888 57.453 -0.565 1
1 34 . 2 0 1 A 4 4 GLU CB C 4 29.316 28.095 1.221 1
1 36 . 2 0 1 A 4 4 GLU N N 4 123.160 111.028 12.132 1
1 37 . 2 0 1 A 5 5 LEU H H 5 8.464 7.950 0.514 1
1 38 . 2 0 1 A 5 5 LEU HA H 5 4.004 4.048 -0.044 1
1 50 . 2 0 1 A 5 5 LEU N N 5 123.070 120.218 2.852 1
1 51 . 2 0 1 A 6 6 CYS H H 6 7.980 7.811 0.169 1
1 52 . 2 0 1 A 6 6 CYS HA H 6 4.565 4.999 -0.434 1
1 55 . 2 0 1 A 6 6 CYS N N 6 113.540 115.415 -1.875 1
1 56 . 2 0 1 A 7 7 THR H H 7 7.639 8.513 -0.874 1
1 57 . 2 0 1 A 7 7 THR HA H 7 4.344 3.765 0.579 1
1 62 . 2 0 1 A 7 7 THR CA C 7 61.772 66.452 -4.680 1
1 63 . 2 0 1 A 7 7 THR CB C 7 69.825 66.871 2.954 1
1 65 . 2 0 1 A 7 7 THR N N 7 108.740 109.131 -0.391 1
1 66 . 2 0 1 A 8 8 LYS H H 8 7.380 8.611 -1.231 1
1 67 . 2 0 1 A 8 8 LYS HA H 8 4.174 4.209 -0.035 1
1 72 . 2 0 1 A 8 8 LYS CA C 8 56.632 55.397 1.235 1
1 73 . 2 0 1 A 8 8 LYS CB C 8 34.166 31.388 2.778 1
1 75 . 2 0 1 A 8 8 LYS N N 8 122.500 116.329 6.171 1
1 76 . 2 0 1 A 9 9 GLY H H 9 8.554 8.050 0.504 1
1 77 . 2 0 1 A 9 9 GLY HA2 H 9 4.027 3.286 0.741 1
1 78 . 2 0 1 A 9 9 GLY HA3 H 9 3.868 3.518 0.350 1
1 79 . 2 0 1 A 9 9 GLY CA C 9 45.101 44.420 0.681 1
1 80 . 2 0 1 A 9 9 GLY N N 9 108.960 109.875 -0.915 1
1 81 . 2 0 1 A 10 10 ASP H H 10 8.455 8.418 0.037 1
1 82 . 2 0 1 A 10 10 ASP HA H 10 4.146 4.446 -0.300 1
1 84 . 2 0 1 A 10 10 ASP CA C 10 57.568 56.326 1.242 1
1 85 . 2 0 1 A 10 10 ASP CB C 10 38.723 40.184 -1.461 1
1 86 . 2 0 1 A 10 10 ASP N N 10 118.550 120.582 -2.032 1
1 87 . 2 0 1 A 11 11 ASP H H 11 8.538 8.248 0.290 1
1 88 . 2 0 1 A 11 11 ASP HA H 11 4.262 4.293 -0.031 1
1 90 . 2 0 1 A 11 11 ASP CA C 11 56.696 57.675 -0.979 1
1 91 . 2 0 1 A 11 11 ASP CB C 11 37.812 41.666 -3.854 1
1 92 . 2 0 1 A 11 11 ASP N N 11 118.150 120.944 -2.794 1
1 93 . 2 0 1 A 12 12 ALA H H 12 7.935 7.574 0.361 1
1 94 . 2 0 1 A 12 12 ALA HA H 12 4.052 4.236 -0.184 1
1 98 . 2 0 1 A 12 12 ALA CA C 12 55.104 53.999 1.105 1
1 99 . 2 0 1 A 12 12 ALA CB C 12 19.122 18.577 0.545 1
1 100 . 2 0 1 A 12 12 ALA N N 12 123.880 121.349 2.531 1
1 101 . 2 0 1 A 13 13 LEU H H 13 8.367 8.002 0.365 1
1 102 . 2 0 1 A 13 13 LEU HA H 13 4.524 3.976 0.548 1
1 104 . 2 0 1 A 13 13 LEU CA C 13 54.138 57.736 -3.598 1
1 105 . 2 0 1 A 13 13 LEU CB C 13 39.063 41.450 -2.387 1
1 106 . 2 0 1 A 13 13 LEU N N 13 120.800 121.436 -0.636 1
1 107 . 2 0 1 A 14 14 VAL H H 14 8.127 8.307 -0.180 1
1 108 . 2 0 1 A 14 14 VAL HA H 14 3.354 3.558 -0.204 1
1 116 . 2 0 1 A 14 14 VAL CA C 14 67.895 66.779 1.116 1
1 117 . 2 0 1 A 14 14 VAL CB C 14 32.471 31.589 0.882 1
1 120 . 2 0 1 A 14 14 VAL N N 14 121.290 118.775 2.515 1
1 121 . 2 0 1 A 15 15 THR H H 15 7.813 8.029 -0.216 1
1 122 . 2 0 1 A 15 15 THR HA H 15 3.824 3.752 0.072 1
1 127 . 2 0 1 A 15 15 THR CA C 15 66.838 66.799 0.039 1
1 128 . 2 0 1 A 15 15 THR CB C 15 69.152 68.788 0.364 1
1 130 . 2 0 1 A 15 15 THR N N 15 115.770 116.282 -0.512 1
1 131 . 2 0 1 A 16 16 GLU H H 16 8.201 9.002 -0.801 1
1 132 . 2 0 1 A 16 16 GLU HA H 16 4.134 3.871 0.263 1
1 136 . 2 0 1 A 16 16 GLU CA C 16 60.219 59.351 0.868 1
1 137 . 2 0 1 A 16 16 GLU CB C 16 27.443 28.863 -1.420 1
1 139 . 2 0 1 A 16 16 GLU N N 16 123.330 119.283 4.047 1
1 140 . 2 0 1 A 17 17 LEU H H 17 8.637 8.301 0.336 1
1 141 . 2 0 1 A 17 17 LEU HA H 17 3.779 3.986 -0.207 1
1 145 . 2 0 1 A 17 17 LEU CA C 17 58.646 58.026 0.620 1
1 146 . 2 0 1 A 17 17 LEU CB C 17 41.289 41.343 -0.054 1
1 147 . 2 0 1 A 17 17 LEU N N 17 119.350 121.908 -2.558 1
1 148 . 2 0 1 A 18 18 GLU H H 18 7.903 8.134 -0.231 1
1 149 . 2 0 1 A 18 18 GLU HA H 18 4.048 3.957 0.091 1
1 153 . 2 0 1 A 18 18 GLU CA C 18 59.140 59.633 -0.493 1
1 154 . 2 0 1 A 18 18 GLU CB C 18 27.587 28.904 -1.317 1
1 156 . 2 0 1 A 18 18 GLU N N 18 122.730 116.988 5.742 1
1 157 . 2 0 1 A 19 19 CYS H H 19 7.231 7.491 -0.260 1
1 158 . 2 0 1 A 19 19 CYS HA H 19 4.135 4.651 -0.516 1
1 161 . 2 0 1 A 19 19 CYS CA C 19 60.041 56.427 3.614 1
1 162 . 2 0 1 A 19 19 CYS CB C 19 39.419 42.712 -3.293 1
1 163 . 2 0 1 A 19 19 CYS N N 19 120.230 117.566 2.664 1
1 164 . 2 0 1 A 20 20 ILE H H 20 8.433 7.691 0.742 1
1 165 . 2 0 1 A 20 20 ILE HA H 20 3.288 3.973 -0.685 1
1 174 . 2 0 1 A 20 20 ILE CA C 20 66.135 64.326 1.809 1
1 175 . 2 0 1 A 20 20 ILE CB C 20 39.423 37.981 1.442 1
1 179 . 2 0 1 A 20 20 ILE N N 20 122.030 120.065 1.965 1
1 180 . 2 0 1 A 21 21 ARG H H 21 7.644 7.996 -0.352 1
1 181 . 2 0 1 A 21 21 ARG HA H 21 3.823 4.266 -0.443 1
1 183 . 2 0 1 A 21 21 ARG CA C 21 59.557 56.775 2.782 1
1 184 . 2 0 1 A 21 21 ARG CB C 21 30.680 30.383 0.297 1
1 187 . 2 0 1 A 21 21 ARG N N 21 119.330 121.904 -2.574 1
1 188 . 2 0 1 A 22 22 LEU H H 22 6.877 7.609 -0.732 1
1 189 . 2 0 1 A 22 22 LEU HA H 22 4.111 4.232 -0.121 1
1 199 . 2 0 1 A 22 22 LEU CA C 22 56.458 54.510 1.948 1
1 200 . 2 0 1 A 22 22 LEU CB C 22 42.824 41.133 1.691 1
1 204 . 2 0 1 A 22 22 LEU N N 22 114.780 115.460 -0.680 1
1 205 . 2 0 1 A 23 23 ARG H H 23 7.570 8.195 -0.625 1
1 206 . 2 0 1 A 23 23 ARG HA H 23 4.384 4.034 0.350 1
1 212 . 2 0 1 A 23 23 ARG CA C 23 56.733 56.984 -0.251 1
1 213 . 2 0 1 A 23 23 ARG CB C 23 33.160 28.794 4.366 1
1 216 . 2 0 1 A 23 23 ARG N N 23 117.100 118.732 -1.632 1
1 218 . 2 0 1 A 24 24 ILE H H 24 7.041 8.116 -1.075 1
1 219 . 2 0 1 A 24 24 ILE HA H 24 4.653 4.284 0.369 1
1 229 . 2 0 1 A 24 24 ILE CA C 24 60.889 61.552 -0.663 1
1 230 . 2 0 1 A 24 24 ILE CB C 24 40.480 38.611 1.869 1
1 234 . 2 0 1 A 24 24 ILE N N 24 112.510 121.854 -9.344 1
1 235 . 2 0 1 A 25 25 SER H H 25 8.441 8.918 -0.477 1
1 236 . 2 0 1 A 25 25 SER HA H 25 4.572 4.562 0.010 1
1 239 . 2 0 1 A 25 25 SER CA C 25 58.047 60.643 -2.596 1
1 240 . 2 0 1 A 25 25 SER CB C 25 63.703 64.719 -1.016 1
1 241 . 2 0 1 A 25 25 SER N N 25 116.820 121.045 -4.225 1
1 242 . 2 0 1 A 26 26 PRO HA H 26 4.457 4.480 -0.023 1
1 248 . 2 0 1 A 26 26 PRO CA C 26 66.703 62.503 4.200 1
1 249 . 2 0 1 A 26 26 PRO CB C 26 32.374 32.874 -0.500 1
1 252 . 2 0 1 A 27 27 GLU H H 27 8.543 8.743 -0.200 1
1 253 . 2 0 1 A 27 27 GLU HA H 27 4.170 4.059 0.111 1
1 257 . 2 0 1 A 27 27 GLU CA C 27 60.003 59.006 0.997 1
1 258 . 2 0 1 A 27 27 GLU CB C 27 27.944 29.085 -1.141 1
1 260 . 2 0 1 A 27 27 GLU N N 27 117.750 121.624 -3.874 1
1 261 . 2 0 1 A 28 28 THR H H 28 8.099 7.826 0.273 1
1 262 . 2 0 1 A 28 28 THR HA H 28 4.178 2.806 1.372 1
1 267 . 2 0 1 A 28 28 THR CA C 28 67.201 65.602 1.599 1
1 268 . 2 0 1 A 28 28 THR CB C 28 67.314 69.162 -1.848 1
1 270 . 2 0 1 A 28 28 THR N N 28 122.040 115.386 6.654 1
1 271 . 2 0 1 A 29 29 ASN H H 29 8.621 8.011 0.610 1
1 272 . 2 0 1 A 29 29 ASN HA H 29 4.522 4.451 0.071 1
1 276 . 2 0 1 A 29 29 ASN CA C 29 58.319 56.182 2.137 1
1 277 . 2 0 1 A 29 29 ASN CB C 29 39.553 37.980 1.573 1
1 278 . 2 0 1 A 29 29 ASN N N 29 122.850 118.886 3.964 1
1 280 . 2 0 1 A 30 30 ALA H H 30 8.185 8.114 0.071 1
1 281 . 2 0 1 A 30 30 ALA HA H 30 4.141 4.050 0.091 1
1 285 . 2 0 1 A 30 30 ALA CA C 30 55.716 55.062 0.654 1
1 286 . 2 0 1 A 30 30 ALA CB C 30 17.815 18.434 -0.619 1
1 287 . 2 0 1 A 30 30 ALA N N 30 123.330 122.697 0.633 1
1 288 . 2 0 1 A 31 31 ALA H H 31 7.852 8.330 -0.478 1
1 289 . 2 0 1 A 31 31 ALA HA H 31 4.182 3.651 0.531 1
1 293 . 2 0 1 A 31 31 ALA CA C 31 55.395 54.709 0.686 1
1 294 . 2 0 1 A 31 31 ALA CB C 31 18.712 18.719 -0.007 1
1 295 . 2 0 1 A 31 31 ALA N N 31 122.920 119.646 3.274 1
1 296 . 2 0 1 A 32 32 PHE H H 32 8.497 7.512 0.985 1
1 297 . 2 0 1 A 32 32 PHE HA H 32 4.300 4.364 -0.064 1
1 303 . 2 0 1 A 32 32 PHE CA C 32 59.972 61.569 -1.597 1
1 304 . 2 0 1 A 32 32 PHE CB C 32 39.152 38.362 0.790 1
1 308 . 2 0 1 A 32 32 PHE N N 32 123.980 116.348 7.632 1
1 309 . 2 0 1 A 33 33 ASP H H 33 8.380 8.280 0.100 1
1 310 . 2 0 1 A 33 33 ASP HA H 33 4.298 4.293 0.005 1
1 313 . 2 0 1 A 33 33 ASP CA C 33 57.394 57.761 -0.367 1
1 314 . 2 0 1 A 33 33 ASP CB C 33 38.380 41.180 -2.800 1
1 315 . 2 0 1 A 33 33 ASP N N 33 119.640 120.319 -0.679 1
1 316 . 2 0 1 A 34 34 ASN H H 34 7.854 8.007 -0.153 1
1 317 . 2 0 1 A 34 34 ASN HA H 34 4.410 4.379 0.031 1
1 321 . 2 0 1 A 34 34 ASN CA C 34 56.974 56.374 0.600 1
1 322 . 2 0 1 A 34 34 ASN CB C 34 38.740 38.864 -0.124 1
1 323 . 2 0 1 A 34 34 ASN N N 34 119.710 117.605 2.105 1
1 325 . 2 0 1 A 35 35 ALA H H 35 7.743 8.136 -0.393 1
1 326 . 2 0 1 A 35 35 ALA HA H 35 2.999 4.010 -1.011 1
1 330 . 2 0 1 A 35 35 ALA CA C 35 55.881 55.013 0.868 1
1 331 . 2 0 1 A 35 35 ALA CB C 35 17.360 18.897 -1.537 1
1 332 . 2 0 1 A 35 35 ALA N N 35 123.520 121.528 1.992 1
1 333 . 2 0 1 A 36 36 VAL H H 36 7.802 9.206 -1.404 1
1 334 . 2 0 1 A 36 36 VAL HA H 36 2.973 3.491 -0.518 1
1 342 . 2 0 1 A 36 36 VAL CA C 36 67.829 66.495 1.334 1
1 343 . 2 0 1 A 36 36 VAL CB C 36 32.410 31.653 0.757 1
1 346 . 2 0 1 A 36 36 VAL N N 36 115.430 118.049 -2.619 1
1 347 . 2 0 1 A 37 37 GLN H H 37 7.027 8.031 -1.004 1
1 348 . 2 0 1 A 37 37 GLN HA H 37 4.093 3.980 0.113 1
1 353 . 2 0 1 A 37 37 GLN CA C 37 59.039 59.464 -0.425 1
1 354 . 2 0 1 A 37 37 GLN CB C 37 28.910 28.534 0.376 1
1 356 . 2 0 1 A 37 37 GLN N N 37 116.140 119.878 -3.738 1
1 358 . 2 0 1 A 38 38 GLN H H 38 8.443 7.815 0.628 1
1 359 . 2 0 1 A 38 38 GLN HA H 38 3.939 3.950 -0.011 1
1 365 . 2 0 1 A 38 38 GLN CA C 38 58.748 58.843 -0.095 1
1 366 . 2 0 1 A 38 38 GLN CB C 38 28.854 28.518 0.336 1
1 368 . 2 0 1 A 38 38 GLN N N 38 120.080 118.764 1.316 1
1 370 . 2 0 1 A 39 39 LEU H H 39 7.565 7.687 -0.122 1
1 371 . 2 0 1 A 39 39 LEU HA H 39 4.199 4.008 0.191 1
1 380 . 2 0 1 A 39 39 LEU CA C 39 54.901 57.737 -2.836 1
1 381 . 2 0 1 A 39 39 LEU CB C 39 42.208 41.837 0.371 1
1 383 . 2 0 1 A 39 39 LEU N N 39 117.930 117.236 0.694 1
1 384 . 2 0 1 A 40 40 ASN H H 40 7.976 8.302 -0.326 1
1 385 . 2 0 1 A 40 40 ASN HA H 40 4.313 4.495 -0.182 1
1 389 . 2 0 1 A 40 40 ASN CA C 40 54.625 53.923 0.702 1
1 390 . 2 0 1 A 40 40 ASN CB C 40 36.903 36.456 0.447 1
1 391 . 2 0 1 A 40 40 ASN N N 40 118.780 116.758 2.022 1
1 393 . 2 0 1 A 41 41 CYS H H 41 7.833 7.956 -0.123 1
1 394 . 2 0 1 A 41 41 CYS HA H 41 4.888 4.341 0.547 1
1 397 . 2 0 1 A 41 41 CYS CA C 41 55.148 59.520 -4.372 1
1 398 . 2 0 1 A 41 41 CYS CB C 41 42.078 42.477 -0.399 1
1 399 . 2 0 1 A 41 41 CYS N N 41 115.600 119.318 -3.718 1
1 400 . 2 0 1 A 42 42 LEU H H 42 8.371 7.645 0.726 1
1 401 . 2 0 1 A 42 42 LEU HA H 42 4.340 4.444 -0.104 1
1 410 . 2 0 1 A 42 42 LEU CA C 42 55.342 55.868 -0.526 1
1 411 . 2 0 1 A 42 42 LEU CB C 42 43.358 44.876 -1.518 1
1 415 . 2 0 1 A 42 42 LEU N N 42 116.770 119.774 -3.004 1
1 416 . 2 0 1 A 43 43 ASN H H 43 7.025 7.769 -0.744 1
1 417 . 2 0 1 A 43 43 ASN HA H 43 4.767 4.945 -0.178 1
1 422 . 2 0 1 A 43 43 ASN CA C 43 51.715 52.211 -0.496 1
1 423 . 2 0 1 A 43 43 ASN CB C 43 41.011 39.834 1.177 1
1 424 . 2 0 1 A 43 43 ASN N N 43 111.360 113.169 -1.809 1
1 426 . 2 0 1 A 44 44 ARG H H 44 8.735 8.985 -0.250 1
1 427 . 2 0 1 A 44 44 ARG HA H 44 3.868 3.950 -0.082 1
1 431 . 2 0 1 A 44 44 ARG CA C 44 60.307 59.631 0.676 1
1 432 . 2 0 1 A 44 44 ARG CB C 44 30.895 29.760 1.135 1
1 433 . 2 0 1 A 44 44 ARG N N 44 118.870 119.354 -0.484 1
1 434 . 2 0 1 A 45 45 ALA H H 45 8.381 8.066 0.315 1
1 435 . 2 0 1 A 45 45 ALA HA H 45 3.814 4.084 -0.270 1
1 439 . 2 0 1 A 45 45 ALA CA C 45 56.384 55.132 1.252 1
1 440 . 2 0 1 A 45 45 ALA CB C 45 17.800 17.961 -0.161 1
1 441 . 2 0 1 A 45 45 ALA N N 45 125.360 121.418 3.942 1
1 442 . 2 0 1 A 46 46 CYS H H 46 8.027 8.044 -0.017 1
1 443 . 2 0 1 A 46 46 CYS HA H 46 4.168 4.351 -0.183 1
1 446 . 2 0 1 A 46 46 CYS CA C 46 59.006 58.555 0.451 1
1 447 . 2 0 1 A 46 46 CYS CB C 46 33.410 42.174 -8.764 1
1 448 . 2 0 1 A 46 46 CYS N N 46 117.400 117.129 0.271 1
1 449 . 2 0 1 A 47 47 ALA H H 47 7.144 7.968 -0.824 1
1 450 . 2 0 1 A 47 47 ALA HA H 47 3.837 4.067 -0.230 1
1 454 . 2 0 1 A 47 47 ALA CA C 47 55.130 54.867 0.263 1
1 455 . 2 0 1 A 47 47 ALA CB C 47 19.618 18.415 1.203 1
1 456 . 2 0 1 A 47 47 ALA N N 47 123.130 123.017 0.113 1
1 457 . 2 0 1 A 48 48 TYR H H 48 8.841 8.064 0.777 1
1 458 . 2 0 1 A 48 48 TYR HA H 48 3.896 4.140 -0.244 1
1 462 . 2 0 1 A 48 48 TYR CA C 48 63.769 62.367 1.402 1
1 463 . 2 0 1 A 48 48 TYR CB C 48 40.446 37.914 2.532 1
1 466 . 2 0 1 A 48 48 TYR N N 48 120.860 117.877 2.983 1
1 467 . 2 0 1 A 49 49 ARG H H 49 8.501 8.598 -0.097 1
1 468 . 2 0 1 A 49 49 ARG HA H 49 3.840 4.066 -0.226 1
1 470 . 2 0 1 A 49 49 ARG CA C 49 60.324 59.687 0.637 1
1 471 . 2 0 1 A 49 49 ARG CB C 49 29.890 29.994 -0.104 1
1 472 . 2 0 1 A 49 49 ARG N N 49 117.110 118.855 -1.745 1
1 473 . 2 0 1 A 50 50 LYS H H 50 7.817 7.863 -0.046 1
1 474 . 2 0 1 A 50 50 LYS HA H 50 3.965 4.186 -0.221 1
1 477 . 2 0 1 A 50 50 LYS CA C 50 61.111 58.989 2.122 1
1 478 . 2 0 1 A 50 50 LYS CB C 50 33.272 31.761 1.511 1
1 479 . 2 0 1 A 50 50 LYS N N 50 119.510 119.289 0.221 1
1 480 . 2 0 1 A 51 51 MET H H 51 7.934 8.194 -0.260 1
1 481 . 2 0 1 A 51 51 MET HA H 51 4.199 4.098 0.101 1
1 484 . 2 0 1 A 51 51 MET CA C 51 60.407 58.452 1.955 1
1 485 . 2 0 1 A 51 51 MET CB C 51 33.492 31.880 1.612 1
1 487 . 2 0 1 A 51 51 MET N N 51 119.740 118.688 1.052 1
1 488 . 2 0 1 A 52 52 CYS H H 52 8.545 8.423 0.122 1
1 489 . 2 0 1 A 52 52 CYS HA H 52 4.018 4.489 -0.471 1
1 492 . 2 0 1 A 52 52 CYS CA C 52 60.109 58.798 1.311 1
1 493 . 2 0 1 A 52 52 CYS CB C 52 40.790 41.971 -1.181 1
1 494 . 2 0 1 A 52 52 CYS N N 52 119.160 117.728 1.432 1
1 495 . 2 0 1 A 53 53 ALA H H 53 7.626 7.671 -0.045 1
1 496 . 2 0 1 A 53 53 ALA HA H 53 4.182 4.291 -0.109 1
1 500 . 2 0 1 A 53 53 ALA CA C 53 54.149 54.629 -0.480 1
1 501 . 2 0 1 A 53 53 ALA CB C 53 18.492 19.350 -0.858 1
1 502 . 2 0 1 A 53 53 ALA N N 53 122.360 122.210 0.150 1
1 503 . 2 0 1 A 54 54 THR H H 54 7.041 7.961 -0.920 1
1 504 . 2 0 1 A 54 54 THR HA H 54 4.180 4.638 -0.458 1
1 509 . 2 0 1 A 54 54 THR CA C 54 63.143 60.642 2.501 1
1 510 . 2 0 1 A 54 54 THR CB C 54 71.301 68.898 2.403 1
1 512 . 2 0 1 A 54 54 THR N N 54 107.780 106.909 0.871 1
1 513 . 2 0 1 A 55 55 ASN H H 55 8.071 8.080 -0.009 1
1 514 . 2 0 1 A 55 55 ASN HA H 55 4.409 4.771 -0.362 1
1 518 . 2 0 1 A 55 55 ASN CA C 55 55.475 55.434 0.041 1
1 519 . 2 0 1 A 55 55 ASN CB C 55 38.226 37.376 0.850 1
1 520 . 2 0 1 A 55 55 ASN N N 55 114.220 116.159 -1.939 1
1 522 . 2 0 1 A 56 56 ASN H H 56 7.751 8.200 -0.449 1
1 523 . 2 0 1 A 56 56 ASN HA H 56 4.598 4.791 -0.193 1
1 528 . 2 0 1 A 56 56 ASN CA C 56 53.301 54.582 -1.281 1
1 529 . 2 0 1 A 56 56 ASN CB C 56 38.408 39.904 -1.496 1
1 530 . 2 0 1 A 56 56 ASN N N 56 117.400 118.535 -1.135 1
1 532 . 2 0 1 A 57 57 LEU H H 57 8.623 8.422 0.201 1
1 533 . 2 0 1 A 57 57 LEU HA H 57 3.783 3.976 -0.193 1
1 536 . 2 0 1 A 57 57 LEU CA C 57 58.796 57.627 1.169 1
1 537 . 2 0 1 A 57 57 LEU CB C 57 42.709 41.770 0.939 1
1 538 . 2 0 1 A 57 57 LEU N N 57 127.190 122.201 4.989 1
1 539 . 2 0 1 A 58 58 GLU H H 58 8.353 8.684 -0.331 1
1 540 . 2 0 1 A 58 58 GLU HA H 58 3.792 4.180 -0.388 1
1 543 . 2 0 1 A 58 58 GLU CA C 58 60.263 58.133 2.130 1
1 544 . 2 0 1 A 58 58 GLU CB C 58 27.565 27.885 -0.320 1
1 546 . 2 0 1 A 58 58 GLU N N 58 117.370 117.243 0.127 1
1 547 . 2 0 1 A 59 59 GLN H H 59 7.434 7.955 -0.521 1
1 548 . 2 0 1 A 59 59 GLN HA H 59 3.850 3.986 -0.136 1
1 553 . 2 0 1 A 59 59 GLN CA C 59 58.858 59.006 -0.148 1
1 554 . 2 0 1 A 59 59 GLN CB C 59 28.858 28.962 -0.104 1
1 556 . 2 0 1 A 59 59 GLN N N 59 119.730 120.308 -0.578 1
1 558 . 2 0 1 A 60 60 ALA H H 60 8.043 7.805 0.238 1
1 559 . 2 0 1 A 60 60 ALA HA H 60 4.090 4.147 -0.057 1
1 563 . 2 0 1 A 60 60 ALA CA C 60 55.496 54.959 0.537 1
1 564 . 2 0 1 A 60 60 ALA CB C 60 19.168 18.733 0.435 1
1 565 . 2 0 1 A 60 60 ALA N N 60 124.010 120.818 3.192 1
1 566 . 2 0 1 A 61 61 MET H H 61 8.690 8.358 0.332 1
1 567 . 2 0 1 A 61 61 MET HA H 61 4.240 3.886 0.354 1
1 571 . 2 0 1 A 61 61 MET CA C 61 59.964 57.977 1.987 1
1 572 . 2 0 1 A 61 61 MET CB C 61 34.709 32.007 2.702 1
1 574 . 2 0 1 A 61 61 MET N N 61 114.840 116.966 -2.126 1
1 575 . 2 0 1 A 62 62 SER H H 62 7.697 7.707 -0.010 1
1 576 . 2 0 1 A 62 62 SER HA H 62 4.527 3.639 0.888 1
1 579 . 2 0 1 A 62 62 SER CA C 62 61.590 60.980 0.610 1
1 580 . 2 0 1 A 62 62 SER CB C 62 63.726 62.926 0.800 1
1 581 . 2 0 1 A 62 62 SER N N 62 115.290 115.230 0.060 1
1 582 . 2 0 1 A 63 63 VAL H H 63 6.876 7.715 -0.839 1
1 583 . 2 0 1 A 63 63 VAL HA H 63 3.366 3.594 -0.228 1
1 591 . 2 0 1 A 63 63 VAL CA C 63 65.247 66.397 -1.150 1
1 592 . 2 0 1 A 63 63 VAL CB C 63 32.621 31.438 1.183 1
1 595 . 2 0 1 A 63 63 VAL N N 63 120.720 122.107 -1.387 1
1 596 . 2 0 1 A 64 64 TYR H H 64 6.677 7.903 -1.226 1
1 597 . 2 0 1 A 64 64 TYR HA H 64 4.274 4.340 -0.066 1
1 602 . 2 0 1 A 64 64 TYR CA C 64 57.735 60.188 -2.453 1
1 603 . 2 0 1 A 64 64 TYR CB C 64 42.007 38.964 3.043 1
1 606 . 2 0 1 A 64 64 TYR N N 64 115.320 119.078 -3.758 1
1 607 . 2 0 1 A 65 65 PHE H H 65 8.052 7.628 0.424 1
1 608 . 2 0 1 A 65 65 PHE HA H 65 5.160 4.668 0.492 1
1 614 . 2 0 1 A 65 65 PHE CA C 65 56.486 55.880 0.606 1
1 615 . 2 0 1 A 65 65 PHE CB C 65 43.296 40.653 2.643 1
1 619 . 2 0 1 A 65 65 PHE N N 65 117.410 117.162 0.248 1
1 620 . 2 0 1 A 66 66 THR H H 66 8.302 9.087 -0.785 1
1 621 . 2 0 1 A 66 66 THR HA H 66 4.657 4.755 -0.098 1
1 626 . 2 0 1 A 66 66 THR CA C 66 60.932 60.410 0.522 1
1 627 . 2 0 1 A 66 66 THR CB C 66 71.138 71.543 -0.405 1
1 629 . 2 0 1 A 66 66 THR N N 66 111.430 113.070 -1.640 1
1 630 . 2 0 1 A 67 67 ASN H H 67 9.025 9.090 -0.065 1
1 631 . 2 0 1 A 67 67 ASN HA H 67 4.223 4.424 -0.201 1
1 636 . 2 0 1 A 67 67 ASN CA C 67 57.459 57.291 0.168 1
1 637 . 2 0 1 A 67 67 ASN CB C 67 38.180 38.147 0.033 1
1 638 . 2 0 1 A 67 67 ASN N N 67 120.120 120.519 -0.399 1
1 640 . 2 0 1 A 68 68 GLU H H 68 8.403 8.363 0.040 1
1 641 . 2 0 1 A 68 68 GLU HA H 68 3.956 4.042 -0.086 1
1 645 . 2 0 1 A 68 68 GLU CA C 68 59.700 59.470 0.230 1
1 646 . 2 0 1 A 68 68 GLU CB C 68 28.105 28.973 -0.868 1
1 648 . 2 0 1 A 68 68 GLU N N 68 120.220 117.618 2.602 1
1 649 . 2 0 1 A 69 69 GLN H H 69 7.411 8.023 -0.612 1
1 650 . 2 0 1 A 69 69 GLN HA H 69 3.822 3.916 -0.094 1
1 657 . 2 0 1 A 69 69 GLN CA C 69 58.952 58.915 0.037 1
1 658 . 2 0 1 A 69 69 GLN CB C 69 28.418 28.000 0.418 1
1 659 . 2 0 1 A 69 69 GLN N N 69 120.940 119.006 1.934 1
1 661 . 2 0 1 A 70 70 ILE H H 70 8.327 7.659 0.668 1
1 662 . 2 0 1 A 70 70 ILE HA H 70 3.036 3.697 -0.661 1
1 671 . 2 0 1 A 70 70 ILE CA C 70 66.926 62.180 4.746 1
1 672 . 2 0 1 A 70 70 ILE CB C 70 38.603 37.373 1.230 1
1 676 . 2 0 1 A 70 70 ILE N N 70 120.560 119.605 0.955 1
1 677 . 2 0 1 A 71 71 LYS H H 71 7.554 8.097 -0.543 1
1 678 . 2 0 1 A 71 71 LYS HA H 71 3.909 4.059 -0.150 1
1 681 . 2 0 1 A 71 71 LYS CA C 71 60.156 59.789 0.367 1
1 682 . 2 0 1 A 71 71 LYS CB C 71 32.294 32.390 -0.096 1
1 683 . 2 0 1 A 71 71 LYS N N 71 121.040 121.648 -0.608 1
1 684 . 2 0 1 A 72 72 GLU H H 72 7.885 7.928 -0.043 1
1 685 . 2 0 1 A 72 72 GLU HA H 72 3.989 4.116 -0.127 1
1 688 . 2 0 1 A 72 72 GLU CA C 72 60.266 59.159 1.107 1
1 689 . 2 0 1 A 72 72 GLU CB C 72 30.213 29.350 0.863 1
1 691 . 2 0 1 A 72 72 GLU N N 72 119.670 118.083 1.587 1
1 692 . 2 0 1 A 73 73 ILE H H 73 8.193 7.880 0.313 1
1 693 . 2 0 1 A 73 73 ILE HA H 73 3.312 4.036 -0.724 1
1 703 . 2 0 1 A 73 73 ILE CA C 73 66.520 63.401 3.119 1
1 704 . 2 0 1 A 73 73 ILE CB C 73 38.344 37.642 0.702 1
1 708 . 2 0 1 A 73 73 ILE N N 73 121.390 120.097 1.293 1
1 709 . 2 0 1 A 74 74 HIS H H 74 8.624 8.094 0.530 1
1 710 . 2 0 1 A 74 74 HIS HA H 74 4.174 4.357 -0.183 1
1 714 . 2 0 1 A 74 74 HIS CA C 74 59.179 59.567 -0.388 1
1 715 . 2 0 1 A 74 74 HIS CB C 74 28.498 29.950 -1.452 1
1 718 . 2 0 1 A 74 74 HIS N N 74 119.430 121.788 -2.358 1
1 719 . 2 0 1 A 75 75 ASP H H 75 8.824 8.172 0.652 1
1 720 . 2 0 1 A 75 75 ASP HA H 75 4.276 4.219 0.057 1
1 722 . 2 0 1 A 75 75 ASP CA C 75 56.474 57.417 -0.943 1
1 723 . 2 0 1 A 75 75 ASP CB C 75 38.100 41.305 -3.205 1
1 724 . 2 0 1 A 75 75 ASP N N 75 119.980 118.894 1.086 1
1 725 . 2 0 1 A 76 76 ALA H H 76 8.064 8.357 -0.293 1
1 726 . 2 0 1 A 76 76 ALA HA H 76 4.012 4.176 -0.164 1
1 730 . 2 0 1 A 76 76 ALA CA C 76 54.988 55.052 -0.064 1
1 731 . 2 0 1 A 76 76 ALA CB C 76 20.747 18.121 2.626 1
1 732 . 2 0 1 A 76 76 ALA N N 76 125.030 120.910 4.120 1
1 733 . 2 0 1 A 77 77 ALA H H 77 8.659 8.253 0.406 1
1 734 . 2 0 1 A 77 77 ALA HA H 77 3.613 4.966 -1.353 1
1 738 . 2 0 1 A 77 77 ALA CA C 77 55.772 53.359 2.413 1
1 739 . 2 0 1 A 77 77 ALA CB C 77 18.217 18.783 -0.566 1
1 740 . 2 0 1 A 77 77 ALA N N 77 122.060 120.050 2.010 1
1 741 . 2 0 1 A 78 78 THR H H 78 7.651 7.490 0.161 1
1 742 . 2 0 1 A 78 78 THR HA H 78 3.762 3.992 -0.230 1
1 747 . 2 0 1 A 78 78 THR CA C 78 66.360 64.814 1.546 1
1 748 . 2 0 1 A 78 78 THR CB C 78 68.873 69.367 -0.494 1
1 750 . 2 0 1 A 78 78 THR N N 78 113.580 111.579 2.001 1
1 751 . 2 0 1 A 79 79 ALA H H 79 7.291 7.939 -0.648 1
1 752 . 2 0 1 A 79 79 ALA HA H 79 4.022 4.224 -0.202 1
1 756 . 2 0 1 A 79 79 ALA CA C 79 54.713 51.742 2.971 1
1 757 . 2 0 1 A 79 79 ALA CB C 79 18.695 18.628 0.067 1
1 758 . 2 0 1 A 79 79 ALA N N 79 123.330 118.633 4.697 1
1 759 . 2 0 1 A 80 80 CYS H H 80 7.781 7.795 -0.014 1
1 760 . 2 0 1 A 80 80 CYS HA H 80 4.295 4.911 -0.616 1
1 762 . 2 0 1 A 80 80 CYS CA C 80 57.577 57.028 0.549 1
1 763 . 2 0 1 A 80 80 CYS CB C 80 43.192 39.787 3.405 1
1 764 . 2 0 1 A 80 80 CYS N N 80 115.190 114.312 0.878 1
1 765 . 2 0 1 A 81 81 ASP H H 81 7.323 7.778 -0.455 1
1 766 . 2 0 1 A 81 81 ASP HA H 81 4.743 5.054 -0.311 1
1 769 . 2 0 1 A 81 81 ASP CA C 81 52.419 51.635 0.784 1
1 770 . 2 0 1 A 81 81 ASP CB C 81 40.376 41.410 -1.034 1
1 771 . 2 0 1 A 81 81 ASP N N 81 121.570 120.402 1.168 1
1 772 . 2 0 1 A 82 82 PRO HA H 82 4.312 4.585 -0.273 1
1 777 . 2 0 1 A 82 82 PRO CA C 82 64.427 63.442 0.985 1
1 778 . 2 0 1 A 82 82 PRO CB C 82 32.685 31.474 1.211 1
1 780 . 2 0 1 A 83 83 GLU H H 83 8.036 8.989 -0.953 1
1 781 . 2 0 1 A 83 83 GLU HA H 83 4.126 4.201 -0.075 1
1 785 . 2 0 1 A 83 83 GLU CA C 83 56.523 57.808 -1.285 1
1 786 . 2 0 1 A 83 83 GLU CB C 83 28.819 29.624 -0.805 1
1 788 . 2 0 1 A 83 83 GLU N N 83 118.550 121.809 -3.259 1
1 789 . 2 0 1 A 84 84 ALA H H 84 7.695 8.241 -0.546 1
1 790 . 2 0 1 A 84 84 ALA HA H 84 4.083 4.377 -0.294 1
1 794 . 2 0 1 A 84 84 ALA CA C 84 52.963 52.239 0.724 1
1 795 . 2 0 1 A 84 84 ALA CB C 84 19.516 20.499 -0.983 1
1 796 . 2 0 1 A 84 84 ALA N N 84 123.730 121.221 2.509 1
1 797 . 2 0 1 A 85 85 HIS H H 85 8.078 7.576 0.502 1
1 798 . 2 0 1 A 85 85 HIS HA H 85 4.529 4.675 -0.146 1
1 803 . 2 0 1 A 85 85 HIS CA C 85 55.480 55.806 -0.326 1
1 804 . 2 0 1 A 85 85 HIS CB C 85 29.115 32.779 -3.664 1
1 807 . 2 0 1 A 85 85 HIS N N 85 117.030 116.451 0.579 1
1 808 . 2 0 1 A 86 86 HIS H H 86 8.352 8.333 0.019 1
1 809 . 2 0 1 A 86 86 HIS HA H 86 4.596 4.887 -0.291 1
1 814 . 2 0 1 A 86 86 HIS CA C 86 55.496 54.220 1.276 1
1 815 . 2 0 1 A 86 86 HIS CB C 86 29.414 29.597 -0.183 1
1 818 . 2 0 1 A 86 86 HIS N N 86 120.170 122.991 -2.821 1
1 819 . 2 0 1 A 87 87 GLU H H 87 8.300 9.003 -0.703 1
1 820 . 2 0 1 A 87 87 GLU HA H 87 4.194 4.277 -0.083 1
1 823 . 2 0 1 A 87 87 GLU CA C 87 56.264 58.661 -2.397 1
1 824 . 2 0 1 A 87 87 GLU CB C 87 29.329 28.455 0.874 1
1 826 . 2 0 1 A 87 87 GLU N N 87 121.850 117.940 3.910 1
1 827 . 2 0 1 A 88 88 HIS H H 88 8.524 8.941 -0.417 1
1 828 . 2 0 1 A 88 88 HIS HA H 88 4.597 4.129 0.468 1
1 832 . 2 0 1 A 88 88 HIS CA C 88 55.621 56.892 -1.271 1
1 833 . 2 0 1 A 88 88 HIS CB C 88 29.150 28.086 1.064 1
1 836 . 2 0 1 A 88 88 HIS N N 88 119.750 120.577 -0.827 1
1 837 . 2 0 1 A 89 89 ASP H H 89 8.343 7.882 0.461 1
1 838 . 2 0 1 A 89 89 ASP HA H 89 4.579 5.119 -0.540 1
1 840 . 2 0 1 A 89 89 ASP CA C 89 53.805 54.140 -0.335 1
1 841 . 2 0 1 A 89 89 ASP CB C 89 38.560 44.727 -6.167 1
1 842 . 2 0 1 A 89 89 ASP N N 89 120.950 125.094 -4.144 1
1 9 . 3 0 1 A 2 2 HIS H H 2 8.902 9.275 -0.373 1
1 10 . 3 0 1 A 2 2 HIS HA H 2 4.665 4.159 0.506 1
1 14 . 3 0 1 A 2 2 HIS CA C 2 55.744 56.975 -1.231 1
1 15 . 3 0 1 A 2 2 HIS CB C 2 29.481 29.043 0.438 1
1 18 . 3 0 1 A 2 2 HIS N N 2 122.160 121.511 0.649 1
1 19 . 3 0 1 A 3 3 GLN H H 3 8.624 8.473 0.151 1
1 20 . 3 0 1 A 3 3 GLN HA H 3 4.265 3.890 0.375 1
1 24 . 3 0 1 A 3 3 GLN CA C 3 55.961 56.578 -0.617 1
1 25 . 3 0 1 A 3 3 GLN CB C 3 29.727 27.158 2.569 1
1 27 . 3 0 1 A 3 3 GLN N N 3 123.710 124.955 -1.245 1
1 29 . 3 0 1 A 4 4 GLU H H 4 8.499 8.536 -0.037 1
1 30 . 3 0 1 A 4 4 GLU HA H 4 4.250 4.416 -0.166 1
1 33 . 3 0 1 A 4 4 GLU CA C 4 56.888 56.878 0.010 1
1 34 . 3 0 1 A 4 4 GLU CB C 4 29.316 31.625 -2.309 1
1 36 . 3 0 1 A 4 4 GLU N N 4 123.160 117.386 5.774 1
1 37 . 3 0 1 A 5 5 LEU H H 5 8.464 8.062 0.402 1
1 38 . 3 0 1 A 5 5 LEU HA H 5 4.004 3.912 0.092 1
1 50 . 3 0 1 A 5 5 LEU N N 5 123.070 119.172 3.898 1
1 51 . 3 0 1 A 6 6 CYS H H 6 7.980 8.424 -0.444 1
1 52 . 3 0 1 A 6 6 CYS HA H 6 4.565 4.313 0.252 1
1 55 . 3 0 1 A 6 6 CYS N N 6 113.540 112.555 0.985 1
1 56 . 3 0 1 A 7 7 THR H H 7 7.639 8.076 -0.437 1
1 57 . 3 0 1 A 7 7 THR HA H 7 4.344 4.597 -0.253 1
1 62 . 3 0 1 A 7 7 THR CA C 7 61.772 61.320 0.452 1
1 63 . 3 0 1 A 7 7 THR CB C 7 69.825 68.845 0.980 1
1 65 . 3 0 1 A 7 7 THR N N 7 108.740 112.099 -3.359 1
1 66 . 3 0 1 A 8 8 LYS H H 8 7.380 7.862 -0.482 1
1 67 . 3 0 1 A 8 8 LYS HA H 8 4.174 4.369 -0.195 1
1 72 . 3 0 1 A 8 8 LYS CA C 8 56.632 55.833 0.799 1
1 73 . 3 0 1 A 8 8 LYS CB C 8 34.166 32.132 2.034 1
1 75 . 3 0 1 A 8 8 LYS N N 8 122.500 120.475 2.025 1
1 76 . 3 0 1 A 9 9 GLY H H 9 8.554 8.260 0.294 1
1 77 . 3 0 1 A 9 9 GLY HA2 H 9 4.027 3.819 0.208 1
1 78 . 3 0 1 A 9 9 GLY HA3 H 9 3.868 3.819 0.049 1
1 79 . 3 0 1 A 9 9 GLY CA C 9 45.101 46.766 -1.665 1
1 80 . 3 0 1 A 9 9 GLY N N 9 108.960 107.279 1.681 1
1 81 . 3 0 1 A 10 10 ASP H H 10 8.455 9.021 -0.566 1
1 82 . 3 0 1 A 10 10 ASP HA H 10 4.146 4.492 -0.346 1
1 84 . 3 0 1 A 10 10 ASP CA C 10 57.568 56.821 0.747 1
1 85 . 3 0 1 A 10 10 ASP CB C 10 38.723 41.154 -2.431 1
1 86 . 3 0 1 A 10 10 ASP N N 10 118.550 125.688 -7.138 1
1 87 . 3 0 1 A 11 11 ASP H H 11 8.538 8.249 0.289 1
1 88 . 3 0 1 A 11 11 ASP HA H 11 4.262 4.380 -0.118 1
1 90 . 3 0 1 A 11 11 ASP CA C 11 56.696 57.077 -0.381 1
1 91 . 3 0 1 A 11 11 ASP CB C 11 37.812 40.690 -2.878 1
1 92 . 3 0 1 A 11 11 ASP N N 11 118.150 118.911 -0.761 1
1 93 . 3 0 1 A 12 12 ALA H H 12 7.935 7.706 0.229 1
1 94 . 3 0 1 A 12 12 ALA HA H 12 4.052 4.086 -0.034 1
1 98 . 3 0 1 A 12 12 ALA CA C 12 55.104 55.102 0.002 1
1 99 . 3 0 1 A 12 12 ALA CB C 12 19.122 18.573 0.549 1
1 100 . 3 0 1 A 12 12 ALA N N 12 123.880 121.882 1.998 1
1 101 . 3 0 1 A 13 13 LEU H H 13 8.367 7.914 0.453 1
1 102 . 3 0 1 A 13 13 LEU HA H 13 4.524 4.453 0.071 1
1 104 . 3 0 1 A 13 13 LEU CA C 13 54.138 57.644 -3.506 1
1 105 . 3 0 1 A 13 13 LEU CB C 13 39.063 41.582 -2.519 1
1 106 . 3 0 1 A 13 13 LEU N N 13 120.800 119.518 1.282 1
1 107 . 3 0 1 A 14 14 VAL H H 14 8.127 7.932 0.195 1
1 108 . 3 0 1 A 14 14 VAL HA H 14 3.354 3.633 -0.279 1
1 116 . 3 0 1 A 14 14 VAL CA C 14 67.895 66.158 1.737 1
1 117 . 3 0 1 A 14 14 VAL CB C 14 32.471 31.698 0.773 1
1 120 . 3 0 1 A 14 14 VAL N N 14 121.290 118.684 2.606 1
1 121 . 3 0 1 A 15 15 THR H H 15 7.813 8.076 -0.263 1
1 122 . 3 0 1 A 15 15 THR HA H 15 3.824 3.813 0.011 1
1 127 . 3 0 1 A 15 15 THR CA C 15 66.838 67.282 -0.444 1
1 128 . 3 0 1 A 15 15 THR CB C 15 69.152 68.651 0.501 1
1 130 . 3 0 1 A 15 15 THR N N 15 115.770 116.998 -1.228 1
1 131 . 3 0 1 A 16 16 GLU H H 16 8.201 8.817 -0.616 1
1 132 . 3 0 1 A 16 16 GLU HA H 16 4.134 3.983 0.151 1
1 136 . 3 0 1 A 16 16 GLU CA C 16 60.219 59.146 1.073 1
1 137 . 3 0 1 A 16 16 GLU CB C 16 27.443 29.240 -1.797 1
1 139 . 3 0 1 A 16 16 GLU N N 16 123.330 119.749 3.581 1
1 140 . 3 0 1 A 17 17 LEU H H 17 8.637 7.790 0.847 1
1 141 . 3 0 1 A 17 17 LEU HA H 17 3.779 3.915 -0.136 1
1 145 . 3 0 1 A 17 17 LEU CA C 17 58.646 58.189 0.457 1
1 146 . 3 0 1 A 17 17 LEU CB C 17 41.289 41.612 -0.323 1
1 147 . 3 0 1 A 17 17 LEU N N 17 119.350 117.527 1.823 1
1 148 . 3 0 1 A 18 18 GLU H H 18 7.903 8.564 -0.661 1
1 149 . 3 0 1 A 18 18 GLU HA H 18 4.048 3.867 0.181 1
1 153 . 3 0 1 A 18 18 GLU CA C 18 59.140 59.447 -0.307 1
1 154 . 3 0 1 A 18 18 GLU CB C 18 27.587 29.072 -1.485 1
1 156 . 3 0 1 A 18 18 GLU N N 18 122.730 118.796 3.934 1
1 157 . 3 0 1 A 19 19 CYS H H 19 7.231 7.602 -0.371 1
1 158 . 3 0 1 A 19 19 CYS HA H 19 4.135 4.595 -0.460 1
1 161 . 3 0 1 A 19 19 CYS CA C 19 60.041 56.407 3.634 1
1 162 . 3 0 1 A 19 19 CYS CB C 19 39.419 42.636 -3.217 1
1 163 . 3 0 1 A 19 19 CYS N N 19 120.230 116.067 4.163 1
1 164 . 3 0 1 A 20 20 ILE H H 20 8.433 7.526 0.907 1
1 165 . 3 0 1 A 20 20 ILE HA H 20 3.288 3.946 -0.658 1
1 174 . 3 0 1 A 20 20 ILE CA C 20 66.135 63.857 2.278 1
1 175 . 3 0 1 A 20 20 ILE CB C 20 39.423 37.926 1.497 1
1 179 . 3 0 1 A 20 20 ILE N N 20 122.030 119.273 2.757 1
1 180 . 3 0 1 A 21 21 ARG H H 21 7.644 7.874 -0.230 1
1 181 . 3 0 1 A 21 21 ARG HA H 21 3.823 4.271 -0.448 1
1 183 . 3 0 1 A 21 21 ARG CA C 21 59.557 56.828 2.729 1
1 184 . 3 0 1 A 21 21 ARG CB C 21 30.680 30.655 0.025 1
1 187 . 3 0 1 A 21 21 ARG N N 21 119.330 121.525 -2.195 1
1 188 . 3 0 1 A 22 22 LEU H H 22 6.877 7.707 -0.830 1
1 189 . 3 0 1 A 22 22 LEU HA H 22 4.111 4.290 -0.179 1
1 199 . 3 0 1 A 22 22 LEU CA C 22 56.458 54.012 2.446 1
1 200 . 3 0 1 A 22 22 LEU CB C 22 42.824 41.180 1.644 1
1 204 . 3 0 1 A 22 22 LEU N N 22 114.780 114.870 -0.090 1
1 205 . 3 0 1 A 23 23 ARG H H 23 7.570 8.365 -0.795 1
1 206 . 3 0 1 A 23 23 ARG HA H 23 4.384 4.118 0.266 1
1 212 . 3 0 1 A 23 23 ARG CA C 23 56.733 57.477 -0.744 1
1 213 . 3 0 1 A 23 23 ARG CB C 23 33.160 29.925 3.235 1
1 216 . 3 0 1 A 23 23 ARG N N 23 117.100 118.592 -1.492 1
1 218 . 3 0 1 A 24 24 ILE H H 24 7.041 8.418 -1.377 1
1 219 . 3 0 1 A 24 24 ILE HA H 24 4.653 3.911 0.742 1
1 229 . 3 0 1 A 24 24 ILE CA C 24 60.889 63.847 -2.958 1
1 230 . 3 0 1 A 24 24 ILE CB C 24 40.480 36.668 3.812 1
1 234 . 3 0 1 A 24 24 ILE N N 24 112.510 117.225 -4.715 1
1 235 . 3 0 1 A 25 25 SER H H 25 8.441 8.272 0.169 1
1 236 . 3 0 1 A 25 25 SER HA H 25 4.572 4.646 -0.074 1
1 239 . 3 0 1 A 25 25 SER CA C 25 58.047 59.377 -1.330 1
1 240 . 3 0 1 A 25 25 SER CB C 25 63.703 65.071 -1.368 1
1 241 . 3 0 1 A 25 25 SER N N 25 116.820 116.963 -0.143 1
1 242 . 3 0 1 A 26 26 PRO HA H 26 4.457 4.544 -0.087 1
1 248 . 3 0 1 A 26 26 PRO CA C 26 66.703 62.504 4.199 1
1 249 . 3 0 1 A 26 26 PRO CB C 26 32.374 33.334 -0.960 1
1 252 . 3 0 1 A 27 27 GLU H H 27 8.543 9.370 -0.827 1
1 253 . 3 0 1 A 27 27 GLU HA H 27 4.170 4.060 0.110 1
1 257 . 3 0 1 A 27 27 GLU CA C 27 60.003 58.482 1.521 1
1 258 . 3 0 1 A 27 27 GLU CB C 27 27.944 29.765 -1.821 1
1 260 . 3 0 1 A 27 27 GLU N N 27 117.750 121.236 -3.486 1
1 261 . 3 0 1 A 28 28 THR H H 28 8.099 7.865 0.234 1
1 262 . 3 0 1 A 28 28 THR HA H 28 4.178 3.298 0.880 1
1 267 . 3 0 1 A 28 28 THR CA C 28 67.201 65.835 1.366 1
1 268 . 3 0 1 A 28 28 THR CB C 28 67.314 69.285 -1.971 1
1 270 . 3 0 1 A 28 28 THR N N 28 122.040 114.959 7.081 1
1 271 . 3 0 1 A 29 29 ASN H H 29 8.621 8.164 0.457 1
1 272 . 3 0 1 A 29 29 ASN HA H 29 4.522 4.500 0.022 1
1 276 . 3 0 1 A 29 29 ASN CA C 29 58.319 56.327 1.992 1
1 277 . 3 0 1 A 29 29 ASN CB C 29 39.553 38.393 1.160 1
1 278 . 3 0 1 A 29 29 ASN N N 29 122.850 118.440 4.410 1
1 280 . 3 0 1 A 30 30 ALA H H 30 8.185 8.064 0.121 1
1 281 . 3 0 1 A 30 30 ALA HA H 30 4.141 4.142 -0.001 1
1 285 . 3 0 1 A 30 30 ALA CA C 30 55.716 55.014 0.702 1
1 286 . 3 0 1 A 30 30 ALA CB C 30 17.815 18.628 -0.813 1
1 287 . 3 0 1 A 30 30 ALA N N 30 123.330 122.417 0.913 1
1 288 . 3 0 1 A 31 31 ALA H H 31 7.852 8.003 -0.151 1
1 289 . 3 0 1 A 31 31 ALA HA H 31 4.182 3.945 0.237 1
1 293 . 3 0 1 A 31 31 ALA CA C 31 55.395 54.633 0.762 1
1 294 . 3 0 1 A 31 31 ALA CB C 31 18.712 18.353 0.359 1
1 295 . 3 0 1 A 31 31 ALA N N 31 122.920 120.287 2.633 1
1 296 . 3 0 1 A 32 32 PHE H H 32 8.497 7.262 1.235 1
1 297 . 3 0 1 A 32 32 PHE HA H 32 4.300 4.236 0.064 1
1 303 . 3 0 1 A 32 32 PHE CA C 32 59.972 61.083 -1.111 1
1 304 . 3 0 1 A 32 32 PHE CB C 32 39.152 38.086 1.066 1
1 308 . 3 0 1 A 32 32 PHE N N 32 123.980 116.168 7.812 1
1 309 . 3 0 1 A 33 33 ASP H H 33 8.380 8.067 0.313 1
1 310 . 3 0 1 A 33 33 ASP HA H 33 4.298 4.313 -0.015 1
1 313 . 3 0 1 A 33 33 ASP CA C 33 57.394 57.325 0.069 1
1 314 . 3 0 1 A 33 33 ASP CB C 33 38.380 41.135 -2.755 1
1 315 . 3 0 1 A 33 33 ASP N N 33 119.640 120.656 -1.016 1
1 316 . 3 0 1 A 34 34 ASN H H 34 7.854 8.164 -0.310 1
1 317 . 3 0 1 A 34 34 ASN HA H 34 4.410 4.338 0.072 1
1 321 . 3 0 1 A 34 34 ASN CA C 34 56.974 55.407 1.567 1
1 322 . 3 0 1 A 34 34 ASN CB C 34 38.740 37.033 1.707 1
1 323 . 3 0 1 A 34 34 ASN N N 34 119.710 116.306 3.404 1
1 325 . 3 0 1 A 35 35 ALA H H 35 7.743 8.072 -0.329 1
1 326 . 3 0 1 A 35 35 ALA HA H 35 2.999 3.990 -0.991 1
1 330 . 3 0 1 A 35 35 ALA CA C 35 55.881 55.066 0.815 1
1 331 . 3 0 1 A 35 35 ALA CB C 35 17.360 18.898 -1.538 1
1 332 . 3 0 1 A 35 35 ALA N N 35 123.520 122.402 1.118 1
1 333 . 3 0 1 A 36 36 VAL H H 36 7.802 8.674 -0.872 1
1 334 . 3 0 1 A 36 36 VAL HA H 36 2.973 3.580 -0.607 1
1 342 . 3 0 1 A 36 36 VAL CA C 36 67.829 66.093 1.736 1
1 343 . 3 0 1 A 36 36 VAL CB C 36 32.410 31.355 1.055 1
1 346 . 3 0 1 A 36 36 VAL N N 36 115.430 117.795 -2.365 1
1 347 . 3 0 1 A 37 37 GLN H H 37 7.027 7.967 -0.940 1
1 348 . 3 0 1 A 37 37 GLN HA H 37 4.093 3.881 0.212 1
1 353 . 3 0 1 A 37 37 GLN CA C 37 59.039 59.014 0.025 1
1 354 . 3 0 1 A 37 37 GLN CB C 37 28.910 28.514 0.396 1
1 356 . 3 0 1 A 37 37 GLN N N 37 116.140 120.994 -4.854 1
1 358 . 3 0 1 A 38 38 GLN H H 38 8.443 7.794 0.649 1
1 359 . 3 0 1 A 38 38 GLN HA H 38 3.939 4.019 -0.080 1
1 365 . 3 0 1 A 38 38 GLN CA C 38 58.748 58.864 -0.116 1
1 366 . 3 0 1 A 38 38 GLN CB C 38 28.854 28.583 0.271 1
1 368 . 3 0 1 A 38 38 GLN N N 38 120.080 119.054 1.026 1
1 370 . 3 0 1 A 39 39 LEU H H 39 7.565 7.800 -0.235 1
1 371 . 3 0 1 A 39 39 LEU HA H 39 4.199 4.188 0.011 1
1 380 . 3 0 1 A 39 39 LEU CA C 39 54.901 56.561 -1.660 1
1 381 . 3 0 1 A 39 39 LEU CB C 39 42.208 42.446 -0.238 1
1 383 . 3 0 1 A 39 39 LEU N N 39 117.930 116.847 1.083 1
1 384 . 3 0 1 A 40 40 ASN H H 40 7.976 8.019 -0.043 1
1 385 . 3 0 1 A 40 40 ASN HA H 40 4.313 4.574 -0.261 1
1 389 . 3 0 1 A 40 40 ASN CA C 40 54.625 54.156 0.469 1
1 390 . 3 0 1 A 40 40 ASN CB C 40 36.903 36.908 -0.005 1
1 391 . 3 0 1 A 40 40 ASN N N 40 118.780 116.806 1.974 1
1 393 . 3 0 1 A 41 41 CYS H H 41 7.833 8.171 -0.338 1
1 394 . 3 0 1 A 41 41 CYS HA H 41 4.888 4.549 0.339 1
1 397 . 3 0 1 A 41 41 CYS CA C 41 55.148 56.825 -1.677 1
1 398 . 3 0 1 A 41 41 CYS CB C 41 42.078 42.355 -0.277 1
1 399 . 3 0 1 A 41 41 CYS N N 41 115.600 116.061 -0.461 1
1 400 . 3 0 1 A 42 42 LEU H H 42 8.371 7.884 0.487 1
1 401 . 3 0 1 A 42 42 LEU HA H 42 4.340 3.962 0.378 1
1 410 . 3 0 1 A 42 42 LEU CA C 42 55.342 57.564 -2.222 1
1 411 . 3 0 1 A 42 42 LEU CB C 42 43.358 40.124 3.234 1
1 415 . 3 0 1 A 42 42 LEU N N 42 116.770 119.064 -2.294 1
1 416 . 3 0 1 A 43 43 ASN H H 43 7.025 8.549 -1.524 1
1 417 . 3 0 1 A 43 43 ASN HA H 43 4.767 4.848 -0.081 1
1 422 . 3 0 1 A 43 43 ASN CA C 43 51.715 53.333 -1.618 1
1 423 . 3 0 1 A 43 43 ASN CB C 43 41.011 40.163 0.848 1
1 424 . 3 0 1 A 43 43 ASN N N 43 111.360 116.861 -5.501 1
1 426 . 3 0 1 A 44 44 ARG H H 44 8.735 9.257 -0.522 1
1 427 . 3 0 1 A 44 44 ARG HA H 44 3.868 4.165 -0.297 1
1 431 . 3 0 1 A 44 44 ARG CA C 44 60.307 58.649 1.658 1
1 432 . 3 0 1 A 44 44 ARG CB C 44 30.895 30.048 0.847 1
1 433 . 3 0 1 A 44 44 ARG N N 44 118.870 126.981 -8.111 1
1 434 . 3 0 1 A 45 45 ALA H H 45 8.381 8.181 0.200 1
1 435 . 3 0 1 A 45 45 ALA HA H 45 3.814 4.088 -0.274 1
1 439 . 3 0 1 A 45 45 ALA CA C 45 56.384 55.132 1.252 1
1 440 . 3 0 1 A 45 45 ALA CB C 45 17.800 17.796 0.004 1
1 441 . 3 0 1 A 45 45 ALA N N 45 125.360 121.355 4.005 1
1 442 . 3 0 1 A 46 46 CYS H H 46 8.027 8.045 -0.018 1
1 443 . 3 0 1 A 46 46 CYS HA H 46 4.168 4.175 -0.007 1
1 446 . 3 0 1 A 46 46 CYS CA C 46 59.006 59.361 -0.355 1
1 447 . 3 0 1 A 46 46 CYS CB C 46 33.410 41.283 -7.873 1
1 448 . 3 0 1 A 46 46 CYS N N 46 117.400 117.451 -0.051 1
1 449 . 3 0 1 A 47 47 ALA H H 47 7.144 7.620 -0.476 1
1 450 . 3 0 1 A 47 47 ALA HA H 47 3.837 3.982 -0.145 1
1 454 . 3 0 1 A 47 47 ALA CA C 47 55.130 54.986 0.144 1
1 455 . 3 0 1 A 47 47 ALA CB C 47 19.618 18.546 1.072 1
1 456 . 3 0 1 A 47 47 ALA N N 47 123.130 122.323 0.807 1
1 457 . 3 0 1 A 48 48 TYR H H 48 8.841 8.379 0.462 1
1 458 . 3 0 1 A 48 48 TYR HA H 48 3.896 4.308 -0.412 1
1 462 . 3 0 1 A 48 48 TYR CA C 48 63.769 61.723 2.046 1
1 463 . 3 0 1 A 48 48 TYR CB C 48 40.446 37.865 2.581 1
1 466 . 3 0 1 A 48 48 TYR N N 48 120.860 116.728 4.132 1
1 467 . 3 0 1 A 49 49 ARG H H 49 8.501 8.698 -0.197 1
1 468 . 3 0 1 A 49 49 ARG HA H 49 3.840 3.962 -0.122 1
1 470 . 3 0 1 A 49 49 ARG CA C 49 60.324 59.284 1.040 1
1 471 . 3 0 1 A 49 49 ARG CB C 49 29.890 29.705 0.185 1
1 472 . 3 0 1 A 49 49 ARG N N 49 117.110 121.555 -4.445 1
1 473 . 3 0 1 A 50 50 LYS H H 50 7.817 7.661 0.156 1
1 474 . 3 0 1 A 50 50 LYS HA H 50 3.965 4.157 -0.192 1
1 477 . 3 0 1 A 50 50 LYS CA C 50 61.111 58.944 2.167 1
1 478 . 3 0 1 A 50 50 LYS CB C 50 33.272 31.687 1.585 1
1 479 . 3 0 1 A 50 50 LYS N N 50 119.510 119.269 0.241 1
1 480 . 3 0 1 A 51 51 MET H H 51 7.934 7.878 0.056 1
1 481 . 3 0 1 A 51 51 MET HA H 51 4.199 4.129 0.070 1
1 484 . 3 0 1 A 51 51 MET CA C 51 60.407 58.351 2.056 1
1 485 . 3 0 1 A 51 51 MET CB C 51 33.492 31.993 1.499 1
1 487 . 3 0 1 A 51 51 MET N N 51 119.740 118.709 1.031 1
1 488 . 3 0 1 A 52 52 CYS H H 52 8.545 8.773 -0.228 1
1 489 . 3 0 1 A 52 52 CYS HA H 52 4.018 4.351 -0.333 1
1 492 . 3 0 1 A 52 52 CYS CA C 52 60.109 59.116 0.993 1
1 493 . 3 0 1 A 52 52 CYS CB C 52 40.790 42.081 -1.291 1
1 494 . 3 0 1 A 52 52 CYS N N 52 119.160 117.444 1.716 1
1 495 . 3 0 1 A 53 53 ALA H H 53 7.626 7.877 -0.251 1
1 496 . 3 0 1 A 53 53 ALA HA H 53 4.182 4.164 0.018 1
1 500 . 3 0 1 A 53 53 ALA CA C 53 54.149 54.826 -0.677 1
1 501 . 3 0 1 A 53 53 ALA CB C 53 18.492 19.204 -0.712 1
1 502 . 3 0 1 A 53 53 ALA N N 53 122.360 122.304 0.056 1
1 503 . 3 0 1 A 54 54 THR H H 54 7.041 8.121 -1.080 1
1 504 . 3 0 1 A 54 54 THR HA H 54 4.180 4.579 -0.399 1
1 509 . 3 0 1 A 54 54 THR CA C 54 63.143 62.180 0.963 1
1 510 . 3 0 1 A 54 54 THR CB C 54 71.301 70.128 1.173 1
1 512 . 3 0 1 A 54 54 THR N N 54 107.780 105.816 1.964 1
1 513 . 3 0 1 A 55 55 ASN H H 55 8.071 7.635 0.436 1
1 514 . 3 0 1 A 55 55 ASN HA H 55 4.409 5.031 -0.622 1
1 518 . 3 0 1 A 55 55 ASN CA C 55 55.475 52.463 3.012 1
1 519 . 3 0 1 A 55 55 ASN CB C 55 38.226 40.802 -2.576 1
1 520 . 3 0 1 A 55 55 ASN N N 55 114.220 116.032 -1.812 1
1 522 . 3 0 1 A 56 56 ASN H H 56 7.751 8.623 -0.872 1
1 523 . 3 0 1 A 56 56 ASN HA H 56 4.598 4.729 -0.131 1
1 528 . 3 0 1 A 56 56 ASN CA C 56 53.301 54.667 -1.366 1
1 529 . 3 0 1 A 56 56 ASN CB C 56 38.408 39.913 -1.505 1
1 530 . 3 0 1 A 56 56 ASN N N 56 117.400 116.649 0.751 1
1 532 . 3 0 1 A 57 57 LEU H H 57 8.623 8.149 0.474 1
1 533 . 3 0 1 A 57 57 LEU HA H 57 3.783 4.023 -0.240 1
1 536 . 3 0 1 A 57 57 LEU CA C 57 58.796 57.510 1.286 1
1 537 . 3 0 1 A 57 57 LEU CB C 57 42.709 41.676 1.033 1
1 538 . 3 0 1 A 57 57 LEU N N 57 127.190 120.724 6.466 1
1 539 . 3 0 1 A 58 58 GLU H H 58 8.353 8.677 -0.324 1
1 540 . 3 0 1 A 58 58 GLU HA H 58 3.792 4.152 -0.360 1
1 543 . 3 0 1 A 58 58 GLU CA C 58 60.263 58.204 2.059 1
1 544 . 3 0 1 A 58 58 GLU CB C 58 27.565 28.302 -0.737 1
1 546 . 3 0 1 A 58 58 GLU N N 58 117.370 117.239 0.131 1
1 547 . 3 0 1 A 59 59 GLN H H 59 7.434 8.015 -0.581 1
1 548 . 3 0 1 A 59 59 GLN HA H 59 3.850 4.051 -0.201 1
1 553 . 3 0 1 A 59 59 GLN CA C 59 58.858 58.519 0.339 1
1 554 . 3 0 1 A 59 59 GLN CB C 59 28.858 28.546 0.312 1
1 556 . 3 0 1 A 59 59 GLN N N 59 119.730 118.641 1.089 1
1 558 . 3 0 1 A 60 60 ALA H H 60 8.043 7.784 0.259 1
1 559 . 3 0 1 A 60 60 ALA HA H 60 4.090 4.145 -0.055 1
1 563 . 3 0 1 A 60 60 ALA CA C 60 55.496 54.700 0.796 1
1 564 . 3 0 1 A 60 60 ALA CB C 60 19.168 18.792 0.376 1
1 565 . 3 0 1 A 60 60 ALA N N 60 124.010 121.283 2.727 1
1 566 . 3 0 1 A 61 61 MET H H 61 8.690 8.218 0.472 1
1 567 . 3 0 1 A 61 61 MET HA H 61 4.240 3.744 0.496 1
1 571 . 3 0 1 A 61 61 MET CA C 61 59.964 57.944 2.020 1
1 572 . 3 0 1 A 61 61 MET CB C 61 34.709 32.198 2.511 1
1 574 . 3 0 1 A 61 61 MET N N 61 114.840 116.768 -1.928 1
1 575 . 3 0 1 A 62 62 SER H H 62 7.697 7.715 -0.018 1
1 576 . 3 0 1 A 62 62 SER HA H 62 4.527 3.897 0.630 1
1 579 . 3 0 1 A 62 62 SER CA C 62 61.590 61.065 0.525 1
1 580 . 3 0 1 A 62 62 SER CB C 62 63.726 62.922 0.804 1
1 581 . 3 0 1 A 62 62 SER N N 62 115.290 115.200 0.090 1
1 582 . 3 0 1 A 63 63 VAL H H 63 6.876 7.742 -0.866 1
1 583 . 3 0 1 A 63 63 VAL HA H 63 3.366 3.603 -0.237 1
1 591 . 3 0 1 A 63 63 VAL CA C 63 65.247 66.443 -1.196 1
1 592 . 3 0 1 A 63 63 VAL CB C 63 32.621 31.353 1.268 1
1 595 . 3 0 1 A 63 63 VAL N N 63 120.720 122.109 -1.389 1
1 596 . 3 0 1 A 64 64 TYR H H 64 6.677 7.857 -1.180 1
1 597 . 3 0 1 A 64 64 TYR HA H 64 4.274 4.353 -0.079 1
1 602 . 3 0 1 A 64 64 TYR CA C 64 57.735 60.215 -2.480 1
1 603 . 3 0 1 A 64 64 TYR CB C 64 42.007 39.104 2.903 1
1 606 . 3 0 1 A 64 64 TYR N N 64 115.320 118.715 -3.395 1
1 607 . 3 0 1 A 65 65 PHE H H 65 8.052 7.469 0.583 1
1 608 . 3 0 1 A 65 65 PHE HA H 65 5.160 4.585 0.575 1
1 614 . 3 0 1 A 65 65 PHE CA C 65 56.486 56.283 0.203 1
1 615 . 3 0 1 A 65 65 PHE CB C 65 43.296 40.022 3.274 1
1 619 . 3 0 1 A 65 65 PHE N N 65 117.410 117.359 0.051 1
1 620 . 3 0 1 A 66 66 THR H H 66 8.302 8.992 -0.690 1
1 621 . 3 0 1 A 66 66 THR HA H 66 4.657 4.757 -0.100 1
1 626 . 3 0 1 A 66 66 THR CA C 66 60.932 60.554 0.378 1
1 627 . 3 0 1 A 66 66 THR CB C 66 71.138 71.692 -0.554 1
1 629 . 3 0 1 A 66 66 THR N N 66 111.430 113.404 -1.974 1
1 630 . 3 0 1 A 67 67 ASN H H 67 9.025 9.081 -0.056 1
1 631 . 3 0 1 A 67 67 ASN HA H 67 4.223 4.470 -0.247 1
1 636 . 3 0 1 A 67 67 ASN CA C 67 57.459 57.109 0.350 1
1 637 . 3 0 1 A 67 67 ASN CB C 67 38.180 38.360 -0.180 1
1 638 . 3 0 1 A 67 67 ASN N N 67 120.120 120.446 -0.326 1
1 640 . 3 0 1 A 68 68 GLU H H 68 8.403 8.327 0.076 1
1 641 . 3 0 1 A 68 68 GLU HA H 68 3.956 4.054 -0.098 1
1 645 . 3 0 1 A 68 68 GLU CA C 68 59.700 59.137 0.563 1
1 646 . 3 0 1 A 68 68 GLU CB C 68 28.105 29.013 -0.908 1
1 648 . 3 0 1 A 68 68 GLU N N 68 120.220 117.680 2.540 1
1 649 . 3 0 1 A 69 69 GLN H H 69 7.411 8.089 -0.678 1
1 650 . 3 0 1 A 69 69 GLN HA H 69 3.822 3.997 -0.175 1
1 657 . 3 0 1 A 69 69 GLN CA C 69 58.952 58.674 0.278 1
1 658 . 3 0 1 A 69 69 GLN CB C 69 28.418 28.021 0.397 1
1 659 . 3 0 1 A 69 69 GLN N N 69 120.940 119.623 1.317 1
1 661 . 3 0 1 A 70 70 ILE H H 70 8.327 7.450 0.877 1
1 662 . 3 0 1 A 70 70 ILE HA H 70 3.036 3.670 -0.634 1
1 671 . 3 0 1 A 70 70 ILE CA C 70 66.926 62.177 4.749 1
1 672 . 3 0 1 A 70 70 ILE CB C 70 38.603 37.824 0.779 1
1 676 . 3 0 1 A 70 70 ILE N N 70 120.560 119.462 1.098 1
1 677 . 3 0 1 A 71 71 LYS H H 71 7.554 8.104 -0.550 1
1 678 . 3 0 1 A 71 71 LYS HA H 71 3.909 3.960 -0.051 1
1 681 . 3 0 1 A 71 71 LYS CA C 71 60.156 59.446 0.710 1
1 682 . 3 0 1 A 71 71 LYS CB C 71 32.294 32.264 0.030 1
1 683 . 3 0 1 A 71 71 LYS N N 71 121.040 121.936 -0.896 1
1 684 . 3 0 1 A 72 72 GLU H H 72 7.885 8.004 -0.119 1
1 685 . 3 0 1 A 72 72 GLU HA H 72 3.989 4.102 -0.113 1
1 688 . 3 0 1 A 72 72 GLU CA C 72 60.266 59.102 1.164 1
1 689 . 3 0 1 A 72 72 GLU CB C 72 30.213 29.290 0.923 1
1 691 . 3 0 1 A 72 72 GLU N N 72 119.670 118.806 0.864 1
1 692 . 3 0 1 A 73 73 ILE H H 73 8.193 7.702 0.491 1
1 693 . 3 0 1 A 73 73 ILE HA H 73 3.312 3.981 -0.669 1
1 703 . 3 0 1 A 73 73 ILE CA C 73 66.520 63.158 3.362 1
1 704 . 3 0 1 A 73 73 ILE CB C 73 38.344 37.471 0.873 1
1 708 . 3 0 1 A 73 73 ILE N N 73 121.390 119.940 1.450 1
1 709 . 3 0 1 A 74 74 HIS H H 74 8.624 8.114 0.510 1
1 710 . 3 0 1 A 74 74 HIS HA H 74 4.174 4.260 -0.086 1
1 714 . 3 0 1 A 74 74 HIS CA C 74 59.179 59.991 -0.812 1
1 715 . 3 0 1 A 74 74 HIS CB C 74 28.498 29.868 -1.370 1
1 718 . 3 0 1 A 74 74 HIS N N 74 119.430 121.908 -2.478 1
1 719 . 3 0 1 A 75 75 ASP H H 75 8.824 8.239 0.585 1
1 720 . 3 0 1 A 75 75 ASP HA H 75 4.276 4.039 0.237 1
1 722 . 3 0 1 A 75 75 ASP CA C 75 56.474 57.657 -1.183 1
1 723 . 3 0 1 A 75 75 ASP CB C 75 38.100 41.579 -3.479 1
1 724 . 3 0 1 A 75 75 ASP N N 75 119.980 119.088 0.892 1
1 725 . 3 0 1 A 76 76 ALA H H 76 8.064 8.392 -0.328 1
1 726 . 3 0 1 A 76 76 ALA HA H 76 4.012 4.097 -0.085 1
1 730 . 3 0 1 A 76 76 ALA CA C 76 54.988 54.925 0.063 1
1 731 . 3 0 1 A 76 76 ALA CB C 76 20.747 18.344 2.403 1
1 732 . 3 0 1 A 76 76 ALA N N 76 125.030 121.167 3.863 1
1 733 . 3 0 1 A 77 77 ALA H H 77 8.659 8.440 0.219 1
1 734 . 3 0 1 A 77 77 ALA HA H 77 3.613 4.133 -0.520 1
1 738 . 3 0 1 A 77 77 ALA CA C 77 55.772 53.654 2.118 1
1 739 . 3 0 1 A 77 77 ALA CB C 77 18.217 18.125 0.092 1
1 740 . 3 0 1 A 77 77 ALA N N 77 122.060 120.458 1.602 1
1 741 . 3 0 1 A 78 78 THR H H 78 7.651 7.211 0.440 1
1 742 . 3 0 1 A 78 78 THR HA H 78 3.762 3.906 -0.144 1
1 747 . 3 0 1 A 78 78 THR CA C 78 66.360 65.046 1.314 1
1 748 . 3 0 1 A 78 78 THR CB C 78 68.873 69.194 -0.321 1
1 750 . 3 0 1 A 78 78 THR N N 78 113.580 112.037 1.543 1
1 751 . 3 0 1 A 79 79 ALA H H 79 7.291 7.717 -0.426 1
1 752 . 3 0 1 A 79 79 ALA HA H 79 4.022 4.194 -0.172 1
1 756 . 3 0 1 A 79 79 ALA CA C 79 54.713 51.567 3.146 1
1 757 . 3 0 1 A 79 79 ALA CB C 79 18.695 18.542 0.153 1
1 758 . 3 0 1 A 79 79 ALA N N 79 123.330 118.545 4.785 1
1 759 . 3 0 1 A 80 80 CYS H H 80 7.781 7.721 0.060 1
1 760 . 3 0 1 A 80 80 CYS HA H 80 4.295 5.347 -1.052 1
1 762 . 3 0 1 A 80 80 CYS CA C 80 57.577 57.114 0.463 1
1 763 . 3 0 1 A 80 80 CYS CB C 80 43.192 39.893 3.299 1
1 764 . 3 0 1 A 80 80 CYS N N 80 115.190 114.935 0.255 1
1 765 . 3 0 1 A 81 81 ASP H H 81 7.323 7.534 -0.211 1
1 766 . 3 0 1 A 81 81 ASP HA H 81 4.743 5.147 -0.404 1
1 769 . 3 0 1 A 81 81 ASP CA C 81 52.419 51.321 1.098 1
1 770 . 3 0 1 A 81 81 ASP CB C 81 40.376 41.493 -1.117 1
1 771 . 3 0 1 A 81 81 ASP N N 81 121.570 121.194 0.376 1
1 772 . 3 0 1 A 82 82 PRO HA H 82 4.312 4.625 -0.313 1
1 777 . 3 0 1 A 82 82 PRO CA C 82 64.427 62.470 1.957 1
1 778 . 3 0 1 A 82 82 PRO CB C 82 32.685 29.555 3.130 1
1 780 . 3 0 1 A 83 83 GLU H H 83 8.036 8.384 -0.348 1
1 781 . 3 0 1 A 83 83 GLU HA H 83 4.126 4.414 -0.288 1
1 785 . 3 0 1 A 83 83 GLU CA C 83 56.523 57.307 -0.784 1
1 786 . 3 0 1 A 83 83 GLU CB C 83 28.819 28.197 0.622 1
1 788 . 3 0 1 A 83 83 GLU N N 83 118.550 120.263 -1.713 1
1 789 . 3 0 1 A 84 84 ALA H H 84 7.695 8.435 -0.740 1
1 790 . 3 0 1 A 84 84 ALA HA H 84 4.083 4.108 -0.025 1
1 794 . 3 0 1 A 84 84 ALA CA C 84 52.963 54.277 -1.314 1
1 795 . 3 0 1 A 84 84 ALA CB C 84 19.516 19.488 0.028 1
1 796 . 3 0 1 A 84 84 ALA N N 84 123.730 121.054 2.676 1
1 797 . 3 0 1 A 85 85 HIS H H 85 8.078 7.561 0.517 1
1 798 . 3 0 1 A 85 85 HIS HA H 85 4.529 4.644 -0.115 1
1 803 . 3 0 1 A 85 85 HIS CA C 85 55.480 55.165 0.315 1
1 804 . 3 0 1 A 85 85 HIS CB C 85 29.115 30.011 -0.896 1
1 807 . 3 0 1 A 85 85 HIS N N 85 117.030 113.198 3.832 1
1 808 . 3 0 1 A 86 86 HIS H H 86 8.352 7.762 0.590 1
1 809 . 3 0 1 A 86 86 HIS HA H 86 4.596 5.203 -0.607 1
1 814 . 3 0 1 A 86 86 HIS CA C 86 55.496 54.448 1.048 1
1 815 . 3 0 1 A 86 86 HIS CB C 86 29.414 34.657 -5.243 1
1 818 . 3 0 1 A 86 86 HIS N N 86 120.170 117.053 3.117 1
1 819 . 3 0 1 A 87 87 GLU H H 87 8.300 8.474 -0.174 1
1 820 . 3 0 1 A 87 87 GLU HA H 87 4.194 4.706 -0.512 1
1 823 . 3 0 1 A 87 87 GLU CA C 87 56.264 55.969 0.295 1
1 824 . 3 0 1 A 87 87 GLU CB C 87 29.329 30.313 -0.984 1
1 826 . 3 0 1 A 87 87 GLU N N 87 121.850 120.427 1.423 1
1 827 . 3 0 1 A 88 88 HIS H H 88 8.524 8.367 0.157 1
1 828 . 3 0 1 A 88 88 HIS HA H 88 4.597 4.940 -0.343 1
1 832 . 3 0 1 A 88 88 HIS CA C 88 55.621 56.467 -0.846 1
1 833 . 3 0 1 A 88 88 HIS CB C 88 29.150 33.019 -3.869 1
1 836 . 3 0 1 A 88 88 HIS N N 88 119.750 119.257 0.493 1
1 837 . 3 0 1 A 89 89 ASP H H 89 8.343 8.875 -0.532 1
1 838 . 3 0 1 A 89 89 ASP HA H 89 4.579 4.251 0.328 1
1 840 . 3 0 1 A 89 89 ASP CA C 89 53.805 56.995 -3.190 1
1 841 . 3 0 1 A 89 89 ASP CB C 89 38.560 41.040 -2.480 1
1 842 . 3 0 1 A 89 89 ASP N N 89 120.950 125.101 -4.151 1
1 9 . 4 0 1 A 2 2 HIS H H 2 8.902 8.196 0.706 1
1 10 . 4 0 1 A 2 2 HIS HA H 2 4.665 4.297 0.368 1
1 14 . 4 0 1 A 2 2 HIS CA C 2 55.744 58.381 -2.637 1
1 15 . 4 0 1 A 2 2 HIS CB C 2 29.481 29.462 0.019 1
1 18 . 4 0 1 A 2 2 HIS N N 2 122.160 117.800 4.360 1
1 19 . 4 0 1 A 3 3 GLN H H 3 8.624 8.611 0.013 1
1 20 . 4 0 1 A 3 3 GLN HA H 3 4.265 3.841 0.424 1
1 24 . 4 0 1 A 3 3 GLN CA C 3 55.961 59.068 -3.107 1
1 25 . 4 0 1 A 3 3 GLN CB C 3 29.727 28.887 0.840 1
1 27 . 4 0 1 A 3 3 GLN N N 3 123.710 117.342 6.368 1
1 29 . 4 0 1 A 4 4 GLU H H 4 8.499 7.544 0.955 1
1 30 . 4 0 1 A 4 4 GLU HA H 4 4.250 4.773 -0.523 1
1 33 . 4 0 1 A 4 4 GLU CA C 4 56.888 55.191 1.697 1
1 34 . 4 0 1 A 4 4 GLU CB C 4 29.316 33.307 -3.991 1
1 36 . 4 0 1 A 4 4 GLU N N 4 123.160 118.143 5.017 1
1 37 . 4 0 1 A 5 5 LEU H H 5 8.464 8.752 -0.288 1
1 38 . 4 0 1 A 5 5 LEU HA H 5 4.004 4.570 -0.566 1
1 50 . 4 0 1 A 5 5 LEU N N 5 123.070 125.078 -2.008 1
1 51 . 4 0 1 A 6 6 CYS H H 6 7.980 8.155 -0.175 1
1 52 . 4 0 1 A 6 6 CYS HA H 6 4.565 4.315 0.250 1
1 55 . 4 0 1 A 6 6 CYS N N 6 113.540 115.506 -1.966 1
1 56 . 4 0 1 A 7 7 THR H H 7 7.639 8.535 -0.896 1
1 57 . 4 0 1 A 7 7 THR HA H 7 4.344 4.369 -0.025 1
1 62 . 4 0 1 A 7 7 THR CA C 7 61.772 62.222 -0.450 1
1 63 . 4 0 1 A 7 7 THR CB C 7 69.825 69.496 0.329 1
1 65 . 4 0 1 A 7 7 THR N N 7 108.740 111.023 -2.283 1
1 66 . 4 0 1 A 8 8 LYS H H 8 7.380 7.333 0.047 1
1 67 . 4 0 1 A 8 8 LYS HA H 8 4.174 4.334 -0.160 1
1 72 . 4 0 1 A 8 8 LYS CA C 8 56.632 55.828 0.804 1
1 73 . 4 0 1 A 8 8 LYS CB C 8 34.166 32.084 2.082 1
1 75 . 4 0 1 A 8 8 LYS N N 8 122.500 120.156 2.344 1
1 76 . 4 0 1 A 9 9 GLY H H 9 8.554 8.163 0.391 1
1 77 . 4 0 1 A 9 9 GLY HA2 H 9 4.027 3.971 0.056 1
1 78 . 4 0 1 A 9 9 GLY HA3 H 9 3.868 3.974 -0.106 1
1 79 . 4 0 1 A 9 9 GLY CA C 9 45.101 44.884 0.217 1
1 80 . 4 0 1 A 9 9 GLY N N 9 108.960 107.371 1.589 1
1 81 . 4 0 1 A 10 10 ASP H H 10 8.455 8.994 -0.539 1
1 82 . 4 0 1 A 10 10 ASP HA H 10 4.146 4.459 -0.313 1
1 84 . 4 0 1 A 10 10 ASP CA C 10 57.568 56.178 1.390 1
1 85 . 4 0 1 A 10 10 ASP CB C 10 38.723 40.219 -1.496 1
1 86 . 4 0 1 A 10 10 ASP N N 10 118.550 122.502 -3.952 1
1 87 . 4 0 1 A 11 11 ASP H H 11 8.538 8.322 0.216 1
1 88 . 4 0 1 A 11 11 ASP HA H 11 4.262 4.288 -0.026 1
1 90 . 4 0 1 A 11 11 ASP CA C 11 56.696 57.696 -1.000 1
1 91 . 4 0 1 A 11 11 ASP CB C 11 37.812 41.438 -3.626 1
1 92 . 4 0 1 A 11 11 ASP N N 11 118.150 121.338 -3.188 1
1 93 . 4 0 1 A 12 12 ALA H H 12 7.935 7.552 0.383 1
1 94 . 4 0 1 A 12 12 ALA HA H 12 4.052 4.123 -0.071 1
1 98 . 4 0 1 A 12 12 ALA CA C 12 55.104 54.848 0.256 1
1 99 . 4 0 1 A 12 12 ALA CB C 12 19.122 18.288 0.834 1
1 100 . 4 0 1 A 12 12 ALA N N 12 123.880 121.006 2.874 1
1 101 . 4 0 1 A 13 13 LEU H H 13 8.367 8.043 0.324 1
1 102 . 4 0 1 A 13 13 LEU HA H 13 4.524 4.051 0.473 1
1 104 . 4 0 1 A 13 13 LEU CA C 13 54.138 57.746 -3.608 1
1 105 . 4 0 1 A 13 13 LEU CB C 13 39.063 41.415 -2.352 1
1 106 . 4 0 1 A 13 13 LEU N N 13 120.800 119.729 1.071 1
1 107 . 4 0 1 A 14 14 VAL H H 14 8.127 8.662 -0.535 1
1 108 . 4 0 1 A 14 14 VAL HA H 14 3.354 3.580 -0.226 1
1 116 . 4 0 1 A 14 14 VAL CA C 14 67.895 66.214 1.681 1
1 117 . 4 0 1 A 14 14 VAL CB C 14 32.471 31.664 0.807 1
1 120 . 4 0 1 A 14 14 VAL N N 14 121.290 118.668 2.622 1
1 121 . 4 0 1 A 15 15 THR H H 15 7.813 8.064 -0.251 1
1 122 . 4 0 1 A 15 15 THR HA H 15 3.824 3.779 0.045 1
1 127 . 4 0 1 A 15 15 THR CA C 15 66.838 67.018 -0.180 1
1 128 . 4 0 1 A 15 15 THR CB C 15 69.152 68.598 0.554 1
1 130 . 4 0 1 A 15 15 THR N N 15 115.770 116.784 -1.014 1
1 131 . 4 0 1 A 16 16 GLU H H 16 8.201 8.720 -0.519 1
1 132 . 4 0 1 A 16 16 GLU HA H 16 4.134 3.920 0.214 1
1 136 . 4 0 1 A 16 16 GLU CA C 16 60.219 59.334 0.885 1
1 137 . 4 0 1 A 16 16 GLU CB C 16 27.443 29.170 -1.727 1
1 139 . 4 0 1 A 16 16 GLU N N 16 123.330 119.689 3.641 1
1 140 . 4 0 1 A 17 17 LEU H H 17 8.637 7.986 0.651 1
1 141 . 4 0 1 A 17 17 LEU HA H 17 3.779 4.028 -0.249 1
1 145 . 4 0 1 A 17 17 LEU CA C 17 58.646 57.724 0.922 1
1 146 . 4 0 1 A 17 17 LEU CB C 17 41.289 41.865 -0.576 1
1 147 . 4 0 1 A 17 17 LEU N N 17 119.350 122.026 -2.676 1
1 148 . 4 0 1 A 18 18 GLU H H 18 7.903 8.661 -0.758 1
1 149 . 4 0 1 A 18 18 GLU HA H 18 4.048 3.955 0.093 1
1 153 . 4 0 1 A 18 18 GLU CA C 18 59.140 59.312 -0.172 1
1 154 . 4 0 1 A 18 18 GLU CB C 18 27.587 29.126 -1.539 1
1 156 . 4 0 1 A 18 18 GLU N N 18 122.730 117.701 5.029 1
1 157 . 4 0 1 A 19 19 CYS H H 19 7.231 7.457 -0.226 1
1 158 . 4 0 1 A 19 19 CYS HA H 19 4.135 4.624 -0.489 1
1 161 . 4 0 1 A 19 19 CYS CA C 19 60.041 60.117 -0.076 1
1 162 . 4 0 1 A 19 19 CYS CB C 19 39.419 42.568 -3.149 1
1 163 . 4 0 1 A 19 19 CYS N N 19 120.230 117.235 2.995 1
1 164 . 4 0 1 A 20 20 ILE H H 20 8.433 8.392 0.041 1
1 165 . 4 0 1 A 20 20 ILE HA H 20 3.288 3.991 -0.703 1
1 174 . 4 0 1 A 20 20 ILE CA C 20 66.135 61.712 4.423 1
1 175 . 4 0 1 A 20 20 ILE CB C 20 39.423 37.293 2.130 1
1 179 . 4 0 1 A 20 20 ILE N N 20 122.030 121.356 0.674 1
1 180 . 4 0 1 A 21 21 ARG H H 21 7.644 7.554 0.090 1
1 181 . 4 0 1 A 21 21 ARG HA H 21 3.823 4.172 -0.349 1
1 183 . 4 0 1 A 21 21 ARG CA C 21 59.557 57.885 1.672 1
1 184 . 4 0 1 A 21 21 ARG CB C 21 30.680 29.557 1.123 1
1 187 . 4 0 1 A 21 21 ARG N N 21 119.330 120.776 -1.446 1
1 188 . 4 0 1 A 22 22 LEU H H 22 6.877 7.912 -1.035 1
1 189 . 4 0 1 A 22 22 LEU HA H 22 4.111 4.207 -0.096 1
1 199 . 4 0 1 A 22 22 LEU CA C 22 56.458 56.358 0.100 1
1 200 . 4 0 1 A 22 22 LEU CB C 22 42.824 39.983 2.841 1
1 204 . 4 0 1 A 22 22 LEU N N 22 114.780 116.014 -1.234 1
1 205 . 4 0 1 A 23 23 ARG H H 23 7.570 7.888 -0.318 1
1 206 . 4 0 1 A 23 23 ARG HA H 23 4.384 4.465 -0.081 1
1 212 . 4 0 1 A 23 23 ARG CA C 23 56.733 55.858 0.875 1
1 213 . 4 0 1 A 23 23 ARG CB C 23 33.160 30.257 2.903 1
1 216 . 4 0 1 A 23 23 ARG N N 23 117.100 118.903 -1.803 1
1 218 . 4 0 1 A 24 24 ILE H H 24 7.041 7.833 -0.792 1
1 219 . 4 0 1 A 24 24 ILE HA H 24 4.653 3.733 0.920 1
1 229 . 4 0 1 A 24 24 ILE CA C 24 60.889 64.618 -3.729 1
1 230 . 4 0 1 A 24 24 ILE CB C 24 40.480 37.909 2.571 1
1 234 . 4 0 1 A 24 24 ILE N N 24 112.510 121.238 -8.728 1
1 235 . 4 0 1 A 25 25 SER H H 25 8.441 7.610 0.831 1
1 236 . 4 0 1 A 25 25 SER HA H 25 4.572 4.632 -0.060 1
1 239 . 4 0 1 A 25 25 SER CA C 25 58.047 59.385 -1.338 1
1 240 . 4 0 1 A 25 25 SER CB C 25 63.703 65.037 -1.334 1
1 241 . 4 0 1 A 25 25 SER N N 25 116.820 112.086 4.734 1
1 242 . 4 0 1 A 26 26 PRO HA H 26 4.457 4.507 -0.050 1
1 248 . 4 0 1 A 26 26 PRO CA C 26 66.703 62.447 4.256 1
1 249 . 4 0 1 A 26 26 PRO CB C 26 32.374 33.395 -1.021 1
1 252 . 4 0 1 A 27 27 GLU H H 27 8.543 8.802 -0.259 1
1 253 . 4 0 1 A 27 27 GLU HA H 27 4.170 4.111 0.059 1
1 257 . 4 0 1 A 27 27 GLU CA C 27 60.003 58.887 1.116 1
1 258 . 4 0 1 A 27 27 GLU CB C 27 27.944 29.055 -1.111 1
1 260 . 4 0 1 A 27 27 GLU N N 27 117.750 121.009 -3.259 1
1 261 . 4 0 1 A 28 28 THR H H 28 8.099 7.762 0.337 1
1 262 . 4 0 1 A 28 28 THR HA H 28 4.178 2.762 1.416 1
1 267 . 4 0 1 A 28 28 THR CA C 28 67.201 65.422 1.779 1
1 268 . 4 0 1 A 28 28 THR CB C 28 67.314 69.044 -1.730 1
1 270 . 4 0 1 A 28 28 THR N N 28 122.040 115.395 6.645 1
1 271 . 4 0 1 A 29 29 ASN H H 29 8.621 7.907 0.714 1
1 272 . 4 0 1 A 29 29 ASN HA H 29 4.522 4.422 0.100 1
1 276 . 4 0 1 A 29 29 ASN CA C 29 58.319 56.095 2.224 1
1 277 . 4 0 1 A 29 29 ASN CB C 29 39.553 38.287 1.266 1
1 278 . 4 0 1 A 29 29 ASN N N 29 122.850 119.290 3.560 1
1 280 . 4 0 1 A 30 30 ALA H H 30 8.185 8.068 0.117 1
1 281 . 4 0 1 A 30 30 ALA HA H 30 4.141 4.007 0.134 1
1 285 . 4 0 1 A 30 30 ALA CA C 30 55.716 55.082 0.634 1
1 286 . 4 0 1 A 30 30 ALA CB C 30 17.815 18.335 -0.520 1
1 287 . 4 0 1 A 30 30 ALA N N 30 123.330 122.092 1.238 1
1 288 . 4 0 1 A 31 31 ALA H H 31 7.852 8.346 -0.494 1
1 289 . 4 0 1 A 31 31 ALA HA H 31 4.182 3.506 0.676 1
1 293 . 4 0 1 A 31 31 ALA CA C 31 55.395 54.697 0.698 1
1 294 . 4 0 1 A 31 31 ALA CB C 31 18.712 18.537 0.175 1
1 295 . 4 0 1 A 31 31 ALA N N 31 122.920 119.420 3.500 1
1 296 . 4 0 1 A 32 32 PHE H H 32 8.497 7.452 1.045 1
1 297 . 4 0 1 A 32 32 PHE HA H 32 4.300 4.358 -0.058 1
1 303 . 4 0 1 A 32 32 PHE CA C 32 59.972 61.423 -1.451 1
1 304 . 4 0 1 A 32 32 PHE CB C 32 39.152 37.881 1.271 1
1 308 . 4 0 1 A 32 32 PHE N N 32 123.980 116.358 7.622 1
1 309 . 4 0 1 A 33 33 ASP H H 33 8.380 8.272 0.108 1
1 310 . 4 0 1 A 33 33 ASP HA H 33 4.298 4.314 -0.016 1
1 313 . 4 0 1 A 33 33 ASP CA C 33 57.394 57.827 -0.433 1
1 314 . 4 0 1 A 33 33 ASP CB C 33 38.380 41.278 -2.898 1
1 315 . 4 0 1 A 33 33 ASP N N 33 119.640 120.619 -0.979 1
1 316 . 4 0 1 A 34 34 ASN H H 34 7.854 7.880 -0.026 1
1 317 . 4 0 1 A 34 34 ASN HA H 34 4.410 4.383 0.027 1
1 321 . 4 0 1 A 34 34 ASN CA C 34 56.974 56.387 0.587 1
1 322 . 4 0 1 A 34 34 ASN CB C 34 38.740 38.669 0.071 1
1 323 . 4 0 1 A 34 34 ASN N N 34 119.710 117.676 2.034 1
1 325 . 4 0 1 A 35 35 ALA H H 35 7.743 8.259 -0.516 1
1 326 . 4 0 1 A 35 35 ALA HA H 35 2.999 4.034 -1.035 1
1 330 . 4 0 1 A 35 35 ALA CA C 35 55.881 55.076 0.805 1
1 331 . 4 0 1 A 35 35 ALA CB C 35 17.360 18.976 -1.616 1
1 332 . 4 0 1 A 35 35 ALA N N 35 123.520 121.500 2.020 1
1 333 . 4 0 1 A 36 36 VAL H H 36 7.802 9.026 -1.224 1
1 334 . 4 0 1 A 36 36 VAL HA H 36 2.973 3.515 -0.542 1
1 342 . 4 0 1 A 36 36 VAL CA C 36 67.829 66.542 1.287 1
1 343 . 4 0 1 A 36 36 VAL CB C 36 32.410 31.324 1.086 1
1 346 . 4 0 1 A 36 36 VAL N N 36 115.430 117.778 -2.348 1
1 347 . 4 0 1 A 37 37 GLN H H 37 7.027 7.952 -0.925 1
1 348 . 4 0 1 A 37 37 GLN HA H 37 4.093 3.963 0.130 1
1 353 . 4 0 1 A 37 37 GLN CA C 37 59.039 59.326 -0.287 1
1 354 . 4 0 1 A 37 37 GLN CB C 37 28.910 28.153 0.757 1
1 356 . 4 0 1 A 37 37 GLN N N 37 116.140 120.531 -4.391 1
1 358 . 4 0 1 A 38 38 GLN H H 38 8.443 7.839 0.604 1
1 359 . 4 0 1 A 38 38 GLN HA H 38 3.939 3.969 -0.030 1
1 365 . 4 0 1 A 38 38 GLN CA C 38 58.748 59.057 -0.309 1
1 366 . 4 0 1 A 38 38 GLN CB C 38 28.854 28.510 0.344 1
1 368 . 4 0 1 A 38 38 GLN N N 38 120.080 118.847 1.233 1
1 370 . 4 0 1 A 39 39 LEU H H 39 7.565 7.852 -0.287 1
1 371 . 4 0 1 A 39 39 LEU HA H 39 4.199 4.107 0.092 1
1 380 . 4 0 1 A 39 39 LEU CA C 39 54.901 57.167 -2.266 1
1 381 . 4 0 1 A 39 39 LEU CB C 39 42.208 41.380 0.828 1
1 383 . 4 0 1 A 39 39 LEU N N 39 117.930 119.334 -1.404 1
1 384 . 4 0 1 A 40 40 ASN H H 40 7.976 8.120 -0.144 1
1 385 . 4 0 1 A 40 40 ASN HA H 40 4.313 4.473 -0.160 1
1 389 . 4 0 1 A 40 40 ASN CA C 40 54.625 54.273 0.352 1
1 390 . 4 0 1 A 40 40 ASN CB C 40 36.903 37.328 -0.425 1
1 391 . 4 0 1 A 40 40 ASN N N 40 118.780 117.150 1.630 1
1 393 . 4 0 1 A 41 41 CYS H H 41 7.833 7.753 0.080 1
1 394 . 4 0 1 A 41 41 CYS HA H 41 4.888 4.564 0.324 1
1 397 . 4 0 1 A 41 41 CYS CA C 41 55.148 56.462 -1.314 1
1 398 . 4 0 1 A 41 41 CYS CB C 41 42.078 42.351 -0.273 1
1 399 . 4 0 1 A 41 41 CYS N N 41 115.600 116.071 -0.471 1
1 400 . 4 0 1 A 42 42 LEU H H 42 8.371 7.968 0.403 1
1 401 . 4 0 1 A 42 42 LEU HA H 42 4.340 3.982 0.358 1
1 410 . 4 0 1 A 42 42 LEU CA C 42 55.342 57.564 -2.222 1
1 411 . 4 0 1 A 42 42 LEU CB C 42 43.358 40.120 3.238 1
1 415 . 4 0 1 A 42 42 LEU N N 42 116.770 118.535 -1.765 1
1 416 . 4 0 1 A 43 43 ASN H H 43 7.025 8.433 -1.408 1
1 417 . 4 0 1 A 43 43 ASN HA H 43 4.767 5.097 -0.330 1
1 422 . 4 0 1 A 43 43 ASN CA C 43 51.715 51.502 0.213 1
1 423 . 4 0 1 A 43 43 ASN CB C 43 41.011 39.773 1.238 1
1 424 . 4 0 1 A 43 43 ASN N N 43 111.360 114.881 -3.521 1
1 426 . 4 0 1 A 44 44 ARG H H 44 8.735 9.151 -0.416 1
1 427 . 4 0 1 A 44 44 ARG HA H 44 3.868 4.323 -0.455 1
1 431 . 4 0 1 A 44 44 ARG CA C 44 60.307 57.758 2.549 1
1 432 . 4 0 1 A 44 44 ARG CB C 44 30.895 30.219 0.676 1
1 433 . 4 0 1 A 44 44 ARG N N 44 118.870 120.403 -1.533 1
1 434 . 4 0 1 A 45 45 ALA H H 45 8.381 8.050 0.331 1
1 435 . 4 0 1 A 45 45 ALA HA H 45 3.814 4.037 -0.223 1
1 439 . 4 0 1 A 45 45 ALA CA C 45 56.384 55.161 1.223 1
1 440 . 4 0 1 A 45 45 ALA CB C 45 17.800 17.876 -0.076 1
1 441 . 4 0 1 A 45 45 ALA N N 45 125.360 121.245 4.115 1
1 442 . 4 0 1 A 46 46 CYS H H 46 8.027 8.053 -0.026 1
1 443 . 4 0 1 A 46 46 CYS HA H 46 4.168 4.217 -0.049 1
1 446 . 4 0 1 A 46 46 CYS CA C 46 59.006 58.699 0.307 1
1 447 . 4 0 1 A 46 46 CYS CB C 46 33.410 41.873 -8.463 1
1 448 . 4 0 1 A 46 46 CYS N N 46 117.400 117.041 0.359 1
1 449 . 4 0 1 A 47 47 ALA H H 47 7.144 8.294 -1.150 1
1 450 . 4 0 1 A 47 47 ALA HA H 47 3.837 4.005 -0.168 1
1 454 . 4 0 1 A 47 47 ALA CA C 47 55.130 55.051 0.079 1
1 455 . 4 0 1 A 47 47 ALA CB C 47 19.618 18.683 0.935 1
1 456 . 4 0 1 A 47 47 ALA N N 47 123.130 122.483 0.647 1
1 457 . 4 0 1 A 48 48 TYR H H 48 8.841 8.331 0.510 1
1 458 . 4 0 1 A 48 48 TYR HA H 48 3.896 4.326 -0.430 1
1 462 . 4 0 1 A 48 48 TYR CA C 48 63.769 61.691 2.078 1
1 463 . 4 0 1 A 48 48 TYR CB C 48 40.446 37.537 2.909 1
1 466 . 4 0 1 A 48 48 TYR N N 48 120.860 116.556 4.304 1
1 467 . 4 0 1 A 49 49 ARG H H 49 8.501 8.510 -0.009 1
1 468 . 4 0 1 A 49 49 ARG HA H 49 3.840 4.193 -0.353 1
1 470 . 4 0 1 A 49 49 ARG CA C 49 60.324 59.352 0.972 1
1 471 . 4 0 1 A 49 49 ARG CB C 49 29.890 29.915 -0.025 1
1 472 . 4 0 1 A 49 49 ARG N N 49 117.110 121.711 -4.601 1
1 473 . 4 0 1 A 50 50 LYS H H 50 7.817 7.735 0.082 1
1 474 . 4 0 1 A 50 50 LYS HA H 50 3.965 4.160 -0.195 1
1 477 . 4 0 1 A 50 50 LYS CA C 50 61.111 58.986 2.125 1
1 478 . 4 0 1 A 50 50 LYS CB C 50 33.272 31.662 1.610 1
1 479 . 4 0 1 A 50 50 LYS N N 50 119.510 119.306 0.204 1
1 480 . 4 0 1 A 51 51 MET H H 51 7.934 8.061 -0.127 1
1 481 . 4 0 1 A 51 51 MET HA H 51 4.199 4.066 0.133 1
1 484 . 4 0 1 A 51 51 MET CA C 51 60.407 58.547 1.860 1
1 485 . 4 0 1 A 51 51 MET CB C 51 33.492 31.746 1.746 1
1 487 . 4 0 1 A 51 51 MET N N 51 119.740 118.597 1.143 1
1 488 . 4 0 1 A 52 52 CYS H H 52 8.545 8.583 -0.038 1
1 489 . 4 0 1 A 52 52 CYS HA H 52 4.018 4.373 -0.355 1
1 492 . 4 0 1 A 52 52 CYS CA C 52 60.109 59.150 0.959 1
1 493 . 4 0 1 A 52 52 CYS CB C 52 40.790 42.287 -1.497 1
1 494 . 4 0 1 A 52 52 CYS N N 52 119.160 117.060 2.100 1
1 495 . 4 0 1 A 53 53 ALA H H 53 7.626 7.894 -0.268 1
1 496 . 4 0 1 A 53 53 ALA HA H 53 4.182 4.124 0.058 1
1 500 . 4 0 1 A 53 53 ALA CA C 53 54.149 54.757 -0.608 1
1 501 . 4 0 1 A 53 53 ALA CB C 53 18.492 19.347 -0.855 1
1 502 . 4 0 1 A 53 53 ALA N N 53 122.360 122.534 -0.174 1
1 503 . 4 0 1 A 54 54 THR H H 54 7.041 7.959 -0.918 1
1 504 . 4 0 1 A 54 54 THR HA H 54 4.180 4.664 -0.484 1
1 509 . 4 0 1 A 54 54 THR CA C 54 63.143 63.327 -0.184 1
1 510 . 4 0 1 A 54 54 THR CB C 54 71.301 71.256 0.045 1
1 512 . 4 0 1 A 54 54 THR N N 54 107.780 109.273 -1.493 1
1 513 . 4 0 1 A 55 55 ASN H H 55 8.071 7.815 0.256 1
1 514 . 4 0 1 A 55 55 ASN HA H 55 4.409 5.011 -0.602 1
1 518 . 4 0 1 A 55 55 ASN CA C 55 55.475 52.466 3.009 1
1 519 . 4 0 1 A 55 55 ASN CB C 55 38.226 40.728 -2.502 1
1 520 . 4 0 1 A 55 55 ASN N N 55 114.220 115.305 -1.085 1
1 522 . 4 0 1 A 56 56 ASN H H 56 7.751 8.616 -0.865 1
1 523 . 4 0 1 A 56 56 ASN HA H 56 4.598 4.761 -0.163 1
1 528 . 4 0 1 A 56 56 ASN CA C 56 53.301 54.666 -1.365 1
1 529 . 4 0 1 A 56 56 ASN CB C 56 38.408 39.715 -1.307 1
1 530 . 4 0 1 A 56 56 ASN N N 56 117.400 116.651 0.749 1
1 532 . 4 0 1 A 57 57 LEU H H 57 8.623 8.289 0.334 1
1 533 . 4 0 1 A 57 57 LEU HA H 57 3.783 3.989 -0.206 1
1 536 . 4 0 1 A 57 57 LEU CA C 57 58.796 57.121 1.675 1
1 537 . 4 0 1 A 57 57 LEU CB C 57 42.709 41.420 1.289 1
1 538 . 4 0 1 A 57 57 LEU N N 57 127.190 119.547 7.643 1
1 539 . 4 0 1 A 58 58 GLU H H 58 8.353 8.534 -0.181 1
1 540 . 4 0 1 A 58 58 GLU HA H 58 3.792 4.075 -0.283 1
1 543 . 4 0 1 A 58 58 GLU CA C 58 60.263 59.056 1.207 1
1 544 . 4 0 1 A 58 58 GLU CB C 58 27.565 28.548 -0.983 1
1 546 . 4 0 1 A 58 58 GLU N N 58 117.370 119.656 -2.286 1
1 547 . 4 0 1 A 59 59 GLN H H 59 7.434 7.984 -0.550 1
1 548 . 4 0 1 A 59 59 GLN HA H 59 3.850 4.005 -0.155 1
1 553 . 4 0 1 A 59 59 GLN CA C 59 58.858 58.654 0.204 1
1 554 . 4 0 1 A 59 59 GLN CB C 59 28.858 28.514 0.344 1
1 556 . 4 0 1 A 59 59 GLN N N 59 119.730 119.074 0.656 1
1 558 . 4 0 1 A 60 60 ALA H H 60 8.043 7.830 0.213 1
1 559 . 4 0 1 A 60 60 ALA HA H 60 4.090 4.207 -0.117 1
1 563 . 4 0 1 A 60 60 ALA CA C 60 55.496 54.760 0.736 1
1 564 . 4 0 1 A 60 60 ALA CB C 60 19.168 19.064 0.104 1
1 565 . 4 0 1 A 60 60 ALA N N 60 124.010 121.497 2.513 1
1 566 . 4 0 1 A 61 61 MET H H 61 8.690 8.375 0.315 1
1 567 . 4 0 1 A 61 61 MET HA H 61 4.240 3.893 0.347 1
1 571 . 4 0 1 A 61 61 MET CA C 61 59.964 57.894 2.070 1
1 572 . 4 0 1 A 61 61 MET CB C 61 34.709 32.132 2.577 1
1 574 . 4 0 1 A 61 61 MET N N 61 114.840 117.093 -2.253 1
1 575 . 4 0 1 A 62 62 SER H H 62 7.697 7.747 -0.050 1
1 576 . 4 0 1 A 62 62 SER HA H 62 4.527 3.607 0.920 1
1 579 . 4 0 1 A 62 62 SER CA C 62 61.590 60.949 0.641 1
1 580 . 4 0 1 A 62 62 SER CB C 62 63.726 62.953 0.773 1
1 581 . 4 0 1 A 62 62 SER N N 62 115.290 115.197 0.093 1
1 582 . 4 0 1 A 63 63 VAL H H 63 6.876 7.666 -0.790 1
1 583 . 4 0 1 A 63 63 VAL HA H 63 3.366 3.597 -0.231 1
1 591 . 4 0 1 A 63 63 VAL CA C 63 65.247 66.425 -1.178 1
1 592 . 4 0 1 A 63 63 VAL CB C 63 32.621 31.419 1.202 1
1 595 . 4 0 1 A 63 63 VAL N N 63 120.720 121.953 -1.233 1
1 596 . 4 0 1 A 64 64 TYR H H 64 6.677 7.835 -1.158 1
1 597 . 4 0 1 A 64 64 TYR HA H 64 4.274 4.358 -0.084 1
1 602 . 4 0 1 A 64 64 TYR CA C 64 57.735 60.342 -2.607 1
1 603 . 4 0 1 A 64 64 TYR CB C 64 42.007 38.904 3.103 1
1 606 . 4 0 1 A 64 64 TYR N N 64 115.320 118.967 -3.647 1
1 607 . 4 0 1 A 65 65 PHE H H 65 8.052 7.616 0.436 1
1 608 . 4 0 1 A 65 65 PHE HA H 65 5.160 5.048 0.112 1
1 614 . 4 0 1 A 65 65 PHE CA C 65 56.486 56.125 0.361 1
1 615 . 4 0 1 A 65 65 PHE CB C 65 43.296 40.402 2.894 1
1 619 . 4 0 1 A 65 65 PHE N N 65 117.410 117.004 0.406 1
1 620 . 4 0 1 A 66 66 THR H H 66 8.302 8.989 -0.687 1
1 621 . 4 0 1 A 66 66 THR HA H 66 4.657 4.820 -0.163 1
1 626 . 4 0 1 A 66 66 THR CA C 66 60.932 60.466 0.466 1
1 627 . 4 0 1 A 66 66 THR CB C 66 71.138 71.747 -0.609 1
1 629 . 4 0 1 A 66 66 THR N N 66 111.430 113.679 -2.249 1
1 630 . 4 0 1 A 67 67 ASN H H 67 9.025 9.032 -0.007 1
1 631 . 4 0 1 A 67 67 ASN HA H 67 4.223 4.475 -0.252 1
1 636 . 4 0 1 A 67 67 ASN CA C 67 57.459 57.320 0.139 1
1 637 . 4 0 1 A 67 67 ASN CB C 67 38.180 37.984 0.196 1
1 638 . 4 0 1 A 67 67 ASN N N 67 120.120 120.265 -0.145 1
1 640 . 4 0 1 A 68 68 GLU H H 68 8.403 8.419 -0.016 1
1 641 . 4 0 1 A 68 68 GLU HA H 68 3.956 4.006 -0.050 1
1 645 . 4 0 1 A 68 68 GLU CA C 68 59.700 59.138 0.562 1
1 646 . 4 0 1 A 68 68 GLU CB C 68 28.105 28.772 -0.667 1
1 648 . 4 0 1 A 68 68 GLU N N 68 120.220 117.932 2.288 1
1 649 . 4 0 1 A 69 69 GLN H H 69 7.411 7.955 -0.544 1
1 650 . 4 0 1 A 69 69 GLN HA H 69 3.822 4.156 -0.334 1
1 657 . 4 0 1 A 69 69 GLN CA C 69 58.952 58.603 0.349 1
1 658 . 4 0 1 A 69 69 GLN CB C 69 28.418 28.239 0.179 1
1 659 . 4 0 1 A 69 69 GLN N N 69 120.940 119.077 1.863 1
1 661 . 4 0 1 A 70 70 ILE H H 70 8.327 7.419 0.908 1
1 662 . 4 0 1 A 70 70 ILE HA H 70 3.036 3.653 -0.617 1
1 671 . 4 0 1 A 70 70 ILE CA C 70 66.926 62.016 4.910 1
1 672 . 4 0 1 A 70 70 ILE CB C 70 38.603 37.368 1.235 1
1 676 . 4 0 1 A 70 70 ILE N N 70 120.560 119.449 1.111 1
1 677 . 4 0 1 A 71 71 LYS H H 71 7.554 7.875 -0.321 1
1 678 . 4 0 1 A 71 71 LYS HA H 71 3.909 3.841 0.068 1
1 681 . 4 0 1 A 71 71 LYS CA C 71 60.156 60.378 -0.222 1
1 682 . 4 0 1 A 71 71 LYS CB C 71 32.294 32.096 0.198 1
1 683 . 4 0 1 A 71 71 LYS N N 71 121.040 121.888 -0.848 1
1 684 . 4 0 1 A 72 72 GLU H H 72 7.885 7.959 -0.074 1
1 685 . 4 0 1 A 72 72 GLU HA H 72 3.989 4.015 -0.026 1
1 688 . 4 0 1 A 72 72 GLU CA C 72 60.266 59.368 0.898 1
1 689 . 4 0 1 A 72 72 GLU CB C 72 30.213 29.531 0.682 1
1 691 . 4 0 1 A 72 72 GLU N N 72 119.670 119.911 -0.241 1
1 692 . 4 0 1 A 73 73 ILE H H 73 8.193 7.861 0.332 1
1 693 . 4 0 1 A 73 73 ILE HA H 73 3.312 3.860 -0.548 1
1 703 . 4 0 1 A 73 73 ILE CA C 73 66.520 63.620 2.900 1
1 704 . 4 0 1 A 73 73 ILE CB C 73 38.344 37.451 0.893 1
1 708 . 4 0 1 A 73 73 ILE N N 73 121.390 120.660 0.730 1
1 709 . 4 0 1 A 74 74 HIS H H 74 8.624 8.124 0.500 1
1 710 . 4 0 1 A 74 74 HIS HA H 74 4.174 4.402 -0.228 1
1 714 . 4 0 1 A 74 74 HIS CA C 74 59.179 60.086 -0.907 1
1 715 . 4 0 1 A 74 74 HIS CB C 74 28.498 29.845 -1.347 1
1 718 . 4 0 1 A 74 74 HIS N N 74 119.430 120.954 -1.524 1
1 719 . 4 0 1 A 75 75 ASP H H 75 8.824 8.294 0.530 1
1 720 . 4 0 1 A 75 75 ASP HA H 75 4.276 4.247 0.029 1
1 722 . 4 0 1 A 75 75 ASP CA C 75 56.474 57.837 -1.363 1
1 723 . 4 0 1 A 75 75 ASP CB C 75 38.100 41.772 -3.672 1
1 724 . 4 0 1 A 75 75 ASP N N 75 119.980 119.058 0.922 1
1 725 . 4 0 1 A 76 76 ALA H H 76 8.064 8.589 -0.525 1
1 726 . 4 0 1 A 76 76 ALA HA H 76 4.012 4.101 -0.089 1
1 730 . 4 0 1 A 76 76 ALA CA C 76 54.988 54.910 0.078 1
1 731 . 4 0 1 A 76 76 ALA CB C 76 20.747 18.279 2.468 1
1 732 . 4 0 1 A 76 76 ALA N N 76 125.030 120.702 4.328 1
1 733 . 4 0 1 A 77 77 ALA H H 77 8.659 8.114 0.545 1
1 734 . 4 0 1 A 77 77 ALA HA H 77 3.613 4.081 -0.468 1
1 738 . 4 0 1 A 77 77 ALA CA C 77 55.772 53.075 2.697 1
1 739 . 4 0 1 A 77 77 ALA CB C 77 18.217 18.633 -0.416 1
1 740 . 4 0 1 A 77 77 ALA N N 77 122.060 119.442 2.618 1
1 741 . 4 0 1 A 78 78 THR H H 78 7.651 7.675 -0.024 1
1 742 . 4 0 1 A 78 78 THR HA H 78 3.762 4.055 -0.293 1
1 747 . 4 0 1 A 78 78 THR CA C 78 66.360 64.934 1.426 1
1 748 . 4 0 1 A 78 78 THR CB C 78 68.873 69.344 -0.471 1
1 750 . 4 0 1 A 78 78 THR N N 78 113.580 113.071 0.509 1
1 751 . 4 0 1 A 79 79 ALA H H 79 7.291 7.979 -0.688 1
1 752 . 4 0 1 A 79 79 ALA HA H 79 4.022 4.163 -0.141 1
1 756 . 4 0 1 A 79 79 ALA CA C 79 54.713 51.876 2.837 1
1 757 . 4 0 1 A 79 79 ALA CB C 79 18.695 19.271 -0.576 1
1 758 . 4 0 1 A 79 79 ALA N N 79 123.330 120.006 3.324 1
1 759 . 4 0 1 A 80 80 CYS H H 80 7.781 7.830 -0.049 1
1 760 . 4 0 1 A 80 80 CYS HA H 80 4.295 5.118 -0.823 1
1 762 . 4 0 1 A 80 80 CYS CA C 80 57.577 57.812 -0.235 1
1 763 . 4 0 1 A 80 80 CYS CB C 80 43.192 40.745 2.447 1
1 764 . 4 0 1 A 80 80 CYS N N 80 115.190 114.642 0.548 1
1 765 . 4 0 1 A 81 81 ASP H H 81 7.323 7.300 0.023 1
1 766 . 4 0 1 A 81 81 ASP HA H 81 4.743 5.101 -0.358 1
1 769 . 4 0 1 A 81 81 ASP CA C 81 52.419 51.159 1.260 1
1 770 . 4 0 1 A 81 81 ASP CB C 81 40.376 41.648 -1.272 1
1 771 . 4 0 1 A 81 81 ASP N N 81 121.570 119.668 1.902 1
1 772 . 4 0 1 A 82 82 PRO HA H 82 4.312 4.738 -0.426 1
1 777 . 4 0 1 A 82 82 PRO CA C 82 64.427 63.133 1.294 1
1 778 . 4 0 1 A 82 82 PRO CB C 82 32.685 30.838 1.847 1
1 780 . 4 0 1 A 83 83 GLU H H 83 8.036 8.617 -0.581 1
1 781 . 4 0 1 A 83 83 GLU HA H 83 4.126 4.173 -0.047 1
1 785 . 4 0 1 A 83 83 GLU CA C 83 56.523 57.510 -0.987 1
1 786 . 4 0 1 A 83 83 GLU CB C 83 28.819 29.015 -0.196 1
1 788 . 4 0 1 A 83 83 GLU N N 83 118.550 122.146 -3.596 1
1 789 . 4 0 1 A 84 84 ALA H H 84 7.695 8.156 -0.461 1
1 790 . 4 0 1 A 84 84 ALA HA H 84 4.083 4.649 -0.566 1
1 794 . 4 0 1 A 84 84 ALA CA C 84 52.963 53.100 -0.137 1
1 795 . 4 0 1 A 84 84 ALA CB C 84 19.516 20.933 -1.417 1
1 796 . 4 0 1 A 84 84 ALA N N 84 123.730 120.839 2.891 1
1 797 . 4 0 1 A 85 85 HIS H H 85 8.078 8.172 -0.094 1
1 798 . 4 0 1 A 85 85 HIS HA H 85 4.529 4.658 -0.129 1
1 803 . 4 0 1 A 85 85 HIS CA C 85 55.480 57.657 -2.177 1
1 804 . 4 0 1 A 85 85 HIS CB C 85 29.115 31.323 -2.208 1
1 807 . 4 0 1 A 85 85 HIS N N 85 117.030 117.452 -0.422 1
1 808 . 4 0 1 A 86 86 HIS H H 86 8.352 8.567 -0.215 1
1 809 . 4 0 1 A 86 86 HIS HA H 86 4.596 4.079 0.517 1
1 814 . 4 0 1 A 86 86 HIS CA C 86 55.496 57.027 -1.531 1
1 815 . 4 0 1 A 86 86 HIS CB C 86 29.414 28.404 1.010 1
1 818 . 4 0 1 A 86 86 HIS N N 86 120.170 117.484 2.686 1
1 819 . 4 0 1 A 87 87 GLU H H 87 8.300 8.578 -0.278 1
1 820 . 4 0 1 A 87 87 GLU HA H 87 4.194 3.961 0.233 1
1 823 . 4 0 1 A 87 87 GLU CA C 87 56.264 58.329 -2.065 1
1 824 . 4 0 1 A 87 87 GLU CB C 87 29.329 27.800 1.529 1
1 826 . 4 0 1 A 87 87 GLU N N 87 121.850 112.112 9.738 1
1 827 . 4 0 1 A 88 88 HIS H H 88 8.524 8.062 0.462 1
1 828 . 4 0 1 A 88 88 HIS HA H 88 4.597 4.086 0.511 1
1 832 . 4 0 1 A 88 88 HIS CA C 88 55.621 56.666 -1.045 1
1 833 . 4 0 1 A 88 88 HIS CB C 88 29.150 27.905 1.245 1
1 836 . 4 0 1 A 88 88 HIS N N 88 119.750 117.226 2.524 1
1 837 . 4 0 1 A 89 89 ASP H H 89 8.343 7.867 0.476 1
1 838 . 4 0 1 A 89 89 ASP HA H 89 4.579 4.556 0.023 1
1 840 . 4 0 1 A 89 89 ASP CA C 89 53.805 54.916 -1.111 1
1 841 . 4 0 1 A 89 89 ASP CB C 89 38.560 41.826 -3.266 1
1 842 . 4 0 1 A 89 89 ASP N N 89 120.950 120.598 0.352 1
1 9 . 5 0 1 A 2 2 HIS H H 2 8.902 9.025 -0.123 1
1 10 . 5 0 1 A 2 2 HIS HA H 2 4.665 4.174 0.491 1
1 14 . 5 0 1 A 2 2 HIS CA C 2 55.744 56.772 -1.028 1
1 15 . 5 0 1 A 2 2 HIS CB C 2 29.481 29.185 0.296 1
1 18 . 5 0 1 A 2 2 HIS N N 2 122.160 120.030 2.130 1
1 19 . 5 0 1 A 3 3 GLN H H 3 8.624 7.811 0.813 1
1 20 . 5 0 1 A 3 3 GLN HA H 3 4.265 4.044 0.221 1
1 24 . 5 0 1 A 3 3 GLN CA C 3 55.961 57.485 -1.524 1
1 25 . 5 0 1 A 3 3 GLN CB C 3 29.727 29.971 -0.244 1
1 27 . 5 0 1 A 3 3 GLN N N 3 123.710 119.211 4.499 1
1 29 . 5 0 1 A 4 4 GLU H H 4 8.499 7.893 0.606 1
1 30 . 5 0 1 A 4 4 GLU HA H 4 4.250 4.530 -0.280 1
1 33 . 5 0 1 A 4 4 GLU CA C 4 56.888 55.485 1.403 1
1 34 . 5 0 1 A 4 4 GLU CB C 4 29.316 30.296 -0.980 1
1 36 . 5 0 1 A 4 4 GLU N N 4 123.160 118.470 4.690 1
1 37 . 5 0 1 A 5 5 LEU H H 5 8.464 8.197 0.267 1
1 38 . 5 0 1 A 5 5 LEU HA H 5 4.004 4.110 -0.106 1
1 50 . 5 0 1 A 5 5 LEU N N 5 123.070 120.929 2.141 1
1 51 . 5 0 1 A 6 6 CYS H H 6 7.980 7.878 0.102 1
1 52 . 5 0 1 A 6 6 CYS HA H 6 4.565 4.794 -0.229 1
1 55 . 5 0 1 A 6 6 CYS N N 6 113.540 117.753 -4.213 1
1 56 . 5 0 1 A 7 7 THR H H 7 7.639 8.358 -0.719 1
1 57 . 5 0 1 A 7 7 THR HA H 7 4.344 4.440 -0.096 1
1 62 . 5 0 1 A 7 7 THR CA C 7 61.772 62.934 -1.162 1
1 63 . 5 0 1 A 7 7 THR CB C 7 69.825 69.939 -0.114 1
1 65 . 5 0 1 A 7 7 THR N N 7 108.740 115.202 -6.462 1
1 66 . 5 0 1 A 8 8 LYS H H 8 7.380 8.249 -0.869 1
1 67 . 5 0 1 A 8 8 LYS HA H 8 4.174 3.882 0.292 1
1 72 . 5 0 1 A 8 8 LYS CA C 8 56.632 57.314 -0.682 1
1 73 . 5 0 1 A 8 8 LYS CB C 8 34.166 30.541 3.625 1
1 75 . 5 0 1 A 8 8 LYS N N 8 122.500 116.977 5.523 1
1 76 . 5 0 1 A 9 9 GLY H H 9 8.554 8.505 0.049 1
1 77 . 5 0 1 A 9 9 GLY HA2 H 9 4.027 3.968 0.059 1
1 78 . 5 0 1 A 9 9 GLY HA3 H 9 3.868 3.969 -0.101 1
1 79 . 5 0 1 A 9 9 GLY CA C 9 45.101 44.805 0.296 1
1 80 . 5 0 1 A 9 9 GLY N N 9 108.960 105.264 3.696 1
1 81 . 5 0 1 A 10 10 ASP H H 10 8.455 8.916 -0.461 1
1 82 . 5 0 1 A 10 10 ASP HA H 10 4.146 4.439 -0.293 1
1 84 . 5 0 1 A 10 10 ASP CA C 10 57.568 56.291 1.277 1
1 85 . 5 0 1 A 10 10 ASP CB C 10 38.723 40.212 -1.489 1
1 86 . 5 0 1 A 10 10 ASP N N 10 118.550 120.927 -2.377 1
1 87 . 5 0 1 A 11 11 ASP H H 11 8.538 8.306 0.232 1
1 88 . 5 0 1 A 11 11 ASP HA H 11 4.262 4.370 -0.108 1
1 90 . 5 0 1 A 11 11 ASP CA C 11 56.696 57.246 -0.550 1
1 91 . 5 0 1 A 11 11 ASP CB C 11 37.812 40.667 -2.855 1
1 92 . 5 0 1 A 11 11 ASP N N 11 118.150 120.751 -2.601 1
1 93 . 5 0 1 A 12 12 ALA H H 12 7.935 7.597 0.338 1
1 94 . 5 0 1 A 12 12 ALA HA H 12 4.052 4.057 -0.005 1
1 98 . 5 0 1 A 12 12 ALA CA C 12 55.104 54.444 0.660 1
1 99 . 5 0 1 A 12 12 ALA CB C 12 19.122 18.260 0.862 1
1 100 . 5 0 1 A 12 12 ALA N N 12 123.880 121.458 2.422 1
1 101 . 5 0 1 A 13 13 LEU H H 13 8.367 7.639 0.728 1
1 102 . 5 0 1 A 13 13 LEU HA H 13 4.524 3.996 0.528 1
1 104 . 5 0 1 A 13 13 LEU CA C 13 54.138 57.358 -3.220 1
1 105 . 5 0 1 A 13 13 LEU CB C 13 39.063 41.245 -2.182 1
1 106 . 5 0 1 A 13 13 LEU N N 13 120.800 117.095 3.705 1
1 107 . 5 0 1 A 14 14 VAL H H 14 8.127 7.604 0.523 1
1 108 . 5 0 1 A 14 14 VAL HA H 14 3.354 3.781 -0.427 1
1 116 . 5 0 1 A 14 14 VAL CA C 14 67.895 65.497 2.398 1
1 117 . 5 0 1 A 14 14 VAL CB C 14 32.471 31.024 1.447 1
1 120 . 5 0 1 A 14 14 VAL N N 14 121.290 119.634 1.656 1
1 121 . 5 0 1 A 15 15 THR H H 15 7.813 8.123 -0.310 1
1 122 . 5 0 1 A 15 15 THR HA H 15 3.824 3.785 0.039 1
1 127 . 5 0 1 A 15 15 THR CA C 15 66.838 67.187 -0.349 1
1 128 . 5 0 1 A 15 15 THR CB C 15 69.152 68.449 0.703 1
1 130 . 5 0 1 A 15 15 THR N N 15 115.770 116.680 -0.910 1
1 131 . 5 0 1 A 16 16 GLU H H 16 8.201 8.788 -0.587 1
1 132 . 5 0 1 A 16 16 GLU HA H 16 4.134 3.935 0.199 1
1 136 . 5 0 1 A 16 16 GLU CA C 16 60.219 59.238 0.981 1
1 137 . 5 0 1 A 16 16 GLU CB C 16 27.443 29.190 -1.747 1
1 139 . 5 0 1 A 16 16 GLU N N 16 123.330 119.776 3.554 1
1 140 . 5 0 1 A 17 17 LEU H H 17 8.637 8.455 0.182 1
1 141 . 5 0 1 A 17 17 LEU HA H 17 3.779 3.978 -0.199 1
1 145 . 5 0 1 A 17 17 LEU CA C 17 58.646 57.913 0.733 1
1 146 . 5 0 1 A 17 17 LEU CB C 17 41.289 41.274 0.015 1
1 147 . 5 0 1 A 17 17 LEU N N 17 119.350 121.153 -1.803 1
1 148 . 5 0 1 A 18 18 GLU H H 18 7.903 8.806 -0.903 1
1 149 . 5 0 1 A 18 18 GLU HA H 18 4.048 3.921 0.127 1
1 153 . 5 0 1 A 18 18 GLU CA C 18 59.140 59.585 -0.445 1
1 154 . 5 0 1 A 18 18 GLU CB C 18 27.587 28.940 -1.353 1
1 156 . 5 0 1 A 18 18 GLU N N 18 122.730 119.203 3.527 1
1 157 . 5 0 1 A 19 19 CYS H H 19 7.231 7.731 -0.500 1
1 158 . 5 0 1 A 19 19 CYS HA H 19 4.135 4.645 -0.510 1
1 161 . 5 0 1 A 19 19 CYS CA C 19 60.041 56.471 3.570 1
1 162 . 5 0 1 A 19 19 CYS CB C 19 39.419 42.648 -3.229 1
1 163 . 5 0 1 A 19 19 CYS N N 19 120.230 115.616 4.614 1
1 164 . 5 0 1 A 20 20 ILE H H 20 8.433 7.598 0.835 1
1 165 . 5 0 1 A 20 20 ILE HA H 20 3.288 4.082 -0.794 1
1 174 . 5 0 1 A 20 20 ILE CA C 20 66.135 63.728 2.407 1
1 175 . 5 0 1 A 20 20 ILE CB C 20 39.423 38.735 0.688 1
1 179 . 5 0 1 A 20 20 ILE N N 20 122.030 119.537 2.493 1
1 180 . 5 0 1 A 21 21 ARG H H 21 7.644 8.441 -0.797 1
1 181 . 5 0 1 A 21 21 ARG HA H 21 3.823 4.259 -0.436 1
1 183 . 5 0 1 A 21 21 ARG CA C 21 59.557 56.920 2.637 1
1 184 . 5 0 1 A 21 21 ARG CB C 21 30.680 30.653 0.027 1
1 187 . 5 0 1 A 21 21 ARG N N 21 119.330 120.213 -0.883 1
1 188 . 5 0 1 A 22 22 LEU H H 22 6.877 7.370 -0.493 1
1 189 . 5 0 1 A 22 22 LEU HA H 22 4.111 4.254 -0.143 1
1 199 . 5 0 1 A 22 22 LEU CA C 22 56.458 54.049 2.409 1
1 200 . 5 0 1 A 22 22 LEU CB C 22 42.824 41.045 1.779 1
1 204 . 5 0 1 A 22 22 LEU N N 22 114.780 115.441 -0.661 1
1 205 . 5 0 1 A 23 23 ARG H H 23 7.570 8.177 -0.607 1
1 206 . 5 0 1 A 23 23 ARG HA H 23 4.384 4.096 0.288 1
1 212 . 5 0 1 A 23 23 ARG CA C 23 56.733 57.531 -0.798 1
1 213 . 5 0 1 A 23 23 ARG CB C 23 33.160 29.927 3.233 1
1 216 . 5 0 1 A 23 23 ARG N N 23 117.100 118.849 -1.749 1
1 218 . 5 0 1 A 24 24 ILE H H 24 7.041 8.453 -1.412 1
1 219 . 5 0 1 A 24 24 ILE HA H 24 4.653 3.939 0.714 1
1 229 . 5 0 1 A 24 24 ILE CA C 24 60.889 63.815 -2.926 1
1 230 . 5 0 1 A 24 24 ILE CB C 24 40.480 36.699 3.781 1
1 234 . 5 0 1 A 24 24 ILE N N 24 112.510 117.575 -5.065 1
1 235 . 5 0 1 A 25 25 SER H H 25 8.441 8.385 0.056 1
1 236 . 5 0 1 A 25 25 SER HA H 25 4.572 4.709 -0.137 1
1 239 . 5 0 1 A 25 25 SER CA C 25 58.047 59.375 -1.328 1
1 240 . 5 0 1 A 25 25 SER CB C 25 63.703 65.095 -1.392 1
1 241 . 5 0 1 A 25 25 SER N N 25 116.820 119.146 -2.326 1
1 242 . 5 0 1 A 26 26 PRO HA H 26 4.457 4.513 -0.056 1
1 248 . 5 0 1 A 26 26 PRO CA C 26 66.703 62.449 4.254 1
1 249 . 5 0 1 A 26 26 PRO CB C 26 32.374 33.319 -0.945 1
1 252 . 5 0 1 A 27 27 GLU H H 27 8.543 9.162 -0.619 1
1 253 . 5 0 1 A 27 27 GLU HA H 27 4.170 4.037 0.133 1
1 257 . 5 0 1 A 27 27 GLU CA C 27 60.003 58.469 1.534 1
1 258 . 5 0 1 A 27 27 GLU CB C 27 27.944 29.713 -1.769 1
1 260 . 5 0 1 A 27 27 GLU N N 27 117.750 121.605 -3.855 1
1 261 . 5 0 1 A 28 28 THR H H 28 8.099 7.815 0.284 1
1 262 . 5 0 1 A 28 28 THR HA H 28 4.178 2.888 1.290 1
1 267 . 5 0 1 A 28 28 THR CA C 28 67.201 65.582 1.619 1
1 268 . 5 0 1 A 28 28 THR CB C 28 67.314 69.165 -1.851 1
1 270 . 5 0 1 A 28 28 THR N N 28 122.040 114.850 7.190 1
1 271 . 5 0 1 A 29 29 ASN H H 29 8.621 8.187 0.434 1
1 272 . 5 0 1 A 29 29 ASN HA H 29 4.522 4.430 0.092 1
1 276 . 5 0 1 A 29 29 ASN CA C 29 58.319 56.242 2.077 1
1 277 . 5 0 1 A 29 29 ASN CB C 29 39.553 38.285 1.268 1
1 278 . 5 0 1 A 29 29 ASN N N 29 122.850 118.423 4.427 1
1 280 . 5 0 1 A 30 30 ALA H H 30 8.185 7.924 0.261 1
1 281 . 5 0 1 A 30 30 ALA HA H 30 4.141 4.056 0.085 1
1 285 . 5 0 1 A 30 30 ALA CA C 30 55.716 54.947 0.769 1
1 286 . 5 0 1 A 30 30 ALA CB C 30 17.815 18.560 -0.745 1
1 287 . 5 0 1 A 30 30 ALA N N 30 123.330 122.262 1.068 1
1 288 . 5 0 1 A 31 31 ALA H H 31 7.852 8.183 -0.331 1
1 289 . 5 0 1 A 31 31 ALA HA H 31 4.182 3.606 0.576 1
1 293 . 5 0 1 A 31 31 ALA CA C 31 55.395 54.504 0.891 1
1 294 . 5 0 1 A 31 31 ALA CB C 31 18.712 18.186 0.526 1
1 295 . 5 0 1 A 31 31 ALA N N 31 122.920 119.725 3.195 1
1 296 . 5 0 1 A 32 32 PHE H H 32 8.497 7.185 1.312 1
1 297 . 5 0 1 A 32 32 PHE HA H 32 4.300 4.191 0.109 1
1 303 . 5 0 1 A 32 32 PHE CA C 32 59.972 61.246 -1.274 1
1 304 . 5 0 1 A 32 32 PHE CB C 32 39.152 37.894 1.258 1
1 308 . 5 0 1 A 32 32 PHE N N 32 123.980 115.920 8.060 1
1 309 . 5 0 1 A 33 33 ASP H H 33 8.380 8.000 0.380 1
1 310 . 5 0 1 A 33 33 ASP HA H 33 4.298 4.269 0.029 1
1 313 . 5 0 1 A 33 33 ASP CA C 33 57.394 57.637 -0.243 1
1 314 . 5 0 1 A 33 33 ASP CB C 33 38.380 41.665 -3.285 1
1 315 . 5 0 1 A 33 33 ASP N N 33 119.640 120.363 -0.723 1
1 316 . 5 0 1 A 34 34 ASN H H 34 7.854 8.207 -0.353 1
1 317 . 5 0 1 A 34 34 ASN HA H 34 4.410 4.435 -0.025 1
1 321 . 5 0 1 A 34 34 ASN CA C 34 56.974 55.139 1.835 1
1 322 . 5 0 1 A 34 34 ASN CB C 34 38.740 37.154 1.586 1
1 323 . 5 0 1 A 34 34 ASN N N 34 119.710 115.954 3.756 1
1 325 . 5 0 1 A 35 35 ALA H H 35 7.743 7.823 -0.080 1
1 326 . 5 0 1 A 35 35 ALA HA H 35 2.999 3.993 -0.994 1
1 330 . 5 0 1 A 35 35 ALA CA C 35 55.881 55.033 0.848 1
1 331 . 5 0 1 A 35 35 ALA CB C 35 17.360 18.558 -1.198 1
1 332 . 5 0 1 A 35 35 ALA N N 35 123.520 122.581 0.939 1
1 333 . 5 0 1 A 36 36 VAL H H 36 7.802 8.997 -1.195 1
1 334 . 5 0 1 A 36 36 VAL HA H 36 2.973 3.465 -0.492 1
1 342 . 5 0 1 A 36 36 VAL CA C 36 67.829 66.443 1.386 1
1 343 . 5 0 1 A 36 36 VAL CB C 36 32.410 31.281 1.129 1
1 346 . 5 0 1 A 36 36 VAL N N 36 115.430 117.934 -2.504 1
1 347 . 5 0 1 A 37 37 GLN H H 37 7.027 8.045 -1.018 1
1 348 . 5 0 1 A 37 37 GLN HA H 37 4.093 3.913 0.180 1
1 353 . 5 0 1 A 37 37 GLN CA C 37 59.039 58.986 0.053 1
1 354 . 5 0 1 A 37 37 GLN CB C 37 28.910 28.425 0.485 1
1 356 . 5 0 1 A 37 37 GLN N N 37 116.140 119.793 -3.653 1
1 358 . 5 0 1 A 38 38 GLN H H 38 8.443 7.833 0.610 1
1 359 . 5 0 1 A 38 38 GLN HA H 38 3.939 3.938 0.001 1
1 365 . 5 0 1 A 38 38 GLN CA C 38 58.748 58.939 -0.191 1
1 366 . 5 0 1 A 38 38 GLN CB C 38 28.854 28.514 0.340 1
1 368 . 5 0 1 A 38 38 GLN N N 38 120.080 118.800 1.280 1
1 370 . 5 0 1 A 39 39 LEU H H 39 7.565 7.690 -0.125 1
1 371 . 5 0 1 A 39 39 LEU HA H 39 4.199 4.018 0.181 1
1 380 . 5 0 1 A 39 39 LEU CA C 39 54.901 57.404 -2.503 1
1 381 . 5 0 1 A 39 39 LEU CB C 39 42.208 41.353 0.855 1
1 383 . 5 0 1 A 39 39 LEU N N 39 117.930 119.195 -1.265 1
1 384 . 5 0 1 A 40 40 ASN H H 40 7.976 8.043 -0.067 1
1 385 . 5 0 1 A 40 40 ASN HA H 40 4.313 4.536 -0.223 1
1 389 . 5 0 1 A 40 40 ASN CA C 40 54.625 54.263 0.362 1
1 390 . 5 0 1 A 40 40 ASN CB C 40 36.903 37.068 -0.165 1
1 391 . 5 0 1 A 40 40 ASN N N 40 118.780 116.743 2.037 1
1 393 . 5 0 1 A 41 41 CYS H H 41 7.833 8.183 -0.350 1
1 394 . 5 0 1 A 41 41 CYS HA H 41 4.888 4.538 0.350 1
1 397 . 5 0 1 A 41 41 CYS CA C 41 55.148 56.433 -1.285 1
1 398 . 5 0 1 A 41 41 CYS CB C 41 42.078 42.586 -0.508 1
1 399 . 5 0 1 A 41 41 CYS N N 41 115.600 116.239 -0.639 1
1 400 . 5 0 1 A 42 42 LEU H H 42 8.371 8.003 0.368 1
1 401 . 5 0 1 A 42 42 LEU HA H 42 4.340 4.227 0.113 1
1 410 . 5 0 1 A 42 42 LEU CA C 42 55.342 57.100 -1.758 1
1 411 . 5 0 1 A 42 42 LEU CB C 42 43.358 41.709 1.649 1
1 415 . 5 0 1 A 42 42 LEU N N 42 116.770 121.061 -4.291 1
1 416 . 5 0 1 A 43 43 ASN H H 43 7.025 8.399 -1.374 1
1 417 . 5 0 1 A 43 43 ASN HA H 43 4.767 4.834 -0.067 1
1 422 . 5 0 1 A 43 43 ASN CA C 43 51.715 52.112 -0.397 1
1 423 . 5 0 1 A 43 43 ASN CB C 43 41.011 39.569 1.442 1
1 424 . 5 0 1 A 43 43 ASN N N 43 111.360 114.082 -2.722 1
1 426 . 5 0 1 A 44 44 ARG H H 44 8.735 9.223 -0.488 1
1 427 . 5 0 1 A 44 44 ARG HA H 44 3.868 4.143 -0.275 1
1 431 . 5 0 1 A 44 44 ARG CA C 44 60.307 58.216 2.091 1
1 432 . 5 0 1 A 44 44 ARG CB C 44 30.895 29.881 1.014 1
1 433 . 5 0 1 A 44 44 ARG N N 44 118.870 121.270 -2.400 1
1 434 . 5 0 1 A 45 45 ALA H H 45 8.381 8.111 0.270 1
1 435 . 5 0 1 A 45 45 ALA HA H 45 3.814 4.050 -0.236 1
1 439 . 5 0 1 A 45 45 ALA CA C 45 56.384 55.166 1.218 1
1 440 . 5 0 1 A 45 45 ALA CB C 45 17.800 18.168 -0.368 1
1 441 . 5 0 1 A 45 45 ALA N N 45 125.360 121.351 4.009 1
1 442 . 5 0 1 A 46 46 CYS H H 46 8.027 7.967 0.060 1
1 443 . 5 0 1 A 46 46 CYS HA H 46 4.168 4.114 0.054 1
1 446 . 5 0 1 A 46 46 CYS CA C 46 59.006 59.382 -0.376 1
1 447 . 5 0 1 A 46 46 CYS CB C 46 33.410 41.557 -8.147 1
1 448 . 5 0 1 A 46 46 CYS N N 46 117.400 117.131 0.269 1
1 449 . 5 0 1 A 47 47 ALA H H 47 7.144 7.597 -0.453 1
1 450 . 5 0 1 A 47 47 ALA HA H 47 3.837 4.011 -0.174 1
1 454 . 5 0 1 A 47 47 ALA CA C 47 55.130 54.953 0.177 1
1 455 . 5 0 1 A 47 47 ALA CB C 47 19.618 18.612 1.006 1
1 456 . 5 0 1 A 47 47 ALA N N 47 123.130 122.404 0.726 1
1 457 . 5 0 1 A 48 48 TYR H H 48 8.841 8.638 0.203 1
1 458 . 5 0 1 A 48 48 TYR HA H 48 3.896 4.266 -0.370 1
1 462 . 5 0 1 A 48 48 TYR CA C 48 63.769 62.042 1.727 1
1 463 . 5 0 1 A 48 48 TYR CB C 48 40.446 38.209 2.237 1
1 466 . 5 0 1 A 48 48 TYR N N 48 120.860 116.670 4.190 1
1 467 . 5 0 1 A 49 49 ARG H H 49 8.501 8.570 -0.069 1
1 468 . 5 0 1 A 49 49 ARG HA H 49 3.840 3.970 -0.130 1
1 470 . 5 0 1 A 49 49 ARG CA C 49 60.324 59.299 1.025 1
1 471 . 5 0 1 A 49 49 ARG CB C 49 29.890 29.808 0.082 1
1 472 . 5 0 1 A 49 49 ARG N N 49 117.110 120.944 -3.834 1
1 473 . 5 0 1 A 50 50 LYS H H 50 7.817 7.731 0.086 1
1 474 . 5 0 1 A 50 50 LYS HA H 50 3.965 4.184 -0.219 1
1 477 . 5 0 1 A 50 50 LYS CA C 50 61.111 59.000 2.111 1
1 478 . 5 0 1 A 50 50 LYS CB C 50 33.272 31.733 1.539 1
1 479 . 5 0 1 A 50 50 LYS N N 50 119.510 119.482 0.028 1
1 480 . 5 0 1 A 51 51 MET H H 51 7.934 7.991 -0.057 1
1 481 . 5 0 1 A 51 51 MET HA H 51 4.199 4.146 0.053 1
1 484 . 5 0 1 A 51 51 MET CA C 51 60.407 58.487 1.920 1
1 485 . 5 0 1 A 51 51 MET CB C 51 33.492 32.023 1.469 1
1 487 . 5 0 1 A 51 51 MET N N 51 119.740 118.642 1.098 1
1 488 . 5 0 1 A 52 52 CYS H H 52 8.545 8.263 0.282 1
1 489 . 5 0 1 A 52 52 CYS HA H 52 4.018 4.458 -0.440 1
1 492 . 5 0 1 A 52 52 CYS CA C 52 60.109 59.016 1.093 1
1 493 . 5 0 1 A 52 52 CYS CB C 52 40.790 42.010 -1.220 1
1 494 . 5 0 1 A 52 52 CYS N N 52 119.160 117.618 1.542 1
1 495 . 5 0 1 A 53 53 ALA H H 53 7.626 8.140 -0.514 1
1 496 . 5 0 1 A 53 53 ALA HA H 53 4.182 4.350 -0.168 1
1 500 . 5 0 1 A 53 53 ALA CA C 53 54.149 54.743 -0.594 1
1 501 . 5 0 1 A 53 53 ALA CB C 53 18.492 19.165 -0.673 1
1 502 . 5 0 1 A 53 53 ALA N N 53 122.360 122.901 -0.541 1
1 503 . 5 0 1 A 54 54 THR H H 54 7.041 8.221 -1.180 1
1 504 . 5 0 1 A 54 54 THR HA H 54 4.180 4.731 -0.551 1
1 509 . 5 0 1 A 54 54 THR CA C 54 63.143 63.538 -0.395 1
1 510 . 5 0 1 A 54 54 THR CB C 54 71.301 71.420 -0.119 1
1 512 . 5 0 1 A 54 54 THR N N 54 107.780 110.029 -2.249 1
1 513 . 5 0 1 A 55 55 ASN H H 55 8.071 7.915 0.156 1
1 514 . 5 0 1 A 55 55 ASN HA H 55 4.409 5.122 -0.713 1
1 518 . 5 0 1 A 55 55 ASN CA C 55 55.475 52.514 2.961 1
1 519 . 5 0 1 A 55 55 ASN CB C 55 38.226 40.758 -2.532 1
1 520 . 5 0 1 A 55 55 ASN N N 55 114.220 115.214 -0.994 1
1 522 . 5 0 1 A 56 56 ASN H H 56 7.751 8.714 -0.963 1
1 523 . 5 0 1 A 56 56 ASN HA H 56 4.598 4.804 -0.206 1
1 528 . 5 0 1 A 56 56 ASN CA C 56 53.301 54.507 -1.206 1
1 529 . 5 0 1 A 56 56 ASN CB C 56 38.408 39.510 -1.102 1
1 530 . 5 0 1 A 56 56 ASN N N 56 117.400 116.662 0.738 1
1 532 . 5 0 1 A 57 57 LEU H H 57 8.623 8.159 0.464 1
1 533 . 5 0 1 A 57 57 LEU HA H 57 3.783 4.040 -0.257 1
1 536 . 5 0 1 A 57 57 LEU CA C 57 58.796 57.487 1.309 1
1 537 . 5 0 1 A 57 57 LEU CB C 57 42.709 41.665 1.044 1
1 538 . 5 0 1 A 57 57 LEU N N 57 127.190 120.752 6.438 1
1 539 . 5 0 1 A 58 58 GLU H H 58 8.353 8.711 -0.358 1
1 540 . 5 0 1 A 58 58 GLU HA H 58 3.792 4.103 -0.311 1
1 543 . 5 0 1 A 58 58 GLU CA C 58 60.263 58.919 1.344 1
1 544 . 5 0 1 A 58 58 GLU CB C 58 27.565 28.397 -0.832 1
1 546 . 5 0 1 A 58 58 GLU N N 58 117.370 117.397 -0.027 1
1 547 . 5 0 1 A 59 59 GLN H H 59 7.434 7.968 -0.534 1
1 548 . 5 0 1 A 59 59 GLN HA H 59 3.850 4.006 -0.156 1
1 553 . 5 0 1 A 59 59 GLN CA C 59 58.858 58.654 0.204 1
1 554 . 5 0 1 A 59 59 GLN CB C 59 28.858 28.520 0.338 1
1 556 . 5 0 1 A 59 59 GLN N N 59 119.730 119.086 0.644 1
1 558 . 5 0 1 A 60 60 ALA H H 60 8.043 7.761 0.282 1
1 559 . 5 0 1 A 60 60 ALA HA H 60 4.090 4.060 0.030 1
1 563 . 5 0 1 A 60 60 ALA CA C 60 55.496 55.071 0.425 1
1 564 . 5 0 1 A 60 60 ALA CB C 60 19.168 18.784 0.384 1
1 565 . 5 0 1 A 60 60 ALA N N 60 124.010 121.562 2.448 1
1 566 . 5 0 1 A 61 61 MET H H 61 8.690 8.359 0.331 1
1 567 . 5 0 1 A 61 61 MET HA H 61 4.240 3.801 0.439 1
1 571 . 5 0 1 A 61 61 MET CA C 61 59.964 57.969 1.995 1
1 572 . 5 0 1 A 61 61 MET CB C 61 34.709 32.217 2.492 1
1 574 . 5 0 1 A 61 61 MET N N 61 114.840 117.049 -2.209 1
1 575 . 5 0 1 A 62 62 SER H H 62 7.697 8.630 -0.933 1
1 576 . 5 0 1 A 62 62 SER HA H 62 4.527 3.943 0.584 1
1 579 . 5 0 1 A 62 62 SER CA C 62 61.590 61.336 0.254 1
1 580 . 5 0 1 A 62 62 SER CB C 62 63.726 62.466 1.260 1
1 581 . 5 0 1 A 62 62 SER N N 62 115.290 114.448 0.842 1
1 582 . 5 0 1 A 63 63 VAL H H 63 6.876 7.704 -0.828 1
1 583 . 5 0 1 A 63 63 VAL HA H 63 3.366 3.585 -0.219 1
1 591 . 5 0 1 A 63 63 VAL CA C 63 65.247 66.483 -1.236 1
1 592 . 5 0 1 A 63 63 VAL CB C 63 32.621 31.470 1.151 1
1 595 . 5 0 1 A 63 63 VAL N N 63 120.720 122.829 -2.109 1
1 596 . 5 0 1 A 64 64 TYR H H 64 6.677 7.931 -1.254 1
1 597 . 5 0 1 A 64 64 TYR HA H 64 4.274 4.339 -0.065 1
1 602 . 5 0 1 A 64 64 TYR CA C 64 57.735 60.033 -2.298 1
1 603 . 5 0 1 A 64 64 TYR CB C 64 42.007 39.050 2.957 1
1 606 . 5 0 1 A 64 64 TYR N N 64 115.320 118.988 -3.668 1
1 607 . 5 0 1 A 65 65 PHE H H 65 8.052 7.680 0.372 1
1 608 . 5 0 1 A 65 65 PHE HA H 65 5.160 4.802 0.358 1
1 614 . 5 0 1 A 65 65 PHE CA C 65 56.486 56.097 0.389 1
1 615 . 5 0 1 A 65 65 PHE CB C 65 43.296 40.410 2.886 1
1 619 . 5 0 1 A 65 65 PHE N N 65 117.410 117.341 0.069 1
1 620 . 5 0 1 A 66 66 THR H H 66 8.302 8.733 -0.431 1
1 621 . 5 0 1 A 66 66 THR HA H 66 4.657 4.999 -0.342 1
1 626 . 5 0 1 A 66 66 THR CA C 66 60.932 60.252 0.680 1
1 627 . 5 0 1 A 66 66 THR CB C 66 71.138 71.316 -0.178 1
1 629 . 5 0 1 A 66 66 THR N N 66 111.430 112.583 -1.153 1
1 630 . 5 0 1 A 67 67 ASN H H 67 9.025 9.128 -0.103 1
1 631 . 5 0 1 A 67 67 ASN HA H 67 4.223 4.467 -0.244 1
1 636 . 5 0 1 A 67 67 ASN CA C 67 57.459 57.120 0.339 1
1 637 . 5 0 1 A 67 67 ASN CB C 67 38.180 38.787 -0.607 1
1 638 . 5 0 1 A 67 67 ASN N N 67 120.120 120.044 0.076 1
1 640 . 5 0 1 A 68 68 GLU H H 68 8.403 8.442 -0.039 1
1 641 . 5 0 1 A 68 68 GLU HA H 68 3.956 4.084 -0.128 1
1 645 . 5 0 1 A 68 68 GLU CA C 68 59.700 59.180 0.520 1
1 646 . 5 0 1 A 68 68 GLU CB C 68 28.105 28.985 -0.880 1
1 648 . 5 0 1 A 68 68 GLU N N 68 120.220 117.564 2.656 1
1 649 . 5 0 1 A 69 69 GLN H H 69 7.411 8.069 -0.658 1
1 650 . 5 0 1 A 69 69 GLN HA H 69 3.822 4.003 -0.181 1
1 657 . 5 0 1 A 69 69 GLN CA C 69 58.952 58.686 0.266 1
1 658 . 5 0 1 A 69 69 GLN CB C 69 28.418 28.014 0.404 1
1 659 . 5 0 1 A 69 69 GLN N N 69 120.940 119.187 1.753 1
1 661 . 5 0 1 A 70 70 ILE H H 70 8.327 7.394 0.933 1
1 662 . 5 0 1 A 70 70 ILE HA H 70 3.036 3.548 -0.512 1
1 671 . 5 0 1 A 70 70 ILE CA C 70 66.926 61.916 5.010 1
1 672 . 5 0 1 A 70 70 ILE CB C 70 38.603 37.653 0.950 1
1 676 . 5 0 1 A 70 70 ILE N N 70 120.560 119.740 0.820 1
1 677 . 5 0 1 A 71 71 LYS H H 71 7.554 8.077 -0.523 1
1 678 . 5 0 1 A 71 71 LYS HA H 71 3.909 4.179 -0.270 1
1 681 . 5 0 1 A 71 71 LYS CA C 71 60.156 59.811 0.345 1
1 682 . 5 0 1 A 71 71 LYS CB C 71 32.294 32.440 -0.146 1
1 683 . 5 0 1 A 71 71 LYS N N 71 121.040 121.795 -0.755 1
1 684 . 5 0 1 A 72 72 GLU H H 72 7.885 8.125 -0.240 1
1 685 . 5 0 1 A 72 72 GLU HA H 72 3.989 4.043 -0.054 1
1 688 . 5 0 1 A 72 72 GLU CA C 72 60.266 59.281 0.985 1
1 689 . 5 0 1 A 72 72 GLU CB C 72 30.213 29.340 0.873 1
1 691 . 5 0 1 A 72 72 GLU N N 72 119.670 118.393 1.277 1
1 692 . 5 0 1 A 73 73 ILE H H 73 8.193 7.814 0.379 1
1 693 . 5 0 1 A 73 73 ILE HA H 73 3.312 3.905 -0.593 1
1 703 . 5 0 1 A 73 73 ILE CA C 73 66.520 63.413 3.107 1
1 704 . 5 0 1 A 73 73 ILE CB C 73 38.344 37.374 0.970 1
1 708 . 5 0 1 A 73 73 ILE N N 73 121.390 120.224 1.166 1
1 709 . 5 0 1 A 74 74 HIS H H 74 8.624 7.745 0.879 1
1 710 . 5 0 1 A 74 74 HIS HA H 74 4.174 4.151 0.023 1
1 714 . 5 0 1 A 74 74 HIS CA C 74 59.179 59.776 -0.597 1
1 715 . 5 0 1 A 74 74 HIS CB C 74 28.498 29.799 -1.301 1
1 718 . 5 0 1 A 74 74 HIS N N 74 119.430 120.831 -1.401 1
1 719 . 5 0 1 A 75 75 ASP H H 75 8.824 8.208 0.616 1
1 720 . 5 0 1 A 75 75 ASP HA H 75 4.276 4.336 -0.060 1
1 722 . 5 0 1 A 75 75 ASP CA C 75 56.474 57.476 -1.002 1
1 723 . 5 0 1 A 75 75 ASP CB C 75 38.100 41.263 -3.163 1
1 724 . 5 0 1 A 75 75 ASP N N 75 119.980 119.957 0.023 1
1 725 . 5 0 1 A 76 76 ALA H H 76 8.064 8.629 -0.565 1
1 726 . 5 0 1 A 76 76 ALA HA H 76 4.012 4.171 -0.159 1
1 730 . 5 0 1 A 76 76 ALA CA C 76 54.988 54.873 0.115 1
1 731 . 5 0 1 A 76 76 ALA CB C 76 20.747 18.379 2.368 1
1 732 . 5 0 1 A 76 76 ALA N N 76 125.030 120.836 4.194 1
1 733 . 5 0 1 A 77 77 ALA H H 77 8.659 7.782 0.877 1
1 734 . 5 0 1 A 77 77 ALA HA H 77 3.613 4.956 -1.343 1
1 738 . 5 0 1 A 77 77 ALA CA C 77 55.772 53.373 2.399 1
1 739 . 5 0 1 A 77 77 ALA CB C 77 18.217 19.204 -0.987 1
1 740 . 5 0 1 A 77 77 ALA N N 77 122.060 119.350 2.710 1
1 741 . 5 0 1 A 78 78 THR H H 78 7.651 7.589 0.062 1
1 742 . 5 0 1 A 78 78 THR HA H 78 3.762 4.027 -0.265 1
1 747 . 5 0 1 A 78 78 THR CA C 78 66.360 65.378 0.982 1
1 748 . 5 0 1 A 78 78 THR CB C 78 68.873 69.199 -0.326 1
1 750 . 5 0 1 A 78 78 THR N N 78 113.580 113.134 0.446 1
1 751 . 5 0 1 A 79 79 ALA H H 79 7.291 7.823 -0.532 1
1 752 . 5 0 1 A 79 79 ALA HA H 79 4.022 4.244 -0.222 1
1 756 . 5 0 1 A 79 79 ALA CA C 79 54.713 51.731 2.982 1
1 757 . 5 0 1 A 79 79 ALA CB C 79 18.695 18.731 -0.036 1
1 758 . 5 0 1 A 79 79 ALA N N 79 123.330 118.736 4.594 1
1 759 . 5 0 1 A 80 80 CYS H H 80 7.781 8.040 -0.259 1
1 760 . 5 0 1 A 80 80 CYS HA H 80 4.295 5.776 -1.481 1
1 762 . 5 0 1 A 80 80 CYS CA C 80 57.577 57.279 0.298 1
1 763 . 5 0 1 A 80 80 CYS CB C 80 43.192 40.146 3.046 1
1 764 . 5 0 1 A 80 80 CYS N N 80 115.190 115.186 0.004 1
1 765 . 5 0 1 A 81 81 ASP H H 81 7.323 7.678 -0.355 1
1 766 . 5 0 1 A 81 81 ASP HA H 81 4.743 5.165 -0.422 1
1 769 . 5 0 1 A 81 81 ASP CA C 81 52.419 51.473 0.946 1
1 770 . 5 0 1 A 81 81 ASP CB C 81 40.376 41.648 -1.272 1
1 771 . 5 0 1 A 81 81 ASP N N 81 121.570 121.515 0.055 1
1 772 . 5 0 1 A 82 82 PRO HA H 82 4.312 4.582 -0.270 1
1 777 . 5 0 1 A 82 82 PRO CA C 82 64.427 63.951 0.476 1
1 778 . 5 0 1 A 82 82 PRO CB C 82 32.685 32.507 0.178 1
1 780 . 5 0 1 A 83 83 GLU H H 83 8.036 7.793 0.243 1
1 781 . 5 0 1 A 83 83 GLU HA H 83 4.126 4.313 -0.187 1
1 785 . 5 0 1 A 83 83 GLU CA C 83 56.523 56.521 0.002 1
1 786 . 5 0 1 A 83 83 GLU CB C 83 28.819 29.881 -1.062 1
1 788 . 5 0 1 A 83 83 GLU N N 83 118.550 117.496 1.054 1
1 789 . 5 0 1 A 84 84 ALA H H 84 7.695 7.960 -0.265 1
1 790 . 5 0 1 A 84 84 ALA HA H 84 4.083 4.187 -0.104 1
1 794 . 5 0 1 A 84 84 ALA CA C 84 52.963 52.748 0.215 1
1 795 . 5 0 1 A 84 84 ALA CB C 84 19.516 17.537 1.979 1
1 796 . 5 0 1 A 84 84 ALA N N 84 123.730 121.084 2.646 1
1 797 . 5 0 1 A 85 85 HIS H H 85 8.078 8.669 -0.591 1
1 798 . 5 0 1 A 85 85 HIS HA H 85 4.529 4.154 0.375 1
1 803 . 5 0 1 A 85 85 HIS CA C 85 55.480 59.664 -4.184 1
1 804 . 5 0 1 A 85 85 HIS CB C 85 29.115 30.796 -1.681 1
1 807 . 5 0 1 A 85 85 HIS N N 85 117.030 120.230 -3.200 1
1 808 . 5 0 1 A 86 86 HIS H H 86 8.352 8.316 0.036 1
1 809 . 5 0 1 A 86 86 HIS HA H 86 4.596 4.667 -0.071 1
1 814 . 5 0 1 A 86 86 HIS CA C 86 55.496 56.078 -0.582 1
1 815 . 5 0 1 A 86 86 HIS CB C 86 29.414 31.841 -2.427 1
1 818 . 5 0 1 A 86 86 HIS N N 86 120.170 112.885 7.285 1
1 819 . 5 0 1 A 87 87 GLU H H 87 8.300 8.842 -0.542 1
1 820 . 5 0 1 A 87 87 GLU HA H 87 4.194 4.363 -0.169 1
1 823 . 5 0 1 A 87 87 GLU CA C 87 56.264 58.787 -2.523 1
1 824 . 5 0 1 A 87 87 GLU CB C 87 29.329 28.622 0.707 1
1 826 . 5 0 1 A 87 87 GLU N N 87 121.850 118.269 3.581 1
1 827 . 5 0 1 A 88 88 HIS H H 88 8.524 8.558 -0.034 1
1 828 . 5 0 1 A 88 88 HIS HA H 88 4.597 4.851 -0.254 1
1 832 . 5 0 1 A 88 88 HIS CA C 88 55.621 54.768 0.853 1
1 833 . 5 0 1 A 88 88 HIS CB C 88 29.150 30.001 -0.851 1
1 836 . 5 0 1 A 88 88 HIS N N 88 119.750 121.693 -1.943 1
1 837 . 5 0 1 A 89 89 ASP H H 89 8.343 8.752 -0.409 1
1 838 . 5 0 1 A 89 89 ASP HA H 89 4.579 5.187 -0.608 1
1 840 . 5 0 1 A 89 89 ASP CA C 89 53.805 52.646 1.159 1
1 841 . 5 0 1 A 89 89 ASP CB C 89 38.560 41.895 -3.335 1
1 842 . 5 0 1 A 89 89 ASP N N 89 120.950 121.372 -0.422 1
1 9 . 6 0 1 A 2 2 HIS H H 2 8.902 8.214 0.688 1
1 10 . 6 0 1 A 2 2 HIS HA H 2 4.665 4.058 0.607 1
1 14 . 6 0 1 A 2 2 HIS CA C 2 55.744 56.917 -1.173 1
1 15 . 6 0 1 A 2 2 HIS CB C 2 29.481 26.844 2.637 1
1 18 . 6 0 1 A 2 2 HIS N N 2 122.160 116.057 6.103 1
1 19 . 6 0 1 A 3 3 GLN H H 3 8.624 7.951 0.673 1
1 20 . 6 0 1 A 3 3 GLN HA H 3 4.265 4.506 -0.241 1
1 24 . 6 0 1 A 3 3 GLN CA C 3 55.961 56.729 -0.768 1
1 25 . 6 0 1 A 3 3 GLN CB C 3 29.727 32.032 -2.305 1
1 27 . 6 0 1 A 3 3 GLN N N 3 123.710 117.482 6.228 1
1 29 . 6 0 1 A 4 4 GLU H H 4 8.499 8.018 0.481 1
1 30 . 6 0 1 A 4 4 GLU HA H 4 4.250 4.130 0.120 1
1 33 . 6 0 1 A 4 4 GLU CA C 4 56.888 59.255 -2.367 1
1 34 . 6 0 1 A 4 4 GLU CB C 4 29.316 29.712 -0.396 1
1 36 . 6 0 1 A 4 4 GLU N N 4 123.160 118.059 5.101 1
1 37 . 6 0 1 A 5 5 LEU H H 5 8.464 8.047 0.417 1
1 38 . 6 0 1 A 5 5 LEU HA H 5 4.004 4.050 -0.046 1
1 50 . 6 0 1 A 5 5 LEU N N 5 123.070 120.412 2.658 1
1 51 . 6 0 1 A 6 6 CYS H H 6 7.980 8.090 -0.110 1
1 52 . 6 0 1 A 6 6 CYS HA H 6 4.565 4.788 -0.223 1
1 55 . 6 0 1 A 6 6 CYS N N 6 113.540 117.842 -4.302 1
1 56 . 6 0 1 A 7 7 THR H H 7 7.639 7.922 -0.283 1
1 57 . 6 0 1 A 7 7 THR HA H 7 4.344 3.970 0.374 1
1 62 . 6 0 1 A 7 7 THR CA C 7 61.772 66.073 -4.301 1
1 63 . 6 0 1 A 7 7 THR CB C 7 69.825 69.041 0.784 1
1 65 . 6 0 1 A 7 7 THR N N 7 108.740 117.830 -9.090 1
1 66 . 6 0 1 A 8 8 LYS H H 8 7.380 7.836 -0.456 1
1 67 . 6 0 1 A 8 8 LYS HA H 8 4.174 4.069 0.105 1
1 72 . 6 0 1 A 8 8 LYS CA C 8 56.632 59.570 -2.938 1
1 73 . 6 0 1 A 8 8 LYS CB C 8 34.166 31.739 2.427 1
1 75 . 6 0 1 A 8 8 LYS N N 8 122.500 120.299 2.201 1
1 76 . 6 0 1 A 9 9 GLY H H 9 8.554 8.191 0.363 1
1 77 . 6 0 1 A 9 9 GLY HA2 H 9 4.027 3.854 0.173 1
1 78 . 6 0 1 A 9 9 GLY HA3 H 9 3.868 3.858 0.010 1
1 79 . 6 0 1 A 9 9 GLY CA C 9 45.101 46.503 -1.402 1
1 80 . 6 0 1 A 9 9 GLY N N 9 108.960 106.938 2.022 1
1 81 . 6 0 1 A 10 10 ASP H H 10 8.455 8.023 0.432 1
1 82 . 6 0 1 A 10 10 ASP HA H 10 4.146 4.400 -0.254 1
1 84 . 6 0 1 A 10 10 ASP CA C 10 57.568 57.375 0.193 1
1 85 . 6 0 1 A 10 10 ASP CB C 10 38.723 41.449 -2.726 1
1 86 . 6 0 1 A 10 10 ASP N N 10 118.550 120.846 -2.296 1
1 87 . 6 0 1 A 11 11 ASP H H 11 8.538 8.316 0.222 1
1 88 . 6 0 1 A 11 11 ASP HA H 11 4.262 4.306 -0.044 1
1 90 . 6 0 1 A 11 11 ASP CA C 11 56.696 57.904 -1.208 1
1 91 . 6 0 1 A 11 11 ASP CB C 11 37.812 41.941 -4.129 1
1 92 . 6 0 1 A 11 11 ASP N N 11 118.150 119.548 -1.398 1
1 93 . 6 0 1 A 12 12 ALA H H 12 7.935 7.683 0.252 1
1 94 . 6 0 1 A 12 12 ALA HA H 12 4.052 4.100 -0.048 1
1 98 . 6 0 1 A 12 12 ALA CA C 12 55.104 55.054 0.050 1
1 99 . 6 0 1 A 12 12 ALA CB C 12 19.122 18.107 1.015 1
1 100 . 6 0 1 A 12 12 ALA N N 12 123.880 121.944 1.936 1
1 101 . 6 0 1 A 13 13 LEU H H 13 8.367 8.339 0.028 1
1 102 . 6 0 1 A 13 13 LEU HA H 13 4.524 4.076 0.448 1
1 104 . 6 0 1 A 13 13 LEU CA C 13 54.138 57.039 -2.901 1
1 105 . 6 0 1 A 13 13 LEU CB C 13 39.063 41.396 -2.333 1
1 106 . 6 0 1 A 13 13 LEU N N 13 120.800 119.709 1.091 1
1 107 . 6 0 1 A 14 14 VAL H H 14 8.127 7.727 0.400 1
1 108 . 6 0 1 A 14 14 VAL HA H 14 3.354 3.544 -0.190 1
1 116 . 6 0 1 A 14 14 VAL CA C 14 67.895 66.521 1.374 1
1 117 . 6 0 1 A 14 14 VAL CB C 14 32.471 31.721 0.750 1
1 120 . 6 0 1 A 14 14 VAL N N 14 121.290 118.364 2.926 1
1 121 . 6 0 1 A 15 15 THR H H 15 7.813 8.004 -0.191 1
1 122 . 6 0 1 A 15 15 THR HA H 15 3.824 3.810 0.014 1
1 127 . 6 0 1 A 15 15 THR CA C 15 66.838 67.199 -0.361 1
1 128 . 6 0 1 A 15 15 THR CB C 15 69.152 68.703 0.449 1
1 130 . 6 0 1 A 15 15 THR N N 15 115.770 116.217 -0.447 1
1 131 . 6 0 1 A 16 16 GLU H H 16 8.201 8.771 -0.570 1
1 132 . 6 0 1 A 16 16 GLU HA H 16 4.134 3.976 0.158 1
1 136 . 6 0 1 A 16 16 GLU CA C 16 60.219 59.396 0.823 1
1 137 . 6 0 1 A 16 16 GLU CB C 16 27.443 29.252 -1.809 1
1 139 . 6 0 1 A 16 16 GLU N N 16 123.330 119.731 3.599 1
1 140 . 6 0 1 A 17 17 LEU H H 17 8.637 7.959 0.678 1
1 141 . 6 0 1 A 17 17 LEU HA H 17 3.779 3.974 -0.195 1
1 145 . 6 0 1 A 17 17 LEU CA C 17 58.646 58.193 0.453 1
1 146 . 6 0 1 A 17 17 LEU CB C 17 41.289 41.652 -0.363 1
1 147 . 6 0 1 A 17 17 LEU N N 17 119.350 119.051 0.299 1
1 148 . 6 0 1 A 18 18 GLU H H 18 7.903 8.467 -0.564 1
1 149 . 6 0 1 A 18 18 GLU HA H 18 4.048 3.905 0.143 1
1 153 . 6 0 1 A 18 18 GLU CA C 18 59.140 59.566 -0.426 1
1 154 . 6 0 1 A 18 18 GLU CB C 18 27.587 29.056 -1.469 1
1 156 . 6 0 1 A 18 18 GLU N N 18 122.730 118.670 4.060 1
1 157 . 6 0 1 A 19 19 CYS H H 19 7.231 7.602 -0.371 1
1 158 . 6 0 1 A 19 19 CYS HA H 19 4.135 4.742 -0.607 1
1 161 . 6 0 1 A 19 19 CYS CA C 19 60.041 56.522 3.519 1
1 162 . 6 0 1 A 19 19 CYS CB C 19 39.419 42.714 -3.295 1
1 163 . 6 0 1 A 19 19 CYS N N 19 120.230 115.688 4.542 1
1 164 . 6 0 1 A 20 20 ILE H H 20 8.433 7.569 0.864 1
1 165 . 6 0 1 A 20 20 ILE HA H 20 3.288 3.960 -0.672 1
1 174 . 6 0 1 A 20 20 ILE CA C 20 66.135 63.705 2.430 1
1 175 . 6 0 1 A 20 20 ILE CB C 20 39.423 38.625 0.798 1
1 179 . 6 0 1 A 20 20 ILE N N 20 122.030 120.020 2.010 1
1 180 . 6 0 1 A 21 21 ARG H H 21 7.644 7.787 -0.143 1
1 181 . 6 0 1 A 21 21 ARG HA H 21 3.823 4.407 -0.584 1
1 183 . 6 0 1 A 21 21 ARG CA C 21 59.557 55.828 3.729 1
1 184 . 6 0 1 A 21 21 ARG CB C 21 30.680 30.692 -0.012 1
1 187 . 6 0 1 A 21 21 ARG N N 21 119.330 118.895 0.435 1
1 188 . 6 0 1 A 22 22 LEU H H 22 6.877 7.684 -0.807 1
1 189 . 6 0 1 A 22 22 LEU HA H 22 4.111 4.204 -0.093 1
1 199 . 6 0 1 A 22 22 LEU CA C 22 56.458 54.220 2.238 1
1 200 . 6 0 1 A 22 22 LEU CB C 22 42.824 41.077 1.747 1
1 204 . 6 0 1 A 22 22 LEU N N 22 114.780 115.641 -0.861 1
1 205 . 6 0 1 A 23 23 ARG H H 23 7.570 8.098 -0.528 1
1 206 . 6 0 1 A 23 23 ARG HA H 23 4.384 3.975 0.409 1
1 212 . 6 0 1 A 23 23 ARG CA C 23 56.733 57.920 -1.187 1
1 213 . 6 0 1 A 23 23 ARG CB C 23 33.160 28.173 4.987 1
1 216 . 6 0 1 A 23 23 ARG N N 23 117.100 113.534 3.566 1
1 218 . 6 0 1 A 24 24 ILE H H 24 7.041 8.437 -1.396 1
1 219 . 6 0 1 A 24 24 ILE HA H 24 4.653 3.958 0.695 1
1 229 . 6 0 1 A 24 24 ILE CA C 24 60.889 63.663 -2.774 1
1 230 . 6 0 1 A 24 24 ILE CB C 24 40.480 36.704 3.776 1
1 234 . 6 0 1 A 24 24 ILE N N 24 112.510 117.653 -5.143 1
1 235 . 6 0 1 A 25 25 SER H H 25 8.441 8.441 0.000 1
1 236 . 6 0 1 A 25 25 SER HA H 25 4.572 4.724 -0.152 1
1 239 . 6 0 1 A 25 25 SER CA C 25 58.047 59.426 -1.379 1
1 240 . 6 0 1 A 25 25 SER CB C 25 63.703 64.989 -1.286 1
1 241 . 6 0 1 A 25 25 SER N N 25 116.820 121.040 -4.220 1
1 242 . 6 0 1 A 26 26 PRO HA H 26 4.457 4.474 -0.017 1
1 248 . 6 0 1 A 26 26 PRO CA C 26 66.703 62.406 4.297 1
1 249 . 6 0 1 A 26 26 PRO CB C 26 32.374 32.813 -0.439 1
1 252 . 6 0 1 A 27 27 GLU H H 27 8.543 8.621 -0.078 1
1 253 . 6 0 1 A 27 27 GLU HA H 27 4.170 4.060 0.110 1
1 257 . 6 0 1 A 27 27 GLU CA C 27 60.003 59.016 0.987 1
1 258 . 6 0 1 A 27 27 GLU CB C 27 27.944 29.060 -1.116 1
1 260 . 6 0 1 A 27 27 GLU N N 27 117.750 121.665 -3.915 1
1 261 . 6 0 1 A 28 28 THR H H 28 8.099 7.885 0.214 1
1 262 . 6 0 1 A 28 28 THR HA H 28 4.178 3.526 0.652 1
1 267 . 6 0 1 A 28 28 THR CA C 28 67.201 65.805 1.396 1
1 268 . 6 0 1 A 28 28 THR CB C 28 67.314 69.328 -2.014 1
1 270 . 6 0 1 A 28 28 THR N N 28 122.040 115.403 6.637 1
1 271 . 6 0 1 A 29 29 ASN H H 29 8.621 7.997 0.624 1
1 272 . 6 0 1 A 29 29 ASN HA H 29 4.522 4.499 0.023 1
1 276 . 6 0 1 A 29 29 ASN CA C 29 58.319 56.265 2.054 1
1 277 . 6 0 1 A 29 29 ASN CB C 29 39.553 37.905 1.648 1
1 278 . 6 0 1 A 29 29 ASN N N 29 122.850 118.611 4.239 1
1 280 . 6 0 1 A 30 30 ALA H H 30 8.185 8.069 0.116 1
1 281 . 6 0 1 A 30 30 ALA HA H 30 4.141 3.926 0.215 1
1 285 . 6 0 1 A 30 30 ALA CA C 30 55.716 54.593 1.123 1
1 286 . 6 0 1 A 30 30 ALA CB C 30 17.815 18.220 -0.405 1
1 287 . 6 0 1 A 30 30 ALA N N 30 123.330 122.658 0.672 1
1 288 . 6 0 1 A 31 31 ALA H H 31 7.852 7.890 -0.038 1
1 289 . 6 0 1 A 31 31 ALA HA H 31 4.182 3.530 0.652 1
1 293 . 6 0 1 A 31 31 ALA CA C 31 55.395 54.550 0.845 1
1 294 . 6 0 1 A 31 31 ALA CB C 31 18.712 18.337 0.375 1
1 295 . 6 0 1 A 31 31 ALA N N 31 122.920 119.716 3.204 1
1 296 . 6 0 1 A 32 32 PHE H H 32 8.497 7.283 1.214 1
1 297 . 6 0 1 A 32 32 PHE HA H 32 4.300 4.294 0.006 1
1 303 . 6 0 1 A 32 32 PHE CA C 32 59.972 61.470 -1.498 1
1 304 . 6 0 1 A 32 32 PHE CB C 32 39.152 38.065 1.087 1
1 308 . 6 0 1 A 32 32 PHE N N 32 123.980 116.298 7.682 1
1 309 . 6 0 1 A 33 33 ASP H H 33 8.380 8.032 0.348 1
1 310 . 6 0 1 A 33 33 ASP HA H 33 4.298 4.271 0.027 1
1 313 . 6 0 1 A 33 33 ASP CA C 33 57.394 57.610 -0.216 1
1 314 . 6 0 1 A 33 33 ASP CB C 33 38.380 41.675 -3.295 1
1 315 . 6 0 1 A 33 33 ASP N N 33 119.640 120.163 -0.523 1
1 316 . 6 0 1 A 34 34 ASN H H 34 7.854 8.045 -0.191 1
1 317 . 6 0 1 A 34 34 ASN HA H 34 4.410 4.375 0.035 1
1 321 . 6 0 1 A 34 34 ASN CA C 34 56.974 56.832 0.142 1
1 322 . 6 0 1 A 34 34 ASN CB C 34 38.740 39.656 -0.916 1
1 323 . 6 0 1 A 34 34 ASN N N 34 119.710 117.503 2.207 1
1 325 . 6 0 1 A 35 35 ALA H H 35 7.743 7.881 -0.138 1
1 326 . 6 0 1 A 35 35 ALA HA H 35 2.999 4.041 -1.042 1
1 330 . 6 0 1 A 35 35 ALA CA C 35 55.881 55.102 0.779 1
1 331 . 6 0 1 A 35 35 ALA CB C 35 17.360 18.447 -1.087 1
1 332 . 6 0 1 A 35 35 ALA N N 35 123.520 121.459 2.061 1
1 333 . 6 0 1 A 36 36 VAL H H 36 7.802 9.085 -1.283 1
1 334 . 6 0 1 A 36 36 VAL HA H 36 2.973 3.679 -0.706 1
1 342 . 6 0 1 A 36 36 VAL CA C 36 67.829 66.141 1.688 1
1 343 . 6 0 1 A 36 36 VAL CB C 36 32.410 31.340 1.070 1
1 346 . 6 0 1 A 36 36 VAL N N 36 115.430 118.372 -2.942 1
1 347 . 6 0 1 A 37 37 GLN H H 37 7.027 7.697 -0.670 1
1 348 . 6 0 1 A 37 37 GLN HA H 37 4.093 3.952 0.141 1
1 353 . 6 0 1 A 37 37 GLN CA C 37 59.039 59.016 0.023 1
1 354 . 6 0 1 A 37 37 GLN CB C 37 28.910 28.231 0.679 1
1 356 . 6 0 1 A 37 37 GLN N N 37 116.140 120.329 -4.189 1
1 358 . 6 0 1 A 38 38 GLN H H 38 8.443 7.768 0.675 1
1 359 . 6 0 1 A 38 38 GLN HA H 38 3.939 4.003 -0.064 1
1 365 . 6 0 1 A 38 38 GLN CA C 38 58.748 58.977 -0.229 1
1 366 . 6 0 1 A 38 38 GLN CB C 38 28.854 28.505 0.349 1
1 368 . 6 0 1 A 38 38 GLN N N 38 120.080 119.446 0.634 1
1 370 . 6 0 1 A 39 39 LEU H H 39 7.565 7.734 -0.169 1
1 371 . 6 0 1 A 39 39 LEU HA H 39 4.199 4.195 0.004 1
1 380 . 6 0 1 A 39 39 LEU CA C 39 54.901 56.166 -1.265 1
1 381 . 6 0 1 A 39 39 LEU CB C 39 42.208 42.350 -0.142 1
1 383 . 6 0 1 A 39 39 LEU N N 39 117.930 118.148 -0.218 1
1 384 . 6 0 1 A 40 40 ASN H H 40 7.976 8.045 -0.069 1
1 385 . 6 0 1 A 40 40 ASN HA H 40 4.313 4.698 -0.385 1
1 389 . 6 0 1 A 40 40 ASN CA C 40 54.625 53.953 0.672 1
1 390 . 6 0 1 A 40 40 ASN CB C 40 36.903 35.836 1.067 1
1 391 . 6 0 1 A 40 40 ASN N N 40 118.780 117.325 1.455 1
1 393 . 6 0 1 A 41 41 CYS H H 41 7.833 8.111 -0.278 1
1 394 . 6 0 1 A 41 41 CYS HA H 41 4.888 4.619 0.269 1
1 397 . 6 0 1 A 41 41 CYS CA C 41 55.148 56.270 -1.122 1
1 398 . 6 0 1 A 41 41 CYS CB C 41 42.078 42.643 -0.565 1
1 399 . 6 0 1 A 41 41 CYS N N 41 115.600 118.797 -3.197 1
1 400 . 6 0 1 A 42 42 LEU H H 42 8.371 7.873 0.498 1
1 401 . 6 0 1 A 42 42 LEU HA H 42 4.340 3.910 0.430 1
1 410 . 6 0 1 A 42 42 LEU CA C 42 55.342 56.392 -1.050 1
1 411 . 6 0 1 A 42 42 LEU CB C 42 43.358 40.137 3.221 1
1 415 . 6 0 1 A 42 42 LEU N N 42 116.770 119.337 -2.567 1
1 416 . 6 0 1 A 43 43 ASN H H 43 7.025 7.711 -0.686 1
1 417 . 6 0 1 A 43 43 ASN HA H 43 4.767 4.898 -0.131 1
1 422 . 6 0 1 A 43 43 ASN CA C 43 51.715 53.174 -1.459 1
1 423 . 6 0 1 A 43 43 ASN CB C 43 41.011 40.617 0.394 1
1 424 . 6 0 1 A 43 43 ASN N N 43 111.360 115.955 -4.595 1
1 426 . 6 0 1 A 44 44 ARG H H 44 8.735 8.854 -0.119 1
1 427 . 6 0 1 A 44 44 ARG HA H 44 3.868 4.034 -0.166 1
1 431 . 6 0 1 A 44 44 ARG CA C 44 60.307 59.198 1.109 1
1 432 . 6 0 1 A 44 44 ARG CB C 44 30.895 29.801 1.094 1
1 433 . 6 0 1 A 44 44 ARG N N 44 118.870 125.249 -6.379 1
1 434 . 6 0 1 A 45 45 ALA H H 45 8.381 8.178 0.203 1
1 435 . 6 0 1 A 45 45 ALA HA H 45 3.814 4.065 -0.251 1
1 439 . 6 0 1 A 45 45 ALA CA C 45 56.384 54.922 1.462 1
1 440 . 6 0 1 A 45 45 ALA CB C 45 17.800 17.825 -0.025 1
1 441 . 6 0 1 A 45 45 ALA N N 45 125.360 121.052 4.308 1
1 442 . 6 0 1 A 46 46 CYS H H 46 8.027 7.904 0.123 1
1 443 . 6 0 1 A 46 46 CYS HA H 46 4.168 4.416 -0.248 1
1 446 . 6 0 1 A 46 46 CYS CA C 46 59.006 58.243 0.763 1
1 447 . 6 0 1 A 46 46 CYS CB C 46 33.410 42.039 -8.629 1
1 448 . 6 0 1 A 46 46 CYS N N 46 117.400 116.746 0.654 1
1 449 . 6 0 1 A 47 47 ALA H H 47 7.144 7.484 -0.340 1
1 450 . 6 0 1 A 47 47 ALA HA H 47 3.837 4.026 -0.189 1
1 454 . 6 0 1 A 47 47 ALA CA C 47 55.130 54.909 0.221 1
1 455 . 6 0 1 A 47 47 ALA CB C 47 19.618 18.718 0.900 1
1 456 . 6 0 1 A 47 47 ALA N N 47 123.130 123.015 0.115 1
1 457 . 6 0 1 A 48 48 TYR H H 48 8.841 8.078 0.763 1
1 458 . 6 0 1 A 48 48 TYR HA H 48 3.896 4.435 -0.539 1
1 462 . 6 0 1 A 48 48 TYR CA C 48 63.769 61.153 2.616 1
1 463 . 6 0 1 A 48 48 TYR CB C 48 40.446 38.071 2.375 1
1 466 . 6 0 1 A 48 48 TYR N N 48 120.860 116.598 4.262 1
1 467 . 6 0 1 A 49 49 ARG H H 49 8.501 8.200 0.301 1
1 468 . 6 0 1 A 49 49 ARG HA H 49 3.840 4.024 -0.184 1
1 470 . 6 0 1 A 49 49 ARG CA C 49 60.324 59.116 1.208 1
1 471 . 6 0 1 A 49 49 ARG CB C 49 29.890 29.902 -0.012 1
1 472 . 6 0 1 A 49 49 ARG N N 49 117.110 121.735 -4.625 1
1 473 . 6 0 1 A 50 50 LYS H H 50 7.817 7.771 0.046 1
1 474 . 6 0 1 A 50 50 LYS HA H 50 3.965 4.186 -0.221 1
1 477 . 6 0 1 A 50 50 LYS CA C 50 61.111 59.093 2.018 1
1 478 . 6 0 1 A 50 50 LYS CB C 50 33.272 31.987 1.285 1
1 479 . 6 0 1 A 50 50 LYS N N 50 119.510 119.126 0.384 1
1 480 . 6 0 1 A 51 51 MET H H 51 7.934 8.582 -0.648 1
1 481 . 6 0 1 A 51 51 MET HA H 51 4.199 3.913 0.286 1
1 484 . 6 0 1 A 51 51 MET CA C 51 60.407 58.974 1.433 1
1 485 . 6 0 1 A 51 51 MET CB C 51 33.492 31.887 1.605 1
1 487 . 6 0 1 A 51 51 MET N N 51 119.740 118.367 1.373 1
1 488 . 6 0 1 A 52 52 CYS H H 52 8.545 8.029 0.516 1
1 489 . 6 0 1 A 52 52 CYS HA H 52 4.018 4.127 -0.109 1
1 492 . 6 0 1 A 52 52 CYS CA C 52 60.109 59.616 0.493 1
1 493 . 6 0 1 A 52 52 CYS CB C 52 40.790 41.932 -1.142 1
1 494 . 6 0 1 A 52 52 CYS N N 52 119.160 116.714 2.446 1
1 495 . 6 0 1 A 53 53 ALA H H 53 7.626 7.896 -0.270 1
1 496 . 6 0 1 A 53 53 ALA HA H 53 4.182 4.158 0.024 1
1 500 . 6 0 1 A 53 53 ALA CA C 53 54.149 54.718 -0.569 1
1 501 . 6 0 1 A 53 53 ALA CB C 53 18.492 19.104 -0.612 1
1 502 . 6 0 1 A 53 53 ALA N N 53 122.360 122.671 -0.311 1
1 503 . 6 0 1 A 54 54 THR H H 54 7.041 8.587 -1.546 1
1 504 . 6 0 1 A 54 54 THR HA H 54 4.180 4.658 -0.478 1
1 509 . 6 0 1 A 54 54 THR CA C 54 63.143 63.413 -0.270 1
1 510 . 6 0 1 A 54 54 THR CB C 54 71.301 71.306 -0.005 1
1 512 . 6 0 1 A 54 54 THR N N 54 107.780 109.808 -2.028 1
1 513 . 6 0 1 A 55 55 ASN H H 55 8.071 7.490 0.581 1
1 514 . 6 0 1 A 55 55 ASN HA H 55 4.409 5.061 -0.652 1
1 518 . 6 0 1 A 55 55 ASN CA C 55 55.475 52.439 3.036 1
1 519 . 6 0 1 A 55 55 ASN CB C 55 38.226 40.666 -2.440 1
1 520 . 6 0 1 A 55 55 ASN N N 55 114.220 115.155 -0.935 1
1 522 . 6 0 1 A 56 56 ASN H H 56 7.751 8.680 -0.929 1
1 523 . 6 0 1 A 56 56 ASN HA H 56 4.598 4.818 -0.220 1
1 528 . 6 0 1 A 56 56 ASN CA C 56 53.301 53.730 -0.429 1
1 529 . 6 0 1 A 56 56 ASN CB C 56 38.408 39.268 -0.860 1
1 530 . 6 0 1 A 56 56 ASN N N 56 117.400 116.863 0.537 1
1 532 . 6 0 1 A 57 57 LEU H H 57 8.623 8.357 0.266 1
1 533 . 6 0 1 A 57 57 LEU HA H 57 3.783 3.970 -0.187 1
1 536 . 6 0 1 A 57 57 LEU CA C 57 58.796 57.699 1.097 1
1 537 . 6 0 1 A 57 57 LEU CB C 57 42.709 41.243 1.466 1
1 538 . 6 0 1 A 57 57 LEU N N 57 127.190 119.536 7.654 1
1 539 . 6 0 1 A 58 58 GLU H H 58 8.353 8.443 -0.090 1
1 540 . 6 0 1 A 58 58 GLU HA H 58 3.792 4.032 -0.240 1
1 543 . 6 0 1 A 58 58 GLU CA C 58 60.263 59.816 0.447 1
1 544 . 6 0 1 A 58 58 GLU CB C 58 27.565 29.338 -1.773 1
1 546 . 6 0 1 A 58 58 GLU N N 58 117.370 118.829 -1.459 1
1 547 . 6 0 1 A 59 59 GLN H H 59 7.434 8.086 -0.652 1
1 548 . 6 0 1 A 59 59 GLN HA H 59 3.850 4.047 -0.197 1
1 553 . 6 0 1 A 59 59 GLN CA C 59 58.858 58.590 0.268 1
1 554 . 6 0 1 A 59 59 GLN CB C 59 28.858 28.562 0.296 1
1 556 . 6 0 1 A 59 59 GLN N N 59 119.730 118.918 0.812 1
1 558 . 6 0 1 A 60 60 ALA H H 60 8.043 7.749 0.294 1
1 559 . 6 0 1 A 60 60 ALA HA H 60 4.090 4.131 -0.041 1
1 563 . 6 0 1 A 60 60 ALA CA C 60 55.496 55.000 0.496 1
1 564 . 6 0 1 A 60 60 ALA CB C 60 19.168 18.472 0.696 1
1 565 . 6 0 1 A 60 60 ALA N N 60 124.010 121.466 2.544 1
1 566 . 6 0 1 A 61 61 MET H H 61 8.690 7.868 0.822 1
1 567 . 6 0 1 A 61 61 MET HA H 61 4.240 3.732 0.508 1
1 571 . 6 0 1 A 61 61 MET CA C 61 59.964 57.871 2.093 1
1 572 . 6 0 1 A 61 61 MET CB C 61 34.709 31.967 2.742 1
1 574 . 6 0 1 A 61 61 MET N N 61 114.840 116.467 -1.627 1
1 575 . 6 0 1 A 62 62 SER H H 62 7.697 8.095 -0.398 1
1 576 . 6 0 1 A 62 62 SER HA H 62 4.527 3.947 0.580 1
1 579 . 6 0 1 A 62 62 SER CA C 62 61.590 61.268 0.322 1
1 580 . 6 0 1 A 62 62 SER CB C 62 63.726 62.504 1.222 1
1 581 . 6 0 1 A 62 62 SER N N 62 115.290 115.054 0.236 1
1 582 . 6 0 1 A 63 63 VAL H H 63 6.876 7.692 -0.816 1
1 583 . 6 0 1 A 63 63 VAL HA H 63 3.366 3.547 -0.181 1
1 591 . 6 0 1 A 63 63 VAL CA C 63 65.247 66.450 -1.203 1
1 592 . 6 0 1 A 63 63 VAL CB C 63 32.621 31.376 1.245 1
1 595 . 6 0 1 A 63 63 VAL N N 63 120.720 122.738 -2.018 1
1 596 . 6 0 1 A 64 64 TYR H H 64 6.677 7.802 -1.125 1
1 597 . 6 0 1 A 64 64 TYR HA H 64 4.274 4.349 -0.075 1
1 602 . 6 0 1 A 64 64 TYR CA C 64 57.735 60.120 -2.385 1
1 603 . 6 0 1 A 64 64 TYR CB C 64 42.007 38.938 3.069 1
1 606 . 6 0 1 A 64 64 TYR N N 64 115.320 118.657 -3.337 1
1 607 . 6 0 1 A 65 65 PHE H H 65 8.052 7.666 0.386 1
1 608 . 6 0 1 A 65 65 PHE HA H 65 5.160 4.679 0.481 1
1 614 . 6 0 1 A 65 65 PHE CA C 65 56.486 55.708 0.778 1
1 615 . 6 0 1 A 65 65 PHE CB C 65 43.296 40.509 2.787 1
1 619 . 6 0 1 A 65 65 PHE N N 65 117.410 116.703 0.707 1
1 620 . 6 0 1 A 66 66 THR H H 66 8.302 9.069 -0.767 1
1 621 . 6 0 1 A 66 66 THR HA H 66 4.657 4.720 -0.063 1
1 626 . 6 0 1 A 66 66 THR CA C 66 60.932 60.571 0.361 1
1 627 . 6 0 1 A 66 66 THR CB C 66 71.138 71.681 -0.543 1
1 629 . 6 0 1 A 66 66 THR N N 66 111.430 113.831 -2.401 1
1 630 . 6 0 1 A 67 67 ASN H H 67 9.025 9.068 -0.043 1
1 631 . 6 0 1 A 67 67 ASN HA H 67 4.223 4.451 -0.228 1
1 636 . 6 0 1 A 67 67 ASN CA C 67 57.459 57.159 0.300 1
1 637 . 6 0 1 A 67 67 ASN CB C 67 38.180 38.496 -0.316 1
1 638 . 6 0 1 A 67 67 ASN N N 67 120.120 120.417 -0.297 1
1 640 . 6 0 1 A 68 68 GLU H H 68 8.403 8.529 -0.126 1
1 641 . 6 0 1 A 68 68 GLU HA H 68 3.956 4.112 -0.156 1
1 645 . 6 0 1 A 68 68 GLU CA C 68 59.700 59.456 0.244 1
1 646 . 6 0 1 A 68 68 GLU CB C 68 28.105 29.134 -1.029 1
1 648 . 6 0 1 A 68 68 GLU N N 68 120.220 117.348 2.872 1
1 649 . 6 0 1 A 69 69 GLN H H 69 7.411 8.013 -0.602 1
1 650 . 6 0 1 A 69 69 GLN HA H 69 3.822 3.952 -0.130 1
1 657 . 6 0 1 A 69 69 GLN CA C 69 58.952 58.758 0.194 1
1 658 . 6 0 1 A 69 69 GLN CB C 69 28.418 28.334 0.084 1
1 659 . 6 0 1 A 69 69 GLN N N 69 120.940 119.135 1.805 1
1 661 . 6 0 1 A 70 70 ILE H H 70 8.327 7.559 0.768 1
1 662 . 6 0 1 A 70 70 ILE HA H 70 3.036 3.664 -0.628 1
1 671 . 6 0 1 A 70 70 ILE CA C 70 66.926 62.069 4.857 1
1 672 . 6 0 1 A 70 70 ILE CB C 70 38.603 38.091 0.512 1
1 676 . 6 0 1 A 70 70 ILE N N 70 120.560 119.641 0.919 1
1 677 . 6 0 1 A 71 71 LYS H H 71 7.554 8.167 -0.613 1
1 678 . 6 0 1 A 71 71 LYS HA H 71 3.909 3.932 -0.023 1
1 681 . 6 0 1 A 71 71 LYS CA C 71 60.156 60.449 -0.293 1
1 682 . 6 0 1 A 71 71 LYS CB C 71 32.294 32.382 -0.088 1
1 683 . 6 0 1 A 71 71 LYS N N 71 121.040 121.727 -0.687 1
1 684 . 6 0 1 A 72 72 GLU H H 72 7.885 7.816 0.069 1
1 685 . 6 0 1 A 72 72 GLU HA H 72 3.989 3.782 0.207 1
1 688 . 6 0 1 A 72 72 GLU CA C 72 60.266 58.893 1.373 1
1 689 . 6 0 1 A 72 72 GLU CB C 72 30.213 29.025 1.188 1
1 691 . 6 0 1 A 72 72 GLU N N 72 119.670 119.649 0.021 1
1 692 . 6 0 1 A 73 73 ILE H H 73 8.193 7.789 0.404 1
1 693 . 6 0 1 A 73 73 ILE HA H 73 3.312 3.728 -0.416 1
1 703 . 6 0 1 A 73 73 ILE CA C 73 66.520 63.977 2.543 1
1 704 . 6 0 1 A 73 73 ILE CB C 73 38.344 36.995 1.349 1
1 708 . 6 0 1 A 73 73 ILE N N 73 121.390 120.661 0.729 1
1 709 . 6 0 1 A 74 74 HIS H H 74 8.624 8.159 0.465 1
1 710 . 6 0 1 A 74 74 HIS HA H 74 4.174 4.106 0.068 1
1 714 . 6 0 1 A 74 74 HIS CA C 74 59.179 60.145 -0.966 1
1 715 . 6 0 1 A 74 74 HIS CB C 74 28.498 29.921 -1.423 1
1 718 . 6 0 1 A 74 74 HIS N N 74 119.430 120.609 -1.179 1
1 719 . 6 0 1 A 75 75 ASP H H 75 8.824 8.178 0.646 1
1 720 . 6 0 1 A 75 75 ASP HA H 75 4.276 4.077 0.199 1
1 722 . 6 0 1 A 75 75 ASP CA C 75 56.474 57.049 -0.575 1
1 723 . 6 0 1 A 75 75 ASP CB C 75 38.100 40.921 -2.821 1
1 724 . 6 0 1 A 75 75 ASP N N 75 119.980 118.921 1.059 1
1 725 . 6 0 1 A 76 76 ALA H H 76 8.064 8.121 -0.057 1
1 726 . 6 0 1 A 76 76 ALA HA H 76 4.012 4.096 -0.084 1
1 730 . 6 0 1 A 76 76 ALA CA C 76 54.988 54.714 0.274 1
1 731 . 6 0 1 A 76 76 ALA CB C 76 20.747 18.365 2.382 1
1 732 . 6 0 1 A 76 76 ALA N N 76 125.030 120.935 4.095 1
1 733 . 6 0 1 A 77 77 ALA H H 77 8.659 7.952 0.707 1
1 734 . 6 0 1 A 77 77 ALA HA H 77 3.613 4.818 -1.205 1
1 738 . 6 0 1 A 77 77 ALA CA C 77 55.772 52.960 2.812 1
1 739 . 6 0 1 A 77 77 ALA CB C 77 18.217 19.151 -0.934 1
1 740 . 6 0 1 A 77 77 ALA N N 77 122.060 119.241 2.819 1
1 741 . 6 0 1 A 78 78 THR H H 78 7.651 7.308 0.343 1
1 742 . 6 0 1 A 78 78 THR HA H 78 3.762 3.956 -0.194 1
1 747 . 6 0 1 A 78 78 THR CA C 78 66.360 64.777 1.583 1
1 748 . 6 0 1 A 78 78 THR CB C 78 68.873 69.320 -0.447 1
1 750 . 6 0 1 A 78 78 THR N N 78 113.580 111.394 2.186 1
1 751 . 6 0 1 A 79 79 ALA H H 79 7.291 7.869 -0.578 1
1 752 . 6 0 1 A 79 79 ALA HA H 79 4.022 4.214 -0.192 1
1 756 . 6 0 1 A 79 79 ALA CA C 79 54.713 52.024 2.689 1
1 757 . 6 0 1 A 79 79 ALA CB C 79 18.695 19.432 -0.737 1
1 758 . 6 0 1 A 79 79 ALA N N 79 123.330 118.627 4.703 1
1 759 . 6 0 1 A 80 80 CYS H H 80 7.781 7.841 -0.060 1
1 760 . 6 0 1 A 80 80 CYS HA H 80 4.295 4.974 -0.679 1
1 762 . 6 0 1 A 80 80 CYS CA C 80 57.577 57.734 -0.157 1
1 763 . 6 0 1 A 80 80 CYS CB C 80 43.192 40.728 2.464 1
1 764 . 6 0 1 A 80 80 CYS N N 80 115.190 114.536 0.654 1
1 765 . 6 0 1 A 81 81 ASP H H 81 7.323 7.461 -0.138 1
1 766 . 6 0 1 A 81 81 ASP HA H 81 4.743 5.102 -0.359 1
1 769 . 6 0 1 A 81 81 ASP CA C 81 52.419 51.522 0.897 1
1 770 . 6 0 1 A 81 81 ASP CB C 81 40.376 41.679 -1.303 1
1 771 . 6 0 1 A 81 81 ASP N N 81 121.570 119.817 1.753 1
1 772 . 6 0 1 A 82 82 PRO HA H 82 4.312 4.545 -0.233 1
1 777 . 6 0 1 A 82 82 PRO CA C 82 64.427 63.819 0.608 1
1 778 . 6 0 1 A 82 82 PRO CB C 82 32.685 31.848 0.837 1
1 780 . 6 0 1 A 83 83 GLU H H 83 8.036 8.048 -0.012 1
1 781 . 6 0 1 A 83 83 GLU HA H 83 4.126 4.493 -0.367 1
1 785 . 6 0 1 A 83 83 GLU CA C 83 56.523 57.526 -1.003 1
1 786 . 6 0 1 A 83 83 GLU CB C 83 28.819 32.227 -3.408 1
1 788 . 6 0 1 A 83 83 GLU N N 83 118.550 119.042 -0.492 1
1 789 . 6 0 1 A 84 84 ALA H H 84 7.695 8.440 -0.745 1
1 790 . 6 0 1 A 84 84 ALA HA H 84 4.083 4.029 0.054 1
1 794 . 6 0 1 A 84 84 ALA CA C 84 52.963 54.420 -1.457 1
1 795 . 6 0 1 A 84 84 ALA CB C 84 19.516 18.988 0.528 1
1 796 . 6 0 1 A 84 84 ALA N N 84 123.730 121.564 2.166 1
1 797 . 6 0 1 A 85 85 HIS H H 85 8.078 7.621 0.457 1
1 798 . 6 0 1 A 85 85 HIS HA H 85 4.529 5.240 -0.711 1
1 803 . 6 0 1 A 85 85 HIS CA C 85 55.480 54.674 0.806 1
1 804 . 6 0 1 A 85 85 HIS CB C 85 29.115 33.905 -4.790 1
1 807 . 6 0 1 A 85 85 HIS N N 85 117.030 113.771 3.259 1
1 808 . 6 0 1 A 86 86 HIS H H 86 8.352 9.182 -0.830 1
1 809 . 6 0 1 A 86 86 HIS HA H 86 4.596 4.707 -0.111 1
1 814 . 6 0 1 A 86 86 HIS CA C 86 55.496 55.093 0.403 1
1 815 . 6 0 1 A 86 86 HIS CB C 86 29.414 30.524 -1.110 1
1 818 . 6 0 1 A 86 86 HIS N N 86 120.170 121.504 -1.334 1
1 819 . 6 0 1 A 87 87 GLU H H 87 8.300 8.805 -0.505 1
1 820 . 6 0 1 A 87 87 GLU HA H 87 4.194 3.636 0.558 1
1 823 . 6 0 1 A 87 87 GLU CA C 87 56.264 57.791 -1.527 1
1 824 . 6 0 1 A 87 87 GLU CB C 87 29.329 28.313 1.016 1
1 826 . 6 0 1 A 87 87 GLU N N 87 121.850 123.791 -1.941 1
1 827 . 6 0 1 A 88 88 HIS H H 88 8.524 8.563 -0.039 1
1 828 . 6 0 1 A 88 88 HIS HA H 88 4.597 4.592 0.005 1
1 832 . 6 0 1 A 88 88 HIS CA C 88 55.621 56.872 -1.251 1
1 833 . 6 0 1 A 88 88 HIS CB C 88 29.150 28.693 0.457 1
1 836 . 6 0 1 A 88 88 HIS N N 88 119.750 110.570 9.180 1
1 837 . 6 0 1 A 89 89 ASP H H 89 8.343 8.896 -0.553 1
1 838 . 6 0 1 A 89 89 ASP HA H 89 4.579 4.834 -0.255 1
1 840 . 6 0 1 A 89 89 ASP CA C 89 53.805 54.319 -0.514 1
1 841 . 6 0 1 A 89 89 ASP CB C 89 38.560 39.663 -1.103 1
1 842 . 6 0 1 A 89 89 ASP N N 89 120.950 123.955 -3.005 1
1 9 . 7 0 1 A 2 2 HIS H H 2 8.902 8.924 -0.022 1
1 10 . 7 0 1 A 2 2 HIS HA H 2 4.665 4.632 0.033 1
1 14 . 7 0 1 A 2 2 HIS CA C 2 55.744 56.361 -0.617 1
1 15 . 7 0 1 A 2 2 HIS CB C 2 29.481 32.464 -2.983 1
1 18 . 7 0 1 A 2 2 HIS N N 2 122.160 121.989 0.171 1
1 19 . 7 0 1 A 3 3 GLN H H 3 8.624 9.198 -0.574 1
1 20 . 7 0 1 A 3 3 GLN HA H 3 4.265 3.778 0.487 1
1 24 . 7 0 1 A 3 3 GLN CA C 3 55.961 57.230 -1.269 1
1 25 . 7 0 1 A 3 3 GLN CB C 3 29.727 26.888 2.839 1
1 27 . 7 0 1 A 3 3 GLN N N 3 123.710 126.127 -2.417 1
1 29 . 7 0 1 A 4 4 GLU H H 4 8.499 8.440 0.059 1
1 30 . 7 0 1 A 4 4 GLU HA H 4 4.250 4.150 0.100 1
1 33 . 7 0 1 A 4 4 GLU CA C 4 56.888 58.646 -1.758 1
1 34 . 7 0 1 A 4 4 GLU CB C 4 29.316 28.395 0.921 1
1 36 . 7 0 1 A 4 4 GLU N N 4 123.160 110.874 12.286 1
1 37 . 7 0 1 A 5 5 LEU H H 5 8.464 8.616 -0.152 1
1 38 . 7 0 1 A 5 5 LEU HA H 5 4.004 4.322 -0.318 1
1 50 . 7 0 1 A 5 5 LEU N N 5 123.070 121.899 1.171 1
1 51 . 7 0 1 A 6 6 CYS H H 6 7.980 7.696 0.284 1
1 52 . 7 0 1 A 6 6 CYS HA H 6 4.565 4.722 -0.157 1
1 55 . 7 0 1 A 6 6 CYS N N 6 113.540 113.378 0.162 1
1 56 . 7 0 1 A 7 7 THR H H 7 7.639 9.345 -1.706 1
1 57 . 7 0 1 A 7 7 THR HA H 7 4.344 4.118 0.226 1
1 62 . 7 0 1 A 7 7 THR CA C 7 61.772 62.882 -1.110 1
1 63 . 7 0 1 A 7 7 THR CB C 7 69.825 67.569 2.256 1
1 65 . 7 0 1 A 7 7 THR N N 7 108.740 122.565 -13.825 1
1 66 . 7 0 1 A 8 8 LYS H H 8 7.380 8.897 -1.517 1
1 67 . 7 0 1 A 8 8 LYS HA H 8 4.174 3.954 0.220 1
1 72 . 7 0 1 A 8 8 LYS CA C 8 56.632 57.352 -0.720 1
1 73 . 7 0 1 A 8 8 LYS CB C 8 34.166 30.185 3.981 1
1 75 . 7 0 1 A 8 8 LYS N N 8 122.500 124.555 -2.055 1
1 76 . 7 0 1 A 9 9 GLY H H 9 8.554 8.716 -0.162 1
1 77 . 7 0 1 A 9 9 GLY HA2 H 9 4.027 3.835 0.192 1
1 78 . 7 0 1 A 9 9 GLY HA3 H 9 3.868 3.841 0.027 1
1 79 . 7 0 1 A 9 9 GLY CA C 9 45.101 46.926 -1.825 1
1 80 . 7 0 1 A 9 9 GLY N N 9 108.960 106.013 2.947 1
1 81 . 7 0 1 A 10 10 ASP H H 10 8.455 9.090 -0.635 1
1 82 . 7 0 1 A 10 10 ASP HA H 10 4.146 4.371 -0.225 1
1 84 . 7 0 1 A 10 10 ASP CA C 10 57.568 56.536 1.032 1
1 85 . 7 0 1 A 10 10 ASP CB C 10 38.723 39.794 -1.071 1
1 86 . 7 0 1 A 10 10 ASP N N 10 118.550 125.949 -7.399 1
1 87 . 7 0 1 A 11 11 ASP H H 11 8.538 7.978 0.560 1
1 88 . 7 0 1 A 11 11 ASP HA H 11 4.262 4.268 -0.006 1
1 90 . 7 0 1 A 11 11 ASP CA C 11 56.696 57.947 -1.251 1
1 91 . 7 0 1 A 11 11 ASP CB C 11 37.812 41.739 -3.927 1
1 92 . 7 0 1 A 11 11 ASP N N 11 118.150 120.309 -2.159 1
1 93 . 7 0 1 A 12 12 ALA H H 12 7.935 7.767 0.168 1
1 94 . 7 0 1 A 12 12 ALA HA H 12 4.052 4.710 -0.658 1
1 98 . 7 0 1 A 12 12 ALA CA C 12 55.104 53.953 1.151 1
1 99 . 7 0 1 A 12 12 ALA CB C 12 19.122 18.648 0.474 1
1 100 . 7 0 1 A 12 12 ALA N N 12 123.880 121.138 2.742 1
1 101 . 7 0 1 A 13 13 LEU H H 13 8.367 7.556 0.811 1
1 102 . 7 0 1 A 13 13 LEU HA H 13 4.524 4.095 0.429 1
1 104 . 7 0 1 A 13 13 LEU CA C 13 54.138 57.006 -2.868 1
1 105 . 7 0 1 A 13 13 LEU CB C 13 39.063 41.467 -2.404 1
1 106 . 7 0 1 A 13 13 LEU N N 13 120.800 116.755 4.045 1
1 107 . 7 0 1 A 14 14 VAL H H 14 8.127 7.693 0.434 1
1 108 . 7 0 1 A 14 14 VAL HA H 14 3.354 3.842 -0.488 1
1 116 . 7 0 1 A 14 14 VAL CA C 14 67.895 65.074 2.821 1
1 117 . 7 0 1 A 14 14 VAL CB C 14 32.471 31.809 0.662 1
1 120 . 7 0 1 A 14 14 VAL N N 14 121.290 119.426 1.864 1
1 121 . 7 0 1 A 15 15 THR H H 15 7.813 8.231 -0.418 1
1 122 . 7 0 1 A 15 15 THR HA H 15 3.824 3.935 -0.111 1
1 127 . 7 0 1 A 15 15 THR CA C 15 66.838 66.131 0.707 1
1 128 . 7 0 1 A 15 15 THR CB C 15 69.152 68.322 0.830 1
1 130 . 7 0 1 A 15 15 THR N N 15 115.770 112.879 2.891 1
1 131 . 7 0 1 A 16 16 GLU H H 16 8.201 8.089 0.112 1
1 132 . 7 0 1 A 16 16 GLU HA H 16 4.134 3.952 0.182 1
1 136 . 7 0 1 A 16 16 GLU CA C 16 60.219 59.281 0.938 1
1 137 . 7 0 1 A 16 16 GLU CB C 16 27.443 29.189 -1.746 1
1 139 . 7 0 1 A 16 16 GLU N N 16 123.330 122.232 1.098 1
1 140 . 7 0 1 A 17 17 LEU H H 17 8.637 8.159 0.478 1
1 141 . 7 0 1 A 17 17 LEU HA H 17 3.779 3.957 -0.178 1
1 145 . 7 0 1 A 17 17 LEU CA C 17 58.646 58.265 0.381 1
1 146 . 7 0 1 A 17 17 LEU CB C 17 41.289 41.533 -0.244 1
1 147 . 7 0 1 A 17 17 LEU N N 17 119.350 121.110 -1.760 1
1 148 . 7 0 1 A 18 18 GLU H H 18 7.903 8.842 -0.939 1
1 149 . 7 0 1 A 18 18 GLU HA H 18 4.048 4.021 0.027 1
1 153 . 7 0 1 A 18 18 GLU CA C 18 59.140 58.783 0.357 1
1 154 . 7 0 1 A 18 18 GLU CB C 18 27.587 27.998 -0.411 1
1 156 . 7 0 1 A 18 18 GLU N N 18 122.730 117.707 5.023 1
1 157 . 7 0 1 A 19 19 CYS H H 19 7.231 7.392 -0.161 1
1 158 . 7 0 1 A 19 19 CYS HA H 19 4.135 4.658 -0.523 1
1 161 . 7 0 1 A 19 19 CYS CA C 19 60.041 56.557 3.484 1
1 162 . 7 0 1 A 19 19 CYS CB C 19 39.419 42.489 -3.070 1
1 163 . 7 0 1 A 19 19 CYS N N 19 120.230 116.738 3.492 1
1 164 . 7 0 1 A 20 20 ILE H H 20 8.433 7.628 0.805 1
1 165 . 7 0 1 A 20 20 ILE HA H 20 3.288 4.014 -0.726 1
1 174 . 7 0 1 A 20 20 ILE CA C 20 66.135 63.731 2.404 1
1 175 . 7 0 1 A 20 20 ILE CB C 20 39.423 38.101 1.322 1
1 179 . 7 0 1 A 20 20 ILE N N 20 122.030 119.409 2.621 1
1 180 . 7 0 1 A 21 21 ARG H H 21 7.644 8.267 -0.623 1
1 181 . 7 0 1 A 21 21 ARG HA H 21 3.823 4.265 -0.442 1
1 183 . 7 0 1 A 21 21 ARG CA C 21 59.557 56.924 2.633 1
1 184 . 7 0 1 A 21 21 ARG CB C 21 30.680 30.302 0.378 1
1 187 . 7 0 1 A 21 21 ARG N N 21 119.330 121.646 -2.316 1
1 188 . 7 0 1 A 22 22 LEU H H 22 6.877 7.735 -0.858 1
1 189 . 7 0 1 A 22 22 LEU HA H 22 4.111 4.215 -0.104 1
1 199 . 7 0 1 A 22 22 LEU CA C 22 56.458 54.333 2.125 1
1 200 . 7 0 1 A 22 22 LEU CB C 22 42.824 41.096 1.728 1
1 204 . 7 0 1 A 22 22 LEU N N 22 114.780 115.643 -0.863 1
1 205 . 7 0 1 A 23 23 ARG H H 23 7.570 8.143 -0.573 1
1 206 . 7 0 1 A 23 23 ARG HA H 23 4.384 4.108 0.276 1
1 212 . 7 0 1 A 23 23 ARG CA C 23 56.733 57.476 -0.743 1
1 213 . 7 0 1 A 23 23 ARG CB C 23 33.160 29.950 3.210 1
1 216 . 7 0 1 A 23 23 ARG N N 23 117.100 118.857 -1.757 1
1 218 . 7 0 1 A 24 24 ILE H H 24 7.041 8.453 -1.412 1
1 219 . 7 0 1 A 24 24 ILE HA H 24 4.653 3.988 0.665 1
1 229 . 7 0 1 A 24 24 ILE CA C 24 60.889 63.673 -2.784 1
1 230 . 7 0 1 A 24 24 ILE CB C 24 40.480 36.714 3.766 1
1 234 . 7 0 1 A 24 24 ILE N N 24 112.510 117.867 -5.357 1
1 235 . 7 0 1 A 25 25 SER H H 25 8.441 8.437 0.004 1
1 236 . 7 0 1 A 25 25 SER HA H 25 4.572 4.665 -0.093 1
1 239 . 7 0 1 A 25 25 SER CA C 25 58.047 59.437 -1.390 1
1 240 . 7 0 1 A 25 25 SER CB C 25 63.703 65.013 -1.310 1
1 241 . 7 0 1 A 25 25 SER N N 25 116.820 121.280 -4.460 1
1 242 . 7 0 1 A 26 26 PRO HA H 26 4.457 4.491 -0.034 1
1 248 . 7 0 1 A 26 26 PRO CA C 26 66.703 62.402 4.301 1
1 249 . 7 0 1 A 26 26 PRO CB C 26 32.374 32.842 -0.468 1
1 252 . 7 0 1 A 27 27 GLU H H 27 8.543 8.668 -0.125 1
1 253 . 7 0 1 A 27 27 GLU HA H 27 4.170 4.092 0.078 1
1 257 . 7 0 1 A 27 27 GLU CA C 27 60.003 58.983 1.020 1
1 258 . 7 0 1 A 27 27 GLU CB C 27 27.944 29.068 -1.124 1
1 260 . 7 0 1 A 27 27 GLU N N 27 117.750 121.611 -3.861 1
1 261 . 7 0 1 A 28 28 THR H H 28 8.099 7.756 0.343 1
1 262 . 7 0 1 A 28 28 THR HA H 28 4.178 2.647 1.531 1
1 267 . 7 0 1 A 28 28 THR CA C 28 67.201 65.345 1.856 1
1 268 . 7 0 1 A 28 28 THR CB C 28 67.314 68.998 -1.684 1
1 270 . 7 0 1 A 28 28 THR N N 28 122.040 115.352 6.688 1
1 271 . 7 0 1 A 29 29 ASN H H 29 8.621 7.855 0.766 1
1 272 . 7 0 1 A 29 29 ASN HA H 29 4.522 4.399 0.123 1
1 276 . 7 0 1 A 29 29 ASN CA C 29 58.319 56.067 2.252 1
1 277 . 7 0 1 A 29 29 ASN CB C 29 39.553 38.297 1.256 1
1 278 . 7 0 1 A 29 29 ASN N N 29 122.850 119.702 3.148 1
1 280 . 7 0 1 A 30 30 ALA H H 30 8.185 8.073 0.112 1
1 281 . 7 0 1 A 30 30 ALA HA H 30 4.141 3.973 0.168 1
1 285 . 7 0 1 A 30 30 ALA CA C 30 55.716 55.066 0.650 1
1 286 . 7 0 1 A 30 30 ALA CB C 30 17.815 18.385 -0.570 1
1 287 . 7 0 1 A 30 30 ALA N N 30 123.330 122.186 1.144 1
1 288 . 7 0 1 A 31 31 ALA H H 31 7.852 8.008 -0.156 1
1 289 . 7 0 1 A 31 31 ALA HA H 31 4.182 3.752 0.430 1
1 293 . 7 0 1 A 31 31 ALA CA C 31 55.395 54.562 0.833 1
1 294 . 7 0 1 A 31 31 ALA CB C 31 18.712 18.343 0.369 1
1 295 . 7 0 1 A 31 31 ALA N N 31 122.920 120.082 2.838 1
1 296 . 7 0 1 A 32 32 PHE H H 32 8.497 7.386 1.111 1
1 297 . 7 0 1 A 32 32 PHE HA H 32 4.300 4.240 0.060 1
1 303 . 7 0 1 A 32 32 PHE CA C 32 59.972 61.261 -1.289 1
1 304 . 7 0 1 A 32 32 PHE CB C 32 39.152 38.006 1.146 1
1 308 . 7 0 1 A 32 32 PHE N N 32 123.980 116.108 7.872 1
1 309 . 7 0 1 A 33 33 ASP H H 33 8.380 8.132 0.248 1
1 310 . 7 0 1 A 33 33 ASP HA H 33 4.298 4.322 -0.024 1
1 313 . 7 0 1 A 33 33 ASP CA C 33 57.394 57.237 0.157 1
1 314 . 7 0 1 A 33 33 ASP CB C 33 38.380 41.069 -2.689 1
1 315 . 7 0 1 A 33 33 ASP N N 33 119.640 120.860 -1.220 1
1 316 . 7 0 1 A 34 34 ASN H H 34 7.854 8.095 -0.241 1
1 317 . 7 0 1 A 34 34 ASN HA H 34 4.410 4.303 0.107 1
1 321 . 7 0 1 A 34 34 ASN CA C 34 56.974 55.875 1.099 1
1 322 . 7 0 1 A 34 34 ASN CB C 34 38.740 37.287 1.453 1
1 323 . 7 0 1 A 34 34 ASN N N 34 119.710 116.229 3.481 1
1 325 . 7 0 1 A 35 35 ALA H H 35 7.743 7.735 0.008 1
1 326 . 7 0 1 A 35 35 ALA HA H 35 2.999 4.039 -1.040 1
1 330 . 7 0 1 A 35 35 ALA CA C 35 55.881 55.100 0.781 1
1 331 . 7 0 1 A 35 35 ALA CB C 35 17.360 18.761 -1.401 1
1 332 . 7 0 1 A 35 35 ALA N N 35 123.520 121.469 2.051 1
1 333 . 7 0 1 A 36 36 VAL H H 36 7.802 8.632 -0.830 1
1 334 . 7 0 1 A 36 36 VAL HA H 36 2.973 3.563 -0.590 1
1 342 . 7 0 1 A 36 36 VAL CA C 36 67.829 66.387 1.442 1
1 343 . 7 0 1 A 36 36 VAL CB C 36 32.410 31.304 1.106 1
1 346 . 7 0 1 A 36 36 VAL N N 36 115.430 117.791 -2.361 1
1 347 . 7 0 1 A 37 37 GLN H H 37 7.027 8.431 -1.404 1
1 348 . 7 0 1 A 37 37 GLN HA H 37 4.093 3.915 0.178 1
1 353 . 7 0 1 A 37 37 GLN CA C 37 59.039 58.925 0.114 1
1 354 . 7 0 1 A 37 37 GLN CB C 37 28.910 28.663 0.247 1
1 356 . 7 0 1 A 37 37 GLN N N 37 116.140 120.730 -4.590 1
1 358 . 7 0 1 A 38 38 GLN H H 38 8.443 7.888 0.555 1
1 359 . 7 0 1 A 38 38 GLN HA H 38 3.939 3.999 -0.060 1
1 365 . 7 0 1 A 38 38 GLN CA C 38 58.748 58.927 -0.179 1
1 366 . 7 0 1 A 38 38 GLN CB C 38 28.854 28.447 0.407 1
1 368 . 7 0 1 A 38 38 GLN N N 38 120.080 119.076 1.004 1
1 370 . 7 0 1 A 39 39 LEU H H 39 7.565 7.512 0.053 1
1 371 . 7 0 1 A 39 39 LEU HA H 39 4.199 4.265 -0.066 1
1 380 . 7 0 1 A 39 39 LEU CA C 39 54.901 55.082 -0.181 1
1 381 . 7 0 1 A 39 39 LEU CB C 39 42.208 42.664 -0.456 1
1 383 . 7 0 1 A 39 39 LEU N N 39 117.930 115.729 2.201 1
1 384 . 7 0 1 A 40 40 ASN H H 40 7.976 8.115 -0.139 1
1 385 . 7 0 1 A 40 40 ASN HA H 40 4.313 4.674 -0.361 1
1 389 . 7 0 1 A 40 40 ASN CA C 40 54.625 54.031 0.594 1
1 390 . 7 0 1 A 40 40 ASN CB C 40 36.903 36.560 0.343 1
1 391 . 7 0 1 A 40 40 ASN N N 40 118.780 116.974 1.806 1
1 393 . 7 0 1 A 41 41 CYS H H 41 7.833 8.105 -0.272 1
1 394 . 7 0 1 A 41 41 CYS HA H 41 4.888 4.665 0.223 1
1 397 . 7 0 1 A 41 41 CYS CA C 41 55.148 56.219 -1.071 1
1 398 . 7 0 1 A 41 41 CYS CB C 41 42.078 42.613 -0.535 1
1 399 . 7 0 1 A 41 41 CYS N N 41 115.600 118.114 -2.514 1
1 400 . 7 0 1 A 42 42 LEU H H 42 8.371 8.014 0.357 1
1 401 . 7 0 1 A 42 42 LEU HA H 42 4.340 3.950 0.390 1
1 410 . 7 0 1 A 42 42 LEU CA C 42 55.342 57.612 -2.270 1
1 411 . 7 0 1 A 42 42 LEU CB C 42 43.358 40.214 3.144 1
1 415 . 7 0 1 A 42 42 LEU N N 42 116.770 119.154 -2.384 1
1 416 . 7 0 1 A 43 43 ASN H H 43 7.025 8.578 -1.553 1
1 417 . 7 0 1 A 43 43 ASN HA H 43 4.767 4.728 0.039 1
1 422 . 7 0 1 A 43 43 ASN CA C 43 51.715 53.534 -1.819 1
1 423 . 7 0 1 A 43 43 ASN CB C 43 41.011 39.006 2.005 1
1 424 . 7 0 1 A 43 43 ASN N N 43 111.360 116.392 -5.032 1
1 426 . 7 0 1 A 44 44 ARG H H 44 8.735 9.011 -0.276 1
1 427 . 7 0 1 A 44 44 ARG HA H 44 3.868 4.163 -0.295 1
1 431 . 7 0 1 A 44 44 ARG CA C 44 60.307 59.029 1.278 1
1 432 . 7 0 1 A 44 44 ARG CB C 44 30.895 29.886 1.009 1
1 433 . 7 0 1 A 44 44 ARG N N 44 118.870 122.473 -3.603 1
1 434 . 7 0 1 A 45 45 ALA H H 45 8.381 8.122 0.259 1
1 435 . 7 0 1 A 45 45 ALA HA H 45 3.814 3.952 -0.138 1
1 439 . 7 0 1 A 45 45 ALA CA C 45 56.384 55.221 1.163 1
1 440 . 7 0 1 A 45 45 ALA CB C 45 17.800 18.220 -0.420 1
1 441 . 7 0 1 A 45 45 ALA N N 45 125.360 121.709 3.651 1
1 442 . 7 0 1 A 46 46 CYS H H 46 8.027 8.210 -0.183 1
1 443 . 7 0 1 A 46 46 CYS HA H 46 4.168 4.270 -0.102 1
1 446 . 7 0 1 A 46 46 CYS CA C 46 59.006 59.741 -0.735 1
1 447 . 7 0 1 A 46 46 CYS CB C 46 33.410 41.226 -7.816 1
1 448 . 7 0 1 A 46 46 CYS N N 46 117.400 116.000 1.400 1
1 449 . 7 0 1 A 47 47 ALA H H 47 7.144 8.174 -1.030 1
1 450 . 7 0 1 A 47 47 ALA HA H 47 3.837 4.022 -0.185 1
1 454 . 7 0 1 A 47 47 ALA CA C 47 55.130 55.087 0.043 1
1 455 . 7 0 1 A 47 47 ALA CB C 47 19.618 18.963 0.655 1
1 456 . 7 0 1 A 47 47 ALA N N 47 123.130 122.481 0.649 1
1 457 . 7 0 1 A 48 48 TYR H H 48 8.841 7.967 0.874 1
1 458 . 7 0 1 A 48 48 TYR HA H 48 3.896 4.013 -0.117 1
1 462 . 7 0 1 A 48 48 TYR CA C 48 63.769 62.316 1.453 1
1 463 . 7 0 1 A 48 48 TYR CB C 48 40.446 38.581 1.865 1
1 466 . 7 0 1 A 48 48 TYR N N 48 120.860 119.337 1.523 1
1 467 . 7 0 1 A 49 49 ARG H H 49 8.501 8.887 -0.386 1
1 468 . 7 0 1 A 49 49 ARG HA H 49 3.840 4.035 -0.195 1
1 470 . 7 0 1 A 49 49 ARG CA C 49 60.324 59.048 1.276 1
1 471 . 7 0 1 A 49 49 ARG CB C 49 29.890 29.434 0.456 1
1 472 . 7 0 1 A 49 49 ARG N N 49 117.110 119.683 -2.573 1
1 473 . 7 0 1 A 50 50 LYS H H 50 7.817 7.799 0.018 1
1 474 . 7 0 1 A 50 50 LYS HA H 50 3.965 4.133 -0.168 1
1 477 . 7 0 1 A 50 50 LYS CA C 50 61.111 59.018 2.093 1
1 478 . 7 0 1 A 50 50 LYS CB C 50 33.272 31.662 1.610 1
1 479 . 7 0 1 A 50 50 LYS N N 50 119.510 119.296 0.214 1
1 480 . 7 0 1 A 51 51 MET H H 51 7.934 8.359 -0.425 1
1 481 . 7 0 1 A 51 51 MET HA H 51 4.199 4.004 0.195 1
1 484 . 7 0 1 A 51 51 MET CA C 51 60.407 58.747 1.660 1
1 485 . 7 0 1 A 51 51 MET CB C 51 33.492 31.827 1.665 1
1 487 . 7 0 1 A 51 51 MET N N 51 119.740 118.390 1.350 1
1 488 . 7 0 1 A 52 52 CYS H H 52 8.545 8.077 0.468 1
1 489 . 7 0 1 A 52 52 CYS HA H 52 4.018 4.238 -0.220 1
1 492 . 7 0 1 A 52 52 CYS CA C 52 60.109 59.528 0.581 1
1 493 . 7 0 1 A 52 52 CYS CB C 52 40.790 41.670 -0.880 1
1 494 . 7 0 1 A 52 52 CYS N N 52 119.160 117.483 1.677 1
1 495 . 7 0 1 A 53 53 ALA H H 53 7.626 8.036 -0.410 1
1 496 . 7 0 1 A 53 53 ALA HA H 53 4.182 4.126 0.056 1
1 500 . 7 0 1 A 53 53 ALA CA C 53 54.149 54.708 -0.559 1
1 501 . 7 0 1 A 53 53 ALA CB C 53 18.492 18.957 -0.465 1
1 502 . 7 0 1 A 53 53 ALA N N 53 122.360 122.562 -0.202 1
1 503 . 7 0 1 A 54 54 THR H H 54 7.041 7.663 -0.622 1
1 504 . 7 0 1 A 54 54 THR HA H 54 4.180 4.659 -0.479 1
1 509 . 7 0 1 A 54 54 THR CA C 54 63.143 63.426 -0.283 1
1 510 . 7 0 1 A 54 54 THR CB C 54 71.301 71.218 0.083 1
1 512 . 7 0 1 A 54 54 THR N N 54 107.780 109.615 -1.835 1
1 513 . 7 0 1 A 55 55 ASN H H 55 8.071 7.768 0.303 1
1 514 . 7 0 1 A 55 55 ASN HA H 55 4.409 5.032 -0.623 1
1 518 . 7 0 1 A 55 55 ASN CA C 55 55.475 52.504 2.971 1
1 519 . 7 0 1 A 55 55 ASN CB C 55 38.226 40.800 -2.574 1
1 520 . 7 0 1 A 55 55 ASN N N 55 114.220 115.522 -1.302 1
1 522 . 7 0 1 A 56 56 ASN H H 56 7.751 8.945 -1.194 1
1 523 . 7 0 1 A 56 56 ASN HA H 56 4.598 4.872 -0.274 1
1 528 . 7 0 1 A 56 56 ASN CA C 56 53.301 54.183 -0.882 1
1 529 . 7 0 1 A 56 56 ASN CB C 56 38.408 39.026 -0.618 1
1 530 . 7 0 1 A 56 56 ASN N N 56 117.400 116.958 0.442 1
1 532 . 7 0 1 A 57 57 LEU H H 57 8.623 8.390 0.233 1
1 533 . 7 0 1 A 57 57 LEU HA H 57 3.783 4.357 -0.574 1
1 536 . 7 0 1 A 57 57 LEU CA C 57 58.796 54.744 4.052 1
1 537 . 7 0 1 A 57 57 LEU CB C 57 42.709 42.213 0.496 1
1 538 . 7 0 1 A 57 57 LEU N N 57 127.190 122.155 5.035 1
1 539 . 7 0 1 A 58 58 GLU H H 58 8.353 8.545 -0.192 1
1 540 . 7 0 1 A 58 58 GLU HA H 58 3.792 4.078 -0.286 1
1 543 . 7 0 1 A 58 58 GLU CA C 58 60.263 58.605 1.658 1
1 544 . 7 0 1 A 58 58 GLU CB C 58 27.565 28.462 -0.897 1
1 546 . 7 0 1 A 58 58 GLU N N 58 117.370 119.558 -2.188 1
1 547 . 7 0 1 A 59 59 GLN H H 59 7.434 8.230 -0.796 1
1 548 . 7 0 1 A 59 59 GLN HA H 59 3.850 3.992 -0.142 1
1 553 . 7 0 1 A 59 59 GLN CA C 59 58.858 59.133 -0.275 1
1 554 . 7 0 1 A 59 59 GLN CB C 59 28.858 28.698 0.160 1
1 556 . 7 0 1 A 59 59 GLN N N 59 119.730 119.947 -0.217 1
1 558 . 7 0 1 A 60 60 ALA H H 60 8.043 7.709 0.334 1
1 559 . 7 0 1 A 60 60 ALA HA H 60 4.090 4.050 0.040 1
1 563 . 7 0 1 A 60 60 ALA CA C 60 55.496 55.219 0.277 1
1 564 . 7 0 1 A 60 60 ALA CB C 60 19.168 18.545 0.623 1
1 565 . 7 0 1 A 60 60 ALA N N 60 124.010 120.624 3.386 1
1 566 . 7 0 1 A 61 61 MET H H 61 8.690 8.454 0.236 1
1 567 . 7 0 1 A 61 61 MET HA H 61 4.240 3.862 0.378 1
1 571 . 7 0 1 A 61 61 MET CA C 61 59.964 58.013 1.951 1
1 572 . 7 0 1 A 61 61 MET CB C 61 34.709 32.217 2.492 1
1 574 . 7 0 1 A 61 61 MET N N 61 114.840 117.186 -2.346 1
1 575 . 7 0 1 A 62 62 SER H H 62 7.697 8.173 -0.476 1
1 576 . 7 0 1 A 62 62 SER HA H 62 4.527 3.649 0.878 1
1 579 . 7 0 1 A 62 62 SER CA C 62 61.590 60.932 0.658 1
1 580 . 7 0 1 A 62 62 SER CB C 62 63.726 63.205 0.521 1
1 581 . 7 0 1 A 62 62 SER N N 62 115.290 114.729 0.561 1
1 582 . 7 0 1 A 63 63 VAL H H 63 6.876 7.723 -0.847 1
1 583 . 7 0 1 A 63 63 VAL HA H 63 3.366 3.738 -0.372 1
1 591 . 7 0 1 A 63 63 VAL CA C 63 65.247 65.859 -0.612 1
1 592 . 7 0 1 A 63 63 VAL CB C 63 32.621 31.651 0.970 1
1 595 . 7 0 1 A 63 63 VAL N N 63 120.720 121.327 -0.607 1
1 596 . 7 0 1 A 64 64 TYR H H 64 6.677 7.685 -1.008 1
1 597 . 7 0 1 A 64 64 TYR HA H 64 4.274 4.311 -0.037 1
1 602 . 7 0 1 A 64 64 TYR CA C 64 57.735 60.052 -2.317 1
1 603 . 7 0 1 A 64 64 TYR CB C 64 42.007 38.833 3.174 1
1 606 . 7 0 1 A 64 64 TYR N N 64 115.320 118.681 -3.361 1
1 607 . 7 0 1 A 65 65 PHE H H 65 8.052 7.745 0.307 1
1 608 . 7 0 1 A 65 65 PHE HA H 65 5.160 5.076 0.084 1
1 614 . 7 0 1 A 65 65 PHE CA C 65 56.486 55.660 0.826 1
1 615 . 7 0 1 A 65 65 PHE CB C 65 43.296 40.891 2.405 1
1 619 . 7 0 1 A 65 65 PHE N N 65 117.410 116.926 0.484 1
1 620 . 7 0 1 A 66 66 THR H H 66 8.302 8.855 -0.553 1
1 621 . 7 0 1 A 66 66 THR HA H 66 4.657 4.962 -0.305 1
1 626 . 7 0 1 A 66 66 THR CA C 66 60.932 60.133 0.799 1
1 627 . 7 0 1 A 66 66 THR CB C 66 71.138 72.047 -0.909 1
1 629 . 7 0 1 A 66 66 THR N N 66 111.430 112.251 -0.821 1
1 630 . 7 0 1 A 67 67 ASN H H 67 9.025 9.158 -0.133 1
1 631 . 7 0 1 A 67 67 ASN HA H 67 4.223 4.435 -0.212 1
1 636 . 7 0 1 A 67 67 ASN CA C 67 57.459 56.966 0.493 1
1 637 . 7 0 1 A 67 67 ASN CB C 67 38.180 38.551 -0.371 1
1 638 . 7 0 1 A 67 67 ASN N N 67 120.120 120.406 -0.286 1
1 640 . 7 0 1 A 68 68 GLU H H 68 8.403 8.169 0.234 1
1 641 . 7 0 1 A 68 68 GLU HA H 68 3.956 4.046 -0.090 1
1 645 . 7 0 1 A 68 68 GLU CA C 68 59.700 58.883 0.817 1
1 646 . 7 0 1 A 68 68 GLU CB C 68 28.105 29.013 -0.908 1
1 648 . 7 0 1 A 68 68 GLU N N 68 120.220 117.298 2.922 1
1 649 . 7 0 1 A 69 69 GLN H H 69 7.411 8.004 -0.593 1
1 650 . 7 0 1 A 69 69 GLN HA H 69 3.822 4.187 -0.365 1
1 657 . 7 0 1 A 69 69 GLN CA C 69 58.952 58.624 0.328 1
1 658 . 7 0 1 A 69 69 GLN CB C 69 28.418 28.174 0.244 1
1 659 . 7 0 1 A 69 69 GLN N N 69 120.940 119.478 1.462 1
1 661 . 7 0 1 A 70 70 ILE H H 70 8.327 7.707 0.620 1
1 662 . 7 0 1 A 70 70 ILE HA H 70 3.036 3.666 -0.630 1
1 671 . 7 0 1 A 70 70 ILE CA C 70 66.926 62.110 4.816 1
1 672 . 7 0 1 A 70 70 ILE CB C 70 38.603 37.471 1.132 1
1 676 . 7 0 1 A 70 70 ILE N N 70 120.560 119.454 1.106 1
1 677 . 7 0 1 A 71 71 LYS H H 71 7.554 7.953 -0.399 1
1 678 . 7 0 1 A 71 71 LYS HA H 71 3.909 3.919 -0.010 1
1 681 . 7 0 1 A 71 71 LYS CA C 71 60.156 59.222 0.934 1
1 682 . 7 0 1 A 71 71 LYS CB C 71 32.294 32.085 0.209 1
1 683 . 7 0 1 A 71 71 LYS N N 71 121.040 121.830 -0.790 1
1 684 . 7 0 1 A 72 72 GLU H H 72 7.885 7.977 -0.092 1
1 685 . 7 0 1 A 72 72 GLU HA H 72 3.989 4.078 -0.089 1
1 688 . 7 0 1 A 72 72 GLU CA C 72 60.266 58.930 1.336 1
1 689 . 7 0 1 A 72 72 GLU CB C 72 30.213 29.438 0.775 1
1 691 . 7 0 1 A 72 72 GLU N N 72 119.670 118.978 0.692 1
1 692 . 7 0 1 A 73 73 ILE H H 73 8.193 7.799 0.394 1
1 693 . 7 0 1 A 73 73 ILE HA H 73 3.312 3.997 -0.685 1
1 703 . 7 0 1 A 73 73 ILE CA C 73 66.520 63.221 3.299 1
1 704 . 7 0 1 A 73 73 ILE CB C 73 38.344 37.475 0.869 1
1 708 . 7 0 1 A 73 73 ILE N N 73 121.390 120.075 1.315 1
1 709 . 7 0 1 A 74 74 HIS H H 74 8.624 8.089 0.535 1
1 710 . 7 0 1 A 74 74 HIS HA H 74 4.174 4.494 -0.320 1
1 714 . 7 0 1 A 74 74 HIS CA C 74 59.179 59.975 -0.796 1
1 715 . 7 0 1 A 74 74 HIS CB C 74 28.498 30.110 -1.612 1
1 718 . 7 0 1 A 74 74 HIS N N 74 119.430 121.913 -2.483 1
1 719 . 7 0 1 A 75 75 ASP H H 75 8.824 8.275 0.549 1
1 720 . 7 0 1 A 75 75 ASP HA H 75 4.276 4.336 -0.060 1
1 722 . 7 0 1 A 75 75 ASP CA C 75 56.474 57.666 -1.192 1
1 723 . 7 0 1 A 75 75 ASP CB C 75 38.100 40.872 -2.772 1
1 724 . 7 0 1 A 75 75 ASP N N 75 119.980 118.977 1.003 1
1 725 . 7 0 1 A 76 76 ALA H H 76 8.064 8.469 -0.405 1
1 726 . 7 0 1 A 76 76 ALA HA H 76 4.012 4.076 -0.064 1
1 730 . 7 0 1 A 76 76 ALA CA C 76 54.988 55.156 -0.168 1
1 731 . 7 0 1 A 76 76 ALA CB C 76 20.747 18.117 2.630 1
1 732 . 7 0 1 A 76 76 ALA N N 76 125.030 120.929 4.101 1
1 733 . 7 0 1 A 77 77 ALA H H 77 8.659 8.335 0.324 1
1 734 . 7 0 1 A 77 77 ALA HA H 77 3.613 4.926 -1.313 1
1 738 . 7 0 1 A 77 77 ALA CA C 77 55.772 53.514 2.258 1
1 739 . 7 0 1 A 77 77 ALA CB C 77 18.217 18.858 -0.641 1
1 740 . 7 0 1 A 77 77 ALA N N 77 122.060 120.000 2.060 1
1 741 . 7 0 1 A 78 78 THR H H 78 7.651 7.479 0.172 1
1 742 . 7 0 1 A 78 78 THR HA H 78 3.762 4.008 -0.246 1
1 747 . 7 0 1 A 78 78 THR CA C 78 66.360 64.826 1.534 1
1 748 . 7 0 1 A 78 78 THR CB C 78 68.873 69.386 -0.513 1
1 750 . 7 0 1 A 78 78 THR N N 78 113.580 111.571 2.009 1
1 751 . 7 0 1 A 79 79 ALA H H 79 7.291 7.927 -0.636 1
1 752 . 7 0 1 A 79 79 ALA HA H 79 4.022 4.280 -0.258 1
1 756 . 7 0 1 A 79 79 ALA CA C 79 54.713 51.787 2.926 1
1 757 . 7 0 1 A 79 79 ALA CB C 79 18.695 18.775 -0.080 1
1 758 . 7 0 1 A 79 79 ALA N N 79 123.330 118.847 4.483 1
1 759 . 7 0 1 A 80 80 CYS H H 80 7.781 8.091 -0.310 1
1 760 . 7 0 1 A 80 80 CYS HA H 80 4.295 5.183 -0.888 1
1 762 . 7 0 1 A 80 80 CYS CA C 80 57.577 57.070 0.507 1
1 763 . 7 0 1 A 80 80 CYS CB C 80 43.192 40.036 3.156 1
1 764 . 7 0 1 A 80 80 CYS N N 80 115.190 114.913 0.277 1
1 765 . 7 0 1 A 81 81 ASP H H 81 7.323 7.610 -0.287 1
1 766 . 7 0 1 A 81 81 ASP HA H 81 4.743 5.128 -0.385 1
1 769 . 7 0 1 A 81 81 ASP CA C 81 52.419 51.394 1.025 1
1 770 . 7 0 1 A 81 81 ASP CB C 81 40.376 41.350 -0.974 1
1 771 . 7 0 1 A 81 81 ASP N N 81 121.570 120.771 0.799 1
1 772 . 7 0 1 A 82 82 PRO HA H 82 4.312 4.637 -0.325 1
1 777 . 7 0 1 A 82 82 PRO CA C 82 64.427 63.982 0.445 1
1 778 . 7 0 1 A 82 82 PRO CB C 82 32.685 32.196 0.489 1
1 780 . 7 0 1 A 83 83 GLU H H 83 8.036 7.902 0.134 1
1 781 . 7 0 1 A 83 83 GLU HA H 83 4.126 4.584 -0.458 1
1 785 . 7 0 1 A 83 83 GLU CA C 83 56.523 55.789 0.734 1
1 786 . 7 0 1 A 83 83 GLU CB C 83 28.819 30.613 -1.794 1
1 788 . 7 0 1 A 83 83 GLU N N 83 118.550 117.717 0.833 1
1 789 . 7 0 1 A 84 84 ALA H H 84 7.695 8.426 -0.731 1
1 790 . 7 0 1 A 84 84 ALA HA H 84 4.083 4.193 -0.110 1
1 794 . 7 0 1 A 84 84 ALA CA C 84 52.963 54.091 -1.128 1
1 795 . 7 0 1 A 84 84 ALA CB C 84 19.516 19.107 0.409 1
1 796 . 7 0 1 A 84 84 ALA N N 84 123.730 124.076 -0.346 1
1 797 . 7 0 1 A 85 85 HIS H H 85 8.078 8.399 -0.321 1
1 798 . 7 0 1 A 85 85 HIS HA H 85 4.529 4.771 -0.242 1
1 803 . 7 0 1 A 85 85 HIS CA C 85 55.480 57.142 -1.662 1
1 804 . 7 0 1 A 85 85 HIS CB C 85 29.115 32.177 -3.062 1
1 807 . 7 0 1 A 85 85 HIS N N 85 117.030 111.911 5.119 1
1 808 . 7 0 1 A 86 86 HIS H H 86 8.352 7.862 0.490 1
1 809 . 7 0 1 A 86 86 HIS HA H 86 4.596 4.806 -0.210 1
1 814 . 7 0 1 A 86 86 HIS CA C 86 55.496 54.828 0.668 1
1 815 . 7 0 1 A 86 86 HIS CB C 86 29.414 31.318 -1.904 1
1 818 . 7 0 1 A 86 86 HIS N N 86 120.170 113.577 6.593 1
1 819 . 7 0 1 A 87 87 GLU H H 87 8.300 8.725 -0.425 1
1 820 . 7 0 1 A 87 87 GLU HA H 87 4.194 4.574 -0.380 1
1 823 . 7 0 1 A 87 87 GLU CA C 87 56.264 54.422 1.842 1
1 824 . 7 0 1 A 87 87 GLU CB C 87 29.329 33.289 -3.960 1
1 826 . 7 0 1 A 87 87 GLU N N 87 121.850 116.862 4.988 1
1 827 . 7 0 1 A 88 88 HIS H H 88 8.524 9.113 -0.589 1
1 828 . 7 0 1 A 88 88 HIS HA H 88 4.597 4.118 0.479 1
1 832 . 7 0 1 A 88 88 HIS CA C 88 55.621 56.832 -1.211 1
1 833 . 7 0 1 A 88 88 HIS CB C 88 29.150 28.256 0.894 1
1 836 . 7 0 1 A 88 88 HIS N N 88 119.750 118.729 1.021 1
1 837 . 7 0 1 A 89 89 ASP H H 89 8.343 8.755 -0.412 1
1 838 . 7 0 1 A 89 89 ASP HA H 89 4.579 4.249 0.330 1
1 840 . 7 0 1 A 89 89 ASP CA C 89 53.805 56.245 -2.440 1
1 841 . 7 0 1 A 89 89 ASP CB C 89 38.560 39.434 -0.874 1
1 842 . 7 0 1 A 89 89 ASP N N 89 120.950 113.107 7.843 1
1 9 . 8 0 1 A 2 2 HIS H H 2 8.902 9.079 -0.177 1
1 10 . 8 0 1 A 2 2 HIS HA H 2 4.665 4.333 0.332 1
1 14 . 8 0 1 A 2 2 HIS CA C 2 55.744 56.252 -0.508 1
1 15 . 8 0 1 A 2 2 HIS CB C 2 29.481 28.928 0.553 1
1 18 . 8 0 1 A 2 2 HIS N N 2 122.160 126.739 -4.579 1
1 19 . 8 0 1 A 3 3 GLN H H 3 8.624 8.180 0.444 1
1 20 . 8 0 1 A 3 3 GLN HA H 3 4.265 4.292 -0.027 1
1 24 . 8 0 1 A 3 3 GLN CA C 3 55.961 56.455 -0.494 1
1 25 . 8 0 1 A 3 3 GLN CB C 3 29.727 26.352 3.375 1
1 27 . 8 0 1 A 3 3 GLN N N 3 123.710 122.955 0.755 1
1 29 . 8 0 1 A 4 4 GLU H H 4 8.499 7.472 1.027 1
1 30 . 8 0 1 A 4 4 GLU HA H 4 4.250 4.456 -0.206 1
1 33 . 8 0 1 A 4 4 GLU CA C 4 56.888 54.380 2.508 1
1 34 . 8 0 1 A 4 4 GLU CB C 4 29.316 31.488 -2.172 1
1 36 . 8 0 1 A 4 4 GLU N N 4 123.160 119.949 3.211 1
1 37 . 8 0 1 A 5 5 LEU H H 5 8.464 8.626 -0.162 1
1 38 . 8 0 1 A 5 5 LEU HA H 5 4.004 4.086 -0.082 1
1 50 . 8 0 1 A 5 5 LEU N N 5 123.070 121.013 2.057 1
1 51 . 8 0 1 A 6 6 CYS H H 6 7.980 7.588 0.392 1
1 52 . 8 0 1 A 6 6 CYS HA H 6 4.565 4.585 -0.020 1
1 55 . 8 0 1 A 6 6 CYS N N 6 113.540 116.576 -3.036 1
1 56 . 8 0 1 A 7 7 THR H H 7 7.639 7.683 -0.044 1
1 57 . 8 0 1 A 7 7 THR HA H 7 4.344 4.159 0.185 1
1 62 . 8 0 1 A 7 7 THR CA C 7 61.772 64.557 -2.785 1
1 63 . 8 0 1 A 7 7 THR CB C 7 69.825 69.714 0.111 1
1 65 . 8 0 1 A 7 7 THR N N 7 108.740 114.587 -5.847 1
1 66 . 8 0 1 A 8 8 LYS H H 8 7.380 7.930 -0.550 1
1 67 . 8 0 1 A 8 8 LYS HA H 8 4.174 4.296 -0.122 1
1 72 . 8 0 1 A 8 8 LYS CA C 8 56.632 55.200 1.432 1
1 73 . 8 0 1 A 8 8 LYS CB C 8 34.166 31.343 2.823 1
1 75 . 8 0 1 A 8 8 LYS N N 8 122.500 119.411 3.089 1
1 76 . 8 0 1 A 9 9 GLY H H 9 8.554 8.641 -0.087 1
1 77 . 8 0 1 A 9 9 GLY HA2 H 9 4.027 3.802 0.225 1
1 78 . 8 0 1 A 9 9 GLY HA3 H 9 3.868 3.803 0.065 1
1 79 . 8 0 1 A 9 9 GLY CA C 9 45.101 46.677 -1.576 1
1 80 . 8 0 1 A 9 9 GLY N N 9 108.960 115.025 -6.065 1
1 81 . 8 0 1 A 10 10 ASP H H 10 8.455 9.082 -0.627 1
1 82 . 8 0 1 A 10 10 ASP HA H 10 4.146 4.479 -0.333 1
1 84 . 8 0 1 A 10 10 ASP CA C 10 57.568 56.339 1.229 1
1 85 . 8 0 1 A 10 10 ASP CB C 10 38.723 39.894 -1.171 1
1 86 . 8 0 1 A 10 10 ASP N N 10 118.550 125.729 -7.179 1
1 87 . 8 0 1 A 11 11 ASP H H 11 8.538 8.336 0.202 1
1 88 . 8 0 1 A 11 11 ASP HA H 11 4.262 4.378 -0.116 1
1 90 . 8 0 1 A 11 11 ASP CA C 11 56.696 57.163 -0.467 1
1 91 . 8 0 1 A 11 11 ASP CB C 11 37.812 40.661 -2.849 1
1 92 . 8 0 1 A 11 11 ASP N N 11 118.150 120.641 -2.491 1
1 93 . 8 0 1 A 12 12 ALA H H 12 7.935 7.554 0.381 1
1 94 . 8 0 1 A 12 12 ALA HA H 12 4.052 4.095 -0.043 1
1 98 . 8 0 1 A 12 12 ALA CA C 12 55.104 55.057 0.047 1
1 99 . 8 0 1 A 12 12 ALA CB C 12 19.122 18.391 0.731 1
1 100 . 8 0 1 A 12 12 ALA N N 12 123.880 121.816 2.064 1
1 101 . 8 0 1 A 13 13 LEU H H 13 8.367 7.870 0.497 1
1 102 . 8 0 1 A 13 13 LEU HA H 13 4.524 4.095 0.429 1
1 104 . 8 0 1 A 13 13 LEU CA C 13 54.138 57.334 -3.196 1
1 105 . 8 0 1 A 13 13 LEU CB C 13 39.063 41.732 -2.669 1
1 106 . 8 0 1 A 13 13 LEU N N 13 120.800 119.692 1.108 1
1 107 . 8 0 1 A 14 14 VAL H H 14 8.127 8.067 0.060 1
1 108 . 8 0 1 A 14 14 VAL HA H 14 3.354 3.531 -0.177 1
1 116 . 8 0 1 A 14 14 VAL CA C 14 67.895 66.555 1.340 1
1 117 . 8 0 1 A 14 14 VAL CB C 14 32.471 31.714 0.757 1
1 120 . 8 0 1 A 14 14 VAL N N 14 121.290 118.957 2.333 1
1 121 . 8 0 1 A 15 15 THR H H 15 7.813 7.972 -0.159 1
1 122 . 8 0 1 A 15 15 THR HA H 15 3.824 3.789 0.035 1
1 127 . 8 0 1 A 15 15 THR CA C 15 66.838 67.078 -0.240 1
1 128 . 8 0 1 A 15 15 THR CB C 15 69.152 68.722 0.430 1
1 130 . 8 0 1 A 15 15 THR N N 15 115.770 116.243 -0.473 1
1 131 . 8 0 1 A 16 16 GLU H H 16 8.201 8.707 -0.506 1
1 132 . 8 0 1 A 16 16 GLU HA H 16 4.134 3.990 0.144 1
1 136 . 8 0 1 A 16 16 GLU CA C 16 60.219 59.310 0.909 1
1 137 . 8 0 1 A 16 16 GLU CB C 16 27.443 29.183 -1.740 1
1 139 . 8 0 1 A 16 16 GLU N N 16 123.330 119.520 3.810 1
1 140 . 8 0 1 A 17 17 LEU H H 17 8.637 8.233 0.404 1
1 141 . 8 0 1 A 17 17 LEU HA H 17 3.779 3.985 -0.206 1
1 145 . 8 0 1 A 17 17 LEU CA C 17 58.646 58.083 0.563 1
1 146 . 8 0 1 A 17 17 LEU CB C 17 41.289 41.072 0.217 1
1 147 . 8 0 1 A 17 17 LEU N N 17 119.350 119.056 0.294 1
1 148 . 8 0 1 A 18 18 GLU H H 18 7.903 9.372 -1.469 1
1 149 . 8 0 1 A 18 18 GLU HA H 18 4.048 4.114 -0.066 1
1 153 . 8 0 1 A 18 18 GLU CA C 18 59.140 58.561 0.579 1
1 154 . 8 0 1 A 18 18 GLU CB C 18 27.587 27.900 -0.313 1
1 156 . 8 0 1 A 18 18 GLU N N 18 122.730 121.085 1.645 1
1 157 . 8 0 1 A 19 19 CYS H H 19 7.231 7.673 -0.442 1
1 158 . 8 0 1 A 19 19 CYS HA H 19 4.135 4.681 -0.546 1
1 161 . 8 0 1 A 19 19 CYS CA C 19 60.041 55.949 4.092 1
1 162 . 8 0 1 A 19 19 CYS CB C 19 39.419 42.579 -3.160 1
1 163 . 8 0 1 A 19 19 CYS N N 19 120.230 116.710 3.520 1
1 164 . 8 0 1 A 20 20 ILE H H 20 8.433 7.560 0.873 1
1 165 . 8 0 1 A 20 20 ILE HA H 20 3.288 4.038 -0.750 1
1 174 . 8 0 1 A 20 20 ILE CA C 20 66.135 63.754 2.381 1
1 175 . 8 0 1 A 20 20 ILE CB C 20 39.423 38.501 0.922 1
1 179 . 8 0 1 A 20 20 ILE N N 20 122.030 119.516 2.514 1
1 180 . 8 0 1 A 21 21 ARG H H 21 7.644 8.317 -0.673 1
1 181 . 8 0 1 A 21 21 ARG HA H 21 3.823 4.286 -0.463 1
1 183 . 8 0 1 A 21 21 ARG CA C 21 59.557 57.698 1.859 1
1 184 . 8 0 1 A 21 21 ARG CB C 21 30.680 30.426 0.254 1
1 187 . 8 0 1 A 21 21 ARG N N 21 119.330 120.684 -1.354 1
1 188 . 8 0 1 A 22 22 LEU H H 22 6.877 7.726 -0.849 1
1 189 . 8 0 1 A 22 22 LEU HA H 22 4.111 4.225 -0.114 1
1 199 . 8 0 1 A 22 22 LEU CA C 22 56.458 54.043 2.415 1
1 200 . 8 0 1 A 22 22 LEU CB C 22 42.824 41.067 1.757 1
1 204 . 8 0 1 A 22 22 LEU N N 22 114.780 117.403 -2.623 1
1 205 . 8 0 1 A 23 23 ARG H H 23 7.570 8.173 -0.603 1
1 206 . 8 0 1 A 23 23 ARG HA H 23 4.384 4.104 0.280 1
1 212 . 8 0 1 A 23 23 ARG CA C 23 56.733 57.482 -0.749 1
1 213 . 8 0 1 A 23 23 ARG CB C 23 33.160 29.907 3.253 1
1 216 . 8 0 1 A 23 23 ARG N N 23 117.100 118.820 -1.720 1
1 218 . 8 0 1 A 24 24 ILE H H 24 7.041 8.443 -1.402 1
1 219 . 8 0 1 A 24 24 ILE HA H 24 4.653 3.948 0.705 1
1 229 . 8 0 1 A 24 24 ILE CA C 24 60.889 63.681 -2.792 1
1 230 . 8 0 1 A 24 24 ILE CB C 24 40.480 36.694 3.786 1
1 234 . 8 0 1 A 24 24 ILE N N 24 112.510 117.420 -4.910 1
1 235 . 8 0 1 A 25 25 SER H H 25 8.441 8.434 0.007 1
1 236 . 8 0 1 A 25 25 SER HA H 25 4.572 4.662 -0.090 1
1 239 . 8 0 1 A 25 25 SER CA C 25 58.047 59.421 -1.374 1
1 240 . 8 0 1 A 25 25 SER CB C 25 63.703 65.048 -1.345 1
1 241 . 8 0 1 A 25 25 SER N N 25 116.820 120.779 -3.959 1
1 242 . 8 0 1 A 26 26 PRO HA H 26 4.457 4.502 -0.045 1
1 248 . 8 0 1 A 26 26 PRO CA C 26 66.703 62.442 4.261 1
1 249 . 8 0 1 A 26 26 PRO CB C 26 32.374 33.309 -0.935 1
1 252 . 8 0 1 A 27 27 GLU H H 27 8.543 8.594 -0.051 1
1 253 . 8 0 1 A 27 27 GLU HA H 27 4.170 4.072 0.098 1
1 257 . 8 0 1 A 27 27 GLU CA C 27 60.003 58.995 1.008 1
1 258 . 8 0 1 A 27 27 GLU CB C 27 27.944 29.077 -1.133 1
1 260 . 8 0 1 A 27 27 GLU N N 27 117.750 121.191 -3.441 1
1 261 . 8 0 1 A 28 28 THR H H 28 8.099 7.850 0.249 1
1 262 . 8 0 1 A 28 28 THR HA H 28 4.178 3.087 1.091 1
1 267 . 8 0 1 A 28 28 THR CA C 28 67.201 65.774 1.427 1
1 268 . 8 0 1 A 28 28 THR CB C 28 67.314 69.239 -1.925 1
1 270 . 8 0 1 A 28 28 THR N N 28 122.040 115.417 6.623 1
1 271 . 8 0 1 A 29 29 ASN H H 29 8.621 7.915 0.706 1
1 272 . 8 0 1 A 29 29 ASN HA H 29 4.522 4.455 0.067 1
1 276 . 8 0 1 A 29 29 ASN CA C 29 58.319 56.160 2.159 1
1 277 . 8 0 1 A 29 29 ASN CB C 29 39.553 38.388 1.165 1
1 278 . 8 0 1 A 29 29 ASN N N 29 122.850 118.872 3.978 1
1 280 . 8 0 1 A 30 30 ALA H H 30 8.185 8.004 0.181 1
1 281 . 8 0 1 A 30 30 ALA HA H 30 4.141 4.048 0.093 1
1 285 . 8 0 1 A 30 30 ALA CA C 30 55.716 54.944 0.772 1
1 286 . 8 0 1 A 30 30 ALA CB C 30 17.815 18.391 -0.576 1
1 287 . 8 0 1 A 30 30 ALA N N 30 123.330 122.220 1.110 1
1 288 . 8 0 1 A 31 31 ALA H H 31 7.852 8.250 -0.398 1
1 289 . 8 0 1 A 31 31 ALA HA H 31 4.182 3.651 0.531 1
1 293 . 8 0 1 A 31 31 ALA CA C 31 55.395 54.760 0.635 1
1 294 . 8 0 1 A 31 31 ALA CB C 31 18.712 18.459 0.253 1
1 295 . 8 0 1 A 31 31 ALA N N 31 122.920 119.497 3.423 1
1 296 . 8 0 1 A 32 32 PHE H H 32 8.497 7.420 1.077 1
1 297 . 8 0 1 A 32 32 PHE HA H 32 4.300 4.283 0.017 1
1 303 . 8 0 1 A 32 32 PHE CA C 32 59.972 61.375 -1.403 1
1 304 . 8 0 1 A 32 32 PHE CB C 32 39.152 37.993 1.159 1
1 308 . 8 0 1 A 32 32 PHE N N 32 123.980 116.328 7.652 1
1 309 . 8 0 1 A 33 33 ASP H H 33 8.380 8.133 0.247 1
1 310 . 8 0 1 A 33 33 ASP HA H 33 4.298 4.301 -0.003 1
1 313 . 8 0 1 A 33 33 ASP CA C 33 57.394 57.797 -0.403 1
1 314 . 8 0 1 A 33 33 ASP CB C 33 38.380 41.075 -2.695 1
1 315 . 8 0 1 A 33 33 ASP N N 33 119.640 120.337 -0.697 1
1 316 . 8 0 1 A 34 34 ASN H H 34 7.854 8.000 -0.146 1
1 317 . 8 0 1 A 34 34 ASN HA H 34 4.410 4.423 -0.013 1
1 321 . 8 0 1 A 34 34 ASN CA C 34 56.974 55.259 1.715 1
1 322 . 8 0 1 A 34 34 ASN CB C 34 38.740 37.218 1.522 1
1 323 . 8 0 1 A 34 34 ASN N N 34 119.710 116.061 3.649 1
1 325 . 8 0 1 A 35 35 ALA H H 35 7.743 7.935 -0.192 1
1 326 . 8 0 1 A 35 35 ALA HA H 35 2.999 3.979 -0.980 1
1 330 . 8 0 1 A 35 35 ALA CA C 35 55.881 55.056 0.825 1
1 331 . 8 0 1 A 35 35 ALA CB C 35 17.360 18.728 -1.368 1
1 332 . 8 0 1 A 35 35 ALA N N 35 123.520 122.161 1.359 1
1 333 . 8 0 1 A 36 36 VAL H H 36 7.802 9.190 -1.388 1
1 334 . 8 0 1 A 36 36 VAL HA H 36 2.973 3.493 -0.520 1
1 342 . 8 0 1 A 36 36 VAL CA C 36 67.829 66.374 1.455 1
1 343 . 8 0 1 A 36 36 VAL CB C 36 32.410 31.373 1.037 1
1 346 . 8 0 1 A 36 36 VAL N N 36 115.430 117.913 -2.483 1
1 347 . 8 0 1 A 37 37 GLN H H 37 7.027 7.918 -0.891 1
1 348 . 8 0 1 A 37 37 GLN HA H 37 4.093 3.948 0.145 1
1 353 . 8 0 1 A 37 37 GLN CA C 37 59.039 59.290 -0.251 1
1 354 . 8 0 1 A 37 37 GLN CB C 37 28.910 28.207 0.703 1
1 356 . 8 0 1 A 37 37 GLN N N 37 116.140 120.288 -4.148 1
1 358 . 8 0 1 A 38 38 GLN H H 38 8.443 7.949 0.494 1
1 359 . 8 0 1 A 38 38 GLN HA H 38 3.939 3.976 -0.037 1
1 365 . 8 0 1 A 38 38 GLN CA C 38 58.748 58.815 -0.067 1
1 366 . 8 0 1 A 38 38 GLN CB C 38 28.854 28.497 0.357 1
1 368 . 8 0 1 A 38 38 GLN N N 38 120.080 118.792 1.288 1
1 370 . 8 0 1 A 39 39 LEU H H 39 7.565 7.644 -0.079 1
1 371 . 8 0 1 A 39 39 LEU HA H 39 4.199 4.173 0.026 1
1 380 . 8 0 1 A 39 39 LEU CA C 39 54.901 56.204 -1.303 1
1 381 . 8 0 1 A 39 39 LEU CB C 39 42.208 41.865 0.343 1
1 383 . 8 0 1 A 39 39 LEU N N 39 117.930 116.850 1.080 1
1 384 . 8 0 1 A 40 40 ASN H H 40 7.976 8.072 -0.096 1
1 385 . 8 0 1 A 40 40 ASN HA H 40 4.313 4.582 -0.269 1
1 389 . 8 0 1 A 40 40 ASN CA C 40 54.625 53.911 0.714 1
1 390 . 8 0 1 A 40 40 ASN CB C 40 36.903 35.853 1.050 1
1 391 . 8 0 1 A 40 40 ASN N N 40 118.780 116.824 1.956 1
1 393 . 8 0 1 A 41 41 CYS H H 41 7.833 8.349 -0.516 1
1 394 . 8 0 1 A 41 41 CYS HA H 41 4.888 4.656 0.232 1
1 397 . 8 0 1 A 41 41 CYS CA C 41 55.148 55.910 -0.762 1
1 398 . 8 0 1 A 41 41 CYS CB C 41 42.078 42.917 -0.839 1
1 399 . 8 0 1 A 41 41 CYS N N 41 115.600 117.247 -1.647 1
1 400 . 8 0 1 A 42 42 LEU H H 42 8.371 7.981 0.390 1
1 401 . 8 0 1 A 42 42 LEU HA H 42 4.340 3.929 0.411 1
1 410 . 8 0 1 A 42 42 LEU CA C 42 55.342 57.596 -2.254 1
1 411 . 8 0 1 A 42 42 LEU CB C 42 43.358 40.329 3.029 1
1 415 . 8 0 1 A 42 42 LEU N N 42 116.770 119.335 -2.565 1
1 416 . 8 0 1 A 43 43 ASN H H 43 7.025 8.289 -1.264 1
1 417 . 8 0 1 A 43 43 ASN HA H 43 4.767 4.979 -0.212 1
1 422 . 8 0 1 A 43 43 ASN CA C 43 51.715 51.662 0.053 1
1 423 . 8 0 1 A 43 43 ASN CB C 43 41.011 39.690 1.321 1
1 424 . 8 0 1 A 43 43 ASN N N 43 111.360 115.478 -4.118 1
1 426 . 8 0 1 A 44 44 ARG H H 44 8.735 9.016 -0.281 1
1 427 . 8 0 1 A 44 44 ARG HA H 44 3.868 4.087 -0.219 1
1 431 . 8 0 1 A 44 44 ARG CA C 44 60.307 58.860 1.447 1
1 432 . 8 0 1 A 44 44 ARG CB C 44 30.895 29.919 0.976 1
1 433 . 8 0 1 A 44 44 ARG N N 44 118.870 120.957 -2.087 1
1 434 . 8 0 1 A 45 45 ALA H H 45 8.381 8.188 0.193 1
1 435 . 8 0 1 A 45 45 ALA HA H 45 3.814 4.059 -0.245 1
1 439 . 8 0 1 A 45 45 ALA CA C 45 56.384 55.294 1.090 1
1 440 . 8 0 1 A 45 45 ALA CB C 45 17.800 17.568 0.232 1
1 441 . 8 0 1 A 45 45 ALA N N 45 125.360 121.205 4.155 1
1 442 . 8 0 1 A 46 46 CYS H H 46 8.027 8.044 -0.017 1
1 443 . 8 0 1 A 46 46 CYS HA H 46 4.168 4.256 -0.088 1
1 446 . 8 0 1 A 46 46 CYS CA C 46 59.006 58.685 0.321 1
1 447 . 8 0 1 A 46 46 CYS CB C 46 33.410 41.697 -8.287 1
1 448 . 8 0 1 A 46 46 CYS N N 46 117.400 117.378 0.022 1
1 449 . 8 0 1 A 47 47 ALA H H 47 7.144 8.189 -1.045 1
1 450 . 8 0 1 A 47 47 ALA HA H 47 3.837 3.957 -0.120 1
1 454 . 8 0 1 A 47 47 ALA CA C 47 55.130 55.040 0.090 1
1 455 . 8 0 1 A 47 47 ALA CB C 47 19.618 18.741 0.877 1
1 456 . 8 0 1 A 47 47 ALA N N 47 123.130 122.601 0.529 1
1 457 . 8 0 1 A 48 48 TYR H H 48 8.841 8.178 0.663 1
1 458 . 8 0 1 A 48 48 TYR HA H 48 3.896 4.238 -0.342 1
1 462 . 8 0 1 A 48 48 TYR CA C 48 63.769 61.796 1.973 1
1 463 . 8 0 1 A 48 48 TYR CB C 48 40.446 37.288 3.158 1
1 466 . 8 0 1 A 48 48 TYR N N 48 120.860 116.338 4.522 1
1 467 . 8 0 1 A 49 49 ARG H H 49 8.501 8.580 -0.079 1
1 468 . 8 0 1 A 49 49 ARG HA H 49 3.840 3.929 -0.089 1
1 470 . 8 0 1 A 49 49 ARG CA C 49 60.324 59.583 0.741 1
1 471 . 8 0 1 A 49 49 ARG CB C 49 29.890 29.674 0.216 1
1 472 . 8 0 1 A 49 49 ARG N N 49 117.110 122.169 -5.059 1
1 473 . 8 0 1 A 50 50 LYS H H 50 7.817 7.757 0.060 1
1 474 . 8 0 1 A 50 50 LYS HA H 50 3.965 4.047 -0.082 1
1 477 . 8 0 1 A 50 50 LYS CA C 50 61.111 59.455 1.656 1
1 478 . 8 0 1 A 50 50 LYS CB C 50 33.272 32.393 0.879 1
1 479 . 8 0 1 A 50 50 LYS N N 50 119.510 119.263 0.247 1
1 480 . 8 0 1 A 51 51 MET H H 51 7.934 8.021 -0.087 1
1 481 . 8 0 1 A 51 51 MET HA H 51 4.199 3.912 0.287 1
1 484 . 8 0 1 A 51 51 MET CA C 51 60.407 58.884 1.523 1
1 485 . 8 0 1 A 51 51 MET CB C 51 33.492 32.045 1.447 1
1 487 . 8 0 1 A 51 51 MET N N 51 119.740 117.658 2.082 1
1 488 . 8 0 1 A 52 52 CYS H H 52 8.545 7.829 0.716 1
1 489 . 8 0 1 A 52 52 CYS HA H 52 4.018 4.494 -0.476 1
1 492 . 8 0 1 A 52 52 CYS CA C 52 60.109 58.785 1.324 1
1 493 . 8 0 1 A 52 52 CYS CB C 52 40.790 42.374 -1.584 1
1 494 . 8 0 1 A 52 52 CYS N N 52 119.160 117.492 1.668 1
1 495 . 8 0 1 A 53 53 ALA H H 53 7.626 8.500 -0.874 1
1 496 . 8 0 1 A 53 53 ALA HA H 53 4.182 4.185 -0.003 1
1 500 . 8 0 1 A 53 53 ALA CA C 53 54.149 54.719 -0.570 1
1 501 . 8 0 1 A 53 53 ALA CB C 53 18.492 19.001 -0.509 1
1 502 . 8 0 1 A 53 53 ALA N N 53 122.360 122.725 -0.365 1
1 503 . 8 0 1 A 54 54 THR H H 54 7.041 7.351 -0.310 1
1 504 . 8 0 1 A 54 54 THR HA H 54 4.180 4.650 -0.470 1
1 509 . 8 0 1 A 54 54 THR CA C 54 63.143 63.378 -0.235 1
1 510 . 8 0 1 A 54 54 THR CB C 54 71.301 70.624 0.677 1
1 512 . 8 0 1 A 54 54 THR N N 54 107.780 108.447 -0.667 1
1 513 . 8 0 1 A 55 55 ASN H H 55 8.071 8.009 0.062 1
1 514 . 8 0 1 A 55 55 ASN HA H 55 4.409 5.768 -1.359 1
1 518 . 8 0 1 A 55 55 ASN CA C 55 55.475 52.220 3.255 1
1 519 . 8 0 1 A 55 55 ASN CB C 55 38.226 41.642 -3.416 1
1 520 . 8 0 1 A 55 55 ASN N N 55 114.220 115.148 -0.928 1
1 522 . 8 0 1 A 56 56 ASN H H 56 7.751 8.649 -0.898 1
1 523 . 8 0 1 A 56 56 ASN HA H 56 4.598 4.967 -0.369 1
1 528 . 8 0 1 A 56 56 ASN CA C 56 53.301 53.548 -0.247 1
1 529 . 8 0 1 A 56 56 ASN CB C 56 38.408 40.255 -1.847 1
1 530 . 8 0 1 A 56 56 ASN N N 56 117.400 117.948 -0.548 1
1 532 . 8 0 1 A 57 57 LEU H H 57 8.623 8.129 0.494 1
1 533 . 8 0 1 A 57 57 LEU HA H 57 3.783 4.067 -0.284 1
1 536 . 8 0 1 A 57 57 LEU CA C 57 58.796 57.644 1.152 1
1 537 . 8 0 1 A 57 57 LEU CB C 57 42.709 41.602 1.107 1
1 538 . 8 0 1 A 57 57 LEU N N 57 127.190 121.584 5.606 1
1 539 . 8 0 1 A 58 58 GLU H H 58 8.353 8.551 -0.198 1
1 540 . 8 0 1 A 58 58 GLU HA H 58 3.792 4.552 -0.760 1
1 543 . 8 0 1 A 58 58 GLU CA C 58 60.263 58.938 1.325 1
1 544 . 8 0 1 A 58 58 GLU CB C 58 27.565 28.388 -0.823 1
1 546 . 8 0 1 A 58 58 GLU N N 58 117.370 117.061 0.309 1
1 547 . 8 0 1 A 59 59 GLN H H 59 7.434 7.755 -0.321 1
1 548 . 8 0 1 A 59 59 GLN HA H 59 3.850 4.003 -0.153 1
1 553 . 8 0 1 A 59 59 GLN CA C 59 58.858 58.996 -0.138 1
1 554 . 8 0 1 A 59 59 GLN CB C 59 28.858 28.632 0.226 1
1 556 . 8 0 1 A 59 59 GLN N N 59 119.730 119.875 -0.145 1
1 558 . 8 0 1 A 60 60 ALA H H 60 8.043 7.203 0.840 1
1 559 . 8 0 1 A 60 60 ALA HA H 60 4.090 4.151 -0.061 1
1 563 . 8 0 1 A 60 60 ALA CA C 60 55.496 54.979 0.517 1
1 564 . 8 0 1 A 60 60 ALA CB C 60 19.168 19.303 -0.135 1
1 565 . 8 0 1 A 60 60 ALA N N 60 124.010 120.731 3.279 1
1 566 . 8 0 1 A 61 61 MET H H 61 8.690 8.401 0.289 1
1 567 . 8 0 1 A 61 61 MET HA H 61 4.240 3.785 0.455 1
1 571 . 8 0 1 A 61 61 MET CA C 61 59.964 58.076 1.888 1
1 572 . 8 0 1 A 61 61 MET CB C 61 34.709 32.449 2.260 1
1 574 . 8 0 1 A 61 61 MET N N 61 114.840 117.839 -2.999 1
1 575 . 8 0 1 A 62 62 SER H H 62 7.697 7.802 -0.105 1
1 576 . 8 0 1 A 62 62 SER HA H 62 4.527 3.892 0.635 1
1 579 . 8 0 1 A 62 62 SER CA C 62 61.590 61.567 0.023 1
1 580 . 8 0 1 A 62 62 SER CB C 62 63.726 63.105 0.621 1
1 581 . 8 0 1 A 62 62 SER N N 62 115.290 115.016 0.274 1
1 582 . 8 0 1 A 63 63 VAL H H 63 6.876 7.643 -0.767 1
1 583 . 8 0 1 A 63 63 VAL HA H 63 3.366 3.620 -0.254 1
1 591 . 8 0 1 A 63 63 VAL CA C 63 65.247 66.194 -0.947 1
1 592 . 8 0 1 A 63 63 VAL CB C 63 32.621 31.510 1.111 1
1 595 . 8 0 1 A 63 63 VAL N N 63 120.720 121.458 -0.738 1
1 596 . 8 0 1 A 64 64 TYR H H 64 6.677 8.084 -1.407 1
1 597 . 8 0 1 A 64 64 TYR HA H 64 4.274 4.354 -0.080 1
1 602 . 8 0 1 A 64 64 TYR CA C 64 57.735 60.231 -2.496 1
1 603 . 8 0 1 A 64 64 TYR CB C 64 42.007 38.837 3.170 1
1 606 . 8 0 1 A 64 64 TYR N N 64 115.320 118.779 -3.459 1
1 607 . 8 0 1 A 65 65 PHE H H 65 8.052 7.542 0.510 1
1 608 . 8 0 1 A 65 65 PHE HA H 65 5.160 4.657 0.503 1
1 614 . 8 0 1 A 65 65 PHE CA C 65 56.486 56.061 0.425 1
1 615 . 8 0 1 A 65 65 PHE CB C 65 43.296 40.728 2.568 1
1 619 . 8 0 1 A 65 65 PHE N N 65 117.410 117.015 0.395 1
1 620 . 8 0 1 A 66 66 THR H H 66 8.302 9.019 -0.717 1
1 621 . 8 0 1 A 66 66 THR HA H 66 4.657 4.883 -0.226 1
1 626 . 8 0 1 A 66 66 THR CA C 66 60.932 60.340 0.592 1
1 627 . 8 0 1 A 66 66 THR CB C 66 71.138 71.930 -0.792 1
1 629 . 8 0 1 A 66 66 THR N N 66 111.430 112.622 -1.192 1
1 630 . 8 0 1 A 67 67 ASN H H 67 9.025 9.244 -0.219 1
1 631 . 8 0 1 A 67 67 ASN HA H 67 4.223 4.550 -0.327 1
1 636 . 8 0 1 A 67 67 ASN CA C 67 57.459 56.316 1.143 1
1 637 . 8 0 1 A 67 67 ASN CB C 67 38.180 37.712 0.468 1
1 638 . 8 0 1 A 67 67 ASN N N 67 120.120 119.089 1.031 1
1 640 . 8 0 1 A 68 68 GLU H H 68 8.403 8.523 -0.120 1
1 641 . 8 0 1 A 68 68 GLU HA H 68 3.956 4.060 -0.104 1
1 645 . 8 0 1 A 68 68 GLU CA C 68 59.700 59.233 0.467 1
1 646 . 8 0 1 A 68 68 GLU CB C 68 28.105 28.767 -0.662 1
1 648 . 8 0 1 A 68 68 GLU N N 68 120.220 118.632 1.588 1
1 649 . 8 0 1 A 69 69 GLN H H 69 7.411 8.075 -0.664 1
1 650 . 8 0 1 A 69 69 GLN HA H 69 3.822 4.234 -0.412 1
1 657 . 8 0 1 A 69 69 GLN CA C 69 58.952 58.783 0.169 1
1 658 . 8 0 1 A 69 69 GLN CB C 69 28.418 28.044 0.374 1
1 659 . 8 0 1 A 69 69 GLN N N 69 120.940 119.050 1.890 1
1 661 . 8 0 1 A 70 70 ILE H H 70 8.327 7.531 0.796 1
1 662 . 8 0 1 A 70 70 ILE HA H 70 3.036 3.679 -0.643 1
1 671 . 8 0 1 A 70 70 ILE CA C 70 66.926 62.120 4.806 1
1 672 . 8 0 1 A 70 70 ILE CB C 70 38.603 37.615 0.988 1
1 676 . 8 0 1 A 70 70 ILE N N 70 120.560 119.482 1.078 1
1 677 . 8 0 1 A 71 71 LYS H H 71 7.554 7.863 -0.309 1
1 678 . 8 0 1 A 71 71 LYS HA H 71 3.909 3.937 -0.028 1
1 681 . 8 0 1 A 71 71 LYS CA C 71 60.156 60.559 -0.403 1
1 682 . 8 0 1 A 71 71 LYS CB C 71 32.294 32.359 -0.065 1
1 683 . 8 0 1 A 71 71 LYS N N 71 121.040 122.031 -0.991 1
1 684 . 8 0 1 A 72 72 GLU H H 72 7.885 8.082 -0.197 1
1 685 . 8 0 1 A 72 72 GLU HA H 72 3.989 3.969 0.020 1
1 688 . 8 0 1 A 72 72 GLU CA C 72 60.266 59.040 1.226 1
1 689 . 8 0 1 A 72 72 GLU CB C 72 30.213 29.220 0.993 1
1 691 . 8 0 1 A 72 72 GLU N N 72 119.670 119.670 0.000 1
1 692 . 8 0 1 A 73 73 ILE H H 73 8.193 7.757 0.436 1
1 693 . 8 0 1 A 73 73 ILE HA H 73 3.312 3.944 -0.632 1
1 703 . 8 0 1 A 73 73 ILE CA C 73 66.520 63.337 3.183 1
1 704 . 8 0 1 A 73 73 ILE CB C 73 38.344 37.496 0.848 1
1 708 . 8 0 1 A 73 73 ILE N N 73 121.390 120.085 1.305 1
1 709 . 8 0 1 A 74 74 HIS H H 74 8.624 8.061 0.563 1
1 710 . 8 0 1 A 74 74 HIS HA H 74 4.174 4.139 0.035 1
1 714 . 8 0 1 A 74 74 HIS CA C 74 59.179 59.511 -0.332 1
1 715 . 8 0 1 A 74 74 HIS CB C 74 28.498 29.907 -1.409 1
1 718 . 8 0 1 A 74 74 HIS N N 74 119.430 121.883 -2.453 1
1 719 . 8 0 1 A 75 75 ASP H H 75 8.824 8.321 0.503 1
1 720 . 8 0 1 A 75 75 ASP HA H 75 4.276 4.225 0.051 1
1 722 . 8 0 1 A 75 75 ASP CA C 75 56.474 57.271 -0.797 1
1 723 . 8 0 1 A 75 75 ASP CB C 75 38.100 41.027 -2.927 1
1 724 . 8 0 1 A 75 75 ASP N N 75 119.980 118.859 1.121 1
1 725 . 8 0 1 A 76 76 ALA H H 76 8.064 8.287 -0.223 1
1 726 . 8 0 1 A 76 76 ALA HA H 76 4.012 4.091 -0.079 1
1 730 . 8 0 1 A 76 76 ALA CA C 76 54.988 54.992 -0.004 1
1 731 . 8 0 1 A 76 76 ALA CB C 76 20.747 18.236 2.511 1
1 732 . 8 0 1 A 76 76 ALA N N 76 125.030 120.874 4.156 1
1 733 . 8 0 1 A 77 77 ALA H H 77 8.659 8.074 0.585 1
1 734 . 8 0 1 A 77 77 ALA HA H 77 3.613 4.537 -0.924 1
1 738 . 8 0 1 A 77 77 ALA CA C 77 55.772 53.104 2.668 1
1 739 . 8 0 1 A 77 77 ALA CB C 77 18.217 18.866 -0.649 1
1 740 . 8 0 1 A 77 77 ALA N N 77 122.060 119.970 2.090 1
1 741 . 8 0 1 A 78 78 THR H H 78 7.651 7.564 0.087 1
1 742 . 8 0 1 A 78 78 THR HA H 78 3.762 3.985 -0.223 1
1 747 . 8 0 1 A 78 78 THR CA C 78 66.360 65.343 1.017 1
1 748 . 8 0 1 A 78 78 THR CB C 78 68.873 69.197 -0.324 1
1 750 . 8 0 1 A 78 78 THR N N 78 113.580 112.624 0.956 1
1 751 . 8 0 1 A 79 79 ALA H H 79 7.291 7.505 -0.214 1
1 752 . 8 0 1 A 79 79 ALA HA H 79 4.022 4.265 -0.243 1
1 756 . 8 0 1 A 79 79 ALA CA C 79 54.713 51.721 2.992 1
1 757 . 8 0 1 A 79 79 ALA CB C 79 18.695 18.736 -0.041 1
1 758 . 8 0 1 A 79 79 ALA N N 79 123.330 118.793 4.537 1
1 759 . 8 0 1 A 80 80 CYS H H 80 7.781 7.994 -0.213 1
1 760 . 8 0 1 A 80 80 CYS HA H 80 4.295 5.105 -0.810 1
1 762 . 8 0 1 A 80 80 CYS CA C 80 57.577 57.217 0.360 1
1 763 . 8 0 1 A 80 80 CYS CB C 80 43.192 39.961 3.231 1
1 764 . 8 0 1 A 80 80 CYS N N 80 115.190 114.882 0.308 1
1 765 . 8 0 1 A 81 81 ASP H H 81 7.323 8.038 -0.715 1
1 766 . 8 0 1 A 81 81 ASP HA H 81 4.743 5.010 -0.267 1
1 769 . 8 0 1 A 81 81 ASP CA C 81 52.419 51.772 0.647 1
1 770 . 8 0 1 A 81 81 ASP CB C 81 40.376 41.095 -0.719 1
1 771 . 8 0 1 A 81 81 ASP N N 81 121.570 120.905 0.665 1
1 772 . 8 0 1 A 82 82 PRO HA H 82 4.312 4.409 -0.097 1
1 777 . 8 0 1 A 82 82 PRO CA C 82 64.427 63.801 0.626 1
1 778 . 8 0 1 A 82 82 PRO CB C 82 32.685 32.017 0.668 1
1 780 . 8 0 1 A 83 83 GLU H H 83 8.036 8.339 -0.303 1
1 781 . 8 0 1 A 83 83 GLU HA H 83 4.126 4.498 -0.372 1
1 785 . 8 0 1 A 83 83 GLU CA C 83 56.523 56.619 -0.096 1
1 786 . 8 0 1 A 83 83 GLU CB C 83 28.819 30.183 -1.364 1
1 788 . 8 0 1 A 83 83 GLU N N 83 118.550 117.532 1.018 1
1 789 . 8 0 1 A 84 84 ALA H H 84 7.695 7.077 0.618 1
1 790 . 8 0 1 A 84 84 ALA HA H 84 4.083 4.209 -0.126 1
1 794 . 8 0 1 A 84 84 ALA CA C 84 52.963 53.020 -0.057 1
1 795 . 8 0 1 A 84 84 ALA CB C 84 19.516 19.651 -0.135 1
1 796 . 8 0 1 A 84 84 ALA N N 84 123.730 120.854 2.876 1
1 797 . 8 0 1 A 85 85 HIS H H 85 8.078 7.883 0.195 1
1 798 . 8 0 1 A 85 85 HIS HA H 85 4.529 4.087 0.442 1
1 803 . 8 0 1 A 85 85 HIS CA C 85 55.480 57.061 -1.581 1
1 804 . 8 0 1 A 85 85 HIS CB C 85 29.115 26.507 2.608 1
1 807 . 8 0 1 A 85 85 HIS N N 85 117.030 111.819 5.211 1
1 808 . 8 0 1 A 86 86 HIS H H 86 8.352 7.776 0.576 1
1 809 . 8 0 1 A 86 86 HIS HA H 86 4.596 4.715 -0.119 1
1 814 . 8 0 1 A 86 86 HIS CA C 86 55.496 55.942 -0.446 1
1 815 . 8 0 1 A 86 86 HIS CB C 86 29.414 30.239 -0.825 1
1 818 . 8 0 1 A 86 86 HIS N N 86 120.170 117.198 2.972 1
1 819 . 8 0 1 A 87 87 GLU H H 87 8.300 7.794 0.506 1
1 820 . 8 0 1 A 87 87 GLU HA H 87 4.194 4.652 -0.458 1
1 823 . 8 0 1 A 87 87 GLU CA C 87 56.264 55.525 0.739 1
1 824 . 8 0 1 A 87 87 GLU CB C 87 29.329 30.888 -1.559 1
1 826 . 8 0 1 A 87 87 GLU N N 87 121.850 119.926 1.924 1
1 827 . 8 0 1 A 88 88 HIS H H 88 8.524 8.684 -0.160 1
1 828 . 8 0 1 A 88 88 HIS HA H 88 4.597 4.367 0.230 1
1 832 . 8 0 1 A 88 88 HIS CA C 88 55.621 57.594 -1.973 1
1 833 . 8 0 1 A 88 88 HIS CB C 88 29.150 29.234 -0.084 1
1 836 . 8 0 1 A 88 88 HIS N N 88 119.750 117.038 2.712 1
1 837 . 8 0 1 A 89 89 ASP H H 89 8.343 8.683 -0.340 1
1 838 . 8 0 1 A 89 89 ASP HA H 89 4.579 4.825 -0.246 1
1 840 . 8 0 1 A 89 89 ASP CA C 89 53.805 53.742 0.063 1
1 841 . 8 0 1 A 89 89 ASP CB C 89 38.560 42.908 -4.348 1
1 842 . 8 0 1 A 89 89 ASP N N 89 120.950 119.175 1.775 1
1 9 . 9 0 1 A 2 2 HIS H H 2 8.902 8.799 0.103 1
1 10 . 9 0 1 A 2 2 HIS HA H 2 4.665 4.268 0.397 1
1 14 . 9 0 1 A 2 2 HIS CA C 2 55.744 58.066 -2.322 1
1 15 . 9 0 1 A 2 2 HIS CB C 2 29.481 29.209 0.272 1
1 18 . 9 0 1 A 2 2 HIS N N 2 122.160 124.798 -2.638 1
1 19 . 9 0 1 A 3 3 GLN H H 3 8.624 8.470 0.154 1
1 20 . 9 0 1 A 3 3 GLN HA H 3 4.265 4.031 0.234 1
1 24 . 9 0 1 A 3 3 GLN CA C 3 55.961 58.985 -3.024 1
1 25 . 9 0 1 A 3 3 GLN CB C 3 29.727 28.547 1.180 1
1 27 . 9 0 1 A 3 3 GLN N N 3 123.710 119.107 4.603 1
1 29 . 9 0 1 A 4 4 GLU H H 4 8.499 7.904 0.595 1
1 30 . 9 0 1 A 4 4 GLU HA H 4 4.250 4.510 -0.260 1
1 33 . 9 0 1 A 4 4 GLU CA C 4 56.888 55.126 1.762 1
1 34 . 9 0 1 A 4 4 GLU CB C 4 29.316 29.027 0.289 1
1 36 . 9 0 1 A 4 4 GLU N N 4 123.160 118.829 4.331 1
1 37 . 9 0 1 A 5 5 LEU H H 5 8.464 8.543 -0.079 1
1 38 . 9 0 1 A 5 5 LEU HA H 5 4.004 4.493 -0.489 1
1 50 . 9 0 1 A 5 5 LEU N N 5 123.070 121.657 1.413 1
1 51 . 9 0 1 A 6 6 CYS H H 6 7.980 8.015 -0.035 1
1 52 . 9 0 1 A 6 6 CYS HA H 6 4.565 4.895 -0.330 1
1 55 . 9 0 1 A 6 6 CYS N N 6 113.540 117.807 -4.267 1
1 56 . 9 0 1 A 7 7 THR H H 7 7.639 8.560 -0.921 1
1 57 . 9 0 1 A 7 7 THR HA H 7 4.344 3.814 0.530 1
1 62 . 9 0 1 A 7 7 THR CA C 7 61.772 66.130 -4.358 1
1 63 . 9 0 1 A 7 7 THR CB C 7 69.825 66.913 2.912 1
1 65 . 9 0 1 A 7 7 THR N N 7 108.740 117.562 -8.822 1
1 66 . 9 0 1 A 8 8 LYS H H 8 7.380 8.611 -1.231 1
1 67 . 9 0 1 A 8 8 LYS HA H 8 4.174 4.598 -0.424 1
1 72 . 9 0 1 A 8 8 LYS CA C 8 56.632 55.021 1.611 1
1 73 . 9 0 1 A 8 8 LYS CB C 8 34.166 33.674 0.492 1
1 75 . 9 0 1 A 8 8 LYS N N 8 122.500 119.258 3.242 1
1 76 . 9 0 1 A 9 9 GLY H H 9 8.554 8.737 -0.183 1
1 77 . 9 0 1 A 9 9 GLY HA2 H 9 4.027 3.830 0.197 1
1 78 . 9 0 1 A 9 9 GLY HA3 H 9 3.868 3.835 0.033 1
1 79 . 9 0 1 A 9 9 GLY CA C 9 45.101 46.963 -1.862 1
1 80 . 9 0 1 A 9 9 GLY N N 9 108.960 108.508 0.452 1
1 81 . 9 0 1 A 10 10 ASP H H 10 8.455 9.013 -0.558 1
1 82 . 9 0 1 A 10 10 ASP HA H 10 4.146 4.444 -0.298 1
1 84 . 9 0 1 A 10 10 ASP CA C 10 57.568 57.462 0.106 1
1 85 . 9 0 1 A 10 10 ASP CB C 10 38.723 41.743 -3.020 1
1 86 . 9 0 1 A 10 10 ASP N N 10 118.550 125.870 -7.320 1
1 87 . 9 0 1 A 11 11 ASP H H 11 8.538 7.957 0.581 1
1 88 . 9 0 1 A 11 11 ASP HA H 11 4.262 4.244 0.018 1
1 90 . 9 0 1 A 11 11 ASP CA C 11 56.696 57.989 -1.293 1
1 91 . 9 0 1 A 11 11 ASP CB C 11 37.812 41.962 -4.150 1
1 92 . 9 0 1 A 11 11 ASP N N 11 118.150 119.307 -1.157 1
1 93 . 9 0 1 A 12 12 ALA H H 12 7.935 7.667 0.268 1
1 94 . 9 0 1 A 12 12 ALA HA H 12 4.052 4.135 -0.083 1
1 98 . 9 0 1 A 12 12 ALA CA C 12 55.104 55.148 -0.044 1
1 99 . 9 0 1 A 12 12 ALA CB C 12 19.122 18.681 0.441 1
1 100 . 9 0 1 A 12 12 ALA N N 12 123.880 121.912 1.968 1
1 101 . 9 0 1 A 13 13 LEU H H 13 8.367 7.983 0.384 1
1 102 . 9 0 1 A 13 13 LEU HA H 13 4.524 4.131 0.393 1
1 104 . 9 0 1 A 13 13 LEU CA C 13 54.138 56.940 -2.802 1
1 105 . 9 0 1 A 13 13 LEU CB C 13 39.063 41.355 -2.292 1
1 106 . 9 0 1 A 13 13 LEU N N 13 120.800 116.955 3.845 1
1 107 . 9 0 1 A 14 14 VAL H H 14 8.127 7.634 0.493 1
1 108 . 9 0 1 A 14 14 VAL HA H 14 3.354 3.809 -0.455 1
1 116 . 9 0 1 A 14 14 VAL CA C 14 67.895 65.174 2.721 1
1 117 . 9 0 1 A 14 14 VAL CB C 14 32.471 31.491 0.980 1
1 120 . 9 0 1 A 14 14 VAL N N 14 121.290 119.435 1.855 1
1 121 . 9 0 1 A 15 15 THR H H 15 7.813 7.998 -0.185 1
1 122 . 9 0 1 A 15 15 THR HA H 15 3.824 3.805 0.019 1
1 127 . 9 0 1 A 15 15 THR CA C 15 66.838 67.295 -0.457 1
1 128 . 9 0 1 A 15 15 THR CB C 15 69.152 68.429 0.723 1
1 130 . 9 0 1 A 15 15 THR N N 15 115.770 116.672 -0.902 1
1 131 . 9 0 1 A 16 16 GLU H H 16 8.201 8.469 -0.268 1
1 132 . 9 0 1 A 16 16 GLU HA H 16 4.134 4.457 -0.323 1
1 136 . 9 0 1 A 16 16 GLU CA C 16 60.219 59.264 0.955 1
1 137 . 9 0 1 A 16 16 GLU CB C 16 27.443 29.110 -1.667 1
1 139 . 9 0 1 A 16 16 GLU N N 16 123.330 119.615 3.715 1
1 140 . 9 0 1 A 17 17 LEU H H 17 8.637 8.430 0.207 1
1 141 . 9 0 1 A 17 17 LEU HA H 17 3.779 3.853 -0.074 1
1 145 . 9 0 1 A 17 17 LEU CA C 17 58.646 57.863 0.783 1
1 146 . 9 0 1 A 17 17 LEU CB C 17 41.289 41.070 0.219 1
1 147 . 9 0 1 A 17 17 LEU N N 17 119.350 120.431 -1.081 1
1 148 . 9 0 1 A 18 18 GLU H H 18 7.903 8.933 -1.030 1
1 149 . 9 0 1 A 18 18 GLU HA H 18 4.048 3.832 0.216 1
1 153 . 9 0 1 A 18 18 GLU CA C 18 59.140 59.766 -0.626 1
1 154 . 9 0 1 A 18 18 GLU CB C 18 27.587 28.953 -1.366 1
1 156 . 9 0 1 A 18 18 GLU N N 18 122.730 119.101 3.629 1
1 157 . 9 0 1 A 19 19 CYS H H 19 7.231 7.560 -0.329 1
1 158 . 9 0 1 A 19 19 CYS HA H 19 4.135 4.502 -0.367 1
1 161 . 9 0 1 A 19 19 CYS CA C 19 60.041 57.126 2.915 1
1 162 . 9 0 1 A 19 19 CYS CB C 19 39.419 42.862 -3.443 1
1 163 . 9 0 1 A 19 19 CYS N N 19 120.230 117.307 2.923 1
1 164 . 9 0 1 A 20 20 ILE H H 20 8.433 8.194 0.239 1
1 165 . 9 0 1 A 20 20 ILE HA H 20 3.288 3.983 -0.695 1
1 174 . 9 0 1 A 20 20 ILE CA C 20 66.135 62.739 3.396 1
1 175 . 9 0 1 A 20 20 ILE CB C 20 39.423 37.208 2.215 1
1 179 . 9 0 1 A 20 20 ILE N N 20 122.030 121.073 0.957 1
1 180 . 9 0 1 A 21 21 ARG H H 21 7.644 7.283 0.361 1
1 181 . 9 0 1 A 21 21 ARG HA H 21 3.823 4.287 -0.464 1
1 183 . 9 0 1 A 21 21 ARG CA C 21 59.557 56.359 3.198 1
1 184 . 9 0 1 A 21 21 ARG CB C 21 30.680 30.384 0.296 1
1 187 . 9 0 1 A 21 21 ARG N N 21 119.330 121.537 -2.207 1
1 188 . 9 0 1 A 22 22 LEU H H 22 6.877 8.051 -1.174 1
1 189 . 9 0 1 A 22 22 LEU HA H 22 4.111 4.037 0.074 1
1 199 . 9 0 1 A 22 22 LEU CA C 22 56.458 56.069 0.389 1
1 200 . 9 0 1 A 22 22 LEU CB C 22 42.824 40.222 2.602 1
1 204 . 9 0 1 A 22 22 LEU N N 22 114.780 117.261 -2.481 1
1 205 . 9 0 1 A 23 23 ARG H H 23 7.570 8.279 -0.709 1
1 206 . 9 0 1 A 23 23 ARG HA H 23 4.384 4.514 -0.130 1
1 212 . 9 0 1 A 23 23 ARG CA C 23 56.733 55.207 1.526 1
1 213 . 9 0 1 A 23 23 ARG CB C 23 33.160 30.469 2.691 1
1 216 . 9 0 1 A 23 23 ARG N N 23 117.100 117.221 -0.121 1
1 218 . 9 0 1 A 24 24 ILE H H 24 7.041 7.706 -0.665 1
1 219 . 9 0 1 A 24 24 ILE HA H 24 4.653 3.760 0.893 1
1 229 . 9 0 1 A 24 24 ILE CA C 24 60.889 64.868 -3.979 1
1 230 . 9 0 1 A 24 24 ILE CB C 24 40.480 37.809 2.671 1
1 234 . 9 0 1 A 24 24 ILE N N 24 112.510 121.393 -8.883 1
1 235 . 9 0 1 A 25 25 SER H H 25 8.441 7.529 0.912 1
1 236 . 9 0 1 A 25 25 SER HA H 25 4.572 4.623 -0.051 1
1 239 . 9 0 1 A 25 25 SER CA C 25 58.047 59.464 -1.417 1
1 240 . 9 0 1 A 25 25 SER CB C 25 63.703 64.901 -1.198 1
1 241 . 9 0 1 A 25 25 SER N N 25 116.820 112.564 4.256 1
1 242 . 9 0 1 A 26 26 PRO HA H 26 4.457 4.484 -0.027 1
1 248 . 9 0 1 A 26 26 PRO CA C 26 66.703 62.439 4.264 1
1 249 . 9 0 1 A 26 26 PRO CB C 26 32.374 33.313 -0.939 1
1 252 . 9 0 1 A 27 27 GLU H H 27 8.543 8.762 -0.219 1
1 253 . 9 0 1 A 27 27 GLU HA H 27 4.170 4.054 0.116 1
1 257 . 9 0 1 A 27 27 GLU CA C 27 60.003 59.014 0.989 1
1 258 . 9 0 1 A 27 27 GLU CB C 27 27.944 29.105 -1.161 1
1 260 . 9 0 1 A 27 27 GLU N N 27 117.750 121.162 -3.412 1
1 261 . 9 0 1 A 28 28 THR H H 28 8.099 7.766 0.333 1
1 262 . 9 0 1 A 28 28 THR HA H 28 4.178 2.358 1.820 1
1 267 . 9 0 1 A 28 28 THR CA C 28 67.201 65.187 2.014 1
1 268 . 9 0 1 A 28 28 THR CB C 28 67.314 68.704 -1.390 1
1 270 . 9 0 1 A 28 28 THR N N 28 122.040 115.304 6.736 1
1 271 . 9 0 1 A 29 29 ASN H H 29 8.621 7.820 0.801 1
1 272 . 9 0 1 A 29 29 ASN HA H 29 4.522 4.333 0.189 1
1 276 . 9 0 1 A 29 29 ASN CA C 29 58.319 55.925 2.394 1
1 277 . 9 0 1 A 29 29 ASN CB C 29 39.553 38.325 1.228 1
1 278 . 9 0 1 A 29 29 ASN N N 29 122.850 119.421 3.429 1
1 280 . 9 0 1 A 30 30 ALA H H 30 8.185 8.105 0.080 1
1 281 . 9 0 1 A 30 30 ALA HA H 30 4.141 4.015 0.126 1
1 285 . 9 0 1 A 30 30 ALA CA C 30 55.716 55.224 0.492 1
1 286 . 9 0 1 A 30 30 ALA CB C 30 17.815 18.675 -0.860 1
1 287 . 9 0 1 A 30 30 ALA N N 30 123.330 122.567 0.763 1
1 288 . 9 0 1 A 31 31 ALA H H 31 7.852 8.490 -0.638 1
1 289 . 9 0 1 A 31 31 ALA HA H 31 4.182 3.992 0.190 1
1 293 . 9 0 1 A 31 31 ALA CA C 31 55.395 54.869 0.526 1
1 294 . 9 0 1 A 31 31 ALA CB C 31 18.712 18.566 0.146 1
1 295 . 9 0 1 A 31 31 ALA N N 31 122.920 119.881 3.039 1
1 296 . 9 0 1 A 32 32 PHE H H 32 8.497 7.919 0.578 1
1 297 . 9 0 1 A 32 32 PHE HA H 32 4.300 4.372 -0.072 1
1 303 . 9 0 1 A 32 32 PHE CA C 32 59.972 61.340 -1.368 1
1 304 . 9 0 1 A 32 32 PHE CB C 32 39.152 38.048 1.104 1
1 308 . 9 0 1 A 32 32 PHE N N 32 123.980 116.222 7.758 1
1 309 . 9 0 1 A 33 33 ASP H H 33 8.380 8.191 0.189 1
1 310 . 9 0 1 A 33 33 ASP HA H 33 4.298 4.341 -0.043 1
1 313 . 9 0 1 A 33 33 ASP CA C 33 57.394 57.796 -0.402 1
1 314 . 9 0 1 A 33 33 ASP CB C 33 38.380 41.468 -3.088 1
1 315 . 9 0 1 A 33 33 ASP N N 33 119.640 120.816 -1.176 1
1 316 . 9 0 1 A 34 34 ASN H H 34 7.854 8.169 -0.315 1
1 317 . 9 0 1 A 34 34 ASN HA H 34 4.410 4.371 0.039 1
1 321 . 9 0 1 A 34 34 ASN CA C 34 56.974 55.836 1.138 1
1 322 . 9 0 1 A 34 34 ASN CB C 34 38.740 37.075 1.665 1
1 323 . 9 0 1 A 34 34 ASN N N 34 119.710 115.887 3.823 1
1 325 . 9 0 1 A 35 35 ALA H H 35 7.743 7.875 -0.132 1
1 326 . 9 0 1 A 35 35 ALA HA H 35 2.999 4.036 -1.037 1
1 330 . 9 0 1 A 35 35 ALA CA C 35 55.881 55.078 0.803 1
1 331 . 9 0 1 A 35 35 ALA CB C 35 17.360 18.697 -1.337 1
1 332 . 9 0 1 A 35 35 ALA N N 35 123.520 122.441 1.079 1
1 333 . 9 0 1 A 36 36 VAL H H 36 7.802 8.893 -1.091 1
1 334 . 9 0 1 A 36 36 VAL HA H 36 2.973 3.521 -0.548 1
1 342 . 9 0 1 A 36 36 VAL CA C 36 67.829 66.650 1.179 1
1 343 . 9 0 1 A 36 36 VAL CB C 36 32.410 31.339 1.071 1
1 346 . 9 0 1 A 36 36 VAL N N 36 115.430 117.851 -2.421 1
1 347 . 9 0 1 A 37 37 GLN H H 37 7.027 8.373 -1.346 1
1 348 . 9 0 1 A 37 37 GLN HA H 37 4.093 3.926 0.167 1
1 353 . 9 0 1 A 37 37 GLN CA C 37 59.039 59.040 -0.001 1
1 354 . 9 0 1 A 37 37 GLN CB C 37 28.910 28.318 0.592 1
1 356 . 9 0 1 A 37 37 GLN N N 37 116.140 120.459 -4.319 1
1 358 . 9 0 1 A 38 38 GLN H H 38 8.443 7.941 0.502 1
1 359 . 9 0 1 A 38 38 GLN HA H 38 3.939 3.978 -0.039 1
1 365 . 9 0 1 A 38 38 GLN CA C 38 58.748 59.036 -0.288 1
1 366 . 9 0 1 A 38 38 GLN CB C 38 28.854 28.497 0.357 1
1 368 . 9 0 1 A 38 38 GLN N N 38 120.080 118.651 1.429 1
1 370 . 9 0 1 A 39 39 LEU H H 39 7.565 7.507 0.058 1
1 371 . 9 0 1 A 39 39 LEU HA H 39 4.199 4.211 -0.012 1
1 380 . 9 0 1 A 39 39 LEU CA C 39 54.901 56.723 -1.822 1
1 381 . 9 0 1 A 39 39 LEU CB C 39 42.208 42.858 -0.650 1
1 383 . 9 0 1 A 39 39 LEU N N 39 117.930 116.275 1.655 1
1 384 . 9 0 1 A 40 40 ASN H H 40 7.976 8.308 -0.332 1
1 385 . 9 0 1 A 40 40 ASN HA H 40 4.313 4.523 -0.210 1
1 389 . 9 0 1 A 40 40 ASN CA C 40 54.625 53.993 0.632 1
1 390 . 9 0 1 A 40 40 ASN CB C 40 36.903 36.904 -0.001 1
1 391 . 9 0 1 A 40 40 ASN N N 40 118.780 117.056 1.724 1
1 393 . 9 0 1 A 41 41 CYS H H 41 7.833 8.032 -0.199 1
1 394 . 9 0 1 A 41 41 CYS HA H 41 4.888 4.691 0.197 1
1 397 . 9 0 1 A 41 41 CYS CA C 41 55.148 55.906 -0.758 1
1 398 . 9 0 1 A 41 41 CYS CB C 41 42.078 42.562 -0.484 1
1 399 . 9 0 1 A 41 41 CYS N N 41 115.600 117.326 -1.726 1
1 400 . 9 0 1 A 42 42 LEU H H 42 8.371 8.177 0.194 1
1 401 . 9 0 1 A 42 42 LEU HA H 42 4.340 4.262 0.078 1
1 410 . 9 0 1 A 42 42 LEU CA C 42 55.342 56.998 -1.656 1
1 411 . 9 0 1 A 42 42 LEU CB C 42 43.358 41.872 1.486 1
1 415 . 9 0 1 A 42 42 LEU N N 42 116.770 121.447 -4.677 1
1 416 . 9 0 1 A 43 43 ASN H H 43 7.025 8.289 -1.264 1
1 417 . 9 0 1 A 43 43 ASN HA H 43 4.767 4.998 -0.231 1
1 422 . 9 0 1 A 43 43 ASN CA C 43 51.715 52.164 -0.449 1
1 423 . 9 0 1 A 43 43 ASN CB C 43 41.011 39.896 1.115 1
1 424 . 9 0 1 A 43 43 ASN N N 43 111.360 113.033 -1.673 1
1 426 . 9 0 1 A 44 44 ARG H H 44 8.735 9.204 -0.469 1
1 427 . 9 0 1 A 44 44 ARG HA H 44 3.868 4.196 -0.328 1
1 431 . 9 0 1 A 44 44 ARG CA C 44 60.307 58.949 1.358 1
1 432 . 9 0 1 A 44 44 ARG CB C 44 30.895 30.006 0.889 1
1 433 . 9 0 1 A 44 44 ARG N N 44 118.870 121.586 -2.716 1
1 434 . 9 0 1 A 45 45 ALA H H 45 8.381 8.233 0.148 1
1 435 . 9 0 1 A 45 45 ALA HA H 45 3.814 4.072 -0.258 1
1 439 . 9 0 1 A 45 45 ALA CA C 45 56.384 54.004 2.380 1
1 440 . 9 0 1 A 45 45 ALA CB C 45 17.800 18.169 -0.369 1
1 441 . 9 0 1 A 45 45 ALA N N 45 125.360 121.054 4.306 1
1 442 . 9 0 1 A 46 46 CYS H H 46 8.027 7.888 0.139 1
1 443 . 9 0 1 A 46 46 CYS HA H 46 4.168 4.449 -0.281 1
1 446 . 9 0 1 A 46 46 CYS CA C 46 59.006 58.386 0.620 1
1 447 . 9 0 1 A 46 46 CYS CB C 46 33.410 42.255 -8.845 1
1 448 . 9 0 1 A 46 46 CYS N N 46 117.400 115.848 1.552 1
1 449 . 9 0 1 A 47 47 ALA H H 47 7.144 8.338 -1.194 1
1 450 . 9 0 1 A 47 47 ALA HA H 47 3.837 3.968 -0.131 1
1 454 . 9 0 1 A 47 47 ALA CA C 47 55.130 55.368 -0.238 1
1 455 . 9 0 1 A 47 47 ALA CB C 47 19.618 18.611 1.007 1
1 456 . 9 0 1 A 47 47 ALA N N 47 123.130 122.461 0.669 1
1 457 . 9 0 1 A 48 48 TYR H H 48 8.841 7.897 0.944 1
1 458 . 9 0 1 A 48 48 TYR HA H 48 3.896 4.002 -0.106 1
1 462 . 9 0 1 A 48 48 TYR CA C 48 63.769 62.117 1.652 1
1 463 . 9 0 1 A 48 48 TYR CB C 48 40.446 38.637 1.809 1
1 466 . 9 0 1 A 48 48 TYR N N 48 120.860 117.991 2.869 1
1 467 . 9 0 1 A 49 49 ARG H H 49 8.501 8.521 -0.020 1
1 468 . 9 0 1 A 49 49 ARG HA H 49 3.840 4.077 -0.237 1
1 470 . 9 0 1 A 49 49 ARG CA C 49 60.324 59.633 0.691 1
1 471 . 9 0 1 A 49 49 ARG CB C 49 29.890 29.952 -0.062 1
1 472 . 9 0 1 A 49 49 ARG N N 49 117.110 117.743 -0.633 1
1 473 . 9 0 1 A 50 50 LYS H H 50 7.817 7.715 0.102 1
1 474 . 9 0 1 A 50 50 LYS HA H 50 3.965 4.117 -0.152 1
1 477 . 9 0 1 A 50 50 LYS CA C 50 61.111 58.960 2.151 1
1 478 . 9 0 1 A 50 50 LYS CB C 50 33.272 31.646 1.626 1
1 479 . 9 0 1 A 50 50 LYS N N 50 119.510 119.054 0.456 1
1 480 . 9 0 1 A 51 51 MET H H 51 7.934 8.169 -0.235 1
1 481 . 9 0 1 A 51 51 MET HA H 51 4.199 3.989 0.210 1
1 484 . 9 0 1 A 51 51 MET CA C 51 60.407 58.456 1.951 1
1 485 . 9 0 1 A 51 51 MET CB C 51 33.492 31.724 1.768 1
1 487 . 9 0 1 A 51 51 MET N N 51 119.740 118.672 1.068 1
1 488 . 9 0 1 A 52 52 CYS H H 52 8.545 8.834 -0.289 1
1 489 . 9 0 1 A 52 52 CYS HA H 52 4.018 4.278 -0.260 1
1 492 . 9 0 1 A 52 52 CYS CA C 52 60.109 59.207 0.902 1
1 493 . 9 0 1 A 52 52 CYS CB C 52 40.790 41.933 -1.143 1
1 494 . 9 0 1 A 52 52 CYS N N 52 119.160 117.411 1.749 1
1 495 . 9 0 1 A 53 53 ALA H H 53 7.626 8.153 -0.527 1
1 496 . 9 0 1 A 53 53 ALA HA H 53 4.182 4.266 -0.084 1
1 500 . 9 0 1 A 53 53 ALA CA C 53 54.149 54.650 -0.501 1
1 501 . 9 0 1 A 53 53 ALA CB C 53 18.492 19.323 -0.831 1
1 502 . 9 0 1 A 53 53 ALA N N 53 122.360 122.307 0.053 1
1 503 . 9 0 1 A 54 54 THR H H 54 7.041 7.599 -0.558 1
1 504 . 9 0 1 A 54 54 THR HA H 54 4.180 4.633 -0.453 1
1 509 . 9 0 1 A 54 54 THR CA C 54 63.143 63.291 -0.148 1
1 510 . 9 0 1 A 54 54 THR CB C 54 71.301 71.522 -0.221 1
1 512 . 9 0 1 A 54 54 THR N N 54 107.780 109.677 -1.897 1
1 513 . 9 0 1 A 55 55 ASN H H 55 8.071 7.875 0.196 1
1 514 . 9 0 1 A 55 55 ASN HA H 55 4.409 4.956 -0.547 1
1 518 . 9 0 1 A 55 55 ASN CA C 55 55.475 52.427 3.048 1
1 519 . 9 0 1 A 55 55 ASN CB C 55 38.226 40.652 -2.426 1
1 520 . 9 0 1 A 55 55 ASN N N 55 114.220 115.280 -1.060 1
1 522 . 9 0 1 A 56 56 ASN H H 56 7.751 9.038 -1.287 1
1 523 . 9 0 1 A 56 56 ASN HA H 56 4.598 4.827 -0.229 1
1 528 . 9 0 1 A 56 56 ASN CA C 56 53.301 54.134 -0.833 1
1 529 . 9 0 1 A 56 56 ASN CB C 56 38.408 38.949 -0.541 1
1 530 . 9 0 1 A 56 56 ASN N N 56 117.400 117.037 0.363 1
1 532 . 9 0 1 A 57 57 LEU H H 57 8.623 8.311 0.312 1
1 533 . 9 0 1 A 57 57 LEU HA H 57 3.783 4.327 -0.544 1
1 536 . 9 0 1 A 57 57 LEU CA C 57 58.796 54.706 4.090 1
1 537 . 9 0 1 A 57 57 LEU CB C 57 42.709 42.190 0.519 1
1 538 . 9 0 1 A 57 57 LEU N N 57 127.190 122.161 5.029 1
1 539 . 9 0 1 A 58 58 GLU H H 58 8.353 8.512 -0.159 1
1 540 . 9 0 1 A 58 58 GLU HA H 58 3.792 3.980 -0.188 1
1 543 . 9 0 1 A 58 58 GLU CA C 58 60.263 58.572 1.691 1
1 544 . 9 0 1 A 58 58 GLU CB C 58 27.565 28.358 -0.793 1
1 546 . 9 0 1 A 58 58 GLU N N 58 117.370 119.492 -2.122 1
1 547 . 9 0 1 A 59 59 GLN H H 59 7.434 8.131 -0.697 1
1 548 . 9 0 1 A 59 59 GLN HA H 59 3.850 3.958 -0.108 1
1 553 . 9 0 1 A 59 59 GLN CA C 59 58.858 59.337 -0.479 1
1 554 . 9 0 1 A 59 59 GLN CB C 59 28.858 28.615 0.243 1
1 556 . 9 0 1 A 59 59 GLN N N 59 119.730 119.907 -0.177 1
1 558 . 9 0 1 A 60 60 ALA H H 60 8.043 7.708 0.335 1
1 559 . 9 0 1 A 60 60 ALA HA H 60 4.090 4.024 0.066 1
1 563 . 9 0 1 A 60 60 ALA CA C 60 55.496 55.275 0.221 1
1 564 . 9 0 1 A 60 60 ALA CB C 60 19.168 18.516 0.652 1
1 565 . 9 0 1 A 60 60 ALA N N 60 124.010 120.508 3.502 1
1 566 . 9 0 1 A 61 61 MET H H 61 8.690 8.435 0.255 1
1 567 . 9 0 1 A 61 61 MET HA H 61 4.240 4.050 0.190 1
1 571 . 9 0 1 A 61 61 MET CA C 61 59.964 57.887 2.077 1
1 572 . 9 0 1 A 61 61 MET CB C 61 34.709 32.263 2.446 1
1 574 . 9 0 1 A 61 61 MET N N 61 114.840 117.541 -2.701 1
1 575 . 9 0 1 A 62 62 SER H H 62 7.697 8.144 -0.447 1
1 576 . 9 0 1 A 62 62 SER HA H 62 4.527 3.508 1.019 1
1 579 . 9 0 1 A 62 62 SER CA C 62 61.590 60.714 0.876 1
1 580 . 9 0 1 A 62 62 SER CB C 62 63.726 63.054 0.672 1
1 581 . 9 0 1 A 62 62 SER N N 62 115.290 115.208 0.082 1
1 582 . 9 0 1 A 63 63 VAL H H 63 6.876 7.681 -0.805 1
1 583 . 9 0 1 A 63 63 VAL HA H 63 3.366 3.663 -0.297 1
1 591 . 9 0 1 A 63 63 VAL CA C 63 65.247 66.299 -1.052 1
1 592 . 9 0 1 A 63 63 VAL CB C 63 32.621 31.706 0.915 1
1 595 . 9 0 1 A 63 63 VAL N N 63 120.720 121.801 -1.081 1
1 596 . 9 0 1 A 64 64 TYR H H 64 6.677 7.616 -0.939 1
1 597 . 9 0 1 A 64 64 TYR HA H 64 4.274 4.367 -0.093 1
1 602 . 9 0 1 A 64 64 TYR CA C 64 57.735 59.963 -2.228 1
1 603 . 9 0 1 A 64 64 TYR CB C 64 42.007 38.629 3.378 1
1 606 . 9 0 1 A 64 64 TYR N N 64 115.320 118.599 -3.279 1
1 607 . 9 0 1 A 65 65 PHE H H 65 8.052 7.845 0.207 1
1 608 . 9 0 1 A 65 65 PHE HA H 65 5.160 5.064 0.096 1
1 614 . 9 0 1 A 65 65 PHE CA C 65 56.486 56.159 0.327 1
1 615 . 9 0 1 A 65 65 PHE CB C 65 43.296 40.189 3.107 1
1 619 . 9 0 1 A 65 65 PHE N N 65 117.410 117.188 0.222 1
1 620 . 9 0 1 A 66 66 THR H H 66 8.302 8.970 -0.668 1
1 621 . 9 0 1 A 66 66 THR HA H 66 4.657 4.853 -0.196 1
1 626 . 9 0 1 A 66 66 THR CA C 66 60.932 60.371 0.561 1
1 627 . 9 0 1 A 66 66 THR CB C 66 71.138 71.711 -0.573 1
1 629 . 9 0 1 A 66 66 THR N N 66 111.430 113.582 -2.152 1
1 630 . 9 0 1 A 67 67 ASN H H 67 9.025 9.126 -0.101 1
1 631 . 9 0 1 A 67 67 ASN HA H 67 4.223 4.413 -0.190 1
1 636 . 9 0 1 A 67 67 ASN CA C 67 57.459 57.340 0.119 1
1 637 . 9 0 1 A 67 67 ASN CB C 67 38.180 38.192 -0.012 1
1 638 . 9 0 1 A 67 67 ASN N N 67 120.120 120.488 -0.368 1
1 640 . 9 0 1 A 68 68 GLU H H 68 8.403 8.421 -0.018 1
1 641 . 9 0 1 A 68 68 GLU HA H 68 3.956 4.047 -0.091 1
1 645 . 9 0 1 A 68 68 GLU CA C 68 59.700 59.531 0.169 1
1 646 . 9 0 1 A 68 68 GLU CB C 68 28.105 29.274 -1.169 1
1 648 . 9 0 1 A 68 68 GLU N N 68 120.220 117.636 2.584 1
1 649 . 9 0 1 A 69 69 GLN H H 69 7.411 7.649 -0.238 1
1 650 . 9 0 1 A 69 69 GLN HA H 69 3.822 3.963 -0.141 1
1 657 . 9 0 1 A 69 69 GLN CA C 69 58.952 59.005 -0.053 1
1 658 . 9 0 1 A 69 69 GLN CB C 69 28.418 28.230 0.188 1
1 659 . 9 0 1 A 69 69 GLN N N 69 120.940 118.894 2.046 1
1 661 . 9 0 1 A 70 70 ILE H H 70 8.327 7.936 0.391 1
1 662 . 9 0 1 A 70 70 ILE HA H 70 3.036 3.720 -0.684 1
1 671 . 9 0 1 A 70 70 ILE CA C 70 66.926 62.180 4.746 1
1 672 . 9 0 1 A 70 70 ILE CB C 70 38.603 37.275 1.328 1
1 676 . 9 0 1 A 70 70 ILE N N 70 120.560 119.550 1.010 1
1 677 . 9 0 1 A 71 71 LYS H H 71 7.554 8.226 -0.672 1
1 678 . 9 0 1 A 71 71 LYS HA H 71 3.909 4.023 -0.114 1
1 681 . 9 0 1 A 71 71 LYS CA C 71 60.156 59.752 0.404 1
1 682 . 9 0 1 A 71 71 LYS CB C 71 32.294 32.320 -0.026 1
1 683 . 9 0 1 A 71 71 LYS N N 71 121.040 121.705 -0.665 1
1 684 . 9 0 1 A 72 72 GLU H H 72 7.885 7.958 -0.073 1
1 685 . 9 0 1 A 72 72 GLU HA H 72 3.989 4.038 -0.049 1
1 688 . 9 0 1 A 72 72 GLU CA C 72 60.266 59.285 0.981 1
1 689 . 9 0 1 A 72 72 GLU CB C 72 30.213 29.338 0.875 1
1 691 . 9 0 1 A 72 72 GLU N N 72 119.670 117.976 1.694 1
1 692 . 9 0 1 A 73 73 ILE H H 73 8.193 7.765 0.428 1
1 693 . 9 0 1 A 73 73 ILE HA H 73 3.312 3.963 -0.651 1
1 703 . 9 0 1 A 73 73 ILE CA C 73 66.520 63.057 3.463 1
1 704 . 9 0 1 A 73 73 ILE CB C 73 38.344 37.222 1.122 1
1 708 . 9 0 1 A 73 73 ILE N N 73 121.390 120.362 1.028 1
1 709 . 9 0 1 A 74 74 HIS H H 74 8.624 8.083 0.541 1
1 710 . 9 0 1 A 74 74 HIS HA H 74 4.174 4.698 -0.524 1
1 714 . 9 0 1 A 74 74 HIS CA C 74 59.179 59.719 -0.540 1
1 715 . 9 0 1 A 74 74 HIS CB C 74 28.498 30.101 -1.603 1
1 718 . 9 0 1 A 74 74 HIS N N 74 119.430 121.956 -2.526 1
1 719 . 9 0 1 A 75 75 ASP H H 75 8.824 8.236 0.588 1
1 720 . 9 0 1 A 75 75 ASP HA H 75 4.276 4.225 0.051 1
1 722 . 9 0 1 A 75 75 ASP CA C 75 56.474 57.474 -1.000 1
1 723 . 9 0 1 A 75 75 ASP CB C 75 38.100 41.494 -3.394 1
1 724 . 9 0 1 A 75 75 ASP N N 75 119.980 119.422 0.558 1
1 725 . 9 0 1 A 76 76 ALA H H 76 8.064 8.225 -0.161 1
1 726 . 9 0 1 A 76 76 ALA HA H 76 4.012 4.126 -0.114 1
1 730 . 9 0 1 A 76 76 ALA CA C 76 54.988 55.023 -0.035 1
1 731 . 9 0 1 A 76 76 ALA CB C 76 20.747 18.575 2.172 1
1 732 . 9 0 1 A 76 76 ALA N N 76 125.030 121.058 3.972 1
1 733 . 9 0 1 A 77 77 ALA H H 77 8.659 8.715 -0.056 1
1 734 . 9 0 1 A 77 77 ALA HA H 77 3.613 4.092 -0.479 1
1 738 . 9 0 1 A 77 77 ALA CA C 77 55.772 54.109 1.663 1
1 739 . 9 0 1 A 77 77 ALA CB C 77 18.217 18.253 -0.036 1
1 740 . 9 0 1 A 77 77 ALA N N 77 122.060 120.460 1.600 1
1 741 . 9 0 1 A 78 78 THR H H 78 7.651 7.153 0.498 1
1 742 . 9 0 1 A 78 78 THR HA H 78 3.762 4.003 -0.241 1
1 747 . 9 0 1 A 78 78 THR CA C 78 66.360 65.255 1.105 1
1 748 . 9 0 1 A 78 78 THR CB C 78 68.873 69.599 -0.726 1
1 750 . 9 0 1 A 78 78 THR N N 78 113.580 111.945 1.635 1
1 751 . 9 0 1 A 79 79 ALA H H 79 7.291 7.884 -0.593 1
1 752 . 9 0 1 A 79 79 ALA HA H 79 4.022 4.240 -0.218 1
1 756 . 9 0 1 A 79 79 ALA CA C 79 54.713 51.738 2.975 1
1 757 . 9 0 1 A 79 79 ALA CB C 79 18.695 18.622 0.073 1
1 758 . 9 0 1 A 79 79 ALA N N 79 123.330 119.005 4.325 1
1 759 . 9 0 1 A 80 80 CYS H H 80 7.781 8.277 -0.496 1
1 760 . 9 0 1 A 80 80 CYS HA H 80 4.295 4.758 -0.463 1
1 762 . 9 0 1 A 80 80 CYS CA C 80 57.577 57.938 -0.361 1
1 763 . 9 0 1 A 80 80 CYS CB C 80 43.192 40.975 2.217 1
1 764 . 9 0 1 A 80 80 CYS N N 80 115.190 114.780 0.410 1
1 765 . 9 0 1 A 81 81 ASP H H 81 7.323 7.750 -0.427 1
1 766 . 9 0 1 A 81 81 ASP HA H 81 4.743 5.120 -0.377 1
1 769 . 9 0 1 A 81 81 ASP CA C 81 52.419 51.283 1.136 1
1 770 . 9 0 1 A 81 81 ASP CB C 81 40.376 41.740 -1.364 1
1 771 . 9 0 1 A 81 81 ASP N N 81 121.570 119.201 2.369 1
1 772 . 9 0 1 A 82 82 PRO HA H 82 4.312 5.089 -0.777 1
1 777 . 9 0 1 A 82 82 PRO CA C 82 64.427 62.438 1.989 1
1 778 . 9 0 1 A 82 82 PRO CB C 82 32.685 29.488 3.197 1
1 780 . 9 0 1 A 83 83 GLU H H 83 8.036 8.808 -0.772 1
1 781 . 9 0 1 A 83 83 GLU HA H 83 4.126 4.348 -0.222 1
1 785 . 9 0 1 A 83 83 GLU CA C 83 56.523 57.249 -0.726 1
1 786 . 9 0 1 A 83 83 GLU CB C 83 28.819 28.146 0.673 1
1 788 . 9 0 1 A 83 83 GLU N N 83 118.550 121.122 -2.572 1
1 789 . 9 0 1 A 84 84 ALA H H 84 7.695 7.990 -0.295 1
1 790 . 9 0 1 A 84 84 ALA HA H 84 4.083 4.282 -0.199 1
1 794 . 9 0 1 A 84 84 ALA CA C 84 52.963 54.773 -1.810 1
1 795 . 9 0 1 A 84 84 ALA CB C 84 19.516 19.145 0.371 1
1 796 . 9 0 1 A 84 84 ALA N N 84 123.730 121.354 2.376 1
1 797 . 9 0 1 A 85 85 HIS H H 85 8.078 8.069 0.009 1
1 798 . 9 0 1 A 85 85 HIS HA H 85 4.529 4.804 -0.275 1
1 803 . 9 0 1 A 85 85 HIS CA C 85 55.480 54.672 0.808 1
1 804 . 9 0 1 A 85 85 HIS CB C 85 29.115 30.652 -1.537 1
1 807 . 9 0 1 A 85 85 HIS N N 85 117.030 114.917 2.113 1
1 808 . 9 0 1 A 86 86 HIS H H 86 8.352 7.561 0.791 1
1 809 . 9 0 1 A 86 86 HIS HA H 86 4.596 4.673 -0.077 1
1 814 . 9 0 1 A 86 86 HIS CA C 86 55.496 56.296 -0.800 1
1 815 . 9 0 1 A 86 86 HIS CB C 86 29.414 32.874 -3.460 1
1 818 . 9 0 1 A 86 86 HIS N N 86 120.170 120.950 -0.780 1
1 819 . 9 0 1 A 87 87 GLU H H 87 8.300 8.473 -0.173 1
1 820 . 9 0 1 A 87 87 GLU HA H 87 4.194 4.438 -0.244 1
1 823 . 9 0 1 A 87 87 GLU CA C 87 56.264 56.169 0.095 1
1 824 . 9 0 1 A 87 87 GLU CB C 87 29.329 32.600 -3.271 1
1 826 . 9 0 1 A 87 87 GLU N N 87 121.850 124.995 -3.145 1
1 827 . 9 0 1 A 88 88 HIS H H 88 8.524 9.190 -0.666 1
1 828 . 9 0 1 A 88 88 HIS HA H 88 4.597 4.298 0.299 1
1 832 . 9 0 1 A 88 88 HIS CA C 88 55.621 56.537 -0.916 1
1 833 . 9 0 1 A 88 88 HIS CB C 88 29.150 28.114 1.036 1
1 836 . 9 0 1 A 88 88 HIS N N 88 119.750 124.631 -4.881 1
1 837 . 9 0 1 A 89 89 ASP H H 89 8.343 8.277 0.066 1
1 838 . 9 0 1 A 89 89 ASP HA H 89 4.579 4.394 0.185 1
1 840 . 9 0 1 A 89 89 ASP CA C 89 53.805 56.481 -2.676 1
1 841 . 9 0 1 A 89 89 ASP CB C 89 38.560 41.323 -2.763 1
1 842 . 9 0 1 A 89 89 ASP N N 89 120.950 120.849 0.101 1
1 9 . 10 0 1 A 2 2 HIS H H 2 8.902 8.502 0.400 1
1 10 . 10 0 1 A 2 2 HIS HA H 2 4.665 4.635 0.030 1
1 14 . 10 0 1 A 2 2 HIS CA C 2 55.744 57.238 -1.494 1
1 15 . 10 0 1 A 2 2 HIS CB C 2 29.481 31.383 -1.902 1
1 18 . 10 0 1 A 2 2 HIS N N 2 122.160 122.638 -0.478 1
1 19 . 10 0 1 A 3 3 GLN H H 3 8.624 8.052 0.572 1
1 20 . 10 0 1 A 3 3 GLN HA H 3 4.265 4.510 -0.245 1
1 24 . 10 0 1 A 3 3 GLN CA C 3 55.961 54.839 1.122 1
1 25 . 10 0 1 A 3 3 GLN CB C 3 29.727 29.455 0.272 1
1 27 . 10 0 1 A 3 3 GLN N N 3 123.710 118.205 5.505 1
1 29 . 10 0 1 A 4 4 GLU H H 4 8.499 8.622 -0.123 1
1 30 . 10 0 1 A 4 4 GLU HA H 4 4.250 4.404 -0.154 1
1 33 . 10 0 1 A 4 4 GLU CA C 4 56.888 57.463 -0.575 1
1 34 . 10 0 1 A 4 4 GLU CB C 4 29.316 30.924 -1.608 1
1 36 . 10 0 1 A 4 4 GLU N N 4 123.160 122.710 0.450 1
1 37 . 10 0 1 A 5 5 LEU H H 5 8.464 8.161 0.303 1
1 38 . 10 0 1 A 5 5 LEU HA H 5 4.004 3.771 0.233 1
1 50 . 10 0 1 A 5 5 LEU N N 5 123.070 117.107 5.963 1
1 51 . 10 0 1 A 6 6 CYS H H 6 7.980 8.367 -0.387 1
1 52 . 10 0 1 A 6 6 CYS HA H 6 4.565 4.212 0.353 1
1 55 . 10 0 1 A 6 6 CYS N N 6 113.540 109.001 4.539 1
1 56 . 10 0 1 A 7 7 THR H H 7 7.639 7.962 -0.323 1
1 57 . 10 0 1 A 7 7 THR HA H 7 4.344 4.225 0.119 1
1 62 . 10 0 1 A 7 7 THR CA C 7 61.772 62.983 -1.211 1
1 63 . 10 0 1 A 7 7 THR CB C 7 69.825 67.635 2.190 1
1 65 . 10 0 1 A 7 7 THR N N 7 108.740 108.673 0.067 1
1 66 . 10 0 1 A 8 8 LYS H H 8 7.380 8.979 -1.599 1
1 67 . 10 0 1 A 8 8 LYS HA H 8 4.174 3.977 0.197 1
1 72 . 10 0 1 A 8 8 LYS CA C 8 56.632 57.383 -0.751 1
1 73 . 10 0 1 A 8 8 LYS CB C 8 34.166 30.426 3.740 1
1 75 . 10 0 1 A 8 8 LYS N N 8 122.500 124.380 -1.880 1
1 76 . 10 0 1 A 9 9 GLY H H 9 8.554 8.557 -0.003 1
1 77 . 10 0 1 A 9 9 GLY HA2 H 9 4.027 3.923 0.104 1
1 78 . 10 0 1 A 9 9 GLY HA3 H 9 3.868 3.925 -0.057 1
1 79 . 10 0 1 A 9 9 GLY CA C 9 45.101 45.447 -0.346 1
1 80 . 10 0 1 A 9 9 GLY N N 9 108.960 106.929 2.031 1
1 81 . 10 0 1 A 10 10 ASP H H 10 8.455 8.736 -0.281 1
1 82 . 10 0 1 A 10 10 ASP HA H 10 4.146 4.357 -0.211 1
1 84 . 10 0 1 A 10 10 ASP CA C 10 57.568 56.639 0.929 1
1 85 . 10 0 1 A 10 10 ASP CB C 10 38.723 40.393 -1.670 1
1 86 . 10 0 1 A 10 10 ASP N N 10 118.550 123.987 -5.437 1
1 87 . 10 0 1 A 11 11 ASP H H 11 8.538 8.338 0.200 1
1 88 . 10 0 1 A 11 11 ASP HA H 11 4.262 4.361 -0.099 1
1 90 . 10 0 1 A 11 11 ASP CA C 11 56.696 57.733 -1.037 1
1 91 . 10 0 1 A 11 11 ASP CB C 11 37.812 41.179 -3.367 1
1 92 . 10 0 1 A 11 11 ASP N N 11 118.150 119.363 -1.213 1
1 93 . 10 0 1 A 12 12 ALA H H 12 7.935 7.543 0.392 1
1 94 . 10 0 1 A 12 12 ALA HA H 12 4.052 4.083 -0.031 1
1 98 . 10 0 1 A 12 12 ALA CA C 12 55.104 54.901 0.203 1
1 99 . 10 0 1 A 12 12 ALA CB C 12 19.122 18.201 0.921 1
1 100 . 10 0 1 A 12 12 ALA N N 12 123.880 121.936 1.944 1
1 101 . 10 0 1 A 13 13 LEU H H 13 8.367 7.823 0.544 1
1 102 . 10 0 1 A 13 13 LEU HA H 13 4.524 4.053 0.471 1
1 104 . 10 0 1 A 13 13 LEU CA C 13 54.138 57.140 -3.002 1
1 105 . 10 0 1 A 13 13 LEU CB C 13 39.063 41.339 -2.276 1
1 106 . 10 0 1 A 13 13 LEU N N 13 120.800 119.904 0.896 1
1 107 . 10 0 1 A 14 14 VAL H H 14 8.127 7.788 0.339 1
1 108 . 10 0 1 A 14 14 VAL HA H 14 3.354 3.533 -0.179 1
1 116 . 10 0 1 A 14 14 VAL CA C 14 67.895 66.261 1.634 1
1 117 . 10 0 1 A 14 14 VAL CB C 14 32.471 31.641 0.830 1
1 120 . 10 0 1 A 14 14 VAL N N 14 121.290 118.359 2.931 1
1 121 . 10 0 1 A 15 15 THR H H 15 7.813 7.930 -0.117 1
1 122 . 10 0 1 A 15 15 THR HA H 15 3.824 3.799 0.025 1
1 127 . 10 0 1 A 15 15 THR CA C 15 66.838 67.168 -0.330 1
1 128 . 10 0 1 A 15 15 THR CB C 15 69.152 68.650 0.502 1
1 130 . 10 0 1 A 15 15 THR N N 15 115.770 116.918 -1.148 1
1 131 . 10 0 1 A 16 16 GLU H H 16 8.201 8.662 -0.461 1
1 132 . 10 0 1 A 16 16 GLU HA H 16 4.134 4.117 0.017 1
1 136 . 10 0 1 A 16 16 GLU CA C 16 60.219 58.926 1.293 1
1 137 . 10 0 1 A 16 16 GLU CB C 16 27.443 29.337 -1.894 1
1 139 . 10 0 1 A 16 16 GLU N N 16 123.330 119.791 3.539 1
1 140 . 10 0 1 A 17 17 LEU H H 17 8.637 7.809 0.828 1
1 141 . 10 0 1 A 17 17 LEU HA H 17 3.779 4.089 -0.310 1
1 145 . 10 0 1 A 17 17 LEU CA C 17 58.646 57.521 1.125 1
1 146 . 10 0 1 A 17 17 LEU CB C 17 41.289 41.517 -0.228 1
1 147 . 10 0 1 A 17 17 LEU N N 17 119.350 122.692 -3.342 1
1 148 . 10 0 1 A 18 18 GLU H H 18 7.903 8.400 -0.497 1
1 149 . 10 0 1 A 18 18 GLU HA H 18 4.048 3.918 0.130 1
1 153 . 10 0 1 A 18 18 GLU CA C 18 59.140 59.577 -0.437 1
1 154 . 10 0 1 A 18 18 GLU CB C 18 27.587 28.857 -1.270 1
1 156 . 10 0 1 A 18 18 GLU N N 18 122.730 117.936 4.794 1
1 157 . 10 0 1 A 19 19 CYS H H 19 7.231 7.903 -0.672 1
1 158 . 10 0 1 A 19 19 CYS HA H 19 4.135 4.403 -0.268 1
1 161 . 10 0 1 A 19 19 CYS CA C 19 60.041 60.568 -0.527 1
1 162 . 10 0 1 A 19 19 CYS CB C 19 39.419 41.910 -2.491 1
1 163 . 10 0 1 A 19 19 CYS N N 19 120.230 117.036 3.194 1
1 164 . 10 0 1 A 20 20 ILE H H 20 8.433 8.185 0.248 1
1 165 . 10 0 1 A 20 20 ILE HA H 20 3.288 3.918 -0.630 1
1 174 . 10 0 1 A 20 20 ILE CA C 20 66.135 63.016 3.119 1
1 175 . 10 0 1 A 20 20 ILE CB C 20 39.423 37.315 2.108 1
1 179 . 10 0 1 A 20 20 ILE N N 20 122.030 121.932 0.098 1
1 180 . 10 0 1 A 21 21 ARG H H 21 7.644 7.427 0.217 1
1 181 . 10 0 1 A 21 21 ARG HA H 21 3.823 4.346 -0.523 1
1 183 . 10 0 1 A 21 21 ARG CA C 21 59.557 56.077 3.480 1
1 184 . 10 0 1 A 21 21 ARG CB C 21 30.680 30.386 0.294 1
1 187 . 10 0 1 A 21 21 ARG N N 21 119.330 121.259 -1.929 1
1 188 . 10 0 1 A 22 22 LEU H H 22 6.877 7.793 -0.916 1
1 189 . 10 0 1 A 22 22 LEU HA H 22 4.111 4.176 -0.065 1
1 199 . 10 0 1 A 22 22 LEU CA C 22 56.458 56.268 0.190 1
1 200 . 10 0 1 A 22 22 LEU CB C 22 42.824 40.189 2.635 1
1 204 . 10 0 1 A 22 22 LEU N N 22 114.780 117.179 -2.399 1
1 205 . 10 0 1 A 23 23 ARG H H 23 7.570 8.242 -0.672 1
1 206 . 10 0 1 A 23 23 ARG HA H 23 4.384 4.275 0.109 1
1 212 . 10 0 1 A 23 23 ARG CA C 23 56.733 57.388 -0.655 1
1 213 . 10 0 1 A 23 23 ARG CB C 23 33.160 29.863 3.297 1
1 216 . 10 0 1 A 23 23 ARG N N 23 117.100 116.072 1.028 1
1 218 . 10 0 1 A 24 24 ILE H H 24 7.041 7.385 -0.344 1
1 219 . 10 0 1 A 24 24 ILE HA H 24 4.653 4.194 0.459 1
1 229 . 10 0 1 A 24 24 ILE CA C 24 60.889 61.225 -0.336 1
1 230 . 10 0 1 A 24 24 ILE CB C 24 40.480 38.597 1.883 1
1 234 . 10 0 1 A 24 24 ILE N N 24 112.510 122.977 -10.467 1
1 235 . 10 0 1 A 25 25 SER H H 25 8.441 8.827 -0.386 1
1 236 . 10 0 1 A 25 25 SER HA H 25 4.572 4.606 -0.034 1
1 239 . 10 0 1 A 25 25 SER CA C 25 58.047 59.135 -1.088 1
1 240 . 10 0 1 A 25 25 SER CB C 25 63.703 65.613 -1.910 1
1 241 . 10 0 1 A 25 25 SER N N 25 116.820 119.520 -2.700 1
1 242 . 10 0 1 A 26 26 PRO HA H 26 4.457 4.483 -0.026 1
1 248 . 10 0 1 A 26 26 PRO CA C 26 66.703 62.465 4.238 1
1 249 . 10 0 1 A 26 26 PRO CB C 26 32.374 32.827 -0.453 1
1 252 . 10 0 1 A 27 27 GLU H H 27 8.543 8.688 -0.145 1
1 253 . 10 0 1 A 27 27 GLU HA H 27 4.170 4.142 0.028 1
1 257 . 10 0 1 A 27 27 GLU CA C 27 60.003 58.792 1.211 1
1 258 . 10 0 1 A 27 27 GLU CB C 27 27.944 29.116 -1.172 1
1 260 . 10 0 1 A 27 27 GLU N N 27 117.750 121.646 -3.896 1
1 261 . 10 0 1 A 28 28 THR H H 28 8.099 7.773 0.326 1
1 262 . 10 0 1 A 28 28 THR HA H 28 4.178 3.136 1.042 1
1 267 . 10 0 1 A 28 28 THR CA C 28 67.201 65.734 1.467 1
1 268 . 10 0 1 A 28 28 THR CB C 28 67.314 69.212 -1.898 1
1 270 . 10 0 1 A 28 28 THR N N 28 122.040 115.289 6.751 1
1 271 . 10 0 1 A 29 29 ASN H H 29 8.621 8.008 0.613 1
1 272 . 10 0 1 A 29 29 ASN HA H 29 4.522 4.503 0.019 1
1 276 . 10 0 1 A 29 29 ASN CA C 29 58.319 56.257 2.062 1
1 277 . 10 0 1 A 29 29 ASN CB C 29 39.553 38.349 1.204 1
1 278 . 10 0 1 A 29 29 ASN N N 29 122.850 118.870 3.980 1
1 280 . 10 0 1 A 30 30 ALA H H 30 8.185 8.133 0.052 1
1 281 . 10 0 1 A 30 30 ALA HA H 30 4.141 4.166 -0.025 1
1 285 . 10 0 1 A 30 30 ALA CA C 30 55.716 55.162 0.554 1
1 286 . 10 0 1 A 30 30 ALA CB C 30 17.815 18.336 -0.521 1
1 287 . 10 0 1 A 30 30 ALA N N 30 123.330 122.563 0.767 1
1 288 . 10 0 1 A 31 31 ALA H H 31 7.852 8.372 -0.520 1
1 289 . 10 0 1 A 31 31 ALA HA H 31 4.182 4.056 0.126 1
1 293 . 10 0 1 A 31 31 ALA CA C 31 55.395 54.990 0.405 1
1 294 . 10 0 1 A 31 31 ALA CB C 31 18.712 18.567 0.145 1
1 295 . 10 0 1 A 31 31 ALA N N 31 122.920 119.664 3.256 1
1 296 . 10 0 1 A 32 32 PHE H H 32 8.497 7.491 1.006 1
1 297 . 10 0 1 A 32 32 PHE HA H 32 4.300 4.347 -0.047 1
1 303 . 10 0 1 A 32 32 PHE CA C 32 59.972 61.669 -1.697 1
1 304 . 10 0 1 A 32 32 PHE CB C 32 39.152 38.211 0.941 1
1 308 . 10 0 1 A 32 32 PHE N N 32 123.980 116.393 7.587 1
1 309 . 10 0 1 A 33 33 ASP H H 33 8.380 8.269 0.111 1
1 310 . 10 0 1 A 33 33 ASP HA H 33 4.298 4.332 -0.034 1
1 313 . 10 0 1 A 33 33 ASP CA C 33 57.394 57.963 -0.569 1
1 314 . 10 0 1 A 33 33 ASP CB C 33 38.380 41.657 -3.277 1
1 315 . 10 0 1 A 33 33 ASP N N 33 119.640 120.227 -0.587 1
1 316 . 10 0 1 A 34 34 ASN H H 34 7.854 8.118 -0.264 1
1 317 . 10 0 1 A 34 34 ASN HA H 34 4.410 4.433 -0.023 1
1 321 . 10 0 1 A 34 34 ASN CA C 34 56.974 56.649 0.325 1
1 322 . 10 0 1 A 34 34 ASN CB C 34 38.740 38.791 -0.051 1
1 323 . 10 0 1 A 34 34 ASN N N 34 119.710 117.647 2.063 1
1 325 . 10 0 1 A 35 35 ALA H H 35 7.743 7.699 0.044 1
1 326 . 10 0 1 A 35 35 ALA HA H 35 2.999 3.987 -0.988 1
1 330 . 10 0 1 A 35 35 ALA CA C 35 55.881 55.060 0.821 1
1 331 . 10 0 1 A 35 35 ALA CB C 35 17.360 18.394 -1.034 1
1 332 . 10 0 1 A 35 35 ALA N N 35 123.520 121.530 1.990 1
1 333 . 10 0 1 A 36 36 VAL H H 36 7.802 9.203 -1.401 1
1 334 . 10 0 1 A 36 36 VAL HA H 36 2.973 3.623 -0.650 1
1 342 . 10 0 1 A 36 36 VAL CA C 36 67.829 66.221 1.608 1
1 343 . 10 0 1 A 36 36 VAL CB C 36 32.410 31.404 1.006 1
1 346 . 10 0 1 A 36 36 VAL N N 36 115.430 118.114 -2.684 1
1 347 . 10 0 1 A 37 37 GLN H H 37 7.027 7.862 -0.835 1
1 348 . 10 0 1 A 37 37 GLN HA H 37 4.093 3.873 0.220 1
1 353 . 10 0 1 A 37 37 GLN CA C 37 59.039 59.102 -0.063 1
1 354 . 10 0 1 A 37 37 GLN CB C 37 28.910 28.614 0.296 1
1 356 . 10 0 1 A 37 37 GLN N N 37 116.140 121.104 -4.964 1
1 358 . 10 0 1 A 38 38 GLN H H 38 8.443 7.937 0.506 1
1 359 . 10 0 1 A 38 38 GLN HA H 38 3.939 3.976 -0.037 1
1 365 . 10 0 1 A 38 38 GLN CA C 38 58.748 58.911 -0.163 1
1 366 . 10 0 1 A 38 38 GLN CB C 38 28.854 28.519 0.335 1
1 368 . 10 0 1 A 38 38 GLN N N 38 120.080 118.747 1.333 1
1 370 . 10 0 1 A 39 39 LEU H H 39 7.565 7.514 0.051 1
1 371 . 10 0 1 A 39 39 LEU HA H 39 4.199 4.207 -0.008 1
1 380 . 10 0 1 A 39 39 LEU CA C 39 54.901 56.530 -1.629 1
1 381 . 10 0 1 A 39 39 LEU CB C 39 42.208 42.745 -0.537 1
1 383 . 10 0 1 A 39 39 LEU N N 39 117.930 116.071 1.859 1
1 384 . 10 0 1 A 40 40 ASN H H 40 7.976 7.986 -0.010 1
1 385 . 10 0 1 A 40 40 ASN HA H 40 4.313 4.881 -0.568 1
1 389 . 10 0 1 A 40 40 ASN CA C 40 54.625 53.980 0.645 1
1 390 . 10 0 1 A 40 40 ASN CB C 40 36.903 36.494 0.409 1
1 391 . 10 0 1 A 40 40 ASN N N 40 118.780 117.052 1.728 1
1 393 . 10 0 1 A 41 41 CYS H H 41 7.833 7.573 0.260 1
1 394 . 10 0 1 A 41 41 CYS HA H 41 4.888 4.646 0.242 1
1 397 . 10 0 1 A 41 41 CYS CA C 41 55.148 56.903 -1.755 1
1 398 . 10 0 1 A 41 41 CYS CB C 41 42.078 43.156 -1.078 1
1 399 . 10 0 1 A 41 41 CYS N N 41 115.600 121.037 -5.437 1
1 400 . 10 0 1 A 42 42 LEU H H 42 8.371 7.939 0.432 1
1 401 . 10 0 1 A 42 42 LEU HA H 42 4.340 3.950 0.390 1
1 410 . 10 0 1 A 42 42 LEU CA C 42 55.342 56.538 -1.196 1
1 411 . 10 0 1 A 42 42 LEU CB C 42 43.358 40.021 3.337 1
1 415 . 10 0 1 A 42 42 LEU N N 42 116.770 120.163 -3.393 1
1 416 . 10 0 1 A 43 43 ASN H H 43 7.025 7.827 -0.802 1
1 417 . 10 0 1 A 43 43 ASN HA H 43 4.767 5.063 -0.296 1
1 422 . 10 0 1 A 43 43 ASN CA C 43 51.715 52.604 -0.889 1
1 423 . 10 0 1 A 43 43 ASN CB C 43 41.011 41.231 -0.220 1
1 424 . 10 0 1 A 43 43 ASN N N 43 111.360 116.782 -5.422 1
1 426 . 10 0 1 A 44 44 ARG H H 44 8.735 8.995 -0.260 1
1 427 . 10 0 1 A 44 44 ARG HA H 44 3.868 4.220 -0.352 1
1 431 . 10 0 1 A 44 44 ARG CA C 44 60.307 58.361 1.946 1
1 432 . 10 0 1 A 44 44 ARG CB C 44 30.895 30.090 0.805 1
1 433 . 10 0 1 A 44 44 ARG N N 44 118.870 125.664 -6.794 1
1 434 . 10 0 1 A 45 45 ALA H H 45 8.381 8.086 0.295 1
1 435 . 10 0 1 A 45 45 ALA HA H 45 3.814 4.070 -0.256 1
1 439 . 10 0 1 A 45 45 ALA CA C 45 56.384 55.270 1.114 1
1 440 . 10 0 1 A 45 45 ALA CB C 45 17.800 18.051 -0.251 1
1 441 . 10 0 1 A 45 45 ALA N N 45 125.360 121.291 4.069 1
1 442 . 10 0 1 A 46 46 CYS H H 46 8.027 8.238 -0.211 1
1 443 . 10 0 1 A 46 46 CYS HA H 46 4.168 4.250 -0.082 1
1 446 . 10 0 1 A 46 46 CYS CA C 46 59.006 60.062 -1.056 1
1 447 . 10 0 1 A 46 46 CYS CB C 46 33.410 41.154 -7.744 1
1 448 . 10 0 1 A 46 46 CYS N N 46 117.400 115.732 1.668 1
1 449 . 10 0 1 A 47 47 ALA H H 47 7.144 7.607 -0.463 1
1 450 . 10 0 1 A 47 47 ALA HA H 47 3.837 4.005 -0.168 1
1 454 . 10 0 1 A 47 47 ALA CA C 47 55.130 55.077 0.053 1
1 455 . 10 0 1 A 47 47 ALA CB C 47 19.618 18.616 1.002 1
1 456 . 10 0 1 A 47 47 ALA N N 47 123.130 122.525 0.605 1
1 457 . 10 0 1 A 48 48 TYR H H 48 8.841 8.607 0.234 1
1 458 . 10 0 1 A 48 48 TYR HA H 48 3.896 4.320 -0.424 1
1 462 . 10 0 1 A 48 48 TYR CA C 48 63.769 61.907 1.862 1
1 463 . 10 0 1 A 48 48 TYR CB C 48 40.446 37.806 2.640 1
1 466 . 10 0 1 A 48 48 TYR N N 48 120.860 116.640 4.220 1
1 467 . 10 0 1 A 49 49 ARG H H 49 8.501 8.367 0.134 1
1 468 . 10 0 1 A 49 49 ARG HA H 49 3.840 4.272 -0.432 1
1 470 . 10 0 1 A 49 49 ARG CA C 49 60.324 59.623 0.701 1
1 471 . 10 0 1 A 49 49 ARG CB C 49 29.890 29.790 0.100 1
1 472 . 10 0 1 A 49 49 ARG N N 49 117.110 120.464 -3.354 1
1 473 . 10 0 1 A 50 50 LYS H H 50 7.817 7.822 -0.005 1
1 474 . 10 0 1 A 50 50 LYS HA H 50 3.965 4.155 -0.190 1
1 477 . 10 0 1 A 50 50 LYS CA C 50 61.111 59.005 2.106 1
1 478 . 10 0 1 A 50 50 LYS CB C 50 33.272 31.709 1.563 1
1 479 . 10 0 1 A 50 50 LYS N N 50 119.510 119.057 0.453 1
1 480 . 10 0 1 A 51 51 MET H H 51 7.934 7.866 0.068 1
1 481 . 10 0 1 A 51 51 MET HA H 51 4.199 4.053 0.146 1
1 484 . 10 0 1 A 51 51 MET CA C 51 60.407 58.512 1.895 1
1 485 . 10 0 1 A 51 51 MET CB C 51 33.492 32.027 1.465 1
1 487 . 10 0 1 A 51 51 MET N N 51 119.740 118.617 1.123 1
1 488 . 10 0 1 A 52 52 CYS H H 52 8.545 8.682 -0.137 1
1 489 . 10 0 1 A 52 52 CYS HA H 52 4.018 4.366 -0.348 1
1 492 . 10 0 1 A 52 52 CYS CA C 52 60.109 58.552 1.557 1
1 493 . 10 0 1 A 52 52 CYS CB C 52 40.790 41.857 -1.067 1
1 494 . 10 0 1 A 52 52 CYS N N 52 119.160 116.635 2.525 1
1 495 . 10 0 1 A 53 53 ALA H H 53 7.626 7.610 0.016 1
1 496 . 10 0 1 A 53 53 ALA HA H 53 4.182 4.187 -0.005 1
1 500 . 10 0 1 A 53 53 ALA CA C 53 54.149 54.585 -0.436 1
1 501 . 10 0 1 A 53 53 ALA CB C 53 18.492 19.380 -0.888 1
1 502 . 10 0 1 A 53 53 ALA N N 53 122.360 123.329 -0.969 1
1 503 . 10 0 1 A 54 54 THR H H 54 7.041 8.477 -1.436 1
1 504 . 10 0 1 A 54 54 THR HA H 54 4.180 4.655 -0.475 1
1 509 . 10 0 1 A 54 54 THR CA C 54 63.143 63.475 -0.332 1
1 510 . 10 0 1 A 54 54 THR CB C 54 71.301 71.344 -0.043 1
1 512 . 10 0 1 A 54 54 THR N N 54 107.780 109.600 -1.820 1
1 513 . 10 0 1 A 55 55 ASN H H 55 8.071 7.844 0.227 1
1 514 . 10 0 1 A 55 55 ASN HA H 55 4.409 5.027 -0.618 1
1 518 . 10 0 1 A 55 55 ASN CA C 55 55.475 52.465 3.010 1
1 519 . 10 0 1 A 55 55 ASN CB C 55 38.226 40.677 -2.451 1
1 520 . 10 0 1 A 55 55 ASN N N 55 114.220 115.002 -0.782 1
1 522 . 10 0 1 A 56 56 ASN H H 56 7.751 8.397 -0.646 1
1 523 . 10 0 1 A 56 56 ASN HA H 56 4.598 4.745 -0.147 1
1 528 . 10 0 1 A 56 56 ASN CA C 56 53.301 54.679 -1.378 1
1 529 . 10 0 1 A 56 56 ASN CB C 56 38.408 39.943 -1.535 1
1 530 . 10 0 1 A 56 56 ASN N N 56 117.400 116.823 0.577 1
1 532 . 10 0 1 A 57 57 LEU H H 57 8.623 8.292 0.331 1
1 533 . 10 0 1 A 57 57 LEU HA H 57 3.783 4.026 -0.243 1
1 536 . 10 0 1 A 57 57 LEU CA C 57 58.796 57.701 1.095 1
1 537 . 10 0 1 A 57 57 LEU CB C 57 42.709 41.029 1.680 1
1 538 . 10 0 1 A 57 57 LEU N N 57 127.190 120.139 7.051 1
1 539 . 10 0 1 A 58 58 GLU H H 58 8.353 8.622 -0.269 1
1 540 . 10 0 1 A 58 58 GLU HA H 58 3.792 4.688 -0.896 1
1 543 . 10 0 1 A 58 58 GLU CA C 58 60.263 58.421 1.842 1
1 544 . 10 0 1 A 58 58 GLU CB C 58 27.565 28.107 -0.542 1
1 546 . 10 0 1 A 58 58 GLU N N 58 117.370 121.483 -4.113 1
1 547 . 10 0 1 A 59 59 GLN H H 59 7.434 8.272 -0.838 1
1 548 . 10 0 1 A 59 59 GLN HA H 59 3.850 4.036 -0.186 1
1 553 . 10 0 1 A 59 59 GLN CA C 59 58.858 58.531 0.327 1
1 554 . 10 0 1 A 59 59 GLN CB C 59 28.858 28.529 0.329 1
1 556 . 10 0 1 A 59 59 GLN N N 59 119.730 118.745 0.985 1
1 558 . 10 0 1 A 60 60 ALA H H 60 8.043 7.651 0.392 1
1 559 . 10 0 1 A 60 60 ALA HA H 60 4.090 3.848 0.242 1
1 563 . 10 0 1 A 60 60 ALA CA C 60 55.496 55.137 0.359 1
1 564 . 10 0 1 A 60 60 ALA CB C 60 19.168 18.732 0.436 1
1 565 . 10 0 1 A 60 60 ALA N N 60 124.010 121.710 2.300 1
1 566 . 10 0 1 A 61 61 MET H H 61 8.690 8.366 0.324 1
1 567 . 10 0 1 A 61 61 MET HA H 61 4.240 3.841 0.399 1
1 571 . 10 0 1 A 61 61 MET CA C 61 59.964 58.007 1.957 1
1 572 . 10 0 1 A 61 61 MET CB C 61 34.709 32.160 2.549 1
1 574 . 10 0 1 A 61 61 MET N N 61 114.840 117.162 -2.322 1
1 575 . 10 0 1 A 62 62 SER H H 62 7.697 7.688 0.009 1
1 576 . 10 0 1 A 62 62 SER HA H 62 4.527 3.821 0.706 1
1 579 . 10 0 1 A 62 62 SER CA C 62 61.590 61.295 0.295 1
1 580 . 10 0 1 A 62 62 SER CB C 62 63.726 63.124 0.602 1
1 581 . 10 0 1 A 62 62 SER N N 62 115.290 114.993 0.297 1
1 582 . 10 0 1 A 63 63 VAL H H 63 6.876 7.492 -0.616 1
1 583 . 10 0 1 A 63 63 VAL HA H 63 3.366 3.625 -0.259 1
1 591 . 10 0 1 A 63 63 VAL CA C 63 65.247 66.255 -1.008 1
1 592 . 10 0 1 A 63 63 VAL CB C 63 32.621 31.540 1.081 1
1 595 . 10 0 1 A 63 63 VAL N N 63 120.720 121.673 -0.953 1
1 596 . 10 0 1 A 64 64 TYR H H 64 6.677 7.678 -1.001 1
1 597 . 10 0 1 A 64 64 TYR HA H 64 4.274 4.249 0.025 1
1 602 . 10 0 1 A 64 64 TYR CA C 64 57.735 60.074 -2.339 1
1 603 . 10 0 1 A 64 64 TYR CB C 64 42.007 38.546 3.461 1
1 606 . 10 0 1 A 64 64 TYR N N 64 115.320 118.782 -3.462 1
1 607 . 10 0 1 A 65 65 PHE H H 65 8.052 7.368 0.684 1
1 608 . 10 0 1 A 65 65 PHE HA H 65 5.160 4.812 0.348 1
1 614 . 10 0 1 A 65 65 PHE CA C 65 56.486 56.447 0.039 1
1 615 . 10 0 1 A 65 65 PHE CB C 65 43.296 40.616 2.680 1
1 619 . 10 0 1 A 65 65 PHE N N 65 117.410 117.037 0.373 1
1 620 . 10 0 1 A 66 66 THR H H 66 8.302 8.668 -0.366 1
1 621 . 10 0 1 A 66 66 THR HA H 66 4.657 4.995 -0.338 1
1 626 . 10 0 1 A 66 66 THR CA C 66 60.932 60.158 0.774 1
1 627 . 10 0 1 A 66 66 THR CB C 66 71.138 71.963 -0.825 1
1 629 . 10 0 1 A 66 66 THR N N 66 111.430 110.605 0.825 1
1 630 . 10 0 1 A 67 67 ASN H H 67 9.025 9.019 0.006 1
1 631 . 10 0 1 A 67 67 ASN HA H 67 4.223 4.441 -0.218 1
1 636 . 10 0 1 A 67 67 ASN CA C 67 57.459 56.892 0.567 1
1 637 . 10 0 1 A 67 67 ASN CB C 67 38.180 39.128 -0.948 1
1 638 . 10 0 1 A 67 67 ASN N N 67 120.120 120.188 -0.068 1
1 640 . 10 0 1 A 68 68 GLU H H 68 8.403 8.363 0.040 1
1 641 . 10 0 1 A 68 68 GLU HA H 68 3.956 4.027 -0.071 1
1 645 . 10 0 1 A 68 68 GLU CA C 68 59.700 59.125 0.575 1
1 646 . 10 0 1 A 68 68 GLU CB C 68 28.105 28.852 -0.747 1
1 648 . 10 0 1 A 68 68 GLU N N 68 120.220 117.680 2.540 1
1 649 . 10 0 1 A 69 69 GLN H H 69 7.411 7.680 -0.269 1
1 650 . 10 0 1 A 69 69 GLN HA H 69 3.822 3.937 -0.115 1
1 657 . 10 0 1 A 69 69 GLN CA C 69 58.952 58.926 0.026 1
1 658 . 10 0 1 A 69 69 GLN CB C 69 28.418 28.050 0.368 1
1 659 . 10 0 1 A 69 69 GLN N N 69 120.940 119.135 1.805 1
1 661 . 10 0 1 A 70 70 ILE H H 70 8.327 7.409 0.918 1
1 662 . 10 0 1 A 70 70 ILE HA H 70 3.036 3.630 -0.594 1
1 671 . 10 0 1 A 70 70 ILE CA C 70 66.926 61.924 5.002 1
1 672 . 10 0 1 A 70 70 ILE CB C 70 38.603 37.281 1.322 1
1 676 . 10 0 1 A 70 70 ILE N N 70 120.560 119.604 0.956 1
1 677 . 10 0 1 A 71 71 LYS H H 71 7.554 7.860 -0.306 1
1 678 . 10 0 1 A 71 71 LYS HA H 71 3.909 3.848 0.061 1
1 681 . 10 0 1 A 71 71 LYS CA C 71 60.156 60.446 -0.290 1
1 682 . 10 0 1 A 71 71 LYS CB C 71 32.294 31.991 0.303 1
1 683 . 10 0 1 A 71 71 LYS N N 71 121.040 122.041 -1.001 1
1 684 . 10 0 1 A 72 72 GLU H H 72 7.885 7.866 0.019 1
1 685 . 10 0 1 A 72 72 GLU HA H 72 3.989 4.126 -0.137 1
1 688 . 10 0 1 A 72 72 GLU CA C 72 60.266 59.192 1.074 1
1 689 . 10 0 1 A 72 72 GLU CB C 72 30.213 29.357 0.856 1
1 691 . 10 0 1 A 72 72 GLU N N 72 119.670 119.826 -0.156 1
1 692 . 10 0 1 A 73 73 ILE H H 73 8.193 7.818 0.375 1
1 693 . 10 0 1 A 73 73 ILE HA H 73 3.312 3.975 -0.663 1
1 703 . 10 0 1 A 73 73 ILE CA C 73 66.520 63.325 3.195 1
1 704 . 10 0 1 A 73 73 ILE CB C 73 38.344 37.462 0.882 1
1 708 . 10 0 1 A 73 73 ILE N N 73 121.390 120.172 1.218 1
1 709 . 10 0 1 A 74 74 HIS H H 74 8.624 8.147 0.477 1
1 710 . 10 0 1 A 74 74 HIS HA H 74 4.174 4.134 0.040 1
1 714 . 10 0 1 A 74 74 HIS CA C 74 59.179 60.081 -0.902 1
1 715 . 10 0 1 A 74 74 HIS CB C 74 28.498 30.110 -1.612 1
1 718 . 10 0 1 A 74 74 HIS N N 74 119.430 121.672 -2.242 1
1 719 . 10 0 1 A 75 75 ASP H H 75 8.824 7.961 0.863 1
1 720 . 10 0 1 A 75 75 ASP HA H 75 4.276 4.133 0.143 1
1 722 . 10 0 1 A 75 75 ASP CA C 75 56.474 56.821 -0.347 1
1 723 . 10 0 1 A 75 75 ASP CB C 75 38.100 40.259 -2.159 1
1 724 . 10 0 1 A 75 75 ASP N N 75 119.980 119.190 0.790 1
1 725 . 10 0 1 A 76 76 ALA H H 76 8.064 8.287 -0.223 1
1 726 . 10 0 1 A 76 76 ALA HA H 76 4.012 4.178 -0.166 1
1 730 . 10 0 1 A 76 76 ALA CA C 76 54.988 54.832 0.156 1
1 731 . 10 0 1 A 76 76 ALA CB C 76 20.747 18.157 2.590 1
1 732 . 10 0 1 A 76 76 ALA N N 76 125.030 122.317 2.713 1
1 733 . 10 0 1 A 77 77 ALA H H 77 8.659 8.032 0.627 1
1 734 . 10 0 1 A 77 77 ALA HA H 77 3.613 4.145 -0.532 1
1 738 . 10 0 1 A 77 77 ALA CA C 77 55.772 53.003 2.769 1
1 739 . 10 0 1 A 77 77 ALA CB C 77 18.217 18.786 -0.569 1
1 740 . 10 0 1 A 77 77 ALA N N 77 122.060 119.606 2.454 1
1 741 . 10 0 1 A 78 78 THR H H 78 7.651 7.620 0.031 1
1 742 . 10 0 1 A 78 78 THR HA H 78 3.762 3.898 -0.136 1
1 747 . 10 0 1 A 78 78 THR CA C 78 66.360 65.575 0.785 1
1 748 . 10 0 1 A 78 78 THR CB C 78 68.873 68.924 -0.051 1
1 750 . 10 0 1 A 78 78 THR N N 78 113.580 113.204 0.376 1
1 751 . 10 0 1 A 79 79 ALA H H 79 7.291 7.424 -0.133 1
1 752 . 10 0 1 A 79 79 ALA HA H 79 4.022 4.218 -0.196 1
1 756 . 10 0 1 A 79 79 ALA CA C 79 54.713 51.570 3.143 1
1 757 . 10 0 1 A 79 79 ALA CB C 79 18.695 18.652 0.043 1
1 758 . 10 0 1 A 79 79 ALA N N 79 123.330 118.729 4.601 1
1 759 . 10 0 1 A 80 80 CYS H H 80 7.781 8.016 -0.235 1
1 760 . 10 0 1 A 80 80 CYS HA H 80 4.295 5.389 -1.094 1
1 762 . 10 0 1 A 80 80 CYS CA C 80 57.577 56.990 0.587 1
1 763 . 10 0 1 A 80 80 CYS CB C 80 43.192 40.050 3.142 1
1 764 . 10 0 1 A 80 80 CYS N N 80 115.190 115.071 0.119 1
1 765 . 10 0 1 A 81 81 ASP H H 81 7.323 7.976 -0.653 1
1 766 . 10 0 1 A 81 81 ASP HA H 81 4.743 5.096 -0.353 1
1 769 . 10 0 1 A 81 81 ASP CA C 81 52.419 51.470 0.949 1
1 770 . 10 0 1 A 81 81 ASP CB C 81 40.376 41.307 -0.931 1
1 771 . 10 0 1 A 81 81 ASP N N 81 121.570 120.362 1.208 1
1 772 . 10 0 1 A 82 82 PRO HA H 82 4.312 4.405 -0.093 1
1 777 . 10 0 1 A 82 82 PRO CA C 82 64.427 64.383 0.044 1
1 778 . 10 0 1 A 82 82 PRO CB C 82 32.685 32.044 0.641 1
1 780 . 10 0 1 A 83 83 GLU H H 83 8.036 8.131 -0.095 1
1 781 . 10 0 1 A 83 83 GLU HA H 83 4.126 4.188 -0.062 1
1 785 . 10 0 1 A 83 83 GLU CA C 83 56.523 59.394 -2.871 1
1 786 . 10 0 1 A 83 83 GLU CB C 83 28.819 30.286 -1.467 1
1 788 . 10 0 1 A 83 83 GLU N N 83 118.550 117.770 0.780 1
1 789 . 10 0 1 A 84 84 ALA H H 84 7.695 8.649 -0.954 1
1 790 . 10 0 1 A 84 84 ALA HA H 84 4.083 3.942 0.141 1
1 794 . 10 0 1 A 84 84 ALA CA C 84 52.963 54.774 -1.811 1
1 795 . 10 0 1 A 84 84 ALA CB C 84 19.516 18.158 1.358 1
1 796 . 10 0 1 A 84 84 ALA N N 84 123.730 120.698 3.032 1
1 797 . 10 0 1 A 85 85 HIS H H 85 8.078 8.359 -0.281 1
1 798 . 10 0 1 A 85 85 HIS HA H 85 4.529 4.515 0.014 1
1 803 . 10 0 1 A 85 85 HIS CA C 85 55.480 57.260 -1.780 1
1 804 . 10 0 1 A 85 85 HIS CB C 85 29.115 31.960 -2.845 1
1 807 . 10 0 1 A 85 85 HIS N N 85 117.030 113.033 3.997 1
1 808 . 10 0 1 A 86 86 HIS H H 86 8.352 7.963 0.389 1
1 809 . 10 0 1 A 86 86 HIS HA H 86 4.596 4.985 -0.389 1
1 814 . 10 0 1 A 86 86 HIS CA C 86 55.496 54.615 0.881 1
1 815 . 10 0 1 A 86 86 HIS CB C 86 29.414 33.446 -4.032 1
1 818 . 10 0 1 A 86 86 HIS N N 86 120.170 114.800 5.370 1
1 819 . 10 0 1 A 87 87 GLU H H 87 8.300 8.811 -0.511 1
1 820 . 10 0 1 A 87 87 GLU HA H 87 4.194 4.242 -0.048 1
1 823 . 10 0 1 A 87 87 GLU CA C 87 56.264 59.079 -2.815 1
1 824 . 10 0 1 A 87 87 GLU CB C 87 29.329 29.759 -0.430 1
1 826 . 10 0 1 A 87 87 GLU N N 87 121.850 122.987 -1.137 1
1 827 . 10 0 1 A 88 88 HIS H H 88 8.524 8.209 0.315 1
1 828 . 10 0 1 A 88 88 HIS HA H 88 4.597 4.209 0.388 1
1 832 . 10 0 1 A 88 88 HIS CA C 88 55.621 56.785 -1.164 1
1 833 . 10 0 1 A 88 88 HIS CB C 88 29.150 27.975 1.175 1
1 836 . 10 0 1 A 88 88 HIS N N 88 119.750 118.609 1.141 1
1 837 . 10 0 1 A 89 89 ASP H H 89 8.343 7.937 0.406 1
1 838 . 10 0 1 A 89 89 ASP HA H 89 4.579 4.096 0.483 1
1 840 . 10 0 1 A 89 89 ASP CA C 89 53.805 54.611 -0.806 1
1 841 . 10 0 1 A 89 89 ASP CB C 89 38.560 41.401 -2.841 1
1 842 . 10 0 1 A 89 89 ASP N N 89 120.950 126.696 -5.746 1
1 9 . 11 0 1 A 2 2 HIS H H 2 8.902 8.321 0.581 1
1 10 . 11 0 1 A 2 2 HIS HA H 2 4.665 4.401 0.264 1
1 14 . 11 0 1 A 2 2 HIS CA C 2 55.744 56.357 -0.613 1
1 15 . 11 0 1 A 2 2 HIS CB C 2 29.481 29.186 0.295 1
1 18 . 11 0 1 A 2 2 HIS N N 2 122.160 116.423 5.737 1
1 19 . 11 0 1 A 3 3 GLN H H 3 8.624 8.180 0.444 1
1 20 . 11 0 1 A 3 3 GLN HA H 3 4.265 3.766 0.499 1
1 24 . 11 0 1 A 3 3 GLN CA C 3 55.961 56.798 -0.837 1
1 25 . 11 0 1 A 3 3 GLN CB C 3 29.727 26.309 3.418 1
1 27 . 11 0 1 A 3 3 GLN N N 3 123.710 123.808 -0.098 1
1 29 . 11 0 1 A 4 4 GLU H H 4 8.499 7.577 0.922 1
1 30 . 11 0 1 A 4 4 GLU HA H 4 4.250 4.764 -0.514 1
1 33 . 11 0 1 A 4 4 GLU CA C 4 56.888 55.010 1.878 1
1 34 . 11 0 1 A 4 4 GLU CB C 4 29.316 31.340 -2.024 1
1 36 . 11 0 1 A 4 4 GLU N N 4 123.160 116.167 6.993 1
1 37 . 11 0 1 A 5 5 LEU H H 5 8.464 9.150 -0.686 1
1 38 . 11 0 1 A 5 5 LEU HA H 5 4.004 3.894 0.110 1
1 50 . 11 0 1 A 5 5 LEU N N 5 123.070 120.036 3.034 1
1 51 . 11 0 1 A 6 6 CYS H H 6 7.980 8.346 -0.366 1
1 52 . 11 0 1 A 6 6 CYS HA H 6 4.565 4.392 0.173 1
1 55 . 11 0 1 A 6 6 CYS N N 6 113.540 111.133 2.407 1
1 56 . 11 0 1 A 7 7 THR H H 7 7.639 7.882 -0.243 1
1 57 . 11 0 1 A 7 7 THR HA H 7 4.344 4.101 0.243 1
1 62 . 11 0 1 A 7 7 THR CA C 7 61.772 65.379 -3.607 1
1 63 . 11 0 1 A 7 7 THR CB C 7 69.825 68.910 0.915 1
1 65 . 11 0 1 A 7 7 THR N N 7 108.740 115.353 -6.613 1
1 66 . 11 0 1 A 8 8 LYS H H 8 7.380 7.679 -0.299 1
1 67 . 11 0 1 A 8 8 LYS HA H 8 4.174 4.607 -0.433 1
1 72 . 11 0 1 A 8 8 LYS CA C 8 56.632 55.325 1.307 1
1 73 . 11 0 1 A 8 8 LYS CB C 8 34.166 31.405 2.761 1
1 75 . 11 0 1 A 8 8 LYS N N 8 122.500 119.270 3.230 1
1 76 . 11 0 1 A 9 9 GLY H H 9 8.554 8.445 0.109 1
1 77 . 11 0 1 A 9 9 GLY HA2 H 9 4.027 3.822 0.205 1
1 78 . 11 0 1 A 9 9 GLY HA3 H 9 3.868 3.824 0.044 1
1 79 . 11 0 1 A 9 9 GLY CA C 9 45.101 47.328 -2.227 1
1 80 . 11 0 1 A 9 9 GLY N N 9 108.960 109.536 -0.576 1
1 81 . 11 0 1 A 10 10 ASP H H 10 8.455 8.015 0.440 1
1 82 . 11 0 1 A 10 10 ASP HA H 10 4.146 4.356 -0.210 1
1 84 . 11 0 1 A 10 10 ASP CA C 10 57.568 56.956 0.612 1
1 85 . 11 0 1 A 10 10 ASP CB C 10 38.723 40.846 -2.123 1
1 86 . 11 0 1 A 10 10 ASP N N 10 118.550 121.227 -2.677 1
1 87 . 11 0 1 A 11 11 ASP H H 11 8.538 8.289 0.249 1
1 88 . 11 0 1 A 11 11 ASP HA H 11 4.262 4.373 -0.111 1
1 90 . 11 0 1 A 11 11 ASP CA C 11 56.696 57.187 -0.491 1
1 91 . 11 0 1 A 11 11 ASP CB C 11 37.812 40.665 -2.853 1
1 92 . 11 0 1 A 11 11 ASP N N 11 118.150 119.835 -1.685 1
1 93 . 11 0 1 A 12 12 ALA H H 12 7.935 7.890 0.045 1
1 94 . 11 0 1 A 12 12 ALA HA H 12 4.052 4.080 -0.028 1
1 98 . 11 0 1 A 12 12 ALA CA C 12 55.104 54.836 0.268 1
1 99 . 11 0 1 A 12 12 ALA CB C 12 19.122 18.180 0.942 1
1 100 . 11 0 1 A 12 12 ALA N N 12 123.880 121.740 2.140 1
1 101 . 11 0 1 A 13 13 LEU H H 13 8.367 7.741 0.626 1
1 102 . 11 0 1 A 13 13 LEU HA H 13 4.524 4.121 0.403 1
1 104 . 11 0 1 A 13 13 LEU CA C 13 54.138 57.285 -3.147 1
1 105 . 11 0 1 A 13 13 LEU CB C 13 39.063 41.653 -2.590 1
1 106 . 11 0 1 A 13 13 LEU N N 13 120.800 119.725 1.075 1
1 107 . 11 0 1 A 14 14 VAL H H 14 8.127 8.389 -0.262 1
1 108 . 11 0 1 A 14 14 VAL HA H 14 3.354 3.555 -0.201 1
1 116 . 11 0 1 A 14 14 VAL CA C 14 67.895 66.816 1.079 1
1 117 . 11 0 1 A 14 14 VAL CB C 14 32.471 31.559 0.912 1
1 120 . 11 0 1 A 14 14 VAL N N 14 121.290 118.953 2.337 1
1 121 . 11 0 1 A 15 15 THR H H 15 7.813 8.105 -0.292 1
1 122 . 11 0 1 A 15 15 THR HA H 15 3.824 3.793 0.031 1
1 127 . 11 0 1 A 15 15 THR CA C 15 66.838 67.302 -0.464 1
1 128 . 11 0 1 A 15 15 THR CB C 15 69.152 68.625 0.527 1
1 130 . 11 0 1 A 15 15 THR N N 15 115.770 116.913 -1.143 1
1 131 . 11 0 1 A 16 16 GLU H H 16 8.201 8.435 -0.234 1
1 132 . 11 0 1 A 16 16 GLU HA H 16 4.134 3.941 0.193 1
1 136 . 11 0 1 A 16 16 GLU CA C 16 60.219 59.163 1.056 1
1 137 . 11 0 1 A 16 16 GLU CB C 16 27.443 29.419 -1.976 1
1 139 . 11 0 1 A 16 16 GLU N N 16 123.330 120.044 3.286 1
1 140 . 11 0 1 A 17 17 LEU H H 17 8.637 8.249 0.388 1
1 141 . 11 0 1 A 17 17 LEU HA H 17 3.779 3.930 -0.151 1
1 145 . 11 0 1 A 17 17 LEU CA C 17 58.646 58.105 0.541 1
1 146 . 11 0 1 A 17 17 LEU CB C 17 41.289 41.213 0.076 1
1 147 . 11 0 1 A 17 17 LEU N N 17 119.350 119.174 0.176 1
1 148 . 11 0 1 A 18 18 GLU H H 18 7.903 8.256 -0.353 1
1 149 . 11 0 1 A 18 18 GLU HA H 18 4.048 4.048 0.000 1
1 153 . 11 0 1 A 18 18 GLU CA C 18 59.140 59.304 -0.164 1
1 154 . 11 0 1 A 18 18 GLU CB C 18 27.587 28.869 -1.282 1
1 156 . 11 0 1 A 18 18 GLU N N 18 122.730 118.269 4.461 1
1 157 . 11 0 1 A 19 19 CYS H H 19 7.231 7.590 -0.359 1
1 158 . 11 0 1 A 19 19 CYS HA H 19 4.135 4.481 -0.346 1
1 161 . 11 0 1 A 19 19 CYS CA C 19 60.041 57.111 2.930 1
1 162 . 11 0 1 A 19 19 CYS CB C 19 39.419 42.413 -2.994 1
1 163 . 11 0 1 A 19 19 CYS N N 19 120.230 117.906 2.324 1
1 164 . 11 0 1 A 20 20 ILE H H 20 8.433 7.555 0.878 1
1 165 . 11 0 1 A 20 20 ILE HA H 20 3.288 4.033 -0.745 1
1 174 . 11 0 1 A 20 20 ILE CA C 20 66.135 63.009 3.126 1
1 175 . 11 0 1 A 20 20 ILE CB C 20 39.423 38.174 1.249 1
1 179 . 11 0 1 A 20 20 ILE N N 20 122.030 118.651 3.379 1
1 180 . 11 0 1 A 21 21 ARG H H 21 7.644 7.784 -0.140 1
1 181 . 11 0 1 A 21 21 ARG HA H 21 3.823 4.171 -0.348 1
1 183 . 11 0 1 A 21 21 ARG CA C 21 59.557 58.200 1.357 1
1 184 . 11 0 1 A 21 21 ARG CB C 21 30.680 30.038 0.642 1
1 187 . 11 0 1 A 21 21 ARG N N 21 119.330 122.388 -3.058 1
1 188 . 11 0 1 A 22 22 LEU H H 22 6.877 7.696 -0.819 1
1 189 . 11 0 1 A 22 22 LEU HA H 22 4.111 4.225 -0.114 1
1 199 . 11 0 1 A 22 22 LEU CA C 22 56.458 54.106 2.352 1
1 200 . 11 0 1 A 22 22 LEU CB C 22 42.824 41.160 1.664 1
1 204 . 11 0 1 A 22 22 LEU N N 22 114.780 116.095 -1.315 1
1 205 . 11 0 1 A 23 23 ARG H H 23 7.570 8.163 -0.593 1
1 206 . 11 0 1 A 23 23 ARG HA H 23 4.384 4.100 0.284 1
1 212 . 11 0 1 A 23 23 ARG CA C 23 56.733 57.510 -0.777 1
1 213 . 11 0 1 A 23 23 ARG CB C 23 33.160 29.788 3.372 1
1 216 . 11 0 1 A 23 23 ARG N N 23 117.100 118.923 -1.823 1
1 218 . 11 0 1 A 24 24 ILE H H 24 7.041 8.421 -1.380 1
1 219 . 11 0 1 A 24 24 ILE HA H 24 4.653 3.964 0.689 1
1 229 . 11 0 1 A 24 24 ILE CA C 24 60.889 63.810 -2.921 1
1 230 . 11 0 1 A 24 24 ILE CB C 24 40.480 36.697 3.783 1
1 234 . 11 0 1 A 24 24 ILE N N 24 112.510 116.314 -3.804 1
1 235 . 11 0 1 A 25 25 SER H H 25 8.441 8.313 0.128 1
1 236 . 11 0 1 A 25 25 SER HA H 25 4.572 4.594 -0.022 1
1 239 . 11 0 1 A 25 25 SER CA C 25 58.047 59.445 -1.398 1
1 240 . 11 0 1 A 25 25 SER CB C 25 63.703 65.018 -1.315 1
1 241 . 11 0 1 A 25 25 SER N N 25 116.820 118.794 -1.974 1
1 242 . 11 0 1 A 26 26 PRO HA H 26 4.457 4.551 -0.094 1
1 248 . 11 0 1 A 26 26 PRO CA C 26 66.703 62.428 4.275 1
1 249 . 11 0 1 A 26 26 PRO CB C 26 32.374 32.899 -0.525 1
1 252 . 11 0 1 A 27 27 GLU H H 27 8.543 8.674 -0.131 1
1 253 . 11 0 1 A 27 27 GLU HA H 27 4.170 4.144 0.026 1
1 257 . 11 0 1 A 27 27 GLU CA C 27 60.003 59.062 0.941 1
1 258 . 11 0 1 A 27 27 GLU CB C 27 27.944 29.120 -1.176 1
1 260 . 11 0 1 A 27 27 GLU N N 27 117.750 121.400 -3.650 1
1 261 . 11 0 1 A 28 28 THR H H 28 8.099 7.910 0.189 1
1 262 . 11 0 1 A 28 28 THR HA H 28 4.178 3.597 0.581 1
1 267 . 11 0 1 A 28 28 THR CA C 28 67.201 65.999 1.202 1
1 268 . 11 0 1 A 28 28 THR CB C 28 67.314 69.553 -2.239 1
1 270 . 11 0 1 A 28 28 THR N N 28 122.040 115.586 6.454 1
1 271 . 11 0 1 A 29 29 ASN H H 29 8.621 8.233 0.388 1
1 272 . 11 0 1 A 29 29 ASN HA H 29 4.522 4.493 0.029 1
1 276 . 11 0 1 A 29 29 ASN CA C 29 58.319 56.278 2.041 1
1 277 . 11 0 1 A 29 29 ASN CB C 29 39.553 38.377 1.176 1
1 278 . 11 0 1 A 29 29 ASN N N 29 122.850 118.553 4.297 1
1 280 . 11 0 1 A 30 30 ALA H H 30 8.185 7.918 0.267 1
1 281 . 11 0 1 A 30 30 ALA HA H 30 4.141 4.007 0.134 1
1 285 . 11 0 1 A 30 30 ALA CA C 30 55.716 54.896 0.820 1
1 286 . 11 0 1 A 30 30 ALA CB C 30 17.815 18.482 -0.667 1
1 287 . 11 0 1 A 30 30 ALA N N 30 123.330 122.112 1.218 1
1 288 . 11 0 1 A 31 31 ALA H H 31 7.852 8.180 -0.328 1
1 289 . 11 0 1 A 31 31 ALA HA H 31 4.182 3.545 0.637 1
1 293 . 11 0 1 A 31 31 ALA CA C 31 55.395 54.706 0.689 1
1 294 . 11 0 1 A 31 31 ALA CB C 31 18.712 18.403 0.309 1
1 295 . 11 0 1 A 31 31 ALA N N 31 122.920 119.419 3.501 1
1 296 . 11 0 1 A 32 32 PHE H H 32 8.497 7.209 1.288 1
1 297 . 11 0 1 A 32 32 PHE HA H 32 4.300 4.322 -0.022 1
1 303 . 11 0 1 A 32 32 PHE CA C 32 59.972 60.939 -0.967 1
1 304 . 11 0 1 A 32 32 PHE CB C 32 39.152 38.239 0.913 1
1 308 . 11 0 1 A 32 32 PHE N N 32 123.980 116.328 7.652 1
1 309 . 11 0 1 A 33 33 ASP H H 33 8.380 7.995 0.385 1
1 310 . 11 0 1 A 33 33 ASP HA H 33 4.298 4.270 0.028 1
1 313 . 11 0 1 A 33 33 ASP CA C 33 57.394 57.325 0.069 1
1 314 . 11 0 1 A 33 33 ASP CB C 33 38.380 41.216 -2.836 1
1 315 . 11 0 1 A 33 33 ASP N N 33 119.640 120.461 -0.821 1
1 316 . 11 0 1 A 34 34 ASN H H 34 7.854 8.153 -0.299 1
1 317 . 11 0 1 A 34 34 ASN HA H 34 4.410 4.352 0.058 1
1 321 . 11 0 1 A 34 34 ASN CA C 34 56.974 55.304 1.670 1
1 322 . 11 0 1 A 34 34 ASN CB C 34 38.740 37.120 1.620 1
1 323 . 11 0 1 A 34 34 ASN N N 34 119.710 116.140 3.570 1
1 325 . 11 0 1 A 35 35 ALA H H 35 7.743 8.154 -0.411 1
1 326 . 11 0 1 A 35 35 ALA HA H 35 2.999 4.024 -1.025 1
1 330 . 11 0 1 A 35 35 ALA CA C 35 55.881 55.093 0.788 1
1 331 . 11 0 1 A 35 35 ALA CB C 35 17.360 18.695 -1.335 1
1 332 . 11 0 1 A 35 35 ALA N N 35 123.520 122.654 0.866 1
1 333 . 11 0 1 A 36 36 VAL H H 36 7.802 8.962 -1.160 1
1 334 . 11 0 1 A 36 36 VAL HA H 36 2.973 3.492 -0.519 1
1 342 . 11 0 1 A 36 36 VAL CA C 36 67.829 66.375 1.454 1
1 343 . 11 0 1 A 36 36 VAL CB C 36 32.410 31.230 1.180 1
1 346 . 11 0 1 A 36 36 VAL N N 36 115.430 117.937 -2.507 1
1 347 . 11 0 1 A 37 37 GLN H H 37 7.027 8.234 -1.207 1
1 348 . 11 0 1 A 37 37 GLN HA H 37 4.093 3.926 0.167 1
1 353 . 11 0 1 A 37 37 GLN CA C 37 59.039 58.876 0.163 1
1 354 . 11 0 1 A 37 37 GLN CB C 37 28.910 28.274 0.636 1
1 356 . 11 0 1 A 37 37 GLN N N 37 116.140 119.871 -3.731 1
1 358 . 11 0 1 A 38 38 GLN H H 38 8.443 7.928 0.515 1
1 359 . 11 0 1 A 38 38 GLN HA H 38 3.939 3.977 -0.038 1
1 365 . 11 0 1 A 38 38 GLN CA C 38 58.748 58.909 -0.161 1
1 366 . 11 0 1 A 38 38 GLN CB C 38 28.854 28.489 0.365 1
1 368 . 11 0 1 A 38 38 GLN N N 38 120.080 119.169 0.911 1
1 370 . 11 0 1 A 39 39 LEU H H 39 7.565 7.531 0.034 1
1 371 . 11 0 1 A 39 39 LEU HA H 39 4.199 4.230 -0.031 1
1 380 . 11 0 1 A 39 39 LEU CA C 39 54.901 56.208 -1.307 1
1 381 . 11 0 1 A 39 39 LEU CB C 39 42.208 41.852 0.356 1
1 383 . 11 0 1 A 39 39 LEU N N 39 117.930 116.806 1.124 1
1 384 . 11 0 1 A 40 40 ASN H H 40 7.976 8.073 -0.097 1
1 385 . 11 0 1 A 40 40 ASN HA H 40 4.313 4.549 -0.236 1
1 389 . 11 0 1 A 40 40 ASN CA C 40 54.625 53.954 0.671 1
1 390 . 11 0 1 A 40 40 ASN CB C 40 36.903 35.868 1.035 1
1 391 . 11 0 1 A 40 40 ASN N N 40 118.780 116.906 1.874 1
1 393 . 11 0 1 A 41 41 CYS H H 41 7.833 8.190 -0.357 1
1 394 . 11 0 1 A 41 41 CYS HA H 41 4.888 4.563 0.325 1
1 397 . 11 0 1 A 41 41 CYS CA C 41 55.148 56.463 -1.315 1
1 398 . 11 0 1 A 41 41 CYS CB C 41 42.078 42.522 -0.444 1
1 399 . 11 0 1 A 41 41 CYS N N 41 115.600 117.515 -1.915 1
1 400 . 11 0 1 A 42 42 LEU H H 42 8.371 8.001 0.370 1
1 401 . 11 0 1 A 42 42 LEU HA H 42 4.340 4.267 0.073 1
1 410 . 11 0 1 A 42 42 LEU CA C 42 55.342 56.929 -1.587 1
1 411 . 11 0 1 A 42 42 LEU CB C 42 43.358 41.859 1.499 1
1 415 . 11 0 1 A 42 42 LEU N N 42 116.770 121.052 -4.282 1
1 416 . 11 0 1 A 43 43 ASN H H 43 7.025 8.533 -1.508 1
1 417 . 11 0 1 A 43 43 ASN HA H 43 4.767 4.707 0.060 1
1 422 . 11 0 1 A 43 43 ASN CA C 43 51.715 53.527 -1.812 1
1 423 . 11 0 1 A 43 43 ASN CB C 43 41.011 39.189 1.822 1
1 424 . 11 0 1 A 43 43 ASN N N 43 111.360 115.784 -4.424 1
1 426 . 11 0 1 A 44 44 ARG H H 44 8.735 9.193 -0.458 1
1 427 . 11 0 1 A 44 44 ARG HA H 44 3.868 4.159 -0.291 1
1 431 . 11 0 1 A 44 44 ARG CA C 44 60.307 58.316 1.991 1
1 432 . 11 0 1 A 44 44 ARG CB C 44 30.895 30.391 0.504 1
1 433 . 11 0 1 A 44 44 ARG N N 44 118.870 121.520 -2.650 1
1 434 . 11 0 1 A 45 45 ALA H H 45 8.381 8.123 0.258 1
1 435 . 11 0 1 A 45 45 ALA HA H 45 3.814 4.025 -0.211 1
1 439 . 11 0 1 A 45 45 ALA CA C 45 56.384 54.845 1.539 1
1 440 . 11 0 1 A 45 45 ALA CB C 45 17.800 17.889 -0.089 1
1 441 . 11 0 1 A 45 45 ALA N N 45 125.360 121.077 4.283 1
1 442 . 11 0 1 A 46 46 CYS H H 46 8.027 8.027 0.000 1
1 443 . 11 0 1 A 46 46 CYS HA H 46 4.168 4.441 -0.273 1
1 446 . 11 0 1 A 46 46 CYS CA C 46 59.006 58.086 0.920 1
1 447 . 11 0 1 A 46 46 CYS CB C 46 33.410 42.013 -8.603 1
1 448 . 11 0 1 A 46 46 CYS N N 46 117.400 116.770 0.630 1
1 449 . 11 0 1 A 47 47 ALA H H 47 7.144 8.200 -1.056 1
1 450 . 11 0 1 A 47 47 ALA HA H 47 3.837 4.007 -0.170 1
1 454 . 11 0 1 A 47 47 ALA CA C 47 55.130 54.869 0.261 1
1 455 . 11 0 1 A 47 47 ALA CB C 47 19.618 18.237 1.381 1
1 456 . 11 0 1 A 47 47 ALA N N 47 123.130 122.817 0.313 1
1 457 . 11 0 1 A 48 48 TYR H H 48 8.841 7.833 1.008 1
1 458 . 11 0 1 A 48 48 TYR HA H 48 3.896 4.295 -0.399 1
1 462 . 11 0 1 A 48 48 TYR CA C 48 63.769 61.185 2.584 1
1 463 . 11 0 1 A 48 48 TYR CB C 48 40.446 36.996 3.450 1
1 466 . 11 0 1 A 48 48 TYR N N 48 120.860 115.995 4.865 1
1 467 . 11 0 1 A 49 49 ARG H H 49 8.501 8.547 -0.046 1
1 468 . 11 0 1 A 49 49 ARG HA H 49 3.840 3.922 -0.082 1
1 470 . 11 0 1 A 49 49 ARG CA C 49 60.324 59.600 0.724 1
1 471 . 11 0 1 A 49 49 ARG CB C 49 29.890 29.707 0.183 1
1 472 . 11 0 1 A 49 49 ARG N N 49 117.110 122.803 -5.693 1
1 473 . 11 0 1 A 50 50 LYS H H 50 7.817 7.870 -0.053 1
1 474 . 11 0 1 A 50 50 LYS HA H 50 3.965 4.009 -0.044 1
1 477 . 11 0 1 A 50 50 LYS CA C 50 61.111 59.471 1.640 1
1 478 . 11 0 1 A 50 50 LYS CB C 50 33.272 32.392 0.880 1
1 479 . 11 0 1 A 50 50 LYS N N 50 119.510 119.624 -0.114 1
1 480 . 11 0 1 A 51 51 MET H H 51 7.934 8.082 -0.148 1
1 481 . 11 0 1 A 51 51 MET HA H 51 4.199 4.016 0.183 1
1 484 . 11 0 1 A 51 51 MET CA C 51 60.407 58.635 1.772 1
1 485 . 11 0 1 A 51 51 MET CB C 51 33.492 32.131 1.361 1
1 487 . 11 0 1 A 51 51 MET N N 51 119.740 117.623 2.117 1
1 488 . 11 0 1 A 52 52 CYS H H 52 8.545 7.714 0.831 1
1 489 . 11 0 1 A 52 52 CYS HA H 52 4.018 4.454 -0.436 1
1 492 . 11 0 1 A 52 52 CYS CA C 52 60.109 56.728 3.381 1
1 493 . 11 0 1 A 52 52 CYS CB C 52 40.790 42.917 -2.127 1
1 494 . 11 0 1 A 52 52 CYS N N 52 119.160 116.427 2.733 1
1 495 . 11 0 1 A 53 53 ALA H H 53 7.626 8.676 -1.050 1
1 496 . 11 0 1 A 53 53 ALA HA H 53 4.182 4.693 -0.511 1
1 500 . 11 0 1 A 53 53 ALA CA C 53 54.149 53.149 1.000 1
1 501 . 11 0 1 A 53 53 ALA CB C 53 18.492 20.764 -2.272 1
1 502 . 11 0 1 A 53 53 ALA N N 53 122.360 122.005 0.355 1
1 503 . 11 0 1 A 54 54 THR H H 54 7.041 7.532 -0.491 1
1 504 . 11 0 1 A 54 54 THR HA H 54 4.180 4.678 -0.498 1
1 509 . 11 0 1 A 54 54 THR CA C 54 63.143 63.418 -0.275 1
1 510 . 11 0 1 A 54 54 THR CB C 54 71.301 70.887 0.414 1
1 512 . 11 0 1 A 54 54 THR N N 54 107.780 108.944 -1.164 1
1 513 . 11 0 1 A 55 55 ASN H H 55 8.071 7.967 0.104 1
1 514 . 11 0 1 A 55 55 ASN HA H 55 4.409 5.139 -0.730 1
1 518 . 11 0 1 A 55 55 ASN CA C 55 55.475 52.272 3.203 1
1 519 . 11 0 1 A 55 55 ASN CB C 55 38.226 41.500 -3.274 1
1 520 . 11 0 1 A 55 55 ASN N N 55 114.220 115.384 -1.164 1
1 522 . 11 0 1 A 56 56 ASN H H 56 7.751 8.867 -1.116 1
1 523 . 11 0 1 A 56 56 ASN HA H 56 4.598 4.967 -0.369 1
1 528 . 11 0 1 A 56 56 ASN CA C 56 53.301 54.018 -0.717 1
1 529 . 11 0 1 A 56 56 ASN CB C 56 38.408 40.782 -2.374 1
1 530 . 11 0 1 A 56 56 ASN N N 56 117.400 117.947 -0.547 1
1 532 . 11 0 1 A 57 57 LEU H H 57 8.623 8.380 0.243 1
1 533 . 11 0 1 A 57 57 LEU HA H 57 3.783 4.127 -0.344 1
1 536 . 11 0 1 A 57 57 LEU CA C 57 58.796 57.666 1.130 1
1 537 . 11 0 1 A 57 57 LEU CB C 57 42.709 41.700 1.009 1
1 538 . 11 0 1 A 57 57 LEU N N 57 127.190 117.090 10.100 1
1 539 . 11 0 1 A 58 58 GLU H H 58 8.353 8.505 -0.152 1
1 540 . 11 0 1 A 58 58 GLU HA H 58 3.792 4.179 -0.387 1
1 543 . 11 0 1 A 58 58 GLU CA C 58 60.263 59.284 0.979 1
1 544 . 11 0 1 A 58 58 GLU CB C 58 27.565 28.926 -1.361 1
1 546 . 11 0 1 A 58 58 GLU N N 58 117.370 121.230 -3.860 1
1 547 . 11 0 1 A 59 59 GLN H H 59 7.434 8.244 -0.810 1
1 548 . 11 0 1 A 59 59 GLN HA H 59 3.850 4.070 -0.220 1
1 553 . 11 0 1 A 59 59 GLN CA C 59 58.858 58.552 0.306 1
1 554 . 11 0 1 A 59 59 GLN CB C 59 28.858 28.518 0.340 1
1 556 . 11 0 1 A 59 59 GLN N N 59 119.730 119.270 0.460 1
1 558 . 11 0 1 A 60 60 ALA H H 60 8.043 7.673 0.370 1
1 559 . 11 0 1 A 60 60 ALA HA H 60 4.090 4.051 0.039 1
1 563 . 11 0 1 A 60 60 ALA CA C 60 55.496 55.191 0.305 1
1 564 . 11 0 1 A 60 60 ALA CB C 60 19.168 18.395 0.773 1
1 565 . 11 0 1 A 60 60 ALA N N 60 124.010 121.624 2.386 1
1 566 . 11 0 1 A 61 61 MET H H 61 8.690 7.817 0.873 1
1 567 . 11 0 1 A 61 61 MET HA H 61 4.240 3.677 0.563 1
1 571 . 11 0 1 A 61 61 MET CA C 61 59.964 57.853 2.111 1
1 572 . 11 0 1 A 61 61 MET CB C 61 34.709 31.926 2.783 1
1 574 . 11 0 1 A 61 61 MET N N 61 114.840 116.647 -1.807 1
1 575 . 11 0 1 A 62 62 SER H H 62 7.697 8.257 -0.560 1
1 576 . 11 0 1 A 62 62 SER HA H 62 4.527 4.068 0.459 1
1 579 . 11 0 1 A 62 62 SER CA C 62 61.590 61.364 0.226 1
1 580 . 11 0 1 A 62 62 SER CB C 62 63.726 62.482 1.244 1
1 581 . 11 0 1 A 62 62 SER N N 62 115.290 114.490 0.800 1
1 582 . 11 0 1 A 63 63 VAL H H 63 6.876 7.750 -0.874 1
1 583 . 11 0 1 A 63 63 VAL HA H 63 3.366 3.565 -0.199 1
1 591 . 11 0 1 A 63 63 VAL CA C 63 65.247 66.435 -1.188 1
1 592 . 11 0 1 A 63 63 VAL CB C 63 32.621 31.535 1.086 1
1 595 . 11 0 1 A 63 63 VAL N N 63 120.720 122.750 -2.030 1
1 596 . 11 0 1 A 64 64 TYR H H 64 6.677 7.832 -1.155 1
1 597 . 11 0 1 A 64 64 TYR HA H 64 4.274 4.304 -0.030 1
1 602 . 11 0 1 A 64 64 TYR CA C 64 57.735 60.341 -2.606 1
1 603 . 11 0 1 A 64 64 TYR CB C 64 42.007 39.168 2.839 1
1 606 . 11 0 1 A 64 64 TYR N N 64 115.320 118.762 -3.442 1
1 607 . 11 0 1 A 65 65 PHE H H 65 8.052 7.536 0.516 1
1 608 . 11 0 1 A 65 65 PHE HA H 65 5.160 4.719 0.441 1
1 614 . 11 0 1 A 65 65 PHE CA C 65 56.486 55.697 0.789 1
1 615 . 11 0 1 A 65 65 PHE CB C 65 43.296 41.158 2.138 1
1 619 . 11 0 1 A 65 65 PHE N N 65 117.410 116.923 0.487 1
1 620 . 11 0 1 A 66 66 THR H H 66 8.302 9.070 -0.768 1
1 621 . 11 0 1 A 66 66 THR HA H 66 4.657 4.729 -0.072 1
1 626 . 11 0 1 A 66 66 THR CA C 66 60.932 60.580 0.352 1
1 627 . 11 0 1 A 66 66 THR CB C 66 71.138 71.679 -0.541 1
1 629 . 11 0 1 A 66 66 THR N N 66 111.430 113.808 -2.378 1
1 630 . 11 0 1 A 67 67 ASN H H 67 9.025 9.160 -0.135 1
1 631 . 11 0 1 A 67 67 ASN HA H 67 4.223 4.565 -0.342 1
1 636 . 11 0 1 A 67 67 ASN CA C 67 57.459 56.249 1.210 1
1 637 . 11 0 1 A 67 67 ASN CB C 67 38.180 37.397 0.783 1
1 638 . 11 0 1 A 67 67 ASN N N 67 120.120 119.329 0.791 1
1 640 . 11 0 1 A 68 68 GLU H H 68 8.403 8.384 0.019 1
1 641 . 11 0 1 A 68 68 GLU HA H 68 3.956 3.996 -0.040 1
1 645 . 11 0 1 A 68 68 GLU CA C 68 59.700 58.947 0.753 1
1 646 . 11 0 1 A 68 68 GLU CB C 68 28.105 28.360 -0.255 1
1 648 . 11 0 1 A 68 68 GLU N N 68 120.220 118.812 1.408 1
1 649 . 11 0 1 A 69 69 GLN H H 69 7.411 8.107 -0.696 1
1 650 . 11 0 1 A 69 69 GLN HA H 69 3.822 4.118 -0.296 1
1 657 . 11 0 1 A 69 69 GLN CA C 69 58.952 58.877 0.075 1
1 658 . 11 0 1 A 69 69 GLN CB C 69 28.418 27.995 0.423 1
1 659 . 11 0 1 A 69 69 GLN N N 69 120.940 119.129 1.811 1
1 661 . 11 0 1 A 70 70 ILE H H 70 8.327 7.526 0.801 1
1 662 . 11 0 1 A 70 70 ILE HA H 70 3.036 3.656 -0.620 1
1 671 . 11 0 1 A 70 70 ILE CA C 70 66.926 62.183 4.743 1
1 672 . 11 0 1 A 70 70 ILE CB C 70 38.603 37.828 0.775 1
1 676 . 11 0 1 A 70 70 ILE N N 70 120.560 119.474 1.086 1
1 677 . 11 0 1 A 71 71 LYS H H 71 7.554 7.851 -0.297 1
1 678 . 11 0 1 A 71 71 LYS HA H 71 3.909 3.934 -0.025 1
1 681 . 11 0 1 A 71 71 LYS CA C 71 60.156 60.411 -0.255 1
1 682 . 11 0 1 A 71 71 LYS CB C 71 32.294 32.022 0.272 1
1 683 . 11 0 1 A 71 71 LYS N N 71 121.040 121.652 -0.612 1
1 684 . 11 0 1 A 72 72 GLU H H 72 7.885 8.026 -0.141 1
1 685 . 11 0 1 A 72 72 GLU HA H 72 3.989 4.021 -0.032 1
1 688 . 11 0 1 A 72 72 GLU CA C 72 60.266 58.979 1.287 1
1 689 . 11 0 1 A 72 72 GLU CB C 72 30.213 29.468 0.745 1
1 691 . 11 0 1 A 72 72 GLU N N 72 119.670 120.072 -0.402 1
1 692 . 11 0 1 A 73 73 ILE H H 73 8.193 7.677 0.516 1
1 693 . 11 0 1 A 73 73 ILE HA H 73 3.312 3.981 -0.669 1
1 703 . 11 0 1 A 73 73 ILE CA C 73 66.520 63.080 3.440 1
1 704 . 11 0 1 A 73 73 ILE CB C 73 38.344 37.423 0.921 1
1 708 . 11 0 1 A 73 73 ILE N N 73 121.390 120.134 1.256 1
1 709 . 11 0 1 A 74 74 HIS H H 74 8.624 8.041 0.583 1
1 710 . 11 0 1 A 74 74 HIS HA H 74 4.174 4.221 -0.047 1
1 714 . 11 0 1 A 74 74 HIS CA C 74 59.179 59.849 -0.670 1
1 715 . 11 0 1 A 74 74 HIS CB C 74 28.498 29.751 -1.253 1
1 718 . 11 0 1 A 74 74 HIS N N 74 119.430 121.659 -2.229 1
1 719 . 11 0 1 A 75 75 ASP H H 75 8.824 8.227 0.597 1
1 720 . 11 0 1 A 75 75 ASP HA H 75 4.276 4.272 0.004 1
1 722 . 11 0 1 A 75 75 ASP CA C 75 56.474 57.603 -1.129 1
1 723 . 11 0 1 A 75 75 ASP CB C 75 38.100 41.503 -3.403 1
1 724 . 11 0 1 A 75 75 ASP N N 75 119.980 119.286 0.694 1
1 725 . 11 0 1 A 76 76 ALA H H 76 8.064 7.871 0.193 1
1 726 . 11 0 1 A 76 76 ALA HA H 76 4.012 4.253 -0.241 1
1 730 . 11 0 1 A 76 76 ALA CA C 76 54.988 54.736 0.252 1
1 731 . 11 0 1 A 76 76 ALA CB C 76 20.747 18.309 2.438 1
1 732 . 11 0 1 A 76 76 ALA N N 76 125.030 120.800 4.230 1
1 733 . 11 0 1 A 77 77 ALA H H 77 8.659 8.055 0.604 1
1 734 . 11 0 1 A 77 77 ALA HA H 77 3.613 4.419 -0.806 1
1 738 . 11 0 1 A 77 77 ALA CA C 77 55.772 53.043 2.729 1
1 739 . 11 0 1 A 77 77 ALA CB C 77 18.217 18.795 -0.578 1
1 740 . 11 0 1 A 77 77 ALA N N 77 122.060 119.460 2.600 1
1 741 . 11 0 1 A 78 78 THR H H 78 7.651 7.468 0.183 1
1 742 . 11 0 1 A 78 78 THR HA H 78 3.762 4.026 -0.264 1
1 747 . 11 0 1 A 78 78 THR CA C 78 66.360 65.107 1.253 1
1 748 . 11 0 1 A 78 78 THR CB C 78 68.873 69.600 -0.727 1
1 750 . 11 0 1 A 78 78 THR N N 78 113.580 111.498 2.082 1
1 751 . 11 0 1 A 79 79 ALA H H 79 7.291 7.860 -0.569 1
1 752 . 11 0 1 A 79 79 ALA HA H 79 4.022 4.218 -0.196 1
1 756 . 11 0 1 A 79 79 ALA CA C 79 54.713 51.817 2.896 1
1 757 . 11 0 1 A 79 79 ALA CB C 79 18.695 18.918 -0.223 1
1 758 . 11 0 1 A 79 79 ALA N N 79 123.330 118.550 4.780 1
1 759 . 11 0 1 A 80 80 CYS H H 80 7.781 8.043 -0.262 1
1 760 . 11 0 1 A 80 80 CYS HA H 80 4.295 5.498 -1.203 1
1 762 . 11 0 1 A 80 80 CYS CA C 80 57.577 57.665 -0.088 1
1 763 . 11 0 1 A 80 80 CYS CB C 80 43.192 40.812 2.380 1
1 764 . 11 0 1 A 80 80 CYS N N 80 115.190 114.670 0.520 1
1 765 . 11 0 1 A 81 81 ASP H H 81 7.323 7.468 -0.145 1
1 766 . 11 0 1 A 81 81 ASP HA H 81 4.743 5.099 -0.356 1
1 769 . 11 0 1 A 81 81 ASP CA C 81 52.419 51.258 1.161 1
1 770 . 11 0 1 A 81 81 ASP CB C 81 40.376 41.728 -1.352 1
1 771 . 11 0 1 A 81 81 ASP N N 81 121.570 119.683 1.887 1
1 772 . 11 0 1 A 82 82 PRO HA H 82 4.312 4.631 -0.319 1
1 777 . 11 0 1 A 82 82 PRO CA C 82 64.427 63.134 1.293 1
1 778 . 11 0 1 A 82 82 PRO CB C 82 32.685 30.677 2.008 1
1 780 . 11 0 1 A 83 83 GLU H H 83 8.036 8.813 -0.777 1
1 781 . 11 0 1 A 83 83 GLU HA H 83 4.126 4.111 0.015 1
1 785 . 11 0 1 A 83 83 GLU CA C 83 56.523 57.798 -1.275 1
1 786 . 11 0 1 A 83 83 GLU CB C 83 28.819 29.616 -0.797 1
1 788 . 11 0 1 A 83 83 GLU N N 83 118.550 122.245 -3.695 1
1 789 . 11 0 1 A 84 84 ALA H H 84 7.695 8.030 -0.335 1
1 790 . 11 0 1 A 84 84 ALA HA H 84 4.083 4.204 -0.121 1
1 794 . 11 0 1 A 84 84 ALA CA C 84 52.963 54.990 -2.027 1
1 795 . 11 0 1 A 84 84 ALA CB C 84 19.516 18.842 0.674 1
1 796 . 11 0 1 A 84 84 ALA N N 84 123.730 122.659 1.071 1
1 797 . 11 0 1 A 85 85 HIS H H 85 8.078 8.263 -0.185 1
1 798 . 11 0 1 A 85 85 HIS HA H 85 4.529 4.673 -0.144 1
1 803 . 11 0 1 A 85 85 HIS CA C 85 55.480 57.552 -2.072 1
1 804 . 11 0 1 A 85 85 HIS CB C 85 29.115 30.617 -1.502 1
1 807 . 11 0 1 A 85 85 HIS N N 85 117.030 118.645 -1.615 1
1 808 . 11 0 1 A 86 86 HIS H H 86 8.352 7.944 0.408 1
1 809 . 11 0 1 A 86 86 HIS HA H 86 4.596 4.398 0.198 1
1 814 . 11 0 1 A 86 86 HIS CA C 86 55.496 57.250 -1.754 1
1 815 . 11 0 1 A 86 86 HIS CB C 86 29.414 29.115 0.299 1
1 818 . 11 0 1 A 86 86 HIS N N 86 120.170 117.954 2.216 1
1 819 . 11 0 1 A 87 87 GLU H H 87 8.300 8.861 -0.561 1
1 820 . 11 0 1 A 87 87 GLU HA H 87 4.194 4.298 -0.104 1
1 823 . 11 0 1 A 87 87 GLU CA C 87 56.264 57.000 -0.736 1
1 824 . 11 0 1 A 87 87 GLU CB C 87 29.329 28.799 0.530 1
1 826 . 11 0 1 A 87 87 GLU N N 87 121.850 118.957 2.893 1
1 827 . 11 0 1 A 88 88 HIS H H 88 8.524 8.476 0.048 1
1 828 . 11 0 1 A 88 88 HIS HA H 88 4.597 4.759 -0.162 1
1 832 . 11 0 1 A 88 88 HIS CA C 88 55.621 55.688 -0.067 1
1 833 . 11 0 1 A 88 88 HIS CB C 88 29.150 31.563 -2.413 1
1 836 . 11 0 1 A 88 88 HIS N N 88 119.750 123.365 -3.615 1
1 837 . 11 0 1 A 89 89 ASP H H 89 8.343 8.921 -0.578 1
1 838 . 11 0 1 A 89 89 ASP HA H 89 4.579 4.238 0.341 1
1 840 . 11 0 1 A 89 89 ASP CA C 89 53.805 57.045 -3.240 1
1 841 . 11 0 1 A 89 89 ASP CB C 89 38.560 39.667 -1.107 1
1 842 . 11 0 1 A 89 89 ASP N N 89 120.950 121.490 -0.540 1
1 9 . 12 0 1 A 2 2 HIS H H 2 8.902 8.737 0.165 1
1 10 . 12 0 1 A 2 2 HIS HA H 2 4.665 4.120 0.545 1
1 14 . 12 0 1 A 2 2 HIS CA C 2 55.744 58.126 -2.382 1
1 15 . 12 0 1 A 2 2 HIS CB C 2 29.481 29.271 0.210 1
1 18 . 12 0 1 A 2 2 HIS N N 2 122.160 126.889 -4.729 1
1 19 . 12 0 1 A 3 3 GLN H H 3 8.624 8.747 -0.123 1
1 20 . 12 0 1 A 3 3 GLN HA H 3 4.265 3.899 0.366 1
1 24 . 12 0 1 A 3 3 GLN CA C 3 55.961 58.577 -2.616 1
1 25 . 12 0 1 A 3 3 GLN CB C 3 29.727 28.957 0.770 1
1 27 . 12 0 1 A 3 3 GLN N N 3 123.710 118.006 5.704 1
1 29 . 12 0 1 A 4 4 GLU H H 4 8.499 7.859 0.640 1
1 30 . 12 0 1 A 4 4 GLU HA H 4 4.250 4.878 -0.628 1
1 33 . 12 0 1 A 4 4 GLU CA C 4 56.888 55.482 1.406 1
1 34 . 12 0 1 A 4 4 GLU CB C 4 29.316 32.595 -3.279 1
1 36 . 12 0 1 A 4 4 GLU N N 4 123.160 119.386 3.774 1
1 37 . 12 0 1 A 5 5 LEU H H 5 8.464 8.891 -0.427 1
1 38 . 12 0 1 A 5 5 LEU HA H 5 4.004 4.552 -0.548 1
1 50 . 12 0 1 A 5 5 LEU N N 5 123.070 126.989 -3.919 1
1 51 . 12 0 1 A 6 6 CYS H H 6 7.980 7.766 0.214 1
1 52 . 12 0 1 A 6 6 CYS HA H 6 4.565 4.784 -0.219 1
1 55 . 12 0 1 A 6 6 CYS N N 6 113.540 117.555 -4.015 1
1 56 . 12 0 1 A 7 7 THR H H 7 7.639 8.293 -0.654 1
1 57 . 12 0 1 A 7 7 THR HA H 7 4.344 4.302 0.042 1
1 62 . 12 0 1 A 7 7 THR CA C 7 61.772 63.489 -1.717 1
1 63 . 12 0 1 A 7 7 THR CB C 7 69.825 68.808 1.017 1
1 65 . 12 0 1 A 7 7 THR N N 7 108.740 114.297 -5.557 1
1 66 . 12 0 1 A 8 8 LYS H H 8 7.380 8.255 -0.875 1
1 67 . 12 0 1 A 8 8 LYS HA H 8 4.174 4.510 -0.336 1
1 72 . 12 0 1 A 8 8 LYS CA C 8 56.632 54.746 1.886 1
1 73 . 12 0 1 A 8 8 LYS CB C 8 34.166 33.278 0.888 1
1 75 . 12 0 1 A 8 8 LYS N N 8 122.500 120.870 1.630 1
1 76 . 12 0 1 A 9 9 GLY H H 9 8.554 8.852 -0.298 1
1 77 . 12 0 1 A 9 9 GLY HA2 H 9 4.027 3.889 0.138 1
1 78 . 12 0 1 A 9 9 GLY HA3 H 9 3.868 3.890 -0.022 1
1 79 . 12 0 1 A 9 9 GLY CA C 9 45.101 44.821 0.280 1
1 80 . 12 0 1 A 9 9 GLY N N 9 108.960 114.960 -6.000 1
1 81 . 12 0 1 A 10 10 ASP H H 10 8.455 8.724 -0.269 1
1 82 . 12 0 1 A 10 10 ASP HA H 10 4.146 4.399 -0.253 1
1 84 . 12 0 1 A 10 10 ASP CA C 10 57.568 55.791 1.777 1
1 85 . 12 0 1 A 10 10 ASP CB C 10 38.723 40.167 -1.444 1
1 86 . 12 0 1 A 10 10 ASP N N 10 118.550 121.450 -2.900 1
1 87 . 12 0 1 A 11 11 ASP H H 11 8.538 8.262 0.276 1
1 88 . 12 0 1 A 11 11 ASP HA H 11 4.262 4.314 -0.052 1
1 90 . 12 0 1 A 11 11 ASP CA C 11 56.696 57.186 -0.490 1
1 91 . 12 0 1 A 11 11 ASP CB C 11 37.812 40.526 -2.714 1
1 92 . 12 0 1 A 11 11 ASP N N 11 118.150 121.394 -3.244 1
1 93 . 12 0 1 A 12 12 ALA H H 12 7.935 7.483 0.452 1
1 94 . 12 0 1 A 12 12 ALA HA H 12 4.052 4.268 -0.216 1
1 98 . 12 0 1 A 12 12 ALA CA C 12 55.104 54.933 0.171 1
1 99 . 12 0 1 A 12 12 ALA CB C 12 19.122 18.130 0.992 1
1 100 . 12 0 1 A 12 12 ALA N N 12 123.880 121.979 1.901 1
1 101 . 12 0 1 A 13 13 LEU H H 13 8.367 7.799 0.568 1
1 102 . 12 0 1 A 13 13 LEU HA H 13 4.524 4.005 0.519 1
1 104 . 12 0 1 A 13 13 LEU CA C 13 54.138 57.102 -2.964 1
1 105 . 12 0 1 A 13 13 LEU CB C 13 39.063 41.291 -2.228 1
1 106 . 12 0 1 A 13 13 LEU N N 13 120.800 119.782 1.018 1
1 107 . 12 0 1 A 14 14 VAL H H 14 8.127 7.576 0.551 1
1 108 . 12 0 1 A 14 14 VAL HA H 14 3.354 3.797 -0.443 1
1 116 . 12 0 1 A 14 14 VAL CA C 14 67.895 64.990 2.905 1
1 117 . 12 0 1 A 14 14 VAL CB C 14 32.471 31.730 0.741 1
1 120 . 12 0 1 A 14 14 VAL N N 14 121.290 117.849 3.441 1
1 121 . 12 0 1 A 15 15 THR H H 15 7.813 8.168 -0.355 1
1 122 . 12 0 1 A 15 15 THR HA H 15 3.824 3.926 -0.102 1
1 127 . 12 0 1 A 15 15 THR CA C 15 66.838 66.087 0.751 1
1 128 . 12 0 1 A 15 15 THR CB C 15 69.152 68.423 0.729 1
1 130 . 12 0 1 A 15 15 THR N N 15 115.770 112.561 3.209 1
1 131 . 12 0 1 A 16 16 GLU H H 16 8.201 8.728 -0.527 1
1 132 . 12 0 1 A 16 16 GLU HA H 16 4.134 3.926 0.208 1
1 136 . 12 0 1 A 16 16 GLU CA C 16 60.219 59.337 0.882 1
1 137 . 12 0 1 A 16 16 GLU CB C 16 27.443 29.055 -1.612 1
1 139 . 12 0 1 A 16 16 GLU N N 16 123.330 122.086 1.244 1
1 140 . 12 0 1 A 17 17 LEU H H 17 8.637 7.999 0.638 1
1 141 . 12 0 1 A 17 17 LEU HA H 17 3.779 3.976 -0.197 1
1 145 . 12 0 1 A 17 17 LEU CA C 17 58.646 57.878 0.768 1
1 146 . 12 0 1 A 17 17 LEU CB C 17 41.289 41.414 -0.125 1
1 147 . 12 0 1 A 17 17 LEU N N 17 119.350 121.187 -1.837 1
1 148 . 12 0 1 A 18 18 GLU H H 18 7.903 8.850 -0.947 1
1 149 . 12 0 1 A 18 18 GLU HA H 18 4.048 3.890 0.158 1
1 153 . 12 0 1 A 18 18 GLU CA C 18 59.140 59.630 -0.490 1
1 154 . 12 0 1 A 18 18 GLU CB C 18 27.587 29.278 -1.691 1
1 156 . 12 0 1 A 18 18 GLU N N 18 122.730 118.142 4.588 1
1 157 . 12 0 1 A 19 19 CYS H H 19 7.231 7.777 -0.546 1
1 158 . 12 0 1 A 19 19 CYS HA H 19 4.135 4.559 -0.424 1
1 161 . 12 0 1 A 19 19 CYS CA C 19 60.041 56.248 3.793 1
1 162 . 12 0 1 A 19 19 CYS CB C 19 39.419 42.463 -3.044 1
1 163 . 12 0 1 A 19 19 CYS N N 19 120.230 115.260 4.970 1
1 164 . 12 0 1 A 20 20 ILE H H 20 8.433 7.583 0.850 1
1 165 . 12 0 1 A 20 20 ILE HA H 20 3.288 4.182 -0.894 1
1 174 . 12 0 1 A 20 20 ILE CA C 20 66.135 61.142 4.993 1
1 175 . 12 0 1 A 20 20 ILE CB C 20 39.423 38.086 1.337 1
1 179 . 12 0 1 A 20 20 ILE N N 20 122.030 118.203 3.827 1
1 180 . 12 0 1 A 21 21 ARG H H 21 7.644 7.566 0.078 1
1 181 . 12 0 1 A 21 21 ARG HA H 21 3.823 4.234 -0.411 1
1 183 . 12 0 1 A 21 21 ARG CA C 21 59.557 57.408 2.149 1
1 184 . 12 0 1 A 21 21 ARG CB C 21 30.680 29.564 1.116 1
1 187 . 12 0 1 A 21 21 ARG N N 21 119.330 121.131 -1.801 1
1 188 . 12 0 1 A 22 22 LEU H H 22 6.877 7.901 -1.024 1
1 189 . 12 0 1 A 22 22 LEU HA H 22 4.111 4.115 -0.004 1
1 199 . 12 0 1 A 22 22 LEU CA C 22 56.458 56.223 0.235 1
1 200 . 12 0 1 A 22 22 LEU CB C 22 42.824 39.554 3.270 1
1 204 . 12 0 1 A 22 22 LEU N N 22 114.780 115.338 -0.558 1
1 205 . 12 0 1 A 23 23 ARG H H 23 7.570 8.279 -0.709 1
1 206 . 12 0 1 A 23 23 ARG HA H 23 4.384 4.539 -0.155 1
1 212 . 12 0 1 A 23 23 ARG CA C 23 56.733 55.183 1.550 1
1 213 . 12 0 1 A 23 23 ARG CB C 23 33.160 30.161 2.999 1
1 216 . 12 0 1 A 23 23 ARG N N 23 117.100 116.755 0.345 1
1 218 . 12 0 1 A 24 24 ILE H H 24 7.041 7.839 -0.798 1
1 219 . 12 0 1 A 24 24 ILE HA H 24 4.653 3.706 0.947 1
1 229 . 12 0 1 A 24 24 ILE CA C 24 60.889 64.082 -3.193 1
1 230 . 12 0 1 A 24 24 ILE CB C 24 40.480 37.878 2.602 1
1 234 . 12 0 1 A 24 24 ILE N N 24 112.510 121.071 -8.561 1
1 235 . 12 0 1 A 25 25 SER H H 25 8.441 7.702 0.739 1
1 236 . 12 0 1 A 25 25 SER HA H 25 4.572 4.718 -0.146 1
1 239 . 12 0 1 A 25 25 SER CA C 25 58.047 59.398 -1.351 1
1 240 . 12 0 1 A 25 25 SER CB C 25 63.703 65.094 -1.391 1
1 241 . 12 0 1 A 25 25 SER N N 25 116.820 113.964 2.856 1
1 242 . 12 0 1 A 26 26 PRO HA H 26 4.457 4.521 -0.064 1
1 248 . 12 0 1 A 26 26 PRO CA C 26 66.703 62.502 4.201 1
1 249 . 12 0 1 A 26 26 PRO CB C 26 32.374 33.349 -0.975 1
1 252 . 12 0 1 A 27 27 GLU H H 27 8.543 8.866 -0.323 1
1 253 . 12 0 1 A 27 27 GLU HA H 27 4.170 4.100 0.070 1
1 257 . 12 0 1 A 27 27 GLU CA C 27 60.003 59.002 1.001 1
1 258 . 12 0 1 A 27 27 GLU CB C 27 27.944 29.043 -1.099 1
1 260 . 12 0 1 A 27 27 GLU N N 27 117.750 120.936 -3.186 1
1 261 . 12 0 1 A 28 28 THR H H 28 8.099 7.865 0.234 1
1 262 . 12 0 1 A 28 28 THR HA H 28 4.178 3.450 0.728 1
1 267 . 12 0 1 A 28 28 THR CA C 28 67.201 65.913 1.288 1
1 268 . 12 0 1 A 28 28 THR CB C 28 67.314 69.331 -2.017 1
1 270 . 12 0 1 A 28 28 THR N N 28 122.040 115.340 6.700 1
1 271 . 12 0 1 A 29 29 ASN H H 29 8.621 8.180 0.441 1
1 272 . 12 0 1 A 29 29 ASN HA H 29 4.522 4.499 0.023 1
1 276 . 12 0 1 A 29 29 ASN CA C 29 58.319 56.337 1.982 1
1 277 . 12 0 1 A 29 29 ASN CB C 29 39.553 38.293 1.260 1
1 278 . 12 0 1 A 29 29 ASN N N 29 122.850 118.451 4.399 1
1 280 . 12 0 1 A 30 30 ALA H H 30 8.185 8.023 0.162 1
1 281 . 12 0 1 A 30 30 ALA HA H 30 4.141 4.082 0.059 1
1 285 . 12 0 1 A 30 30 ALA CA C 30 55.716 54.982 0.734 1
1 286 . 12 0 1 A 30 30 ALA CB C 30 17.815 18.423 -0.608 1
1 287 . 12 0 1 A 30 30 ALA N N 30 123.330 122.240 1.090 1
1 288 . 12 0 1 A 31 31 ALA H H 31 7.852 8.290 -0.438 1
1 289 . 12 0 1 A 31 31 ALA HA H 31 4.182 3.581 0.601 1
1 293 . 12 0 1 A 31 31 ALA CA C 31 55.395 54.764 0.631 1
1 294 . 12 0 1 A 31 31 ALA CB C 31 18.712 18.432 0.280 1
1 295 . 12 0 1 A 31 31 ALA N N 31 122.920 119.401 3.519 1
1 296 . 12 0 1 A 32 32 PHE H H 32 8.497 7.441 1.056 1
1 297 . 12 0 1 A 32 32 PHE HA H 32 4.300 4.267 0.033 1
1 303 . 12 0 1 A 32 32 PHE CA C 32 59.972 61.305 -1.333 1
1 304 . 12 0 1 A 32 32 PHE CB C 32 39.152 38.071 1.081 1
1 308 . 12 0 1 A 32 32 PHE N N 32 123.980 116.371 7.609 1
1 309 . 12 0 1 A 33 33 ASP H H 33 8.380 8.036 0.344 1
1 310 . 12 0 1 A 33 33 ASP HA H 33 4.298 4.325 -0.027 1
1 313 . 12 0 1 A 33 33 ASP CA C 33 57.394 57.502 -0.108 1
1 314 . 12 0 1 A 33 33 ASP CB C 33 38.380 41.249 -2.869 1
1 315 . 12 0 1 A 33 33 ASP N N 33 119.640 120.891 -1.251 1
1 316 . 12 0 1 A 34 34 ASN H H 34 7.854 8.178 -0.324 1
1 317 . 12 0 1 A 34 34 ASN HA H 34 4.410 4.403 0.007 1
1 321 . 12 0 1 A 34 34 ASN CA C 34 56.974 55.217 1.757 1
1 322 . 12 0 1 A 34 34 ASN CB C 34 38.740 37.077 1.663 1
1 323 . 12 0 1 A 34 34 ASN N N 34 119.710 116.270 3.440 1
1 325 . 12 0 1 A 35 35 ALA H H 35 7.743 8.233 -0.490 1
1 326 . 12 0 1 A 35 35 ALA HA H 35 2.999 4.009 -1.010 1
1 330 . 12 0 1 A 35 35 ALA CA C 35 55.881 55.078 0.803 1
1 331 . 12 0 1 A 35 35 ALA CB C 35 17.360 18.991 -1.631 1
1 332 . 12 0 1 A 35 35 ALA N N 35 123.520 122.842 0.678 1
1 333 . 12 0 1 A 36 36 VAL H H 36 7.802 8.700 -0.898 1
1 334 . 12 0 1 A 36 36 VAL HA H 36 2.973 3.620 -0.647 1
1 342 . 12 0 1 A 36 36 VAL CA C 36 67.829 66.293 1.536 1
1 343 . 12 0 1 A 36 36 VAL CB C 36 32.410 31.348 1.062 1
1 346 . 12 0 1 A 36 36 VAL N N 36 115.430 117.810 -2.380 1
1 347 . 12 0 1 A 37 37 GLN H H 37 7.027 7.964 -0.937 1
1 348 . 12 0 1 A 37 37 GLN HA H 37 4.093 3.996 0.097 1
1 353 . 12 0 1 A 37 37 GLN CA C 37 59.039 58.960 0.079 1
1 354 . 12 0 1 A 37 37 GLN CB C 37 28.910 28.419 0.491 1
1 356 . 12 0 1 A 37 37 GLN N N 37 116.140 120.431 -4.291 1
1 358 . 12 0 1 A 38 38 GLN H H 38 8.443 7.831 0.612 1
1 359 . 12 0 1 A 38 38 GLN HA H 38 3.939 3.945 -0.006 1
1 365 . 12 0 1 A 38 38 GLN CA C 38 58.748 59.093 -0.345 1
1 366 . 12 0 1 A 38 38 GLN CB C 38 28.854 28.509 0.345 1
1 368 . 12 0 1 A 38 38 GLN N N 38 120.080 118.843 1.237 1
1 370 . 12 0 1 A 39 39 LEU H H 39 7.565 7.815 -0.250 1
1 371 . 12 0 1 A 39 39 LEU HA H 39 4.199 4.069 0.130 1
1 380 . 12 0 1 A 39 39 LEU CA C 39 54.901 57.130 -2.229 1
1 381 . 12 0 1 A 39 39 LEU CB C 39 42.208 42.203 0.005 1
1 383 . 12 0 1 A 39 39 LEU N N 39 117.930 118.250 -0.320 1
1 384 . 12 0 1 A 40 40 ASN H H 40 7.976 8.082 -0.106 1
1 385 . 12 0 1 A 40 40 ASN HA H 40 4.313 4.597 -0.284 1
1 389 . 12 0 1 A 40 40 ASN CA C 40 54.625 53.979 0.646 1
1 390 . 12 0 1 A 40 40 ASN CB C 40 36.903 36.515 0.388 1
1 391 . 12 0 1 A 40 40 ASN N N 40 118.780 116.753 2.027 1
1 393 . 12 0 1 A 41 41 CYS H H 41 7.833 8.021 -0.188 1
1 394 . 12 0 1 A 41 41 CYS HA H 41 4.888 4.677 0.211 1
1 397 . 12 0 1 A 41 41 CYS CA C 41 55.148 56.067 -0.919 1
1 398 . 12 0 1 A 41 41 CYS CB C 41 42.078 43.014 -0.936 1
1 399 . 12 0 1 A 41 41 CYS N N 41 115.600 115.817 -0.217 1
1 400 . 12 0 1 A 42 42 LEU H H 42 8.371 8.175 0.196 1
1 401 . 12 0 1 A 42 42 LEU HA H 42 4.340 4.227 0.113 1
1 410 . 12 0 1 A 42 42 LEU CA C 42 55.342 57.241 -1.899 1
1 411 . 12 0 1 A 42 42 LEU CB C 42 43.358 41.740 1.618 1
1 415 . 12 0 1 A 42 42 LEU N N 42 116.770 120.790 -4.020 1
1 416 . 12 0 1 A 43 43 ASN H H 43 7.025 8.262 -1.237 1
1 417 . 12 0 1 A 43 43 ASN HA H 43 4.767 5.138 -0.371 1
1 422 . 12 0 1 A 43 43 ASN CA C 43 51.715 51.334 0.381 1
1 423 . 12 0 1 A 43 43 ASN CB C 43 41.011 40.084 0.927 1
1 424 . 12 0 1 A 43 43 ASN N N 43 111.360 112.783 -1.423 1
1 426 . 12 0 1 A 44 44 ARG H H 44 8.735 8.888 -0.153 1
1 427 . 12 0 1 A 44 44 ARG HA H 44 3.868 4.224 -0.356 1
1 431 . 12 0 1 A 44 44 ARG CA C 44 60.307 58.721 1.586 1
1 432 . 12 0 1 A 44 44 ARG CB C 44 30.895 30.041 0.854 1
1 433 . 12 0 1 A 44 44 ARG N N 44 118.870 120.359 -1.489 1
1 434 . 12 0 1 A 45 45 ALA H H 45 8.381 8.160 0.221 1
1 435 . 12 0 1 A 45 45 ALA HA H 45 3.814 4.046 -0.232 1
1 439 . 12 0 1 A 45 45 ALA CA C 45 56.384 55.313 1.071 1
1 440 . 12 0 1 A 45 45 ALA CB C 45 17.800 17.497 0.303 1
1 441 . 12 0 1 A 45 45 ALA N N 45 125.360 121.063 4.297 1
1 442 . 12 0 1 A 46 46 CYS H H 46 8.027 8.175 -0.148 1
1 443 . 12 0 1 A 46 46 CYS HA H 46 4.168 4.372 -0.204 1
1 446 . 12 0 1 A 46 46 CYS CA C 46 59.006 58.363 0.643 1
1 447 . 12 0 1 A 46 46 CYS CB C 46 33.410 42.021 -8.611 1
1 448 . 12 0 1 A 46 46 CYS N N 46 117.400 117.273 0.127 1
1 449 . 12 0 1 A 47 47 ALA H H 47 7.144 8.179 -1.035 1
1 450 . 12 0 1 A 47 47 ALA HA H 47 3.837 4.030 -0.193 1
1 454 . 12 0 1 A 47 47 ALA CA C 47 55.130 54.951 0.179 1
1 455 . 12 0 1 A 47 47 ALA CB C 47 19.618 18.254 1.364 1
1 456 . 12 0 1 A 47 47 ALA N N 47 123.130 123.065 0.065 1
1 457 . 12 0 1 A 48 48 TYR H H 48 8.841 8.061 0.780 1
1 458 . 12 0 1 A 48 48 TYR HA H 48 3.896 4.329 -0.433 1
1 462 . 12 0 1 A 48 48 TYR CA C 48 63.769 61.596 2.173 1
1 463 . 12 0 1 A 48 48 TYR CB C 48 40.446 37.736 2.710 1
1 466 . 12 0 1 A 48 48 TYR N N 48 120.860 115.652 5.208 1
1 467 . 12 0 1 A 49 49 ARG H H 49 8.501 8.587 -0.086 1
1 468 . 12 0 1 A 49 49 ARG HA H 49 3.840 4.024 -0.184 1
1 470 . 12 0 1 A 49 49 ARG CA C 49 60.324 59.628 0.696 1
1 471 . 12 0 1 A 49 49 ARG CB C 49 29.890 29.946 -0.056 1
1 472 . 12 0 1 A 49 49 ARG N N 49 117.110 120.980 -3.870 1
1 473 . 12 0 1 A 50 50 LYS H H 50 7.817 7.772 0.045 1
1 474 . 12 0 1 A 50 50 LYS HA H 50 3.965 4.161 -0.196 1
1 477 . 12 0 1 A 50 50 LYS CA C 50 61.111 58.996 2.115 1
1 478 . 12 0 1 A 50 50 LYS CB C 50 33.272 31.667 1.605 1
1 479 . 12 0 1 A 50 50 LYS N N 50 119.510 119.283 0.227 1
1 480 . 12 0 1 A 51 51 MET H H 51 7.934 8.242 -0.308 1
1 481 . 12 0 1 A 51 51 MET HA H 51 4.199 3.943 0.256 1
1 484 . 12 0 1 A 51 51 MET CA C 51 60.407 58.711 1.696 1
1 485 . 12 0 1 A 51 51 MET CB C 51 33.492 31.829 1.663 1
1 487 . 12 0 1 A 51 51 MET N N 51 119.740 118.526 1.214 1
1 488 . 12 0 1 A 52 52 CYS H H 52 8.545 8.971 -0.426 1
1 489 . 12 0 1 A 52 52 CYS HA H 52 4.018 4.300 -0.282 1
1 492 . 12 0 1 A 52 52 CYS CA C 52 60.109 60.448 -0.339 1
1 493 . 12 0 1 A 52 52 CYS CB C 52 40.790 41.887 -1.097 1
1 494 . 12 0 1 A 52 52 CYS N N 52 119.160 116.771 2.389 1
1 495 . 12 0 1 A 53 53 ALA H H 53 7.626 7.944 -0.318 1
1 496 . 12 0 1 A 53 53 ALA HA H 53 4.182 4.108 0.074 1
1 500 . 12 0 1 A 53 53 ALA CA C 53 54.149 55.114 -0.965 1
1 501 . 12 0 1 A 53 53 ALA CB C 53 18.492 19.162 -0.670 1
1 502 . 12 0 1 A 53 53 ALA N N 53 122.360 122.839 -0.479 1
1 503 . 12 0 1 A 54 54 THR H H 54 7.041 8.237 -1.196 1
1 504 . 12 0 1 A 54 54 THR HA H 54 4.180 4.647 -0.467 1
1 509 . 12 0 1 A 54 54 THR CA C 54 63.143 63.470 -0.327 1
1 510 . 12 0 1 A 54 54 THR CB C 54 71.301 71.463 -0.162 1
1 512 . 12 0 1 A 54 54 THR N N 54 107.780 109.287 -1.507 1
1 513 . 12 0 1 A 55 55 ASN H H 55 8.071 7.749 0.322 1
1 514 . 12 0 1 A 55 55 ASN HA H 55 4.409 5.065 -0.656 1
1 518 . 12 0 1 A 55 55 ASN CA C 55 55.475 52.635 2.840 1
1 519 . 12 0 1 A 55 55 ASN CB C 55 38.226 41.971 -3.745 1
1 520 . 12 0 1 A 55 55 ASN N N 55 114.220 117.291 -3.071 1
1 522 . 12 0 1 A 56 56 ASN H H 56 7.751 8.580 -0.829 1
1 523 . 12 0 1 A 56 56 ASN HA H 56 4.598 4.802 -0.204 1
1 528 . 12 0 1 A 56 56 ASN CA C 56 53.301 54.733 -1.432 1
1 529 . 12 0 1 A 56 56 ASN CB C 56 38.408 39.657 -1.249 1
1 530 . 12 0 1 A 56 56 ASN N N 56 117.400 118.138 -0.738 1
1 532 . 12 0 1 A 57 57 LEU H H 57 8.623 8.337 0.286 1
1 533 . 12 0 1 A 57 57 LEU HA H 57 3.783 3.998 -0.215 1
1 536 . 12 0 1 A 57 57 LEU CA C 57 58.796 57.689 1.107 1
1 537 . 12 0 1 A 57 57 LEU CB C 57 42.709 41.224 1.485 1
1 538 . 12 0 1 A 57 57 LEU N N 57 127.190 119.680 7.510 1
1 539 . 12 0 1 A 58 58 GLU H H 58 8.353 8.493 -0.140 1
1 540 . 12 0 1 A 58 58 GLU HA H 58 3.792 4.571 -0.779 1
1 543 . 12 0 1 A 58 58 GLU CA C 58 60.263 58.874 1.389 1
1 544 . 12 0 1 A 58 58 GLU CB C 58 27.565 28.422 -0.857 1
1 546 . 12 0 1 A 58 58 GLU N N 58 117.370 121.550 -4.180 1
1 547 . 12 0 1 A 59 59 GLN H H 59 7.434 7.986 -0.552 1
1 548 . 12 0 1 A 59 59 GLN HA H 59 3.850 4.012 -0.162 1
1 553 . 12 0 1 A 59 59 GLN CA C 59 58.858 58.657 0.201 1
1 554 . 12 0 1 A 59 59 GLN CB C 59 28.858 28.515 0.343 1
1 556 . 12 0 1 A 59 59 GLN N N 59 119.730 119.038 0.692 1
1 558 . 12 0 1 A 60 60 ALA H H 60 8.043 7.273 0.770 1
1 559 . 12 0 1 A 60 60 ALA HA H 60 4.090 4.154 -0.064 1
1 563 . 12 0 1 A 60 60 ALA CA C 60 55.496 54.881 0.615 1
1 564 . 12 0 1 A 60 60 ALA CB C 60 19.168 19.296 -0.128 1
1 565 . 12 0 1 A 60 60 ALA N N 60 124.010 121.532 2.478 1
1 566 . 12 0 1 A 61 61 MET H H 61 8.690 8.383 0.307 1
1 567 . 12 0 1 A 61 61 MET HA H 61 4.240 3.689 0.551 1
1 571 . 12 0 1 A 61 61 MET CA C 61 59.964 57.950 2.014 1
1 572 . 12 0 1 A 61 61 MET CB C 61 34.709 32.244 2.465 1
1 574 . 12 0 1 A 61 61 MET N N 61 114.840 117.625 -2.785 1
1 575 . 12 0 1 A 62 62 SER H H 62 7.697 7.642 0.055 1
1 576 . 12 0 1 A 62 62 SER HA H 62 4.527 3.905 0.622 1
1 579 . 12 0 1 A 62 62 SER CA C 62 61.590 61.068 0.522 1
1 580 . 12 0 1 A 62 62 SER CB C 62 63.726 62.897 0.829 1
1 581 . 12 0 1 A 62 62 SER N N 62 115.290 115.251 0.039 1
1 582 . 12 0 1 A 63 63 VAL H H 63 6.876 7.685 -0.809 1
1 583 . 12 0 1 A 63 63 VAL HA H 63 3.366 3.574 -0.208 1
1 591 . 12 0 1 A 63 63 VAL CA C 63 65.247 66.307 -1.060 1
1 592 . 12 0 1 A 63 63 VAL CB C 63 32.621 31.448 1.173 1
1 595 . 12 0 1 A 63 63 VAL N N 63 120.720 122.040 -1.320 1
1 596 . 12 0 1 A 64 64 TYR H H 64 6.677 7.946 -1.269 1
1 597 . 12 0 1 A 64 64 TYR HA H 64 4.274 4.313 -0.039 1
1 602 . 12 0 1 A 64 64 TYR CA C 64 57.735 60.354 -2.619 1
1 603 . 12 0 1 A 64 64 TYR CB C 64 42.007 38.817 3.190 1
1 606 . 12 0 1 A 64 64 TYR N N 64 115.320 118.726 -3.406 1
1 607 . 12 0 1 A 65 65 PHE H H 65 8.052 7.436 0.616 1
1 608 . 12 0 1 A 65 65 PHE HA H 65 5.160 4.693 0.467 1
1 614 . 12 0 1 A 65 65 PHE CA C 65 56.486 55.862 0.624 1
1 615 . 12 0 1 A 65 65 PHE CB C 65 43.296 40.810 2.486 1
1 619 . 12 0 1 A 65 65 PHE N N 65 117.410 116.709 0.701 1
1 620 . 12 0 1 A 66 66 THR H H 66 8.302 8.922 -0.620 1
1 621 . 12 0 1 A 66 66 THR HA H 66 4.657 4.896 -0.239 1
1 626 . 12 0 1 A 66 66 THR CA C 66 60.932 60.368 0.564 1
1 627 . 12 0 1 A 66 66 THR CB C 66 71.138 71.043 0.095 1
1 629 . 12 0 1 A 66 66 THR N N 66 111.430 112.840 -1.410 1
1 630 . 12 0 1 A 67 67 ASN H H 67 9.025 8.991 0.034 1
1 631 . 12 0 1 A 67 67 ASN HA H 67 4.223 4.478 -0.255 1
1 636 . 12 0 1 A 67 67 ASN CA C 67 57.459 56.972 0.487 1
1 637 . 12 0 1 A 67 67 ASN CB C 67 38.180 38.082 0.098 1
1 638 . 12 0 1 A 67 67 ASN N N 67 120.120 120.110 0.010 1
1 640 . 12 0 1 A 68 68 GLU H H 68 8.403 8.392 0.011 1
1 641 . 12 0 1 A 68 68 GLU HA H 68 3.956 3.999 -0.043 1
1 645 . 12 0 1 A 68 68 GLU CA C 68 59.700 59.016 0.684 1
1 646 . 12 0 1 A 68 68 GLU CB C 68 28.105 28.644 -0.539 1
1 648 . 12 0 1 A 68 68 GLU N N 68 120.220 117.883 2.337 1
1 649 . 12 0 1 A 69 69 GLN H H 69 7.411 8.058 -0.647 1
1 650 . 12 0 1 A 69 69 GLN HA H 69 3.822 4.224 -0.402 1
1 657 . 12 0 1 A 69 69 GLN CA C 69 58.952 58.769 0.183 1
1 658 . 12 0 1 A 69 69 GLN CB C 69 28.418 28.147 0.271 1
1 659 . 12 0 1 A 69 69 GLN N N 69 120.940 119.012 1.928 1
1 661 . 12 0 1 A 70 70 ILE H H 70 8.327 7.359 0.968 1
1 662 . 12 0 1 A 70 70 ILE HA H 70 3.036 3.686 -0.650 1
1 671 . 12 0 1 A 70 70 ILE CA C 70 66.926 61.925 5.001 1
1 672 . 12 0 1 A 70 70 ILE CB C 70 38.603 38.221 0.382 1
1 676 . 12 0 1 A 70 70 ILE N N 70 120.560 119.564 0.996 1
1 677 . 12 0 1 A 71 71 LYS H H 71 7.554 7.957 -0.403 1
1 678 . 12 0 1 A 71 71 LYS HA H 71 3.909 3.913 -0.004 1
1 681 . 12 0 1 A 71 71 LYS CA C 71 60.156 60.459 -0.303 1
1 682 . 12 0 1 A 71 71 LYS CB C 71 32.294 32.379 -0.085 1
1 683 . 12 0 1 A 71 71 LYS N N 71 121.040 121.918 -0.878 1
1 684 . 12 0 1 A 72 72 GLU H H 72 7.885 8.260 -0.375 1
1 685 . 12 0 1 A 72 72 GLU HA H 72 3.989 4.030 -0.041 1
1 688 . 12 0 1 A 72 72 GLU CA C 72 60.266 59.384 0.882 1
1 689 . 12 0 1 A 72 72 GLU CB C 72 30.213 29.547 0.666 1
1 691 . 12 0 1 A 72 72 GLU N N 72 119.670 119.595 0.075 1
1 692 . 12 0 1 A 73 73 ILE H H 73 8.193 8.057 0.136 1
1 693 . 12 0 1 A 73 73 ILE HA H 73 3.312 3.823 -0.511 1
1 703 . 12 0 1 A 73 73 ILE CA C 73 66.520 64.924 1.596 1
1 704 . 12 0 1 A 73 73 ILE CB C 73 38.344 37.607 0.737 1
1 708 . 12 0 1 A 73 73 ILE N N 73 121.390 120.586 0.804 1
1 709 . 12 0 1 A 74 74 HIS H H 74 8.624 8.277 0.347 1
1 710 . 12 0 1 A 74 74 HIS HA H 74 4.174 4.302 -0.128 1
1 714 . 12 0 1 A 74 74 HIS CA C 74 59.179 60.331 -1.152 1
1 715 . 12 0 1 A 74 74 HIS CB C 74 28.498 30.215 -1.717 1
1 718 . 12 0 1 A 74 74 HIS N N 74 119.430 120.679 -1.249 1
1 719 . 12 0 1 A 75 75 ASP H H 75 8.824 7.995 0.829 1
1 720 . 12 0 1 A 75 75 ASP HA H 75 4.276 4.385 -0.109 1
1 722 . 12 0 1 A 75 75 ASP CA C 75 56.474 57.212 -0.738 1
1 723 . 12 0 1 A 75 75 ASP CB C 75 38.100 40.324 -2.224 1
1 724 . 12 0 1 A 75 75 ASP N N 75 119.980 119.405 0.575 1
1 725 . 12 0 1 A 76 76 ALA H H 76 8.064 9.005 -0.941 1
1 726 . 12 0 1 A 76 76 ALA HA H 76 4.012 4.132 -0.120 1
1 730 . 12 0 1 A 76 76 ALA CA C 76 54.988 54.841 0.147 1
1 731 . 12 0 1 A 76 76 ALA CB C 76 20.747 18.128 2.619 1
1 732 . 12 0 1 A 76 76 ALA N N 76 125.030 122.703 2.327 1
1 733 . 12 0 1 A 77 77 ALA H H 77 8.659 8.110 0.549 1
1 734 . 12 0 1 A 77 77 ALA HA H 77 3.613 4.287 -0.674 1
1 738 . 12 0 1 A 77 77 ALA CA C 77 55.772 53.510 2.262 1
1 739 . 12 0 1 A 77 77 ALA CB C 77 18.217 19.068 -0.851 1
1 740 . 12 0 1 A 77 77 ALA N N 77 122.060 119.399 2.661 1
1 741 . 12 0 1 A 78 78 THR H H 78 7.651 7.673 -0.022 1
1 742 . 12 0 1 A 78 78 THR HA H 78 3.762 3.805 -0.043 1
1 747 . 12 0 1 A 78 78 THR CA C 78 66.360 65.893 0.467 1
1 748 . 12 0 1 A 78 78 THR CB C 78 68.873 68.789 0.084 1
1 750 . 12 0 1 A 78 78 THR N N 78 113.580 113.600 -0.020 1
1 751 . 12 0 1 A 79 79 ALA H H 79 7.291 7.662 -0.371 1
1 752 . 12 0 1 A 79 79 ALA HA H 79 4.022 4.221 -0.199 1
1 756 . 12 0 1 A 79 79 ALA CA C 79 54.713 51.691 3.022 1
1 757 . 12 0 1 A 79 79 ALA CB C 79 18.695 18.693 0.002 1
1 758 . 12 0 1 A 79 79 ALA N N 79 123.330 118.645 4.685 1
1 759 . 12 0 1 A 80 80 CYS H H 80 7.781 7.985 -0.204 1
1 760 . 12 0 1 A 80 80 CYS HA H 80 4.295 5.296 -1.001 1
1 762 . 12 0 1 A 80 80 CYS CA C 80 57.577 57.080 0.497 1
1 763 . 12 0 1 A 80 80 CYS CB C 80 43.192 39.869 3.323 1
1 764 . 12 0 1 A 80 80 CYS N N 80 115.190 115.017 0.173 1
1 765 . 12 0 1 A 81 81 ASP H H 81 7.323 7.791 -0.468 1
1 766 . 12 0 1 A 81 81 ASP HA H 81 4.743 5.107 -0.364 1
1 769 . 12 0 1 A 81 81 ASP CA C 81 52.419 51.376 1.043 1
1 770 . 12 0 1 A 81 81 ASP CB C 81 40.376 41.156 -0.780 1
1 771 . 12 0 1 A 81 81 ASP N N 81 121.570 121.527 0.043 1
1 772 . 12 0 1 A 82 82 PRO HA H 82 4.312 4.637 -0.325 1
1 777 . 12 0 1 A 82 82 PRO CA C 82 64.427 63.946 0.481 1
1 778 . 12 0 1 A 82 82 PRO CB C 82 32.685 32.668 0.017 1
1 780 . 12 0 1 A 83 83 GLU H H 83 8.036 8.331 -0.295 1
1 781 . 12 0 1 A 83 83 GLU HA H 83 4.126 4.613 -0.487 1
1 785 . 12 0 1 A 83 83 GLU CA C 83 56.523 55.953 0.570 1
1 786 . 12 0 1 A 83 83 GLU CB C 83 28.819 30.259 -1.440 1
1 788 . 12 0 1 A 83 83 GLU N N 83 118.550 118.361 0.189 1
1 789 . 12 0 1 A 84 84 ALA H H 84 7.695 7.398 0.297 1
1 790 . 12 0 1 A 84 84 ALA HA H 84 4.083 4.614 -0.531 1
1 794 . 12 0 1 A 84 84 ALA CA C 84 52.963 53.175 -0.212 1
1 795 . 12 0 1 A 84 84 ALA CB C 84 19.516 19.323 0.193 1
1 796 . 12 0 1 A 84 84 ALA N N 84 123.730 123.821 -0.091 1
1 797 . 12 0 1 A 85 85 HIS H H 85 8.078 8.727 -0.649 1
1 798 . 12 0 1 A 85 85 HIS HA H 85 4.529 4.904 -0.375 1
1 803 . 12 0 1 A 85 85 HIS CA C 85 55.480 54.831 0.649 1
1 804 . 12 0 1 A 85 85 HIS CB C 85 29.115 30.183 -1.068 1
1 807 . 12 0 1 A 85 85 HIS N N 85 117.030 122.564 -5.534 1
1 808 . 12 0 1 A 86 86 HIS H H 86 8.352 7.897 0.455 1
1 809 . 12 0 1 A 86 86 HIS HA H 86 4.596 4.695 -0.099 1
1 814 . 12 0 1 A 86 86 HIS CA C 86 55.496 55.204 0.292 1
1 815 . 12 0 1 A 86 86 HIS CB C 86 29.414 31.656 -2.242 1
1 818 . 12 0 1 A 86 86 HIS N N 86 120.170 123.068 -2.898 1
1 819 . 12 0 1 A 87 87 GLU H H 87 8.300 7.584 0.716 1
1 820 . 12 0 1 A 87 87 GLU HA H 87 4.194 4.303 -0.109 1
1 823 . 12 0 1 A 87 87 GLU CA C 87 56.264 57.419 -1.155 1
1 824 . 12 0 1 A 87 87 GLU CB C 87 29.329 29.363 -0.034 1
1 826 . 12 0 1 A 87 87 GLU N N 87 121.850 119.828 2.022 1
1 827 . 12 0 1 A 88 88 HIS H H 88 8.524 9.372 -0.848 1
1 828 . 12 0 1 A 88 88 HIS HA H 88 4.597 4.031 0.566 1
1 832 . 12 0 1 A 88 88 HIS CA C 88 55.621 56.898 -1.277 1
1 833 . 12 0 1 A 88 88 HIS CB C 88 29.150 28.340 0.810 1
1 836 . 12 0 1 A 88 88 HIS N N 88 119.750 122.526 -2.776 1
1 837 . 12 0 1 A 89 89 ASP H H 89 8.343 8.738 -0.395 1
1 838 . 12 0 1 A 89 89 ASP HA H 89 4.579 3.968 0.611 1
1 840 . 12 0 1 A 89 89 ASP CA C 89 53.805 55.891 -2.086 1
1 841 . 12 0 1 A 89 89 ASP CB C 89 38.560 40.324 -1.764 1
1 842 . 12 0 1 A 89 89 ASP N N 89 120.950 116.342 4.608 1
1 9 . 13 0 1 A 2 2 HIS H H 2 8.902 9.216 -0.314 1
1 10 . 13 0 1 A 2 2 HIS HA H 2 4.665 4.546 0.119 1
1 14 . 13 0 1 A 2 2 HIS CA C 2 55.744 57.401 -1.657 1
1 15 . 13 0 1 A 2 2 HIS CB C 2 29.481 29.445 0.036 1
1 18 . 13 0 1 A 2 2 HIS N N 2 122.160 119.338 2.822 1
1 19 . 13 0 1 A 3 3 GLN H H 3 8.624 8.128 0.496 1
1 20 . 13 0 1 A 3 3 GLN HA H 3 4.265 4.508 -0.243 1
1 24 . 13 0 1 A 3 3 GLN CA C 3 55.961 55.273 0.688 1
1 25 . 13 0 1 A 3 3 GLN CB C 3 29.727 29.567 0.160 1
1 27 . 13 0 1 A 3 3 GLN N N 3 123.710 118.249 5.461 1
1 29 . 13 0 1 A 4 4 GLU H H 4 8.499 7.974 0.525 1
1 30 . 13 0 1 A 4 4 GLU HA H 4 4.250 4.459 -0.209 1
1 33 . 13 0 1 A 4 4 GLU CA C 4 56.888 57.258 -0.370 1
1 34 . 13 0 1 A 4 4 GLU CB C 4 29.316 30.055 -0.739 1
1 36 . 13 0 1 A 4 4 GLU N N 4 123.160 119.265 3.895 1
1 37 . 13 0 1 A 5 5 LEU H H 5 8.464 7.977 0.487 1
1 38 . 13 0 1 A 5 5 LEU HA H 5 4.004 4.003 0.001 1
1 50 . 13 0 1 A 5 5 LEU N N 5 123.070 120.497 2.573 1
1 51 . 13 0 1 A 6 6 CYS H H 6 7.980 7.592 0.388 1
1 52 . 13 0 1 A 6 6 CYS HA H 6 4.565 4.958 -0.393 1
1 55 . 13 0 1 A 6 6 CYS N N 6 113.540 114.766 -1.226 1
1 56 . 13 0 1 A 7 7 THR H H 7 7.639 7.918 -0.279 1
1 57 . 13 0 1 A 7 7 THR HA H 7 4.344 4.341 0.003 1
1 62 . 13 0 1 A 7 7 THR CA C 7 61.772 64.179 -2.407 1
1 63 . 13 0 1 A 7 7 THR CB C 7 69.825 69.980 -0.155 1
1 65 . 13 0 1 A 7 7 THR N N 7 108.740 114.645 -5.905 1
1 66 . 13 0 1 A 8 8 LYS H H 8 7.380 7.935 -0.555 1
1 67 . 13 0 1 A 8 8 LYS HA H 8 4.174 4.355 -0.181 1
1 72 . 13 0 1 A 8 8 LYS CA C 8 56.632 55.895 0.737 1
1 73 . 13 0 1 A 8 8 LYS CB C 8 34.166 32.278 1.888 1
1 75 . 13 0 1 A 8 8 LYS N N 8 122.500 118.780 3.720 1
1 76 . 13 0 1 A 9 9 GLY H H 9 8.554 8.243 0.311 1
1 77 . 13 0 1 A 9 9 GLY HA2 H 9 4.027 3.803 0.224 1
1 78 . 13 0 1 A 9 9 GLY HA3 H 9 3.868 3.804 0.064 1
1 79 . 13 0 1 A 9 9 GLY CA C 9 45.101 47.015 -1.914 1
1 80 . 13 0 1 A 9 9 GLY N N 9 108.960 108.204 0.756 1
1 81 . 13 0 1 A 10 10 ASP H H 10 8.455 9.152 -0.697 1
1 82 . 13 0 1 A 10 10 ASP HA H 10 4.146 4.354 -0.208 1
1 84 . 13 0 1 A 10 10 ASP CA C 10 57.568 56.966 0.602 1
1 85 . 13 0 1 A 10 10 ASP CB C 10 38.723 40.552 -1.829 1
1 86 . 13 0 1 A 10 10 ASP N N 10 118.550 126.750 -8.200 1
1 87 . 13 0 1 A 11 11 ASP H H 11 8.538 7.804 0.734 1
1 88 . 13 0 1 A 11 11 ASP HA H 11 4.262 4.376 -0.114 1
1 90 . 13 0 1 A 11 11 ASP CA C 11 56.696 57.168 -0.472 1
1 91 . 13 0 1 A 11 11 ASP CB C 11 37.812 40.498 -2.686 1
1 92 . 13 0 1 A 11 11 ASP N N 11 118.150 120.041 -1.891 1
1 93 . 13 0 1 A 12 12 ALA H H 12 7.935 7.632 0.303 1
1 94 . 13 0 1 A 12 12 ALA HA H 12 4.052 4.100 -0.048 1
1 98 . 13 0 1 A 12 12 ALA CA C 12 55.104 55.103 0.001 1
1 99 . 13 0 1 A 12 12 ALA CB C 12 19.122 18.520 0.602 1
1 100 . 13 0 1 A 12 12 ALA N N 12 123.880 122.419 1.461 1
1 101 . 13 0 1 A 13 13 LEU H H 13 8.367 7.755 0.612 1
1 102 . 13 0 1 A 13 13 LEU HA H 13 4.524 3.929 0.595 1
1 104 . 13 0 1 A 13 13 LEU CA C 13 54.138 57.639 -3.501 1
1 105 . 13 0 1 A 13 13 LEU CB C 13 39.063 41.117 -2.054 1
1 106 . 13 0 1 A 13 13 LEU N N 13 120.800 117.334 3.466 1
1 107 . 13 0 1 A 14 14 VAL H H 14 8.127 7.404 0.723 1
1 108 . 13 0 1 A 14 14 VAL HA H 14 3.354 3.765 -0.411 1
1 116 . 13 0 1 A 14 14 VAL CA C 14 67.895 65.741 2.154 1
1 117 . 13 0 1 A 14 14 VAL CB C 14 32.471 31.713 0.758 1
1 120 . 13 0 1 A 14 14 VAL N N 14 121.290 120.042 1.248 1
1 121 . 13 0 1 A 15 15 THR H H 15 7.813 8.020 -0.207 1
1 122 . 13 0 1 A 15 15 THR HA H 15 3.824 3.760 0.064 1
1 127 . 13 0 1 A 15 15 THR CA C 15 66.838 67.251 -0.413 1
1 128 . 13 0 1 A 15 15 THR CB C 15 69.152 68.518 0.634 1
1 130 . 13 0 1 A 15 15 THR N N 15 115.770 116.912 -1.142 1
1 131 . 13 0 1 A 16 16 GLU H H 16 8.201 8.996 -0.795 1
1 132 . 13 0 1 A 16 16 GLU HA H 16 4.134 4.003 0.131 1
1 136 . 13 0 1 A 16 16 GLU CA C 16 60.219 59.015 1.204 1
1 137 . 13 0 1 A 16 16 GLU CB C 16 27.443 28.705 -1.262 1
1 139 . 13 0 1 A 16 16 GLU N N 16 123.330 119.519 3.811 1
1 140 . 13 0 1 A 17 17 LEU H H 17 8.637 8.192 0.445 1
1 141 . 13 0 1 A 17 17 LEU HA H 17 3.779 3.916 -0.137 1
1 145 . 13 0 1 A 17 17 LEU CA C 17 58.646 57.933 0.713 1
1 146 . 13 0 1 A 17 17 LEU CB C 17 41.289 41.617 -0.328 1
1 147 . 13 0 1 A 17 17 LEU N N 17 119.350 121.895 -2.545 1
1 148 . 13 0 1 A 18 18 GLU H H 18 7.903 8.689 -0.786 1
1 149 . 13 0 1 A 18 18 GLU HA H 18 4.048 3.866 0.182 1
1 153 . 13 0 1 A 18 18 GLU CA C 18 59.140 59.696 -0.556 1
1 154 . 13 0 1 A 18 18 GLU CB C 18 27.587 29.023 -1.436 1
1 156 . 13 0 1 A 18 18 GLU N N 18 122.730 117.847 4.883 1
1 157 . 13 0 1 A 19 19 CYS H H 19 7.231 7.697 -0.466 1
1 158 . 13 0 1 A 19 19 CYS HA H 19 4.135 4.367 -0.232 1
1 161 . 13 0 1 A 19 19 CYS CA C 19 60.041 59.049 0.992 1
1 162 . 13 0 1 A 19 19 CYS CB C 19 39.419 42.114 -2.695 1
1 163 . 13 0 1 A 19 19 CYS N N 19 120.230 118.093 2.137 1
1 164 . 13 0 1 A 20 20 ILE H H 20 8.433 8.393 0.040 1
1 165 . 13 0 1 A 20 20 ILE HA H 20 3.288 3.966 -0.678 1
1 174 . 13 0 1 A 20 20 ILE CA C 20 66.135 61.871 4.264 1
1 175 . 13 0 1 A 20 20 ILE CB C 20 39.423 37.387 2.036 1
1 179 . 13 0 1 A 20 20 ILE N N 20 122.030 120.539 1.491 1
1 180 . 13 0 1 A 21 21 ARG H H 21 7.644 7.308 0.336 1
1 181 . 13 0 1 A 21 21 ARG HA H 21 3.823 4.251 -0.428 1
1 183 . 13 0 1 A 21 21 ARG CA C 21 59.557 56.232 3.325 1
1 184 . 13 0 1 A 21 21 ARG CB C 21 30.680 30.379 0.301 1
1 187 . 13 0 1 A 21 21 ARG N N 21 119.330 121.826 -2.496 1
1 188 . 13 0 1 A 22 22 LEU H H 22 6.877 7.914 -1.037 1
1 189 . 13 0 1 A 22 22 LEU HA H 22 4.111 4.081 0.030 1
1 199 . 13 0 1 A 22 22 LEU CA C 22 56.458 56.557 -0.099 1
1 200 . 13 0 1 A 22 22 LEU CB C 22 42.824 41.858 0.966 1
1 204 . 13 0 1 A 22 22 LEU N N 22 114.780 118.379 -3.599 1
1 205 . 13 0 1 A 23 23 ARG H H 23 7.570 8.166 -0.596 1
1 206 . 13 0 1 A 23 23 ARG HA H 23 4.384 4.448 -0.064 1
1 212 . 13 0 1 A 23 23 ARG CA C 23 56.733 56.386 0.347 1
1 213 . 13 0 1 A 23 23 ARG CB C 23 33.160 30.493 2.667 1
1 216 . 13 0 1 A 23 23 ARG N N 23 117.100 117.865 -0.765 1
1 218 . 13 0 1 A 24 24 ILE H H 24 7.041 7.760 -0.719 1
1 219 . 13 0 1 A 24 24 ILE HA H 24 4.653 3.742 0.911 1
1 229 . 13 0 1 A 24 24 ILE CA C 24 60.889 64.628 -3.739 1
1 230 . 13 0 1 A 24 24 ILE CB C 24 40.480 38.160 2.320 1
1 234 . 13 0 1 A 24 24 ILE N N 24 112.510 121.712 -9.202 1
1 235 . 13 0 1 A 25 25 SER H H 25 8.441 7.493 0.948 1
1 236 . 13 0 1 A 25 25 SER HA H 25 4.572 4.549 0.023 1
1 239 . 13 0 1 A 25 25 SER CA C 25 58.047 59.500 -1.453 1
1 240 . 13 0 1 A 25 25 SER CB C 25 63.703 65.047 -1.344 1
1 241 . 13 0 1 A 25 25 SER N N 25 116.820 112.036 4.784 1
1 242 . 13 0 1 A 26 26 PRO HA H 26 4.457 4.615 -0.158 1
1 248 . 13 0 1 A 26 26 PRO CA C 26 66.703 62.477 4.226 1
1 249 . 13 0 1 A 26 26 PRO CB C 26 32.374 32.890 -0.516 1
1 252 . 13 0 1 A 27 27 GLU H H 27 8.543 8.837 -0.294 1
1 253 . 13 0 1 A 27 27 GLU HA H 27 4.170 4.177 -0.007 1
1 257 . 13 0 1 A 27 27 GLU CA C 27 60.003 58.809 1.194 1
1 258 . 13 0 1 A 27 27 GLU CB C 27 27.944 29.034 -1.090 1
1 260 . 13 0 1 A 27 27 GLU N N 27 117.750 121.669 -3.919 1
1 261 . 13 0 1 A 28 28 THR H H 28 8.099 7.870 0.229 1
1 262 . 13 0 1 A 28 28 THR HA H 28 4.178 3.263 0.915 1
1 267 . 13 0 1 A 28 28 THR CA C 28 67.201 65.706 1.495 1
1 268 . 13 0 1 A 28 28 THR CB C 28 67.314 69.391 -2.077 1
1 270 . 13 0 1 A 28 28 THR N N 28 122.040 115.551 6.489 1
1 271 . 13 0 1 A 29 29 ASN H H 29 8.621 8.098 0.523 1
1 272 . 13 0 1 A 29 29 ASN HA H 29 4.522 4.503 0.019 1
1 276 . 13 0 1 A 29 29 ASN CA C 29 58.319 56.189 2.130 1
1 277 . 13 0 1 A 29 29 ASN CB C 29 39.553 38.328 1.225 1
1 278 . 13 0 1 A 29 29 ASN N N 29 122.850 119.900 2.950 1
1 280 . 13 0 1 A 30 30 ALA H H 30 8.185 8.076 0.109 1
1 281 . 13 0 1 A 30 30 ALA HA H 30 4.141 4.108 0.033 1
1 285 . 13 0 1 A 30 30 ALA CA C 30 55.716 55.109 0.607 1
1 286 . 13 0 1 A 30 30 ALA CB C 30 17.815 18.166 -0.351 1
1 287 . 13 0 1 A 30 30 ALA N N 30 123.330 122.107 1.223 1
1 288 . 13 0 1 A 31 31 ALA H H 31 7.852 8.293 -0.441 1
1 289 . 13 0 1 A 31 31 ALA HA H 31 4.182 3.787 0.395 1
1 293 . 13 0 1 A 31 31 ALA CA C 31 55.395 54.865 0.530 1
1 294 . 13 0 1 A 31 31 ALA CB C 31 18.712 18.404 0.308 1
1 295 . 13 0 1 A 31 31 ALA N N 31 122.920 119.692 3.228 1
1 296 . 13 0 1 A 32 32 PHE H H 32 8.497 7.278 1.219 1
1 297 . 13 0 1 A 32 32 PHE HA H 32 4.300 4.267 0.033 1
1 303 . 13 0 1 A 32 32 PHE CA C 32 59.972 61.228 -1.256 1
1 304 . 13 0 1 A 32 32 PHE CB C 32 39.152 38.058 1.094 1
1 308 . 13 0 1 A 32 32 PHE N N 32 123.980 116.400 7.580 1
1 309 . 13 0 1 A 33 33 ASP H H 33 8.380 8.178 0.202 1
1 310 . 13 0 1 A 33 33 ASP HA H 33 4.298 4.319 -0.021 1
1 313 . 13 0 1 A 33 33 ASP CA C 33 57.394 57.525 -0.131 1
1 314 . 13 0 1 A 33 33 ASP CB C 33 38.380 41.237 -2.857 1
1 315 . 13 0 1 A 33 33 ASP N N 33 119.640 120.867 -1.227 1
1 316 . 13 0 1 A 34 34 ASN H H 34 7.854 7.966 -0.112 1
1 317 . 13 0 1 A 34 34 ASN HA H 34 4.410 4.360 0.050 1
1 321 . 13 0 1 A 34 34 ASN CA C 34 56.974 56.627 0.347 1
1 322 . 13 0 1 A 34 34 ASN CB C 34 38.740 38.832 -0.092 1
1 323 . 13 0 1 A 34 34 ASN N N 34 119.710 117.351 2.359 1
1 325 . 13 0 1 A 35 35 ALA H H 35 7.743 8.426 -0.683 1
1 326 . 13 0 1 A 35 35 ALA HA H 35 2.999 3.984 -0.985 1
1 330 . 13 0 1 A 35 35 ALA CA C 35 55.881 55.089 0.792 1
1 331 . 13 0 1 A 35 35 ALA CB C 35 17.360 18.923 -1.563 1
1 332 . 13 0 1 A 35 35 ALA N N 35 123.520 121.567 1.953 1
1 333 . 13 0 1 A 36 36 VAL H H 36 7.802 8.556 -0.754 1
1 334 . 13 0 1 A 36 36 VAL HA H 36 2.973 3.546 -0.573 1
1 342 . 13 0 1 A 36 36 VAL CA C 36 67.829 66.377 1.452 1
1 343 . 13 0 1 A 36 36 VAL CB C 36 32.410 31.209 1.201 1
1 346 . 13 0 1 A 36 36 VAL N N 36 115.430 117.767 -2.337 1
1 347 . 13 0 1 A 37 37 GLN H H 37 7.027 7.909 -0.882 1
1 348 . 13 0 1 A 37 37 GLN HA H 37 4.093 3.956 0.137 1
1 353 . 13 0 1 A 37 37 GLN CA C 37 59.039 59.305 -0.266 1
1 354 . 13 0 1 A 37 37 GLN CB C 37 28.910 28.199 0.711 1
1 356 . 13 0 1 A 37 37 GLN N N 37 116.140 121.149 -5.009 1
1 358 . 13 0 1 A 38 38 GLN H H 38 8.443 7.769 0.674 1
1 359 . 13 0 1 A 38 38 GLN HA H 38 3.939 3.942 -0.003 1
1 365 . 13 0 1 A 38 38 GLN CA C 38 58.748 58.886 -0.138 1
1 366 . 13 0 1 A 38 38 GLN CB C 38 28.854 28.432 0.422 1
1 368 . 13 0 1 A 38 38 GLN N N 38 120.080 118.885 1.195 1
1 370 . 13 0 1 A 39 39 LEU H H 39 7.565 7.758 -0.193 1
1 371 . 13 0 1 A 39 39 LEU HA H 39 4.199 4.147 0.052 1
1 380 . 13 0 1 A 39 39 LEU CA C 39 54.901 56.571 -1.670 1
1 381 . 13 0 1 A 39 39 LEU CB C 39 42.208 41.952 0.256 1
1 383 . 13 0 1 A 39 39 LEU N N 39 117.930 119.196 -1.266 1
1 384 . 13 0 1 A 40 40 ASN H H 40 7.976 8.085 -0.109 1
1 385 . 13 0 1 A 40 40 ASN HA H 40 4.313 4.676 -0.363 1
1 389 . 13 0 1 A 40 40 ASN CA C 40 54.625 53.948 0.677 1
1 390 . 13 0 1 A 40 40 ASN CB C 40 36.903 35.826 1.077 1
1 391 . 13 0 1 A 40 40 ASN N N 40 118.780 117.344 1.436 1
1 393 . 13 0 1 A 41 41 CYS H H 41 7.833 8.202 -0.369 1
1 394 . 13 0 1 A 41 41 CYS HA H 41 4.888 4.653 0.235 1
1 397 . 13 0 1 A 41 41 CYS CA C 41 55.148 56.546 -1.398 1
1 398 . 13 0 1 A 41 41 CYS CB C 41 42.078 43.044 -0.966 1
1 399 . 13 0 1 A 41 41 CYS N N 41 115.600 117.745 -2.145 1
1 400 . 13 0 1 A 42 42 LEU H H 42 8.371 7.910 0.461 1
1 401 . 13 0 1 A 42 42 LEU HA H 42 4.340 3.978 0.362 1
1 410 . 13 0 1 A 42 42 LEU CA C 42 55.342 56.877 -1.535 1
1 411 . 13 0 1 A 42 42 LEU CB C 42 43.358 40.247 3.111 1
1 415 . 13 0 1 A 42 42 LEU N N 42 116.770 118.376 -1.606 1
1 416 . 13 0 1 A 43 43 ASN H H 43 7.025 7.588 -0.563 1
1 417 . 13 0 1 A 43 43 ASN HA H 43 4.767 4.957 -0.190 1
1 422 . 13 0 1 A 43 43 ASN CA C 43 51.715 52.322 -0.607 1
1 423 . 13 0 1 A 43 43 ASN CB C 43 41.011 40.289 0.722 1
1 424 . 13 0 1 A 43 43 ASN N N 43 111.360 113.199 -1.839 1
1 426 . 13 0 1 A 44 44 ARG H H 44 8.735 9.081 -0.346 1
1 427 . 13 0 1 A 44 44 ARG HA H 44 3.868 4.064 -0.196 1
1 431 . 13 0 1 A 44 44 ARG CA C 44 60.307 59.228 1.079 1
1 432 . 13 0 1 A 44 44 ARG CB C 44 30.895 29.893 1.002 1
1 433 . 13 0 1 A 44 44 ARG N N 44 118.870 120.525 -1.655 1
1 434 . 13 0 1 A 45 45 ALA H H 45 8.381 8.139 0.242 1
1 435 . 13 0 1 A 45 45 ALA HA H 45 3.814 4.496 -0.682 1
1 439 . 13 0 1 A 45 45 ALA CA C 45 56.384 55.265 1.119 1
1 440 . 13 0 1 A 45 45 ALA CB C 45 17.800 18.184 -0.384 1
1 441 . 13 0 1 A 45 45 ALA N N 45 125.360 121.446 3.914 1
1 442 . 13 0 1 A 46 46 CYS H H 46 8.027 8.027 0.000 1
1 443 . 13 0 1 A 46 46 CYS HA H 46 4.168 4.210 -0.042 1
1 446 . 13 0 1 A 46 46 CYS CA C 46 59.006 58.601 0.405 1
1 447 . 13 0 1 A 46 46 CYS CB C 46 33.410 41.961 -8.551 1
1 448 . 13 0 1 A 46 46 CYS N N 46 117.400 116.852 0.548 1
1 449 . 13 0 1 A 47 47 ALA H H 47 7.144 7.874 -0.730 1
1 450 . 13 0 1 A 47 47 ALA HA H 47 3.837 4.000 -0.163 1
1 454 . 13 0 1 A 47 47 ALA CA C 47 55.130 54.977 0.153 1
1 455 . 13 0 1 A 47 47 ALA CB C 47 19.618 18.567 1.051 1
1 456 . 13 0 1 A 47 47 ALA N N 47 123.130 122.622 0.508 1
1 457 . 13 0 1 A 48 48 TYR H H 48 8.841 8.786 0.055 1
1 458 . 13 0 1 A 48 48 TYR HA H 48 3.896 4.321 -0.425 1
1 462 . 13 0 1 A 48 48 TYR CA C 48 63.769 61.562 2.207 1
1 463 . 13 0 1 A 48 48 TYR CB C 48 40.446 37.722 2.724 1
1 466 . 13 0 1 A 48 48 TYR N N 48 120.860 116.433 4.427 1
1 467 . 13 0 1 A 49 49 ARG H H 49 8.501 8.624 -0.123 1
1 468 . 13 0 1 A 49 49 ARG HA H 49 3.840 4.019 -0.179 1
1 470 . 13 0 1 A 49 49 ARG CA C 49 60.324 59.608 0.716 1
1 471 . 13 0 1 A 49 49 ARG CB C 49 29.890 30.017 -0.127 1
1 472 . 13 0 1 A 49 49 ARG N N 49 117.110 121.024 -3.914 1
1 473 . 13 0 1 A 50 50 LYS H H 50 7.817 7.751 0.066 1
1 474 . 13 0 1 A 50 50 LYS HA H 50 3.965 4.124 -0.159 1
1 477 . 13 0 1 A 50 50 LYS CA C 50 61.111 59.011 2.100 1
1 478 . 13 0 1 A 50 50 LYS CB C 50 33.272 31.668 1.604 1
1 479 . 13 0 1 A 50 50 LYS N N 50 119.510 119.038 0.472 1
1 480 . 13 0 1 A 51 51 MET H H 51 7.934 8.222 -0.288 1
1 481 . 13 0 1 A 51 51 MET HA H 51 4.199 3.984 0.215 1
1 484 . 13 0 1 A 51 51 MET CA C 51 60.407 58.729 1.678 1
1 485 . 13 0 1 A 51 51 MET CB C 51 33.492 31.875 1.617 1
1 487 . 13 0 1 A 51 51 MET N N 51 119.740 118.613 1.127 1
1 488 . 13 0 1 A 52 52 CYS H H 52 8.545 8.236 0.309 1
1 489 . 13 0 1 A 52 52 CYS HA H 52 4.018 3.762 0.256 1
1 492 . 13 0 1 A 52 52 CYS CA C 52 60.109 59.038 1.071 1
1 493 . 13 0 1 A 52 52 CYS CB C 52 40.790 41.842 -1.052 1
1 494 . 13 0 1 A 52 52 CYS N N 52 119.160 117.591 1.569 1
1 495 . 13 0 1 A 53 53 ALA H H 53 7.626 7.718 -0.092 1
1 496 . 13 0 1 A 53 53 ALA HA H 53 4.182 4.178 0.004 1
1 500 . 13 0 1 A 53 53 ALA CA C 53 54.149 54.801 -0.652 1
1 501 . 13 0 1 A 53 53 ALA CB C 53 18.492 19.437 -0.945 1
1 502 . 13 0 1 A 53 53 ALA N N 53 122.360 122.287 0.073 1
1 503 . 13 0 1 A 54 54 THR H H 54 7.041 8.381 -1.340 1
1 504 . 13 0 1 A 54 54 THR HA H 54 4.180 4.689 -0.509 1
1 509 . 13 0 1 A 54 54 THR CA C 54 63.143 61.104 2.039 1
1 510 . 13 0 1 A 54 54 THR CB C 54 71.301 69.880 1.421 1
1 512 . 13 0 1 A 54 54 THR N N 54 107.780 109.927 -2.147 1
1 513 . 13 0 1 A 55 55 ASN H H 55 8.071 8.193 -0.122 1
1 514 . 13 0 1 A 55 55 ASN HA H 55 4.409 4.757 -0.348 1
1 518 . 13 0 1 A 55 55 ASN CA C 55 55.475 55.400 0.075 1
1 519 . 13 0 1 A 55 55 ASN CB C 55 38.226 37.348 0.878 1
1 520 . 13 0 1 A 55 55 ASN N N 55 114.220 116.116 -1.896 1
1 522 . 13 0 1 A 56 56 ASN H H 56 7.751 8.254 -0.503 1
1 523 . 13 0 1 A 56 56 ASN HA H 56 4.598 4.826 -0.228 1
1 528 . 13 0 1 A 56 56 ASN CA C 56 53.301 54.464 -1.163 1
1 529 . 13 0 1 A 56 56 ASN CB C 56 38.408 39.503 -1.095 1
1 530 . 13 0 1 A 56 56 ASN N N 56 117.400 117.935 -0.535 1
1 532 . 13 0 1 A 57 57 LEU H H 57 8.623 8.307 0.316 1
1 533 . 13 0 1 A 57 57 LEU HA H 57 3.783 3.980 -0.197 1
1 536 . 13 0 1 A 57 57 LEU CA C 57 58.796 58.002 0.794 1
1 537 . 13 0 1 A 57 57 LEU CB C 57 42.709 41.291 1.418 1
1 538 . 13 0 1 A 57 57 LEU N N 57 127.190 119.746 7.444 1
1 539 . 13 0 1 A 58 58 GLU H H 58 8.353 8.659 -0.306 1
1 540 . 13 0 1 A 58 58 GLU HA H 58 3.792 4.146 -0.354 1
1 543 . 13 0 1 A 58 58 GLU CA C 58 60.263 58.132 2.131 1
1 544 . 13 0 1 A 58 58 GLU CB C 58 27.565 27.900 -0.335 1
1 546 . 13 0 1 A 58 58 GLU N N 58 117.370 121.689 -4.319 1
1 547 . 13 0 1 A 59 59 GLN H H 59 7.434 8.099 -0.665 1
1 548 . 13 0 1 A 59 59 GLN HA H 59 3.850 3.987 -0.137 1
1 553 . 13 0 1 A 59 59 GLN CA C 59 58.858 58.918 -0.060 1
1 554 . 13 0 1 A 59 59 GLN CB C 59 28.858 28.579 0.279 1
1 556 . 13 0 1 A 59 59 GLN N N 59 119.730 119.813 -0.083 1
1 558 . 13 0 1 A 60 60 ALA H H 60 8.043 7.797 0.246 1
1 559 . 13 0 1 A 60 60 ALA HA H 60 4.090 4.130 -0.040 1
1 563 . 13 0 1 A 60 60 ALA CA C 60 55.496 54.783 0.713 1
1 564 . 13 0 1 A 60 60 ALA CB C 60 19.168 18.968 0.200 1
1 565 . 13 0 1 A 60 60 ALA N N 60 124.010 120.757 3.253 1
1 566 . 13 0 1 A 61 61 MET H H 61 8.690 8.312 0.378 1
1 567 . 13 0 1 A 61 61 MET HA H 61 4.240 3.756 0.484 1
1 571 . 13 0 1 A 61 61 MET CA C 61 59.964 57.933 2.031 1
1 572 . 13 0 1 A 61 61 MET CB C 61 34.709 32.159 2.550 1
1 574 . 13 0 1 A 61 61 MET N N 61 114.840 117.030 -2.190 1
1 575 . 13 0 1 A 62 62 SER H H 62 7.697 7.668 0.029 1
1 576 . 13 0 1 A 62 62 SER HA H 62 4.527 3.905 0.622 1
1 579 . 13 0 1 A 62 62 SER CA C 62 61.590 61.064 0.526 1
1 580 . 13 0 1 A 62 62 SER CB C 62 63.726 63.064 0.662 1
1 581 . 13 0 1 A 62 62 SER N N 62 115.290 115.197 0.093 1
1 582 . 13 0 1 A 63 63 VAL H H 63 6.876 7.717 -0.841 1
1 583 . 13 0 1 A 63 63 VAL HA H 63 3.366 3.596 -0.230 1
1 591 . 13 0 1 A 63 63 VAL CA C 63 65.247 66.231 -0.984 1
1 592 . 13 0 1 A 63 63 VAL CB C 63 32.621 31.469 1.152 1
1 595 . 13 0 1 A 63 63 VAL N N 63 120.720 121.807 -1.087 1
1 596 . 13 0 1 A 64 64 TYR H H 64 6.677 7.792 -1.115 1
1 597 . 13 0 1 A 64 64 TYR HA H 64 4.274 4.360 -0.086 1
1 602 . 13 0 1 A 64 64 TYR CA C 64 57.735 60.380 -2.645 1
1 603 . 13 0 1 A 64 64 TYR CB C 64 42.007 38.956 3.051 1
1 606 . 13 0 1 A 64 64 TYR N N 64 115.320 118.661 -3.341 1
1 607 . 13 0 1 A 65 65 PHE H H 65 8.052 7.922 0.130 1
1 608 . 13 0 1 A 65 65 PHE HA H 65 5.160 4.835 0.325 1
1 614 . 13 0 1 A 65 65 PHE CA C 65 56.486 55.399 1.087 1
1 615 . 13 0 1 A 65 65 PHE CB C 65 43.296 41.326 1.970 1
1 619 . 13 0 1 A 65 65 PHE N N 65 117.410 116.379 1.031 1
1 620 . 13 0 1 A 66 66 THR H H 66 8.302 8.797 -0.495 1
1 621 . 13 0 1 A 66 66 THR HA H 66 4.657 4.955 -0.298 1
1 626 . 13 0 1 A 66 66 THR CA C 66 60.932 60.245 0.687 1
1 627 . 13 0 1 A 66 66 THR CB C 66 71.138 72.028 -0.890 1
1 629 . 13 0 1 A 66 66 THR N N 66 111.430 112.143 -0.713 1
1 630 . 13 0 1 A 67 67 ASN H H 67 9.025 9.284 -0.259 1
1 631 . 13 0 1 A 67 67 ASN HA H 67 4.223 4.555 -0.332 1
1 636 . 13 0 1 A 67 67 ASN CA C 67 57.459 56.071 1.388 1
1 637 . 13 0 1 A 67 67 ASN CB C 67 38.180 37.485 0.695 1
1 638 . 13 0 1 A 67 67 ASN N N 67 120.120 119.188 0.932 1
1 640 . 13 0 1 A 68 68 GLU H H 68 8.403 8.535 -0.132 1
1 641 . 13 0 1 A 68 68 GLU HA H 68 3.956 4.002 -0.046 1
1 645 . 13 0 1 A 68 68 GLU CA C 68 59.700 59.420 0.280 1
1 646 . 13 0 1 A 68 68 GLU CB C 68 28.105 29.043 -0.938 1
1 648 . 13 0 1 A 68 68 GLU N N 68 120.220 118.788 1.432 1
1 649 . 13 0 1 A 69 69 GLN H H 69 7.411 7.969 -0.558 1
1 650 . 13 0 1 A 69 69 GLN HA H 69 3.822 4.002 -0.180 1
1 657 . 13 0 1 A 69 69 GLN CA C 69 58.952 58.665 0.287 1
1 658 . 13 0 1 A 69 69 GLN CB C 69 28.418 27.898 0.520 1
1 659 . 13 0 1 A 69 69 GLN N N 69 120.940 119.097 1.843 1
1 661 . 13 0 1 A 70 70 ILE H H 70 8.327 7.274 1.053 1
1 662 . 13 0 1 A 70 70 ILE HA H 70 3.036 3.741 -0.705 1
1 671 . 13 0 1 A 70 70 ILE CA C 70 66.926 61.995 4.931 1
1 672 . 13 0 1 A 70 70 ILE CB C 70 38.603 37.810 0.793 1
1 676 . 13 0 1 A 70 70 ILE N N 70 120.560 119.570 0.990 1
1 677 . 13 0 1 A 71 71 LYS H H 71 7.554 7.971 -0.417 1
1 678 . 13 0 1 A 71 71 LYS HA H 71 3.909 3.986 -0.077 1
1 681 . 13 0 1 A 71 71 LYS CA C 71 60.156 60.299 -0.143 1
1 682 . 13 0 1 A 71 71 LYS CB C 71 32.294 32.031 0.263 1
1 683 . 13 0 1 A 71 71 LYS N N 71 121.040 121.858 -0.818 1
1 684 . 13 0 1 A 72 72 GLU H H 72 7.885 7.854 0.031 1
1 685 . 13 0 1 A 72 72 GLU HA H 72 3.989 4.073 -0.084 1
1 688 . 13 0 1 A 72 72 GLU CA C 72 60.266 59.142 1.124 1
1 689 . 13 0 1 A 72 72 GLU CB C 72 30.213 29.433 0.780 1
1 691 . 13 0 1 A 72 72 GLU N N 72 119.670 119.612 0.058 1
1 692 . 13 0 1 A 73 73 ILE H H 73 8.193 7.833 0.360 1
1 693 . 13 0 1 A 73 73 ILE HA H 73 3.312 3.955 -0.643 1
1 703 . 13 0 1 A 73 73 ILE CA C 73 66.520 63.440 3.080 1
1 704 . 13 0 1 A 73 73 ILE CB C 73 38.344 37.364 0.980 1
1 708 . 13 0 1 A 73 73 ILE N N 73 121.390 120.264 1.126 1
1 709 . 13 0 1 A 74 74 HIS H H 74 8.624 8.120 0.504 1
1 710 . 13 0 1 A 74 74 HIS HA H 74 4.174 4.221 -0.047 1
1 714 . 13 0 1 A 74 74 HIS CA C 74 59.179 60.199 -1.020 1
1 715 . 13 0 1 A 74 74 HIS CB C 74 28.498 30.028 -1.530 1
1 718 . 13 0 1 A 74 74 HIS N N 74 119.430 121.342 -1.912 1
1 719 . 13 0 1 A 75 75 ASP H H 75 8.824 8.291 0.533 1
1 720 . 13 0 1 A 75 75 ASP HA H 75 4.276 4.299 -0.023 1
1 722 . 13 0 1 A 75 75 ASP CA C 75 56.474 57.929 -1.455 1
1 723 . 13 0 1 A 75 75 ASP CB C 75 38.100 41.488 -3.388 1
1 724 . 13 0 1 A 75 75 ASP N N 75 119.980 119.517 0.463 1
1 725 . 13 0 1 A 76 76 ALA H H 76 8.064 8.546 -0.482 1
1 726 . 13 0 1 A 76 76 ALA HA H 76 4.012 4.046 -0.034 1
1 730 . 13 0 1 A 76 76 ALA CA C 76 54.988 55.112 -0.124 1
1 731 . 13 0 1 A 76 76 ALA CB C 76 20.747 18.061 2.686 1
1 732 . 13 0 1 A 76 76 ALA N N 76 125.030 120.815 4.215 1
1 733 . 13 0 1 A 77 77 ALA H H 77 8.659 8.435 0.224 1
1 734 . 13 0 1 A 77 77 ALA HA H 77 3.613 4.092 -0.479 1
1 738 . 13 0 1 A 77 77 ALA CA C 77 55.772 53.161 2.611 1
1 739 . 13 0 1 A 77 77 ALA CB C 77 18.217 18.445 -0.228 1
1 740 . 13 0 1 A 77 77 ALA N N 77 122.060 120.219 1.841 1
1 741 . 13 0 1 A 78 78 THR H H 78 7.651 7.360 0.291 1
1 742 . 13 0 1 A 78 78 THR HA H 78 3.762 4.020 -0.258 1
1 747 . 13 0 1 A 78 78 THR CA C 78 66.360 65.224 1.136 1
1 748 . 13 0 1 A 78 78 THR CB C 78 68.873 69.470 -0.597 1
1 750 . 13 0 1 A 78 78 THR N N 78 113.580 112.278 1.302 1
1 751 . 13 0 1 A 79 79 ALA H H 79 7.291 7.851 -0.560 1
1 752 . 13 0 1 A 79 79 ALA HA H 79 4.022 4.238 -0.216 1
1 756 . 13 0 1 A 79 79 ALA CA C 79 54.713 51.795 2.918 1
1 757 . 13 0 1 A 79 79 ALA CB C 79 18.695 18.662 0.033 1
1 758 . 13 0 1 A 79 79 ALA N N 79 123.330 118.731 4.599 1
1 759 . 13 0 1 A 80 80 CYS H H 80 7.781 7.819 -0.038 1
1 760 . 13 0 1 A 80 80 CYS HA H 80 4.295 4.874 -0.579 1
1 762 . 13 0 1 A 80 80 CYS CA C 80 57.577 57.858 -0.281 1
1 763 . 13 0 1 A 80 80 CYS CB C 80 43.192 40.767 2.425 1
1 764 . 13 0 1 A 80 80 CYS N N 80 115.190 114.720 0.470 1
1 765 . 13 0 1 A 81 81 ASP H H 81 7.323 7.516 -0.193 1
1 766 . 13 0 1 A 81 81 ASP HA H 81 4.743 4.846 -0.103 1
1 769 . 13 0 1 A 81 81 ASP CA C 81 52.419 50.896 1.523 1
1 770 . 13 0 1 A 81 81 ASP CB C 81 40.376 42.740 -2.364 1
1 771 . 13 0 1 A 81 81 ASP N N 81 121.570 118.819 2.751 1
1 772 . 13 0 1 A 82 82 PRO HA H 82 4.312 4.617 -0.305 1
1 777 . 13 0 1 A 82 82 PRO CA C 82 64.427 63.079 1.348 1
1 778 . 13 0 1 A 82 82 PRO CB C 82 32.685 30.933 1.752 1
1 780 . 13 0 1 A 83 83 GLU H H 83 8.036 8.710 -0.674 1
1 781 . 13 0 1 A 83 83 GLU HA H 83 4.126 3.971 0.155 1
1 785 . 13 0 1 A 83 83 GLU CA C 83 56.523 57.321 -0.798 1
1 786 . 13 0 1 A 83 83 GLU CB C 83 28.819 28.463 0.356 1
1 788 . 13 0 1 A 83 83 GLU N N 83 118.550 118.688 -0.138 1
1 789 . 13 0 1 A 84 84 ALA H H 84 7.695 8.565 -0.870 1
1 790 . 13 0 1 A 84 84 ALA HA H 84 4.083 3.968 0.115 1
1 794 . 13 0 1 A 84 84 ALA CA C 84 52.963 53.275 -0.312 1
1 795 . 13 0 1 A 84 84 ALA CB C 84 19.516 17.355 2.161 1
1 796 . 13 0 1 A 84 84 ALA N N 84 123.730 116.685 7.045 1
1 797 . 13 0 1 A 85 85 HIS H H 85 8.078 8.095 -0.017 1
1 798 . 13 0 1 A 85 85 HIS HA H 85 4.529 4.400 0.129 1
1 803 . 13 0 1 A 85 85 HIS CA C 85 55.480 57.003 -1.523 1
1 804 . 13 0 1 A 85 85 HIS CB C 85 29.115 26.535 2.580 1
1 807 . 13 0 1 A 85 85 HIS N N 85 117.030 106.808 10.222 1
1 808 . 13 0 1 A 86 86 HIS H H 86 8.352 8.042 0.310 1
1 809 . 13 0 1 A 86 86 HIS HA H 86 4.596 4.699 -0.103 1
1 814 . 13 0 1 A 86 86 HIS CA C 86 55.496 56.657 -1.161 1
1 815 . 13 0 1 A 86 86 HIS CB C 86 29.414 32.300 -2.886 1
1 818 . 13 0 1 A 86 86 HIS N N 86 120.170 117.241 2.929 1
1 819 . 13 0 1 A 87 87 GLU H H 87 8.300 7.813 0.487 1
1 820 . 13 0 1 A 87 87 GLU HA H 87 4.194 4.152 0.042 1
1 823 . 13 0 1 A 87 87 GLU CA C 87 56.264 58.590 -2.326 1
1 824 . 13 0 1 A 87 87 GLU CB C 87 29.329 28.345 0.984 1
1 826 . 13 0 1 A 87 87 GLU N N 87 121.850 118.202 3.648 1
1 827 . 13 0 1 A 88 88 HIS H H 88 8.524 8.799 -0.275 1
1 828 . 13 0 1 A 88 88 HIS HA H 88 4.597 4.318 0.279 1
1 832 . 13 0 1 A 88 88 HIS CA C 88 55.621 56.641 -1.020 1
1 833 . 13 0 1 A 88 88 HIS CB C 88 29.150 28.233 0.917 1
1 836 . 13 0 1 A 88 88 HIS N N 88 119.750 120.156 -0.406 1
1 837 . 13 0 1 A 89 89 ASP H H 89 8.343 8.325 0.018 1
1 838 . 13 0 1 A 89 89 ASP HA H 89 4.579 4.431 0.148 1
1 840 . 13 0 1 A 89 89 ASP CA C 89 53.805 56.122 -2.317 1
1 841 . 13 0 1 A 89 89 ASP CB C 89 38.560 40.650 -2.090 1
1 842 . 13 0 1 A 89 89 ASP N N 89 120.950 126.256 -5.306 1
1 9 . 14 0 1 A 2 2 HIS H H 2 8.902 8.156 0.746 1
1 10 . 14 0 1 A 2 2 HIS HA H 2 4.665 4.021 0.644 1
1 14 . 14 0 1 A 2 2 HIS CA C 2 55.744 56.581 -0.837 1
1 15 . 14 0 1 A 2 2 HIS CB C 2 29.481 26.906 2.575 1
1 18 . 14 0 1 A 2 2 HIS N N 2 122.160 111.178 10.982 1
1 19 . 14 0 1 A 3 3 GLN H H 3 8.624 7.967 0.657 1
1 20 . 14 0 1 A 3 3 GLN HA H 3 4.265 4.483 -0.218 1
1 24 . 14 0 1 A 3 3 GLN CA C 3 55.961 57.123 -1.162 1
1 25 . 14 0 1 A 3 3 GLN CB C 3 29.727 31.339 -1.612 1
1 27 . 14 0 1 A 3 3 GLN N N 3 123.710 116.333 7.377 1
1 29 . 14 0 1 A 4 4 GLU H H 4 8.499 8.060 0.439 1
1 30 . 14 0 1 A 4 4 GLU HA H 4 4.250 4.707 -0.457 1
1 33 . 14 0 1 A 4 4 GLU CA C 4 56.888 55.562 1.326 1
1 34 . 14 0 1 A 4 4 GLU CB C 4 29.316 32.314 -2.998 1
1 36 . 14 0 1 A 4 4 GLU N N 4 123.160 115.018 8.142 1
1 37 . 14 0 1 A 5 5 LEU H H 5 8.464 8.302 0.162 1
1 38 . 14 0 1 A 5 5 LEU HA H 5 4.004 4.943 -0.939 1
1 50 . 14 0 1 A 5 5 LEU N N 5 123.070 118.005 5.065 1
1 51 . 14 0 1 A 6 6 CYS H H 6 7.980 8.456 -0.476 1
1 52 . 14 0 1 A 6 6 CYS HA H 6 4.565 4.282 0.283 1
1 55 . 14 0 1 A 6 6 CYS N N 6 113.540 114.989 -1.449 1
1 56 . 14 0 1 A 7 7 THR H H 7 7.639 7.942 -0.303 1
1 57 . 14 0 1 A 7 7 THR HA H 7 4.344 4.148 0.196 1
1 62 . 14 0 1 A 7 7 THR CA C 7 61.772 64.281 -2.509 1
1 63 . 14 0 1 A 7 7 THR CB C 7 69.825 69.042 0.783 1
1 65 . 14 0 1 A 7 7 THR N N 7 108.740 114.050 -5.310 1
1 66 . 14 0 1 A 8 8 LYS H H 8 7.380 7.437 -0.057 1
1 67 . 14 0 1 A 8 8 LYS HA H 8 4.174 4.319 -0.145 1
1 72 . 14 0 1 A 8 8 LYS CA C 8 56.632 55.974 0.658 1
1 73 . 14 0 1 A 8 8 LYS CB C 8 34.166 32.419 1.747 1
1 75 . 14 0 1 A 8 8 LYS N N 8 122.500 117.787 4.713 1
1 76 . 14 0 1 A 9 9 GLY H H 9 8.554 7.901 0.653 1
1 77 . 14 0 1 A 9 9 GLY HA2 H 9 4.027 3.926 0.101 1
1 78 . 14 0 1 A 9 9 GLY HA3 H 9 3.868 3.927 -0.059 1
1 79 . 14 0 1 A 9 9 GLY CA C 9 45.101 45.482 -0.381 1
1 80 . 14 0 1 A 9 9 GLY N N 9 108.960 108.315 0.645 1
1 81 . 14 0 1 A 10 10 ASP H H 10 8.455 9.077 -0.622 1
1 82 . 14 0 1 A 10 10 ASP HA H 10 4.146 4.469 -0.323 1
1 84 . 14 0 1 A 10 10 ASP CA C 10 57.568 55.535 2.033 1
1 85 . 14 0 1 A 10 10 ASP CB C 10 38.723 40.130 -1.407 1
1 86 . 14 0 1 A 10 10 ASP N N 10 118.550 124.952 -6.402 1
1 87 . 14 0 1 A 11 11 ASP H H 11 8.538 8.193 0.345 1
1 88 . 14 0 1 A 11 11 ASP HA H 11 4.262 4.381 -0.119 1
1 90 . 14 0 1 A 11 11 ASP CA C 11 56.696 57.145 -0.449 1
1 91 . 14 0 1 A 11 11 ASP CB C 11 37.812 40.678 -2.866 1
1 92 . 14 0 1 A 11 11 ASP N N 11 118.150 121.601 -3.451 1
1 93 . 14 0 1 A 12 12 ALA H H 12 7.935 7.633 0.302 1
1 94 . 14 0 1 A 12 12 ALA HA H 12 4.052 4.106 -0.054 1
1 98 . 14 0 1 A 12 12 ALA CA C 12 55.104 54.990 0.114 1
1 99 . 14 0 1 A 12 12 ALA CB C 12 19.122 18.154 0.968 1
1 100 . 14 0 1 A 12 12 ALA N N 12 123.880 121.861 2.019 1
1 101 . 14 0 1 A 13 13 LEU H H 13 8.367 7.995 0.372 1
1 102 . 14 0 1 A 13 13 LEU HA H 13 4.524 4.128 0.396 1
1 104 . 14 0 1 A 13 13 LEU CA C 13 54.138 57.817 -3.679 1
1 105 . 14 0 1 A 13 13 LEU CB C 13 39.063 41.400 -2.337 1
1 106 . 14 0 1 A 13 13 LEU N N 13 120.800 119.565 1.235 1
1 107 . 14 0 1 A 14 14 VAL H H 14 8.127 8.690 -0.563 1
1 108 . 14 0 1 A 14 14 VAL HA H 14 3.354 3.529 -0.175 1
1 116 . 14 0 1 A 14 14 VAL CA C 14 67.895 66.512 1.383 1
1 117 . 14 0 1 A 14 14 VAL CB C 14 32.471 31.607 0.864 1
1 120 . 14 0 1 A 14 14 VAL N N 14 121.290 118.787 2.503 1
1 121 . 14 0 1 A 15 15 THR H H 15 7.813 8.001 -0.188 1
1 122 . 14 0 1 A 15 15 THR HA H 15 3.824 3.704 0.120 1
1 127 . 14 0 1 A 15 15 THR CA C 15 66.838 66.833 0.005 1
1 128 . 14 0 1 A 15 15 THR CB C 15 69.152 68.554 0.598 1
1 130 . 14 0 1 A 15 15 THR N N 15 115.770 117.000 -1.230 1
1 131 . 14 0 1 A 16 16 GLU H H 16 8.201 8.556 -0.355 1
1 132 . 14 0 1 A 16 16 GLU HA H 16 4.134 3.852 0.282 1
1 136 . 14 0 1 A 16 16 GLU CA C 16 60.219 59.209 1.010 1
1 137 . 14 0 1 A 16 16 GLU CB C 16 27.443 29.128 -1.685 1
1 139 . 14 0 1 A 16 16 GLU N N 16 123.330 119.482 3.848 1
1 140 . 14 0 1 A 17 17 LEU H H 17 8.637 7.996 0.641 1
1 141 . 14 0 1 A 17 17 LEU HA H 17 3.779 3.879 -0.100 1
1 145 . 14 0 1 A 17 17 LEU CA C 17 58.646 58.052 0.594 1
1 146 . 14 0 1 A 17 17 LEU CB C 17 41.289 41.428 -0.139 1
1 147 . 14 0 1 A 17 17 LEU N N 17 119.350 119.243 0.107 1
1 148 . 14 0 1 A 18 18 GLU H H 18 7.903 8.680 -0.777 1
1 149 . 14 0 1 A 18 18 GLU HA H 18 4.048 3.851 0.197 1
1 153 . 14 0 1 A 18 18 GLU CA C 18 59.140 59.612 -0.472 1
1 154 . 14 0 1 A 18 18 GLU CB C 18 27.587 28.720 -1.133 1
1 156 . 14 0 1 A 18 18 GLU N N 18 122.730 118.530 4.200 1
1 157 . 14 0 1 A 19 19 CYS H H 19 7.231 7.747 -0.516 1
1 158 . 14 0 1 A 19 19 CYS HA H 19 4.135 4.540 -0.405 1
1 161 . 14 0 1 A 19 19 CYS CA C 19 60.041 56.862 3.179 1
1 162 . 14 0 1 A 19 19 CYS CB C 19 39.419 42.395 -2.976 1
1 163 . 14 0 1 A 19 19 CYS N N 19 120.230 115.670 4.560 1
1 164 . 14 0 1 A 20 20 ILE H H 20 8.433 7.403 1.030 1
1 165 . 14 0 1 A 20 20 ILE HA H 20 3.288 3.967 -0.679 1
1 174 . 14 0 1 A 20 20 ILE CA C 20 66.135 62.779 3.356 1
1 175 . 14 0 1 A 20 20 ILE CB C 20 39.423 38.048 1.375 1
1 179 . 14 0 1 A 20 20 ILE N N 20 122.030 119.160 2.870 1
1 180 . 14 0 1 A 21 21 ARG H H 21 7.644 8.037 -0.393 1
1 181 . 14 0 1 A 21 21 ARG HA H 21 3.823 4.211 -0.388 1
1 183 . 14 0 1 A 21 21 ARG CA C 21 59.557 57.928 1.629 1
1 184 . 14 0 1 A 21 21 ARG CB C 21 30.680 30.372 0.308 1
1 187 . 14 0 1 A 21 21 ARG N N 21 119.330 122.415 -3.085 1
1 188 . 14 0 1 A 22 22 LEU H H 22 6.877 7.794 -0.917 1
1 189 . 14 0 1 A 22 22 LEU HA H 22 4.111 4.265 -0.154 1
1 199 . 14 0 1 A 22 22 LEU CA C 22 56.458 54.010 2.448 1
1 200 . 14 0 1 A 22 22 LEU CB C 22 42.824 41.100 1.724 1
1 204 . 14 0 1 A 22 22 LEU N N 22 114.780 115.056 -0.276 1
1 205 . 14 0 1 A 23 23 ARG H H 23 7.570 8.330 -0.760 1
1 206 . 14 0 1 A 23 23 ARG HA H 23 4.384 3.931 0.453 1
1 212 . 14 0 1 A 23 23 ARG CA C 23 56.733 58.080 -1.347 1
1 213 . 14 0 1 A 23 23 ARG CB C 23 33.160 28.085 5.075 1
1 216 . 14 0 1 A 23 23 ARG N N 23 117.100 113.492 3.608 1
1 218 . 14 0 1 A 24 24 ILE H H 24 7.041 8.584 -1.543 1
1 219 . 14 0 1 A 24 24 ILE HA H 24 4.653 3.876 0.777 1
1 229 . 14 0 1 A 24 24 ILE CA C 24 60.889 63.785 -2.896 1
1 230 . 14 0 1 A 24 24 ILE CB C 24 40.480 36.615 3.865 1
1 234 . 14 0 1 A 24 24 ILE N N 24 112.510 117.469 -4.959 1
1 235 . 14 0 1 A 25 25 SER H H 25 8.441 8.420 0.021 1
1 236 . 14 0 1 A 25 25 SER HA H 25 4.572 4.729 -0.157 1
1 239 . 14 0 1 A 25 25 SER CA C 25 58.047 59.426 -1.379 1
1 240 . 14 0 1 A 25 25 SER CB C 25 63.703 65.142 -1.439 1
1 241 . 14 0 1 A 25 25 SER N N 25 116.820 119.182 -2.362 1
1 242 . 14 0 1 A 26 26 PRO HA H 26 4.457 4.530 -0.073 1
1 248 . 14 0 1 A 26 26 PRO CA C 26 66.703 62.022 4.681 1
1 249 . 14 0 1 A 26 26 PRO CB C 26 32.374 33.075 -0.701 1
1 252 . 14 0 1 A 27 27 GLU H H 27 8.543 8.656 -0.113 1
1 253 . 14 0 1 A 27 27 GLU HA H 27 4.170 4.098 0.072 1
1 257 . 14 0 1 A 27 27 GLU CA C 27 60.003 59.124 0.879 1
1 258 . 14 0 1 A 27 27 GLU CB C 27 27.944 28.879 -0.935 1
1 260 . 14 0 1 A 27 27 GLU N N 27 117.750 120.386 -2.636 1
1 261 . 14 0 1 A 28 28 THR H H 28 8.099 7.879 0.220 1
1 262 . 14 0 1 A 28 28 THR HA H 28 4.178 3.471 0.707 1
1 267 . 14 0 1 A 28 28 THR CA C 28 67.201 65.917 1.284 1
1 268 . 14 0 1 A 28 28 THR CB C 28 67.314 69.397 -2.083 1
1 270 . 14 0 1 A 28 28 THR N N 28 122.040 115.476 6.564 1
1 271 . 14 0 1 A 29 29 ASN H H 29 8.621 8.071 0.550 1
1 272 . 14 0 1 A 29 29 ASN HA H 29 4.522 4.470 0.052 1
1 276 . 14 0 1 A 29 29 ASN CA C 29 58.319 56.300 2.019 1
1 277 . 14 0 1 A 29 29 ASN CB C 29 39.553 38.332 1.221 1
1 278 . 14 0 1 A 29 29 ASN N N 29 122.850 118.366 4.484 1
1 280 . 14 0 1 A 30 30 ALA H H 30 8.185 8.041 0.144 1
1 281 . 14 0 1 A 30 30 ALA HA H 30 4.141 3.943 0.198 1
1 285 . 14 0 1 A 30 30 ALA CA C 30 55.716 54.788 0.928 1
1 286 . 14 0 1 A 30 30 ALA CB C 30 17.815 18.337 -0.522 1
1 287 . 14 0 1 A 30 30 ALA N N 30 123.330 122.200 1.130 1
1 288 . 14 0 1 A 31 31 ALA H H 31 7.852 8.064 -0.212 1
1 289 . 14 0 1 A 31 31 ALA HA H 31 4.182 3.626 0.556 1
1 293 . 14 0 1 A 31 31 ALA CA C 31 55.395 54.436 0.959 1
1 294 . 14 0 1 A 31 31 ALA CB C 31 18.712 17.980 0.732 1
1 295 . 14 0 1 A 31 31 ALA N N 31 122.920 119.636 3.284 1
1 296 . 14 0 1 A 32 32 PHE H H 32 8.497 7.140 1.357 1
1 297 . 14 0 1 A 32 32 PHE HA H 32 4.300 4.276 0.024 1
1 303 . 14 0 1 A 32 32 PHE CA C 32 59.972 61.070 -1.098 1
1 304 . 14 0 1 A 32 32 PHE CB C 32 39.152 37.842 1.310 1
1 308 . 14 0 1 A 32 32 PHE N N 32 123.980 115.937 8.043 1
1 309 . 14 0 1 A 33 33 ASP H H 33 8.380 8.031 0.349 1
1 310 . 14 0 1 A 33 33 ASP HA H 33 4.298 4.367 -0.069 1
1 313 . 14 0 1 A 33 33 ASP CA C 33 57.394 57.659 -0.265 1
1 314 . 14 0 1 A 33 33 ASP CB C 33 38.380 41.134 -2.754 1
1 315 . 14 0 1 A 33 33 ASP N N 33 119.640 121.251 -1.611 1
1 316 . 14 0 1 A 34 34 ASN H H 34 7.854 8.107 -0.253 1
1 317 . 14 0 1 A 34 34 ASN HA H 34 4.410 4.478 -0.068 1
1 321 . 14 0 1 A 34 34 ASN CA C 34 56.974 55.401 1.573 1
1 322 . 14 0 1 A 34 34 ASN CB C 34 38.740 37.389 1.351 1
1 323 . 14 0 1 A 34 34 ASN N N 34 119.710 116.220 3.490 1
1 325 . 14 0 1 A 35 35 ALA H H 35 7.743 8.234 -0.491 1
1 326 . 14 0 1 A 35 35 ALA HA H 35 2.999 4.081 -1.082 1
1 330 . 14 0 1 A 35 35 ALA CA C 35 55.881 55.131 0.750 1
1 331 . 14 0 1 A 35 35 ALA CB C 35 17.360 18.934 -1.574 1
1 332 . 14 0 1 A 35 35 ALA N N 35 123.520 122.499 1.021 1
1 333 . 14 0 1 A 36 36 VAL H H 36 7.802 8.832 -1.030 1
1 334 . 14 0 1 A 36 36 VAL HA H 36 2.973 3.545 -0.572 1
1 342 . 14 0 1 A 36 36 VAL CA C 36 67.829 66.421 1.408 1
1 343 . 14 0 1 A 36 36 VAL CB C 36 32.410 31.235 1.175 1
1 346 . 14 0 1 A 36 36 VAL N N 36 115.430 117.826 -2.396 1
1 347 . 14 0 1 A 37 37 GLN H H 37 7.027 7.936 -0.909 1
1 348 . 14 0 1 A 37 37 GLN HA H 37 4.093 3.982 0.111 1
1 353 . 14 0 1 A 37 37 GLN CA C 37 59.039 59.322 -0.283 1
1 354 . 14 0 1 A 37 37 GLN CB C 37 28.910 28.131 0.779 1
1 356 . 14 0 1 A 37 37 GLN N N 37 116.140 120.688 -4.548 1
1 358 . 14 0 1 A 38 38 GLN H H 38 8.443 7.792 0.651 1
1 359 . 14 0 1 A 38 38 GLN HA H 38 3.939 3.977 -0.038 1
1 365 . 14 0 1 A 38 38 GLN CA C 38 58.748 59.033 -0.285 1
1 366 . 14 0 1 A 38 38 GLN CB C 38 28.854 28.535 0.319 1
1 368 . 14 0 1 A 38 38 GLN N N 38 120.080 118.774 1.306 1
1 370 . 14 0 1 A 39 39 LEU H H 39 7.565 7.668 -0.103 1
1 371 . 14 0 1 A 39 39 LEU HA H 39 4.199 4.130 0.069 1
1 380 . 14 0 1 A 39 39 LEU CA C 39 54.901 56.880 -1.979 1
1 381 . 14 0 1 A 39 39 LEU CB C 39 42.208 41.460 0.748 1
1 383 . 14 0 1 A 39 39 LEU N N 39 117.930 119.315 -1.385 1
1 384 . 14 0 1 A 40 40 ASN H H 40 7.976 8.370 -0.394 1
1 385 . 14 0 1 A 40 40 ASN HA H 40 4.313 4.249 0.064 1
1 389 . 14 0 1 A 40 40 ASN CA C 40 54.625 54.319 0.306 1
1 390 . 14 0 1 A 40 40 ASN CB C 40 36.903 36.930 -0.027 1
1 391 . 14 0 1 A 40 40 ASN N N 40 118.780 116.931 1.849 1
1 393 . 14 0 1 A 41 41 CYS H H 41 7.833 7.680 0.153 1
1 394 . 14 0 1 A 41 41 CYS HA H 41 4.888 4.841 0.047 1
1 397 . 14 0 1 A 41 41 CYS CA C 41 55.148 55.553 -0.405 1
1 398 . 14 0 1 A 41 41 CYS CB C 41 42.078 44.598 -2.520 1
1 399 . 14 0 1 A 41 41 CYS N N 41 115.600 117.815 -2.215 1
1 400 . 14 0 1 A 42 42 LEU H H 42 8.371 8.798 -0.427 1
1 401 . 14 0 1 A 42 42 LEU HA H 42 4.340 4.352 -0.012 1
1 410 . 14 0 1 A 42 42 LEU CA C 42 55.342 56.099 -0.757 1
1 411 . 14 0 1 A 42 42 LEU CB C 42 43.358 42.738 0.620 1
1 415 . 14 0 1 A 42 42 LEU N N 42 116.770 122.895 -6.125 1
1 416 . 14 0 1 A 43 43 ASN H H 43 7.025 7.871 -0.846 1
1 417 . 14 0 1 A 43 43 ASN HA H 43 4.767 4.773 -0.006 1
1 422 . 14 0 1 A 43 43 ASN CA C 43 51.715 52.534 -0.819 1
1 423 . 14 0 1 A 43 43 ASN CB C 43 41.011 39.646 1.365 1
1 424 . 14 0 1 A 43 43 ASN N N 43 111.360 116.018 -4.658 1
1 426 . 14 0 1 A 44 44 ARG H H 44 8.735 9.170 -0.435 1
1 427 . 14 0 1 A 44 44 ARG HA H 44 3.868 4.221 -0.353 1
1 431 . 14 0 1 A 44 44 ARG CA C 44 60.307 58.429 1.878 1
1 432 . 14 0 1 A 44 44 ARG CB C 44 30.895 30.085 0.810 1
1 433 . 14 0 1 A 44 44 ARG N N 44 118.870 121.345 -2.475 1
1 434 . 14 0 1 A 45 45 ALA H H 45 8.381 8.154 0.227 1
1 435 . 14 0 1 A 45 45 ALA HA H 45 3.814 4.037 -0.223 1
1 439 . 14 0 1 A 45 45 ALA CA C 45 56.384 54.826 1.558 1
1 440 . 14 0 1 A 45 45 ALA CB C 45 17.800 18.130 -0.330 1
1 441 . 14 0 1 A 45 45 ALA N N 45 125.360 120.942 4.418 1
1 442 . 14 0 1 A 46 46 CYS H H 46 8.027 7.807 0.220 1
1 443 . 14 0 1 A 46 46 CYS HA H 46 4.168 4.343 -0.175 1
1 446 . 14 0 1 A 46 46 CYS CA C 46 59.006 58.179 0.827 1
1 447 . 14 0 1 A 46 46 CYS CB C 46 33.410 41.864 -8.454 1
1 448 . 14 0 1 A 46 46 CYS N N 46 117.400 116.913 0.487 1
1 449 . 14 0 1 A 47 47 ALA H H 47 7.144 8.234 -1.090 1
1 450 . 14 0 1 A 47 47 ALA HA H 47 3.837 3.971 -0.134 1
1 454 . 14 0 1 A 47 47 ALA CA C 47 55.130 55.138 -0.008 1
1 455 . 14 0 1 A 47 47 ALA CB C 47 19.618 18.483 1.135 1
1 456 . 14 0 1 A 47 47 ALA N N 47 123.130 122.598 0.532 1
1 457 . 14 0 1 A 48 48 TYR H H 48 8.841 7.768 1.073 1
1 458 . 14 0 1 A 48 48 TYR HA H 48 3.896 4.329 -0.433 1
1 462 . 14 0 1 A 48 48 TYR CA C 48 63.769 60.583 3.186 1
1 463 . 14 0 1 A 48 48 TYR CB C 48 40.446 36.939 3.507 1
1 466 . 14 0 1 A 48 48 TYR N N 48 120.860 115.825 5.035 1
1 467 . 14 0 1 A 49 49 ARG H H 49 8.501 8.008 0.493 1
1 468 . 14 0 1 A 49 49 ARG HA H 49 3.840 4.024 -0.184 1
1 470 . 14 0 1 A 49 49 ARG CA C 49 60.324 59.617 0.707 1
1 471 . 14 0 1 A 49 49 ARG CB C 49 29.890 30.166 -0.276 1
1 472 . 14 0 1 A 49 49 ARG N N 49 117.110 121.212 -4.102 1
1 473 . 14 0 1 A 50 50 LYS H H 50 7.817 7.632 0.185 1
1 474 . 14 0 1 A 50 50 LYS HA H 50 3.965 4.012 -0.047 1
1 477 . 14 0 1 A 50 50 LYS CA C 50 61.111 59.407 1.704 1
1 478 . 14 0 1 A 50 50 LYS CB C 50 33.272 32.367 0.905 1
1 479 . 14 0 1 A 50 50 LYS N N 50 119.510 120.412 -0.902 1
1 480 . 14 0 1 A 51 51 MET H H 51 7.934 8.073 -0.139 1
1 481 . 14 0 1 A 51 51 MET HA H 51 4.199 4.120 0.079 1
1 484 . 14 0 1 A 51 51 MET CA C 51 60.407 58.633 1.774 1
1 485 . 14 0 1 A 51 51 MET CB C 51 33.492 31.915 1.577 1
1 487 . 14 0 1 A 51 51 MET N N 51 119.740 117.375 2.365 1
1 488 . 14 0 1 A 52 52 CYS H H 52 8.545 7.763 0.782 1
1 489 . 14 0 1 A 52 52 CYS HA H 52 4.018 4.530 -0.512 1
1 492 . 14 0 1 A 52 52 CYS CA C 52 60.109 57.320 2.789 1
1 493 . 14 0 1 A 52 52 CYS CB C 52 40.790 42.968 -2.178 1
1 494 . 14 0 1 A 52 52 CYS N N 52 119.160 117.646 1.514 1
1 495 . 14 0 1 A 53 53 ALA H H 53 7.626 8.543 -0.917 1
1 496 . 14 0 1 A 53 53 ALA HA H 53 4.182 4.678 -0.496 1
1 500 . 14 0 1 A 53 53 ALA CA C 53 54.149 53.186 0.963 1
1 501 . 14 0 1 A 53 53 ALA CB C 53 18.492 20.605 -2.113 1
1 502 . 14 0 1 A 53 53 ALA N N 53 122.360 121.060 1.300 1
1 503 . 14 0 1 A 54 54 THR H H 54 7.041 7.631 -0.590 1
1 504 . 14 0 1 A 54 54 THR HA H 54 4.180 4.618 -0.438 1
1 509 . 14 0 1 A 54 54 THR CA C 54 63.143 63.146 -0.003 1
1 510 . 14 0 1 A 54 54 THR CB C 54 71.301 69.744 1.557 1
1 512 . 14 0 1 A 54 54 THR N N 54 107.780 109.136 -1.356 1
1 513 . 14 0 1 A 55 55 ASN H H 55 8.071 7.750 0.321 1
1 514 . 14 0 1 A 55 55 ASN HA H 55 4.409 5.609 -1.200 1
1 518 . 14 0 1 A 55 55 ASN CA C 55 55.475 52.492 2.983 1
1 519 . 14 0 1 A 55 55 ASN CB C 55 38.226 42.369 -4.143 1
1 520 . 14 0 1 A 55 55 ASN N N 55 114.220 117.978 -3.758 1
1 522 . 14 0 1 A 56 56 ASN H H 56 7.751 8.718 -0.967 1
1 523 . 14 0 1 A 56 56 ASN HA H 56 4.598 4.845 -0.247 1
1 528 . 14 0 1 A 56 56 ASN CA C 56 53.301 54.366 -1.065 1
1 529 . 14 0 1 A 56 56 ASN CB C 56 38.408 39.055 -0.647 1
1 530 . 14 0 1 A 56 56 ASN N N 56 117.400 118.796 -1.396 1
1 532 . 14 0 1 A 57 57 LEU H H 57 8.623 8.397 0.226 1
1 533 . 14 0 1 A 57 57 LEU HA H 57 3.783 4.028 -0.245 1
1 536 . 14 0 1 A 57 57 LEU CA C 57 58.796 57.566 1.230 1
1 537 . 14 0 1 A 57 57 LEU CB C 57 42.709 41.276 1.433 1
1 538 . 14 0 1 A 57 57 LEU N N 57 127.190 119.044 8.146 1
1 539 . 14 0 1 A 58 58 GLU H H 58 8.353 8.352 0.001 1
1 540 . 14 0 1 A 58 58 GLU HA H 58 3.792 4.149 -0.357 1
1 543 . 14 0 1 A 58 58 GLU CA C 58 60.263 59.375 0.888 1
1 544 . 14 0 1 A 58 58 GLU CB C 58 27.565 29.386 -1.821 1
1 546 . 14 0 1 A 58 58 GLU N N 58 117.370 121.139 -3.769 1
1 547 . 14 0 1 A 59 59 GLN H H 59 7.434 8.079 -0.645 1
1 548 . 14 0 1 A 59 59 GLN HA H 59 3.850 4.008 -0.158 1
1 553 . 14 0 1 A 59 59 GLN CA C 59 58.858 58.782 0.076 1
1 554 . 14 0 1 A 59 59 GLN CB C 59 28.858 28.840 0.018 1
1 556 . 14 0 1 A 59 59 GLN N N 59 119.730 119.195 0.535 1
1 558 . 14 0 1 A 60 60 ALA H H 60 8.043 7.828 0.215 1
1 559 . 14 0 1 A 60 60 ALA HA H 60 4.090 4.060 0.030 1
1 563 . 14 0 1 A 60 60 ALA CA C 60 55.496 55.284 0.212 1
1 564 . 14 0 1 A 60 60 ALA CB C 60 19.168 18.488 0.680 1
1 565 . 14 0 1 A 60 60 ALA N N 60 124.010 121.035 2.975 1
1 566 . 14 0 1 A 61 61 MET H H 61 8.690 8.491 0.199 1
1 567 . 14 0 1 A 61 61 MET HA H 61 4.240 3.799 0.441 1
1 571 . 14 0 1 A 61 61 MET CA C 61 59.964 57.998 1.966 1
1 572 . 14 0 1 A 61 61 MET CB C 61 34.709 32.179 2.530 1
1 574 . 14 0 1 A 61 61 MET N N 61 114.840 117.202 -2.362 1
1 575 . 14 0 1 A 62 62 SER H H 62 7.697 8.273 -0.576 1
1 576 . 14 0 1 A 62 62 SER HA H 62 4.527 3.837 0.690 1
1 579 . 14 0 1 A 62 62 SER CA C 62 61.590 61.360 0.230 1
1 580 . 14 0 1 A 62 62 SER CB C 62 63.726 62.520 1.206 1
1 581 . 14 0 1 A 62 62 SER N N 62 115.290 114.431 0.859 1
1 582 . 14 0 1 A 63 63 VAL H H 63 6.876 7.686 -0.810 1
1 583 . 14 0 1 A 63 63 VAL HA H 63 3.366 3.539 -0.173 1
1 591 . 14 0 1 A 63 63 VAL CA C 63 65.247 66.474 -1.227 1
1 592 . 14 0 1 A 63 63 VAL CB C 63 32.621 31.515 1.106 1
1 595 . 14 0 1 A 63 63 VAL N N 63 120.720 122.592 -1.872 1
1 596 . 14 0 1 A 64 64 TYR H H 64 6.677 7.483 -0.806 1
1 597 . 14 0 1 A 64 64 TYR HA H 64 4.274 4.280 -0.006 1
1 602 . 14 0 1 A 64 64 TYR CA C 64 57.735 60.189 -2.454 1
1 603 . 14 0 1 A 64 64 TYR CB C 64 42.007 38.970 3.037 1
1 606 . 14 0 1 A 64 64 TYR N N 64 115.320 118.822 -3.502 1
1 607 . 14 0 1 A 65 65 PHE H H 65 8.052 7.682 0.370 1
1 608 . 14 0 1 A 65 65 PHE HA H 65 5.160 5.111 0.049 1
1 614 . 14 0 1 A 65 65 PHE CA C 65 56.486 55.198 1.288 1
1 615 . 14 0 1 A 65 65 PHE CB C 65 43.296 41.673 1.623 1
1 619 . 14 0 1 A 65 65 PHE N N 65 117.410 116.781 0.629 1
1 620 . 14 0 1 A 66 66 THR H H 66 8.302 8.937 -0.635 1
1 621 . 14 0 1 A 66 66 THR HA H 66 4.657 4.828 -0.171 1
1 626 . 14 0 1 A 66 66 THR CA C 66 60.932 60.403 0.529 1
1 627 . 14 0 1 A 66 66 THR CB C 66 71.138 71.747 -0.609 1
1 629 . 14 0 1 A 66 66 THR N N 66 111.430 113.014 -1.584 1
1 630 . 14 0 1 A 67 67 ASN H H 67 9.025 9.224 -0.199 1
1 631 . 14 0 1 A 67 67 ASN HA H 67 4.223 4.497 -0.274 1
1 636 . 14 0 1 A 67 67 ASN CA C 67 57.459 55.987 1.472 1
1 637 . 14 0 1 A 67 67 ASN CB C 67 38.180 37.451 0.729 1
1 638 . 14 0 1 A 67 67 ASN N N 67 120.120 119.331 0.789 1
1 640 . 14 0 1 A 68 68 GLU H H 68 8.403 8.256 0.147 1
1 641 . 14 0 1 A 68 68 GLU HA H 68 3.956 4.073 -0.117 1
1 645 . 14 0 1 A 68 68 GLU CA C 68 59.700 59.360 0.340 1
1 646 . 14 0 1 A 68 68 GLU CB C 68 28.105 29.563 -1.458 1
1 648 . 14 0 1 A 68 68 GLU N N 68 120.220 120.619 -0.399 1
1 649 . 14 0 1 A 69 69 GLN H H 69 7.411 7.781 -0.370 1
1 650 . 14 0 1 A 69 69 GLN HA H 69 3.822 3.901 -0.079 1
1 657 . 14 0 1 A 69 69 GLN CA C 69 58.952 59.030 -0.078 1
1 658 . 14 0 1 A 69 69 GLN CB C 69 28.418 28.183 0.235 1
1 659 . 14 0 1 A 69 69 GLN N N 69 120.940 118.481 2.459 1
1 661 . 14 0 1 A 70 70 ILE H H 70 8.327 7.754 0.573 1
1 662 . 14 0 1 A 70 70 ILE HA H 70 3.036 3.681 -0.645 1
1 671 . 14 0 1 A 70 70 ILE CA C 70 66.926 62.326 4.600 1
1 672 . 14 0 1 A 70 70 ILE CB C 70 38.603 37.833 0.770 1
1 676 . 14 0 1 A 70 70 ILE N N 70 120.560 119.430 1.130 1
1 677 . 14 0 1 A 71 71 LYS H H 71 7.554 7.834 -0.280 1
1 678 . 14 0 1 A 71 71 LYS HA H 71 3.909 3.742 0.167 1
1 681 . 14 0 1 A 71 71 LYS CA C 71 60.156 60.302 -0.146 1
1 682 . 14 0 1 A 71 71 LYS CB C 71 32.294 32.438 -0.144 1
1 683 . 14 0 1 A 71 71 LYS N N 71 121.040 121.528 -0.488 1
1 684 . 14 0 1 A 72 72 GLU H H 72 7.885 7.780 0.105 1
1 685 . 14 0 1 A 72 72 GLU HA H 72 3.989 4.111 -0.122 1
1 688 . 14 0 1 A 72 72 GLU CA C 72 60.266 59.010 1.256 1
1 689 . 14 0 1 A 72 72 GLU CB C 72 30.213 29.412 0.801 1
1 691 . 14 0 1 A 72 72 GLU N N 72 119.670 119.696 -0.026 1
1 692 . 14 0 1 A 73 73 ILE H H 73 8.193 8.177 0.016 1
1 693 . 14 0 1 A 73 73 ILE HA H 73 3.312 3.782 -0.470 1
1 703 . 14 0 1 A 73 73 ILE CA C 73 66.520 64.930 1.590 1
1 704 . 14 0 1 A 73 73 ILE CB C 73 38.344 37.403 0.941 1
1 708 . 14 0 1 A 73 73 ILE N N 73 121.390 119.857 1.533 1
1 709 . 14 0 1 A 74 74 HIS H H 74 8.624 8.187 0.437 1
1 710 . 14 0 1 A 74 74 HIS HA H 74 4.174 4.501 -0.327 1
1 714 . 14 0 1 A 74 74 HIS CA C 74 59.179 60.427 -1.248 1
1 715 . 14 0 1 A 74 74 HIS CB C 74 28.498 29.782 -1.284 1
1 718 . 14 0 1 A 74 74 HIS N N 74 119.430 120.822 -1.392 1
1 719 . 14 0 1 A 75 75 ASP H H 75 8.824 8.356 0.468 1
1 720 . 14 0 1 A 75 75 ASP HA H 75 4.276 4.321 -0.045 1
1 722 . 14 0 1 A 75 75 ASP CA C 75 56.474 57.274 -0.800 1
1 723 . 14 0 1 A 75 75 ASP CB C 75 38.100 40.986 -2.886 1
1 724 . 14 0 1 A 75 75 ASP N N 75 119.980 119.449 0.531 1
1 725 . 14 0 1 A 76 76 ALA H H 76 8.064 9.120 -1.056 1
1 726 . 14 0 1 A 76 76 ALA HA H 76 4.012 4.005 0.007 1
1 730 . 14 0 1 A 76 76 ALA CA C 76 54.988 55.157 -0.169 1
1 731 . 14 0 1 A 76 76 ALA CB C 76 20.747 18.039 2.708 1
1 732 . 14 0 1 A 76 76 ALA N N 76 125.030 120.850 4.180 1
1 733 . 14 0 1 A 77 77 ALA H H 77 8.659 8.605 0.054 1
1 734 . 14 0 1 A 77 77 ALA HA H 77 3.613 4.208 -0.595 1
1 738 . 14 0 1 A 77 77 ALA CA C 77 55.772 54.481 1.291 1
1 739 . 14 0 1 A 77 77 ALA CB C 77 18.217 18.479 -0.262 1
1 740 . 14 0 1 A 77 77 ALA N N 77 122.060 120.435 1.625 1
1 741 . 14 0 1 A 78 78 THR H H 78 7.651 7.326 0.325 1
1 742 . 14 0 1 A 78 78 THR HA H 78 3.762 3.819 -0.057 1
1 747 . 14 0 1 A 78 78 THR CA C 78 66.360 65.526 0.834 1
1 748 . 14 0 1 A 78 78 THR CB C 78 68.873 69.007 -0.134 1
1 750 . 14 0 1 A 78 78 THR N N 78 113.580 113.091 0.489 1
1 751 . 14 0 1 A 79 79 ALA H H 79 7.291 7.884 -0.593 1
1 752 . 14 0 1 A 79 79 ALA HA H 79 4.022 4.208 -0.186 1
1 756 . 14 0 1 A 79 79 ALA CA C 79 54.713 51.605 3.108 1
1 757 . 14 0 1 A 79 79 ALA CB C 79 18.695 18.637 0.058 1
1 758 . 14 0 1 A 79 79 ALA N N 79 123.330 118.666 4.664 1
1 759 . 14 0 1 A 80 80 CYS H H 80 7.781 7.982 -0.201 1
1 760 . 14 0 1 A 80 80 CYS HA H 80 4.295 5.462 -1.167 1
1 762 . 14 0 1 A 80 80 CYS CA C 80 57.577 57.170 0.407 1
1 763 . 14 0 1 A 80 80 CYS CB C 80 43.192 39.969 3.223 1
1 764 . 14 0 1 A 80 80 CYS N N 80 115.190 114.931 0.259 1
1 765 . 14 0 1 A 81 81 ASP H H 81 7.323 7.547 -0.224 1
1 766 . 14 0 1 A 81 81 ASP HA H 81 4.743 4.436 0.307 1
1 769 . 14 0 1 A 81 81 ASP CA C 81 52.419 57.183 -4.764 1
1 770 . 14 0 1 A 81 81 ASP CB C 81 40.376 40.826 -0.450 1
1 771 . 14 0 1 A 81 81 ASP N N 81 121.570 122.588 -1.018 1
1 772 . 14 0 1 A 82 82 PRO HA H 82 4.312 4.336 -0.024 1
1 777 . 14 0 1 A 82 82 PRO CA C 82 64.427 64.447 -0.020 1
1 778 . 14 0 1 A 82 82 PRO CB C 82 32.685 31.469 1.216 1
1 780 . 14 0 1 A 83 83 GLU H H 83 8.036 7.956 0.080 1
1 781 . 14 0 1 A 83 83 GLU HA H 83 4.126 4.412 -0.286 1
1 785 . 14 0 1 A 83 83 GLU CA C 83 56.523 56.367 0.156 1
1 786 . 14 0 1 A 83 83 GLU CB C 83 28.819 30.419 -1.600 1
1 788 . 14 0 1 A 83 83 GLU N N 83 118.550 116.726 1.824 1
1 789 . 14 0 1 A 84 84 ALA H H 84 7.695 8.283 -0.588 1
1 790 . 14 0 1 A 84 84 ALA HA H 84 4.083 4.456 -0.373 1
1 794 . 14 0 1 A 84 84 ALA CA C 84 52.963 50.467 2.496 1
1 795 . 14 0 1 A 84 84 ALA CB C 84 19.516 21.286 -1.770 1
1 796 . 14 0 1 A 84 84 ALA N N 84 123.730 122.276 1.454 1
1 797 . 14 0 1 A 85 85 HIS H H 85 8.078 8.442 -0.364 1
1 798 . 14 0 1 A 85 85 HIS HA H 85 4.529 4.813 -0.284 1
1 803 . 14 0 1 A 85 85 HIS CA C 85 55.480 55.129 0.351 1
1 804 . 14 0 1 A 85 85 HIS CB C 85 29.115 29.448 -0.333 1
1 807 . 14 0 1 A 85 85 HIS N N 85 117.030 116.047 0.983 1
1 808 . 14 0 1 A 86 86 HIS H H 86 8.352 7.663 0.689 1
1 809 . 14 0 1 A 86 86 HIS HA H 86 4.596 4.826 -0.230 1
1 814 . 14 0 1 A 86 86 HIS CA C 86 55.496 53.890 1.606 1
1 815 . 14 0 1 A 86 86 HIS CB C 86 29.414 30.099 -0.685 1
1 818 . 14 0 1 A 86 86 HIS N N 86 120.170 117.922 2.248 1
1 819 . 14 0 1 A 87 87 GLU H H 87 8.300 8.386 -0.086 1
1 820 . 14 0 1 A 87 87 GLU HA H 87 4.194 4.409 -0.215 1
1 823 . 14 0 1 A 87 87 GLU CA C 87 56.264 56.366 -0.102 1
1 824 . 14 0 1 A 87 87 GLU CB C 87 29.329 28.748 0.581 1
1 826 . 14 0 1 A 87 87 GLU N N 87 121.850 122.713 -0.863 1
1 827 . 14 0 1 A 88 88 HIS H H 88 8.524 8.464 0.060 1
1 828 . 14 0 1 A 88 88 HIS HA H 88 4.597 4.258 0.339 1
1 832 . 14 0 1 A 88 88 HIS CA C 88 55.621 56.865 -1.244 1
1 833 . 14 0 1 A 88 88 HIS CB C 88 29.150 28.068 1.082 1
1 836 . 14 0 1 A 88 88 HIS N N 88 119.750 119.316 0.434 1
1 837 . 14 0 1 A 89 89 ASP H H 89 8.343 7.947 0.396 1
1 838 . 14 0 1 A 89 89 ASP HA H 89 4.579 4.164 0.415 1
1 840 . 14 0 1 A 89 89 ASP CA C 89 53.805 55.571 -1.766 1
1 841 . 14 0 1 A 89 89 ASP CB C 89 38.560 40.037 -1.477 1
1 842 . 14 0 1 A 89 89 ASP N N 89 120.950 125.862 -4.912 1
1 9 . 15 0 1 A 2 2 HIS H H 2 8.902 9.054 -0.152 1
1 10 . 15 0 1 A 2 2 HIS HA H 2 4.665 4.484 0.181 1
1 14 . 15 0 1 A 2 2 HIS CA C 2 55.744 57.755 -2.011 1
1 15 . 15 0 1 A 2 2 HIS CB C 2 29.481 29.588 -0.107 1
1 18 . 15 0 1 A 2 2 HIS N N 2 122.160 119.002 3.158 1
1 19 . 15 0 1 A 3 3 GLN H H 3 8.624 8.634 -0.010 1
1 20 . 15 0 1 A 3 3 GLN HA H 3 4.265 3.985 0.280 1
1 24 . 15 0 1 A 3 3 GLN CA C 3 55.961 59.152 -3.191 1
1 25 . 15 0 1 A 3 3 GLN CB C 3 29.727 28.839 0.888 1
1 27 . 15 0 1 A 3 3 GLN N N 3 123.710 117.936 5.774 1
1 29 . 15 0 1 A 4 4 GLU H H 4 8.499 7.719 0.780 1
1 30 . 15 0 1 A 4 4 GLU HA H 4 4.250 4.583 -0.333 1
1 33 . 15 0 1 A 4 4 GLU CA C 4 56.888 55.177 1.711 1
1 34 . 15 0 1 A 4 4 GLU CB C 4 29.316 28.213 1.103 1
1 36 . 15 0 1 A 4 4 GLU N N 4 123.160 118.620 4.540 1
1 37 . 15 0 1 A 5 5 LEU H H 5 8.464 8.088 0.376 1
1 38 . 15 0 1 A 5 5 LEU HA H 5 4.004 4.371 -0.367 1
1 50 . 15 0 1 A 5 5 LEU N N 5 123.070 121.333 1.737 1
1 51 . 15 0 1 A 6 6 CYS H H 6 7.980 8.074 -0.094 1
1 52 . 15 0 1 A 6 6 CYS HA H 6 4.565 4.291 0.274 1
1 55 . 15 0 1 A 6 6 CYS N N 6 113.540 113.041 0.499 1
1 56 . 15 0 1 A 7 7 THR H H 7 7.639 8.153 -0.514 1
1 57 . 15 0 1 A 7 7 THR HA H 7 4.344 4.518 -0.174 1
1 62 . 15 0 1 A 7 7 THR CA C 7 61.772 63.107 -1.335 1
1 63 . 15 0 1 A 7 7 THR CB C 7 69.825 71.154 -1.329 1
1 65 . 15 0 1 A 7 7 THR N N 7 108.740 111.760 -3.020 1
1 66 . 15 0 1 A 8 8 LYS H H 8 7.380 7.850 -0.470 1
1 67 . 15 0 1 A 8 8 LYS HA H 8 4.174 4.501 -0.327 1
1 72 . 15 0 1 A 8 8 LYS CA C 8 56.632 54.884 1.748 1
1 73 . 15 0 1 A 8 8 LYS CB C 8 34.166 35.018 -0.852 1
1 75 . 15 0 1 A 8 8 LYS N N 8 122.500 118.535 3.965 1
1 76 . 15 0 1 A 9 9 GLY H H 9 8.554 9.018 -0.464 1
1 77 . 15 0 1 A 9 9 GLY HA2 H 9 4.027 3.975 0.052 1
1 78 . 15 0 1 A 9 9 GLY HA3 H 9 3.868 3.977 -0.109 1
1 79 . 15 0 1 A 9 9 GLY CA C 9 45.101 46.578 -1.477 1
1 80 . 15 0 1 A 9 9 GLY N N 9 108.960 111.350 -2.390 1
1 81 . 15 0 1 A 10 10 ASP H H 10 8.455 8.142 0.313 1
1 82 . 15 0 1 A 10 10 ASP HA H 10 4.146 4.312 -0.166 1
1 84 . 15 0 1 A 10 10 ASP CA C 10 57.568 56.640 0.928 1
1 85 . 15 0 1 A 10 10 ASP CB C 10 38.723 39.565 -0.842 1
1 86 . 15 0 1 A 10 10 ASP N N 10 118.550 120.330 -1.780 1
1 87 . 15 0 1 A 11 11 ASP H H 11 8.538 8.298 0.240 1
1 88 . 15 0 1 A 11 11 ASP HA H 11 4.262 4.313 -0.051 1
1 90 . 15 0 1 A 11 11 ASP CA C 11 56.696 57.189 -0.493 1
1 91 . 15 0 1 A 11 11 ASP CB C 11 37.812 40.200 -2.388 1
1 92 . 15 0 1 A 11 11 ASP N N 11 118.150 120.511 -2.361 1
1 93 . 15 0 1 A 12 12 ALA H H 12 7.935 7.801 0.134 1
1 94 . 15 0 1 A 12 12 ALA HA H 12 4.052 4.032 0.020 1
1 98 . 15 0 1 A 12 12 ALA CA C 12 55.104 54.734 0.370 1
1 99 . 15 0 1 A 12 12 ALA CB C 12 19.122 18.332 0.790 1
1 100 . 15 0 1 A 12 12 ALA N N 12 123.880 122.948 0.932 1
1 101 . 15 0 1 A 13 13 LEU H H 13 8.367 7.981 0.386 1
1 102 . 15 0 1 A 13 13 LEU HA H 13 4.524 4.210 0.314 1
1 104 . 15 0 1 A 13 13 LEU CA C 13 54.138 57.754 -3.616 1
1 105 . 15 0 1 A 13 13 LEU CB C 13 39.063 41.420 -2.357 1
1 106 . 15 0 1 A 13 13 LEU N N 13 120.800 119.860 0.940 1
1 107 . 15 0 1 A 14 14 VAL H H 14 8.127 8.640 -0.513 1
1 108 . 15 0 1 A 14 14 VAL HA H 14 3.354 3.496 -0.142 1
1 116 . 15 0 1 A 14 14 VAL CA C 14 67.895 66.849 1.046 1
1 117 . 15 0 1 A 14 14 VAL CB C 14 32.471 31.600 0.871 1
1 120 . 15 0 1 A 14 14 VAL N N 14 121.290 118.648 2.642 1
1 121 . 15 0 1 A 15 15 THR H H 15 7.813 8.090 -0.277 1
1 122 . 15 0 1 A 15 15 THR HA H 15 3.824 3.799 0.025 1
1 127 . 15 0 1 A 15 15 THR CA C 15 66.838 66.966 -0.128 1
1 128 . 15 0 1 A 15 15 THR CB C 15 69.152 68.761 0.391 1
1 130 . 15 0 1 A 15 15 THR N N 15 115.770 116.915 -1.145 1
1 131 . 15 0 1 A 16 16 GLU H H 16 8.201 8.743 -0.542 1
1 132 . 15 0 1 A 16 16 GLU HA H 16 4.134 4.068 0.066 1
1 136 . 15 0 1 A 16 16 GLU CA C 16 60.219 58.738 1.481 1
1 137 . 15 0 1 A 16 16 GLU CB C 16 27.443 27.742 -0.299 1
1 139 . 15 0 1 A 16 16 GLU N N 16 123.330 119.106 4.224 1
1 140 . 15 0 1 A 17 17 LEU H H 17 8.637 8.059 0.578 1
1 141 . 15 0 1 A 17 17 LEU HA H 17 3.779 4.053 -0.274 1
1 145 . 15 0 1 A 17 17 LEU CA C 17 58.646 57.999 0.647 1
1 146 . 15 0 1 A 17 17 LEU CB C 17 41.289 42.144 -0.855 1
1 147 . 15 0 1 A 17 17 LEU N N 17 119.350 123.330 -3.980 1
1 148 . 15 0 1 A 18 18 GLU H H 18 7.903 8.420 -0.517 1
1 149 . 15 0 1 A 18 18 GLU HA H 18 4.048 4.035 0.013 1
1 153 . 15 0 1 A 18 18 GLU CA C 18 59.140 59.393 -0.253 1
1 154 . 15 0 1 A 18 18 GLU CB C 18 27.587 28.973 -1.386 1
1 156 . 15 0 1 A 18 18 GLU N N 18 122.730 117.993 4.737 1
1 157 . 15 0 1 A 19 19 CYS H H 19 7.231 7.453 -0.222 1
1 158 . 15 0 1 A 19 19 CYS HA H 19 4.135 4.653 -0.518 1
1 161 . 15 0 1 A 19 19 CYS CA C 19 60.041 56.333 3.708 1
1 162 . 15 0 1 A 19 19 CYS CB C 19 39.419 42.621 -3.202 1
1 163 . 15 0 1 A 19 19 CYS N N 19 120.230 117.471 2.759 1
1 164 . 15 0 1 A 20 20 ILE H H 20 8.433 7.470 0.963 1
1 165 . 15 0 1 A 20 20 ILE HA H 20 3.288 3.991 -0.703 1
1 174 . 15 0 1 A 20 20 ILE CA C 20 66.135 63.840 2.295 1
1 175 . 15 0 1 A 20 20 ILE CB C 20 39.423 38.048 1.375 1
1 179 . 15 0 1 A 20 20 ILE N N 20 122.030 119.658 2.372 1
1 180 . 15 0 1 A 21 21 ARG H H 21 7.644 8.086 -0.442 1
1 181 . 15 0 1 A 21 21 ARG HA H 21 3.823 4.292 -0.469 1
1 183 . 15 0 1 A 21 21 ARG CA C 21 59.557 57.931 1.626 1
1 184 . 15 0 1 A 21 21 ARG CB C 21 30.680 30.106 0.574 1
1 187 . 15 0 1 A 21 21 ARG N N 21 119.330 120.770 -1.440 1
1 188 . 15 0 1 A 22 22 LEU H H 22 6.877 7.735 -0.858 1
1 189 . 15 0 1 A 22 22 LEU HA H 22 4.111 4.211 -0.100 1
1 199 . 15 0 1 A 22 22 LEU CA C 22 56.458 54.334 2.124 1
1 200 . 15 0 1 A 22 22 LEU CB C 22 42.824 41.090 1.734 1
1 204 . 15 0 1 A 22 22 LEU N N 22 114.780 117.067 -2.287 1
1 205 . 15 0 1 A 23 23 ARG H H 23 7.570 8.115 -0.545 1
1 206 . 15 0 1 A 23 23 ARG HA H 23 4.384 4.020 0.364 1
1 212 . 15 0 1 A 23 23 ARG CA C 23 56.733 57.750 -1.017 1
1 213 . 15 0 1 A 23 23 ARG CB C 23 33.160 28.595 4.565 1
1 216 . 15 0 1 A 23 23 ARG N N 23 117.100 113.563 3.537 1
1 218 . 15 0 1 A 24 24 ILE H H 24 7.041 8.398 -1.357 1
1 219 . 15 0 1 A 24 24 ILE HA H 24 4.653 3.904 0.749 1
1 229 . 15 0 1 A 24 24 ILE CA C 24 60.889 63.550 -2.661 1
1 230 . 15 0 1 A 24 24 ILE CB C 24 40.480 36.786 3.694 1
1 234 . 15 0 1 A 24 24 ILE N N 24 112.510 115.388 -2.878 1
1 235 . 15 0 1 A 25 25 SER H H 25 8.441 8.436 0.005 1
1 236 . 15 0 1 A 25 25 SER HA H 25 4.572 4.718 -0.146 1
1 239 . 15 0 1 A 25 25 SER CA C 25 58.047 59.520 -1.473 1
1 240 . 15 0 1 A 25 25 SER CB C 25 63.703 65.272 -1.569 1
1 241 . 15 0 1 A 25 25 SER N N 25 116.820 122.724 -5.904 1
1 242 . 15 0 1 A 26 26 PRO HA H 26 4.457 4.517 -0.060 1
1 248 . 15 0 1 A 26 26 PRO CA C 26 66.703 62.477 4.226 1
1 249 . 15 0 1 A 26 26 PRO CB C 26 32.374 33.426 -1.052 1
1 252 . 15 0 1 A 27 27 GLU H H 27 8.543 8.749 -0.206 1
1 253 . 15 0 1 A 27 27 GLU HA H 27 4.170 4.031 0.139 1
1 257 . 15 0 1 A 27 27 GLU CA C 27 60.003 58.976 1.027 1
1 258 . 15 0 1 A 27 27 GLU CB C 27 27.944 29.074 -1.130 1
1 260 . 15 0 1 A 27 27 GLU N N 27 117.750 121.306 -3.556 1
1 261 . 15 0 1 A 28 28 THR H H 28 8.099 7.699 0.400 1
1 262 . 15 0 1 A 28 28 THR HA H 28 4.178 2.125 2.053 1
1 267 . 15 0 1 A 28 28 THR CA C 28 67.201 65.248 1.953 1
1 268 . 15 0 1 A 28 28 THR CB C 28 67.314 69.007 -1.693 1
1 270 . 15 0 1 A 28 28 THR N N 28 122.040 115.244 6.796 1
1 271 . 15 0 1 A 29 29 ASN H H 29 8.621 7.924 0.697 1
1 272 . 15 0 1 A 29 29 ASN HA H 29 4.522 4.377 0.145 1
1 276 . 15 0 1 A 29 29 ASN CA C 29 58.319 56.140 2.179 1
1 277 . 15 0 1 A 29 29 ASN CB C 29 39.553 38.311 1.242 1
1 278 . 15 0 1 A 29 29 ASN N N 29 122.850 118.393 4.457 1
1 280 . 15 0 1 A 30 30 ALA H H 30 8.185 7.879 0.306 1
1 281 . 15 0 1 A 30 30 ALA HA H 30 4.141 3.982 0.159 1
1 285 . 15 0 1 A 30 30 ALA CA C 30 55.716 55.028 0.688 1
1 286 . 15 0 1 A 30 30 ALA CB C 30 17.815 18.452 -0.637 1
1 287 . 15 0 1 A 30 30 ALA N N 30 123.330 122.017 1.313 1
1 288 . 15 0 1 A 31 31 ALA H H 31 7.852 8.119 -0.267 1
1 289 . 15 0 1 A 31 31 ALA HA H 31 4.182 3.740 0.442 1
1 293 . 15 0 1 A 31 31 ALA CA C 31 55.395 54.888 0.507 1
1 294 . 15 0 1 A 31 31 ALA CB C 31 18.712 18.734 -0.022 1
1 295 . 15 0 1 A 31 31 ALA N N 31 122.920 119.668 3.252 1
1 296 . 15 0 1 A 32 32 PHE H H 32 8.497 7.769 0.728 1
1 297 . 15 0 1 A 32 32 PHE HA H 32 4.300 4.356 -0.056 1
1 303 . 15 0 1 A 32 32 PHE CA C 32 59.972 61.364 -1.392 1
1 304 . 15 0 1 A 32 32 PHE CB C 32 39.152 38.181 0.971 1
1 308 . 15 0 1 A 32 32 PHE N N 32 123.980 116.373 7.607 1
1 309 . 15 0 1 A 33 33 ASP H H 33 8.380 8.094 0.286 1
1 310 . 15 0 1 A 33 33 ASP HA H 33 4.298 4.327 -0.029 1
1 313 . 15 0 1 A 33 33 ASP CA C 33 57.394 57.703 -0.309 1
1 314 . 15 0 1 A 33 33 ASP CB C 33 38.380 40.983 -2.603 1
1 315 . 15 0 1 A 33 33 ASP N N 33 119.640 120.739 -1.099 1
1 316 . 15 0 1 A 34 34 ASN H H 34 7.854 8.121 -0.267 1
1 317 . 15 0 1 A 34 34 ASN HA H 34 4.410 4.481 -0.071 1
1 321 . 15 0 1 A 34 34 ASN CA C 34 56.974 55.227 1.747 1
1 322 . 15 0 1 A 34 34 ASN CB C 34 38.740 37.430 1.310 1
1 323 . 15 0 1 A 34 34 ASN N N 34 119.710 115.376 4.334 1
1 325 . 15 0 1 A 35 35 ALA H H 35 7.743 8.147 -0.404 1
1 326 . 15 0 1 A 35 35 ALA HA H 35 2.999 4.071 -1.072 1
1 330 . 15 0 1 A 35 35 ALA CA C 35 55.881 55.110 0.771 1
1 331 . 15 0 1 A 35 35 ALA CB C 35 17.360 18.942 -1.582 1
1 332 . 15 0 1 A 35 35 ALA N N 35 123.520 122.673 0.847 1
1 333 . 15 0 1 A 36 36 VAL H H 36 7.802 9.009 -1.207 1
1 334 . 15 0 1 A 36 36 VAL HA H 36 2.973 3.507 -0.534 1
1 342 . 15 0 1 A 36 36 VAL CA C 36 67.829 66.462 1.367 1
1 343 . 15 0 1 A 36 36 VAL CB C 36 32.410 31.626 0.784 1
1 346 . 15 0 1 A 36 36 VAL N N 36 115.430 117.933 -2.503 1
1 347 . 15 0 1 A 37 37 GLN H H 37 7.027 8.039 -1.012 1
1 348 . 15 0 1 A 37 37 GLN HA H 37 4.093 3.966 0.127 1
1 353 . 15 0 1 A 37 37 GLN CA C 37 59.039 59.346 -0.307 1
1 354 . 15 0 1 A 37 37 GLN CB C 37 28.910 28.102 0.808 1
1 356 . 15 0 1 A 37 37 GLN N N 37 116.140 120.028 -3.888 1
1 358 . 15 0 1 A 38 38 GLN H H 38 8.443 8.051 0.392 1
1 359 . 15 0 1 A 38 38 GLN HA H 38 3.939 3.981 -0.042 1
1 365 . 15 0 1 A 38 38 GLN CA C 38 58.748 58.914 -0.166 1
1 366 . 15 0 1 A 38 38 GLN CB C 38 28.854 28.508 0.346 1
1 368 . 15 0 1 A 38 38 GLN N N 38 120.080 118.735 1.345 1
1 370 . 15 0 1 A 39 39 LEU H H 39 7.565 7.652 -0.087 1
1 371 . 15 0 1 A 39 39 LEU HA H 39 4.199 4.225 -0.026 1
1 380 . 15 0 1 A 39 39 LEU CA C 39 54.901 56.728 -1.827 1
1 381 . 15 0 1 A 39 39 LEU CB C 39 42.208 42.612 -0.404 1
1 383 . 15 0 1 A 39 39 LEU N N 39 117.930 116.483 1.447 1
1 384 . 15 0 1 A 40 40 ASN H H 40 7.976 8.338 -0.362 1
1 385 . 15 0 1 A 40 40 ASN HA H 40 4.313 4.556 -0.243 1
1 389 . 15 0 1 A 40 40 ASN CA C 40 54.625 54.060 0.565 1
1 390 . 15 0 1 A 40 40 ASN CB C 40 36.903 36.970 -0.067 1
1 391 . 15 0 1 A 40 40 ASN N N 40 118.780 117.073 1.707 1
1 393 . 15 0 1 A 41 41 CYS H H 41 7.833 8.367 -0.534 1
1 394 . 15 0 1 A 41 41 CYS HA H 41 4.888 4.680 0.208 1
1 397 . 15 0 1 A 41 41 CYS CA C 41 55.148 56.090 -0.942 1
1 398 . 15 0 1 A 41 41 CYS CB C 41 42.078 42.754 -0.676 1
1 399 . 15 0 1 A 41 41 CYS N N 41 115.600 116.000 -0.400 1
1 400 . 15 0 1 A 42 42 LEU H H 42 8.371 8.115 0.256 1
1 401 . 15 0 1 A 42 42 LEU HA H 42 4.340 4.255 0.085 1
1 410 . 15 0 1 A 42 42 LEU CA C 42 55.342 56.903 -1.561 1
1 411 . 15 0 1 A 42 42 LEU CB C 42 43.358 41.886 1.472 1
1 415 . 15 0 1 A 42 42 LEU N N 42 116.770 120.906 -4.136 1
1 416 . 15 0 1 A 43 43 ASN H H 43 7.025 8.414 -1.389 1
1 417 . 15 0 1 A 43 43 ASN HA H 43 4.767 4.919 -0.152 1
1 422 . 15 0 1 A 43 43 ASN CA C 43 51.715 51.983 -0.268 1
1 423 . 15 0 1 A 43 43 ASN CB C 43 41.011 39.482 1.529 1
1 424 . 15 0 1 A 43 43 ASN N N 43 111.360 113.967 -2.607 1
1 426 . 15 0 1 A 44 44 ARG H H 44 8.735 9.195 -0.460 1
1 427 . 15 0 1 A 44 44 ARG HA H 44 3.868 4.201 -0.333 1
1 431 . 15 0 1 A 44 44 ARG CA C 44 60.307 58.604 1.703 1
1 432 . 15 0 1 A 44 44 ARG CB C 44 30.895 30.070 0.825 1
1 433 . 15 0 1 A 44 44 ARG N N 44 118.870 121.359 -2.489 1
1 434 . 15 0 1 A 45 45 ALA H H 45 8.381 8.175 0.206 1
1 435 . 15 0 1 A 45 45 ALA HA H 45 3.814 4.092 -0.278 1
1 439 . 15 0 1 A 45 45 ALA CA C 45 56.384 54.924 1.460 1
1 440 . 15 0 1 A 45 45 ALA CB C 45 17.800 18.018 -0.218 1
1 441 . 15 0 1 A 45 45 ALA N N 45 125.360 120.748 4.612 1
1 442 . 15 0 1 A 46 46 CYS H H 46 8.027 7.713 0.314 1
1 443 . 15 0 1 A 46 46 CYS HA H 46 4.168 4.581 -0.413 1
1 446 . 15 0 1 A 46 46 CYS CA C 46 59.006 56.949 2.057 1
1 447 . 15 0 1 A 46 46 CYS CB C 46 33.410 41.972 -8.562 1
1 448 . 15 0 1 A 46 46 CYS N N 46 117.400 116.916 0.484 1
1 449 . 15 0 1 A 47 47 ALA H H 47 7.144 8.225 -1.081 1
1 450 . 15 0 1 A 47 47 ALA HA H 47 3.837 4.301 -0.464 1
1 454 . 15 0 1 A 47 47 ALA CA C 47 55.130 55.150 -0.020 1
1 455 . 15 0 1 A 47 47 ALA CB C 47 19.618 18.462 1.156 1
1 456 . 15 0 1 A 47 47 ALA N N 47 123.130 122.853 0.277 1
1 457 . 15 0 1 A 48 48 TYR H H 48 8.841 8.268 0.573 1
1 458 . 15 0 1 A 48 48 TYR HA H 48 3.896 4.236 -0.340 1
1 462 . 15 0 1 A 48 48 TYR CA C 48 63.769 61.797 1.972 1
1 463 . 15 0 1 A 48 48 TYR CB C 48 40.446 37.327 3.119 1
1 466 . 15 0 1 A 48 48 TYR N N 48 120.860 116.291 4.569 1
1 467 . 15 0 1 A 49 49 ARG H H 49 8.501 8.337 0.164 1
1 468 . 15 0 1 A 49 49 ARG HA H 49 3.840 3.997 -0.157 1
1 470 . 15 0 1 A 49 49 ARG CA C 49 60.324 59.623 0.701 1
1 471 . 15 0 1 A 49 49 ARG CB C 49 29.890 29.636 0.254 1
1 472 . 15 0 1 A 49 49 ARG N N 49 117.110 121.866 -4.756 1
1 473 . 15 0 1 A 50 50 LYS H H 50 7.817 7.580 0.237 1
1 474 . 15 0 1 A 50 50 LYS HA H 50 3.965 4.067 -0.102 1
1 477 . 15 0 1 A 50 50 LYS CA C 50 61.111 59.546 1.565 1
1 478 . 15 0 1 A 50 50 LYS CB C 50 33.272 32.203 1.069 1
1 479 . 15 0 1 A 50 50 LYS N N 50 119.510 119.404 0.106 1
1 480 . 15 0 1 A 51 51 MET H H 51 7.934 8.319 -0.385 1
1 481 . 15 0 1 A 51 51 MET HA H 51 4.199 3.940 0.259 1
1 484 . 15 0 1 A 51 51 MET CA C 51 60.407 58.612 1.795 1
1 485 . 15 0 1 A 51 51 MET CB C 51 33.492 32.012 1.480 1
1 487 . 15 0 1 A 51 51 MET N N 51 119.740 117.899 1.841 1
1 488 . 15 0 1 A 52 52 CYS H H 52 8.545 7.697 0.848 1
1 489 . 15 0 1 A 52 52 CYS HA H 52 4.018 4.555 -0.537 1
1 492 . 15 0 1 A 52 52 CYS CA C 52 60.109 58.344 1.765 1
1 493 . 15 0 1 A 52 52 CYS CB C 52 40.790 42.645 -1.855 1
1 494 . 15 0 1 A 52 52 CYS N N 52 119.160 116.543 2.617 1
1 495 . 15 0 1 A 53 53 ALA H H 53 7.626 8.618 -0.992 1
1 496 . 15 0 1 A 53 53 ALA HA H 53 4.182 4.365 -0.183 1
1 500 . 15 0 1 A 53 53 ALA CA C 53 54.149 51.753 2.396 1
1 501 . 15 0 1 A 53 53 ALA CB C 53 18.492 19.035 -0.543 1
1 502 . 15 0 1 A 53 53 ALA N N 53 122.360 120.307 2.053 1
1 503 . 15 0 1 A 54 54 THR H H 54 7.041 8.573 -1.532 1
1 504 . 15 0 1 A 54 54 THR HA H 54 4.180 4.192 -0.012 1
1 509 . 15 0 1 A 54 54 THR CA C 54 63.143 63.060 0.083 1
1 510 . 15 0 1 A 54 54 THR CB C 54 71.301 66.518 4.783 1
1 512 . 15 0 1 A 54 54 THR N N 54 107.780 110.649 -2.869 1
1 513 . 15 0 1 A 55 55 ASN H H 55 8.071 7.809 0.262 1
1 514 . 15 0 1 A 55 55 ASN HA H 55 4.409 4.864 -0.455 1
1 518 . 15 0 1 A 55 55 ASN CA C 55 55.475 53.088 2.387 1
1 519 . 15 0 1 A 55 55 ASN CB C 55 38.226 38.576 -0.350 1
1 520 . 15 0 1 A 55 55 ASN N N 55 114.220 119.467 -5.247 1
1 522 . 15 0 1 A 56 56 ASN H H 56 7.751 8.791 -1.040 1
1 523 . 15 0 1 A 56 56 ASN HA H 56 4.598 5.122 -0.524 1
1 528 . 15 0 1 A 56 56 ASN CA C 56 53.301 52.230 1.071 1
1 529 . 15 0 1 A 56 56 ASN CB C 56 38.408 39.955 -1.547 1
1 530 . 15 0 1 A 56 56 ASN N N 56 117.400 122.607 -5.207 1
1 532 . 15 0 1 A 57 57 LEU H H 57 8.623 8.062 0.561 1
1 533 . 15 0 1 A 57 57 LEU HA H 57 3.783 4.428 -0.645 1
1 536 . 15 0 1 A 57 57 LEU CA C 57 58.796 54.725 4.071 1
1 537 . 15 0 1 A 57 57 LEU CB C 57 42.709 42.573 0.136 1
1 538 . 15 0 1 A 57 57 LEU N N 57 127.190 122.750 4.440 1
1 539 . 15 0 1 A 58 58 GLU H H 58 8.353 7.995 0.358 1
1 540 . 15 0 1 A 58 58 GLU HA H 58 3.792 4.162 -0.370 1
1 543 . 15 0 1 A 58 58 GLU CA C 58 60.263 58.722 1.541 1
1 544 . 15 0 1 A 58 58 GLU CB C 58 27.565 29.168 -1.603 1
1 546 . 15 0 1 A 58 58 GLU N N 58 117.370 120.224 -2.854 1
1 547 . 15 0 1 A 59 59 GLN H H 59 7.434 8.384 -0.950 1
1 548 . 15 0 1 A 59 59 GLN HA H 59 3.850 4.221 -0.371 1
1 553 . 15 0 1 A 59 59 GLN CA C 59 58.858 59.025 -0.167 1
1 554 . 15 0 1 A 59 59 GLN CB C 59 28.858 28.449 0.409 1
1 556 . 15 0 1 A 59 59 GLN N N 59 119.730 119.403 0.327 1
1 558 . 15 0 1 A 60 60 ALA H H 60 8.043 7.823 0.220 1
1 559 . 15 0 1 A 60 60 ALA HA H 60 4.090 4.081 0.009 1
1 563 . 15 0 1 A 60 60 ALA CA C 60 55.496 55.223 0.273 1
1 564 . 15 0 1 A 60 60 ALA CB C 60 19.168 18.579 0.589 1
1 565 . 15 0 1 A 60 60 ALA N N 60 124.010 122.463 1.547 1
1 566 . 15 0 1 A 61 61 MET H H 61 8.690 8.513 0.177 1
1 567 . 15 0 1 A 61 61 MET HA H 61 4.240 4.046 0.194 1
1 571 . 15 0 1 A 61 61 MET CA C 61 59.964 58.071 1.893 1
1 572 . 15 0 1 A 61 61 MET CB C 61 34.709 32.214 2.495 1
1 574 . 15 0 1 A 61 61 MET N N 61 114.840 117.375 -2.535 1
1 575 . 15 0 1 A 62 62 SER H H 62 7.697 8.940 -1.243 1
1 576 . 15 0 1 A 62 62 SER HA H 62 4.527 3.489 1.038 1
1 579 . 15 0 1 A 62 62 SER CA C 62 61.590 60.470 1.120 1
1 580 . 15 0 1 A 62 62 SER CB C 62 63.726 62.636 1.090 1
1 581 . 15 0 1 A 62 62 SER N N 62 115.290 114.801 0.489 1
1 582 . 15 0 1 A 63 63 VAL H H 63 6.876 7.329 -0.453 1
1 583 . 15 0 1 A 63 63 VAL HA H 63 3.366 3.733 -0.367 1
1 591 . 15 0 1 A 63 63 VAL CA C 63 65.247 65.250 -0.003 1
1 592 . 15 0 1 A 63 63 VAL CB C 63 32.621 31.775 0.846 1
1 595 . 15 0 1 A 63 63 VAL N N 63 120.720 121.341 -0.621 1
1 596 . 15 0 1 A 64 64 TYR H H 64 6.677 7.816 -1.139 1
1 597 . 15 0 1 A 64 64 TYR HA H 64 4.274 4.267 0.007 1
1 602 . 15 0 1 A 64 64 TYR CA C 64 57.735 60.064 -2.329 1
1 603 . 15 0 1 A 64 64 TYR CB C 64 42.007 38.504 3.503 1
1 606 . 15 0 1 A 64 64 TYR N N 64 115.320 118.375 -3.055 1
1 607 . 15 0 1 A 65 65 PHE H H 65 8.052 7.679 0.373 1
1 608 . 15 0 1 A 65 65 PHE HA H 65 5.160 5.087 0.073 1
1 614 . 15 0 1 A 65 65 PHE CA C 65 56.486 55.412 1.074 1
1 615 . 15 0 1 A 65 65 PHE CB C 65 43.296 41.795 1.501 1
1 619 . 15 0 1 A 65 65 PHE N N 65 117.410 117.035 0.375 1
1 620 . 15 0 1 A 66 66 THR H H 66 8.302 8.837 -0.535 1
1 621 . 15 0 1 A 66 66 THR HA H 66 4.657 5.000 -0.343 1
1 626 . 15 0 1 A 66 66 THR CA C 66 60.932 60.148 0.784 1
1 627 . 15 0 1 A 66 66 THR CB C 66 71.138 72.228 -1.090 1
1 629 . 15 0 1 A 66 66 THR N N 66 111.430 112.725 -1.295 1
1 630 . 15 0 1 A 67 67 ASN H H 67 9.025 9.062 -0.037 1
1 631 . 15 0 1 A 67 67 ASN HA H 67 4.223 4.406 -0.183 1
1 636 . 15 0 1 A 67 67 ASN CA C 67 57.459 57.011 0.448 1
1 637 . 15 0 1 A 67 67 ASN CB C 67 38.180 38.945 -0.765 1
1 638 . 15 0 1 A 67 67 ASN N N 67 120.120 120.399 -0.279 1
1 640 . 15 0 1 A 68 68 GLU H H 68 8.403 8.416 -0.013 1
1 641 . 15 0 1 A 68 68 GLU HA H 68 3.956 4.026 -0.070 1
1 645 . 15 0 1 A 68 68 GLU CA C 68 59.700 59.391 0.309 1
1 646 . 15 0 1 A 68 68 GLU CB C 68 28.105 29.111 -1.006 1
1 648 . 15 0 1 A 68 68 GLU N N 68 120.220 117.425 2.795 1
1 649 . 15 0 1 A 69 69 GLN H H 69 7.411 8.042 -0.631 1
1 650 . 15 0 1 A 69 69 GLN HA H 69 3.822 4.469 -0.647 1
1 657 . 15 0 1 A 69 69 GLN CA C 69 58.952 58.947 0.005 1
1 658 . 15 0 1 A 69 69 GLN CB C 69 28.418 28.161 0.257 1
1 659 . 15 0 1 A 69 69 GLN N N 69 120.940 118.984 1.956 1
1 661 . 15 0 1 A 70 70 ILE H H 70 8.327 7.690 0.637 1
1 662 . 15 0 1 A 70 70 ILE HA H 70 3.036 3.695 -0.659 1
1 671 . 15 0 1 A 70 70 ILE CA C 70 66.926 62.093 4.833 1
1 672 . 15 0 1 A 70 70 ILE CB C 70 38.603 37.280 1.323 1
1 676 . 15 0 1 A 70 70 ILE N N 70 120.560 119.666 0.894 1
1 677 . 15 0 1 A 71 71 LYS H H 71 7.554 7.878 -0.324 1
1 678 . 15 0 1 A 71 71 LYS HA H 71 3.909 3.973 -0.064 1
1 681 . 15 0 1 A 71 71 LYS CA C 71 60.156 60.500 -0.344 1
1 682 . 15 0 1 A 71 71 LYS CB C 71 32.294 32.187 0.107 1
1 683 . 15 0 1 A 71 71 LYS N N 71 121.040 121.996 -0.956 1
1 684 . 15 0 1 A 72 72 GLU H H 72 7.885 8.086 -0.201 1
1 685 . 15 0 1 A 72 72 GLU HA H 72 3.989 4.040 -0.051 1
1 688 . 15 0 1 A 72 72 GLU CA C 72 60.266 59.156 1.110 1
1 689 . 15 0 1 A 72 72 GLU CB C 72 30.213 29.338 0.875 1
1 691 . 15 0 1 A 72 72 GLU N N 72 119.670 120.017 -0.347 1
1 692 . 15 0 1 A 73 73 ILE H H 73 8.193 7.948 0.245 1
1 693 . 15 0 1 A 73 73 ILE HA H 73 3.312 3.976 -0.664 1
1 703 . 15 0 1 A 73 73 ILE CA C 73 66.520 63.587 2.933 1
1 704 . 15 0 1 A 73 73 ILE CB C 73 38.344 37.031 1.313 1
1 708 . 15 0 1 A 73 73 ILE N N 73 121.390 120.276 1.114 1
1 709 . 15 0 1 A 74 74 HIS H H 74 8.624 8.263 0.361 1
1 710 . 15 0 1 A 74 74 HIS HA H 74 4.174 4.246 -0.072 1
1 714 . 15 0 1 A 74 74 HIS CA C 74 59.179 60.206 -1.027 1
1 715 . 15 0 1 A 74 74 HIS CB C 74 28.498 29.954 -1.456 1
1 718 . 15 0 1 A 74 74 HIS N N 74 119.430 120.895 -1.465 1
1 719 . 15 0 1 A 75 75 ASP H H 75 8.824 8.063 0.761 1
1 720 . 15 0 1 A 75 75 ASP HA H 75 4.276 4.064 0.212 1
1 722 . 15 0 1 A 75 75 ASP CA C 75 56.474 56.790 -0.316 1
1 723 . 15 0 1 A 75 75 ASP CB C 75 38.100 40.383 -2.283 1
1 724 . 15 0 1 A 75 75 ASP N N 75 119.980 119.103 0.877 1
1 725 . 15 0 1 A 76 76 ALA H H 76 8.064 7.880 0.184 1
1 726 . 15 0 1 A 76 76 ALA HA H 76 4.012 4.121 -0.109 1
1 730 . 15 0 1 A 76 76 ALA CA C 76 54.988 54.812 0.176 1
1 731 . 15 0 1 A 76 76 ALA CB C 76 20.747 18.299 2.448 1
1 732 . 15 0 1 A 76 76 ALA N N 76 125.030 122.523 2.507 1
1 733 . 15 0 1 A 77 77 ALA H H 77 8.659 7.930 0.729 1
1 734 . 15 0 1 A 77 77 ALA HA H 77 3.613 4.642 -1.029 1
1 738 . 15 0 1 A 77 77 ALA CA C 77 55.772 53.710 2.062 1
1 739 . 15 0 1 A 77 77 ALA CB C 77 18.217 19.081 -0.864 1
1 740 . 15 0 1 A 77 77 ALA N N 77 122.060 119.408 2.652 1
1 741 . 15 0 1 A 78 78 THR H H 78 7.651 8.048 -0.397 1
1 742 . 15 0 1 A 78 78 THR HA H 78 3.762 3.801 -0.039 1
1 747 . 15 0 1 A 78 78 THR CA C 78 66.360 65.829 0.531 1
1 748 . 15 0 1 A 78 78 THR CB C 78 68.873 68.505 0.368 1
1 750 . 15 0 1 A 78 78 THR N N 78 113.580 113.439 0.141 1
1 751 . 15 0 1 A 79 79 ALA H H 79 7.291 7.302 -0.011 1
1 752 . 15 0 1 A 79 79 ALA HA H 79 4.022 4.125 -0.103 1
1 756 . 15 0 1 A 79 79 ALA CA C 79 54.713 51.581 3.132 1
1 757 . 15 0 1 A 79 79 ALA CB C 79 18.695 18.599 0.096 1
1 758 . 15 0 1 A 79 79 ALA N N 79 123.330 118.727 4.603 1
1 759 . 15 0 1 A 80 80 CYS H H 80 7.781 7.938 -0.157 1
1 760 . 15 0 1 A 80 80 CYS HA H 80 4.295 5.441 -1.146 1
1 762 . 15 0 1 A 80 80 CYS CA C 80 57.577 57.196 0.381 1
1 763 . 15 0 1 A 80 80 CYS CB C 80 43.192 40.061 3.131 1
1 764 . 15 0 1 A 80 80 CYS N N 80 115.190 114.983 0.207 1
1 765 . 15 0 1 A 81 81 ASP H H 81 7.323 7.914 -0.591 1
1 766 . 15 0 1 A 81 81 ASP HA H 81 4.743 5.162 -0.419 1
1 769 . 15 0 1 A 81 81 ASP CA C 81 52.419 51.392 1.027 1
1 770 . 15 0 1 A 81 81 ASP CB C 81 40.376 41.290 -0.914 1
1 771 . 15 0 1 A 81 81 ASP N N 81 121.570 121.519 0.051 1
1 772 . 15 0 1 A 82 82 PRO HA H 82 4.312 4.562 -0.250 1
1 777 . 15 0 1 A 82 82 PRO CA C 82 64.427 63.918 0.509 1
1 778 . 15 0 1 A 82 82 PRO CB C 82 32.685 32.597 0.088 1
1 780 . 15 0 1 A 83 83 GLU H H 83 8.036 7.751 0.285 1
1 781 . 15 0 1 A 83 83 GLU HA H 83 4.126 4.323 -0.197 1
1 785 . 15 0 1 A 83 83 GLU CA C 83 56.523 56.872 -0.349 1
1 786 . 15 0 1 A 83 83 GLU CB C 83 28.819 29.781 -0.962 1
1 788 . 15 0 1 A 83 83 GLU N N 83 118.550 118.874 -0.324 1
1 789 . 15 0 1 A 84 84 ALA H H 84 7.695 7.960 -0.265 1
1 790 . 15 0 1 A 84 84 ALA HA H 84 4.083 4.057 0.026 1
1 794 . 15 0 1 A 84 84 ALA CA C 84 52.963 52.734 0.229 1
1 795 . 15 0 1 A 84 84 ALA CB C 84 19.516 17.614 1.902 1
1 796 . 15 0 1 A 84 84 ALA N N 84 123.730 121.456 2.274 1
1 797 . 15 0 1 A 85 85 HIS H H 85 8.078 8.210 -0.132 1
1 798 . 15 0 1 A 85 85 HIS HA H 85 4.529 4.750 -0.221 1
1 803 . 15 0 1 A 85 85 HIS CA C 85 55.480 54.614 0.866 1
1 804 . 15 0 1 A 85 85 HIS CB C 85 29.115 28.456 0.659 1
1 807 . 15 0 1 A 85 85 HIS N N 85 117.030 121.623 -4.593 1
1 808 . 15 0 1 A 86 86 HIS H H 86 8.352 8.233 0.119 1
1 809 . 15 0 1 A 86 86 HIS HA H 86 4.596 3.952 0.644 1
1 814 . 15 0 1 A 86 86 HIS CA C 86 55.496 56.160 -0.664 1
1 815 . 15 0 1 A 86 86 HIS CB C 86 29.414 27.017 2.397 1
1 818 . 15 0 1 A 86 86 HIS N N 86 120.170 115.969 4.201 1
1 819 . 15 0 1 A 87 87 GLU H H 87 8.300 8.454 -0.154 1
1 820 . 15 0 1 A 87 87 GLU HA H 87 4.194 4.817 -0.623 1
1 823 . 15 0 1 A 87 87 GLU CA C 87 56.264 58.013 -1.749 1
1 824 . 15 0 1 A 87 87 GLU CB C 87 29.329 30.524 -1.195 1
1 826 . 15 0 1 A 87 87 GLU N N 87 121.850 117.997 3.853 1
1 827 . 15 0 1 A 88 88 HIS H H 88 8.524 7.727 0.797 1
1 828 . 15 0 1 A 88 88 HIS HA H 88 4.597 4.522 0.075 1
1 832 . 15 0 1 A 88 88 HIS CA C 88 55.621 55.077 0.544 1
1 833 . 15 0 1 A 88 88 HIS CB C 88 29.150 29.019 0.131 1
1 836 . 15 0 1 A 88 88 HIS N N 88 119.750 114.873 4.877 1
1 837 . 15 0 1 A 89 89 ASP H H 89 8.343 8.271 0.072 1
1 838 . 15 0 1 A 89 89 ASP HA H 89 4.579 4.586 -0.007 1
1 840 . 15 0 1 A 89 89 ASP CA C 89 53.805 52.632 1.173 1
1 841 . 15 0 1 A 89 89 ASP CB C 89 38.560 42.161 -3.601 1
1 842 . 15 0 1 A 89 89 ASP N N 89 120.950 119.698 1.252 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 86 1.735 1
3 1 1 1 "RMS(OBS, PRED)" CB 85 1.914 1
4 1 1 1 "RMS(OBS, PRED)" H 86 0.555 1
5 1 1 1 "RMS(OBS, PRED)" HA 89 0.396 1
6 1 1 1 "RMS(OBS, PRED)" N 86 3.284 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 86 1.713 1
9 1 2 1 "RMS(OBS, PRED)" CB 85 2.010 1
10 1 2 1 "RMS(OBS, PRED)" H 86 0.543 1
11 1 2 1 "RMS(OBS, PRED)" HA 89 0.401 1
12 1 2 1 "RMS(OBS, PRED)" N 86 3.408 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 86 1.675 1
15 1 3 1 "RMS(OBS, PRED)" CB 85 2.003 1
16 1 3 1 "RMS(OBS, PRED)" H 86 0.561 1
17 1 3 1 "RMS(OBS, PRED)" HA 89 0.355 1
18 1 3 1 "RMS(OBS, PRED)" N 86 3.022 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 86 1.711 1
21 1 4 1 "RMS(OBS, PRED)" CB 85 1.925 1
22 1 4 1 "RMS(OBS, PRED)" H 86 0.547 1
23 1 4 1 "RMS(OBS, PRED)" HA 89 0.388 1
24 1 4 1 "RMS(OBS, PRED)" N 86 3.171 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 86 1.693 1
27 1 5 1 "RMS(OBS, PRED)" CB 85 1.849 1
28 1 5 1 "RMS(OBS, PRED)" H 86 0.593 1
29 1 5 1 "RMS(OBS, PRED)" HA 89 0.409 1
30 1 5 1 "RMS(OBS, PRED)" N 86 3.071 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 86 1.683 1
33 1 6 1 "RMS(OBS, PRED)" CB 85 2.028 1
34 1 6 1 "RMS(OBS, PRED)" H 86 0.564 1
35 1 6 1 "RMS(OBS, PRED)" HA 89 0.372 1
36 1 6 1 "RMS(OBS, PRED)" N 86 3.370 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 86 1.697 1
39 1 7 1 "RMS(OBS, PRED)" CB 85 1.930 1
40 1 7 1 "RMS(OBS, PRED)" H 86 0.618 1
41 1 7 1 "RMS(OBS, PRED)" HA 89 0.411 1
42 1 7 1 "RMS(OBS, PRED)" N 86 3.644 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 86 1.615 1
45 1 8 1 "RMS(OBS, PRED)" CB 85 1.926 1
46 1 8 1 "RMS(OBS, PRED)" H 86 0.588 1
47 1 8 1 "RMS(OBS, PRED)" HA 89 0.390 1
48 1 8 1 "RMS(OBS, PRED)" N 86 2.992 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 86 1.831 1
51 1 9 1 "RMS(OBS, PRED)" CB 85 1.947 1
52 1 9 1 "RMS(OBS, PRED)" H 86 0.571 1
53 1 9 1 "RMS(OBS, PRED)" HA 89 0.397 1
54 1 9 1 "RMS(OBS, PRED)" N 86 3.120 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 86 1.603 1
57 1 10 1 "RMS(OBS, PRED)" CB 85 1.902 1
58 1 10 1 "RMS(OBS, PRED)" H 86 0.531 1
59 1 10 1 "RMS(OBS, PRED)" HA 89 0.360 1
60 1 10 1 "RMS(OBS, PRED)" N 86 3.315 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 86 1.751 1
63 1 11 1 "RMS(OBS, PRED)" CB 85 1.928 1
64 1 11 1 "RMS(OBS, PRED)" H 86 0.599 1
65 1 11 1 "RMS(OBS, PRED)" HA 89 0.362 1
66 1 11 1 "RMS(OBS, PRED)" N 86 3.146 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 86 1.699 1
69 1 12 1 "RMS(OBS, PRED)" CB 85 1.826 1
70 1 12 1 "RMS(OBS, PRED)" H 86 0.585 1
71 1 12 1 "RMS(OBS, PRED)" HA 89 0.397 1
72 1 12 1 "RMS(OBS, PRED)" N 86 3.219 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 86 1.674 1
75 1 13 1 "RMS(OBS, PRED)" CB 85 1.789 1
76 1 13 1 "RMS(OBS, PRED)" H 86 0.532 1
77 1 13 1 "RMS(OBS, PRED)" HA 89 0.331 1
78 1 13 1 "RMS(OBS, PRED)" N 86 3.444 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 86 1.723 1
81 1 14 1 "RMS(OBS, PRED)" CB 85 1.961 1
82 1 14 1 "RMS(OBS, PRED)" H 86 0.573 1
83 1 14 1 "RMS(OBS, PRED)" HA 89 0.387 1
84 1 14 1 "RMS(OBS, PRED)" N 86 3.539 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 86 1.696 1
87 1 15 1 "RMS(OBS, PRED)" CB 85 1.888 1
88 1 15 1 "RMS(OBS, PRED)" H 86 0.591 1
89 1 15 1 "RMS(OBS, PRED)" HA 89 0.442 1
90 1 15 1 "RMS(OBS, PRED)" N 86 3.076 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 9 . 0 1 A 2 2 HIS H H 2 8.902 8.675 0.227 2
1 10 . 0 1 A 2 2 HIS HA H 2 4.665 4.319 0.346 2
1 14 . 0 1 A 2 2 HIS CA C 2 55.744 57.165 -1.421 2
1 15 . 0 1 A 2 2 HIS CB C 2 29.481 29.375 0.106 2
1 18 . 0 1 A 2 2 HIS N N 2 122.160 120.246 1.914 2
1 19 . 0 1 A 3 3 GLN H H 3 8.624 8.346 0.278 2
1 20 . 0 1 A 3 3 GLN HA H 3 4.265 4.102 0.163 2
1 24 . 0 1 A 3 3 GLN CA C 3 55.961 57.161 -1.200 2
1 25 . 0 1 A 3 3 GLN CB C 3 29.727 28.620 1.107 2
1 27 . 0 1 A 3 3 GLN N N 3 123.710 119.224 4.486 2
1 29 . 0 1 A 4 4 GLU H H 4 8.499 8.016 0.483 2
1 30 . 0 1 A 4 4 GLU HA H 4 4.250 4.516 -0.266 2
1 33 . 0 1 A 4 4 GLU CA C 4 56.888 56.251 0.637 2
1 34 . 0 1 A 4 4 GLU CB C 4 29.316 30.528 -1.212 2
1 36 . 0 1 A 4 4 GLU N N 4 123.160 117.651 5.509 2
1 37 . 0 1 A 5 5 LEU H H 5 8.464 8.330 0.134 2
1 38 . 0 1 A 5 5 LEU HA H 5 4.004 4.234 -0.230 2
1 50 . 0 1 A 5 5 LEU N N 5 123.070 121.044 2.026 2
1 51 . 0 1 A 6 6 CYS H H 6 7.980 8.011 -0.031 2
1 52 . 0 1 A 6 6 CYS HA H 6 4.565 4.570 -0.005 2
1 55 . 0 1 A 6 6 CYS N N 6 113.540 114.761 -1.221 2
1 56 . 0 1 A 7 7 THR H H 7 7.639 8.196 -0.557 2
1 57 . 0 1 A 7 7 THR HA H 7 4.344 4.216 0.128 2
1 62 . 0 1 A 7 7 THR CA C 7 61.772 63.995 -2.223 2
1 63 . 0 1 A 7 7 THR CB C 7 69.825 68.804 1.021 2
1 65 . 0 1 A 7 7 THR N N 7 108.740 114.138 -5.398 2
1 66 . 0 1 A 8 8 LYS H H 8 7.380 8.087 -0.707 2
1 67 . 0 1 A 8 8 LYS HA H 8 4.174 4.279 -0.105 2
1 72 . 0 1 A 8 8 LYS CA C 8 56.632 56.077 0.555 2
1 73 . 0 1 A 8 8 LYS CB C 8 34.166 31.970 2.196 2
1 75 . 0 1 A 8 8 LYS N N 8 122.500 119.623 2.877 2
1 76 . 0 1 A 9 9 GLY H H 9 8.554 8.410 0.144 2
1 77 . 0 1 A 9 9 GLY HA2 H 9 4.027 3.847 0.180 2
1 78 . 0 1 A 9 9 GLY HA3 H 9 3.868 3.864 0.004 2
1 79 . 0 1 A 9 9 GLY CA C 9 45.101 45.958 -0.857 2
1 80 . 0 1 A 9 9 GLY N N 9 108.960 109.039 -0.079 2
1 81 . 0 1 A 10 10 ASP H H 10 8.455 8.744 -0.289 2
1 82 . 0 1 A 10 10 ASP HA H 10 4.146 4.405 -0.259 2
1 84 . 0 1 A 10 10 ASP CA C 10 57.568 56.584 0.984 2
1 85 . 0 1 A 10 10 ASP CB C 10 38.723 40.457 -1.734 2
1 86 . 0 1 A 10 10 ASP N N 10 118.550 123.208 -4.658 2
1 87 . 0 1 A 11 11 ASP H H 11 8.538 8.215 0.323 2
1 88 . 0 1 A 11 11 ASP HA H 11 4.262 4.332 -0.070 2
1 90 . 0 1 A 11 11 ASP CA C 11 56.696 57.460 -0.764 2
1 91 . 0 1 A 11 11 ASP CB C 11 37.812 41.049 -3.237 2
1 92 . 0 1 A 11 11 ASP N N 11 118.150 120.256 -2.106 2
1 93 . 0 1 A 12 12 ALA H H 12 7.935 7.645 0.290 2
1 94 . 0 1 A 12 12 ALA HA H 12 4.052 4.169 -0.117 2
1 98 . 0 1 A 12 12 ALA CA C 12 55.104 54.755 0.349 2
1 99 . 0 1 A 12 12 ALA CB C 12 19.122 18.359 0.763 2
1 100 . 0 1 A 12 12 ALA N N 12 123.880 121.812 2.068 2
1 101 . 0 1 A 13 13 LEU H H 13 8.367 7.898 0.469 2
1 102 . 0 1 A 13 13 LEU HA H 13 4.524 4.089 0.435 2
1 104 . 0 1 A 13 13 LEU CA C 13 54.138 57.403 -3.265 2
1 105 . 0 1 A 13 13 LEU CB C 13 39.063 41.414 -2.351 2
1 106 . 0 1 A 13 13 LEU N N 13 120.800 119.222 1.578 2
1 107 . 0 1 A 14 14 VAL H H 14 8.127 8.027 0.100 2
1 108 . 0 1 A 14 14 VAL HA H 14 3.354 3.640 -0.286 2
1 116 . 0 1 A 14 14 VAL CA C 14 67.895 66.094 1.801 2
1 117 . 0 1 A 14 14 VAL CB C 14 32.471 31.579 0.892 2
1 120 . 0 1 A 14 14 VAL N N 14 121.290 118.890 2.400 2
1 121 . 0 1 A 15 15 THR H H 15 7.813 8.059 -0.246 2
1 122 . 0 1 A 15 15 THR HA H 15 3.824 3.803 0.021 2
1 127 . 0 1 A 15 15 THR CA C 15 66.838 66.975 -0.137 2
1 128 . 0 1 A 15 15 THR CB C 15 69.152 68.596 0.556 2
1 130 . 0 1 A 15 15 THR N N 15 115.770 116.172 -0.402 2
1 131 . 0 1 A 16 16 GLU H H 16 8.201 8.669 -0.468 2
1 132 . 0 1 A 16 16 GLU HA H 16 4.134 3.993 0.141 2
1 136 . 0 1 A 16 16 GLU CA C 16 60.219 59.202 1.017 2
1 137 . 0 1 A 16 16 GLU CB C 16 27.443 29.047 -1.604 2
1 139 . 0 1 A 16 16 GLU N N 16 123.330 119.931 3.399 2
1 140 . 0 1 A 17 17 LEU H H 17 8.637 8.148 0.489 2
1 141 . 0 1 A 17 17 LEU HA H 17 3.779 3.968 -0.189 2
1 145 . 0 1 A 17 17 LEU CA C 17 58.646 57.997 0.649 2
1 146 . 0 1 A 17 17 LEU CB C 17 41.289 41.488 -0.199 2
1 147 . 0 1 A 17 17 LEU N N 17 119.350 120.711 -1.361 2
1 148 . 0 1 A 18 18 GLU H H 18 7.903 8.625 -0.722 2
1 149 . 0 1 A 18 18 GLU HA H 18 4.048 3.951 0.097 2
1 153 . 0 1 A 18 18 GLU CA C 18 59.140 59.398 -0.258 2
1 154 . 0 1 A 18 18 GLU CB C 18 27.587 28.833 -1.246 2
1 156 . 0 1 A 18 18 GLU N N 18 122.730 118.307 4.423 2
1 157 . 0 1 A 19 19 CYS H H 19 7.231 7.611 -0.380 2
1 158 . 0 1 A 19 19 CYS HA H 19 4.135 4.583 -0.448 2
1 161 . 0 1 A 19 19 CYS CA C 19 60.041 57.225 2.816 2
1 162 . 0 1 A 19 19 CYS CB C 19 39.419 42.508 -3.089 2
1 163 . 0 1 A 19 19 CYS N N 19 120.230 116.788 3.442 2
1 164 . 0 1 A 20 20 ILE H H 20 8.433 7.758 0.675 2
1 165 . 0 1 A 20 20 ILE HA H 20 3.288 4.006 -0.718 2
1 174 . 0 1 A 20 20 ILE CA C 20 66.135 63.110 3.025 2
1 175 . 0 1 A 20 20 ILE CB C 20 39.423 37.973 1.450 2
1 179 . 0 1 A 20 20 ILE N N 20 122.030 119.832 2.198 2
1 180 . 0 1 A 21 21 ARG H H 21 7.644 7.861 -0.217 2
1 181 . 0 1 A 21 21 ARG HA H 21 3.823 4.266 -0.443 2
1 183 . 0 1 A 21 21 ARG CA C 21 59.557 57.107 2.450 2
1 184 . 0 1 A 21 21 ARG CB C 21 30.680 30.277 0.403 2
1 187 . 0 1 A 21 21 ARG N N 21 119.330 121.259 -1.929 2
1 188 . 0 1 A 22 22 LEU H H 22 6.877 7.758 -0.881 2
1 189 . 0 1 A 22 22 LEU HA H 22 4.111 4.197 -0.086 2
1 199 . 0 1 A 22 22 LEU CA C 22 56.458 54.894 1.564 2
1 200 . 0 1 A 22 22 LEU CB C 22 42.824 40.854 1.970 2
1 204 . 0 1 A 22 22 LEU N N 22 114.780 116.126 -1.346 2
1 205 . 0 1 A 23 23 ARG H H 23 7.570 8.182 -0.612 2
1 206 . 0 1 A 23 23 ARG HA H 23 4.384 4.182 0.202 2
1 212 . 0 1 A 23 23 ARG CA C 23 56.733 57.071 -0.338 2
1 213 . 0 1 A 23 23 ARG CB C 23 33.160 29.525 3.635 2
1 216 . 0 1 A 23 23 ARG N N 23 117.100 116.917 0.183 2
1 218 . 0 1 A 24 24 ILE H H 24 7.041 8.179 -1.138 2
1 219 . 0 1 A 24 24 ILE HA H 24 4.653 3.924 0.729 2
1 229 . 0 1 A 24 24 ILE CA C 24 60.889 63.625 -2.736 2
1 230 . 0 1 A 24 24 ILE CB C 24 40.480 37.289 3.191 2
1 234 . 0 1 A 24 24 ILE N N 24 112.510 118.959 -6.449 2
1 235 . 0 1 A 25 25 SER H H 25 8.441 8.248 0.193 2
1 236 . 0 1 A 25 25 SER HA H 25 4.572 4.657 -0.085 2
1 239 . 0 1 A 25 25 SER CA C 25 58.047 59.492 -1.445 2
1 240 . 0 1 A 25 25 SER CB C 25 63.703 65.075 -1.372 2
1 241 . 0 1 A 25 25 SER N N 25 116.820 118.226 -1.406 2
1 242 . 0 1 A 26 26 PRO HA H 26 4.457 4.511 -0.054 2
1 248 . 0 1 A 26 26 PRO CA C 26 66.703 62.423 4.280 2
1 249 . 0 1 A 26 26 PRO CB C 26 32.374 33.100 -0.726 2
1 252 . 0 1 A 27 27 GLU H H 27 8.543 8.795 -0.252 2
1 253 . 0 1 A 27 27 GLU HA H 27 4.170 4.089 0.081 2
1 257 . 0 1 A 27 27 GLU CA C 27 60.003 58.908 1.095 2
1 258 . 0 1 A 27 27 GLU CB C 27 27.944 29.152 -1.208 2
1 260 . 0 1 A 27 27 GLU N N 27 117.750 121.337 -3.587 2
1 261 . 0 1 A 28 28 THR H H 28 8.099 7.824 0.275 2
1 262 . 0 1 A 28 28 THR HA H 28 4.178 3.029 1.149 2
1 267 . 0 1 A 28 28 THR CA C 28 67.201 65.644 1.557 2
1 268 . 0 1 A 28 28 THR CB C 28 67.314 69.201 -1.887 2
1 270 . 0 1 A 28 28 THR N N 28 122.040 115.330 6.710 2
1 271 . 0 1 A 29 29 ASN H H 29 8.621 8.018 0.603 2
1 272 . 0 1 A 29 29 ASN HA H 29 4.522 4.450 0.072 2
1 276 . 0 1 A 29 29 ASN CA C 29 58.319 56.188 2.131 2
1 277 . 0 1 A 29 29 ASN CB C 29 39.553 38.276 1.277 2
1 278 . 0 1 A 29 29 ASN N N 29 122.850 118.891 3.959 2
1 280 . 0 1 A 30 30 ALA H H 30 8.185 8.036 0.149 2
1 281 . 0 1 A 30 30 ALA HA H 30 4.141 4.030 0.111 2
1 285 . 0 1 A 30 30 ALA CA C 30 55.716 54.994 0.722 2
1 286 . 0 1 A 30 30 ALA CB C 30 17.815 18.408 -0.593 2
1 287 . 0 1 A 30 30 ALA N N 30 123.330 122.298 1.032 2
1 288 . 0 1 A 31 31 ALA H H 31 7.852 8.208 -0.356 2
1 289 . 0 1 A 31 31 ALA HA H 31 4.182 3.708 0.474 2
1 293 . 0 1 A 31 31 ALA CA C 31 55.395 54.713 0.682 2
1 294 . 0 1 A 31 31 ALA CB C 31 18.712 18.433 0.279 2
1 295 . 0 1 A 31 31 ALA N N 31 122.920 119.674 3.246 2
1 296 . 0 1 A 32 32 PHE H H 32 8.497 7.406 1.091 2
1 297 . 0 1 A 32 32 PHE HA H 32 4.300 4.296 0.004 2
1 303 . 0 1 A 32 32 PHE CA C 32 59.972 61.304 -1.332 2
1 304 . 0 1 A 32 32 PHE CB C 32 39.152 38.052 1.100 2
1 308 . 0 1 A 32 32 PHE N N 32 123.980 116.259 7.721 2
1 309 . 0 1 A 33 33 ASP H H 33 8.380 8.123 0.257 2
1 310 . 0 1 A 33 33 ASP HA H 33 4.298 4.312 -0.014 2
1 313 . 0 1 A 33 33 ASP CA C 33 57.394 57.625 -0.231 2
1 314 . 0 1 A 33 33 ASP CB C 33 38.380 41.292 -2.912 2
1 315 . 0 1 A 33 33 ASP N N 33 119.640 120.624 -0.984 2
1 316 . 0 1 A 34 34 ASN H H 34 7.854 8.091 -0.237 2
1 317 . 0 1 A 34 34 ASN HA H 34 4.410 4.399 0.011 2
1 321 . 0 1 A 34 34 ASN CA C 34 56.974 55.736 1.238 2
1 322 . 0 1 A 34 34 ASN CB C 34 38.740 37.766 0.974 2
1 323 . 0 1 A 34 34 ASN N N 34 119.710 116.516 3.194 2
1 325 . 0 1 A 35 35 ALA H H 35 7.743 8.031 -0.288 2
1 326 . 0 1 A 35 35 ALA HA H 35 2.999 4.018 -1.019 2
1 330 . 0 1 A 35 35 ALA CA C 35 55.881 55.077 0.804 2
1 331 . 0 1 A 35 35 ALA CB C 35 17.360 18.783 -1.423 2
1 332 . 0 1 A 35 35 ALA N N 35 123.520 122.174 1.346 2
1 333 . 0 1 A 36 36 VAL H H 36 7.802 8.907 -1.105 2
1 334 . 0 1 A 36 36 VAL HA H 36 2.973 3.573 -0.600 2
1 342 . 0 1 A 36 36 VAL CA C 36 67.829 66.259 1.570 2
1 343 . 0 1 A 36 36 VAL CB C 36 32.410 31.371 1.039 2
1 346 . 0 1 A 36 36 VAL N N 36 115.430 117.709 -2.279 2
1 347 . 0 1 A 37 37 GLN H H 37 7.027 8.023 -0.996 2
1 348 . 0 1 A 37 37 GLN HA H 37 4.093 3.942 0.151 2
1 353 . 0 1 A 37 37 GLN CA C 37 59.039 59.147 -0.108 2
1 354 . 0 1 A 37 37 GLN CB C 37 28.910 28.336 0.574 2
1 356 . 0 1 A 37 37 GLN N N 37 116.140 120.485 -4.345 2
1 358 . 0 1 A 38 38 GLN H H 38 8.443 7.867 0.576 2
1 359 . 0 1 A 38 38 GLN HA H 38 3.939 3.973 -0.034 2
1 365 . 0 1 A 38 38 GLN CA C 38 58.748 58.948 -0.200 2
1 366 . 0 1 A 38 38 GLN CB C 38 28.854 28.511 0.343 2
1 368 . 0 1 A 38 38 GLN N N 38 120.080 118.896 1.184 2
1 370 . 0 1 A 39 39 LEU H H 39 7.565 7.668 -0.103 2
1 371 . 0 1 A 39 39 LEU HA H 39 4.199 4.152 0.047 2
1 380 . 0 1 A 39 39 LEU CA C 39 54.901 56.683 -1.782 2
1 381 . 0 1 A 39 39 LEU CB C 39 42.208 42.079 0.129 2
1 383 . 0 1 A 39 39 LEU N N 39 117.930 117.659 0.271 2
1 384 . 0 1 A 40 40 ASN H H 40 7.976 8.128 -0.152 2
1 385 . 0 1 A 40 40 ASN HA H 40 4.313 4.575 -0.262 2
1 389 . 0 1 A 40 40 ASN CA C 40 54.625 54.071 0.554 2
1 390 . 0 1 A 40 40 ASN CB C 40 36.903 36.584 0.319 2
1 391 . 0 1 A 40 40 ASN N N 40 118.780 116.976 1.804 2
1 393 . 0 1 A 41 41 CYS H H 41 7.833 8.030 -0.197 2
1 394 . 0 1 A 41 41 CYS HA H 41 4.888 4.614 0.274 2
1 397 . 0 1 A 41 41 CYS CA C 41 55.148 56.557 -1.409 2
1 398 . 0 1 A 41 41 CYS CB C 41 42.078 42.806 -0.728 2
1 399 . 0 1 A 41 41 CYS N N 41 115.600 117.429 -1.829 2
1 400 . 0 1 A 42 42 LEU H H 42 8.371 8.031 0.340 2
1 401 . 0 1 A 42 42 LEU HA H 42 4.340 4.130 0.210 2
1 410 . 0 1 A 42 42 LEU CA C 42 55.342 56.948 -1.606 2
1 411 . 0 1 A 42 42 LEU CB C 42 43.358 41.316 2.042 2
1 415 . 0 1 A 42 42 LEU N N 42 116.770 120.184 -3.414 2
1 416 . 0 1 A 43 43 ASN H H 43 7.025 8.200 -1.175 2
1 417 . 0 1 A 43 43 ASN HA H 43 4.767 4.903 -0.136 2
1 422 . 0 1 A 43 43 ASN CA C 43 51.715 52.489 -0.774 2
1 423 . 0 1 A 43 43 ASN CB C 43 41.011 39.860 1.151 2
1 424 . 0 1 A 43 43 ASN N N 43 111.360 115.151 -3.791 2
1 426 . 0 1 A 44 44 ARG H H 44 8.735 9.080 -0.345 2
1 427 . 0 1 A 44 44 ARG HA H 44 3.868 4.152 -0.284 2
1 431 . 0 1 A 44 44 ARG CA C 44 60.307 58.714 1.593 2
1 432 . 0 1 A 44 44 ARG CB C 44 30.895 30.016 0.879 2
1 433 . 0 1 A 44 44 ARG N N 44 118.870 122.382 -3.512 2
1 434 . 0 1 A 45 45 ALA H H 45 8.381 8.143 0.238 2
1 435 . 0 1 A 45 45 ALA HA H 45 3.814 4.086 -0.272 2
1 439 . 0 1 A 45 45 ALA CA C 45 56.384 55.036 1.348 2
1 440 . 0 1 A 45 45 ALA CB C 45 17.800 17.959 -0.159 2
1 441 . 0 1 A 45 45 ALA N N 45 125.360 121.214 4.146 2
1 442 . 0 1 A 46 46 CYS H H 46 8.027 7.987 0.040 2
1 443 . 0 1 A 46 46 CYS HA H 46 4.168 4.313 -0.145 2
1 446 . 0 1 A 46 46 CYS CA C 46 59.006 58.674 0.332 2
1 447 . 0 1 A 46 46 CYS CB C 46 33.410 41.775 -8.365 2
1 448 . 0 1 A 46 46 CYS N N 46 117.400 116.831 0.569 2
1 449 . 0 1 A 47 47 ALA H H 47 7.144 7.967 -0.823 2
1 450 . 0 1 A 47 47 ALA HA H 47 3.837 4.024 -0.187 2
1 454 . 0 1 A 47 47 ALA CA C 47 55.130 55.025 0.105 2
1 455 . 0 1 A 47 47 ALA CB C 47 19.618 18.571 1.047 2
1 456 . 0 1 A 47 47 ALA N N 47 123.130 122.659 0.471 2
1 457 . 0 1 A 48 48 TYR H H 48 8.841 8.216 0.625 2
1 458 . 0 1 A 48 48 TYR HA H 48 3.896 4.256 -0.360 2
1 462 . 0 1 A 48 48 TYR CA C 48 63.769 61.708 2.061 2
1 463 . 0 1 A 48 48 TYR CB C 48 40.446 37.774 2.672 2
1 466 . 0 1 A 48 48 TYR N N 48 120.860 116.768 4.092 2
1 467 . 0 1 A 49 49 ARG H H 49 8.501 8.502 -0.001 2
1 468 . 0 1 A 49 49 ARG HA H 49 3.840 4.039 -0.199 2
1 470 . 0 1 A 49 49 ARG CA C 49 60.324 59.447 0.877 2
1 471 . 0 1 A 49 49 ARG CB C 49 29.890 29.805 0.085 2
1 472 . 0 1 A 49 49 ARG N N 49 117.110 120.836 -3.726 2
1 473 . 0 1 A 50 50 LYS H H 50 7.817 7.740 0.077 2
1 474 . 0 1 A 50 50 LYS HA H 50 3.965 4.123 -0.158 2
1 477 . 0 1 A 50 50 LYS CA C 50 61.111 59.126 1.985 2
1 478 . 0 1 A 50 50 LYS CB C 50 33.272 31.886 1.386 2
1 479 . 0 1 A 50 50 LYS N N 50 119.510 119.365 0.145 2
1 480 . 0 1 A 51 51 MET H H 51 7.934 8.137 -0.203 2
1 481 . 0 1 A 51 51 MET HA H 51 4.199 4.031 0.168 2
1 484 . 0 1 A 51 51 MET CA C 51 60.407 58.611 1.796 2
1 485 . 0 1 A 51 51 MET CB C 51 33.492 31.927 1.565 2
1 487 . 0 1 A 51 51 MET N N 51 119.740 118.338 1.402 2
1 488 . 0 1 A 52 52 CYS H H 52 8.545 8.275 0.270 2
1 489 . 0 1 A 52 52 CYS HA H 52 4.018 4.333 -0.315 2
1 492 . 0 1 A 52 52 CYS CA C 52 60.109 58.864 1.245 2
1 493 . 0 1 A 52 52 CYS CB C 52 40.790 42.172 -1.382 2
1 494 . 0 1 A 52 52 CYS N N 52 119.160 117.206 1.954 2
1 495 . 0 1 A 53 53 ALA H H 53 7.626 8.066 -0.440 2
1 496 . 0 1 A 53 53 ALA HA H 53 4.182 4.275 -0.093 2
1 500 . 0 1 A 53 53 ALA CA C 53 54.149 54.324 -0.175 2
1 501 . 0 1 A 53 53 ALA CB C 53 18.492 19.405 -0.913 2
1 502 . 0 1 A 53 53 ALA N N 53 122.360 122.286 0.074 2
1 503 . 0 1 A 54 54 THR H H 54 7.041 8.051 -1.010 2
1 504 . 0 1 A 54 54 THR HA H 54 4.180 4.622 -0.442 2
1 509 . 0 1 A 54 54 THR CA C 54 63.143 62.811 0.332 2
1 510 . 0 1 A 54 54 THR CB C 54 71.301 70.396 0.905 2
1 512 . 0 1 A 54 54 THR N N 54 107.780 109.135 -1.355 2
1 513 . 0 1 A 55 55 ASN H H 55 8.071 7.868 0.203 2
1 514 . 0 1 A 55 55 ASN HA H 55 4.409 5.067 -0.658 2
1 518 . 0 1 A 55 55 ASN CA C 55 55.475 53.085 2.390 2
1 519 . 0 1 A 55 55 ASN CB C 55 38.226 40.217 -1.991 2
1 520 . 0 1 A 55 55 ASN N N 55 114.220 116.055 -1.835 2
1 522 . 0 1 A 56 56 ASN H H 56 7.751 8.625 -0.874 2
1 523 . 0 1 A 56 56 ASN HA H 56 4.598 4.848 -0.250 2
1 528 . 0 1 A 56 56 ASN CA C 56 53.301 54.208 -0.907 2
1 529 . 0 1 A 56 56 ASN CB C 56 38.408 39.689 -1.281 2
1 530 . 0 1 A 56 56 ASN N N 56 117.400 117.860 -0.460 2
1 532 . 0 1 A 57 57 LEU H H 57 8.623 8.291 0.332 2
1 533 . 0 1 A 57 57 LEU HA H 57 3.783 4.094 -0.311 2
1 536 . 0 1 A 57 57 LEU CA C 57 58.796 57.030 1.766 2
1 537 . 0 1 A 57 57 LEU CB C 57 42.709 41.608 1.101 2
1 538 . 0 1 A 57 57 LEU N N 57 127.190 120.448 6.742 2
1 539 . 0 1 A 58 58 GLU H H 58 8.353 8.541 -0.188 2
1 540 . 0 1 A 58 58 GLU HA H 58 3.792 4.214 -0.422 2
1 543 . 0 1 A 58 58 GLU CA C 58 60.263 58.766 1.497 2
1 544 . 0 1 A 58 58 GLU CB C 58 27.565 28.514 -0.949 2
1 546 . 0 1 A 58 58 GLU N N 58 117.370 119.701 -2.331 2
1 547 . 0 1 A 59 59 GLN H H 59 7.434 8.098 -0.664 2
1 548 . 0 1 A 59 59 GLN HA H 59 3.850 4.030 -0.180 2
1 553 . 0 1 A 59 59 GLN CA C 59 58.858 58.795 0.063 2
1 554 . 0 1 A 59 59 GLN CB C 59 28.858 28.600 0.258 2
1 556 . 0 1 A 59 59 GLN N N 59 119.730 119.324 0.406 2
1 558 . 0 1 A 60 60 ALA H H 60 8.043 7.688 0.355 2
1 559 . 0 1 A 60 60 ALA HA H 60 4.090 4.083 0.007 2
1 563 . 0 1 A 60 60 ALA CA C 60 55.496 55.046 0.450 2
1 564 . 0 1 A 60 60 ALA CB C 60 19.168 18.748 0.420 2
1 565 . 0 1 A 60 60 ALA N N 60 124.010 121.283 2.727 2
1 566 . 0 1 A 61 61 MET H H 61 8.690 8.315 0.375 2
1 567 . 0 1 A 61 61 MET HA H 61 4.240 3.829 0.411 2
1 571 . 0 1 A 61 61 MET CA C 61 59.964 57.965 1.999 2
1 572 . 0 1 A 61 61 MET CB C 61 34.709 32.156 2.553 2
1 574 . 0 1 A 61 61 MET N N 61 114.840 117.129 -2.289 2
1 575 . 0 1 A 62 62 SER H H 62 7.697 8.010 -0.313 2
1 576 . 0 1 A 62 62 SER HA H 62 4.527 3.781 0.746 2
1 579 . 0 1 A 62 62 SER CA C 62 61.590 61.075 0.515 2
1 580 . 0 1 A 62 62 SER CB C 62 63.726 62.861 0.865 2
1 581 . 0 1 A 62 62 SER N N 62 115.290 114.957 0.333 2
1 582 . 0 1 A 63 63 VAL H H 63 6.876 7.655 -0.779 2
1 583 . 0 1 A 63 63 VAL HA H 63 3.366 3.613 -0.247 2
1 591 . 0 1 A 63 63 VAL CA C 63 65.247 66.256 -1.009 2
1 592 . 0 1 A 63 63 VAL CB C 63 32.621 31.514 1.107 2
1 595 . 0 1 A 63 63 VAL N N 63 120.720 122.045 -1.325 2
1 596 . 0 1 A 64 64 TYR H H 64 6.677 7.799 -1.122 2
1 597 . 0 1 A 64 64 TYR HA H 64 4.274 4.322 -0.048 2
1 602 . 0 1 A 64 64 TYR CA C 64 57.735 60.177 -2.442 2
1 603 . 0 1 A 64 64 TYR CB C 64 42.007 38.868 3.139 2
1 606 . 0 1 A 64 64 TYR N N 64 115.320 118.747 -3.427 2
1 607 . 0 1 A 65 65 PHE H H 65 8.052 7.634 0.418 2
1 608 . 0 1 A 65 65 PHE HA H 65 5.160 4.840 0.320 2
1 614 . 0 1 A 65 65 PHE CA C 65 56.486 55.839 0.647 2
1 615 . 0 1 A 65 65 PHE CB C 65 43.296 40.811 2.485 2
1 619 . 0 1 A 65 65 PHE N N 65 117.410 116.978 0.432 2
1 620 . 0 1 A 66 66 THR H H 66 8.302 8.936 -0.634 2
1 621 . 0 1 A 66 66 THR HA H 66 4.657 4.866 -0.209 2
1 626 . 0 1 A 66 66 THR CA C 66 60.932 60.361 0.571 2
1 627 . 0 1 A 66 66 THR CB C 66 71.138 71.741 -0.603 2
1 629 . 0 1 A 66 66 THR N N 66 111.430 112.913 -1.483 2
1 630 . 0 1 A 67 67 ASN H H 67 9.025 9.134 -0.109 2
1 631 . 0 1 A 67 67 ASN HA H 67 4.223 4.479 -0.256 2
1 636 . 0 1 A 67 67 ASN CA C 67 57.459 56.810 0.649 2
1 637 . 0 1 A 67 67 ASN CB C 67 38.180 38.145 0.035 2
1 638 . 0 1 A 67 67 ASN N N 67 120.120 119.966 0.154 2
1 640 . 0 1 A 68 68 GLU H H 68 8.403 8.399 0.004 2
1 641 . 0 1 A 68 68 GLU HA H 68 3.956 4.043 -0.087 2
1 645 . 0 1 A 68 68 GLU CA C 68 59.700 59.256 0.444 2
1 646 . 0 1 A 68 68 GLU CB C 68 28.105 28.984 -0.879 2
1 648 . 0 1 A 68 68 GLU N N 68 120.220 118.110 2.110 2
1 649 . 0 1 A 69 69 GLN H H 69 7.411 7.948 -0.537 2
1 650 . 0 1 A 69 69 GLN HA H 69 3.822 4.079 -0.257 2
1 657 . 0 1 A 69 69 GLN CA C 69 58.952 58.806 0.146 2
1 658 . 0 1 A 69 69 GLN CB C 69 28.418 28.106 0.312 2
1 659 . 0 1 A 69 69 GLN N N 69 120.940 119.086 1.854 2
1 661 . 0 1 A 70 70 ILE H H 70 8.327 7.550 0.777 2
1 662 . 0 1 A 70 70 ILE HA H 70 3.036 3.671 -0.635 2
1 671 . 0 1 A 70 70 ILE CA C 70 66.926 62.087 4.839 2
1 672 . 0 1 A 70 70 ILE CB C 70 38.603 37.654 0.949 2
1 676 . 0 1 A 70 70 ILE N N 70 120.560 119.545 1.015 2
1 677 . 0 1 A 71 71 LYS H H 71 7.554 7.979 -0.425 2
1 678 . 0 1 A 71 71 LYS HA H 71 3.909 3.946 -0.037 2
1 681 . 0 1 A 71 71 LYS CA C 71 60.156 60.150 0.006 2
1 682 . 0 1 A 71 71 LYS CB C 71 32.294 32.253 0.041 2
1 683 . 0 1 A 71 71 LYS N N 71 121.040 121.820 -0.780 2
1 684 . 0 1 A 72 72 GLU H H 72 7.885 7.978 -0.093 2
1 685 . 0 1 A 72 72 GLU HA H 72 3.989 4.034 -0.045 2
1 688 . 0 1 A 72 72 GLU CA C 72 60.266 59.143 1.123 2
1 689 . 0 1 A 72 72 GLU CB C 72 30.213 29.350 0.863 2
1 691 . 0 1 A 72 72 GLU N N 72 119.670 119.343 0.327 2
1 692 . 0 1 A 73 73 ILE H H 73 8.193 7.842 0.351 2
1 693 . 0 1 A 73 73 ILE HA H 73 3.312 3.920 -0.608 2
1 703 . 0 1 A 73 73 ILE CA C 73 66.520 63.589 2.931 2
1 704 . 0 1 A 73 73 ILE CB C 73 38.344 37.385 0.959 2
1 708 . 0 1 A 73 73 ILE N N 73 121.390 120.266 1.124 2
1 709 . 0 1 A 74 74 HIS H H 74 8.624 8.101 0.523 2
1 710 . 0 1 A 74 74 HIS HA H 74 4.174 4.289 -0.115 2
1 714 . 0 1 A 74 74 HIS CA C 74 59.179 59.999 -0.820 2
1 715 . 0 1 A 74 74 HIS CB C 74 28.498 29.959 -1.461 2
1 718 . 0 1 A 74 74 HIS N N 74 119.430 121.359 -1.929 2
1 719 . 0 1 A 75 75 ASP H H 75 8.824 8.192 0.632 2
1 720 . 0 1 A 75 75 ASP HA H 75 4.276 4.219 0.057 2
1 722 . 0 1 A 75 75 ASP CA C 75 56.474 57.351 -0.877 2
1 723 . 0 1 A 75 75 ASP CB C 75 38.100 41.024 -2.924 2
1 724 . 0 1 A 75 75 ASP N N 75 119.980 119.206 0.774 2
1 725 . 0 1 A 76 76 ALA H H 76 8.064 8.413 -0.349 2
1 726 . 0 1 A 76 76 ALA HA H 76 4.012 4.122 -0.110 2
1 730 . 0 1 A 76 76 ALA CA C 76 54.988 54.943 0.045 2
1 731 . 0 1 A 76 76 ALA CB C 76 20.747 18.244 2.503 2
1 732 . 0 1 A 76 76 ALA N N 76 125.030 121.343 3.687 2
1 733 . 0 1 A 77 77 ALA H H 77 8.659 8.190 0.469 2
1 734 . 0 1 A 77 77 ALA HA H 77 3.613 4.469 -0.856 2
1 738 . 0 1 A 77 77 ALA CA C 77 55.772 53.453 2.319 2
1 739 . 0 1 A 77 77 ALA CB C 77 18.217 18.747 -0.530 2
1 740 . 0 1 A 77 77 ALA N N 77 122.060 119.870 2.190 2
1 741 . 0 1 A 78 78 THR H H 78 7.651 7.490 0.161 2
1 742 . 0 1 A 78 78 THR HA H 78 3.762 3.951 -0.189 2
1 747 . 0 1 A 78 78 THR CA C 78 66.360 65.230 1.130 2
1 748 . 0 1 A 78 78 THR CB C 78 68.873 69.203 -0.330 2
1 750 . 0 1 A 78 78 THR N N 78 113.580 112.465 1.115 2
1 751 . 0 1 A 79 79 ALA H H 79 7.291 7.745 -0.454 2
1 752 . 0 1 A 79 79 ALA HA H 79 4.022 4.215 -0.193 2
1 756 . 0 1 A 79 79 ALA CA C 79 54.713 51.728 2.985 2
1 757 . 0 1 A 79 79 ALA CB C 79 18.695 18.766 -0.071 2
1 758 . 0 1 A 79 79 ALA N N 79 123.330 118.799 4.531 2
1 759 . 0 1 A 80 80 CYS H H 80 7.781 7.943 -0.162 2
1 760 . 0 1 A 80 80 CYS HA H 80 4.295 5.203 -0.908 2
1 762 . 0 1 A 80 80 CYS CA C 80 57.577 57.359 0.218 2
1 763 . 0 1 A 80 80 CYS CB C 80 43.192 40.269 2.923 2
1 764 . 0 1 A 80 80 CYS N N 80 115.190 114.843 0.347 2
1 765 . 0 1 A 81 81 ASP H H 81 7.323 7.683 -0.360 2
1 766 . 0 1 A 81 81 ASP HA H 81 4.743 5.040 -0.297 2
1 769 . 0 1 A 81 81 ASP CA C 81 52.419 51.792 0.627 2
1 770 . 0 1 A 81 81 ASP CB C 81 40.376 41.493 -1.117 2
1 771 . 0 1 A 81 81 ASP N N 81 121.570 120.577 0.993 2
1 772 . 0 1 A 82 82 PRO HA H 82 4.312 4.601 -0.289 2
1 777 . 0 1 A 82 82 PRO CA C 82 64.427 63.591 0.836 2
1 778 . 0 1 A 82 82 PRO CB C 82 32.685 31.532 1.153 2
1 780 . 0 1 A 83 83 GLU H H 83 8.036 8.322 -0.286 2
1 781 . 0 1 A 83 83 GLU HA H 83 4.126 4.337 -0.211 2
1 785 . 0 1 A 83 83 GLU CA C 83 56.523 57.153 -0.630 2
1 786 . 0 1 A 83 83 GLU CB C 83 28.819 29.903 -1.084 2
1 788 . 0 1 A 83 83 GLU N N 83 118.550 119.136 -0.586 2
1 789 . 0 1 A 84 84 ALA H H 84 7.695 8.104 -0.409 2
1 790 . 0 1 A 84 84 ALA HA H 84 4.083 4.218 -0.135 2
1 794 . 0 1 A 84 84 ALA CA C 84 52.963 53.531 -0.568 2
1 795 . 0 1 A 84 84 ALA CB C 84 19.516 19.143 0.373 2
1 796 . 0 1 A 84 84 ALA N N 84 123.730 121.408 2.322 2
1 797 . 0 1 A 85 85 HIS H H 85 8.078 8.121 -0.043 2
1 798 . 0 1 A 85 85 HIS HA H 85 4.529 4.685 -0.156 2
1 803 . 0 1 A 85 85 HIS CA C 85 55.480 56.191 -0.711 2
1 804 . 0 1 A 85 85 HIS CB C 85 29.115 30.553 -1.438 2
1 807 . 0 1 A 85 85 HIS N N 85 117.030 115.415 1.615 2
1 808 . 0 1 A 86 86 HIS H H 86 8.352 8.143 0.209 2
1 809 . 0 1 A 86 86 HIS HA H 86 4.596 4.656 -0.060 2
1 814 . 0 1 A 86 86 HIS CA C 86 55.496 55.718 -0.222 2
1 815 . 0 1 A 86 86 HIS CB C 86 29.414 30.905 -1.491 2
1 818 . 0 1 A 86 86 HIS N N 86 120.170 118.092 2.078 2
1 819 . 0 1 A 87 87 GLU H H 87 8.300 8.441 -0.141 2
1 820 . 0 1 A 87 87 GLU HA H 87 4.194 4.368 -0.174 2
1 823 . 0 1 A 87 87 GLU CA C 87 56.264 57.159 -0.895 2
1 824 . 0 1 A 87 87 GLU CB C 87 29.329 29.899 -0.570 2
1 826 . 0 1 A 87 87 GLU N N 87 121.850 119.433 2.417 2
1 827 . 0 1 A 88 88 HIS H H 88 8.524 8.674 -0.150 2
1 828 . 0 1 A 88 88 HIS HA H 88 4.597 4.349 0.248 2
1 832 . 0 1 A 88 88 HIS CA C 88 55.621 56.679 -1.058 2
1 833 . 0 1 A 88 88 HIS CB C 88 29.150 29.092 0.058 2
1 836 . 0 1 A 88 88 HIS N N 88 119.750 119.597 0.153 2
1 837 . 0 1 A 89 89 ASP H H 89 8.343 8.411 -0.068 2
1 838 . 0 1 A 89 89 ASP HA H 89 4.579 4.495 0.084 2
1 840 . 0 1 A 89 89 ASP CA C 89 53.805 55.177 -1.372 2
1 841 . 0 1 A 89 89 ASP CB C 89 38.560 41.177 -2.617 2
1 842 . 0 1 A 89 89 ASP N N 89 120.950 121.646 -0.696 2
stop_
save_