data_16380_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16380
_Entry.PDB_ID 2KL2
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 ALA HA H 2 4.182 4.977 -0.795 1
1 5 . 1 1 1 A 2 2 ALA CA C 2 51.510 50.616 0.894 1
1 6 . 1 1 1 A 2 2 ALA CB C 2 20.090 24.181 -4.091 1
1 7 . 1 1 1 A 3 3 HIS H H 3 9.173 8.567 0.606 1
1 8 . 1 1 1 A 3 3 HIS HA H 3 5.839 5.574 0.265 1
1 12 . 1 1 1 A 3 3 HIS CA C 3 56.960 54.562 2.398 1
1 13 . 1 1 1 A 3 3 HIS CB C 3 32.820 33.429 -0.609 1
1 15 . 1 1 1 A 3 3 HIS N N 3 118.801 115.976 2.825 1
1 16 . 1 1 1 A 4 4 ILE H H 4 9.494 9.013 0.481 1
1 17 . 1 1 1 A 4 4 ILE HA H 4 5.508 5.413 0.095 1
1 27 . 1 1 1 A 4 4 ILE CA C 4 58.300 59.226 -0.926 1
1 28 . 1 1 1 A 4 4 ILE CB C 4 41.930 42.305 -0.375 1
1 32 . 1 1 1 A 4 4 ILE N N 4 118.202 117.367 0.835 1
1 33 . 1 1 1 A 5 5 PHE H H 5 8.815 8.712 0.103 1
1 34 . 1 1 1 A 5 5 PHE HA H 5 5.789 5.479 0.310 1
1 42 . 1 1 1 A 5 5 PHE CA C 5 55.153 56.055 -0.902 1
1 43 . 1 1 1 A 5 5 PHE CB C 5 40.740 42.387 -1.647 1
1 47 . 1 1 1 A 5 5 PHE N N 5 126.107 123.661 2.446 1
1 48 . 1 1 1 A 6 6 VAL H H 6 9.078 8.448 0.630 1
1 49 . 1 1 1 A 6 6 VAL HA H 6 4.357 4.369 -0.012 1
1 57 . 1 1 1 A 6 6 VAL CA C 6 59.157 60.101 -0.944 1
1 58 . 1 1 1 A 6 6 VAL CB C 6 33.473 33.646 -0.173 1
1 61 . 1 1 1 A 6 6 VAL N N 6 118.658 127.485 -8.827 1
1 62 . 1 1 1 A 7 7 TYR H H 7 6.878 8.515 -1.637 1
1 63 . 1 1 1 A 7 7 TYR HA H 7 4.170 4.237 -0.067 1
1 66 . 1 1 1 A 7 7 TYR CB C 7 36.608 37.937 -1.329 1
1 67 . 1 1 1 A 7 7 TYR N N 7 116.860 128.512 -11.652 1
1 68 . 1 1 1 A 8 8 GLY HA2 H 8 4.195 4.077 0.118 1
1 69 . 1 1 1 A 8 8 GLY HA3 H 8 2.933 4.168 -1.235 1
1 70 . 1 1 1 A 8 8 GLY CA C 8 46.169 45.285 0.884 1
1 71 . 1 1 1 A 9 9 THR H H 9 7.618 7.520 0.098 1
1 72 . 1 1 1 A 9 9 THR HA H 9 3.831 4.130 -0.299 1
1 77 . 1 1 1 A 9 9 THR CA C 9 64.570 64.061 0.509 1
1 78 . 1 1 1 A 9 9 THR CB C 9 68.494 68.683 -0.189 1
1 80 . 1 1 1 A 9 9 THR N N 9 115.934 112.911 3.023 1
1 81 . 1 1 1 A 10 10 LEU H H 10 7.561 7.424 0.137 1
1 82 . 1 1 1 A 10 10 LEU HA H 10 3.673 4.495 -0.822 1
1 92 . 1 1 1 A 10 10 LEU CA C 10 55.950 54.385 1.565 1
1 93 . 1 1 1 A 10 10 LEU CB C 10 41.610 42.741 -1.131 1
1 97 . 1 1 1 A 10 10 LEU N N 10 120.151 120.465 -0.314 1
1 98 . 1 1 1 A 11 11 LYS H H 11 6.738 8.180 -1.442 1
1 99 . 1 1 1 A 11 11 LYS HA H 11 4.007 4.476 -0.469 1
1 103 . 1 1 1 A 11 11 LYS CA C 11 57.390 57.738 -0.348 1
1 104 . 1 1 1 A 11 11 LYS CB C 11 34.322 33.670 0.652 1
1 106 . 1 1 1 A 11 11 LYS N N 11 116.295 121.154 -4.859 1
1 107 . 1 1 1 A 12 12 ARG H H 12 9.432 7.944 1.488 1
1 108 . 1 1 1 A 12 12 ARG HA H 12 2.029 4.146 -2.117 1
1 115 . 1 1 1 A 12 12 ARG CA C 12 58.420 59.020 -0.600 1
1 116 . 1 1 1 A 12 12 ARG CB C 12 29.190 30.980 -1.790 1
1 119 . 1 1 1 A 12 12 ARG N N 12 120.863 119.213 1.650 1
1 120 . 1 1 1 A 13 13 GLY H H 13 8.048 7.338 0.710 1
1 121 . 1 1 1 A 13 13 GLY HA2 H 13 3.990 4.093 -0.103 1
1 122 . 1 1 1 A 13 13 GLY HA3 H 13 3.538 4.095 -0.557 1
1 123 . 1 1 1 A 13 13 GLY CA C 13 45.490 45.768 -0.278 1
1 124 . 1 1 1 A 13 13 GLY N N 13 111.120 106.426 4.694 1
1 125 . 1 1 1 A 14 14 GLN H H 14 7.904 8.431 -0.527 1
1 126 . 1 1 1 A 14 14 GLN HA H 14 4.682 4.905 -0.223 1
1 133 . 1 1 1 A 14 14 GLN CA C 14 53.440 52.745 0.695 1
1 134 . 1 1 1 A 14 14 GLN CB C 14 27.115 29.717 -2.602 1
1 136 . 1 1 1 A 14 14 GLN N N 14 117.811 120.478 -2.667 1
1 138 . 1 1 1 A 15 15 PRO HA H 15 4.342 4.300 0.042 1
1 145 . 1 1 1 A 15 15 PRO CA C 15 66.870 65.503 1.367 1
1 146 . 1 1 1 A 15 15 PRO CB C 15 34.060 31.826 2.234 1
1 149 . 1 1 1 A 16 16 ASN H H 16 8.287 8.469 -0.182 1
1 150 . 1 1 1 A 16 16 ASN HA H 16 5.356 4.568 0.788 1
1 155 . 1 1 1 A 16 16 ASN CA C 16 52.230 55.785 -3.555 1
1 156 . 1 1 1 A 16 16 ASN CB C 16 39.030 37.957 1.073 1
1 157 . 1 1 1 A 16 16 ASN N N 16 110.638 115.767 -5.129 1
1 159 . 1 1 1 A 17 17 HIS H H 17 7.819 8.276 -0.457 1
1 160 . 1 1 1 A 17 17 HIS HA H 17 3.815 4.066 -0.251 1
1 164 . 1 1 1 A 17 17 HIS CA C 17 60.140 60.166 -0.026 1
1 165 . 1 1 1 A 17 17 HIS CB C 17 27.680 30.080 -2.400 1
1 167 . 1 1 1 A 17 17 HIS N N 17 121.058 121.398 -0.340 1
1 168 . 1 1 1 A 18 18 LYS H H 18 8.326 8.217 0.109 1
1 169 . 1 1 1 A 18 18 LYS HA H 18 3.695 4.061 -0.366 1
1 175 . 1 1 1 A 18 18 LYS CA C 18 58.890 58.798 0.092 1
1 176 . 1 1 1 A 18 18 LYS CB C 18 31.070 31.764 -0.694 1
1 180 . 1 1 1 A 18 18 LYS N N 18 112.812 117.285 -4.473 1
1 181 . 1 1 1 A 19 19 VAL H H 19 7.373 7.607 -0.234 1
1 182 . 1 1 1 A 19 19 VAL HA H 19 3.816 3.545 0.271 1
1 190 . 1 1 1 A 19 19 VAL CA C 19 64.960 65.289 -0.329 1
1 191 . 1 1 1 A 19 19 VAL CB C 19 30.960 30.706 0.254 1
1 194 . 1 1 1 A 19 19 VAL N N 19 117.691 116.153 1.538 1
1 195 . 1 1 1 A 20 20 MET H H 20 7.329 7.854 -0.525 1
1 196 . 1 1 1 A 20 20 MET HA H 20 3.951 4.208 -0.257 1
1 204 . 1 1 1 A 20 20 MET CA C 20 55.560 56.375 -0.815 1
1 205 . 1 1 1 A 20 20 MET CB C 20 31.460 31.077 0.383 1
1 208 . 1 1 1 A 20 20 MET N N 20 114.870 118.614 -3.744 1
1 209 . 1 1 1 A 21 21 LEU H H 21 6.718 7.672 -0.954 1
1 210 . 1 1 1 A 21 21 LEU HA H 21 4.091 4.440 -0.349 1
1 220 . 1 1 1 A 21 21 LEU CA C 21 54.140 54.079 0.061 1
1 221 . 1 1 1 A 21 21 LEU CB C 21 42.310 41.380 0.930 1
1 225 . 1 1 1 A 21 21 LEU N N 21 116.021 118.251 -2.230 1
1 226 . 1 1 1 A 22 22 ASP H H 22 6.399 7.177 -0.778 1
1 227 . 1 1 1 A 22 22 ASP HA H 22 4.288 4.766 -0.478 1
1 229 . 1 1 1 A 22 22 ASP CA C 22 52.776 52.804 -0.028 1
1 230 . 1 1 1 A 22 22 ASP CB C 22 40.180 41.974 -1.794 1
1 231 . 1 1 1 A 22 22 ASP N N 22 117.972 119.450 -1.478 1
1 232 . 1 1 1 A 23 23 HIS H H 23 8.601 8.826 -0.225 1
1 233 . 1 1 1 A 23 23 HIS HA H 23 4.848 4.196 0.652 1
1 237 . 1 1 1 A 23 23 HIS CA C 23 55.800 59.404 -3.604 1
1 238 . 1 1 1 A 23 23 HIS CB C 23 27.860 30.110 -2.250 1
1 240 . 1 1 1 A 23 23 HIS N N 23 123.395 126.108 -2.713 1
1 241 . 1 1 1 A 24 24 SER H H 24 8.526 8.047 0.479 1
1 242 . 1 1 1 A 24 24 SER HA H 24 4.105 3.990 0.115 1
1 244 . 1 1 1 A 24 24 SER CA C 24 60.870 61.332 -0.462 1
1 245 . 1 1 1 A 24 24 SER CB C 24 62.510 63.031 -0.521 1
1 246 . 1 1 1 A 24 24 SER N N 24 117.035 115.238 1.797 1
1 247 . 1 1 1 A 25 25 HIS H H 25 7.450 7.651 -0.201 1
1 248 . 1 1 1 A 25 25 HIS HA H 25 4.494 4.395 0.099 1
1 252 . 1 1 1 A 25 25 HIS CA C 25 53.900 55.867 -1.967 1
1 253 . 1 1 1 A 25 25 HIS CB C 25 28.320 29.780 -1.460 1
1 255 . 1 1 1 A 25 25 HIS N N 25 117.560 117.067 0.493 1
1 256 . 1 1 1 A 26 26 GLY H H 26 6.926 7.205 -0.279 1
1 257 . 1 1 1 A 26 26 GLY HA2 H 26 3.587 3.863 -0.276 1
1 258 . 1 1 1 A 26 26 GLY HA3 H 26 4.362 3.963 0.399 1
1 259 . 1 1 1 A 26 26 GLY CA C 26 43.730 43.992 -0.262 1
1 260 . 1 1 1 A 26 26 GLY N N 26 103.120 106.573 -3.453 1
1 261 . 1 1 1 A 27 27 LEU H H 27 8.579 8.855 -0.276 1
1 262 . 1 1 1 A 27 27 LEU HA H 27 4.327 4.794 -0.467 1
1 271 . 1 1 1 A 27 27 LEU CA C 27 54.520 54.827 -0.307 1
1 272 . 1 1 1 A 27 27 LEU CB C 27 44.250 43.107 1.143 1
1 276 . 1 1 1 A 27 27 LEU N N 27 121.940 121.540 0.400 1
1 277 . 1 1 1 A 28 28 ALA H H 28 7.776 8.675 -0.899 1
1 278 . 1 1 1 A 28 28 ALA HA H 28 5.231 5.551 -0.320 1
1 282 . 1 1 1 A 28 28 ALA CA C 28 50.990 50.441 0.549 1
1 283 . 1 1 1 A 28 28 ALA CB C 28 22.580 22.726 -0.146 1
1 284 . 1 1 1 A 28 28 ALA N N 28 123.020 128.517 -5.497 1
1 285 . 1 1 1 A 29 29 ALA H H 29 9.231 8.458 0.773 1
1 286 . 1 1 1 A 29 29 ALA HA H 29 4.857 5.173 -0.316 1
1 290 . 1 1 1 A 29 29 ALA CA C 29 50.661 50.925 -0.264 1
1 291 . 1 1 1 A 29 29 ALA CB C 29 21.140 23.047 -1.907 1
1 292 . 1 1 1 A 29 29 ALA N N 29 125.760 121.059 4.701 1
1 293 . 1 1 1 A 30 30 PHE H H 30 9.083 9.123 -0.040 1
1 294 . 1 1 1 A 30 30 PHE HA H 30 3.397 4.719 -1.322 1
1 301 . 1 1 1 A 30 30 PHE CA C 30 59.895 57.174 2.721 1
1 302 . 1 1 1 A 30 30 PHE CB C 30 38.810 38.807 0.003 1
1 305 . 1 1 1 A 30 30 PHE N N 30 126.590 124.000 2.590 1
1 306 . 1 1 1 A 31 31 ARG H H 31 8.102 8.597 -0.495 1
1 307 . 1 1 1 A 31 31 ARG HA H 31 3.941 4.159 -0.218 1
1 314 . 1 1 1 A 31 31 ARG CA C 31 53.120 54.502 -1.382 1
1 315 . 1 1 1 A 31 31 ARG CB C 31 31.665 29.683 1.982 1
1 318 . 1 1 1 A 31 31 ARG N N 31 125.007 127.737 -2.730 1
1 320 . 1 1 1 A 32 32 GLY H H 32 5.465 7.000 -1.535 1
1 321 . 1 1 1 A 32 32 GLY HA2 H 32 3.264 3.450 -0.186 1
1 322 . 1 1 1 A 32 32 GLY HA3 H 32 4.670 3.650 1.020 1
1 323 . 1 1 1 A 32 32 GLY CA C 32 45.150 44.041 1.109 1
1 324 . 1 1 1 A 32 32 GLY N N 32 101.400 112.282 -10.882 1
1 325 . 1 1 1 A 33 33 ARG H H 33 8.345 8.189 0.156 1
1 326 . 1 1 1 A 33 33 ARG HA H 33 5.158 5.102 0.056 1
1 332 . 1 1 1 A 33 33 ARG CA C 33 54.924 54.067 0.857 1
1 333 . 1 1 1 A 33 33 ARG CB C 33 34.180 34.729 -0.549 1
1 336 . 1 1 1 A 33 33 ARG N N 33 116.822 116.640 0.182 1
1 338 . 1 1 1 A 34 34 GLY H H 34 8.549 8.387 0.162 1
1 339 . 1 1 1 A 34 34 GLY HA2 H 34 5.154 4.295 0.859 1
1 340 . 1 1 1 A 34 34 GLY HA3 H 34 3.752 4.330 -0.578 1
1 341 . 1 1 1 A 34 34 GLY CA C 34 45.620 45.858 -0.238 1
1 342 . 1 1 1 A 34 34 GLY N N 34 107.400 106.053 1.347 1
1 343 . 1 1 1 A 35 35 CYS H H 35 8.803 8.415 0.388 1
1 344 . 1 1 1 A 35 35 CYS HA H 35 5.893 5.592 0.301 1
1 347 . 1 1 1 A 35 35 CYS CA C 35 55.420 57.233 -1.813 1
1 348 . 1 1 1 A 35 35 CYS CB C 35 30.960 31.320 -0.360 1
1 349 . 1 1 1 A 35 35 CYS N N 35 117.781 117.500 0.281 1
1 350 . 1 1 1 A 36 36 THR H H 36 9.033 8.883 0.150 1
1 351 . 1 1 1 A 36 36 THR HA H 36 3.835 4.465 -0.630 1
1 356 . 1 1 1 A 36 36 THR CA C 36 64.160 61.075 3.085 1
1 357 . 1 1 1 A 36 36 THR CB C 36 68.200 68.344 -0.144 1
1 359 . 1 1 1 A 36 36 THR N N 36 117.973 114.439 3.534 1
1 360 . 1 1 1 A 37 37 VAL H H 37 7.545 7.844 -0.299 1
1 361 . 1 1 1 A 37 37 VAL HA H 37 3.709 3.744 -0.035 1
1 369 . 1 1 1 A 37 37 VAL CA C 37 65.740 65.287 0.453 1
1 370 . 1 1 1 A 37 37 VAL CB C 37 32.410 31.419 0.991 1
1 373 . 1 1 1 A 37 37 VAL N N 37 121.706 122.532 -0.826 1
1 374 . 1 1 1 A 38 38 GLU H H 38 8.540 7.848 0.692 1
1 375 . 1 1 1 A 38 38 GLU HA H 38 4.264 4.123 0.141 1
1 380 . 1 1 1 A 38 38 GLU CA C 38 54.260 56.609 -2.349 1
1 381 . 1 1 1 A 38 38 GLU CB C 38 30.770 30.248 0.522 1
1 383 . 1 1 1 A 38 38 GLU N N 38 119.219 123.634 -4.415 1
1 384 . 1 1 1 A 39 39 SER H H 39 8.692 8.373 0.319 1
1 385 . 1 1 1 A 39 39 SER HA H 39 4.035 4.570 -0.535 1
1 388 . 1 1 1 A 39 39 SER CA C 39 57.370 59.450 -2.080 1
1 389 . 1 1 1 A 39 39 SER CB C 39 63.760 63.343 0.417 1
1 390 . 1 1 1 A 39 39 SER N N 39 118.941 121.300 -2.359 1
1 391 . 1 1 1 A 40 40 PHE H H 40 8.302 8.832 -0.530 1
1 392 . 1 1 1 A 40 40 PHE HA H 40 4.986 4.708 0.278 1
1 400 . 1 1 1 A 40 40 PHE CA C 40 57.320 55.742 1.578 1
1 401 . 1 1 1 A 40 40 PHE CB C 40 44.292 42.407 1.885 1
1 405 . 1 1 1 A 40 40 PHE N N 40 119.300 123.904 -4.604 1
1 406 . 1 1 1 A 41 41 PRO HA H 41 3.828 4.007 -0.179 1
1 413 . 1 1 1 A 41 41 PRO CA C 41 62.270 61.965 0.305 1
1 414 . 1 1 1 A 41 41 PRO CB C 41 30.790 29.949 0.841 1
1 417 . 1 1 1 A 42 42 LEU H H 42 7.964 8.442 -0.478 1
1 418 . 1 1 1 A 42 42 LEU HA H 42 5.352 4.822 0.530 1
1 427 . 1 1 1 A 42 42 LEU CA C 42 53.830 54.454 -0.624 1
1 428 . 1 1 1 A 42 42 LEU CB C 42 42.380 43.170 -0.790 1
1 431 . 1 1 1 A 42 42 LEU N N 42 129.948 123.919 6.029 1
1 432 . 1 1 1 A 43 43 VAL H H 43 8.607 8.893 -0.286 1
1 433 . 1 1 1 A 43 43 VAL HA H 43 5.296 5.019 0.277 1
1 441 . 1 1 1 A 43 43 VAL CA C 43 58.040 59.289 -1.249 1
1 442 . 1 1 1 A 43 43 VAL CB C 43 35.220 35.407 -0.187 1
1 445 . 1 1 1 A 43 43 VAL N N 43 117.190 120.833 -3.643 1
1 446 . 1 1 1 A 44 44 ILE H H 44 9.056 8.633 0.423 1
1 447 . 1 1 1 A 44 44 ILE HA H 44 4.426 4.700 -0.274 1
1 457 . 1 1 1 A 44 44 ILE CA C 44 61.156 60.370 0.786 1
1 458 . 1 1 1 A 44 44 ILE CB C 44 38.544 38.576 -0.032 1
1 462 . 1 1 1 A 44 44 ILE N N 44 122.963 124.738 -1.775 1
1 463 . 1 1 1 A 45 45 ALA H H 45 8.701 8.115 0.586 1
1 464 . 1 1 1 A 45 45 ALA HA H 45 4.626 4.646 -0.020 1
1 468 . 1 1 1 A 45 45 ALA CA C 45 51.430 50.794 0.636 1
1 469 . 1 1 1 A 45 45 ALA CB C 45 21.670 20.877 0.793 1
1 470 . 1 1 1 A 45 45 ALA N N 45 126.347 128.165 -1.818 1
1 471 . 1 1 1 A 46 46 GLY H H 46 8.486 8.719 -0.233 1
1 472 . 1 1 1 A 46 46 GLY HA2 H 46 4.587 4.268 0.319 1
1 473 . 1 1 1 A 46 46 GLY HA3 H 46 4.084 4.274 -0.190 1
1 474 . 1 1 1 A 46 46 GLY CA C 46 44.500 45.124 -0.624 1
1 475 . 1 1 1 A 46 46 GLY N N 46 108.262 106.573 1.689 1
1 476 . 1 1 1 A 47 47 GLU H H 47 8.938 8.865 0.073 1
1 477 . 1 1 1 A 47 47 GLU HA H 47 4.003 4.400 -0.397 1
1 480 . 1 1 1 A 47 47 GLU CA C 47 58.820 57.705 1.115 1
1 481 . 1 1 1 A 47 47 GLU CB C 47 29.500 30.183 -0.683 1
1 482 . 1 1 1 A 47 47 GLU N N 47 118.010 120.677 -2.667 1
1 483 . 1 1 1 A 48 48 HIS H H 48 8.742 7.881 0.861 1
1 484 . 1 1 1 A 48 48 HIS HA H 48 4.704 4.666 0.038 1
1 488 . 1 1 1 A 48 48 HIS CA C 48 55.130 55.837 -0.707 1
1 489 . 1 1 1 A 48 48 HIS CB C 48 29.110 30.026 -0.916 1
1 491 . 1 1 1 A 48 48 HIS N N 48 115.306 115.049 0.257 1
1 492 . 1 1 1 A 49 49 ASN H H 49 7.810 7.895 -0.085 1
1 493 . 1 1 1 A 49 49 ASN HA H 49 3.878 4.223 -0.345 1
1 498 . 1 1 1 A 49 49 ASN CA C 49 53.876 54.376 -0.500 1
1 499 . 1 1 1 A 49 49 ASN CB C 49 36.030 36.691 -0.661 1
1 500 . 1 1 1 A 49 49 ASN N N 49 114.919 114.158 0.761 1
1 502 . 1 1 1 A 50 50 ILE H H 50 7.046 8.091 -1.045 1
1 503 . 1 1 1 A 50 50 ILE HA H 50 4.022 4.321 -0.299 1
1 513 . 1 1 1 A 50 50 ILE CA C 50 59.430 57.978 1.452 1
1 514 . 1 1 1 A 50 50 ILE CB C 50 41.326 38.346 2.980 1
1 518 . 1 1 1 A 50 50 ILE N N 50 120.995 119.782 1.213 1
1 519 . 1 1 1 A 51 51 PRO HA H 51 5.194 4.832 0.362 1
1 521 . 1 1 1 A 51 51 PRO CA C 51 60.560 62.407 -1.847 1
1 522 . 1 1 1 A 51 51 PRO CB C 51 31.841 32.269 -0.428 1
1 523 . 1 1 1 A 52 52 TRP H H 52 9.564 8.497 1.067 1
1 524 . 1 1 1 A 52 52 TRP HA H 52 4.805 5.322 -0.517 1
1 532 . 1 1 1 A 52 52 TRP CA C 52 56.550 55.652 0.898 1
1 533 . 1 1 1 A 52 52 TRP CB C 52 32.300 33.549 -1.249 1
1 539 . 1 1 1 A 52 52 TRP N N 52 123.070 120.723 2.347 1
1 541 . 1 1 1 A 53 53 LEU H H 53 7.227 8.989 -1.762 1
1 542 . 1 1 1 A 53 53 LEU HA H 53 4.863 5.140 -0.277 1
1 552 . 1 1 1 A 53 53 LEU CA C 53 53.790 53.735 0.055 1
1 553 . 1 1 1 A 53 53 LEU CB C 53 42.250 44.296 -2.046 1
1 557 . 1 1 1 A 53 53 LEU N N 53 124.700 124.767 -0.067 1
1 558 . 1 1 1 A 54 54 LEU H H 54 9.021 8.608 0.413 1
1 559 . 1 1 1 A 54 54 LEU HA H 54 4.618 4.686 -0.068 1
1 569 . 1 1 1 A 54 54 LEU CA C 54 54.030 54.935 -0.905 1
1 570 . 1 1 1 A 54 54 LEU CB C 54 40.360 42.212 -1.852 1
1 574 . 1 1 1 A 54 54 LEU N N 54 126.893 128.724 -1.831 1
1 575 . 1 1 1 A 55 55 TYR H H 55 8.884 9.084 -0.200 1
1 576 . 1 1 1 A 55 55 TYR HA H 55 4.562 4.792 -0.230 1
1 583 . 1 1 1 A 55 55 TYR CA C 55 58.420 56.535 1.885 1
1 584 . 1 1 1 A 55 55 TYR CB C 55 36.180 38.216 -2.036 1
1 587 . 1 1 1 A 55 55 TYR N N 55 123.430 125.416 -1.986 1
1 588 . 1 1 1 A 56 56 LEU H H 56 8.192 8.970 -0.778 1
1 589 . 1 1 1 A 56 56 LEU HA H 56 4.530 4.921 -0.391 1
1 598 . 1 1 1 A 56 56 LEU CA C 56 51.720 51.734 -0.014 1
1 599 . 1 1 1 A 56 56 LEU CB C 56 43.260 43.580 -0.320 1
1 602 . 1 1 1 A 56 56 LEU N N 56 130.832 128.595 2.237 1
1 603 . 1 1 1 A 57 57 PRO HA H 57 3.779 3.531 0.248 1
1 610 . 1 1 1 A 57 57 PRO CA C 57 62.240 63.261 -1.021 1
1 611 . 1 1 1 A 57 57 PRO CB C 57 31.130 31.188 -0.058 1
1 614 . 1 1 1 A 58 58 GLY H H 58 8.908 8.183 0.725 1
1 615 . 1 1 1 A 58 58 GLY HA2 H 58 4.027 3.806 0.221 1
1 616 . 1 1 1 A 58 58 GLY HA3 H 58 3.433 3.841 -0.408 1
1 617 . 1 1 1 A 58 58 GLY CA C 58 44.860 45.514 -0.654 1
1 618 . 1 1 1 A 58 58 GLY N N 58 112.351 111.828 0.523 1
1 619 . 1 1 1 A 59 59 LYS H H 59 7.214 7.256 -0.042 1
1 620 . 1 1 1 A 59 59 LYS HA H 59 4.386 4.810 -0.424 1
1 629 . 1 1 1 A 59 59 LYS CA C 59 53.760 54.761 -1.001 1
1 630 . 1 1 1 A 59 59 LYS CB C 59 34.590 34.426 0.164 1
1 634 . 1 1 1 A 59 59 LYS N N 59 121.458 120.893 0.565 1
1 635 . 1 1 1 A 60 60 GLY H H 60 8.312 8.067 0.245 1
1 636 . 1 1 1 A 60 60 GLY HA2 H 60 3.379 3.349 0.030 1
1 637 . 1 1 1 A 60 60 GLY HA3 H 60 3.229 3.649 -0.420 1
1 638 . 1 1 1 A 60 60 GLY CA C 60 45.350 43.830 1.520 1
1 639 . 1 1 1 A 60 60 GLY N N 60 103.990 112.956 -8.966 1
1 640 . 1 1 1 A 61 61 HIS H H 61 7.880 8.059 -0.179 1
1 641 . 1 1 1 A 61 61 HIS HA H 61 4.868 5.292 -0.424 1
1 645 . 1 1 1 A 61 61 HIS CA C 61 53.920 54.691 -0.771 1
1 646 . 1 1 1 A 61 61 HIS CB C 61 33.020 34.068 -1.048 1
1 648 . 1 1 1 A 61 61 HIS N N 61 121.221 119.762 1.459 1
1 649 . 1 1 1 A 62 62 CYS H H 62 8.760 8.662 0.098 1
1 650 . 1 1 1 A 62 62 CYS HA H 62 4.248 5.053 -0.805 1
1 653 . 1 1 1 A 62 62 CYS CA C 62 61.730 57.450 4.280 1
1 654 . 1 1 1 A 62 62 CYS CB C 62 26.560 27.673 -1.113 1
1 655 . 1 1 1 A 62 62 CYS N N 62 121.842 120.750 1.092 1
1 656 . 1 1 1 A 63 63 VAL H H 63 8.109 8.706 -0.597 1
1 657 . 1 1 1 A 63 63 VAL HA H 63 4.869 4.582 0.287 1
1 665 . 1 1 1 A 63 63 VAL CA C 63 62.210 63.183 -0.973 1
1 666 . 1 1 1 A 63 63 VAL CB C 63 34.780 31.935 2.845 1
1 669 . 1 1 1 A 63 63 VAL N N 63 127.029 126.368 0.661 1
1 670 . 1 1 1 A 64 64 THR H H 64 8.453 8.971 -0.518 1
1 671 . 1 1 1 A 64 64 THR HA H 64 5.349 4.671 0.678 1
1 676 . 1 1 1 A 64 64 THR CA C 64 61.100 61.782 -0.682 1
1 677 . 1 1 1 A 64 64 THR CB C 64 70.790 70.300 0.490 1
1 679 . 1 1 1 A 64 64 THR N N 64 116.830 120.026 -3.196 1
1 680 . 1 1 1 A 65 65 GLY H H 65 8.663 8.367 0.296 1
1 681 . 1 1 1 A 65 65 GLY HA2 H 65 4.085 3.905 0.180 1
1 682 . 1 1 1 A 65 65 GLY HA3 H 65 3.480 4.163 -0.683 1
1 683 . 1 1 1 A 65 65 GLY CA C 65 46.570 46.081 0.489 1
1 684 . 1 1 1 A 65 65 GLY N N 65 107.680 108.936 -1.256 1
1 685 . 1 1 1 A 66 66 GLU H H 66 8.574 7.853 0.721 1
1 686 . 1 1 1 A 66 66 GLU HA H 66 5.150 5.122 0.028 1
1 689 . 1 1 1 A 66 66 GLU CA C 66 54.450 54.440 0.010 1
1 690 . 1 1 1 A 66 66 GLU CB C 66 37.328 34.086 3.242 1
1 691 . 1 1 1 A 66 66 GLU N N 66 120.921 119.292 1.629 1
1 692 . 1 1 1 A 67 67 ILE H H 67 8.623 8.119 0.504 1
1 693 . 1 1 1 A 67 67 ILE HA H 67 5.149 4.859 0.290 1
1 703 . 1 1 1 A 67 67 ILE CA C 67 60.180 60.207 -0.027 1
1 704 . 1 1 1 A 67 67 ILE CB C 67 40.210 39.934 0.276 1
1 708 . 1 1 1 A 67 67 ILE N N 67 121.340 121.929 -0.589 1
1 709 . 1 1 1 A 68 68 TYR H H 68 9.196 8.916 0.280 1
1 710 . 1 1 1 A 68 68 TYR HA H 68 5.001 5.259 -0.258 1
1 717 . 1 1 1 A 68 68 TYR CA C 68 56.270 57.396 -1.126 1
1 718 . 1 1 1 A 68 68 TYR CB C 68 41.480 40.501 0.979 1
1 721 . 1 1 1 A 68 68 TYR N N 68 123.650 126.743 -3.093 1
1 722 . 1 1 1 A 69 69 GLU H H 69 9.302 9.157 0.145 1
1 723 . 1 1 1 A 69 69 GLU HA H 69 5.066 4.848 0.218 1
1 728 . 1 1 1 A 69 69 GLU CA C 69 55.180 57.076 -1.896 1
1 729 . 1 1 1 A 69 69 GLU CB C 69 31.420 30.817 0.603 1
1 731 . 1 1 1 A 69 69 GLU N N 69 124.090 124.805 -0.715 1
1 732 . 1 1 1 A 70 70 VAL H H 70 8.908 8.891 0.017 1
1 733 . 1 1 1 A 70 70 VAL HA H 70 5.556 5.095 0.461 1
1 741 . 1 1 1 A 70 70 VAL CA C 70 57.780 58.831 -1.051 1
1 742 . 1 1 1 A 70 70 VAL CB C 70 35.400 35.981 -0.581 1
1 745 . 1 1 1 A 70 70 VAL N N 70 119.540 119.792 -0.252 1
1 746 . 1 1 1 A 71 71 ASP H H 71 7.939 8.221 -0.282 1
1 747 . 1 1 1 A 71 71 ASP HA H 71 4.909 4.942 -0.033 1
1 750 . 1 1 1 A 71 71 ASP CA C 71 51.240 52.655 -1.415 1
1 751 . 1 1 1 A 71 71 ASP CB C 71 42.210 41.283 0.927 1
1 752 . 1 1 1 A 71 71 ASP N N 71 120.720 122.667 -1.947 1
1 753 . 1 1 1 A 72 72 GLU H H 72 8.364 8.650 -0.286 1
1 754 . 1 1 1 A 72 72 GLU HA H 72 3.869 3.959 -0.090 1
1 757 . 1 1 1 A 72 72 GLU CA C 72 59.775 59.672 0.103 1
1 758 . 1 1 1 A 72 72 GLU CB C 72 29.140 29.263 -0.123 1
1 760 . 1 1 1 A 72 72 GLU N N 72 117.910 117.990 -0.080 1
1 761 . 1 1 1 A 73 73 GLN H H 73 7.960 7.948 0.012 1
1 762 . 1 1 1 A 73 73 GLN HA H 73 3.899 4.127 -0.228 1
1 767 . 1 1 1 A 73 73 GLN CA C 73 59.570 58.542 1.028 1
1 768 . 1 1 1 A 73 73 GLN CB C 73 27.810 28.623 -0.813 1
1 770 . 1 1 1 A 73 73 GLN N N 73 119.617 120.075 -0.458 1
1 772 . 1 1 1 A 74 74 MET H H 74 8.489 8.449 0.040 1
1 773 . 1 1 1 A 74 74 MET HA H 74 4.766 4.395 0.371 1
1 780 . 1 1 1 A 74 74 MET CA C 74 56.790 58.464 -1.674 1
1 781 . 1 1 1 A 74 74 MET CB C 74 31.900 32.131 -0.231 1
1 784 . 1 1 1 A 74 74 MET N N 74 121.800 119.216 2.584 1
1 785 . 1 1 1 A 75 75 LEU H H 75 8.162 8.054 0.108 1
1 786 . 1 1 1 A 75 75 LEU HA H 75 3.897 4.125 -0.228 1
1 796 . 1 1 1 A 75 75 LEU CA C 75 58.230 57.772 0.458 1
1 797 . 1 1 1 A 75 75 LEU CB C 75 42.160 41.240 0.920 1
1 801 . 1 1 1 A 75 75 LEU N N 75 120.230 121.442 -1.212 1
1 802 . 1 1 1 A 76 76 ARG H H 76 7.824 7.745 0.079 1
1 803 . 1 1 1 A 76 76 ARG HA H 76 3.952 4.044 -0.092 1
1 811 . 1 1 1 A 76 76 ARG CA C 76 59.270 58.791 0.479 1
1 812 . 1 1 1 A 76 76 ARG CB C 76 29.930 30.229 -0.299 1
1 815 . 1 1 1 A 76 76 ARG N N 76 116.540 120.181 -3.641 1
1 817 . 1 1 1 A 77 77 PHE H H 77 8.137 8.660 -0.523 1
1 818 . 1 1 1 A 77 77 PHE HA H 77 4.085 4.228 -0.143 1
1 825 . 1 1 1 A 77 77 PHE CA C 77 61.980 61.307 0.673 1
1 826 . 1 1 1 A 77 77 PHE CB C 77 38.530 39.316 -0.786 1
1 829 . 1 1 1 A 77 77 PHE N N 77 120.650 122.016 -1.366 1
1 830 . 1 1 1 A 78 78 LEU H H 78 9.071 8.556 0.515 1
1 831 . 1 1 1 A 78 78 LEU HA H 78 3.629 3.754 -0.125 1
1 841 . 1 1 1 A 78 78 LEU CA C 78 57.730 57.194 0.536 1
1 842 . 1 1 1 A 78 78 LEU CB C 78 41.420 41.450 -0.030 1
1 846 . 1 1 1 A 78 78 LEU N N 78 122.360 119.607 2.753 1
1 847 . 1 1 1 A 79 79 ASP H H 79 8.506 7.915 0.591 1
1 848 . 1 1 1 A 79 79 ASP HA H 79 4.320 4.762 -0.442 1
1 851 . 1 1 1 A 79 79 ASP CA C 79 57.190 54.783 2.407 1
1 852 . 1 1 1 A 79 79 ASP CB C 79 39.420 40.640 -1.220 1
1 853 . 1 1 1 A 79 79 ASP N N 79 120.070 118.734 1.336 1
1 854 . 1 1 1 A 80 80 ASP H H 80 7.154 7.883 -0.729 1
1 855 . 1 1 1 A 80 80 ASP HA H 80 4.501 4.920 -0.419 1
1 858 . 1 1 1 A 80 80 ASP CA C 80 56.700 55.065 1.635 1
1 859 . 1 1 1 A 80 80 ASP CB C 80 40.660 44.188 -3.528 1
1 860 . 1 1 1 A 80 80 ASP N N 80 118.890 120.477 -1.587 1
1 861 . 1 1 1 A 81 81 PHE H H 81 8.791 7.960 0.831 1
1 862 . 1 1 1 A 81 81 PHE HA H 81 3.659 3.857 -0.198 1
1 867 . 1 1 1 A 81 81 PHE CA C 81 61.640 60.640 1.000 1
1 868 . 1 1 1 A 81 81 PHE CB C 81 40.210 38.750 1.460 1
1 870 . 1 1 1 A 81 81 PHE N N 81 125.745 120.281 5.464 1
1 871 . 1 1 1 A 82 82 GLU H H 82 8.209 7.355 0.854 1
1 872 . 1 1 1 A 82 82 GLU HA H 82 3.956 4.062 -0.106 1
1 875 . 1 1 1 A 82 82 GLU CA C 82 55.060 55.843 -0.783 1
1 876 . 1 1 1 A 82 82 GLU CB C 82 28.910 29.067 -0.157 1
1 878 . 1 1 1 A 82 82 GLU N N 82 115.707 116.775 -1.068 1
1 879 . 1 1 1 A 83 83 ASP H H 83 7.615 7.980 -0.365 1
1 880 . 1 1 1 A 83 83 ASP HA H 83 4.236 4.159 0.077 1
1 883 . 1 1 1 A 83 83 ASP CA C 83 54.370 55.518 -1.148 1
1 884 . 1 1 1 A 83 83 ASP CB C 83 39.400 40.202 -0.802 1
1 885 . 1 1 1 A 83 83 ASP N N 83 116.517 118.657 -2.140 1
1 886 . 1 1 1 A 84 84 CYS H H 84 8.361 7.684 0.677 1
1 887 . 1 1 1 A 84 84 CYS HA H 84 5.522 4.738 0.784 1
1 890 . 1 1 1 A 84 84 CYS CA C 84 56.617 57.794 -1.177 1
1 891 . 1 1 1 A 84 84 CYS CB C 84 27.651 27.243 0.408 1
1 892 . 1 1 1 A 84 84 CYS N N 84 119.420 119.209 0.211 1
1 893 . 1 1 1 A 85 85 PRO HA H 85 5.704 4.792 0.912 1
1 900 . 1 1 1 A 85 85 PRO CA C 85 64.355 63.959 0.396 1
1 901 . 1 1 1 A 85 85 PRO CB C 85 33.190 32.228 0.962 1
1 904 . 1 1 1 A 86 86 SER H H 86 8.389 8.077 0.312 1
1 905 . 1 1 1 A 86 86 SER HA H 86 4.175 4.211 -0.036 1
1 907 . 1 1 1 A 86 86 SER CA C 86 62.130 61.727 0.403 1
1 908 . 1 1 1 A 86 86 SER CB C 86 63.080 62.893 0.187 1
1 909 . 1 1 1 A 86 86 SER N N 86 122.195 114.248 7.947 1
1 910 . 1 1 1 A 87 87 MET H H 87 8.576 8.477 0.099 1
1 911 . 1 1 1 A 87 87 MET HA H 87 4.475 4.341 0.134 1
1 918 . 1 1 1 A 87 87 MET CA C 87 57.520 58.239 -0.719 1
1 919 . 1 1 1 A 87 87 MET CB C 87 33.210 32.853 0.357 1
1 922 . 1 1 1 A 87 87 MET N N 87 121.299 119.683 1.616 1
1 923 . 1 1 1 A 88 88 TYR H H 88 6.778 8.220 -1.442 1
1 924 . 1 1 1 A 88 88 TYR HA H 88 5.023 5.237 -0.214 1
1 931 . 1 1 1 A 88 88 TYR CA C 88 56.300 57.849 -1.549 1
1 932 . 1 1 1 A 88 88 TYR CB C 88 42.530 40.883 1.647 1
1 935 . 1 1 1 A 88 88 TYR N N 88 113.420 115.938 -2.518 1
1 936 . 1 1 1 A 89 89 GLN H H 89 9.567 9.393 0.174 1
1 937 . 1 1 1 A 89 89 GLN HA H 89 4.857 5.156 -0.299 1
1 944 . 1 1 1 A 89 89 GLN CA C 89 55.870 54.169 1.701 1
1 945 . 1 1 1 A 89 89 GLN CB C 89 30.430 32.428 -1.998 1
1 947 . 1 1 1 A 89 89 GLN N N 89 115.440 119.371 -3.931 1
1 949 . 1 1 1 A 90 90 ARG H H 90 8.772 8.619 0.153 1
1 950 . 1 1 1 A 90 90 ARG HA H 90 4.499 4.365 0.134 1
1 958 . 1 1 1 A 90 90 ARG CA C 90 56.620 55.783 0.837 1
1 959 . 1 1 1 A 90 90 ARG CB C 90 29.020 30.886 -1.866 1
1 962 . 1 1 1 A 90 90 ARG N N 90 123.860 123.137 0.723 1
1 964 . 1 1 1 A 91 91 THR H H 91 9.217 8.890 0.327 1
1 965 . 1 1 1 A 91 91 THR HA H 91 4.518 4.819 -0.301 1
1 970 . 1 1 1 A 91 91 THR CA C 91 60.570 60.766 -0.196 1
1 971 . 1 1 1 A 91 91 THR CB C 91 71.050 72.822 -1.772 1
1 973 . 1 1 1 A 91 91 THR N N 91 125.064 120.285 4.779 1
1 974 . 1 1 1 A 92 92 ALA H H 92 8.655 8.665 -0.010 1
1 975 . 1 1 1 A 92 92 ALA HA H 92 5.041 5.502 -0.461 1
1 979 . 1 1 1 A 92 92 ALA CA C 92 51.320 50.157 1.163 1
1 980 . 1 1 1 A 92 92 ALA CB C 92 19.480 22.240 -2.760 1
1 981 . 1 1 1 A 92 92 ALA N N 92 126.963 125.106 1.857 1
1 982 . 1 1 1 A 93 93 LEU H H 93 9.005 8.632 0.373 1
1 983 . 1 1 1 A 93 93 LEU HA H 93 4.720 5.240 -0.520 1
1 993 . 1 1 1 A 93 93 LEU CA C 93 53.750 53.678 0.072 1
1 994 . 1 1 1 A 93 93 LEU CB C 93 45.340 45.786 -0.446 1
1 998 . 1 1 1 A 93 93 LEU N N 93 122.440 118.858 3.582 1
1 999 . 1 1 1 A 94 94 GLN H H 94 8.360 8.448 -0.088 1
1 1000 . 1 1 1 A 94 94 GLN HA H 94 4.229 4.860 -0.631 1
1 1005 . 1 1 1 A 94 94 GLN CA C 94 56.040 54.862 1.178 1
1 1006 . 1 1 1 A 94 94 GLN CB C 94 28.780 30.508 -1.728 1
1 1008 . 1 1 1 A 94 94 GLN N N 94 119.357 120.370 -1.013 1
1 1010 . 1 1 1 A 95 95 VAL H H 95 8.612 9.012 -0.400 1
1 1011 . 1 1 1 A 95 95 VAL HA H 95 4.013 4.516 -0.503 1
1 1019 . 1 1 1 A 95 95 VAL CA C 95 61.440 60.690 0.750 1
1 1020 . 1 1 1 A 95 95 VAL CB C 95 35.110 35.029 0.081 1
1 1023 . 1 1 1 A 95 95 VAL N N 95 126.928 126.186 0.742 1
1 1024 . 1 1 1 A 96 96 GLN H H 96 9.222 8.967 0.255 1
1 1025 . 1 1 1 A 96 96 GLN HA H 96 4.279 4.489 -0.210 1
1 1032 . 1 1 1 A 96 96 GLN CA C 96 55.150 56.047 -0.897 1
1 1033 . 1 1 1 A 96 96 GLN CB C 96 29.100 28.974 0.126 1
1 1035 . 1 1 1 A 96 96 GLN N N 96 128.360 127.170 1.190 1
1 1037 . 1 1 1 A 97 97 VAL H H 97 8.233 8.411 -0.178 1
1 1038 . 1 1 1 A 97 97 VAL HA H 97 3.674 4.218 -0.544 1
1 1046 . 1 1 1 A 97 97 VAL CA C 97 64.040 62.806 1.234 1
1 1047 . 1 1 1 A 97 97 VAL CB C 97 31.920 31.950 -0.030 1
1 1050 . 1 1 1 A 97 97 VAL N N 97 128.120 126.278 1.842 1
1 1051 . 1 1 1 A 98 98 LEU H H 98 8.880 9.540 -0.660 1
1 1052 . 1 1 1 A 98 98 LEU HA H 98 4.472 4.419 0.053 1
1 1059 . 1 1 1 A 98 98 LEU CA C 98 55.641 55.864 -0.223 1
1 1060 . 1 1 1 A 98 98 LEU CB C 98 42.510 42.822 -0.312 1
1 1063 . 1 1 1 A 98 98 LEU N N 98 128.877 131.329 -2.452 1
1 1064 . 1 1 1 A 99 99 GLU H H 99 7.682 7.451 0.231 1
1 1065 . 1 1 1 A 99 99 GLU HA H 99 4.403 4.780 -0.377 1
1 1070 . 1 1 1 A 99 99 GLU CA C 99 56.310 55.927 0.383 1
1 1071 . 1 1 1 A 99 99 GLU CB C 99 32.790 33.619 -0.829 1
1 1073 . 1 1 1 A 99 99 GLU N N 99 118.210 117.519 0.691 1
1 1074 . 1 1 1 A 100 100 TRP H H 100 8.883 8.819 0.064 1
1 1075 . 1 1 1 A 100 100 TRP HA H 100 5.205 5.278 -0.073 1
1 1084 . 1 1 1 A 100 100 TRP CA C 100 55.982 55.110 0.872 1
1 1085 . 1 1 1 A 100 100 TRP CB C 100 32.430 32.705 -0.275 1
1 1091 . 1 1 1 A 100 100 TRP N N 100 126.421 128.107 -1.686 1
1 1093 . 1 1 1 A 101 101 GLU H H 101 8.116 8.131 -0.015 1
1 1094 . 1 1 1 A 101 101 GLU HA H 101 4.462 4.595 -0.133 1
1 1098 . 1 1 1 A 101 101 GLU CA C 101 55.050 55.460 -0.410 1
1 1099 . 1 1 1 A 101 101 GLU CB C 101 30.950 29.580 1.370 1
1 1101 . 1 1 1 A 101 101 GLU N N 101 128.535 126.344 2.191 1
1 1102 . 1 1 1 A 102 102 GLY H H 102 7.614 8.089 -0.475 1
1 1103 . 1 1 1 A 102 102 GLY HA2 H 102 3.853 4.033 -0.180 1
1 1104 . 1 1 1 A 102 102 GLY HA3 H 102 3.905 4.089 -0.184 1
1 1105 . 1 1 1 A 102 102 GLY CA C 102 44.440 43.973 0.467 1
1 1106 . 1 1 1 A 102 102 GLY N N 102 108.953 110.992 -2.039 1
1 1107 . 1 1 1 A 103 103 ASP H H 103 8.261 8.481 -0.220 1
1 1108 . 1 1 1 A 103 103 ASP HA H 103 4.641 4.755 -0.114 1
1 1111 . 1 1 1 A 103 103 ASP CA C 103 54.530 54.973 -0.443 1
1 1112 . 1 1 1 A 103 103 ASP CB C 103 41.690 41.494 0.196 1
1 1113 . 1 1 1 A 103 103 ASP N N 103 118.730 121.123 -2.393 1
1 1114 . 1 1 1 A 104 104 GLY H H 104 8.526 8.946 -0.420 1
1 1115 . 1 1 1 A 104 104 GLY HA2 H 104 3.719 3.930 -0.211 1
1 1116 . 1 1 1 A 104 104 GLY HA3 H 104 3.892 4.049 -0.157 1
1 1117 . 1 1 1 A 104 104 GLY CA C 104 45.960 46.814 -0.854 1
1 1118 . 1 1 1 A 104 104 GLY N N 104 109.230 113.270 -4.040 1
1 1119 . 1 1 1 A 105 105 ASP H H 105 7.806 8.009 -0.203 1
1 1120 . 1 1 1 A 105 105 ASP HA H 105 3.381 4.189 -0.808 1
1 1123 . 1 1 1 A 105 105 ASP CA C 105 51.020 50.424 0.596 1
1 1124 . 1 1 1 A 105 105 ASP CB C 105 41.406 40.775 0.631 1
1 1125 . 1 1 1 A 105 105 ASP N N 105 119.739 120.152 -0.413 1
1 1126 . 1 1 1 A 106 106 PRO HA H 106 4.065 4.133 -0.068 1
1 1133 . 1 1 1 A 106 106 PRO CA C 106 62.970 63.306 -0.336 1
1 1134 . 1 1 1 A 106 106 PRO CB C 106 31.660 31.747 -0.087 1
1 1137 . 1 1 1 A 107 107 GLY H H 107 7.863 7.878 -0.015 1
1 1138 . 1 1 1 A 107 107 GLY HA2 H 107 3.401 3.942 -0.541 1
1 1139 . 1 1 1 A 107 107 GLY HA3 H 107 4.103 3.942 0.161 1
1 1140 . 1 1 1 A 107 107 GLY CA C 107 44.170 44.264 -0.094 1
1 1141 . 1 1 1 A 107 107 GLY N N 107 109.610 110.481 -0.871 1
1 1142 . 1 1 1 A 108 108 ASP H H 108 8.171 8.567 -0.396 1
1 1143 . 1 1 1 A 108 108 ASP HA H 108 4.283 4.598 -0.315 1
1 1145 . 1 1 1 A 108 108 ASP CA C 108 56.430 54.388 2.042 1
1 1146 . 1 1 1 A 108 108 ASP CB C 108 41.490 41.068 0.422 1
1 1147 . 1 1 1 A 108 108 ASP N N 108 119.264 121.859 -2.595 1
1 1148 . 1 1 1 A 109 109 SER H H 109 7.560 7.503 0.057 1
1 1149 . 1 1 1 A 109 109 SER HA H 109 5.188 4.953 0.235 1
1 1152 . 1 1 1 A 109 109 SER CA C 109 56.740 57.024 -0.284 1
1 1153 . 1 1 1 A 109 109 SER CB C 109 65.780 66.793 -1.013 1
1 1154 . 1 1 1 A 109 109 SER N N 109 110.810 114.922 -4.112 1
1 1155 . 1 1 1 A 110 110 VAL H H 110 8.932 9.224 -0.292 1
1 1156 . 1 1 1 A 110 110 VAL HA H 110 4.262 4.766 -0.504 1
1 1164 . 1 1 1 A 110 110 VAL CA C 110 59.470 59.450 0.020 1
1 1165 . 1 1 1 A 110 110 VAL CB C 110 35.400 35.672 -0.272 1
1 1168 . 1 1 1 A 110 110 VAL N N 110 118.530 121.249 -2.719 1
1 1169 . 1 1 1 A 111 111 GLN H H 111 8.468 8.718 -0.250 1
1 1170 . 1 1 1 A 111 111 GLN HA H 111 4.422 4.901 -0.479 1
1 1177 . 1 1 1 A 111 111 GLN CA C 111 55.960 54.301 1.659 1
1 1178 . 1 1 1 A 111 111 GLN CB C 111 29.470 29.957 -0.487 1
1 1180 . 1 1 1 A 111 111 GLN N N 111 127.378 125.415 1.963 1
1 1182 . 1 1 1 A 112 112 CYS H H 112 8.785 8.354 0.431 1
1 1183 . 1 1 1 A 112 112 CYS HA H 112 4.782 4.903 -0.121 1
1 1186 . 1 1 1 A 112 112 CYS CA C 112 57.100 58.144 -1.044 1
1 1187 . 1 1 1 A 112 112 CYS CB C 112 33.700 30.177 3.523 1
1 1188 . 1 1 1 A 112 112 CYS N N 112 122.300 125.894 -3.594 1
1 1189 . 1 1 1 A 113 113 PHE H H 113 8.838 8.629 0.209 1
1 1190 . 1 1 1 A 113 113 PHE HA H 113 5.154 5.372 -0.218 1
1 1197 . 1 1 1 A 113 113 PHE CA C 113 58.650 57.372 1.278 1
1 1198 . 1 1 1 A 113 113 PHE CB C 113 40.210 41.261 -1.051 1
1 1201 . 1 1 1 A 113 113 PHE N N 113 118.974 120.737 -1.763 1
1 1202 . 1 1 1 A 114 114 VAL H H 114 9.079 8.555 0.524 1
1 1203 . 1 1 1 A 114 114 VAL HA H 114 4.472 4.725 -0.253 1
1 1211 . 1 1 1 A 114 114 VAL CA C 114 60.650 60.513 0.137 1
1 1212 . 1 1 1 A 114 114 VAL CB C 114 35.970 35.909 0.061 1
1 1215 . 1 1 1 A 114 114 VAL N N 114 121.660 120.280 1.380 1
1 1216 . 1 1 1 A 115 115 TYR H H 115 9.672 8.838 0.834 1
1 1217 . 1 1 1 A 115 115 TYR HA H 115 4.988 5.201 -0.213 1
1 1224 . 1 1 1 A 115 115 TYR CA C 115 59.240 57.071 2.169 1
1 1225 . 1 1 1 A 115 115 TYR CB C 115 36.925 39.510 -2.585 1
1 1228 . 1 1 1 A 115 115 TYR N N 115 127.830 123.946 3.884 1
1 1229 . 1 1 1 A 116 116 THR H H 116 9.061 9.167 -0.106 1
1 1230 . 1 1 1 A 116 116 THR HA H 116 5.435 5.437 -0.002 1
1 1235 . 1 1 1 A 116 116 THR CA C 116 60.130 60.240 -0.110 1
1 1236 . 1 1 1 A 116 116 THR CB C 116 71.910 72.519 -0.609 1
1 1238 . 1 1 1 A 116 116 THR N N 116 119.130 114.245 4.885 1
1 1239 . 1 1 1 A 117 117 THR H H 117 8.707 8.595 0.112 1
1 1240 . 1 1 1 A 117 117 THR HA H 117 5.561 5.236 0.325 1
1 1245 . 1 1 1 A 117 117 THR CA C 117 60.160 60.371 -0.211 1
1 1246 . 1 1 1 A 117 117 THR CB C 117 70.170 71.361 -1.191 1
1 1248 . 1 1 1 A 117 117 THR N N 117 111.190 115.113 -3.923 1
1 1249 . 1 1 1 A 118 118 ALA H H 118 9.257 8.202 1.055 1
1 1250 . 1 1 1 A 118 118 ALA HA H 118 5.033 4.867 0.166 1
1 1254 . 1 1 1 A 118 118 ALA CA C 118 51.550 52.167 -0.617 1
1 1255 . 1 1 1 A 118 118 ALA CB C 118 20.050 20.203 -0.153 1
1 1256 . 1 1 1 A 118 118 ALA N N 118 132.010 128.369 3.641 1
1 1257 . 1 1 1 A 119 119 THR H H 119 8.628 7.205 1.423 1
1 1258 . 1 1 1 A 119 119 THR HA H 119 4.143 4.344 -0.201 1
1 1263 . 1 1 1 A 119 119 THR CA C 119 60.090 60.755 -0.665 1
1 1264 . 1 1 1 A 119 119 THR CB C 119 68.056 68.924 -0.868 1
1 1266 . 1 1 1 A 119 119 THR N N 119 114.350 105.912 8.438 1
1 1267 . 1 1 1 A 120 120 TYR H H 120 6.281 7.102 -0.821 1
1 1268 . 1 1 1 A 120 120 TYR HA H 120 3.594 4.058 -0.464 1
1 1273 . 1 1 1 A 120 120 TYR CA C 120 53.530 57.338 -3.808 1
1 1274 . 1 1 1 A 120 120 TYR CB C 120 40.072 39.734 0.338 1
1 1276 . 1 1 1 A 120 120 TYR N N 120 117.205 121.201 -3.996 1
1 1277 . 1 1 1 A 121 121 ALA HA H 121 5.030 4.471 0.559 1
1 1278 . 1 1 1 A 121 121 ALA CA C 121 51.536 50.160 1.376 1
1 1279 . 1 1 1 A 122 122 PRO HA H 122 4.059 4.286 -0.227 1
1 1285 . 1 1 1 A 122 122 PRO CA C 122 65.435 64.440 0.995 1
1 1286 . 1 1 1 A 122 122 PRO CB C 122 31.680 32.019 -0.339 1
1 1289 . 1 1 1 A 123 123 GLU H H 123 9.336 8.898 0.438 1
1 1290 . 1 1 1 A 123 123 GLU HA H 123 4.169 4.008 0.161 1
1 1294 . 1 1 1 A 123 123 GLU CA C 123 59.100 58.950 0.150 1
1 1295 . 1 1 1 A 123 123 GLU CB C 123 27.940 28.672 -0.732 1
1 1297 . 1 1 1 A 123 123 GLU N N 123 115.528 115.936 -0.408 1
1 1298 . 1 1 1 A 124 124 TRP H H 124 8.560 7.498 1.062 1
1 1299 . 1 1 1 A 124 124 TRP HA H 124 4.671 4.549 0.122 1
1 1308 . 1 1 1 A 124 124 TRP CA C 124 57.370 60.047 -2.677 1
1 1309 . 1 1 1 A 124 124 TRP CB C 124 28.310 28.894 -0.584 1
1 1315 . 1 1 1 A 124 124 TRP N N 124 123.431 119.754 3.677 1
1 1317 . 1 1 1 A 125 125 LEU H H 125 7.378 7.641 -0.263 1
1 1318 . 1 1 1 A 125 125 LEU HA H 125 4.065 4.185 -0.120 1
1 1328 . 1 1 1 A 125 125 LEU CA C 125 56.060 56.093 -0.033 1
1 1329 . 1 1 1 A 125 125 LEU CB C 125 41.220 41.972 -0.752 1
1 1333 . 1 1 1 A 125 125 LEU N N 125 113.660 120.291 -6.631 1
1 1334 . 1 1 1 A 126 126 PHE H H 126 7.415 6.983 0.432 1
1 1335 . 1 1 1 A 126 126 PHE HA H 126 4.640 4.431 0.209 1
1 1342 . 1 1 1 A 126 126 PHE CA C 126 56.940 59.130 -2.190 1
1 1343 . 1 1 1 A 126 126 PHE CB C 126 38.670 38.914 -0.244 1
1 1346 . 1 1 1 A 126 126 PHE N N 126 116.360 115.768 0.592 1
1 1347 . 1 1 1 A 127 127 LEU H H 127 7.168 7.364 -0.196 1
1 1348 . 1 1 1 A 127 127 LEU HA H 127 4.529 4.428 0.101 1
1 1358 . 1 1 1 A 127 127 LEU CA C 127 53.580 53.152 0.428 1
1 1359 . 1 1 1 A 127 127 LEU CB C 127 40.832 40.812 0.020 1
1 1363 . 1 1 1 A 127 127 LEU N N 127 122.990 121.200 1.790 1
1 1364 . 1 1 1 A 128 128 PRO HA H 128 3.986 4.458 -0.472 1
1 1371 . 1 1 1 A 128 128 PRO CA C 128 63.140 62.166 0.974 1
1 1372 . 1 1 1 A 128 128 PRO CB C 128 31.993 32.159 -0.166 1
1 1375 . 1 1 1 A 129 129 TYR H H 129 8.070 8.305 -0.235 1
1 1376 . 1 1 1 A 129 129 TYR HA H 129 5.529 5.477 0.052 1
1 1383 . 1 1 1 A 129 129 TYR CA C 129 52.486 57.150 -4.664 1
1 1384 . 1 1 1 A 129 129 TYR CB C 129 36.760 41.420 -4.660 1
1 1387 . 1 1 1 A 129 129 TYR N N 129 120.100 119.062 1.038 1
1 1388 . 1 1 1 A 130 130 HIS H H 130 9.193 8.525 0.668 1
1 1389 . 1 1 1 A 130 130 HIS HA H 130 4.733 5.181 -0.448 1
1 1393 . 1 1 1 A 130 130 HIS CA C 130 55.920 55.062 0.858 1
1 1394 . 1 1 1 A 130 130 HIS CB C 130 32.908 34.645 -1.737 1
1 1396 . 1 1 1 A 130 130 HIS N N 130 121.985 119.133 2.852 1
1 1397 . 1 1 1 A 131 131 GLU H H 131 9.093 9.100 -0.007 1
1 1398 . 1 1 1 A 131 131 GLU HA H 131 4.277 4.716 -0.439 1
1 1402 . 1 1 1 A 131 131 GLU CA C 131 58.110 56.861 1.249 1
1 1403 . 1 1 1 A 131 131 GLU CB C 131 30.700 31.352 -0.652 1
1 1405 . 1 1 1 A 131 131 GLU N N 131 122.150 119.789 2.361 1
1 1406 . 1 1 1 A 132 132 SER H H 132 7.621 7.972 -0.351 1
1 1407 . 1 1 1 A 132 132 SER HA H 132 4.686 5.090 -0.404 1
1 1410 . 1 1 1 A 132 132 SER CA C 132 56.340 57.638 -1.298 1
1 1411 . 1 1 1 A 132 132 SER CB C 132 65.050 66.203 -1.153 1
1 1412 . 1 1 1 A 132 132 SER N N 132 108.030 113.695 -5.665 1
1 1413 . 1 1 1 A 133 133 TYR H H 133 8.667 8.835 -0.168 1
1 1414 . 1 1 1 A 133 133 TYR HA H 133 4.564 5.204 -0.640 1
1 1419 . 1 1 1 A 133 133 TYR CA C 133 57.910 57.478 0.432 1
1 1420 . 1 1 1 A 133 133 TYR CB C 133 40.720 41.910 -1.190 1
1 1422 . 1 1 1 A 133 133 TYR N N 133 121.977 122.095 -0.118 1
1 1423 . 1 1 1 A 134 134 ASP H H 134 7.303 8.513 -1.210 1
1 1424 . 1 1 1 A 134 134 ASP HA H 134 3.944 4.970 -1.026 1
1 1427 . 1 1 1 A 134 134 ASP CA C 134 52.540 52.807 -0.267 1
1 1428 . 1 1 1 A 134 134 ASP CB C 134 42.900 43.906 -1.006 1
1 1429 . 1 1 1 A 134 134 ASP N N 134 127.820 127.631 0.189 1
1 1430 . 1 1 1 A 135 135 SER H H 135 9.392 9.094 0.298 1
1 1431 . 1 1 1 A 135 135 SER HA H 135 3.945 4.001 -0.056 1
1 1434 . 1 1 1 A 135 135 SER CA C 135 61.770 61.063 0.707 1
1 1435 . 1 1 1 A 135 135 SER CB C 135 63.561 62.648 0.913 1
1 1436 . 1 1 1 A 135 135 SER N N 135 127.670 120.186 7.484 1
1 1437 . 1 1 1 A 136 136 GLU H H 136 7.546 8.043 -0.497 1
1 1438 . 1 1 1 A 136 136 GLU HA H 136 4.233 4.177 0.056 1
1 1443 . 1 1 1 A 136 136 GLU CA C 136 54.796 59.116 -4.320 1
1 1444 . 1 1 1 A 136 136 GLU CB C 136 28.420 29.601 -1.181 1
1 1446 . 1 1 1 A 136 136 GLU N N 136 113.107 118.178 -5.071 1
1 1447 . 1 1 1 A 137 137 GLY H H 137 7.241 8.023 -0.782 1
1 1448 . 1 1 1 A 137 137 GLY HA2 H 137 3.994 4.030 -0.036 1
1 1449 . 1 1 1 A 137 137 GLY HA3 H 137 3.503 4.087 -0.584 1
1 1450 . 1 1 1 A 137 137 GLY CA C 137 44.880 44.942 -0.062 1
1 1451 . 1 1 1 A 137 137 GLY N N 137 104.690 108.214 -3.524 1
1 1452 . 1 1 1 A 138 138 PRO HA H 138 4.211 4.399 -0.188 1
1 1459 . 1 1 1 A 138 138 PRO CA C 138 64.830 64.131 0.699 1
1 1460 . 1 1 1 A 138 138 PRO CB C 138 31.180 31.721 -0.541 1
1 1463 . 1 1 1 A 139 139 HIS H H 139 6.414 7.660 -1.246 1
1 1464 . 1 1 1 A 139 139 HIS HA H 139 4.299 4.207 0.092 1
1 1467 . 1 1 1 A 139 139 HIS CA C 139 55.080 58.644 -3.564 1
1 1468 . 1 1 1 A 139 139 HIS CB C 139 30.260 29.987 0.273 1
1 1470 . 1 1 1 A 139 139 HIS N N 139 116.498 116.395 0.103 1
1 1471 . 1 1 1 A 140 140 GLY H H 140 7.082 8.326 -1.244 1
1 1472 . 1 1 1 A 140 140 GLY HA2 H 140 3.919 3.888 0.031 1
1 1473 . 1 1 1 A 140 140 GLY HA3 H 140 3.721 3.891 -0.170 1
1 1474 . 1 1 1 A 140 140 GLY CA C 140 46.590 45.753 0.837 1
1 1475 . 1 1 1 A 140 140 GLY N N 140 108.485 107.007 1.478 1
1 1476 . 1 1 1 A 141 141 LEU HA H 141 4.451 4.623 -0.172 1
1 1483 . 1 1 1 A 141 141 LEU CA C 141 53.024 53.864 -0.840 1
1 1484 . 1 1 1 A 141 141 LEU CB C 141 39.500 42.794 -3.294 1
1 1487 . 1 1 1 A 142 142 ARG H H 142 7.472 8.842 -1.370 1
1 1488 . 1 1 1 A 142 142 ARG HA H 142 4.724 4.928 -0.204 1
1 1493 . 1 1 1 A 142 142 ARG CA C 142 55.940 54.006 1.934 1
1 1494 . 1 1 1 A 142 142 ARG CB C 142 31.070 33.569 -2.499 1
1 1497 . 1 1 1 A 142 142 ARG N N 142 121.987 124.906 -2.919 1
1 1499 . 1 1 1 A 143 143 TYR H H 143 8.487 8.891 -0.404 1
1 1500 . 1 1 1 A 143 143 TYR HA H 143 4.474 4.777 -0.303 1
1 1507 . 1 1 1 A 143 143 TYR CA C 143 59.015 59.549 -0.534 1
1 1508 . 1 1 1 A 143 143 TYR CB C 143 38.720 39.429 -0.709 1
1 1511 . 1 1 1 A 143 143 TYR N N 143 127.896 123.047 4.849 1
1 1512 . 1 1 1 A 144 144 ASN H H 144 7.805 8.108 -0.303 1
1 1513 . 1 1 1 A 144 144 ASN HA H 144 4.892 5.312 -0.420 1
1 1518 . 1 1 1 A 144 144 ASN CA C 144 50.120 50.374 -0.254 1
1 1519 . 1 1 1 A 144 144 ASN CB C 144 39.360 39.561 -0.201 1
1 1520 . 1 1 1 A 144 144 ASN N N 144 125.629 126.101 -0.472 1
1 1522 . 1 1 1 A 145 145 PRO HA H 145 3.975 4.175 -0.200 1
1 1528 . 1 1 1 A 145 145 PRO CA C 145 63.140 64.249 -1.109 1
1 1529 . 1 1 1 A 145 145 PRO CB C 145 32.386 31.793 0.593 1
1 1532 . 1 1 1 A 146 146 ARG H H 146 8.055 8.041 0.014 1
1 1533 . 1 1 1 A 146 146 ARG HA H 146 3.918 4.586 -0.668 1
1 1541 . 1 1 1 A 146 146 ARG CA C 146 56.740 55.023 1.717 1
1 1542 . 1 1 1 A 146 146 ARG CB C 146 30.430 31.604 -1.174 1
1 1545 . 1 1 1 A 146 146 ARG N N 146 120.069 118.529 1.540 1
1 1547 . 1 1 1 A 147 147 GLU H H 147 8.440 8.219 0.221 1
1 1548 . 1 1 1 A 147 147 GLU HA H 147 4.167 3.807 0.360 1
1 1552 . 1 1 1 A 147 147 GLU CA C 147 56.710 59.215 -2.505 1
1 1553 . 1 1 1 A 147 147 GLU CB C 147 30.150 28.020 2.130 1
1 1555 . 1 1 1 A 147 147 GLU N N 147 120.760 117.259 3.501 1
1 1556 . 1 1 1 A 148 148 ASN H H 148 8.363 8.576 -0.213 1
1 1557 . 1 1 1 A 148 148 ASN HA H 148 4.652 4.501 0.151 1
1 1562 . 1 1 1 A 148 148 ASN CA C 148 53.240 55.824 -2.584 1
1 1563 . 1 1 1 A 148 148 ASN CB C 148 38.840 37.857 0.983 1
1 1564 . 1 1 1 A 148 148 ASN N N 148 120.210 118.043 2.167 1
1 1 . 2 1 1 A 2 2 ALA HA H 2 4.182 4.841 -0.659 1
1 5 . 2 1 1 A 2 2 ALA CA C 2 51.510 50.743 0.767 1
1 6 . 2 1 1 A 2 2 ALA CB C 2 20.090 24.207 -4.117 1
1 7 . 2 1 1 A 3 3 HIS H H 3 9.173 8.483 0.690 1
1 8 . 2 1 1 A 3 3 HIS HA H 3 5.839 5.500 0.339 1
1 12 . 2 1 1 A 3 3 HIS CA C 3 56.960 54.503 2.457 1
1 13 . 2 1 1 A 3 3 HIS CB C 3 32.820 33.010 -0.190 1
1 15 . 2 1 1 A 3 3 HIS N N 3 118.801 115.636 3.165 1
1 16 . 2 1 1 A 4 4 ILE H H 4 9.494 9.168 0.326 1
1 17 . 2 1 1 A 4 4 ILE HA H 4 5.508 5.178 0.330 1
1 27 . 2 1 1 A 4 4 ILE CA C 4 58.300 59.665 -1.365 1
1 28 . 2 1 1 A 4 4 ILE CB C 4 41.930 41.846 0.084 1
1 32 . 2 1 1 A 4 4 ILE N N 4 118.202 118.124 0.078 1
1 33 . 2 1 1 A 5 5 PHE H H 5 8.815 9.047 -0.232 1
1 34 . 2 1 1 A 5 5 PHE HA H 5 5.789 5.628 0.161 1
1 42 . 2 1 1 A 5 5 PHE CA C 5 55.153 56.242 -1.089 1
1 43 . 2 1 1 A 5 5 PHE CB C 5 40.740 41.666 -0.926 1
1 47 . 2 1 1 A 5 5 PHE N N 5 126.107 125.603 0.504 1
1 48 . 2 1 1 A 6 6 VAL H H 6 9.078 8.058 1.020 1
1 49 . 2 1 1 A 6 6 VAL HA H 6 4.357 4.493 -0.136 1
1 57 . 2 1 1 A 6 6 VAL CA C 6 59.157 60.579 -1.422 1
1 58 . 2 1 1 A 6 6 VAL CB C 6 33.473 33.767 -0.294 1
1 61 . 2 1 1 A 6 6 VAL N N 6 118.658 121.083 -2.425 1
1 62 . 2 1 1 A 7 7 TYR H H 7 6.878 8.646 -1.768 1
1 63 . 2 1 1 A 7 7 TYR HA H 7 4.170 4.903 -0.733 1
1 66 . 2 1 1 A 7 7 TYR CB C 7 36.608 40.102 -3.494 1
1 67 . 2 1 1 A 7 7 TYR N N 7 116.860 120.874 -4.014 1
1 68 . 2 1 1 A 8 8 GLY HA2 H 8 4.195 3.968 0.227 1
1 69 . 2 1 1 A 8 8 GLY HA3 H 8 2.933 4.159 -1.226 1
1 70 . 2 1 1 A 8 8 GLY CA C 8 46.169 45.323 0.846 1
1 71 . 2 1 1 A 9 9 THR H H 9 7.618 7.995 -0.377 1
1 72 . 2 1 1 A 9 9 THR HA H 9 3.831 4.016 -0.185 1
1 77 . 2 1 1 A 9 9 THR CA C 9 64.570 64.964 -0.394 1
1 78 . 2 1 1 A 9 9 THR CB C 9 68.494 68.326 0.168 1
1 80 . 2 1 1 A 9 9 THR N N 9 115.934 113.571 2.363 1
1 81 . 2 1 1 A 10 10 LEU H H 10 7.561 7.382 0.179 1
1 82 . 2 1 1 A 10 10 LEU HA H 10 3.673 4.479 -0.806 1
1 92 . 2 1 1 A 10 10 LEU CA C 10 55.950 53.374 2.576 1
1 93 . 2 1 1 A 10 10 LEU CB C 10 41.610 41.984 -0.374 1
1 97 . 2 1 1 A 10 10 LEU N N 10 120.151 119.673 0.478 1
1 98 . 2 1 1 A 11 11 LYS H H 11 6.738 8.011 -1.273 1
1 99 . 2 1 1 A 11 11 LYS HA H 11 4.007 4.636 -0.629 1
1 103 . 2 1 1 A 11 11 LYS CA C 11 57.390 57.657 -0.267 1
1 104 . 2 1 1 A 11 11 LYS CB C 11 34.322 35.001 -0.679 1
1 106 . 2 1 1 A 11 11 LYS N N 11 116.295 120.263 -3.968 1
1 107 . 2 1 1 A 12 12 ARG H H 12 9.432 8.436 0.996 1
1 108 . 2 1 1 A 12 12 ARG HA H 12 2.029 4.165 -2.136 1
1 115 . 2 1 1 A 12 12 ARG CA C 12 58.420 58.351 0.069 1
1 116 . 2 1 1 A 12 12 ARG CB C 12 29.190 30.295 -1.105 1
1 119 . 2 1 1 A 12 12 ARG N N 12 120.863 119.376 1.487 1
1 120 . 2 1 1 A 13 13 GLY H H 13 8.048 6.798 1.250 1
1 121 . 2 1 1 A 13 13 GLY HA2 H 13 3.990 3.633 0.357 1
1 122 . 2 1 1 A 13 13 GLY HA3 H 13 3.538 3.935 -0.397 1
1 123 . 2 1 1 A 13 13 GLY CA C 13 45.490 45.469 0.021 1
1 124 . 2 1 1 A 13 13 GLY N N 13 111.120 103.998 7.122 1
1 125 . 2 1 1 A 14 14 GLN H H 14 7.904 7.730 0.174 1
1 126 . 2 1 1 A 14 14 GLN HA H 14 4.682 4.456 0.226 1
1 133 . 2 1 1 A 14 14 GLN CA C 14 53.440 54.699 -1.259 1
1 134 . 2 1 1 A 14 14 GLN CB C 14 27.115 28.665 -1.550 1
1 136 . 2 1 1 A 14 14 GLN N N 14 117.811 120.468 -2.657 1
1 138 . 2 1 1 A 15 15 PRO HA H 15 4.342 4.559 -0.217 1
1 145 . 2 1 1 A 15 15 PRO CA C 15 66.870 64.336 2.534 1
1 146 . 2 1 1 A 15 15 PRO CB C 15 34.060 31.833 2.227 1
1 149 . 2 1 1 A 16 16 ASN H H 16 8.287 8.435 -0.148 1
1 150 . 2 1 1 A 16 16 ASN HA H 16 5.356 4.986 0.370 1
1 155 . 2 1 1 A 16 16 ASN CA C 16 52.230 53.060 -0.830 1
1 156 . 2 1 1 A 16 16 ASN CB C 16 39.030 39.677 -0.647 1
1 157 . 2 1 1 A 16 16 ASN N N 16 110.638 116.927 -6.289 1
1 159 . 2 1 1 A 17 17 HIS H H 17 7.819 8.083 -0.264 1
1 160 . 2 1 1 A 17 17 HIS HA H 17 3.815 4.234 -0.419 1
1 164 . 2 1 1 A 17 17 HIS CA C 17 60.140 58.615 1.525 1
1 165 . 2 1 1 A 17 17 HIS CB C 17 27.680 29.272 -1.592 1
1 167 . 2 1 1 A 17 17 HIS N N 17 121.058 118.688 2.370 1
1 168 . 2 1 1 A 18 18 LYS H H 18 8.326 7.227 1.099 1
1 169 . 2 1 1 A 18 18 LYS HA H 18 3.695 3.730 -0.035 1
1 175 . 2 1 1 A 18 18 LYS CA C 18 58.890 58.258 0.632 1
1 176 . 2 1 1 A 18 18 LYS CB C 18 31.070 31.050 0.020 1
1 180 . 2 1 1 A 18 18 LYS N N 18 112.812 118.691 -5.879 1
1 181 . 2 1 1 A 19 19 VAL H H 19 7.373 7.393 -0.020 1
1 182 . 2 1 1 A 19 19 VAL HA H 19 3.816 3.342 0.474 1
1 190 . 2 1 1 A 19 19 VAL CA C 19 64.960 64.697 0.263 1
1 191 . 2 1 1 A 19 19 VAL CB C 19 30.960 30.810 0.150 1
1 194 . 2 1 1 A 19 19 VAL N N 19 117.691 116.594 1.097 1
1 195 . 2 1 1 A 20 20 MET H H 20 7.329 7.941 -0.612 1
1 196 . 2 1 1 A 20 20 MET HA H 20 3.951 4.136 -0.185 1
1 204 . 2 1 1 A 20 20 MET CA C 20 55.560 56.691 -1.131 1
1 205 . 2 1 1 A 20 20 MET CB C 20 31.460 31.334 0.126 1
1 208 . 2 1 1 A 20 20 MET N N 20 114.870 118.333 -3.463 1
1 209 . 2 1 1 A 21 21 LEU H H 21 6.718 7.431 -0.713 1
1 210 . 2 1 1 A 21 21 LEU HA H 21 4.091 4.614 -0.523 1
1 220 . 2 1 1 A 21 21 LEU CA C 21 54.140 54.363 -0.223 1
1 221 . 2 1 1 A 21 21 LEU CB C 21 42.310 42.004 0.306 1
1 225 . 2 1 1 A 21 21 LEU N N 21 116.021 118.904 -2.883 1
1 226 . 2 1 1 A 22 22 ASP H H 22 6.399 7.206 -0.807 1
1 227 . 2 1 1 A 22 22 ASP HA H 22 4.288 4.845 -0.557 1
1 229 . 2 1 1 A 22 22 ASP CA C 22 52.776 53.237 -0.461 1
1 230 . 2 1 1 A 22 22 ASP CB C 22 40.180 41.878 -1.698 1
1 231 . 2 1 1 A 22 22 ASP N N 22 117.972 118.319 -0.347 1
1 232 . 2 1 1 A 23 23 HIS H H 23 8.601 8.042 0.559 1
1 233 . 2 1 1 A 23 23 HIS HA H 23 4.848 4.174 0.674 1
1 237 . 2 1 1 A 23 23 HIS CA C 23 55.800 56.508 -0.708 1
1 238 . 2 1 1 A 23 23 HIS CB C 23 27.860 28.481 -0.621 1
1 240 . 2 1 1 A 23 23 HIS N N 23 123.395 116.610 6.785 1
1 241 . 2 1 1 A 24 24 SER H H 24 8.526 8.090 0.436 1
1 242 . 2 1 1 A 24 24 SER HA H 24 4.105 4.453 -0.348 1
1 244 . 2 1 1 A 24 24 SER CA C 24 60.870 58.643 2.227 1
1 245 . 2 1 1 A 24 24 SER CB C 24 62.510 64.625 -2.115 1
1 246 . 2 1 1 A 24 24 SER N N 24 117.035 112.773 4.262 1
1 247 . 2 1 1 A 25 25 HIS H H 25 7.450 7.719 -0.269 1
1 248 . 2 1 1 A 25 25 HIS HA H 25 4.494 4.258 0.236 1
1 252 . 2 1 1 A 25 25 HIS CA C 25 53.900 55.846 -1.946 1
1 253 . 2 1 1 A 25 25 HIS CB C 25 28.320 30.225 -1.905 1
1 255 . 2 1 1 A 25 25 HIS N N 25 117.560 115.871 1.689 1
1 256 . 2 1 1 A 26 26 GLY H H 26 6.926 6.965 -0.039 1
1 257 . 2 1 1 A 26 26 GLY HA2 H 26 3.587 3.822 -0.235 1
1 258 . 2 1 1 A 26 26 GLY HA3 H 26 4.362 3.908 0.454 1
1 259 . 2 1 1 A 26 26 GLY CA C 26 43.730 43.790 -0.060 1
1 260 . 2 1 1 A 26 26 GLY N N 26 103.120 106.918 -3.798 1
1 261 . 2 1 1 A 27 27 LEU H H 27 8.579 8.735 -0.156 1
1 262 . 2 1 1 A 27 27 LEU HA H 27 4.327 4.768 -0.441 1
1 271 . 2 1 1 A 27 27 LEU CA C 27 54.520 54.852 -0.332 1
1 272 . 2 1 1 A 27 27 LEU CB C 27 44.250 43.081 1.169 1
1 276 . 2 1 1 A 27 27 LEU N N 27 121.940 121.519 0.421 1
1 277 . 2 1 1 A 28 28 ALA H H 28 7.776 8.738 -0.962 1
1 278 . 2 1 1 A 28 28 ALA HA H 28 5.231 5.583 -0.352 1
1 282 . 2 1 1 A 28 28 ALA CA C 28 50.990 51.089 -0.099 1
1 283 . 2 1 1 A 28 28 ALA CB C 28 22.580 24.011 -1.431 1
1 284 . 2 1 1 A 28 28 ALA N N 28 123.020 128.336 -5.316 1
1 285 . 2 1 1 A 29 29 ALA H H 29 9.231 8.392 0.839 1
1 286 . 2 1 1 A 29 29 ALA HA H 29 4.857 5.007 -0.150 1
1 290 . 2 1 1 A 29 29 ALA CA C 29 50.661 51.382 -0.721 1
1 291 . 2 1 1 A 29 29 ALA CB C 29 21.140 22.894 -1.754 1
1 292 . 2 1 1 A 29 29 ALA N N 29 125.760 120.349 5.411 1
1 293 . 2 1 1 A 30 30 PHE H H 30 9.083 9.085 -0.002 1
1 294 . 2 1 1 A 30 30 PHE HA H 30 3.397 4.419 -1.022 1
1 301 . 2 1 1 A 30 30 PHE CA C 30 59.895 59.476 0.419 1
1 302 . 2 1 1 A 30 30 PHE CB C 30 38.810 39.428 -0.618 1
1 305 . 2 1 1 A 30 30 PHE N N 30 126.590 123.432 3.158 1
1 306 . 2 1 1 A 31 31 ARG H H 31 8.102 7.880 0.222 1
1 307 . 2 1 1 A 31 31 ARG HA H 31 3.941 4.057 -0.116 1
1 314 . 2 1 1 A 31 31 ARG CA C 31 53.120 54.231 -1.111 1
1 315 . 2 1 1 A 31 31 ARG CB C 31 31.665 30.703 0.962 1
1 318 . 2 1 1 A 31 31 ARG N N 31 125.007 127.137 -2.130 1
1 320 . 2 1 1 A 32 32 GLY H H 32 5.465 6.109 -0.644 1
1 321 . 2 1 1 A 32 32 GLY HA2 H 32 3.264 3.744 -0.480 1
1 322 . 2 1 1 A 32 32 GLY HA3 H 32 4.670 3.934 0.736 1
1 323 . 2 1 1 A 32 32 GLY CA C 32 45.150 44.559 0.591 1
1 324 . 2 1 1 A 32 32 GLY N N 32 101.400 107.607 -6.207 1
1 325 . 2 1 1 A 33 33 ARG H H 33 8.345 8.291 0.054 1
1 326 . 2 1 1 A 33 33 ARG HA H 33 5.158 4.247 0.911 1
1 332 . 2 1 1 A 33 33 ARG CA C 33 54.924 55.810 -0.886 1
1 333 . 2 1 1 A 33 33 ARG CB C 33 34.180 30.782 3.398 1
1 336 . 2 1 1 A 33 33 ARG N N 33 116.822 122.891 -6.069 1
1 338 . 2 1 1 A 34 34 GLY H H 34 8.549 8.323 0.226 1
1 339 . 2 1 1 A 34 34 GLY HA2 H 34 5.154 4.462 0.692 1
1 340 . 2 1 1 A 34 34 GLY HA3 H 34 3.752 4.544 -0.792 1
1 341 . 2 1 1 A 34 34 GLY CA C 34 45.620 45.791 -0.171 1
1 342 . 2 1 1 A 34 34 GLY N N 34 107.400 107.577 -0.177 1
1 343 . 2 1 1 A 35 35 CYS H H 35 8.803 8.386 0.417 1
1 344 . 2 1 1 A 35 35 CYS HA H 35 5.893 5.592 0.301 1
1 347 . 2 1 1 A 35 35 CYS CA C 35 55.420 57.263 -1.843 1
1 348 . 2 1 1 A 35 35 CYS CB C 35 30.960 31.574 -0.614 1
1 349 . 2 1 1 A 35 35 CYS N N 35 117.781 117.224 0.557 1
1 350 . 2 1 1 A 36 36 THR H H 36 9.033 8.786 0.247 1
1 351 . 2 1 1 A 36 36 THR HA H 36 3.835 4.283 -0.448 1
1 356 . 2 1 1 A 36 36 THR CA C 36 64.160 62.183 1.977 1
1 357 . 2 1 1 A 36 36 THR CB C 36 68.200 69.482 -1.282 1
1 359 . 2 1 1 A 36 36 THR N N 36 117.973 114.916 3.057 1
1 360 . 2 1 1 A 37 37 VAL H H 37 7.545 8.207 -0.662 1
1 361 . 2 1 1 A 37 37 VAL HA H 37 3.709 3.873 -0.164 1
1 369 . 2 1 1 A 37 37 VAL CA C 37 65.740 65.974 -0.234 1
1 370 . 2 1 1 A 37 37 VAL CB C 37 32.410 32.000 0.410 1
1 373 . 2 1 1 A 37 37 VAL N N 37 121.706 125.608 -3.902 1
1 374 . 2 1 1 A 38 38 GLU H H 38 8.540 7.827 0.713 1
1 375 . 2 1 1 A 38 38 GLU HA H 38 4.264 4.260 0.004 1
1 380 . 2 1 1 A 38 38 GLU CA C 38 54.260 55.865 -1.605 1
1 381 . 2 1 1 A 38 38 GLU CB C 38 30.770 29.677 1.093 1
1 383 . 2 1 1 A 38 38 GLU N N 38 119.219 120.470 -1.251 1
1 384 . 2 1 1 A 39 39 SER H H 39 8.692 8.385 0.307 1
1 385 . 2 1 1 A 39 39 SER HA H 39 4.035 4.457 -0.422 1
1 388 . 2 1 1 A 39 39 SER CA C 39 57.370 59.160 -1.790 1
1 389 . 2 1 1 A 39 39 SER CB C 39 63.760 64.008 -0.248 1
1 390 . 2 1 1 A 39 39 SER N N 39 118.941 117.871 1.070 1
1 391 . 2 1 1 A 40 40 PHE H H 40 8.302 9.162 -0.860 1
1 392 . 2 1 1 A 40 40 PHE HA H 40 4.986 4.877 0.109 1
1 400 . 2 1 1 A 40 40 PHE CA C 40 57.320 55.605 1.715 1
1 401 . 2 1 1 A 40 40 PHE CB C 40 44.292 42.670 1.622 1
1 405 . 2 1 1 A 40 40 PHE N N 40 119.300 121.098 -1.798 1
1 406 . 2 1 1 A 41 41 PRO HA H 41 3.828 4.075 -0.247 1
1 413 . 2 1 1 A 41 41 PRO CA C 41 62.270 62.135 0.135 1
1 414 . 2 1 1 A 41 41 PRO CB C 41 30.790 29.776 1.014 1
1 417 . 2 1 1 A 42 42 LEU H H 42 7.964 8.117 -0.153 1
1 418 . 2 1 1 A 42 42 LEU HA H 42 5.352 4.853 0.499 1
1 427 . 2 1 1 A 42 42 LEU CA C 42 53.830 54.388 -0.558 1
1 428 . 2 1 1 A 42 42 LEU CB C 42 42.380 43.297 -0.917 1
1 431 . 2 1 1 A 42 42 LEU N N 42 129.948 124.340 5.608 1
1 432 . 2 1 1 A 43 43 VAL H H 43 8.607 8.987 -0.380 1
1 433 . 2 1 1 A 43 43 VAL HA H 43 5.296 5.012 0.284 1
1 441 . 2 1 1 A 43 43 VAL CA C 43 58.040 59.588 -1.548 1
1 442 . 2 1 1 A 43 43 VAL CB C 43 35.220 34.845 0.375 1
1 445 . 2 1 1 A 43 43 VAL N N 43 117.190 122.117 -4.927 1
1 446 . 2 1 1 A 44 44 ILE H H 44 9.056 8.902 0.154 1
1 447 . 2 1 1 A 44 44 ILE HA H 44 4.426 4.370 0.056 1
1 457 . 2 1 1 A 44 44 ILE CA C 44 61.156 60.681 0.475 1
1 458 . 2 1 1 A 44 44 ILE CB C 44 38.544 37.521 1.023 1
1 462 . 2 1 1 A 44 44 ILE N N 44 122.963 125.741 -2.778 1
1 463 . 2 1 1 A 45 45 ALA H H 45 8.701 8.167 0.534 1
1 464 . 2 1 1 A 45 45 ALA HA H 45 4.626 4.382 0.244 1
1 468 . 2 1 1 A 45 45 ALA CA C 45 51.430 51.635 -0.205 1
1 469 . 2 1 1 A 45 45 ALA CB C 45 21.670 19.969 1.701 1
1 470 . 2 1 1 A 45 45 ALA N N 45 126.347 128.999 -2.652 1
1 471 . 2 1 1 A 46 46 GLY H H 46 8.486 8.656 -0.170 1
1 472 . 2 1 1 A 46 46 GLY HA2 H 46 4.587 4.243 0.344 1
1 473 . 2 1 1 A 46 46 GLY HA3 H 46 4.084 4.253 -0.169 1
1 474 . 2 1 1 A 46 46 GLY CA C 46 44.500 44.854 -0.354 1
1 475 . 2 1 1 A 46 46 GLY N N 46 108.262 106.956 1.306 1
1 476 . 2 1 1 A 47 47 GLU H H 47 8.938 8.842 0.096 1
1 477 . 2 1 1 A 47 47 GLU HA H 47 4.003 4.246 -0.243 1
1 480 . 2 1 1 A 47 47 GLU CA C 47 58.820 58.372 0.448 1
1 481 . 2 1 1 A 47 47 GLU CB C 47 29.500 29.992 -0.492 1
1 482 . 2 1 1 A 47 47 GLU N N 47 118.010 120.916 -2.906 1
1 483 . 2 1 1 A 48 48 HIS H H 48 8.742 7.784 0.958 1
1 484 . 2 1 1 A 48 48 HIS HA H 48 4.704 4.651 0.053 1
1 488 . 2 1 1 A 48 48 HIS CA C 48 55.130 55.439 -0.309 1
1 489 . 2 1 1 A 48 48 HIS CB C 48 29.110 30.081 -0.971 1
1 491 . 2 1 1 A 48 48 HIS N N 48 115.306 114.456 0.850 1
1 492 . 2 1 1 A 49 49 ASN H H 49 7.810 8.080 -0.270 1
1 493 . 2 1 1 A 49 49 ASN HA H 49 3.878 4.151 -0.273 1
1 498 . 2 1 1 A 49 49 ASN CA C 49 53.876 54.006 -0.130 1
1 499 . 2 1 1 A 49 49 ASN CB C 49 36.030 36.999 -0.969 1
1 500 . 2 1 1 A 49 49 ASN N N 49 114.919 114.115 0.804 1
1 502 . 2 1 1 A 50 50 ILE H H 50 7.046 8.039 -0.993 1
1 503 . 2 1 1 A 50 50 ILE HA H 50 4.022 4.528 -0.506 1
1 513 . 2 1 1 A 50 50 ILE CA C 50 59.430 57.932 1.498 1
1 514 . 2 1 1 A 50 50 ILE CB C 50 41.326 38.097 3.229 1
1 518 . 2 1 1 A 50 50 ILE N N 50 120.995 120.038 0.957 1
1 519 . 2 1 1 A 51 51 PRO HA H 51 5.194 4.201 0.993 1
1 521 . 2 1 1 A 51 51 PRO CA C 51 60.560 62.748 -2.188 1
1 522 . 2 1 1 A 51 51 PRO CB C 51 31.841 31.270 0.571 1
1 523 . 2 1 1 A 52 52 TRP H H 52 9.564 8.665 0.899 1
1 524 . 2 1 1 A 52 52 TRP HA H 52 4.805 5.014 -0.209 1
1 532 . 2 1 1 A 52 52 TRP CA C 52 56.550 56.701 -0.151 1
1 533 . 2 1 1 A 52 52 TRP CB C 52 32.300 30.640 1.660 1
1 539 . 2 1 1 A 52 52 TRP N N 52 123.070 125.157 -2.087 1
1 541 . 2 1 1 A 53 53 LEU H H 53 7.227 9.119 -1.892 1
1 542 . 2 1 1 A 53 53 LEU HA H 53 4.863 4.748 0.115 1
1 552 . 2 1 1 A 53 53 LEU CA C 53 53.790 54.444 -0.654 1
1 553 . 2 1 1 A 53 53 LEU CB C 53 42.250 42.187 0.063 1
1 557 . 2 1 1 A 53 53 LEU N N 53 124.700 127.078 -2.378 1
1 558 . 2 1 1 A 54 54 LEU H H 54 9.021 8.094 0.927 1
1 559 . 2 1 1 A 54 54 LEU HA H 54 4.618 4.490 0.128 1
1 569 . 2 1 1 A 54 54 LEU CA C 54 54.030 55.830 -1.800 1
1 570 . 2 1 1 A 54 54 LEU CB C 54 40.360 42.078 -1.718 1
1 574 . 2 1 1 A 54 54 LEU N N 54 126.893 128.592 -1.699 1
1 575 . 2 1 1 A 55 55 TYR H H 55 8.884 9.145 -0.261 1
1 576 . 2 1 1 A 55 55 TYR HA H 55 4.562 4.754 -0.192 1
1 583 . 2 1 1 A 55 55 TYR CA C 55 58.420 56.748 1.672 1
1 584 . 2 1 1 A 55 55 TYR CB C 55 36.180 38.045 -1.865 1
1 587 . 2 1 1 A 55 55 TYR N N 55 123.430 126.258 -2.828 1
1 588 . 2 1 1 A 56 56 LEU H H 56 8.192 8.870 -0.678 1
1 589 . 2 1 1 A 56 56 LEU HA H 56 4.530 4.855 -0.325 1
1 598 . 2 1 1 A 56 56 LEU CA C 56 51.720 51.715 0.005 1
1 599 . 2 1 1 A 56 56 LEU CB C 56 43.260 43.467 -0.207 1
1 602 . 2 1 1 A 56 56 LEU N N 56 130.832 128.791 2.041 1
1 603 . 2 1 1 A 57 57 PRO HA H 57 3.779 3.250 0.529 1
1 610 . 2 1 1 A 57 57 PRO CA C 57 62.240 63.389 -1.149 1
1 611 . 2 1 1 A 57 57 PRO CB C 57 31.130 31.041 0.089 1
1 614 . 2 1 1 A 58 58 GLY H H 58 8.908 8.434 0.474 1
1 615 . 2 1 1 A 58 58 GLY HA2 H 58 4.027 3.767 0.260 1
1 616 . 2 1 1 A 58 58 GLY HA3 H 58 3.433 3.790 -0.357 1
1 617 . 2 1 1 A 58 58 GLY CA C 58 44.860 45.397 -0.537 1
1 618 . 2 1 1 A 58 58 GLY N N 58 112.351 112.119 0.232 1
1 619 . 2 1 1 A 59 59 LYS H H 59 7.214 7.098 0.116 1
1 620 . 2 1 1 A 59 59 LYS HA H 59 4.386 4.653 -0.267 1
1 629 . 2 1 1 A 59 59 LYS CA C 59 53.760 54.656 -0.896 1
1 630 . 2 1 1 A 59 59 LYS CB C 59 34.590 35.466 -0.876 1
1 634 . 2 1 1 A 59 59 LYS N N 59 121.458 120.605 0.853 1
1 635 . 2 1 1 A 60 60 GLY H H 60 8.312 8.290 0.022 1
1 636 . 2 1 1 A 60 60 GLY HA2 H 60 3.379 3.066 0.313 1
1 637 . 2 1 1 A 60 60 GLY HA3 H 60 3.229 3.117 0.112 1
1 638 . 2 1 1 A 60 60 GLY CA C 60 45.350 45.652 -0.302 1
1 639 . 2 1 1 A 60 60 GLY N N 60 103.990 113.117 -9.127 1
1 640 . 2 1 1 A 61 61 HIS H H 61 7.880 8.099 -0.219 1
1 641 . 2 1 1 A 61 61 HIS HA H 61 4.868 5.295 -0.427 1
1 645 . 2 1 1 A 61 61 HIS CA C 61 53.920 54.377 -0.457 1
1 646 . 2 1 1 A 61 61 HIS CB C 61 33.020 33.788 -0.768 1
1 648 . 2 1 1 A 61 61 HIS N N 61 121.221 120.222 0.999 1
1 649 . 2 1 1 A 62 62 CYS H H 62 8.760 8.698 0.062 1
1 650 . 2 1 1 A 62 62 CYS HA H 62 4.248 4.824 -0.576 1
1 653 . 2 1 1 A 62 62 CYS CA C 62 61.730 57.526 4.204 1
1 654 . 2 1 1 A 62 62 CYS CB C 62 26.560 27.665 -1.105 1
1 655 . 2 1 1 A 62 62 CYS N N 62 121.842 120.839 1.003 1
1 656 . 2 1 1 A 63 63 VAL H H 63 8.109 8.829 -0.720 1
1 657 . 2 1 1 A 63 63 VAL HA H 63 4.869 4.726 0.143 1
1 665 . 2 1 1 A 63 63 VAL CA C 63 62.210 62.841 -0.631 1
1 666 . 2 1 1 A 63 63 VAL CB C 63 34.780 30.905 3.875 1
1 669 . 2 1 1 A 63 63 VAL N N 63 127.029 127.130 -0.101 1
1 670 . 2 1 1 A 64 64 THR H H 64 8.453 8.592 -0.139 1
1 671 . 2 1 1 A 64 64 THR HA H 64 5.349 4.572 0.777 1
1 676 . 2 1 1 A 64 64 THR CA C 64 61.100 62.228 -1.128 1
1 677 . 2 1 1 A 64 64 THR CB C 64 70.790 69.564 1.226 1
1 679 . 2 1 1 A 64 64 THR N N 64 116.830 120.889 -4.059 1
1 680 . 2 1 1 A 65 65 GLY H H 65 8.663 8.692 -0.029 1
1 681 . 2 1 1 A 65 65 GLY HA2 H 65 4.085 3.742 0.343 1
1 682 . 2 1 1 A 65 65 GLY HA3 H 65 3.480 4.252 -0.772 1
1 683 . 2 1 1 A 65 65 GLY CA C 65 46.570 45.933 0.637 1
1 684 . 2 1 1 A 65 65 GLY N N 65 107.680 109.352 -1.672 1
1 685 . 2 1 1 A 66 66 GLU H H 66 8.574 8.175 0.399 1
1 686 . 2 1 1 A 66 66 GLU HA H 66 5.150 5.032 0.118 1
1 689 . 2 1 1 A 66 66 GLU CA C 66 54.450 54.805 -0.355 1
1 690 . 2 1 1 A 66 66 GLU CB C 66 37.328 33.727 3.601 1
1 691 . 2 1 1 A 66 66 GLU N N 66 120.921 120.440 0.481 1
1 692 . 2 1 1 A 67 67 ILE H H 67 8.623 8.705 -0.082 1
1 693 . 2 1 1 A 67 67 ILE HA H 67 5.149 4.792 0.357 1
1 703 . 2 1 1 A 67 67 ILE CA C 67 60.180 60.307 -0.127 1
1 704 . 2 1 1 A 67 67 ILE CB C 67 40.210 37.710 2.500 1
1 708 . 2 1 1 A 67 67 ILE N N 67 121.340 123.791 -2.451 1
1 709 . 2 1 1 A 68 68 TYR H H 68 9.196 8.883 0.313 1
1 710 . 2 1 1 A 68 68 TYR HA H 68 5.001 4.944 0.057 1
1 717 . 2 1 1 A 68 68 TYR CA C 68 56.270 58.220 -1.950 1
1 718 . 2 1 1 A 68 68 TYR CB C 68 41.480 39.211 2.269 1
1 721 . 2 1 1 A 68 68 TYR N N 68 123.650 128.194 -4.544 1
1 722 . 2 1 1 A 69 69 GLU H H 69 9.302 9.132 0.170 1
1 723 . 2 1 1 A 69 69 GLU HA H 69 5.066 4.900 0.166 1
1 728 . 2 1 1 A 69 69 GLU CA C 69 55.180 56.889 -1.709 1
1 729 . 2 1 1 A 69 69 GLU CB C 69 31.420 30.603 0.817 1
1 731 . 2 1 1 A 69 69 GLU N N 69 124.090 125.375 -1.285 1
1 732 . 2 1 1 A 70 70 VAL H H 70 8.908 9.091 -0.183 1
1 733 . 2 1 1 A 70 70 VAL HA H 70 5.556 5.000 0.556 1
1 741 . 2 1 1 A 70 70 VAL CA C 70 57.780 58.943 -1.163 1
1 742 . 2 1 1 A 70 70 VAL CB C 70 35.400 36.505 -1.105 1
1 745 . 2 1 1 A 70 70 VAL N N 70 119.540 119.634 -0.094 1
1 746 . 2 1 1 A 71 71 ASP H H 71 7.939 8.300 -0.361 1
1 747 . 2 1 1 A 71 71 ASP HA H 71 4.909 4.958 -0.049 1
1 750 . 2 1 1 A 71 71 ASP CA C 71 51.240 51.830 -0.590 1
1 751 . 2 1 1 A 71 71 ASP CB C 71 42.210 42.492 -0.282 1
1 752 . 2 1 1 A 71 71 ASP N N 71 120.720 120.866 -0.146 1
1 753 . 2 1 1 A 72 72 GLU H H 72 8.364 8.965 -0.601 1
1 754 . 2 1 1 A 72 72 GLU HA H 72 3.869 3.959 -0.090 1
1 757 . 2 1 1 A 72 72 GLU CA C 72 59.775 60.351 -0.576 1
1 758 . 2 1 1 A 72 72 GLU CB C 72 29.140 29.403 -0.263 1
1 760 . 2 1 1 A 72 72 GLU N N 72 117.910 118.575 -0.665 1
1 761 . 2 1 1 A 73 73 GLN H H 73 7.960 8.289 -0.329 1
1 762 . 2 1 1 A 73 73 GLN HA H 73 3.899 4.104 -0.205 1
1 767 . 2 1 1 A 73 73 GLN CA C 73 59.570 58.618 0.952 1
1 768 . 2 1 1 A 73 73 GLN CB C 73 27.810 28.227 -0.417 1
1 770 . 2 1 1 A 73 73 GLN N N 73 119.617 119.711 -0.094 1
1 772 . 2 1 1 A 74 74 MET H H 74 8.489 8.310 0.179 1
1 773 . 2 1 1 A 74 74 MET HA H 74 4.766 4.292 0.474 1
1 780 . 2 1 1 A 74 74 MET CA C 74 56.790 58.457 -1.667 1
1 781 . 2 1 1 A 74 74 MET CB C 74 31.900 32.044 -0.144 1
1 784 . 2 1 1 A 74 74 MET N N 74 121.800 119.204 2.596 1
1 785 . 2 1 1 A 75 75 LEU H H 75 8.162 8.165 -0.003 1
1 786 . 2 1 1 A 75 75 LEU HA H 75 3.897 4.116 -0.219 1
1 796 . 2 1 1 A 75 75 LEU CA C 75 58.230 57.998 0.232 1
1 797 . 2 1 1 A 75 75 LEU CB C 75 42.160 41.611 0.549 1
1 801 . 2 1 1 A 75 75 LEU N N 75 120.230 121.832 -1.602 1
1 802 . 2 1 1 A 76 76 ARG H H 76 7.824 8.609 -0.785 1
1 803 . 2 1 1 A 76 76 ARG HA H 76 3.952 4.009 -0.057 1
1 811 . 2 1 1 A 76 76 ARG CA C 76 59.270 59.714 -0.444 1
1 812 . 2 1 1 A 76 76 ARG CB C 76 29.930 29.680 0.250 1
1 815 . 2 1 1 A 76 76 ARG N N 76 116.540 119.341 -2.801 1
1 817 . 2 1 1 A 77 77 PHE H H 77 8.137 8.064 0.073 1
1 818 . 2 1 1 A 77 77 PHE HA H 77 4.085 4.248 -0.163 1
1 825 . 2 1 1 A 77 77 PHE CA C 77 61.980 61.223 0.757 1
1 826 . 2 1 1 A 77 77 PHE CB C 77 38.530 38.892 -0.362 1
1 829 . 2 1 1 A 77 77 PHE N N 77 120.650 120.927 -0.277 1
1 830 . 2 1 1 A 78 78 LEU H H 78 9.071 8.550 0.521 1
1 831 . 2 1 1 A 78 78 LEU HA H 78 3.629 3.570 0.059 1
1 841 . 2 1 1 A 78 78 LEU CA C 78 57.730 57.648 0.082 1
1 842 . 2 1 1 A 78 78 LEU CB C 78 41.420 40.855 0.565 1
1 846 . 2 1 1 A 78 78 LEU N N 78 122.360 119.149 3.211 1
1 847 . 2 1 1 A 79 79 ASP H H 79 8.506 8.127 0.379 1
1 848 . 2 1 1 A 79 79 ASP HA H 79 4.320 4.574 -0.254 1
1 851 . 2 1 1 A 79 79 ASP CA C 79 57.190 58.182 -0.992 1
1 852 . 2 1 1 A 79 79 ASP CB C 79 39.420 42.212 -2.792 1
1 853 . 2 1 1 A 79 79 ASP N N 79 120.070 120.011 0.059 1
1 854 . 2 1 1 A 80 80 ASP H H 80 7.154 7.706 -0.552 1
1 855 . 2 1 1 A 80 80 ASP HA H 80 4.501 4.453 0.048 1
1 858 . 2 1 1 A 80 80 ASP CA C 80 56.700 56.490 0.210 1
1 859 . 2 1 1 A 80 80 ASP CB C 80 40.660 40.966 -0.306 1
1 860 . 2 1 1 A 80 80 ASP N N 80 118.890 119.619 -0.729 1
1 861 . 2 1 1 A 81 81 PHE H H 81 8.791 8.159 0.632 1
1 862 . 2 1 1 A 81 81 PHE HA H 81 3.659 4.012 -0.353 1
1 867 . 2 1 1 A 81 81 PHE CA C 81 61.640 60.477 1.163 1
1 868 . 2 1 1 A 81 81 PHE CB C 81 40.210 38.882 1.328 1
1 870 . 2 1 1 A 81 81 PHE N N 81 125.745 120.065 5.680 1
1 871 . 2 1 1 A 82 82 GLU H H 82 8.209 8.016 0.193 1
1 872 . 2 1 1 A 82 82 GLU HA H 82 3.956 4.328 -0.372 1
1 875 . 2 1 1 A 82 82 GLU CA C 82 55.060 56.220 -1.160 1
1 876 . 2 1 1 A 82 82 GLU CB C 82 28.910 29.422 -0.512 1
1 878 . 2 1 1 A 82 82 GLU N N 82 115.707 116.912 -1.205 1
1 879 . 2 1 1 A 83 83 ASP H H 83 7.615 8.153 -0.538 1
1 880 . 2 1 1 A 83 83 ASP HA H 83 4.236 4.225 0.011 1
1 883 . 2 1 1 A 83 83 ASP CA C 83 54.370 55.641 -1.271 1
1 884 . 2 1 1 A 83 83 ASP CB C 83 39.400 39.703 -0.303 1
1 885 . 2 1 1 A 83 83 ASP N N 83 116.517 118.009 -1.492 1
1 886 . 2 1 1 A 84 84 CYS H H 84 8.361 7.501 0.860 1
1 887 . 2 1 1 A 84 84 CYS HA H 84 5.522 4.746 0.776 1
1 890 . 2 1 1 A 84 84 CYS CA C 84 56.617 57.894 -1.277 1
1 891 . 2 1 1 A 84 84 CYS CB C 84 27.651 28.165 -0.514 1
1 892 . 2 1 1 A 84 84 CYS N N 84 119.420 115.751 3.669 1
1 893 . 2 1 1 A 85 85 PRO HA H 85 5.704 4.629 1.075 1
1 900 . 2 1 1 A 85 85 PRO CA C 85 64.355 64.150 0.205 1
1 901 . 2 1 1 A 85 85 PRO CB C 85 33.190 31.867 1.323 1
1 904 . 2 1 1 A 86 86 SER H H 86 8.389 8.357 0.032 1
1 905 . 2 1 1 A 86 86 SER HA H 86 4.175 4.215 -0.040 1
1 907 . 2 1 1 A 86 86 SER CA C 86 62.130 61.742 0.388 1
1 908 . 2 1 1 A 86 86 SER CB C 86 63.080 62.872 0.208 1
1 909 . 2 1 1 A 86 86 SER N N 86 122.195 114.697 7.498 1
1 910 . 2 1 1 A 87 87 MET H H 87 8.576 8.829 -0.253 1
1 911 . 2 1 1 A 87 87 MET HA H 87 4.475 4.473 0.002 1
1 918 . 2 1 1 A 87 87 MET CA C 87 57.520 58.450 -0.930 1
1 919 . 2 1 1 A 87 87 MET CB C 87 33.210 33.021 0.189 1
1 922 . 2 1 1 A 87 87 MET N N 87 121.299 119.477 1.822 1
1 923 . 2 1 1 A 88 88 TYR H H 88 6.778 8.336 -1.558 1
1 924 . 2 1 1 A 88 88 TYR HA H 88 5.023 4.994 0.029 1
1 931 . 2 1 1 A 88 88 TYR CA C 88 56.300 58.321 -2.021 1
1 932 . 2 1 1 A 88 88 TYR CB C 88 42.530 39.578 2.952 1
1 935 . 2 1 1 A 88 88 TYR N N 88 113.420 116.691 -3.271 1
1 936 . 2 1 1 A 89 89 GLN H H 89 9.567 9.308 0.259 1
1 937 . 2 1 1 A 89 89 GLN HA H 89 4.857 4.818 0.039 1
1 944 . 2 1 1 A 89 89 GLN CA C 89 55.870 54.273 1.597 1
1 945 . 2 1 1 A 89 89 GLN CB C 89 30.430 32.260 -1.830 1
1 947 . 2 1 1 A 89 89 GLN N N 89 115.440 119.049 -3.609 1
1 949 . 2 1 1 A 90 90 ARG H H 90 8.772 8.227 0.545 1
1 950 . 2 1 1 A 90 90 ARG HA H 90 4.499 4.289 0.210 1
1 958 . 2 1 1 A 90 90 ARG CA C 90 56.620 56.472 0.148 1
1 959 . 2 1 1 A 90 90 ARG CB C 90 29.020 30.607 -1.587 1
1 962 . 2 1 1 A 90 90 ARG N N 90 123.860 124.020 -0.160 1
1 964 . 2 1 1 A 91 91 THR H H 91 9.217 9.091 0.126 1
1 965 . 2 1 1 A 91 91 THR HA H 91 4.518 4.896 -0.378 1
1 970 . 2 1 1 A 91 91 THR CA C 91 60.570 60.842 -0.272 1
1 971 . 2 1 1 A 91 91 THR CB C 91 71.050 73.041 -1.991 1
1 973 . 2 1 1 A 91 91 THR N N 91 125.064 120.291 4.773 1
1 974 . 2 1 1 A 92 92 ALA H H 92 8.655 8.738 -0.083 1
1 975 . 2 1 1 A 92 92 ALA HA H 92 5.041 5.756 -0.715 1
1 979 . 2 1 1 A 92 92 ALA CA C 92 51.320 50.146 1.174 1
1 980 . 2 1 1 A 92 92 ALA CB C 92 19.480 22.445 -2.965 1
1 981 . 2 1 1 A 92 92 ALA N N 92 126.963 124.481 2.482 1
1 982 . 2 1 1 A 93 93 LEU H H 93 9.005 8.771 0.234 1
1 983 . 2 1 1 A 93 93 LEU HA H 93 4.720 5.319 -0.599 1
1 993 . 2 1 1 A 93 93 LEU CA C 93 53.750 53.529 0.221 1
1 994 . 2 1 1 A 93 93 LEU CB C 93 45.340 46.173 -0.833 1
1 998 . 2 1 1 A 93 93 LEU N N 93 122.440 118.584 3.856 1
1 999 . 2 1 1 A 94 94 GLN H H 94 8.360 8.763 -0.403 1
1 1000 . 2 1 1 A 94 94 GLN HA H 94 4.229 5.131 -0.902 1
1 1005 . 2 1 1 A 94 94 GLN CA C 94 56.040 54.196 1.844 1
1 1006 . 2 1 1 A 94 94 GLN CB C 94 28.780 32.191 -3.411 1
1 1008 . 2 1 1 A 94 94 GLN N N 94 119.357 119.609 -0.252 1
1 1010 . 2 1 1 A 95 95 VAL H H 95 8.612 9.040 -0.428 1
1 1011 . 2 1 1 A 95 95 VAL HA H 95 4.013 4.680 -0.667 1
1 1019 . 2 1 1 A 95 95 VAL CA C 95 61.440 60.485 0.955 1
1 1020 . 2 1 1 A 95 95 VAL CB C 95 35.110 35.073 0.037 1
1 1023 . 2 1 1 A 95 95 VAL N N 95 126.928 125.612 1.316 1
1 1024 . 2 1 1 A 96 96 GLN H H 96 9.222 8.636 0.586 1
1 1025 . 2 1 1 A 96 96 GLN HA H 96 4.279 4.712 -0.433 1
1 1032 . 2 1 1 A 96 96 GLN CA C 96 55.150 55.143 0.007 1
1 1033 . 2 1 1 A 96 96 GLN CB C 96 29.100 30.296 -1.196 1
1 1035 . 2 1 1 A 96 96 GLN N N 96 128.360 125.687 2.673 1
1 1037 . 2 1 1 A 97 97 VAL H H 97 8.233 9.153 -0.920 1
1 1038 . 2 1 1 A 97 97 VAL HA H 97 3.674 4.113 -0.439 1
1 1046 . 2 1 1 A 97 97 VAL CA C 97 64.040 63.250 0.790 1
1 1047 . 2 1 1 A 97 97 VAL CB C 97 31.920 30.764 1.156 1
1 1050 . 2 1 1 A 97 97 VAL N N 97 128.120 126.797 1.323 1
1 1051 . 2 1 1 A 98 98 LEU H H 98 8.880 8.719 0.161 1
1 1052 . 2 1 1 A 98 98 LEU HA H 98 4.472 4.284 0.188 1
1 1059 . 2 1 1 A 98 98 LEU CA C 98 55.641 56.187 -0.546 1
1 1060 . 2 1 1 A 98 98 LEU CB C 98 42.510 42.684 -0.174 1
1 1063 . 2 1 1 A 98 98 LEU N N 98 128.877 129.099 -0.222 1
1 1064 . 2 1 1 A 99 99 GLU H H 99 7.682 7.613 0.069 1
1 1065 . 2 1 1 A 99 99 GLU HA H 99 4.403 4.862 -0.459 1
1 1070 . 2 1 1 A 99 99 GLU CA C 99 56.310 55.588 0.722 1
1 1071 . 2 1 1 A 99 99 GLU CB C 99 32.790 33.139 -0.349 1
1 1073 . 2 1 1 A 99 99 GLU N N 99 118.210 116.450 1.760 1
1 1074 . 2 1 1 A 100 100 TRP H H 100 8.883 8.716 0.167 1
1 1075 . 2 1 1 A 100 100 TRP HA H 100 5.205 5.170 0.035 1
1 1084 . 2 1 1 A 100 100 TRP CA C 100 55.982 56.361 -0.379 1
1 1085 . 2 1 1 A 100 100 TRP CB C 100 32.430 32.907 -0.477 1
1 1091 . 2 1 1 A 100 100 TRP N N 100 126.421 126.321 0.100 1
1 1093 . 2 1 1 A 101 101 GLU H H 101 8.116 8.067 0.049 1
1 1094 . 2 1 1 A 101 101 GLU HA H 101 4.462 4.219 0.243 1
1 1098 . 2 1 1 A 101 101 GLU CA C 101 55.050 57.872 -2.822 1
1 1099 . 2 1 1 A 101 101 GLU CB C 101 30.950 28.750 2.200 1
1 1101 . 2 1 1 A 101 101 GLU N N 101 128.535 126.239 2.296 1
1 1102 . 2 1 1 A 102 102 GLY H H 102 7.614 8.474 -0.860 1
1 1103 . 2 1 1 A 102 102 GLY HA2 H 102 3.853 4.004 -0.151 1
1 1104 . 2 1 1 A 102 102 GLY HA3 H 102 3.905 4.053 -0.148 1
1 1105 . 2 1 1 A 102 102 GLY CA C 102 44.440 44.962 -0.522 1
1 1106 . 2 1 1 A 102 102 GLY N N 102 108.953 113.528 -4.575 1
1 1107 . 2 1 1 A 103 103 ASP H H 103 8.261 8.482 -0.221 1
1 1108 . 2 1 1 A 103 103 ASP HA H 103 4.641 4.498 0.143 1
1 1111 . 2 1 1 A 103 103 ASP CA C 103 54.530 55.614 -1.084 1
1 1112 . 2 1 1 A 103 103 ASP CB C 103 41.690 41.240 0.450 1
1 1113 . 2 1 1 A 103 103 ASP N N 103 118.730 123.513 -4.783 1
1 1114 . 2 1 1 A 104 104 GLY H H 104 8.526 9.032 -0.506 1
1 1115 . 2 1 1 A 104 104 GLY HA2 H 104 3.719 3.906 -0.187 1
1 1116 . 2 1 1 A 104 104 GLY HA3 H 104 3.892 3.994 -0.102 1
1 1117 . 2 1 1 A 104 104 GLY CA C 104 45.960 46.987 -1.027 1
1 1118 . 2 1 1 A 104 104 GLY N N 104 109.230 113.424 -4.194 1
1 1119 . 2 1 1 A 105 105 ASP H H 105 7.806 7.963 -0.157 1
1 1120 . 2 1 1 A 105 105 ASP HA H 105 3.381 3.907 -0.526 1
1 1123 . 2 1 1 A 105 105 ASP CA C 105 51.020 50.242 0.778 1
1 1124 . 2 1 1 A 105 105 ASP CB C 105 41.406 40.740 0.666 1
1 1125 . 2 1 1 A 105 105 ASP N N 105 119.739 119.731 0.008 1
1 1126 . 2 1 1 A 106 106 PRO HA H 106 4.065 4.205 -0.140 1
1 1133 . 2 1 1 A 106 106 PRO CA C 106 62.970 63.565 -0.595 1
1 1134 . 2 1 1 A 106 106 PRO CB C 106 31.660 31.903 -0.243 1
1 1137 . 2 1 1 A 107 107 GLY H H 107 7.863 7.063 0.800 1
1 1138 . 2 1 1 A 107 107 GLY HA2 H 107 3.401 3.975 -0.574 1
1 1139 . 2 1 1 A 107 107 GLY HA3 H 107 4.103 3.980 0.123 1
1 1140 . 2 1 1 A 107 107 GLY CA C 107 44.170 43.627 0.543 1
1 1141 . 2 1 1 A 107 107 GLY N N 107 109.610 108.443 1.167 1
1 1142 . 2 1 1 A 108 108 ASP H H 108 8.171 8.697 -0.526 1
1 1143 . 2 1 1 A 108 108 ASP HA H 108 4.283 4.479 -0.196 1
1 1145 . 2 1 1 A 108 108 ASP CA C 108 56.430 55.804 0.626 1
1 1146 . 2 1 1 A 108 108 ASP CB C 108 41.490 41.160 0.330 1
1 1147 . 2 1 1 A 108 108 ASP N N 108 119.264 121.371 -2.107 1
1 1148 . 2 1 1 A 109 109 SER H H 109 7.560 8.027 -0.467 1
1 1149 . 2 1 1 A 109 109 SER HA H 109 5.188 5.199 -0.011 1
1 1152 . 2 1 1 A 109 109 SER CA C 109 56.740 56.633 0.107 1
1 1153 . 2 1 1 A 109 109 SER CB C 109 65.780 66.647 -0.867 1
1 1154 . 2 1 1 A 109 109 SER N N 109 110.810 111.091 -0.281 1
1 1155 . 2 1 1 A 110 110 VAL H H 110 8.932 8.974 -0.042 1
1 1156 . 2 1 1 A 110 110 VAL HA H 110 4.262 4.899 -0.637 1
1 1164 . 2 1 1 A 110 110 VAL CA C 110 59.470 58.859 0.611 1
1 1165 . 2 1 1 A 110 110 VAL CB C 110 35.400 36.082 -0.682 1
1 1168 . 2 1 1 A 110 110 VAL N N 110 118.530 115.910 2.620 1
1 1169 . 2 1 1 A 111 111 GLN H H 111 8.468 8.726 -0.258 1
1 1170 . 2 1 1 A 111 111 GLN HA H 111 4.422 5.362 -0.940 1
1 1177 . 2 1 1 A 111 111 GLN CA C 111 55.960 54.501 1.459 1
1 1178 . 2 1 1 A 111 111 GLN CB C 111 29.470 31.491 -2.021 1
1 1180 . 2 1 1 A 111 111 GLN N N 111 127.378 121.045 6.333 1
1 1182 . 2 1 1 A 112 112 CYS H H 112 8.785 8.373 0.412 1
1 1183 . 2 1 1 A 112 112 CYS HA H 112 4.782 4.906 -0.124 1
1 1186 . 2 1 1 A 112 112 CYS CA C 112 57.100 57.022 0.078 1
1 1187 . 2 1 1 A 112 112 CYS CB C 112 33.700 31.115 2.585 1
1 1188 . 2 1 1 A 112 112 CYS N N 112 122.300 121.324 0.976 1
1 1189 . 2 1 1 A 113 113 PHE H H 113 8.838 8.330 0.508 1
1 1190 . 2 1 1 A 113 113 PHE HA H 113 5.154 5.256 -0.102 1
1 1197 . 2 1 1 A 113 113 PHE CA C 113 58.650 57.493 1.157 1
1 1198 . 2 1 1 A 113 113 PHE CB C 113 40.210 41.068 -0.858 1
1 1201 . 2 1 1 A 113 113 PHE N N 113 118.974 121.255 -2.281 1
1 1202 . 2 1 1 A 114 114 VAL H H 114 9.079 8.762 0.317 1
1 1203 . 2 1 1 A 114 114 VAL HA H 114 4.472 4.959 -0.487 1
1 1211 . 2 1 1 A 114 114 VAL CA C 114 60.650 60.913 -0.263 1
1 1212 . 2 1 1 A 114 114 VAL CB C 114 35.970 36.134 -0.164 1
1 1215 . 2 1 1 A 114 114 VAL N N 114 121.660 120.664 0.996 1
1 1216 . 2 1 1 A 115 115 TYR H H 115 9.672 9.193 0.479 1
1 1217 . 2 1 1 A 115 115 TYR HA H 115 4.988 5.033 -0.045 1
1 1224 . 2 1 1 A 115 115 TYR CA C 115 59.240 57.124 2.116 1
1 1225 . 2 1 1 A 115 115 TYR CB C 115 36.925 38.158 -1.233 1
1 1228 . 2 1 1 A 115 115 TYR N N 115 127.830 125.614 2.216 1
1 1229 . 2 1 1 A 116 116 THR H H 116 9.061 8.789 0.272 1
1 1230 . 2 1 1 A 116 116 THR HA H 116 5.435 5.245 0.190 1
1 1235 . 2 1 1 A 116 116 THR CA C 116 60.130 60.445 -0.315 1
1 1236 . 2 1 1 A 116 116 THR CB C 116 71.910 70.358 1.552 1
1 1238 . 2 1 1 A 116 116 THR N N 116 119.130 114.832 4.298 1
1 1239 . 2 1 1 A 117 117 THR H H 117 8.707 8.773 -0.066 1
1 1240 . 2 1 1 A 117 117 THR HA H 117 5.561 5.128 0.433 1
1 1245 . 2 1 1 A 117 117 THR CA C 117 60.160 60.361 -0.201 1
1 1246 . 2 1 1 A 117 117 THR CB C 117 70.170 71.481 -1.311 1
1 1248 . 2 1 1 A 117 117 THR N N 117 111.190 114.814 -3.624 1
1 1249 . 2 1 1 A 118 118 ALA H H 118 9.257 8.220 1.037 1
1 1250 . 2 1 1 A 118 118 ALA HA H 118 5.033 4.894 0.139 1
1 1254 . 2 1 1 A 118 118 ALA CA C 118 51.550 51.218 0.332 1
1 1255 . 2 1 1 A 118 118 ALA CB C 118 20.050 20.489 -0.439 1
1 1256 . 2 1 1 A 118 118 ALA N N 118 132.010 127.690 4.320 1
1 1257 . 2 1 1 A 119 119 THR H H 119 8.628 7.454 1.174 1
1 1258 . 2 1 1 A 119 119 THR HA H 119 4.143 4.240 -0.097 1
1 1263 . 2 1 1 A 119 119 THR CA C 119 60.090 60.417 -0.327 1
1 1264 . 2 1 1 A 119 119 THR CB C 119 68.056 69.543 -1.487 1
1 1266 . 2 1 1 A 119 119 THR N N 119 114.350 114.369 -0.019 1
1 1267 . 2 1 1 A 120 120 TYR H H 120 6.281 7.036 -0.755 1
1 1268 . 2 1 1 A 120 120 TYR HA H 120 3.594 4.131 -0.537 1
1 1273 . 2 1 1 A 120 120 TYR CA C 120 53.530 57.300 -3.770 1
1 1274 . 2 1 1 A 120 120 TYR CB C 120 40.072 39.764 0.308 1
1 1276 . 2 1 1 A 120 120 TYR N N 120 117.205 121.344 -4.139 1
1 1277 . 2 1 1 A 121 121 ALA HA H 121 5.030 4.086 0.944 1
1 1278 . 2 1 1 A 121 121 ALA CA C 121 51.536 50.221 1.315 1
1 1279 . 2 1 1 A 122 122 PRO HA H 122 4.059 4.355 -0.296 1
1 1285 . 2 1 1 A 122 122 PRO CA C 122 65.435 65.013 0.422 1
1 1286 . 2 1 1 A 122 122 PRO CB C 122 31.680 32.035 -0.355 1
1 1289 . 2 1 1 A 123 123 GLU H H 123 9.336 9.087 0.249 1
1 1290 . 2 1 1 A 123 123 GLU HA H 123 4.169 4.410 -0.241 1
1 1294 . 2 1 1 A 123 123 GLU CA C 123 59.100 59.190 -0.090 1
1 1295 . 2 1 1 A 123 123 GLU CB C 123 27.940 28.701 -0.761 1
1 1297 . 2 1 1 A 123 123 GLU N N 123 115.528 116.073 -0.545 1
1 1298 . 2 1 1 A 124 124 TRP H H 124 8.560 7.854 0.706 1
1 1299 . 2 1 1 A 124 124 TRP HA H 124 4.671 4.516 0.155 1
1 1308 . 2 1 1 A 124 124 TRP CA C 124 57.370 60.250 -2.880 1
1 1309 . 2 1 1 A 124 124 TRP CB C 124 28.310 28.718 -0.408 1
1 1315 . 2 1 1 A 124 124 TRP N N 124 123.431 119.848 3.583 1
1 1317 . 2 1 1 A 125 125 LEU H H 125 7.378 7.547 -0.169 1
1 1318 . 2 1 1 A 125 125 LEU HA H 125 4.065 4.198 -0.133 1
1 1328 . 2 1 1 A 125 125 LEU CA C 125 56.060 56.071 -0.011 1
1 1329 . 2 1 1 A 125 125 LEU CB C 125 41.220 41.267 -0.047 1
1 1333 . 2 1 1 A 125 125 LEU N N 125 113.660 120.676 -7.016 1
1 1334 . 2 1 1 A 126 126 PHE H H 126 7.415 8.196 -0.781 1
1 1335 . 2 1 1 A 126 126 PHE HA H 126 4.640 4.667 -0.027 1
1 1342 . 2 1 1 A 126 126 PHE CA C 126 56.940 57.974 -1.034 1
1 1343 . 2 1 1 A 126 126 PHE CB C 126 38.670 40.120 -1.450 1
1 1346 . 2 1 1 A 126 126 PHE N N 126 116.360 116.233 0.127 1
1 1347 . 2 1 1 A 127 127 LEU H H 127 7.168 7.112 0.056 1
1 1348 . 2 1 1 A 127 127 LEU HA H 127 4.529 4.419 0.110 1
1 1358 . 2 1 1 A 127 127 LEU CA C 127 53.580 53.510 0.070 1
1 1359 . 2 1 1 A 127 127 LEU CB C 127 40.832 41.350 -0.518 1
1 1363 . 2 1 1 A 127 127 LEU N N 127 122.990 121.077 1.913 1
1 1364 . 2 1 1 A 128 128 PRO HA H 128 3.986 4.370 -0.384 1
1 1371 . 2 1 1 A 128 128 PRO CA C 128 63.140 62.406 0.734 1
1 1372 . 2 1 1 A 128 128 PRO CB C 128 31.993 31.748 0.245 1
1 1375 . 2 1 1 A 129 129 TYR H H 129 8.070 8.212 -0.142 1
1 1376 . 2 1 1 A 129 129 TYR HA H 129 5.529 5.269 0.260 1
1 1383 . 2 1 1 A 129 129 TYR CA C 129 52.486 57.811 -5.325 1
1 1384 . 2 1 1 A 129 129 TYR CB C 129 36.760 40.224 -3.464 1
1 1387 . 2 1 1 A 129 129 TYR N N 129 120.100 120.923 -0.823 1
1 1388 . 2 1 1 A 130 130 HIS H H 130 9.193 8.790 0.403 1
1 1389 . 2 1 1 A 130 130 HIS HA H 130 4.733 5.215 -0.482 1
1 1393 . 2 1 1 A 130 130 HIS CA C 130 55.920 54.310 1.610 1
1 1394 . 2 1 1 A 130 130 HIS CB C 130 32.908 32.572 0.336 1
1 1396 . 2 1 1 A 130 130 HIS N N 130 121.985 120.140 1.845 1
1 1397 . 2 1 1 A 131 131 GLU H H 131 9.093 9.308 -0.215 1
1 1398 . 2 1 1 A 131 131 GLU HA H 131 4.277 4.424 -0.147 1
1 1402 . 2 1 1 A 131 131 GLU CA C 131 58.110 58.286 -0.176 1
1 1403 . 2 1 1 A 131 131 GLU CB C 131 30.700 31.160 -0.460 1
1 1405 . 2 1 1 A 131 131 GLU N N 131 122.150 125.181 -3.031 1
1 1406 . 2 1 1 A 132 132 SER H H 132 7.621 7.934 -0.313 1
1 1407 . 2 1 1 A 132 132 SER HA H 132 4.686 4.856 -0.170 1
1 1410 . 2 1 1 A 132 132 SER CA C 132 56.340 57.566 -1.226 1
1 1411 . 2 1 1 A 132 132 SER CB C 132 65.050 65.588 -0.538 1
1 1412 . 2 1 1 A 132 132 SER N N 132 108.030 113.521 -5.491 1
1 1413 . 2 1 1 A 133 133 TYR H H 133 8.667 8.978 -0.311 1
1 1414 . 2 1 1 A 133 133 TYR HA H 133 4.564 5.015 -0.451 1
1 1419 . 2 1 1 A 133 133 TYR CA C 133 57.910 58.833 -0.923 1
1 1420 . 2 1 1 A 133 133 TYR CB C 133 40.720 40.031 0.689 1
1 1422 . 2 1 1 A 133 133 TYR N N 133 121.977 127.932 -5.955 1
1 1423 . 2 1 1 A 134 134 ASP H H 134 7.303 9.064 -1.761 1
1 1424 . 2 1 1 A 134 134 ASP HA H 134 3.944 4.736 -0.792 1
1 1427 . 2 1 1 A 134 134 ASP CA C 134 52.540 52.926 -0.386 1
1 1428 . 2 1 1 A 134 134 ASP CB C 134 42.900 44.529 -1.629 1
1 1429 . 2 1 1 A 134 134 ASP N N 134 127.820 124.682 3.138 1
1 1430 . 2 1 1 A 135 135 SER H H 135 9.392 8.554 0.838 1
1 1431 . 2 1 1 A 135 135 SER HA H 135 3.945 4.472 -0.527 1
1 1434 . 2 1 1 A 135 135 SER CA C 135 61.770 59.146 2.624 1
1 1435 . 2 1 1 A 135 135 SER CB C 135 63.561 63.831 -0.270 1
1 1436 . 2 1 1 A 135 135 SER N N 135 127.670 114.491 13.179 1
1 1437 . 2 1 1 A 136 136 GLU H H 136 7.546 7.965 -0.419 1
1 1438 . 2 1 1 A 136 136 GLU HA H 136 4.233 4.559 -0.326 1
1 1443 . 2 1 1 A 136 136 GLU CA C 136 54.796 56.087 -1.291 1
1 1444 . 2 1 1 A 136 136 GLU CB C 136 28.420 31.064 -2.644 1
1 1446 . 2 1 1 A 136 136 GLU N N 136 113.107 119.470 -6.363 1
1 1447 . 2 1 1 A 137 137 GLY H H 137 7.241 8.381 -1.140 1
1 1448 . 2 1 1 A 137 137 GLY HA2 H 137 3.994 4.090 -0.096 1
1 1449 . 2 1 1 A 137 137 GLY HA3 H 137 3.503 4.132 -0.629 1
1 1450 . 2 1 1 A 137 137 GLY CA C 137 44.880 43.824 1.056 1
1 1451 . 2 1 1 A 137 137 GLY N N 137 104.690 108.642 -3.952 1
1 1452 . 2 1 1 A 138 138 PRO HA H 138 4.211 4.339 -0.128 1
1 1459 . 2 1 1 A 138 138 PRO CA C 138 64.830 64.599 0.231 1
1 1460 . 2 1 1 A 138 138 PRO CB C 138 31.180 31.833 -0.653 1
1 1463 . 2 1 1 A 139 139 HIS H H 139 6.414 7.741 -1.327 1
1 1464 . 2 1 1 A 139 139 HIS HA H 139 4.299 4.829 -0.530 1
1 1467 . 2 1 1 A 139 139 HIS CA C 139 55.080 54.698 0.382 1
1 1468 . 2 1 1 A 139 139 HIS CB C 139 30.260 27.838 2.422 1
1 1470 . 2 1 1 A 139 139 HIS N N 139 116.498 115.715 0.783 1
1 1471 . 2 1 1 A 140 140 GLY H H 140 7.082 8.787 -1.705 1
1 1472 . 2 1 1 A 140 140 GLY HA2 H 140 3.919 3.836 0.083 1
1 1473 . 2 1 1 A 140 140 GLY HA3 H 140 3.721 3.842 -0.121 1
1 1474 . 2 1 1 A 140 140 GLY CA C 140 46.590 46.827 -0.237 1
1 1475 . 2 1 1 A 140 140 GLY N N 140 108.485 110.806 -2.321 1
1 1476 . 2 1 1 A 141 141 LEU HA H 141 4.451 4.339 0.112 1
1 1483 . 2 1 1 A 141 141 LEU CA C 141 53.024 54.553 -1.529 1
1 1484 . 2 1 1 A 141 141 LEU CB C 141 39.500 41.241 -1.741 1
1 1487 . 2 1 1 A 142 142 ARG H H 142 7.472 8.225 -0.753 1
1 1488 . 2 1 1 A 142 142 ARG HA H 142 4.724 4.969 -0.245 1
1 1493 . 2 1 1 A 142 142 ARG CA C 142 55.940 54.340 1.600 1
1 1494 . 2 1 1 A 142 142 ARG CB C 142 31.070 31.926 -0.856 1
1 1497 . 2 1 1 A 142 142 ARG N N 142 121.987 122.750 -0.763 1
1 1499 . 2 1 1 A 143 143 TYR H H 143 8.487 8.996 -0.509 1
1 1500 . 2 1 1 A 143 143 TYR HA H 143 4.474 4.663 -0.189 1
1 1507 . 2 1 1 A 143 143 TYR CA C 143 59.015 59.700 -0.685 1
1 1508 . 2 1 1 A 143 143 TYR CB C 143 38.720 39.354 -0.634 1
1 1511 . 2 1 1 A 143 143 TYR N N 143 127.896 122.907 4.989 1
1 1512 . 2 1 1 A 144 144 ASN H H 144 7.805 7.553 0.252 1
1 1513 . 2 1 1 A 144 144 ASN HA H 144 4.892 5.694 -0.802 1
1 1518 . 2 1 1 A 144 144 ASN CA C 144 50.120 50.232 -0.112 1
1 1519 . 2 1 1 A 144 144 ASN CB C 144 39.360 39.478 -0.118 1
1 1520 . 2 1 1 A 144 144 ASN N N 144 125.629 125.861 -0.232 1
1 1522 . 2 1 1 A 145 145 PRO HA H 145 3.975 4.183 -0.208 1
1 1528 . 2 1 1 A 145 145 PRO CA C 145 63.140 64.582 -1.442 1
1 1529 . 2 1 1 A 145 145 PRO CB C 145 32.386 31.957 0.429 1
1 1532 . 2 1 1 A 146 146 ARG H H 146 8.055 7.683 0.372 1
1 1533 . 2 1 1 A 146 146 ARG HA H 146 3.918 4.516 -0.598 1
1 1541 . 2 1 1 A 146 146 ARG CA C 146 56.740 55.802 0.938 1
1 1542 . 2 1 1 A 146 146 ARG CB C 146 30.430 31.892 -1.462 1
1 1545 . 2 1 1 A 146 146 ARG N N 146 120.069 116.389 3.680 1
1 1547 . 2 1 1 A 147 147 GLU H H 147 8.440 7.625 0.815 1
1 1548 . 2 1 1 A 147 147 GLU HA H 147 4.167 4.312 -0.145 1
1 1552 . 2 1 1 A 147 147 GLU CA C 147 56.710 56.661 0.049 1
1 1553 . 2 1 1 A 147 147 GLU CB C 147 30.150 28.648 1.502 1
1 1555 . 2 1 1 A 147 147 GLU N N 147 120.760 118.723 2.037 1
1 1556 . 2 1 1 A 148 148 ASN H H 148 8.363 8.869 -0.506 1
1 1557 . 2 1 1 A 148 148 ASN HA H 148 4.652 4.206 0.446 1
1 1562 . 2 1 1 A 148 148 ASN CA C 148 53.240 54.224 -0.984 1
1 1563 . 2 1 1 A 148 148 ASN CB C 148 38.840 36.886 1.954 1
1 1564 . 2 1 1 A 148 148 ASN N N 148 120.210 115.786 4.424 1
1 1 . 3 1 1 A 2 2 ALA HA H 2 4.182 4.659 -0.477 1
1 5 . 3 1 1 A 2 2 ALA CA C 2 51.510 51.052 0.458 1
1 6 . 3 1 1 A 2 2 ALA CB C 2 20.090 19.436 0.654 1
1 7 . 3 1 1 A 3 3 HIS H H 3 9.173 8.668 0.505 1
1 8 . 3 1 1 A 3 3 HIS HA H 3 5.839 4.820 1.019 1
1 12 . 3 1 1 A 3 3 HIS CA C 3 56.960 57.133 -0.173 1
1 13 . 3 1 1 A 3 3 HIS CB C 3 32.820 30.985 1.835 1
1 15 . 3 1 1 A 3 3 HIS N N 3 118.801 122.285 -3.484 1
1 16 . 3 1 1 A 4 4 ILE H H 4 9.494 8.590 0.904 1
1 17 . 3 1 1 A 4 4 ILE HA H 4 5.508 5.081 0.427 1
1 27 . 3 1 1 A 4 4 ILE CA C 4 58.300 59.564 -1.264 1
1 28 . 3 1 1 A 4 4 ILE CB C 4 41.930 42.148 -0.218 1
1 32 . 3 1 1 A 4 4 ILE N N 4 118.202 117.650 0.552 1
1 33 . 3 1 1 A 5 5 PHE H H 5 8.815 8.949 -0.134 1
1 34 . 3 1 1 A 5 5 PHE HA H 5 5.789 4.926 0.863 1
1 42 . 3 1 1 A 5 5 PHE CA C 5 55.153 57.832 -2.679 1
1 43 . 3 1 1 A 5 5 PHE CB C 5 40.740 40.520 0.220 1
1 47 . 3 1 1 A 5 5 PHE N N 5 126.107 125.492 0.615 1
1 48 . 3 1 1 A 6 6 VAL H H 6 9.078 8.160 0.918 1
1 49 . 3 1 1 A 6 6 VAL HA H 6 4.357 4.393 -0.036 1
1 57 . 3 1 1 A 6 6 VAL CA C 6 59.157 61.180 -2.023 1
1 58 . 3 1 1 A 6 6 VAL CB C 6 33.473 33.406 0.067 1
1 61 . 3 1 1 A 6 6 VAL N N 6 118.658 121.603 -2.945 1
1 62 . 3 1 1 A 7 7 TYR H H 7 6.878 9.001 -2.123 1
1 63 . 3 1 1 A 7 7 TYR HA H 7 4.170 4.453 -0.283 1
1 66 . 3 1 1 A 7 7 TYR CB C 7 36.608 40.383 -3.775 1
1 67 . 3 1 1 A 7 7 TYR N N 7 116.860 122.779 -5.919 1
1 68 . 3 1 1 A 8 8 GLY HA2 H 8 4.195 4.034 0.161 1
1 69 . 3 1 1 A 8 8 GLY HA3 H 8 2.933 4.117 -1.184 1
1 70 . 3 1 1 A 8 8 GLY CA C 8 46.169 45.805 0.364 1
1 71 . 3 1 1 A 9 9 THR H H 9 7.618 8.447 -0.829 1
1 72 . 3 1 1 A 9 9 THR HA H 9 3.831 4.096 -0.265 1
1 77 . 3 1 1 A 9 9 THR CA C 9 64.570 64.948 -0.378 1
1 78 . 3 1 1 A 9 9 THR CB C 9 68.494 68.629 -0.135 1
1 80 . 3 1 1 A 9 9 THR N N 9 115.934 114.568 1.366 1
1 81 . 3 1 1 A 10 10 LEU H H 10 7.561 7.545 0.016 1
1 82 . 3 1 1 A 10 10 LEU HA H 10 3.673 4.254 -0.581 1
1 92 . 3 1 1 A 10 10 LEU CA C 10 55.950 53.550 2.400 1
1 93 . 3 1 1 A 10 10 LEU CB C 10 41.610 42.535 -0.925 1
1 97 . 3 1 1 A 10 10 LEU N N 10 120.151 120.327 -0.176 1
1 98 . 3 1 1 A 11 11 LYS H H 11 6.738 8.443 -1.705 1
1 99 . 3 1 1 A 11 11 LYS HA H 11 4.007 4.618 -0.611 1
1 103 . 3 1 1 A 11 11 LYS CA C 11 57.390 57.728 -0.338 1
1 104 . 3 1 1 A 11 11 LYS CB C 11 34.322 33.464 0.858 1
1 106 . 3 1 1 A 11 11 LYS N N 11 116.295 124.374 -8.079 1
1 107 . 3 1 1 A 12 12 ARG H H 12 9.432 8.105 1.327 1
1 108 . 3 1 1 A 12 12 ARG HA H 12 2.029 4.193 -2.164 1
1 115 . 3 1 1 A 12 12 ARG CA C 12 58.420 59.247 -0.827 1
1 116 . 3 1 1 A 12 12 ARG CB C 12 29.190 30.927 -1.737 1
1 119 . 3 1 1 A 12 12 ARG N N 12 120.863 119.330 1.533 1
1 120 . 3 1 1 A 13 13 GLY H H 13 8.048 7.787 0.261 1
1 121 . 3 1 1 A 13 13 GLY HA2 H 13 3.990 4.130 -0.140 1
1 122 . 3 1 1 A 13 13 GLY HA3 H 13 3.538 4.161 -0.623 1
1 123 . 3 1 1 A 13 13 GLY CA C 13 45.490 45.775 -0.285 1
1 124 . 3 1 1 A 13 13 GLY N N 13 111.120 106.353 4.767 1
1 125 . 3 1 1 A 14 14 GLN H H 14 7.904 7.672 0.232 1
1 126 . 3 1 1 A 14 14 GLN HA H 14 4.682 4.473 0.209 1
1 133 . 3 1 1 A 14 14 GLN CA C 14 53.440 54.689 -1.249 1
1 134 . 3 1 1 A 14 14 GLN CB C 14 27.115 28.579 -1.464 1
1 136 . 3 1 1 A 14 14 GLN N N 14 117.811 120.199 -2.388 1
1 138 . 3 1 1 A 15 15 PRO HA H 15 4.342 4.523 -0.181 1
1 145 . 3 1 1 A 15 15 PRO CA C 15 66.870 64.446 2.424 1
1 146 . 3 1 1 A 15 15 PRO CB C 15 34.060 31.920 2.140 1
1 149 . 3 1 1 A 16 16 ASN H H 16 8.287 8.560 -0.273 1
1 150 . 3 1 1 A 16 16 ASN HA H 16 5.356 4.724 0.632 1
1 155 . 3 1 1 A 16 16 ASN CA C 16 52.230 54.266 -2.036 1
1 156 . 3 1 1 A 16 16 ASN CB C 16 39.030 38.927 0.103 1
1 157 . 3 1 1 A 16 16 ASN N N 16 110.638 115.803 -5.165 1
1 159 . 3 1 1 A 17 17 HIS H H 17 7.819 7.732 0.087 1
1 160 . 3 1 1 A 17 17 HIS HA H 17 3.815 4.115 -0.300 1
1 164 . 3 1 1 A 17 17 HIS CA C 17 60.140 60.169 -0.029 1
1 165 . 3 1 1 A 17 17 HIS CB C 17 27.680 29.792 -2.112 1
1 167 . 3 1 1 A 17 17 HIS N N 17 121.058 120.782 0.276 1
1 168 . 3 1 1 A 18 18 LYS H H 18 8.326 8.243 0.083 1
1 169 . 3 1 1 A 18 18 LYS HA H 18 3.695 4.051 -0.356 1
1 175 . 3 1 1 A 18 18 LYS CA C 18 58.890 58.768 0.122 1
1 176 . 3 1 1 A 18 18 LYS CB C 18 31.070 31.729 -0.659 1
1 180 . 3 1 1 A 18 18 LYS N N 18 112.812 117.282 -4.470 1
1 181 . 3 1 1 A 19 19 VAL H H 19 7.373 7.568 -0.195 1
1 182 . 3 1 1 A 19 19 VAL HA H 19 3.816 3.915 -0.099 1
1 190 . 3 1 1 A 19 19 VAL CA C 19 64.960 64.778 0.182 1
1 191 . 3 1 1 A 19 19 VAL CB C 19 30.960 31.236 -0.276 1
1 194 . 3 1 1 A 19 19 VAL N N 19 117.691 116.273 1.418 1
1 195 . 3 1 1 A 20 20 MET H H 20 7.329 8.246 -0.917 1
1 196 . 3 1 1 A 20 20 MET HA H 20 3.951 4.282 -0.331 1
1 204 . 3 1 1 A 20 20 MET CA C 20 55.560 56.213 -0.653 1
1 205 . 3 1 1 A 20 20 MET CB C 20 31.460 31.483 -0.023 1
1 208 . 3 1 1 A 20 20 MET N N 20 114.870 118.106 -3.236 1
1 209 . 3 1 1 A 21 21 LEU H H 21 6.718 7.764 -1.046 1
1 210 . 3 1 1 A 21 21 LEU HA H 21 4.091 4.676 -0.585 1
1 220 . 3 1 1 A 21 21 LEU CA C 21 54.140 54.148 -0.008 1
1 221 . 3 1 1 A 21 21 LEU CB C 21 42.310 42.152 0.158 1
1 225 . 3 1 1 A 21 21 LEU N N 21 116.021 118.056 -2.035 1
1 226 . 3 1 1 A 22 22 ASP H H 22 6.399 7.602 -1.203 1
1 227 . 3 1 1 A 22 22 ASP HA H 22 4.288 4.778 -0.490 1
1 229 . 3 1 1 A 22 22 ASP CA C 22 52.776 52.977 -0.201 1
1 230 . 3 1 1 A 22 22 ASP CB C 22 40.180 41.624 -1.444 1
1 231 . 3 1 1 A 22 22 ASP N N 22 117.972 120.062 -2.090 1
1 232 . 3 1 1 A 23 23 HIS H H 23 8.601 8.762 -0.161 1
1 233 . 3 1 1 A 23 23 HIS HA H 23 4.848 4.114 0.734 1
1 237 . 3 1 1 A 23 23 HIS CA C 23 55.800 59.271 -3.471 1
1 238 . 3 1 1 A 23 23 HIS CB C 23 27.860 30.062 -2.202 1
1 240 . 3 1 1 A 23 23 HIS N N 23 123.395 125.610 -2.215 1
1 241 . 3 1 1 A 24 24 SER H H 24 8.526 8.114 0.412 1
1 242 . 3 1 1 A 24 24 SER HA H 24 4.105 3.971 0.134 1
1 244 . 3 1 1 A 24 24 SER CA C 24 60.870 61.933 -1.063 1
1 245 . 3 1 1 A 24 24 SER CB C 24 62.510 63.309 -0.799 1
1 246 . 3 1 1 A 24 24 SER N N 24 117.035 115.327 1.708 1
1 247 . 3 1 1 A 25 25 HIS H H 25 7.450 7.856 -0.406 1
1 248 . 3 1 1 A 25 25 HIS HA H 25 4.494 3.928 0.566 1
1 252 . 3 1 1 A 25 25 HIS CA C 25 53.900 58.329 -4.429 1
1 253 . 3 1 1 A 25 25 HIS CB C 25 28.320 29.454 -1.134 1
1 255 . 3 1 1 A 25 25 HIS N N 25 117.560 117.679 -0.119 1
1 256 . 3 1 1 A 26 26 GLY H H 26 6.926 7.042 -0.116 1
1 257 . 3 1 1 A 26 26 GLY HA2 H 26 3.587 3.799 -0.212 1
1 258 . 3 1 1 A 26 26 GLY HA3 H 26 4.362 3.910 0.452 1
1 259 . 3 1 1 A 26 26 GLY CA C 26 43.730 45.120 -1.390 1
1 260 . 3 1 1 A 26 26 GLY N N 26 103.120 104.236 -1.116 1
1 261 . 3 1 1 A 27 27 LEU H H 27 8.579 8.259 0.320 1
1 262 . 3 1 1 A 27 27 LEU HA H 27 4.327 4.643 -0.316 1
1 271 . 3 1 1 A 27 27 LEU CA C 27 54.520 55.521 -1.001 1
1 272 . 3 1 1 A 27 27 LEU CB C 27 44.250 42.619 1.631 1
1 276 . 3 1 1 A 27 27 LEU N N 27 121.940 121.254 0.686 1
1 277 . 3 1 1 A 28 28 ALA H H 28 7.776 8.675 -0.899 1
1 278 . 3 1 1 A 28 28 ALA HA H 28 5.231 5.389 -0.158 1
1 282 . 3 1 1 A 28 28 ALA CA C 28 50.990 51.620 -0.630 1
1 283 . 3 1 1 A 28 28 ALA CB C 28 22.580 20.726 1.854 1
1 284 . 3 1 1 A 28 28 ALA N N 28 123.020 128.838 -5.818 1
1 285 . 3 1 1 A 29 29 ALA H H 29 9.231 9.271 -0.040 1
1 286 . 3 1 1 A 29 29 ALA HA H 29 4.857 5.498 -0.641 1
1 290 . 3 1 1 A 29 29 ALA CA C 29 50.661 50.117 0.544 1
1 291 . 3 1 1 A 29 29 ALA CB C 29 21.140 21.615 -0.475 1
1 292 . 3 1 1 A 29 29 ALA N N 29 125.760 125.809 -0.049 1
1 293 . 3 1 1 A 30 30 PHE H H 30 9.083 9.103 -0.020 1
1 294 . 3 1 1 A 30 30 PHE HA H 30 3.397 3.995 -0.598 1
1 301 . 3 1 1 A 30 30 PHE CA C 30 59.895 58.100 1.795 1
1 302 . 3 1 1 A 30 30 PHE CB C 30 38.810 39.080 -0.270 1
1 305 . 3 1 1 A 30 30 PHE N N 30 126.590 124.717 1.873 1
1 306 . 3 1 1 A 31 31 ARG H H 31 8.102 8.411 -0.309 1
1 307 . 3 1 1 A 31 31 ARG HA H 31 3.941 4.532 -0.591 1
1 314 . 3 1 1 A 31 31 ARG CA C 31 53.120 54.514 -1.394 1
1 315 . 3 1 1 A 31 31 ARG CB C 31 31.665 30.098 1.567 1
1 318 . 3 1 1 A 31 31 ARG N N 31 125.007 128.495 -3.488 1
1 320 . 3 1 1 A 32 32 GLY H H 32 5.465 7.190 -1.725 1
1 321 . 3 1 1 A 32 32 GLY HA2 H 32 3.264 3.622 -0.358 1
1 322 . 3 1 1 A 32 32 GLY HA3 H 32 4.670 3.834 0.836 1
1 323 . 3 1 1 A 32 32 GLY CA C 32 45.150 44.152 0.998 1
1 324 . 3 1 1 A 32 32 GLY N N 32 101.400 111.251 -9.851 1
1 325 . 3 1 1 A 33 33 ARG H H 33 8.345 8.365 -0.020 1
1 326 . 3 1 1 A 33 33 ARG HA H 33 5.158 5.023 0.135 1
1 332 . 3 1 1 A 33 33 ARG CA C 33 54.924 54.319 0.605 1
1 333 . 3 1 1 A 33 33 ARG CB C 33 34.180 34.394 -0.214 1
1 336 . 3 1 1 A 33 33 ARG N N 33 116.822 120.319 -3.497 1
1 338 . 3 1 1 A 34 34 GLY H H 34 8.549 8.321 0.228 1
1 339 . 3 1 1 A 34 34 GLY HA2 H 34 5.154 4.354 0.800 1
1 340 . 3 1 1 A 34 34 GLY HA3 H 34 3.752 4.406 -0.654 1
1 341 . 3 1 1 A 34 34 GLY CA C 34 45.620 45.874 -0.254 1
1 342 . 3 1 1 A 34 34 GLY N N 34 107.400 108.133 -0.733 1
1 343 . 3 1 1 A 35 35 CYS H H 35 8.803 8.765 0.038 1
1 344 . 3 1 1 A 35 35 CYS HA H 35 5.893 5.460 0.433 1
1 347 . 3 1 1 A 35 35 CYS CA C 35 55.420 57.929 -2.509 1
1 348 . 3 1 1 A 35 35 CYS CB C 35 30.960 32.041 -1.081 1
1 349 . 3 1 1 A 35 35 CYS N N 35 117.781 119.270 -1.489 1
1 350 . 3 1 1 A 36 36 THR H H 36 9.033 8.863 0.170 1
1 351 . 3 1 1 A 36 36 THR HA H 36 3.835 4.320 -0.485 1
1 356 . 3 1 1 A 36 36 THR CA C 36 64.160 61.876 2.284 1
1 357 . 3 1 1 A 36 36 THR CB C 36 68.200 69.364 -1.164 1
1 359 . 3 1 1 A 36 36 THR N N 36 117.973 114.428 3.545 1
1 360 . 3 1 1 A 37 37 VAL H H 37 7.545 8.616 -1.071 1
1 361 . 3 1 1 A 37 37 VAL HA H 37 3.709 4.010 -0.301 1
1 369 . 3 1 1 A 37 37 VAL CA C 37 65.740 65.552 0.188 1
1 370 . 3 1 1 A 37 37 VAL CB C 37 32.410 32.394 0.016 1
1 373 . 3 1 1 A 37 37 VAL N N 37 121.706 124.590 -2.884 1
1 374 . 3 1 1 A 38 38 GLU H H 38 8.540 7.742 0.798 1
1 375 . 3 1 1 A 38 38 GLU HA H 38 4.264 4.232 0.032 1
1 380 . 3 1 1 A 38 38 GLU CA C 38 54.260 56.630 -2.370 1
1 381 . 3 1 1 A 38 38 GLU CB C 38 30.770 29.762 1.008 1
1 383 . 3 1 1 A 38 38 GLU N N 38 119.219 120.579 -1.360 1
1 384 . 3 1 1 A 39 39 SER H H 39 8.692 8.352 0.340 1
1 385 . 3 1 1 A 39 39 SER HA H 39 4.035 4.494 -0.459 1
1 388 . 3 1 1 A 39 39 SER CA C 39 57.370 59.475 -2.105 1
1 389 . 3 1 1 A 39 39 SER CB C 39 63.760 63.958 -0.198 1
1 390 . 3 1 1 A 39 39 SER N N 39 118.941 118.528 0.413 1
1 391 . 3 1 1 A 40 40 PHE H H 40 8.302 8.881 -0.579 1
1 392 . 3 1 1 A 40 40 PHE HA H 40 4.986 4.805 0.181 1
1 400 . 3 1 1 A 40 40 PHE CA C 40 57.320 55.614 1.706 1
1 401 . 3 1 1 A 40 40 PHE CB C 40 44.292 42.618 1.674 1
1 405 . 3 1 1 A 40 40 PHE N N 40 119.300 121.401 -2.101 1
1 406 . 3 1 1 A 41 41 PRO HA H 41 3.828 4.077 -0.249 1
1 413 . 3 1 1 A 41 41 PRO CA C 41 62.270 62.135 0.135 1
1 414 . 3 1 1 A 41 41 PRO CB C 41 30.790 30.145 0.645 1
1 417 . 3 1 1 A 42 42 LEU H H 42 7.964 8.541 -0.577 1
1 418 . 3 1 1 A 42 42 LEU HA H 42 5.352 5.132 0.220 1
1 427 . 3 1 1 A 42 42 LEU CA C 42 53.830 54.057 -0.227 1
1 428 . 3 1 1 A 42 42 LEU CB C 42 42.380 43.917 -1.537 1
1 431 . 3 1 1 A 42 42 LEU N N 42 129.948 124.367 5.581 1
1 432 . 3 1 1 A 43 43 VAL H H 43 8.607 9.187 -0.580 1
1 433 . 3 1 1 A 43 43 VAL HA H 43 5.296 5.185 0.111 1
1 441 . 3 1 1 A 43 43 VAL CA C 43 58.040 59.245 -1.205 1
1 442 . 3 1 1 A 43 43 VAL CB C 43 35.220 35.310 -0.090 1
1 445 . 3 1 1 A 43 43 VAL N N 43 117.190 121.835 -4.645 1
1 446 . 3 1 1 A 44 44 ILE H H 44 9.056 8.479 0.577 1
1 447 . 3 1 1 A 44 44 ILE HA H 44 4.426 4.736 -0.310 1
1 457 . 3 1 1 A 44 44 ILE CA C 44 61.156 60.194 0.962 1
1 458 . 3 1 1 A 44 44 ILE CB C 44 38.544 38.516 0.028 1
1 462 . 3 1 1 A 44 44 ILE N N 44 122.963 124.419 -1.456 1
1 463 . 3 1 1 A 45 45 ALA H H 45 8.701 8.150 0.551 1
1 464 . 3 1 1 A 45 45 ALA HA H 45 4.626 4.632 -0.006 1
1 468 . 3 1 1 A 45 45 ALA CA C 45 51.430 50.929 0.501 1
1 469 . 3 1 1 A 45 45 ALA CB C 45 21.670 21.517 0.153 1
1 470 . 3 1 1 A 45 45 ALA N N 45 126.347 127.770 -1.423 1
1 471 . 3 1 1 A 46 46 GLY H H 46 8.486 8.614 -0.128 1
1 472 . 3 1 1 A 46 46 GLY HA2 H 46 4.587 4.221 0.366 1
1 473 . 3 1 1 A 46 46 GLY HA3 H 46 4.084 4.250 -0.166 1
1 474 . 3 1 1 A 46 46 GLY CA C 46 44.500 44.864 -0.364 1
1 475 . 3 1 1 A 46 46 GLY N N 46 108.262 106.769 1.493 1
1 476 . 3 1 1 A 47 47 GLU H H 47 8.938 9.052 -0.114 1
1 477 . 3 1 1 A 47 47 GLU HA H 47 4.003 4.417 -0.414 1
1 480 . 3 1 1 A 47 47 GLU CA C 47 58.820 57.333 1.487 1
1 481 . 3 1 1 A 47 47 GLU CB C 47 29.500 30.606 -1.106 1
1 482 . 3 1 1 A 47 47 GLU N N 47 118.010 121.157 -3.147 1
1 483 . 3 1 1 A 48 48 HIS H H 48 8.742 7.872 0.870 1
1 484 . 3 1 1 A 48 48 HIS HA H 48 4.704 4.684 0.020 1
1 488 . 3 1 1 A 48 48 HIS CA C 48 55.130 55.579 -0.449 1
1 489 . 3 1 1 A 48 48 HIS CB C 48 29.110 30.210 -1.100 1
1 491 . 3 1 1 A 48 48 HIS N N 48 115.306 114.879 0.427 1
1 492 . 3 1 1 A 49 49 ASN H H 49 7.810 7.738 0.072 1
1 493 . 3 1 1 A 49 49 ASN HA H 49 3.878 4.180 -0.302 1
1 498 . 3 1 1 A 49 49 ASN CA C 49 53.876 54.340 -0.464 1
1 499 . 3 1 1 A 49 49 ASN CB C 49 36.030 36.834 -0.804 1
1 500 . 3 1 1 A 49 49 ASN N N 49 114.919 114.193 0.726 1
1 502 . 3 1 1 A 50 50 ILE H H 50 7.046 7.773 -0.727 1
1 503 . 3 1 1 A 50 50 ILE HA H 50 4.022 4.439 -0.417 1
1 513 . 3 1 1 A 50 50 ILE CA C 50 59.430 58.049 1.381 1
1 514 . 3 1 1 A 50 50 ILE CB C 50 41.326 38.366 2.960 1
1 518 . 3 1 1 A 50 50 ILE N N 50 120.995 120.175 0.820 1
1 519 . 3 1 1 A 51 51 PRO HA H 51 5.194 4.665 0.529 1
1 521 . 3 1 1 A 51 51 PRO CA C 51 60.560 62.742 -2.182 1
1 522 . 3 1 1 A 51 51 PRO CB C 51 31.841 32.222 -0.381 1
1 523 . 3 1 1 A 52 52 TRP H H 52 9.564 8.296 1.268 1
1 524 . 3 1 1 A 52 52 TRP HA H 52 4.805 5.402 -0.597 1
1 532 . 3 1 1 A 52 52 TRP CA C 52 56.550 56.482 0.068 1
1 533 . 3 1 1 A 52 52 TRP CB C 52 32.300 32.306 -0.006 1
1 539 . 3 1 1 A 52 52 TRP N N 52 123.070 122.250 0.820 1
1 541 . 3 1 1 A 53 53 LEU H H 53 7.227 9.146 -1.919 1
1 542 . 3 1 1 A 53 53 LEU HA H 53 4.863 4.923 -0.060 1
1 552 . 3 1 1 A 53 53 LEU CA C 53 53.790 54.273 -0.483 1
1 553 . 3 1 1 A 53 53 LEU CB C 53 42.250 44.387 -2.137 1
1 557 . 3 1 1 A 53 53 LEU N N 53 124.700 121.724 2.976 1
1 558 . 3 1 1 A 54 54 LEU H H 54 9.021 8.757 0.264 1
1 559 . 3 1 1 A 54 54 LEU HA H 54 4.618 4.507 0.111 1
1 569 . 3 1 1 A 54 54 LEU CA C 54 54.030 55.646 -1.616 1
1 570 . 3 1 1 A 54 54 LEU CB C 54 40.360 41.514 -1.154 1
1 574 . 3 1 1 A 54 54 LEU N N 54 126.893 128.339 -1.446 1
1 575 . 3 1 1 A 55 55 TYR H H 55 8.884 9.148 -0.264 1
1 576 . 3 1 1 A 55 55 TYR HA H 55 4.562 4.882 -0.320 1
1 583 . 3 1 1 A 55 55 TYR CA C 55 58.420 57.211 1.209 1
1 584 . 3 1 1 A 55 55 TYR CB C 55 36.180 38.277 -2.097 1
1 587 . 3 1 1 A 55 55 TYR N N 55 123.430 125.993 -2.563 1
1 588 . 3 1 1 A 56 56 LEU H H 56 8.192 8.461 -0.269 1
1 589 . 3 1 1 A 56 56 LEU HA H 56 4.530 4.627 -0.097 1
1 598 . 3 1 1 A 56 56 LEU CA C 56 51.720 51.671 0.049 1
1 599 . 3 1 1 A 56 56 LEU CB C 56 43.260 42.967 0.293 1
1 602 . 3 1 1 A 56 56 LEU N N 56 130.832 129.425 1.407 1
1 603 . 3 1 1 A 57 57 PRO HA H 57 3.779 3.031 0.748 1
1 610 . 3 1 1 A 57 57 PRO CA C 57 62.240 63.362 -1.122 1
1 611 . 3 1 1 A 57 57 PRO CB C 57 31.130 31.030 0.100 1
1 614 . 3 1 1 A 58 58 GLY H H 58 8.908 8.621 0.287 1
1 615 . 3 1 1 A 58 58 GLY HA2 H 58 4.027 3.675 0.352 1
1 616 . 3 1 1 A 58 58 GLY HA3 H 58 3.433 3.683 -0.250 1
1 617 . 3 1 1 A 58 58 GLY CA C 58 44.860 45.059 -0.199 1
1 618 . 3 1 1 A 58 58 GLY N N 58 112.351 112.340 0.011 1
1 619 . 3 1 1 A 59 59 LYS H H 59 7.214 7.363 -0.149 1
1 620 . 3 1 1 A 59 59 LYS HA H 59 4.386 4.512 -0.126 1
1 629 . 3 1 1 A 59 59 LYS CA C 59 53.760 54.939 -1.179 1
1 630 . 3 1 1 A 59 59 LYS CB C 59 34.590 35.102 -0.512 1
1 634 . 3 1 1 A 59 59 LYS N N 59 121.458 120.095 1.363 1
1 635 . 3 1 1 A 60 60 GLY H H 60 8.312 8.214 0.098 1
1 636 . 3 1 1 A 60 60 GLY HA2 H 60 3.379 2.996 0.383 1
1 637 . 3 1 1 A 60 60 GLY HA3 H 60 3.229 3.283 -0.054 1
1 638 . 3 1 1 A 60 60 GLY CA C 60 45.350 44.951 0.399 1
1 639 . 3 1 1 A 60 60 GLY N N 60 103.990 108.564 -4.574 1
1 640 . 3 1 1 A 61 61 HIS H H 61 7.880 8.173 -0.293 1
1 641 . 3 1 1 A 61 61 HIS HA H 61 4.868 5.140 -0.272 1
1 645 . 3 1 1 A 61 61 HIS CA C 61 53.920 54.813 -0.893 1
1 646 . 3 1 1 A 61 61 HIS CB C 61 33.020 33.971 -0.951 1
1 648 . 3 1 1 A 61 61 HIS N N 61 121.221 119.820 1.401 1
1 649 . 3 1 1 A 62 62 CYS H H 62 8.760 8.644 0.116 1
1 650 . 3 1 1 A 62 62 CYS HA H 62 4.248 4.430 -0.182 1
1 653 . 3 1 1 A 62 62 CYS CA C 62 61.730 59.318 2.412 1
1 654 . 3 1 1 A 62 62 CYS CB C 62 26.560 28.295 -1.735 1
1 655 . 3 1 1 A 62 62 CYS N N 62 121.842 120.343 1.499 1
1 656 . 3 1 1 A 63 63 VAL H H 63 8.109 8.739 -0.630 1
1 657 . 3 1 1 A 63 63 VAL HA H 63 4.869 4.950 -0.081 1
1 665 . 3 1 1 A 63 63 VAL CA C 63 62.210 61.380 0.830 1
1 666 . 3 1 1 A 63 63 VAL CB C 63 34.780 34.697 0.083 1
1 669 . 3 1 1 A 63 63 VAL N N 63 127.029 122.600 4.429 1
1 670 . 3 1 1 A 64 64 THR H H 64 8.453 8.624 -0.171 1
1 671 . 3 1 1 A 64 64 THR HA H 64 5.349 4.960 0.389 1
1 676 . 3 1 1 A 64 64 THR CA C 64 61.100 61.255 -0.155 1
1 677 . 3 1 1 A 64 64 THR CB C 64 70.790 70.596 0.194 1
1 679 . 3 1 1 A 64 64 THR N N 64 116.830 119.413 -2.583 1
1 680 . 3 1 1 A 65 65 GLY H H 65 8.663 8.399 0.264 1
1 681 . 3 1 1 A 65 65 GLY HA2 H 65 4.085 4.046 0.039 1
1 682 . 3 1 1 A 65 65 GLY HA3 H 65 3.480 4.240 -0.760 1
1 683 . 3 1 1 A 65 65 GLY CA C 65 46.570 46.222 0.348 1
1 684 . 3 1 1 A 65 65 GLY N N 65 107.680 109.083 -1.403 1
1 685 . 3 1 1 A 66 66 GLU H H 66 8.574 8.302 0.272 1
1 686 . 3 1 1 A 66 66 GLU HA H 66 5.150 5.384 -0.234 1
1 689 . 3 1 1 A 66 66 GLU CA C 66 54.450 54.473 -0.023 1
1 690 . 3 1 1 A 66 66 GLU CB C 66 37.328 34.366 2.962 1
1 691 . 3 1 1 A 66 66 GLU N N 66 120.921 119.373 1.548 1
1 692 . 3 1 1 A 67 67 ILE H H 67 8.623 7.899 0.724 1
1 693 . 3 1 1 A 67 67 ILE HA H 67 5.149 4.986 0.163 1
1 703 . 3 1 1 A 67 67 ILE CA C 67 60.180 60.034 0.146 1
1 704 . 3 1 1 A 67 67 ILE CB C 67 40.210 39.832 0.378 1
1 708 . 3 1 1 A 67 67 ILE N N 67 121.340 121.125 0.215 1
1 709 . 3 1 1 A 68 68 TYR H H 68 9.196 8.897 0.299 1
1 710 . 3 1 1 A 68 68 TYR HA H 68 5.001 5.228 -0.227 1
1 717 . 3 1 1 A 68 68 TYR CA C 68 56.270 56.422 -0.152 1
1 718 . 3 1 1 A 68 68 TYR CB C 68 41.480 41.576 -0.096 1
1 721 . 3 1 1 A 68 68 TYR N N 68 123.650 125.580 -1.930 1
1 722 . 3 1 1 A 69 69 GLU H H 69 9.302 9.018 0.284 1
1 723 . 3 1 1 A 69 69 GLU HA H 69 5.066 4.619 0.447 1
1 728 . 3 1 1 A 69 69 GLU CA C 69 55.180 57.127 -1.947 1
1 729 . 3 1 1 A 69 69 GLU CB C 69 31.420 29.992 1.428 1
1 731 . 3 1 1 A 69 69 GLU N N 69 124.090 124.861 -0.771 1
1 732 . 3 1 1 A 70 70 VAL H H 70 8.908 8.920 -0.012 1
1 733 . 3 1 1 A 70 70 VAL HA H 70 5.556 5.172 0.384 1
1 741 . 3 1 1 A 70 70 VAL CA C 70 57.780 59.560 -1.780 1
1 742 . 3 1 1 A 70 70 VAL CB C 70 35.400 34.829 0.571 1
1 745 . 3 1 1 A 70 70 VAL N N 70 119.540 121.274 -1.734 1
1 746 . 3 1 1 A 71 71 ASP H H 71 7.939 8.653 -0.714 1
1 747 . 3 1 1 A 71 71 ASP HA H 71 4.909 5.003 -0.094 1
1 750 . 3 1 1 A 71 71 ASP CA C 71 51.240 52.820 -1.580 1
1 751 . 3 1 1 A 71 71 ASP CB C 71 42.210 43.285 -1.075 1
1 752 . 3 1 1 A 71 71 ASP N N 71 120.720 121.288 -0.568 1
1 753 . 3 1 1 A 72 72 GLU H H 72 8.364 8.930 -0.566 1
1 754 . 3 1 1 A 72 72 GLU HA H 72 3.869 4.022 -0.153 1
1 757 . 3 1 1 A 72 72 GLU CA C 72 59.775 59.776 -0.001 1
1 758 . 3 1 1 A 72 72 GLU CB C 72 29.140 29.259 -0.119 1
1 760 . 3 1 1 A 72 72 GLU N N 72 117.910 121.503 -3.593 1
1 761 . 3 1 1 A 73 73 GLN H H 73 7.960 7.879 0.081 1
1 762 . 3 1 1 A 73 73 GLN HA H 73 3.899 4.105 -0.206 1
1 767 . 3 1 1 A 73 73 GLN CA C 73 59.570 58.741 0.829 1
1 768 . 3 1 1 A 73 73 GLN CB C 73 27.810 28.254 -0.444 1
1 770 . 3 1 1 A 73 73 GLN N N 73 119.617 119.918 -0.301 1
1 772 . 3 1 1 A 74 74 MET H H 74 8.489 7.891 0.598 1
1 773 . 3 1 1 A 74 74 MET HA H 74 4.766 4.328 0.438 1
1 780 . 3 1 1 A 74 74 MET CA C 74 56.790 58.492 -1.702 1
1 781 . 3 1 1 A 74 74 MET CB C 74 31.900 32.480 -0.580 1
1 784 . 3 1 1 A 74 74 MET N N 74 121.800 119.285 2.515 1
1 785 . 3 1 1 A 75 75 LEU H H 75 8.162 8.275 -0.113 1
1 786 . 3 1 1 A 75 75 LEU HA H 75 3.897 4.121 -0.224 1
1 796 . 3 1 1 A 75 75 LEU CA C 75 58.230 57.981 0.249 1
1 797 . 3 1 1 A 75 75 LEU CB C 75 42.160 41.840 0.320 1
1 801 . 3 1 1 A 75 75 LEU N N 75 120.230 121.577 -1.347 1
1 802 . 3 1 1 A 76 76 ARG H H 76 7.824 8.581 -0.757 1
1 803 . 3 1 1 A 76 76 ARG HA H 76 3.952 3.976 -0.024 1
1 811 . 3 1 1 A 76 76 ARG CA C 76 59.270 59.648 -0.378 1
1 812 . 3 1 1 A 76 76 ARG CB C 76 29.930 29.835 0.095 1
1 815 . 3 1 1 A 76 76 ARG N N 76 116.540 119.444 -2.904 1
1 817 . 3 1 1 A 77 77 PHE H H 77 8.137 8.267 -0.130 1
1 818 . 3 1 1 A 77 77 PHE HA H 77 4.085 4.168 -0.083 1
1 825 . 3 1 1 A 77 77 PHE CA C 77 61.980 61.248 0.732 1
1 826 . 3 1 1 A 77 77 PHE CB C 77 38.530 39.112 -0.582 1
1 829 . 3 1 1 A 77 77 PHE N N 77 120.650 121.353 -0.703 1
1 830 . 3 1 1 A 78 78 LEU H H 78 9.071 8.903 0.168 1
1 831 . 3 1 1 A 78 78 LEU HA H 78 3.629 3.730 -0.101 1
1 841 . 3 1 1 A 78 78 LEU CA C 78 57.730 57.547 0.183 1
1 842 . 3 1 1 A 78 78 LEU CB C 78 41.420 40.934 0.486 1
1 846 . 3 1 1 A 78 78 LEU N N 78 122.360 119.515 2.845 1
1 847 . 3 1 1 A 79 79 ASP H H 79 8.506 8.199 0.307 1
1 848 . 3 1 1 A 79 79 ASP HA H 79 4.320 4.624 -0.304 1
1 851 . 3 1 1 A 79 79 ASP CA C 79 57.190 56.162 1.028 1
1 852 . 3 1 1 A 79 79 ASP CB C 79 39.420 40.585 -1.165 1
1 853 . 3 1 1 A 79 79 ASP N N 79 120.070 119.379 0.691 1
1 854 . 3 1 1 A 80 80 ASP H H 80 7.154 7.731 -0.577 1
1 855 . 3 1 1 A 80 80 ASP HA H 80 4.501 4.762 -0.261 1
1 858 . 3 1 1 A 80 80 ASP CA C 80 56.700 55.564 1.136 1
1 859 . 3 1 1 A 80 80 ASP CB C 80 40.660 41.949 -1.289 1
1 860 . 3 1 1 A 80 80 ASP N N 80 118.890 119.162 -0.272 1
1 861 . 3 1 1 A 81 81 PHE H H 81 8.791 8.131 0.660 1
1 862 . 3 1 1 A 81 81 PHE HA H 81 3.659 3.801 -0.142 1
1 867 . 3 1 1 A 81 81 PHE CA C 81 61.640 60.789 0.851 1
1 868 . 3 1 1 A 81 81 PHE CB C 81 40.210 38.862 1.348 1
1 870 . 3 1 1 A 81 81 PHE N N 81 125.745 120.145 5.600 1
1 871 . 3 1 1 A 82 82 GLU H H 82 8.209 7.963 0.246 1
1 872 . 3 1 1 A 82 82 GLU HA H 82 3.956 4.092 -0.136 1
1 875 . 3 1 1 A 82 82 GLU CA C 82 55.060 55.930 -0.870 1
1 876 . 3 1 1 A 82 82 GLU CB C 82 28.910 29.061 -0.151 1
1 878 . 3 1 1 A 82 82 GLU N N 82 115.707 116.972 -1.265 1
1 879 . 3 1 1 A 83 83 ASP H H 83 7.615 7.799 -0.184 1
1 880 . 3 1 1 A 83 83 ASP HA H 83 4.236 4.180 0.056 1
1 883 . 3 1 1 A 83 83 ASP CA C 83 54.370 55.592 -1.222 1
1 884 . 3 1 1 A 83 83 ASP CB C 83 39.400 39.978 -0.578 1
1 885 . 3 1 1 A 83 83 ASP N N 83 116.517 117.803 -1.286 1
1 886 . 3 1 1 A 84 84 CYS H H 84 8.361 7.784 0.577 1
1 887 . 3 1 1 A 84 84 CYS HA H 84 5.522 4.846 0.676 1
1 890 . 3 1 1 A 84 84 CYS CA C 84 56.617 57.892 -1.275 1
1 891 . 3 1 1 A 84 84 CYS CB C 84 27.651 27.352 0.299 1
1 892 . 3 1 1 A 84 84 CYS N N 84 119.420 117.538 1.882 1
1 893 . 3 1 1 A 85 85 PRO HA H 85 5.704 4.745 0.959 1
1 900 . 3 1 1 A 85 85 PRO CA C 85 64.355 64.175 0.180 1
1 901 . 3 1 1 A 85 85 PRO CB C 85 33.190 31.980 1.210 1
1 904 . 3 1 1 A 86 86 SER H H 86 8.389 7.959 0.430 1
1 905 . 3 1 1 A 86 86 SER HA H 86 4.175 4.192 -0.017 1
1 907 . 3 1 1 A 86 86 SER CA C 86 62.130 61.722 0.408 1
1 908 . 3 1 1 A 86 86 SER CB C 86 63.080 62.939 0.141 1
1 909 . 3 1 1 A 86 86 SER N N 86 122.195 114.504 7.691 1
1 910 . 3 1 1 A 87 87 MET H H 87 8.576 8.307 0.269 1
1 911 . 3 1 1 A 87 87 MET HA H 87 4.475 4.421 0.054 1
1 918 . 3 1 1 A 87 87 MET CA C 87 57.520 58.172 -0.652 1
1 919 . 3 1 1 A 87 87 MET CB C 87 33.210 33.194 0.016 1
1 922 . 3 1 1 A 87 87 MET N N 87 121.299 119.344 1.955 1
1 923 . 3 1 1 A 88 88 TYR H H 88 6.778 7.990 -1.212 1
1 924 . 3 1 1 A 88 88 TYR HA H 88 5.023 4.936 0.087 1
1 931 . 3 1 1 A 88 88 TYR CA C 88 56.300 58.131 -1.831 1
1 932 . 3 1 1 A 88 88 TYR CB C 88 42.530 39.789 2.741 1
1 935 . 3 1 1 A 88 88 TYR N N 88 113.420 116.291 -2.871 1
1 936 . 3 1 1 A 89 89 GLN H H 89 9.567 9.138 0.429 1
1 937 . 3 1 1 A 89 89 GLN HA H 89 4.857 4.727 0.130 1
1 944 . 3 1 1 A 89 89 GLN CA C 89 55.870 55.377 0.493 1
1 945 . 3 1 1 A 89 89 GLN CB C 89 30.430 30.744 -0.314 1
1 947 . 3 1 1 A 89 89 GLN N N 89 115.440 119.653 -4.213 1
1 949 . 3 1 1 A 90 90 ARG H H 90 8.772 7.707 1.065 1
1 950 . 3 1 1 A 90 90 ARG HA H 90 4.499 3.986 0.513 1
1 958 . 3 1 1 A 90 90 ARG CA C 90 56.620 56.793 -0.173 1
1 959 . 3 1 1 A 90 90 ARG CB C 90 29.020 28.926 0.094 1
1 962 . 3 1 1 A 90 90 ARG N N 90 123.860 119.696 4.164 1
1 964 . 3 1 1 A 91 91 THR H H 91 9.217 9.045 0.172 1
1 965 . 3 1 1 A 91 91 THR HA H 91 4.518 4.835 -0.317 1
1 970 . 3 1 1 A 91 91 THR CA C 91 60.570 60.974 -0.404 1
1 971 . 3 1 1 A 91 91 THR CB C 91 71.050 72.472 -1.422 1
1 973 . 3 1 1 A 91 91 THR N N 91 125.064 119.864 5.200 1
1 974 . 3 1 1 A 92 92 ALA H H 92 8.655 8.418 0.237 1
1 975 . 3 1 1 A 92 92 ALA HA H 92 5.041 5.180 -0.139 1
1 979 . 3 1 1 A 92 92 ALA CA C 92 51.320 50.661 0.659 1
1 980 . 3 1 1 A 92 92 ALA CB C 92 19.480 20.258 -0.778 1
1 981 . 3 1 1 A 92 92 ALA N N 92 126.963 126.549 0.414 1
1 982 . 3 1 1 A 93 93 LEU H H 93 9.005 8.952 0.053 1
1 983 . 3 1 1 A 93 93 LEU HA H 93 4.720 5.475 -0.755 1
1 993 . 3 1 1 A 93 93 LEU CA C 93 53.750 52.721 1.029 1
1 994 . 3 1 1 A 93 93 LEU CB C 93 45.340 46.169 -0.829 1
1 998 . 3 1 1 A 93 93 LEU N N 93 122.440 119.231 3.209 1
1 999 . 3 1 1 A 94 94 GLN H H 94 8.360 8.815 -0.455 1
1 1000 . 3 1 1 A 94 94 GLN HA H 94 4.229 4.977 -0.748 1
1 1005 . 3 1 1 A 94 94 GLN CA C 94 56.040 54.223 1.817 1
1 1006 . 3 1 1 A 94 94 GLN CB C 94 28.780 32.149 -3.369 1
1 1008 . 3 1 1 A 94 94 GLN N N 94 119.357 119.425 -0.068 1
1 1010 . 3 1 1 A 95 95 VAL H H 95 8.612 9.145 -0.533 1
1 1011 . 3 1 1 A 95 95 VAL HA H 95 4.013 4.609 -0.596 1
1 1019 . 3 1 1 A 95 95 VAL CA C 95 61.440 60.095 1.345 1
1 1020 . 3 1 1 A 95 95 VAL CB C 95 35.110 35.196 -0.086 1
1 1023 . 3 1 1 A 95 95 VAL N N 95 126.928 125.616 1.312 1
1 1024 . 3 1 1 A 96 96 GLN H H 96 9.222 8.734 0.488 1
1 1025 . 3 1 1 A 96 96 GLN HA H 96 4.279 4.541 -0.262 1
1 1032 . 3 1 1 A 96 96 GLN CA C 96 55.150 54.855 0.295 1
1 1033 . 3 1 1 A 96 96 GLN CB C 96 29.100 30.084 -0.984 1
1 1035 . 3 1 1 A 96 96 GLN N N 96 128.360 124.638 3.722 1
1 1037 . 3 1 1 A 97 97 VAL H H 97 8.233 9.137 -0.904 1
1 1038 . 3 1 1 A 97 97 VAL HA H 97 3.674 4.104 -0.430 1
1 1046 . 3 1 1 A 97 97 VAL CA C 97 64.040 62.973 1.067 1
1 1047 . 3 1 1 A 97 97 VAL CB C 97 31.920 31.808 0.112 1
1 1050 . 3 1 1 A 97 97 VAL N N 97 128.120 126.477 1.643 1
1 1051 . 3 1 1 A 98 98 LEU H H 98 8.880 9.540 -0.660 1
1 1052 . 3 1 1 A 98 98 LEU HA H 98 4.472 4.471 0.001 1
1 1059 . 3 1 1 A 98 98 LEU CA C 98 55.641 55.811 -0.170 1
1 1060 . 3 1 1 A 98 98 LEU CB C 98 42.510 42.898 -0.388 1
1 1063 . 3 1 1 A 98 98 LEU N N 98 128.877 128.462 0.415 1
1 1064 . 3 1 1 A 99 99 GLU H H 99 7.682 7.331 0.351 1
1 1065 . 3 1 1 A 99 99 GLU HA H 99 4.403 4.903 -0.500 1
1 1070 . 3 1 1 A 99 99 GLU CA C 99 56.310 55.163 1.147 1
1 1071 . 3 1 1 A 99 99 GLU CB C 99 32.790 34.033 -1.243 1
1 1073 . 3 1 1 A 99 99 GLU N N 99 118.210 117.396 0.814 1
1 1074 . 3 1 1 A 100 100 TRP H H 100 8.883 8.770 0.113 1
1 1075 . 3 1 1 A 100 100 TRP HA H 100 5.205 5.246 -0.041 1
1 1084 . 3 1 1 A 100 100 TRP CA C 100 55.982 56.605 -0.623 1
1 1085 . 3 1 1 A 100 100 TRP CB C 100 32.430 33.216 -0.786 1
1 1091 . 3 1 1 A 100 100 TRP N N 100 126.421 124.886 1.535 1
1 1093 . 3 1 1 A 101 101 GLU H H 101 8.116 8.334 -0.218 1
1 1094 . 3 1 1 A 101 101 GLU HA H 101 4.462 4.854 -0.392 1
1 1098 . 3 1 1 A 101 101 GLU CA C 101 55.050 55.046 0.004 1
1 1099 . 3 1 1 A 101 101 GLU CB C 101 30.950 32.065 -1.115 1
1 1101 . 3 1 1 A 101 101 GLU N N 101 128.535 126.255 2.280 1
1 1102 . 3 1 1 A 102 102 GLY H H 102 7.614 8.185 -0.571 1
1 1103 . 3 1 1 A 102 102 GLY HA2 H 102 3.853 3.813 0.040 1
1 1104 . 3 1 1 A 102 102 GLY HA3 H 102 3.905 4.020 -0.115 1
1 1105 . 3 1 1 A 102 102 GLY CA C 102 44.440 45.795 -1.355 1
1 1106 . 3 1 1 A 102 102 GLY N N 102 108.953 110.194 -1.241 1
1 1107 . 3 1 1 A 103 103 ASP H H 103 8.261 8.297 -0.036 1
1 1108 . 3 1 1 A 103 103 ASP HA H 103 4.641 4.780 -0.139 1
1 1111 . 3 1 1 A 103 103 ASP CA C 103 54.530 54.348 0.182 1
1 1112 . 3 1 1 A 103 103 ASP CB C 103 41.690 42.529 -0.839 1
1 1113 . 3 1 1 A 103 103 ASP N N 103 118.730 124.464 -5.734 1
1 1114 . 3 1 1 A 104 104 GLY H H 104 8.526 8.405 0.121 1
1 1115 . 3 1 1 A 104 104 GLY HA2 H 104 3.719 4.216 -0.497 1
1 1116 . 3 1 1 A 104 104 GLY HA3 H 104 3.892 4.218 -0.326 1
1 1117 . 3 1 1 A 104 104 GLY CA C 104 45.960 46.716 -0.756 1
1 1118 . 3 1 1 A 104 104 GLY N N 104 109.230 110.492 -1.262 1
1 1119 . 3 1 1 A 105 105 ASP H H 105 7.806 8.049 -0.243 1
1 1120 . 3 1 1 A 105 105 ASP HA H 105 3.381 4.594 -1.213 1
1 1123 . 3 1 1 A 105 105 ASP CA C 105 51.020 51.726 -0.706 1
1 1124 . 3 1 1 A 105 105 ASP CB C 105 41.406 41.348 0.058 1
1 1125 . 3 1 1 A 105 105 ASP N N 105 119.739 117.620 2.119 1
1 1126 . 3 1 1 A 106 106 PRO HA H 106 4.065 4.206 -0.141 1
1 1133 . 3 1 1 A 106 106 PRO CA C 106 62.970 63.816 -0.846 1
1 1134 . 3 1 1 A 106 106 PRO CB C 106 31.660 31.626 0.034 1
1 1137 . 3 1 1 A 107 107 GLY H H 107 7.863 7.613 0.250 1
1 1138 . 3 1 1 A 107 107 GLY HA2 H 107 3.401 3.926 -0.525 1
1 1139 . 3 1 1 A 107 107 GLY HA3 H 107 4.103 3.927 0.176 1
1 1140 . 3 1 1 A 107 107 GLY CA C 107 44.170 43.745 0.425 1
1 1141 . 3 1 1 A 107 107 GLY N N 107 109.610 107.148 2.462 1
1 1142 . 3 1 1 A 108 108 ASP H H 108 8.171 8.656 -0.485 1
1 1143 . 3 1 1 A 108 108 ASP HA H 108 4.283 4.483 -0.200 1
1 1145 . 3 1 1 A 108 108 ASP CA C 108 56.430 55.444 0.986 1
1 1146 . 3 1 1 A 108 108 ASP CB C 108 41.490 41.135 0.355 1
1 1147 . 3 1 1 A 108 108 ASP N N 108 119.264 121.950 -2.686 1
1 1148 . 3 1 1 A 109 109 SER H H 109 7.560 7.943 -0.383 1
1 1149 . 3 1 1 A 109 109 SER HA H 109 5.188 5.166 0.022 1
1 1152 . 3 1 1 A 109 109 SER CA C 109 56.740 56.542 0.198 1
1 1153 . 3 1 1 A 109 109 SER CB C 109 65.780 66.781 -1.001 1
1 1154 . 3 1 1 A 109 109 SER N N 109 110.810 111.699 -0.889 1
1 1155 . 3 1 1 A 110 110 VAL H H 110 8.932 8.924 0.008 1
1 1156 . 3 1 1 A 110 110 VAL HA H 110 4.262 4.583 -0.321 1
1 1164 . 3 1 1 A 110 110 VAL CA C 110 59.470 59.832 -0.362 1
1 1165 . 3 1 1 A 110 110 VAL CB C 110 35.400 35.313 0.087 1
1 1168 . 3 1 1 A 110 110 VAL N N 110 118.530 119.718 -1.188 1
1 1169 . 3 1 1 A 111 111 GLN H H 111 8.468 8.664 -0.196 1
1 1170 . 3 1 1 A 111 111 GLN HA H 111 4.422 4.809 -0.387 1
1 1177 . 3 1 1 A 111 111 GLN CA C 111 55.960 55.255 0.705 1
1 1178 . 3 1 1 A 111 111 GLN CB C 111 29.470 29.694 -0.224 1
1 1180 . 3 1 1 A 111 111 GLN N N 111 127.378 127.493 -0.115 1
1 1182 . 3 1 1 A 112 112 CYS H H 112 8.785 8.671 0.114 1
1 1183 . 3 1 1 A 112 112 CYS HA H 112 4.782 4.886 -0.104 1
1 1186 . 3 1 1 A 112 112 CYS CA C 112 57.100 56.628 0.472 1
1 1187 . 3 1 1 A 112 112 CYS CB C 112 33.700 31.186 2.514 1
1 1188 . 3 1 1 A 112 112 CYS N N 112 122.300 123.281 -0.981 1
1 1189 . 3 1 1 A 113 113 PHE H H 113 8.838 8.718 0.120 1
1 1190 . 3 1 1 A 113 113 PHE HA H 113 5.154 5.268 -0.114 1
1 1197 . 3 1 1 A 113 113 PHE CA C 113 58.650 57.277 1.373 1
1 1198 . 3 1 1 A 113 113 PHE CB C 113 40.210 41.256 -1.046 1
1 1201 . 3 1 1 A 113 113 PHE N N 113 118.974 120.761 -1.787 1
1 1202 . 3 1 1 A 114 114 VAL H H 114 9.079 8.541 0.538 1
1 1203 . 3 1 1 A 114 114 VAL HA H 114 4.472 4.677 -0.205 1
1 1211 . 3 1 1 A 114 114 VAL CA C 114 60.650 60.798 -0.148 1
1 1212 . 3 1 1 A 114 114 VAL CB C 114 35.970 35.956 0.014 1
1 1215 . 3 1 1 A 114 114 VAL N N 114 121.660 120.216 1.444 1
1 1216 . 3 1 1 A 115 115 TYR H H 115 9.672 8.707 0.965 1
1 1217 . 3 1 1 A 115 115 TYR HA H 115 4.988 4.663 0.325 1
1 1224 . 3 1 1 A 115 115 TYR CA C 115 59.240 57.286 1.954 1
1 1225 . 3 1 1 A 115 115 TYR CB C 115 36.925 37.053 -0.128 1
1 1228 . 3 1 1 A 115 115 TYR N N 115 127.830 126.130 1.700 1
1 1229 . 3 1 1 A 116 116 THR H H 116 9.061 8.207 0.854 1
1 1230 . 3 1 1 A 116 116 THR HA H 116 5.435 5.479 -0.044 1
1 1235 . 3 1 1 A 116 116 THR CA C 116 60.130 59.716 0.414 1
1 1236 . 3 1 1 A 116 116 THR CB C 116 71.910 71.481 0.429 1
1 1238 . 3 1 1 A 116 116 THR N N 116 119.130 114.844 4.286 1
1 1239 . 3 1 1 A 117 117 THR H H 117 8.707 8.729 -0.022 1
1 1240 . 3 1 1 A 117 117 THR HA H 117 5.561 5.243 0.318 1
1 1245 . 3 1 1 A 117 117 THR CA C 117 60.160 60.314 -0.154 1
1 1246 . 3 1 1 A 117 117 THR CB C 117 70.170 71.579 -1.409 1
1 1248 . 3 1 1 A 117 117 THR N N 117 111.190 115.168 -3.978 1
1 1249 . 3 1 1 A 118 118 ALA H H 118 9.257 8.392 0.865 1
1 1250 . 3 1 1 A 118 118 ALA HA H 118 5.033 4.849 0.184 1
1 1254 . 3 1 1 A 118 118 ALA CA C 118 51.550 52.138 -0.588 1
1 1255 . 3 1 1 A 118 118 ALA CB C 118 20.050 20.083 -0.033 1
1 1256 . 3 1 1 A 118 118 ALA N N 118 132.010 127.959 4.051 1
1 1257 . 3 1 1 A 119 119 THR H H 119 8.628 7.291 1.337 1
1 1258 . 3 1 1 A 119 119 THR HA H 119 4.143 4.282 -0.139 1
1 1263 . 3 1 1 A 119 119 THR CA C 119 60.090 60.615 -0.525 1
1 1264 . 3 1 1 A 119 119 THR CB C 119 68.056 68.891 -0.835 1
1 1266 . 3 1 1 A 119 119 THR N N 119 114.350 105.821 8.529 1
1 1267 . 3 1 1 A 120 120 TYR H H 120 6.281 7.041 -0.760 1
1 1268 . 3 1 1 A 120 120 TYR HA H 120 3.594 3.981 -0.387 1
1 1273 . 3 1 1 A 120 120 TYR CA C 120 53.530 57.510 -3.980 1
1 1274 . 3 1 1 A 120 120 TYR CB C 120 40.072 39.788 0.284 1
1 1276 . 3 1 1 A 120 120 TYR N N 120 117.205 121.455 -4.250 1
1 1277 . 3 1 1 A 121 121 ALA HA H 121 5.030 4.233 0.797 1
1 1278 . 3 1 1 A 121 121 ALA CA C 121 51.536 50.377 1.159 1
1 1279 . 3 1 1 A 122 122 PRO HA H 122 4.059 4.328 -0.269 1
1 1285 . 3 1 1 A 122 122 PRO CA C 122 65.435 65.785 -0.350 1
1 1286 . 3 1 1 A 122 122 PRO CB C 122 31.680 31.559 0.121 1
1 1289 . 3 1 1 A 123 123 GLU H H 123 9.336 9.085 0.251 1
1 1290 . 3 1 1 A 123 123 GLU HA H 123 4.169 4.063 0.106 1
1 1294 . 3 1 1 A 123 123 GLU CA C 123 59.100 58.995 0.105 1
1 1295 . 3 1 1 A 123 123 GLU CB C 123 27.940 28.936 -0.996 1
1 1297 . 3 1 1 A 123 123 GLU N N 123 115.528 116.554 -1.026 1
1 1298 . 3 1 1 A 124 124 TRP H H 124 8.560 7.396 1.164 1
1 1299 . 3 1 1 A 124 124 TRP HA H 124 4.671 4.636 0.035 1
1 1308 . 3 1 1 A 124 124 TRP CA C 124 57.370 59.384 -2.014 1
1 1309 . 3 1 1 A 124 124 TRP CB C 124 28.310 28.573 -0.263 1
1 1315 . 3 1 1 A 124 124 TRP N N 124 123.431 119.665 3.766 1
1 1317 . 3 1 1 A 125 125 LEU H H 125 7.378 7.237 0.141 1
1 1318 . 3 1 1 A 125 125 LEU HA H 125 4.065 4.388 -0.323 1
1 1328 . 3 1 1 A 125 125 LEU CA C 125 56.060 54.833 1.227 1
1 1329 . 3 1 1 A 125 125 LEU CB C 125 41.220 42.362 -1.142 1
1 1333 . 3 1 1 A 125 125 LEU N N 125 113.660 119.586 -5.926 1
1 1334 . 3 1 1 A 126 126 PHE H H 126 7.415 7.462 -0.047 1
1 1335 . 3 1 1 A 126 126 PHE HA H 126 4.640 4.338 0.302 1
1 1342 . 3 1 1 A 126 126 PHE CA C 126 56.940 60.436 -3.496 1
1 1343 . 3 1 1 A 126 126 PHE CB C 126 38.670 39.821 -1.151 1
1 1346 . 3 1 1 A 126 126 PHE N N 126 116.360 115.751 0.609 1
1 1347 . 3 1 1 A 127 127 LEU H H 127 7.168 6.973 0.195 1
1 1348 . 3 1 1 A 127 127 LEU HA H 127 4.529 4.388 0.141 1
1 1358 . 3 1 1 A 127 127 LEU CA C 127 53.580 53.770 -0.190 1
1 1359 . 3 1 1 A 127 127 LEU CB C 127 40.832 40.988 -0.156 1
1 1363 . 3 1 1 A 127 127 LEU N N 127 122.990 120.604 2.386 1
1 1364 . 3 1 1 A 128 128 PRO HA H 128 3.986 4.406 -0.420 1
1 1371 . 3 1 1 A 128 128 PRO CA C 128 63.140 62.161 0.979 1
1 1372 . 3 1 1 A 128 128 PRO CB C 128 31.993 32.277 -0.284 1
1 1375 . 3 1 1 A 129 129 TYR H H 129 8.070 8.302 -0.232 1
1 1376 . 3 1 1 A 129 129 TYR HA H 129 5.529 5.144 0.385 1
1 1383 . 3 1 1 A 129 129 TYR CA C 129 52.486 57.241 -4.755 1
1 1384 . 3 1 1 A 129 129 TYR CB C 129 36.760 41.116 -4.356 1
1 1387 . 3 1 1 A 129 129 TYR N N 129 120.100 119.838 0.262 1
1 1388 . 3 1 1 A 130 130 HIS H H 130 9.193 8.361 0.832 1
1 1389 . 3 1 1 A 130 130 HIS HA H 130 4.733 5.266 -0.533 1
1 1393 . 3 1 1 A 130 130 HIS CA C 130 55.920 54.978 0.942 1
1 1394 . 3 1 1 A 130 130 HIS CB C 130 32.908 34.263 -1.355 1
1 1396 . 3 1 1 A 130 130 HIS N N 130 121.985 118.810 3.175 1
1 1397 . 3 1 1 A 131 131 GLU H H 131 9.093 9.367 -0.274 1
1 1398 . 3 1 1 A 131 131 GLU HA H 131 4.277 4.961 -0.684 1
1 1402 . 3 1 1 A 131 131 GLU CA C 131 58.110 56.834 1.276 1
1 1403 . 3 1 1 A 131 131 GLU CB C 131 30.700 31.621 -0.921 1
1 1405 . 3 1 1 A 131 131 GLU N N 131 122.150 122.544 -0.394 1
1 1406 . 3 1 1 A 132 132 SER H H 132 7.621 7.898 -0.277 1
1 1407 . 3 1 1 A 132 132 SER HA H 132 4.686 4.706 -0.020 1
1 1410 . 3 1 1 A 132 132 SER CA C 132 56.340 57.443 -1.103 1
1 1411 . 3 1 1 A 132 132 SER CB C 132 65.050 65.121 -0.071 1
1 1412 . 3 1 1 A 132 132 SER N N 132 108.030 112.862 -4.832 1
1 1413 . 3 1 1 A 133 133 TYR H H 133 8.667 8.834 -0.167 1
1 1414 . 3 1 1 A 133 133 TYR HA H 133 4.564 5.070 -0.506 1
1 1419 . 3 1 1 A 133 133 TYR CA C 133 57.910 56.979 0.931 1
1 1420 . 3 1 1 A 133 133 TYR CB C 133 40.720 41.351 -0.631 1
1 1422 . 3 1 1 A 133 133 TYR N N 133 121.977 126.927 -4.950 1
1 1423 . 3 1 1 A 134 134 ASP H H 134 7.303 7.745 -0.442 1
1 1424 . 3 1 1 A 134 134 ASP HA H 134 3.944 4.759 -0.815 1
1 1427 . 3 1 1 A 134 134 ASP CA C 134 52.540 53.014 -0.474 1
1 1428 . 3 1 1 A 134 134 ASP CB C 134 42.900 43.842 -0.942 1
1 1429 . 3 1 1 A 134 134 ASP N N 134 127.820 124.473 3.347 1
1 1430 . 3 1 1 A 135 135 SER H H 135 9.392 8.643 0.749 1
1 1431 . 3 1 1 A 135 135 SER HA H 135 3.945 4.622 -0.677 1
1 1434 . 3 1 1 A 135 135 SER CA C 135 61.770 58.035 3.735 1
1 1435 . 3 1 1 A 135 135 SER CB C 135 63.561 63.897 -0.336 1
1 1436 . 3 1 1 A 135 135 SER N N 135 127.670 114.977 12.693 1
1 1437 . 3 1 1 A 136 136 GLU H H 136 7.546 7.856 -0.310 1
1 1438 . 3 1 1 A 136 136 GLU HA H 136 4.233 4.603 -0.370 1
1 1443 . 3 1 1 A 136 136 GLU CA C 136 54.796 56.302 -1.506 1
1 1444 . 3 1 1 A 136 136 GLU CB C 136 28.420 31.320 -2.900 1
1 1446 . 3 1 1 A 136 136 GLU N N 136 113.107 120.231 -7.124 1
1 1447 . 3 1 1 A 137 137 GLY H H 137 7.241 8.576 -1.335 1
1 1448 . 3 1 1 A 137 137 GLY HA2 H 137 3.994 4.048 -0.054 1
1 1449 . 3 1 1 A 137 137 GLY HA3 H 137 3.503 4.071 -0.568 1
1 1450 . 3 1 1 A 137 137 GLY CA C 137 44.880 43.973 0.907 1
1 1451 . 3 1 1 A 137 137 GLY N N 137 104.690 108.503 -3.813 1
1 1452 . 3 1 1 A 138 138 PRO HA H 138 4.211 4.345 -0.134 1
1 1459 . 3 1 1 A 138 138 PRO CA C 138 64.830 63.767 1.063 1
1 1460 . 3 1 1 A 138 138 PRO CB C 138 31.180 31.583 -0.403 1
1 1463 . 3 1 1 A 139 139 HIS H H 139 6.414 7.611 -1.197 1
1 1464 . 3 1 1 A 139 139 HIS HA H 139 4.299 4.665 -0.366 1
1 1467 . 3 1 1 A 139 139 HIS CA C 139 55.080 54.873 0.207 1
1 1468 . 3 1 1 A 139 139 HIS CB C 139 30.260 28.140 2.120 1
1 1470 . 3 1 1 A 139 139 HIS N N 139 116.498 117.856 -1.358 1
1 1471 . 3 1 1 A 140 140 GLY H H 140 7.082 8.344 -1.262 1
1 1472 . 3 1 1 A 140 140 GLY HA2 H 140 3.919 3.759 0.160 1
1 1473 . 3 1 1 A 140 140 GLY HA3 H 140 3.721 3.764 -0.043 1
1 1474 . 3 1 1 A 140 140 GLY CA C 140 46.590 47.378 -0.788 1
1 1475 . 3 1 1 A 140 140 GLY N N 140 108.485 111.929 -3.444 1
1 1476 . 3 1 1 A 141 141 LEU HA H 141 4.451 4.457 -0.006 1
1 1483 . 3 1 1 A 141 141 LEU CA C 141 53.024 54.551 -1.527 1
1 1484 . 3 1 1 A 141 141 LEU CB C 141 39.500 42.261 -2.761 1
1 1487 . 3 1 1 A 142 142 ARG H H 142 7.472 8.643 -1.171 1
1 1488 . 3 1 1 A 142 142 ARG HA H 142 4.724 4.935 -0.211 1
1 1493 . 3 1 1 A 142 142 ARG CA C 142 55.940 54.131 1.809 1
1 1494 . 3 1 1 A 142 142 ARG CB C 142 31.070 33.238 -2.168 1
1 1497 . 3 1 1 A 142 142 ARG N N 142 121.987 124.432 -2.445 1
1 1499 . 3 1 1 A 143 143 TYR H H 143 8.487 8.974 -0.487 1
1 1500 . 3 1 1 A 143 143 TYR HA H 143 4.474 4.623 -0.149 1
1 1507 . 3 1 1 A 143 143 TYR CA C 143 59.015 59.805 -0.790 1
1 1508 . 3 1 1 A 143 143 TYR CB C 143 38.720 39.260 -0.540 1
1 1511 . 3 1 1 A 143 143 TYR N N 143 127.896 123.275 4.621 1
1 1512 . 3 1 1 A 144 144 ASN H H 144 7.805 8.071 -0.266 1
1 1513 . 3 1 1 A 144 144 ASN HA H 144 4.892 5.309 -0.417 1
1 1518 . 3 1 1 A 144 144 ASN CA C 144 50.120 50.345 -0.225 1
1 1519 . 3 1 1 A 144 144 ASN CB C 144 39.360 39.257 0.103 1
1 1520 . 3 1 1 A 144 144 ASN N N 144 125.629 125.936 -0.307 1
1 1522 . 3 1 1 A 145 145 PRO HA H 145 3.975 4.143 -0.168 1
1 1528 . 3 1 1 A 145 145 PRO CA C 145 63.140 64.368 -1.228 1
1 1529 . 3 1 1 A 145 145 PRO CB C 145 32.386 31.970 0.416 1
1 1532 . 3 1 1 A 146 146 ARG H H 146 8.055 7.839 0.216 1
1 1533 . 3 1 1 A 146 146 ARG HA H 146 3.918 4.610 -0.692 1
1 1541 . 3 1 1 A 146 146 ARG CA C 146 56.740 55.153 1.587 1
1 1542 . 3 1 1 A 146 146 ARG CB C 146 30.430 31.968 -1.538 1
1 1545 . 3 1 1 A 146 146 ARG N N 146 120.069 116.778 3.291 1
1 1547 . 3 1 1 A 147 147 GLU H H 147 8.440 7.985 0.455 1
1 1548 . 3 1 1 A 147 147 GLU HA H 147 4.167 4.074 0.093 1
1 1552 . 3 1 1 A 147 147 GLU CA C 147 56.710 58.955 -2.245 1
1 1553 . 3 1 1 A 147 147 GLU CB C 147 30.150 29.282 0.868 1
1 1555 . 3 1 1 A 147 147 GLU N N 147 120.760 120.563 0.197 1
1 1556 . 3 1 1 A 148 148 ASN H H 148 8.363 7.981 0.382 1
1 1557 . 3 1 1 A 148 148 ASN HA H 148 4.652 4.864 -0.212 1
1 1562 . 3 1 1 A 148 148 ASN CA C 148 53.240 52.766 0.474 1
1 1563 . 3 1 1 A 148 148 ASN CB C 148 38.840 38.793 0.047 1
1 1564 . 3 1 1 A 148 148 ASN N N 148 120.210 114.953 5.257 1
1 1 . 4 1 1 A 2 2 ALA HA H 2 4.182 4.129 0.053 1
1 5 . 4 1 1 A 2 2 ALA CA C 2 51.510 54.318 -2.808 1
1 6 . 4 1 1 A 2 2 ALA CB C 2 20.090 18.375 1.715 1
1 7 . 4 1 1 A 3 3 HIS H H 3 9.173 9.207 -0.034 1
1 8 . 4 1 1 A 3 3 HIS HA H 3 5.839 5.487 0.352 1
1 12 . 4 1 1 A 3 3 HIS CA C 3 56.960 54.903 2.057 1
1 13 . 4 1 1 A 3 3 HIS CB C 3 32.820 33.762 -0.942 1
1 15 . 4 1 1 A 3 3 HIS N N 3 118.801 117.396 1.405 1
1 16 . 4 1 1 A 4 4 ILE H H 4 9.494 9.179 0.315 1
1 17 . 4 1 1 A 4 4 ILE HA H 4 5.508 5.357 0.151 1
1 27 . 4 1 1 A 4 4 ILE CA C 4 58.300 59.281 -0.981 1
1 28 . 4 1 1 A 4 4 ILE CB C 4 41.930 42.267 -0.337 1
1 32 . 4 1 1 A 4 4 ILE N N 4 118.202 117.172 1.030 1
1 33 . 4 1 1 A 5 5 PHE H H 5 8.815 9.026 -0.211 1
1 34 . 4 1 1 A 5 5 PHE HA H 5 5.789 5.717 0.072 1
1 42 . 4 1 1 A 5 5 PHE CA C 5 55.153 55.619 -0.466 1
1 43 . 4 1 1 A 5 5 PHE CB C 5 40.740 42.431 -1.691 1
1 47 . 4 1 1 A 5 5 PHE N N 5 126.107 124.703 1.404 1
1 48 . 4 1 1 A 6 6 VAL H H 6 9.078 9.012 0.066 1
1 49 . 4 1 1 A 6 6 VAL HA H 6 4.357 4.633 -0.276 1
1 57 . 4 1 1 A 6 6 VAL CA C 6 59.157 59.904 -0.747 1
1 58 . 4 1 1 A 6 6 VAL CB C 6 33.473 33.523 -0.050 1
1 61 . 4 1 1 A 6 6 VAL N N 6 118.658 121.185 -2.527 1
1 62 . 4 1 1 A 7 7 TYR H H 7 6.878 7.966 -1.088 1
1 63 . 4 1 1 A 7 7 TYR HA H 7 4.170 4.840 -0.670 1
1 66 . 4 1 1 A 7 7 TYR CB C 7 36.608 40.756 -4.148 1
1 67 . 4 1 1 A 7 7 TYR N N 7 116.860 120.239 -3.379 1
1 68 . 4 1 1 A 8 8 GLY HA2 H 8 4.195 3.655 0.540 1
1 69 . 4 1 1 A 8 8 GLY HA3 H 8 2.933 3.722 -0.789 1
1 70 . 4 1 1 A 8 8 GLY CA C 8 46.169 43.906 2.263 1
1 71 . 4 1 1 A 9 9 THR H H 9 7.618 8.069 -0.451 1
1 72 . 4 1 1 A 9 9 THR HA H 9 3.831 3.741 0.090 1
1 77 . 4 1 1 A 9 9 THR CA C 9 64.570 65.093 -0.523 1
1 78 . 4 1 1 A 9 9 THR CB C 9 68.494 68.227 0.267 1
1 80 . 4 1 1 A 9 9 THR N N 9 115.934 113.128 2.806 1
1 81 . 4 1 1 A 10 10 LEU H H 10 7.561 7.573 -0.012 1
1 82 . 4 1 1 A 10 10 LEU HA H 10 3.673 3.870 -0.197 1
1 92 . 4 1 1 A 10 10 LEU CA C 10 55.950 54.914 1.036 1
1 93 . 4 1 1 A 10 10 LEU CB C 10 41.610 41.069 0.541 1
1 97 . 4 1 1 A 10 10 LEU N N 10 120.151 121.785 -1.634 1
1 98 . 4 1 1 A 11 11 LYS H H 11 6.738 7.849 -1.111 1
1 99 . 4 1 1 A 11 11 LYS HA H 11 4.007 4.059 -0.052 1
1 103 . 4 1 1 A 11 11 LYS CA C 11 57.390 58.536 -1.146 1
1 104 . 4 1 1 A 11 11 LYS CB C 11 34.322 33.085 1.237 1
1 106 . 4 1 1 A 11 11 LYS N N 11 116.295 119.812 -3.517 1
1 107 . 4 1 1 A 12 12 ARG H H 12 9.432 8.182 1.250 1
1 108 . 4 1 1 A 12 12 ARG HA H 12 2.029 4.226 -2.197 1
1 115 . 4 1 1 A 12 12 ARG CA C 12 58.420 58.567 -0.147 1
1 116 . 4 1 1 A 12 12 ARG CB C 12 29.190 30.505 -1.315 1
1 119 . 4 1 1 A 12 12 ARG N N 12 120.863 117.961 2.902 1
1 120 . 4 1 1 A 13 13 GLY H H 13 8.048 7.462 0.586 1
1 121 . 4 1 1 A 13 13 GLY HA2 H 13 3.990 3.833 0.157 1
1 122 . 4 1 1 A 13 13 GLY HA3 H 13 3.538 3.956 -0.418 1
1 123 . 4 1 1 A 13 13 GLY CA C 13 45.490 45.589 -0.099 1
1 124 . 4 1 1 A 13 13 GLY N N 13 111.120 104.712 6.408 1
1 125 . 4 1 1 A 14 14 GLN H H 14 7.904 7.536 0.368 1
1 126 . 4 1 1 A 14 14 GLN HA H 14 4.682 4.361 0.321 1
1 133 . 4 1 1 A 14 14 GLN CA C 14 53.440 54.549 -1.109 1
1 134 . 4 1 1 A 14 14 GLN CB C 14 27.115 28.429 -1.314 1
1 136 . 4 1 1 A 14 14 GLN N N 14 117.811 120.227 -2.416 1
1 138 . 4 1 1 A 15 15 PRO HA H 15 4.342 4.507 -0.165 1
1 145 . 4 1 1 A 15 15 PRO CA C 15 66.870 64.191 2.679 1
1 146 . 4 1 1 A 15 15 PRO CB C 15 34.060 31.562 2.498 1
1 149 . 4 1 1 A 16 16 ASN H H 16 8.287 8.283 0.004 1
1 150 . 4 1 1 A 16 16 ASN HA H 16 5.356 4.844 0.512 1
1 155 . 4 1 1 A 16 16 ASN CA C 16 52.230 53.694 -1.464 1
1 156 . 4 1 1 A 16 16 ASN CB C 16 39.030 39.876 -0.846 1
1 157 . 4 1 1 A 16 16 ASN N N 16 110.638 116.265 -5.627 1
1 159 . 4 1 1 A 17 17 HIS H H 17 7.819 8.049 -0.230 1
1 160 . 4 1 1 A 17 17 HIS HA H 17 3.815 3.952 -0.137 1
1 164 . 4 1 1 A 17 17 HIS CA C 17 60.140 60.047 0.093 1
1 165 . 4 1 1 A 17 17 HIS CB C 17 27.680 29.913 -2.233 1
1 167 . 4 1 1 A 17 17 HIS N N 17 121.058 120.615 0.443 1
1 168 . 4 1 1 A 18 18 LYS H H 18 8.326 8.194 0.132 1
1 169 . 4 1 1 A 18 18 LYS HA H 18 3.695 4.049 -0.354 1
1 175 . 4 1 1 A 18 18 LYS CA C 18 58.890 58.840 0.050 1
1 176 . 4 1 1 A 18 18 LYS CB C 18 31.070 31.448 -0.378 1
1 180 . 4 1 1 A 18 18 LYS N N 18 112.812 117.231 -4.419 1
1 181 . 4 1 1 A 19 19 VAL H H 19 7.373 7.710 -0.337 1
1 182 . 4 1 1 A 19 19 VAL HA H 19 3.816 3.683 0.133 1
1 190 . 4 1 1 A 19 19 VAL CA C 19 64.960 65.139 -0.179 1
1 191 . 4 1 1 A 19 19 VAL CB C 19 30.960 31.237 -0.277 1
1 194 . 4 1 1 A 19 19 VAL N N 19 117.691 116.566 1.125 1
1 195 . 4 1 1 A 20 20 MET H H 20 7.329 7.956 -0.627 1
1 196 . 4 1 1 A 20 20 MET HA H 20 3.951 4.191 -0.240 1
1 204 . 4 1 1 A 20 20 MET CA C 20 55.560 57.554 -1.994 1
1 205 . 4 1 1 A 20 20 MET CB C 20 31.460 32.045 -0.585 1
1 208 . 4 1 1 A 20 20 MET N N 20 114.870 119.381 -4.511 1
1 209 . 4 1 1 A 21 21 LEU H H 21 6.718 7.524 -0.806 1
1 210 . 4 1 1 A 21 21 LEU HA H 21 4.091 4.323 -0.232 1
1 220 . 4 1 1 A 21 21 LEU CA C 21 54.140 55.856 -1.716 1
1 221 . 4 1 1 A 21 21 LEU CB C 21 42.310 41.966 0.344 1
1 225 . 4 1 1 A 21 21 LEU N N 21 116.021 118.195 -2.174 1
1 226 . 4 1 1 A 22 22 ASP H H 22 6.399 7.366 -0.967 1
1 227 . 4 1 1 A 22 22 ASP HA H 22 4.288 4.700 -0.412 1
1 229 . 4 1 1 A 22 22 ASP CA C 22 52.776 52.444 0.332 1
1 230 . 4 1 1 A 22 22 ASP CB C 22 40.180 40.621 -0.441 1
1 231 . 4 1 1 A 22 22 ASP N N 22 117.972 122.554 -4.582 1
1 232 . 4 1 1 A 23 23 HIS H H 23 8.601 8.829 -0.228 1
1 233 . 4 1 1 A 23 23 HIS HA H 23 4.848 4.293 0.555 1
1 237 . 4 1 1 A 23 23 HIS CA C 23 55.800 59.382 -3.582 1
1 238 . 4 1 1 A 23 23 HIS CB C 23 27.860 30.269 -2.409 1
1 240 . 4 1 1 A 23 23 HIS N N 23 123.395 126.199 -2.804 1
1 241 . 4 1 1 A 24 24 SER H H 24 8.526 7.984 0.542 1
1 242 . 4 1 1 A 24 24 SER HA H 24 4.105 3.903 0.202 1
1 244 . 4 1 1 A 24 24 SER CA C 24 60.870 60.759 0.111 1
1 245 . 4 1 1 A 24 24 SER CB C 24 62.510 62.731 -0.221 1
1 246 . 4 1 1 A 24 24 SER N N 24 117.035 114.109 2.926 1
1 247 . 4 1 1 A 25 25 HIS H H 25 7.450 7.602 -0.152 1
1 248 . 4 1 1 A 25 25 HIS HA H 25 4.494 4.040 0.454 1
1 252 . 4 1 1 A 25 25 HIS CA C 25 53.900 58.102 -4.202 1
1 253 . 4 1 1 A 25 25 HIS CB C 25 28.320 29.401 -1.081 1
1 255 . 4 1 1 A 25 25 HIS N N 25 117.560 117.004 0.556 1
1 256 . 4 1 1 A 26 26 GLY H H 26 6.926 6.854 0.072 1
1 257 . 4 1 1 A 26 26 GLY HA2 H 26 3.587 3.819 -0.232 1
1 258 . 4 1 1 A 26 26 GLY HA3 H 26 4.362 3.935 0.427 1
1 259 . 4 1 1 A 26 26 GLY CA C 26 43.730 44.814 -1.084 1
1 260 . 4 1 1 A 26 26 GLY N N 26 103.120 104.950 -1.830 1
1 261 . 4 1 1 A 27 27 LEU H H 27 8.579 8.374 0.205 1
1 262 . 4 1 1 A 27 27 LEU HA H 27 4.327 4.754 -0.427 1
1 271 . 4 1 1 A 27 27 LEU CA C 27 54.520 55.151 -0.631 1
1 272 . 4 1 1 A 27 27 LEU CB C 27 44.250 42.837 1.413 1
1 276 . 4 1 1 A 27 27 LEU N N 27 121.940 121.377 0.563 1
1 277 . 4 1 1 A 28 28 ALA H H 28 7.776 8.610 -0.834 1
1 278 . 4 1 1 A 28 28 ALA HA H 28 5.231 5.623 -0.392 1
1 282 . 4 1 1 A 28 28 ALA CA C 28 50.990 51.186 -0.196 1
1 283 . 4 1 1 A 28 28 ALA CB C 28 22.580 23.470 -0.890 1
1 284 . 4 1 1 A 28 28 ALA N N 28 123.020 128.324 -5.304 1
1 285 . 4 1 1 A 29 29 ALA H H 29 9.231 8.436 0.795 1
1 286 . 4 1 1 A 29 29 ALA HA H 29 4.857 5.066 -0.209 1
1 290 . 4 1 1 A 29 29 ALA CA C 29 50.661 51.396 -0.735 1
1 291 . 4 1 1 A 29 29 ALA CB C 29 21.140 22.933 -1.793 1
1 292 . 4 1 1 A 29 29 ALA N N 29 125.760 121.148 4.612 1
1 293 . 4 1 1 A 30 30 PHE H H 30 9.083 8.972 0.111 1
1 294 . 4 1 1 A 30 30 PHE HA H 30 3.397 3.715 -0.318 1
1 301 . 4 1 1 A 30 30 PHE CA C 30 59.895 59.000 0.895 1
1 302 . 4 1 1 A 30 30 PHE CB C 30 38.810 39.288 -0.478 1
1 305 . 4 1 1 A 30 30 PHE N N 30 126.590 121.805 4.785 1
1 306 . 4 1 1 A 31 31 ARG H H 31 8.102 8.326 -0.224 1
1 307 . 4 1 1 A 31 31 ARG HA H 31 3.941 4.000 -0.059 1
1 314 . 4 1 1 A 31 31 ARG CA C 31 53.120 54.147 -1.027 1
1 315 . 4 1 1 A 31 31 ARG CB C 31 31.665 30.427 1.238 1
1 318 . 4 1 1 A 31 31 ARG N N 31 125.007 126.855 -1.848 1
1 320 . 4 1 1 A 32 32 GLY H H 32 5.465 6.250 -0.785 1
1 321 . 4 1 1 A 32 32 GLY HA2 H 32 3.264 3.434 -0.170 1
1 322 . 4 1 1 A 32 32 GLY HA3 H 32 4.670 3.573 1.097 1
1 323 . 4 1 1 A 32 32 GLY CA C 32 45.150 43.778 1.372 1
1 324 . 4 1 1 A 32 32 GLY N N 32 101.400 110.346 -8.946 1
1 325 . 4 1 1 A 33 33 ARG H H 33 8.345 8.296 0.049 1
1 326 . 4 1 1 A 33 33 ARG HA H 33 5.158 5.180 -0.022 1
1 332 . 4 1 1 A 33 33 ARG CA C 33 54.924 53.953 0.971 1
1 333 . 4 1 1 A 33 33 ARG CB C 33 34.180 34.456 -0.276 1
1 336 . 4 1 1 A 33 33 ARG N N 33 116.822 116.259 0.563 1
1 338 . 4 1 1 A 34 34 GLY H H 34 8.549 8.534 0.015 1
1 339 . 4 1 1 A 34 34 GLY HA2 H 34 5.154 4.437 0.717 1
1 340 . 4 1 1 A 34 34 GLY HA3 H 34 3.752 4.492 -0.740 1
1 341 . 4 1 1 A 34 34 GLY CA C 34 45.620 45.930 -0.310 1
1 342 . 4 1 1 A 34 34 GLY N N 34 107.400 105.994 1.406 1
1 343 . 4 1 1 A 35 35 CYS H H 35 8.803 8.132 0.671 1
1 344 . 4 1 1 A 35 35 CYS HA H 35 5.893 5.616 0.277 1
1 347 . 4 1 1 A 35 35 CYS CA C 35 55.420 57.498 -2.078 1
1 348 . 4 1 1 A 35 35 CYS CB C 35 30.960 31.212 -0.252 1
1 349 . 4 1 1 A 35 35 CYS N N 35 117.781 117.442 0.339 1
1 350 . 4 1 1 A 36 36 THR H H 36 9.033 8.967 0.066 1
1 351 . 4 1 1 A 36 36 THR HA H 36 3.835 4.344 -0.509 1
1 356 . 4 1 1 A 36 36 THR CA C 36 64.160 61.456 2.704 1
1 357 . 4 1 1 A 36 36 THR CB C 36 68.200 67.972 0.228 1
1 359 . 4 1 1 A 36 36 THR N N 36 117.973 115.078 2.895 1
1 360 . 4 1 1 A 37 37 VAL H H 37 7.545 7.740 -0.195 1
1 361 . 4 1 1 A 37 37 VAL HA H 37 3.709 3.715 -0.006 1
1 369 . 4 1 1 A 37 37 VAL CA C 37 65.740 65.536 0.204 1
1 370 . 4 1 1 A 37 37 VAL CB C 37 32.410 31.399 1.011 1
1 373 . 4 1 1 A 37 37 VAL N N 37 121.706 122.428 -0.722 1
1 374 . 4 1 1 A 38 38 GLU H H 38 8.540 7.784 0.756 1
1 375 . 4 1 1 A 38 38 GLU HA H 38 4.264 4.402 -0.138 1
1 380 . 4 1 1 A 38 38 GLU CA C 38 54.260 56.161 -1.901 1
1 381 . 4 1 1 A 38 38 GLU CB C 38 30.770 29.745 1.025 1
1 383 . 4 1 1 A 38 38 GLU N N 38 119.219 120.700 -1.481 1
1 384 . 4 1 1 A 39 39 SER H H 39 8.692 7.874 0.818 1
1 385 . 4 1 1 A 39 39 SER HA H 39 4.035 4.220 -0.185 1
1 388 . 4 1 1 A 39 39 SER CA C 39 57.370 58.688 -1.318 1
1 389 . 4 1 1 A 39 39 SER CB C 39 63.760 61.862 1.898 1
1 390 . 4 1 1 A 39 39 SER N N 39 118.941 112.060 6.881 1
1 391 . 4 1 1 A 40 40 PHE H H 40 8.302 9.287 -0.985 1
1 392 . 4 1 1 A 40 40 PHE HA H 40 4.986 4.881 0.105 1
1 400 . 4 1 1 A 40 40 PHE CA C 40 57.320 55.588 1.732 1
1 401 . 4 1 1 A 40 40 PHE CB C 40 44.292 42.059 2.233 1
1 405 . 4 1 1 A 40 40 PHE N N 40 119.300 124.267 -4.967 1
1 406 . 4 1 1 A 41 41 PRO HA H 41 3.828 4.032 -0.204 1
1 413 . 4 1 1 A 41 41 PRO CA C 41 62.270 62.036 0.234 1
1 414 . 4 1 1 A 41 41 PRO CB C 41 30.790 31.272 -0.482 1
1 417 . 4 1 1 A 42 42 LEU H H 42 7.964 8.693 -0.729 1
1 418 . 4 1 1 A 42 42 LEU HA H 42 5.352 5.124 0.228 1
1 427 . 4 1 1 A 42 42 LEU CA C 42 53.830 53.382 0.448 1
1 428 . 4 1 1 A 42 42 LEU CB C 42 42.380 44.104 -1.724 1
1 431 . 4 1 1 A 42 42 LEU N N 42 129.948 124.205 5.743 1
1 432 . 4 1 1 A 43 43 VAL H H 43 8.607 8.957 -0.350 1
1 433 . 4 1 1 A 43 43 VAL HA H 43 5.296 5.210 0.086 1
1 441 . 4 1 1 A 43 43 VAL CA C 43 58.040 59.814 -1.774 1
1 442 . 4 1 1 A 43 43 VAL CB C 43 35.220 34.064 1.156 1
1 445 . 4 1 1 A 43 43 VAL N N 43 117.190 122.612 -5.422 1
1 446 . 4 1 1 A 44 44 ILE H H 44 9.056 8.674 0.382 1
1 447 . 4 1 1 A 44 44 ILE HA H 44 4.426 4.494 -0.068 1
1 457 . 4 1 1 A 44 44 ILE CA C 44 61.156 60.807 0.349 1
1 458 . 4 1 1 A 44 44 ILE CB C 44 38.544 38.065 0.479 1
1 462 . 4 1 1 A 44 44 ILE N N 44 122.963 124.992 -2.029 1
1 463 . 4 1 1 A 45 45 ALA H H 45 8.701 8.448 0.253 1
1 464 . 4 1 1 A 45 45 ALA HA H 45 4.626 4.761 -0.135 1
1 468 . 4 1 1 A 45 45 ALA CA C 45 51.430 50.752 0.678 1
1 469 . 4 1 1 A 45 45 ALA CB C 45 21.670 21.020 0.650 1
1 470 . 4 1 1 A 45 45 ALA N N 45 126.347 128.962 -2.615 1
1 471 . 4 1 1 A 46 46 GLY H H 46 8.486 8.636 -0.150 1
1 472 . 4 1 1 A 46 46 GLY HA2 H 46 4.587 4.319 0.268 1
1 473 . 4 1 1 A 46 46 GLY HA3 H 46 4.084 4.328 -0.244 1
1 474 . 4 1 1 A 46 46 GLY CA C 46 44.500 44.875 -0.375 1
1 475 . 4 1 1 A 46 46 GLY N N 46 108.262 106.447 1.815 1
1 476 . 4 1 1 A 47 47 GLU H H 47 8.938 8.826 0.112 1
1 477 . 4 1 1 A 47 47 GLU HA H 47 4.003 4.143 -0.140 1
1 480 . 4 1 1 A 47 47 GLU CA C 47 58.820 58.343 0.477 1
1 481 . 4 1 1 A 47 47 GLU CB C 47 29.500 29.571 -0.071 1
1 482 . 4 1 1 A 47 47 GLU N N 47 118.010 121.179 -3.169 1
1 483 . 4 1 1 A 48 48 HIS H H 48 8.742 7.696 1.046 1
1 484 . 4 1 1 A 48 48 HIS HA H 48 4.704 4.555 0.149 1
1 488 . 4 1 1 A 48 48 HIS CA C 48 55.130 55.801 -0.671 1
1 489 . 4 1 1 A 48 48 HIS CB C 48 29.110 30.106 -0.996 1
1 491 . 4 1 1 A 48 48 HIS N N 48 115.306 114.273 1.033 1
1 492 . 4 1 1 A 49 49 ASN H H 49 7.810 7.963 -0.153 1
1 493 . 4 1 1 A 49 49 ASN HA H 49 3.878 4.212 -0.334 1
1 498 . 4 1 1 A 49 49 ASN CA C 49 53.876 54.046 -0.170 1
1 499 . 4 1 1 A 49 49 ASN CB C 49 36.030 36.867 -0.837 1
1 500 . 4 1 1 A 49 49 ASN N N 49 114.919 114.727 0.192 1
1 502 . 4 1 1 A 50 50 ILE H H 50 7.046 8.270 -1.224 1
1 503 . 4 1 1 A 50 50 ILE HA H 50 4.022 4.606 -0.584 1
1 513 . 4 1 1 A 50 50 ILE CA C 50 59.430 57.984 1.446 1
1 514 . 4 1 1 A 50 50 ILE CB C 50 41.326 38.950 2.376 1
1 518 . 4 1 1 A 50 50 ILE N N 50 120.995 119.455 1.540 1
1 519 . 4 1 1 A 51 51 PRO HA H 51 5.194 4.749 0.445 1
1 521 . 4 1 1 A 51 51 PRO CA C 51 60.560 62.238 -1.678 1
1 522 . 4 1 1 A 51 51 PRO CB C 51 31.841 32.497 -0.656 1
1 523 . 4 1 1 A 52 52 TRP H H 52 9.564 8.522 1.042 1
1 524 . 4 1 1 A 52 52 TRP HA H 52 4.805 5.332 -0.527 1
1 532 . 4 1 1 A 52 52 TRP CA C 52 56.550 56.023 0.527 1
1 533 . 4 1 1 A 52 52 TRP CB C 52 32.300 32.678 -0.378 1
1 539 . 4 1 1 A 52 52 TRP N N 52 123.070 121.685 1.385 1
1 541 . 4 1 1 A 53 53 LEU H H 53 7.227 9.092 -1.865 1
1 542 . 4 1 1 A 53 53 LEU HA H 53 4.863 4.921 -0.058 1
1 552 . 4 1 1 A 53 53 LEU CA C 53 53.790 54.325 -0.535 1
1 553 . 4 1 1 A 53 53 LEU CB C 53 42.250 43.664 -1.414 1
1 557 . 4 1 1 A 53 53 LEU N N 53 124.700 126.521 -1.821 1
1 558 . 4 1 1 A 54 54 LEU H H 54 9.021 9.134 -0.113 1
1 559 . 4 1 1 A 54 54 LEU HA H 54 4.618 4.762 -0.144 1
1 569 . 4 1 1 A 54 54 LEU CA C 54 54.030 54.195 -0.165 1
1 570 . 4 1 1 A 54 54 LEU CB C 54 40.360 42.590 -2.230 1
1 574 . 4 1 1 A 54 54 LEU N N 54 126.893 129.085 -2.192 1
1 575 . 4 1 1 A 55 55 TYR H H 55 8.884 9.054 -0.170 1
1 576 . 4 1 1 A 55 55 TYR HA H 55 4.562 4.918 -0.356 1
1 583 . 4 1 1 A 55 55 TYR CA C 55 58.420 57.184 1.236 1
1 584 . 4 1 1 A 55 55 TYR CB C 55 36.180 38.477 -2.297 1
1 587 . 4 1 1 A 55 55 TYR N N 55 123.430 126.205 -2.775 1
1 588 . 4 1 1 A 56 56 LEU H H 56 8.192 8.204 -0.012 1
1 589 . 4 1 1 A 56 56 LEU HA H 56 4.530 4.485 0.045 1
1 598 . 4 1 1 A 56 56 LEU CA C 56 51.720 51.612 0.108 1
1 599 . 4 1 1 A 56 56 LEU CB C 56 43.260 42.860 0.400 1
1 602 . 4 1 1 A 56 56 LEU N N 56 130.832 128.891 1.941 1
1 603 . 4 1 1 A 57 57 PRO HA H 57 3.779 3.494 0.285 1
1 610 . 4 1 1 A 57 57 PRO CA C 57 62.240 62.953 -0.713 1
1 611 . 4 1 1 A 57 57 PRO CB C 57 31.130 31.267 -0.137 1
1 614 . 4 1 1 A 58 58 GLY H H 58 8.908 8.883 0.025 1
1 615 . 4 1 1 A 58 58 GLY HA2 H 58 4.027 3.720 0.307 1
1 616 . 4 1 1 A 58 58 GLY HA3 H 58 3.433 3.741 -0.308 1
1 617 . 4 1 1 A 58 58 GLY CA C 58 44.860 46.724 -1.864 1
1 618 . 4 1 1 A 58 58 GLY N N 58 112.351 111.560 0.791 1
1 619 . 4 1 1 A 59 59 LYS H H 59 7.214 7.622 -0.408 1
1 620 . 4 1 1 A 59 59 LYS HA H 59 4.386 4.505 -0.119 1
1 629 . 4 1 1 A 59 59 LYS CA C 59 53.760 55.470 -1.710 1
1 630 . 4 1 1 A 59 59 LYS CB C 59 34.590 35.256 -0.666 1
1 634 . 4 1 1 A 59 59 LYS N N 59 121.458 119.692 1.766 1
1 635 . 4 1 1 A 60 60 GLY H H 60 8.312 8.447 -0.135 1
1 636 . 4 1 1 A 60 60 GLY HA2 H 60 3.379 3.055 0.324 1
1 637 . 4 1 1 A 60 60 GLY HA3 H 60 3.229 3.365 -0.136 1
1 638 . 4 1 1 A 60 60 GLY CA C 60 45.350 46.489 -1.139 1
1 639 . 4 1 1 A 60 60 GLY N N 60 103.990 113.910 -9.920 1
1 640 . 4 1 1 A 61 61 HIS H H 61 7.880 7.889 -0.009 1
1 641 . 4 1 1 A 61 61 HIS HA H 61 4.868 5.383 -0.515 1
1 645 . 4 1 1 A 61 61 HIS CA C 61 53.920 54.637 -0.717 1
1 646 . 4 1 1 A 61 61 HIS CB C 61 33.020 34.531 -1.511 1
1 648 . 4 1 1 A 61 61 HIS N N 61 121.221 120.134 1.087 1
1 649 . 4 1 1 A 62 62 CYS H H 62 8.760 8.603 0.157 1
1 650 . 4 1 1 A 62 62 CYS HA H 62 4.248 4.983 -0.735 1
1 653 . 4 1 1 A 62 62 CYS CA C 62 61.730 57.540 4.190 1
1 654 . 4 1 1 A 62 62 CYS CB C 62 26.560 27.614 -1.054 1
1 655 . 4 1 1 A 62 62 CYS N N 62 121.842 120.466 1.376 1
1 656 . 4 1 1 A 63 63 VAL H H 63 8.109 8.706 -0.597 1
1 657 . 4 1 1 A 63 63 VAL HA H 63 4.869 4.310 0.559 1
1 665 . 4 1 1 A 63 63 VAL CA C 63 62.210 63.427 -1.217 1
1 666 . 4 1 1 A 63 63 VAL CB C 63 34.780 31.604 3.176 1
1 669 . 4 1 1 A 63 63 VAL N N 63 127.029 126.593 0.436 1
1 670 . 4 1 1 A 64 64 THR H H 64 8.453 8.935 -0.482 1
1 671 . 4 1 1 A 64 64 THR HA H 64 5.349 4.792 0.557 1
1 676 . 4 1 1 A 64 64 THR CA C 64 61.100 61.533 -0.433 1
1 677 . 4 1 1 A 64 64 THR CB C 64 70.790 69.941 0.849 1
1 679 . 4 1 1 A 64 64 THR N N 64 116.830 120.211 -3.381 1
1 680 . 4 1 1 A 65 65 GLY H H 65 8.663 8.945 -0.282 1
1 681 . 4 1 1 A 65 65 GLY HA2 H 65 4.085 3.858 0.227 1
1 682 . 4 1 1 A 65 65 GLY HA3 H 65 3.480 4.266 -0.786 1
1 683 . 4 1 1 A 65 65 GLY CA C 65 46.570 46.075 0.495 1
1 684 . 4 1 1 A 65 65 GLY N N 65 107.680 109.270 -1.590 1
1 685 . 4 1 1 A 66 66 GLU H H 66 8.574 8.355 0.219 1
1 686 . 4 1 1 A 66 66 GLU HA H 66 5.150 5.405 -0.255 1
1 689 . 4 1 1 A 66 66 GLU CA C 66 54.450 54.602 -0.152 1
1 690 . 4 1 1 A 66 66 GLU CB C 66 37.328 34.256 3.072 1
1 691 . 4 1 1 A 66 66 GLU N N 66 120.921 119.001 1.920 1
1 692 . 4 1 1 A 67 67 ILE H H 67 8.623 8.635 -0.012 1
1 693 . 4 1 1 A 67 67 ILE HA H 67 5.149 5.063 0.086 1
1 703 . 4 1 1 A 67 67 ILE CA C 67 60.180 60.430 -0.250 1
1 704 . 4 1 1 A 67 67 ILE CB C 67 40.210 39.222 0.988 1
1 708 . 4 1 1 A 67 67 ILE N N 67 121.340 122.080 -0.740 1
1 709 . 4 1 1 A 68 68 TYR H H 68 9.196 9.437 -0.241 1
1 710 . 4 1 1 A 68 68 TYR HA H 68 5.001 5.194 -0.193 1
1 717 . 4 1 1 A 68 68 TYR CA C 68 56.270 56.448 -0.178 1
1 718 . 4 1 1 A 68 68 TYR CB C 68 41.480 41.478 0.002 1
1 721 . 4 1 1 A 68 68 TYR N N 68 123.650 125.928 -2.278 1
1 722 . 4 1 1 A 69 69 GLU H H 69 9.302 8.993 0.309 1
1 723 . 4 1 1 A 69 69 GLU HA H 69 5.066 4.510 0.556 1
1 728 . 4 1 1 A 69 69 GLU CA C 69 55.180 57.203 -2.023 1
1 729 . 4 1 1 A 69 69 GLU CB C 69 31.420 30.782 0.638 1
1 731 . 4 1 1 A 69 69 GLU N N 69 124.090 124.556 -0.466 1
1 732 . 4 1 1 A 70 70 VAL H H 70 8.908 8.414 0.494 1
1 733 . 4 1 1 A 70 70 VAL HA H 70 5.556 5.342 0.214 1
1 741 . 4 1 1 A 70 70 VAL CA C 70 57.780 58.774 -0.994 1
1 742 . 4 1 1 A 70 70 VAL CB C 70 35.400 36.355 -0.955 1
1 745 . 4 1 1 A 70 70 VAL N N 70 119.540 119.713 -0.173 1
1 746 . 4 1 1 A 71 71 ASP H H 71 7.939 8.715 -0.776 1
1 747 . 4 1 1 A 71 71 ASP HA H 71 4.909 5.047 -0.138 1
1 750 . 4 1 1 A 71 71 ASP CA C 71 51.240 52.192 -0.952 1
1 751 . 4 1 1 A 71 71 ASP CB C 71 42.210 43.864 -1.654 1
1 752 . 4 1 1 A 71 71 ASP N N 71 120.720 121.131 -0.411 1
1 753 . 4 1 1 A 72 72 GLU H H 72 8.364 9.026 -0.662 1
1 754 . 4 1 1 A 72 72 GLU HA H 72 3.869 3.909 -0.040 1
1 757 . 4 1 1 A 72 72 GLU CA C 72 59.775 60.514 -0.739 1
1 758 . 4 1 1 A 72 72 GLU CB C 72 29.140 29.631 -0.491 1
1 760 . 4 1 1 A 72 72 GLU N N 72 117.910 121.690 -3.780 1
1 761 . 4 1 1 A 73 73 GLN H H 73 7.960 7.910 0.050 1
1 762 . 4 1 1 A 73 73 GLN HA H 73 3.899 4.130 -0.231 1
1 767 . 4 1 1 A 73 73 GLN CA C 73 59.570 58.835 0.735 1
1 768 . 4 1 1 A 73 73 GLN CB C 73 27.810 28.464 -0.654 1
1 770 . 4 1 1 A 73 73 GLN N N 73 119.617 119.326 0.291 1
1 772 . 4 1 1 A 74 74 MET H H 74 8.489 7.770 0.719 1
1 773 . 4 1 1 A 74 74 MET HA H 74 4.766 4.343 0.423 1
1 780 . 4 1 1 A 74 74 MET CA C 74 56.790 58.459 -1.669 1
1 781 . 4 1 1 A 74 74 MET CB C 74 31.900 32.520 -0.620 1
1 784 . 4 1 1 A 74 74 MET N N 74 121.800 119.558 2.242 1
1 785 . 4 1 1 A 75 75 LEU H H 75 8.162 8.412 -0.250 1
1 786 . 4 1 1 A 75 75 LEU HA H 75 3.897 4.120 -0.223 1
1 796 . 4 1 1 A 75 75 LEU CA C 75 58.230 57.816 0.414 1
1 797 . 4 1 1 A 75 75 LEU CB C 75 42.160 40.932 1.228 1
1 801 . 4 1 1 A 75 75 LEU N N 75 120.230 121.583 -1.353 1
1 802 . 4 1 1 A 76 76 ARG H H 76 7.824 8.155 -0.331 1
1 803 . 4 1 1 A 76 76 ARG HA H 76 3.952 4.055 -0.103 1
1 811 . 4 1 1 A 76 76 ARG CA C 76 59.270 59.155 0.115 1
1 812 . 4 1 1 A 76 76 ARG CB C 76 29.930 30.370 -0.440 1
1 815 . 4 1 1 A 76 76 ARG N N 76 116.540 120.139 -3.599 1
1 817 . 4 1 1 A 77 77 PHE H H 77 8.137 8.631 -0.494 1
1 818 . 4 1 1 A 77 77 PHE HA H 77 4.085 4.167 -0.082 1
1 825 . 4 1 1 A 77 77 PHE CA C 77 61.980 61.312 0.668 1
1 826 . 4 1 1 A 77 77 PHE CB C 77 38.530 39.212 -0.682 1
1 829 . 4 1 1 A 77 77 PHE N N 77 120.650 122.149 -1.499 1
1 830 . 4 1 1 A 78 78 LEU H H 78 9.071 8.620 0.451 1
1 831 . 4 1 1 A 78 78 LEU HA H 78 3.629 3.574 0.055 1
1 841 . 4 1 1 A 78 78 LEU CA C 78 57.730 57.567 0.163 1
1 842 . 4 1 1 A 78 78 LEU CB C 78 41.420 40.824 0.596 1
1 846 . 4 1 1 A 78 78 LEU N N 78 122.360 119.194 3.166 1
1 847 . 4 1 1 A 79 79 ASP H H 79 8.506 7.987 0.519 1
1 848 . 4 1 1 A 79 79 ASP HA H 79 4.320 4.756 -0.436 1
1 851 . 4 1 1 A 79 79 ASP CA C 79 57.190 56.459 0.731 1
1 852 . 4 1 1 A 79 79 ASP CB C 79 39.420 40.705 -1.285 1
1 853 . 4 1 1 A 79 79 ASP N N 79 120.070 119.038 1.032 1
1 854 . 4 1 1 A 80 80 ASP H H 80 7.154 8.017 -0.863 1
1 855 . 4 1 1 A 80 80 ASP HA H 80 4.501 4.937 -0.436 1
1 858 . 4 1 1 A 80 80 ASP CA C 80 56.700 54.776 1.924 1
1 859 . 4 1 1 A 80 80 ASP CB C 80 40.660 43.337 -2.677 1
1 860 . 4 1 1 A 80 80 ASP N N 80 118.890 119.558 -0.668 1
1 861 . 4 1 1 A 81 81 PHE H H 81 8.791 7.621 1.170 1
1 862 . 4 1 1 A 81 81 PHE HA H 81 3.659 3.798 -0.139 1
1 867 . 4 1 1 A 81 81 PHE CA C 81 61.640 60.086 1.554 1
1 868 . 4 1 1 A 81 81 PHE CB C 81 40.210 38.885 1.325 1
1 870 . 4 1 1 A 81 81 PHE N N 81 125.745 120.323 5.422 1
1 871 . 4 1 1 A 82 82 GLU H H 82 8.209 7.034 1.175 1
1 872 . 4 1 1 A 82 82 GLU HA H 82 3.956 4.192 -0.236 1
1 875 . 4 1 1 A 82 82 GLU CA C 82 55.060 54.804 0.256 1
1 876 . 4 1 1 A 82 82 GLU CB C 82 28.910 28.525 0.385 1
1 878 . 4 1 1 A 82 82 GLU N N 82 115.707 114.010 1.697 1
1 879 . 4 1 1 A 83 83 ASP H H 83 7.615 7.724 -0.109 1
1 880 . 4 1 1 A 83 83 ASP HA H 83 4.236 4.219 0.017 1
1 883 . 4 1 1 A 83 83 ASP CA C 83 54.370 55.400 -1.030 1
1 884 . 4 1 1 A 83 83 ASP CB C 83 39.400 40.009 -0.609 1
1 885 . 4 1 1 A 83 83 ASP N N 83 116.517 117.807 -1.290 1
1 886 . 4 1 1 A 84 84 CYS H H 84 8.361 7.791 0.570 1
1 887 . 4 1 1 A 84 84 CYS HA H 84 5.522 5.010 0.512 1
1 890 . 4 1 1 A 84 84 CYS CA C 84 56.617 57.982 -1.365 1
1 891 . 4 1 1 A 84 84 CYS CB C 84 27.651 27.566 0.085 1
1 892 . 4 1 1 A 84 84 CYS N N 84 119.420 117.125 2.295 1
1 893 . 4 1 1 A 85 85 PRO HA H 85 5.704 4.782 0.922 1
1 900 . 4 1 1 A 85 85 PRO CA C 85 64.355 64.245 0.110 1
1 901 . 4 1 1 A 85 85 PRO CB C 85 33.190 31.971 1.219 1
1 904 . 4 1 1 A 86 86 SER H H 86 8.389 8.087 0.302 1
1 905 . 4 1 1 A 86 86 SER HA H 86 4.175 4.225 -0.050 1
1 907 . 4 1 1 A 86 86 SER CA C 86 62.130 61.645 0.485 1
1 908 . 4 1 1 A 86 86 SER CB C 86 63.080 63.106 -0.026 1
1 909 . 4 1 1 A 86 86 SER N N 86 122.195 114.393 7.802 1
1 910 . 4 1 1 A 87 87 MET H H 87 8.576 8.123 0.453 1
1 911 . 4 1 1 A 87 87 MET HA H 87 4.475 4.406 0.069 1
1 918 . 4 1 1 A 87 87 MET CA C 87 57.520 58.470 -0.950 1
1 919 . 4 1 1 A 87 87 MET CB C 87 33.210 33.614 -0.404 1
1 922 . 4 1 1 A 87 87 MET N N 87 121.299 119.346 1.953 1
1 923 . 4 1 1 A 88 88 TYR H H 88 6.778 7.839 -1.061 1
1 924 . 4 1 1 A 88 88 TYR HA H 88 5.023 5.191 -0.168 1
1 931 . 4 1 1 A 88 88 TYR CA C 88 56.300 57.530 -1.230 1
1 932 . 4 1 1 A 88 88 TYR CB C 88 42.530 40.707 1.823 1
1 935 . 4 1 1 A 88 88 TYR N N 88 113.420 115.575 -2.155 1
1 936 . 4 1 1 A 89 89 GLN H H 89 9.567 9.314 0.253 1
1 937 . 4 1 1 A 89 89 GLN HA H 89 4.857 5.147 -0.290 1
1 944 . 4 1 1 A 89 89 GLN CA C 89 55.870 54.760 1.110 1
1 945 . 4 1 1 A 89 89 GLN CB C 89 30.430 32.627 -2.197 1
1 947 . 4 1 1 A 89 89 GLN N N 89 115.440 118.504 -3.064 1
1 949 . 4 1 1 A 90 90 ARG H H 90 8.772 8.692 0.080 1
1 950 . 4 1 1 A 90 90 ARG HA H 90 4.499 4.268 0.231 1
1 958 . 4 1 1 A 90 90 ARG CA C 90 56.620 56.419 0.201 1
1 959 . 4 1 1 A 90 90 ARG CB C 90 29.020 30.790 -1.770 1
1 962 . 4 1 1 A 90 90 ARG N N 90 123.860 124.906 -1.046 1
1 964 . 4 1 1 A 91 91 THR H H 91 9.217 8.972 0.245 1
1 965 . 4 1 1 A 91 91 THR HA H 91 4.518 4.828 -0.310 1
1 970 . 4 1 1 A 91 91 THR CA C 91 60.570 60.761 -0.191 1
1 971 . 4 1 1 A 91 91 THR CB C 91 71.050 73.019 -1.969 1
1 973 . 4 1 1 A 91 91 THR N N 91 125.064 119.979 5.085 1
1 974 . 4 1 1 A 92 92 ALA H H 92 8.655 8.861 -0.206 1
1 975 . 4 1 1 A 92 92 ALA HA H 92 5.041 5.628 -0.587 1
1 979 . 4 1 1 A 92 92 ALA CA C 92 51.320 50.114 1.206 1
1 980 . 4 1 1 A 92 92 ALA CB C 92 19.480 22.647 -3.167 1
1 981 . 4 1 1 A 92 92 ALA N N 92 126.963 124.443 2.520 1
1 982 . 4 1 1 A 93 93 LEU H H 93 9.005 8.506 0.499 1
1 983 . 4 1 1 A 93 93 LEU HA H 93 4.720 5.012 -0.292 1
1 993 . 4 1 1 A 93 93 LEU CA C 93 53.750 53.789 -0.039 1
1 994 . 4 1 1 A 93 93 LEU CB C 93 45.340 45.347 -0.007 1
1 998 . 4 1 1 A 93 93 LEU N N 93 122.440 117.894 4.546 1
1 999 . 4 1 1 A 94 94 GLN H H 94 8.360 8.303 0.057 1
1 1000 . 4 1 1 A 94 94 GLN HA H 94 4.229 4.677 -0.448 1
1 1005 . 4 1 1 A 94 94 GLN CA C 94 56.040 55.007 1.033 1
1 1006 . 4 1 1 A 94 94 GLN CB C 94 28.780 29.925 -1.145 1
1 1008 . 4 1 1 A 94 94 GLN N N 94 119.357 121.006 -1.649 1
1 1010 . 4 1 1 A 95 95 VAL H H 95 8.612 8.892 -0.280 1
1 1011 . 4 1 1 A 95 95 VAL HA H 95 4.013 4.311 -0.298 1
1 1019 . 4 1 1 A 95 95 VAL CA C 95 61.440 61.005 0.435 1
1 1020 . 4 1 1 A 95 95 VAL CB C 95 35.110 34.135 0.975 1
1 1023 . 4 1 1 A 95 95 VAL N N 95 126.928 126.803 0.125 1
1 1024 . 4 1 1 A 96 96 GLN H H 96 9.222 8.795 0.427 1
1 1025 . 4 1 1 A 96 96 GLN HA H 96 4.279 4.511 -0.232 1
1 1032 . 4 1 1 A 96 96 GLN CA C 96 55.150 55.563 -0.413 1
1 1033 . 4 1 1 A 96 96 GLN CB C 96 29.100 29.817 -0.717 1
1 1035 . 4 1 1 A 96 96 GLN N N 96 128.360 125.851 2.509 1
1 1037 . 4 1 1 A 97 97 VAL H H 97 8.233 9.134 -0.901 1
1 1038 . 4 1 1 A 97 97 VAL HA H 97 3.674 4.263 -0.589 1
1 1046 . 4 1 1 A 97 97 VAL CA C 97 64.040 62.494 1.546 1
1 1047 . 4 1 1 A 97 97 VAL CB C 97 31.920 30.882 1.038 1
1 1050 . 4 1 1 A 97 97 VAL N N 97 128.120 126.448 1.672 1
1 1051 . 4 1 1 A 98 98 LEU H H 98 8.880 8.827 0.053 1
1 1052 . 4 1 1 A 98 98 LEU HA H 98 4.472 4.245 0.227 1
1 1059 . 4 1 1 A 98 98 LEU CA C 98 55.641 56.453 -0.812 1
1 1060 . 4 1 1 A 98 98 LEU CB C 98 42.510 42.813 -0.303 1
1 1063 . 4 1 1 A 98 98 LEU N N 98 128.877 129.447 -0.570 1
1 1064 . 4 1 1 A 99 99 GLU H H 99 7.682 7.388 0.294 1
1 1065 . 4 1 1 A 99 99 GLU HA H 99 4.403 4.755 -0.352 1
1 1070 . 4 1 1 A 99 99 GLU CA C 99 56.310 56.167 0.143 1
1 1071 . 4 1 1 A 99 99 GLU CB C 99 32.790 33.306 -0.516 1
1 1073 . 4 1 1 A 99 99 GLU N N 99 118.210 116.320 1.890 1
1 1074 . 4 1 1 A 100 100 TRP H H 100 8.883 8.773 0.110 1
1 1075 . 4 1 1 A 100 100 TRP HA H 100 5.205 5.318 -0.113 1
1 1084 . 4 1 1 A 100 100 TRP CA C 100 55.982 55.397 0.585 1
1 1085 . 4 1 1 A 100 100 TRP CB C 100 32.430 33.060 -0.630 1
1 1091 . 4 1 1 A 100 100 TRP N N 100 126.421 127.900 -1.479 1
1 1093 . 4 1 1 A 101 101 GLU H H 101 8.116 8.048 0.068 1
1 1094 . 4 1 1 A 101 101 GLU HA H 101 4.462 4.641 -0.179 1
1 1098 . 4 1 1 A 101 101 GLU CA C 101 55.050 55.119 -0.069 1
1 1099 . 4 1 1 A 101 101 GLU CB C 101 30.950 31.769 -0.819 1
1 1101 . 4 1 1 A 101 101 GLU N N 101 128.535 126.225 2.310 1
1 1102 . 4 1 1 A 102 102 GLY H H 102 7.614 8.423 -0.809 1
1 1103 . 4 1 1 A 102 102 GLY HA2 H 102 3.853 3.988 -0.135 1
1 1104 . 4 1 1 A 102 102 GLY HA3 H 102 3.905 4.030 -0.125 1
1 1105 . 4 1 1 A 102 102 GLY CA C 102 44.440 44.678 -0.238 1
1 1106 . 4 1 1 A 102 102 GLY N N 102 108.953 111.201 -2.248 1
1 1107 . 4 1 1 A 103 103 ASP H H 103 8.261 8.492 -0.231 1
1 1108 . 4 1 1 A 103 103 ASP HA H 103 4.641 4.491 0.150 1
1 1111 . 4 1 1 A 103 103 ASP CA C 103 54.530 55.722 -1.192 1
1 1112 . 4 1 1 A 103 103 ASP CB C 103 41.690 40.792 0.898 1
1 1113 . 4 1 1 A 103 103 ASP N N 103 118.730 120.903 -2.173 1
1 1114 . 4 1 1 A 104 104 GLY H H 104 8.526 8.897 -0.371 1
1 1115 . 4 1 1 A 104 104 GLY HA2 H 104 3.719 3.964 -0.245 1
1 1116 . 4 1 1 A 104 104 GLY HA3 H 104 3.892 4.117 -0.225 1
1 1117 . 4 1 1 A 104 104 GLY CA C 104 45.960 46.225 -0.265 1
1 1118 . 4 1 1 A 104 104 GLY N N 104 109.230 114.078 -4.848 1
1 1119 . 4 1 1 A 105 105 ASP H H 105 7.806 7.977 -0.171 1
1 1120 . 4 1 1 A 105 105 ASP HA H 105 3.381 3.765 -0.384 1
1 1123 . 4 1 1 A 105 105 ASP CA C 105 51.020 50.244 0.776 1
1 1124 . 4 1 1 A 105 105 ASP CB C 105 41.406 40.643 0.763 1
1 1125 . 4 1 1 A 105 105 ASP N N 105 119.739 120.743 -1.004 1
1 1126 . 4 1 1 A 106 106 PRO HA H 106 4.065 4.141 -0.076 1
1 1133 . 4 1 1 A 106 106 PRO CA C 106 62.970 63.769 -0.799 1
1 1134 . 4 1 1 A 106 106 PRO CB C 106 31.660 31.750 -0.090 1
1 1137 . 4 1 1 A 107 107 GLY H H 107 7.863 7.050 0.813 1
1 1138 . 4 1 1 A 107 107 GLY HA2 H 107 3.401 3.991 -0.590 1
1 1139 . 4 1 1 A 107 107 GLY HA3 H 107 4.103 3.996 0.107 1
1 1140 . 4 1 1 A 107 107 GLY CA C 107 44.170 43.626 0.544 1
1 1141 . 4 1 1 A 107 107 GLY N N 107 109.610 108.556 1.054 1
1 1142 . 4 1 1 A 108 108 ASP H H 108 8.171 8.850 -0.679 1
1 1143 . 4 1 1 A 108 108 ASP HA H 108 4.283 4.585 -0.302 1
1 1145 . 4 1 1 A 108 108 ASP CA C 108 56.430 55.398 1.032 1
1 1146 . 4 1 1 A 108 108 ASP CB C 108 41.490 41.261 0.229 1
1 1147 . 4 1 1 A 108 108 ASP N N 108 119.264 123.629 -4.365 1
1 1148 . 4 1 1 A 109 109 SER H H 109 7.560 7.920 -0.360 1
1 1149 . 4 1 1 A 109 109 SER HA H 109 5.188 5.148 0.040 1
1 1152 . 4 1 1 A 109 109 SER CA C 109 56.740 56.993 -0.253 1
1 1153 . 4 1 1 A 109 109 SER CB C 109 65.780 66.745 -0.965 1
1 1154 . 4 1 1 A 109 109 SER N N 109 110.810 111.649 -0.839 1
1 1155 . 4 1 1 A 110 110 VAL H H 110 8.932 8.936 -0.004 1
1 1156 . 4 1 1 A 110 110 VAL HA H 110 4.262 4.530 -0.268 1
1 1164 . 4 1 1 A 110 110 VAL CA C 110 59.470 59.633 -0.163 1
1 1165 . 4 1 1 A 110 110 VAL CB C 110 35.400 35.510 -0.110 1
1 1168 . 4 1 1 A 110 110 VAL N N 110 118.530 119.864 -1.334 1
1 1169 . 4 1 1 A 111 111 GLN H H 111 8.468 8.609 -0.141 1
1 1170 . 4 1 1 A 111 111 GLN HA H 111 4.422 5.258 -0.836 1
1 1177 . 4 1 1 A 111 111 GLN CA C 111 55.960 54.285 1.675 1
1 1178 . 4 1 1 A 111 111 GLN CB C 111 29.470 30.691 -1.221 1
1 1180 . 4 1 1 A 111 111 GLN N N 111 127.378 124.355 3.023 1
1 1182 . 4 1 1 A 112 112 CYS H H 112 8.785 8.376 0.409 1
1 1183 . 4 1 1 A 112 112 CYS HA H 112 4.782 5.215 -0.433 1
1 1186 . 4 1 1 A 112 112 CYS CA C 112 57.100 57.478 -0.378 1
1 1187 . 4 1 1 A 112 112 CYS CB C 112 33.700 32.234 1.466 1
1 1188 . 4 1 1 A 112 112 CYS N N 112 122.300 123.143 -0.843 1
1 1189 . 4 1 1 A 113 113 PHE H H 113 8.838 8.382 0.456 1
1 1190 . 4 1 1 A 113 113 PHE HA H 113 5.154 5.166 -0.012 1
1 1197 . 4 1 1 A 113 113 PHE CA C 113 58.650 57.599 1.051 1
1 1198 . 4 1 1 A 113 113 PHE CB C 113 40.210 40.660 -0.450 1
1 1201 . 4 1 1 A 113 113 PHE N N 113 118.974 121.536 -2.562 1
1 1202 . 4 1 1 A 114 114 VAL H H 114 9.079 8.814 0.265 1
1 1203 . 4 1 1 A 114 114 VAL HA H 114 4.472 5.148 -0.676 1
1 1211 . 4 1 1 A 114 114 VAL CA C 114 60.650 60.584 0.066 1
1 1212 . 4 1 1 A 114 114 VAL CB C 114 35.970 36.175 -0.205 1
1 1215 . 4 1 1 A 114 114 VAL N N 114 121.660 120.487 1.173 1
1 1216 . 4 1 1 A 115 115 TYR H H 115 9.672 9.124 0.548 1
1 1217 . 4 1 1 A 115 115 TYR HA H 115 4.988 5.328 -0.340 1
1 1224 . 4 1 1 A 115 115 TYR CA C 115 59.240 56.746 2.494 1
1 1225 . 4 1 1 A 115 115 TYR CB C 115 36.925 39.423 -2.498 1
1 1228 . 4 1 1 A 115 115 TYR N N 115 127.830 123.269 4.561 1
1 1229 . 4 1 1 A 116 116 THR H H 116 9.061 8.840 0.221 1
1 1230 . 4 1 1 A 116 116 THR HA H 116 5.435 5.554 -0.119 1
1 1235 . 4 1 1 A 116 116 THR CA C 116 60.130 60.534 -0.404 1
1 1236 . 4 1 1 A 116 116 THR CB C 116 71.910 71.135 0.775 1
1 1238 . 4 1 1 A 116 116 THR N N 116 119.130 114.819 4.311 1
1 1239 . 4 1 1 A 117 117 THR H H 117 8.707 8.459 0.248 1
1 1240 . 4 1 1 A 117 117 THR HA H 117 5.561 5.237 0.324 1
1 1245 . 4 1 1 A 117 117 THR CA C 117 60.160 60.282 -0.122 1
1 1246 . 4 1 1 A 117 117 THR CB C 117 70.170 71.477 -1.307 1
1 1248 . 4 1 1 A 117 117 THR N N 117 111.190 115.017 -3.827 1
1 1249 . 4 1 1 A 118 118 ALA H H 118 9.257 8.626 0.631 1
1 1250 . 4 1 1 A 118 118 ALA HA H 118 5.033 4.801 0.232 1
1 1254 . 4 1 1 A 118 118 ALA CA C 118 51.550 52.942 -1.392 1
1 1255 . 4 1 1 A 118 118 ALA CB C 118 20.050 19.509 0.541 1
1 1256 . 4 1 1 A 118 118 ALA N N 118 132.010 129.479 2.531 1
1 1257 . 4 1 1 A 119 119 THR H H 119 8.628 7.369 1.259 1
1 1258 . 4 1 1 A 119 119 THR HA H 119 4.143 4.242 -0.099 1
1 1263 . 4 1 1 A 119 119 THR CA C 119 60.090 62.200 -2.110 1
1 1264 . 4 1 1 A 119 119 THR CB C 119 68.056 69.468 -1.412 1
1 1266 . 4 1 1 A 119 119 THR N N 119 114.350 107.552 6.798 1
1 1267 . 4 1 1 A 120 120 TYR H H 120 6.281 7.594 -1.313 1
1 1268 . 4 1 1 A 120 120 TYR HA H 120 3.594 4.247 -0.653 1
1 1273 . 4 1 1 A 120 120 TYR CA C 120 53.530 57.888 -4.358 1
1 1274 . 4 1 1 A 120 120 TYR CB C 120 40.072 39.161 0.911 1
1 1276 . 4 1 1 A 120 120 TYR N N 120 117.205 123.133 -5.928 1
1 1277 . 4 1 1 A 121 121 ALA HA H 121 5.030 4.129 0.901 1
1 1278 . 4 1 1 A 121 121 ALA CA C 121 51.536 50.378 1.158 1
1 1279 . 4 1 1 A 122 122 PRO HA H 122 4.059 4.419 -0.360 1
1 1285 . 4 1 1 A 122 122 PRO CA C 122 65.435 64.521 0.914 1
1 1286 . 4 1 1 A 122 122 PRO CB C 122 31.680 31.930 -0.250 1
1 1289 . 4 1 1 A 123 123 GLU H H 123 9.336 8.872 0.464 1
1 1290 . 4 1 1 A 123 123 GLU HA H 123 4.169 3.943 0.226 1
1 1294 . 4 1 1 A 123 123 GLU CA C 123 59.100 58.530 0.570 1
1 1295 . 4 1 1 A 123 123 GLU CB C 123 27.940 28.735 -0.795 1
1 1297 . 4 1 1 A 123 123 GLU N N 123 115.528 115.476 0.052 1
1 1298 . 4 1 1 A 124 124 TRP H H 124 8.560 7.624 0.936 1
1 1299 . 4 1 1 A 124 124 TRP HA H 124 4.671 4.467 0.204 1
1 1308 . 4 1 1 A 124 124 TRP CA C 124 57.370 58.940 -1.570 1
1 1309 . 4 1 1 A 124 124 TRP CB C 124 28.310 28.264 0.046 1
1 1315 . 4 1 1 A 124 124 TRP N N 124 123.431 119.239 4.192 1
1 1317 . 4 1 1 A 125 125 LEU H H 125 7.378 7.804 -0.426 1
1 1318 . 4 1 1 A 125 125 LEU HA H 125 4.065 4.296 -0.231 1
1 1328 . 4 1 1 A 125 125 LEU CA C 125 56.060 57.207 -1.147 1
1 1329 . 4 1 1 A 125 125 LEU CB C 125 41.220 41.871 -0.651 1
1 1333 . 4 1 1 A 125 125 LEU N N 125 113.660 120.092 -6.432 1
1 1334 . 4 1 1 A 126 126 PHE H H 126 7.415 7.369 0.046 1
1 1335 . 4 1 1 A 126 126 PHE HA H 126 4.640 4.625 0.015 1
1 1342 . 4 1 1 A 126 126 PHE CA C 126 56.940 57.222 -0.282 1
1 1343 . 4 1 1 A 126 126 PHE CB C 126 38.670 40.059 -1.389 1
1 1346 . 4 1 1 A 126 126 PHE N N 126 116.360 113.100 3.260 1
1 1347 . 4 1 1 A 127 127 LEU H H 127 7.168 7.060 0.108 1
1 1348 . 4 1 1 A 127 127 LEU HA H 127 4.529 4.347 0.182 1
1 1358 . 4 1 1 A 127 127 LEU CA C 127 53.580 53.636 -0.056 1
1 1359 . 4 1 1 A 127 127 LEU CB C 127 40.832 41.115 -0.283 1
1 1363 . 4 1 1 A 127 127 LEU N N 127 122.990 124.386 -1.396 1
1 1364 . 4 1 1 A 128 128 PRO HA H 128 3.986 4.376 -0.390 1
1 1371 . 4 1 1 A 128 128 PRO CA C 128 63.140 62.217 0.923 1
1 1372 . 4 1 1 A 128 128 PRO CB C 128 31.993 32.217 -0.224 1
1 1375 . 4 1 1 A 129 129 TYR H H 129 8.070 8.243 -0.173 1
1 1376 . 4 1 1 A 129 129 TYR HA H 129 5.529 5.209 0.320 1
1 1383 . 4 1 1 A 129 129 TYR CA C 129 52.486 57.662 -5.176 1
1 1384 . 4 1 1 A 129 129 TYR CB C 129 36.760 40.157 -3.397 1
1 1387 . 4 1 1 A 129 129 TYR N N 129 120.100 120.932 -0.832 1
1 1388 . 4 1 1 A 130 130 HIS H H 130 9.193 8.941 0.252 1
1 1389 . 4 1 1 A 130 130 HIS HA H 130 4.733 5.078 -0.345 1
1 1393 . 4 1 1 A 130 130 HIS CA C 130 55.920 54.928 0.992 1
1 1394 . 4 1 1 A 130 130 HIS CB C 130 32.908 34.265 -1.357 1
1 1396 . 4 1 1 A 130 130 HIS N N 130 121.985 118.803 3.182 1
1 1397 . 4 1 1 A 131 131 GLU H H 131 9.093 9.074 0.019 1
1 1398 . 4 1 1 A 131 131 GLU HA H 131 4.277 4.661 -0.384 1
1 1402 . 4 1 1 A 131 131 GLU CA C 131 58.110 56.891 1.219 1
1 1403 . 4 1 1 A 131 131 GLU CB C 131 30.700 30.722 -0.022 1
1 1405 . 4 1 1 A 131 131 GLU N N 131 122.150 119.752 2.398 1
1 1406 . 4 1 1 A 132 132 SER H H 132 7.621 7.939 -0.318 1
1 1407 . 4 1 1 A 132 132 SER HA H 132 4.686 4.829 -0.143 1
1 1410 . 4 1 1 A 132 132 SER CA C 132 56.340 57.362 -1.022 1
1 1411 . 4 1 1 A 132 132 SER CB C 132 65.050 65.069 -0.019 1
1 1412 . 4 1 1 A 132 132 SER N N 132 108.030 113.086 -5.056 1
1 1413 . 4 1 1 A 133 133 TYR H H 133 8.667 8.838 -0.171 1
1 1414 . 4 1 1 A 133 133 TYR HA H 133 4.564 5.102 -0.538 1
1 1419 . 4 1 1 A 133 133 TYR CA C 133 57.910 56.968 0.942 1
1 1420 . 4 1 1 A 133 133 TYR CB C 133 40.720 40.504 0.216 1
1 1422 . 4 1 1 A 133 133 TYR N N 133 121.977 125.517 -3.540 1
1 1423 . 4 1 1 A 134 134 ASP H H 134 7.303 8.777 -1.474 1
1 1424 . 4 1 1 A 134 134 ASP HA H 134 3.944 4.847 -0.903 1
1 1427 . 4 1 1 A 134 134 ASP CA C 134 52.540 54.060 -1.520 1
1 1428 . 4 1 1 A 134 134 ASP CB C 134 42.900 43.325 -0.425 1
1 1429 . 4 1 1 A 134 134 ASP N N 134 127.820 127.591 0.229 1
1 1430 . 4 1 1 A 135 135 SER H H 135 9.392 8.971 0.421 1
1 1431 . 4 1 1 A 135 135 SER HA H 135 3.945 4.251 -0.306 1
1 1434 . 4 1 1 A 135 135 SER CA C 135 61.770 61.092 0.678 1
1 1435 . 4 1 1 A 135 135 SER CB C 135 63.561 62.850 0.711 1
1 1436 . 4 1 1 A 135 135 SER N N 135 127.670 119.773 7.897 1
1 1437 . 4 1 1 A 136 136 GLU H H 136 7.546 7.885 -0.339 1
1 1438 . 4 1 1 A 136 136 GLU HA H 136 4.233 4.493 -0.260 1
1 1443 . 4 1 1 A 136 136 GLU CA C 136 54.796 56.069 -1.273 1
1 1444 . 4 1 1 A 136 136 GLU CB C 136 28.420 28.393 0.027 1
1 1446 . 4 1 1 A 136 136 GLU N N 136 113.107 117.964 -4.857 1
1 1447 . 4 1 1 A 137 137 GLY H H 137 7.241 8.256 -1.015 1
1 1448 . 4 1 1 A 137 137 GLY HA2 H 137 3.994 4.162 -0.168 1
1 1449 . 4 1 1 A 137 137 GLY HA3 H 137 3.503 4.201 -0.698 1
1 1450 . 4 1 1 A 137 137 GLY CA C 137 44.880 44.677 0.203 1
1 1451 . 4 1 1 A 137 137 GLY N N 137 104.690 109.254 -4.564 1
1 1452 . 4 1 1 A 138 138 PRO HA H 138 4.211 4.419 -0.208 1
1 1459 . 4 1 1 A 138 138 PRO CA C 138 64.830 63.746 1.084 1
1 1460 . 4 1 1 A 138 138 PRO CB C 138 31.180 31.951 -0.771 1
1 1463 . 4 1 1 A 139 139 HIS H H 139 6.414 7.761 -1.347 1
1 1464 . 4 1 1 A 139 139 HIS HA H 139 4.299 4.872 -0.573 1
1 1467 . 4 1 1 A 139 139 HIS CA C 139 55.080 53.960 1.120 1
1 1468 . 4 1 1 A 139 139 HIS CB C 139 30.260 30.042 0.218 1
1 1470 . 4 1 1 A 139 139 HIS N N 139 116.498 117.890 -1.392 1
1 1471 . 4 1 1 A 140 140 GLY H H 140 7.082 8.848 -1.766 1
1 1472 . 4 1 1 A 140 140 GLY HA2 H 140 3.919 3.769 0.150 1
1 1473 . 4 1 1 A 140 140 GLY HA3 H 140 3.721 3.782 -0.061 1
1 1474 . 4 1 1 A 140 140 GLY CA C 140 46.590 47.087 -0.497 1
1 1475 . 4 1 1 A 140 140 GLY N N 140 108.485 111.026 -2.541 1
1 1476 . 4 1 1 A 141 141 LEU HA H 141 4.451 4.729 -0.278 1
1 1483 . 4 1 1 A 141 141 LEU CA C 141 53.024 53.400 -0.376 1
1 1484 . 4 1 1 A 141 141 LEU CB C 141 39.500 41.883 -2.383 1
1 1487 . 4 1 1 A 142 142 ARG H H 142 7.472 8.396 -0.924 1
1 1488 . 4 1 1 A 142 142 ARG HA H 142 4.724 4.744 -0.020 1
1 1493 . 4 1 1 A 142 142 ARG CA C 142 55.940 56.213 -0.273 1
1 1494 . 4 1 1 A 142 142 ARG CB C 142 31.070 32.913 -1.843 1
1 1497 . 4 1 1 A 142 142 ARG N N 142 121.987 119.655 2.332 1
1 1499 . 4 1 1 A 143 143 TYR H H 143 8.487 7.674 0.813 1
1 1500 . 4 1 1 A 143 143 TYR HA H 143 4.474 4.962 -0.488 1
1 1507 . 4 1 1 A 143 143 TYR CA C 143 59.015 58.371 0.644 1
1 1508 . 4 1 1 A 143 143 TYR CB C 143 38.720 41.580 -2.860 1
1 1511 . 4 1 1 A 143 143 TYR N N 143 127.896 118.658 9.238 1
1 1512 . 4 1 1 A 144 144 ASN H H 144 7.805 8.477 -0.672 1
1 1513 . 4 1 1 A 144 144 ASN HA H 144 4.892 5.397 -0.505 1
1 1518 . 4 1 1 A 144 144 ASN CA C 144 50.120 50.443 -0.323 1
1 1519 . 4 1 1 A 144 144 ASN CB C 144 39.360 39.315 0.045 1
1 1520 . 4 1 1 A 144 144 ASN N N 144 125.629 125.387 0.242 1
1 1522 . 4 1 1 A 145 145 PRO HA H 145 3.975 4.241 -0.266 1
1 1528 . 4 1 1 A 145 145 PRO CA C 145 63.140 64.426 -1.286 1
1 1529 . 4 1 1 A 145 145 PRO CB C 145 32.386 32.106 0.280 1
1 1532 . 4 1 1 A 146 146 ARG H H 146 8.055 7.830 0.225 1
1 1533 . 4 1 1 A 146 146 ARG HA H 146 3.918 4.539 -0.621 1
1 1541 . 4 1 1 A 146 146 ARG CA C 146 56.740 55.192 1.548 1
1 1542 . 4 1 1 A 146 146 ARG CB C 146 30.430 30.532 -0.102 1
1 1545 . 4 1 1 A 146 146 ARG N N 146 120.069 118.702 1.367 1
1 1547 . 4 1 1 A 147 147 GLU H H 147 8.440 8.555 -0.115 1
1 1548 . 4 1 1 A 147 147 GLU HA H 147 4.167 4.252 -0.085 1
1 1552 . 4 1 1 A 147 147 GLU CA C 147 56.710 58.584 -1.874 1
1 1553 . 4 1 1 A 147 147 GLU CB C 147 30.150 30.421 -0.271 1
1 1555 . 4 1 1 A 147 147 GLU N N 147 120.760 124.636 -3.876 1
1 1556 . 4 1 1 A 148 148 ASN H H 148 8.363 8.018 0.345 1
1 1557 . 4 1 1 A 148 148 ASN HA H 148 4.652 4.912 -0.260 1
1 1562 . 4 1 1 A 148 148 ASN CA C 148 53.240 52.338 0.902 1
1 1563 . 4 1 1 A 148 148 ASN CB C 148 38.840 39.495 -0.655 1
1 1564 . 4 1 1 A 148 148 ASN N N 148 120.210 114.910 5.300 1
1 1 . 5 1 1 A 2 2 ALA HA H 2 4.182 5.066 -0.884 1
1 5 . 5 1 1 A 2 2 ALA CA C 2 51.510 50.515 0.995 1
1 6 . 5 1 1 A 2 2 ALA CB C 2 20.090 20.407 -0.317 1
1 7 . 5 1 1 A 3 3 HIS H H 3 9.173 9.155 0.018 1
1 8 . 5 1 1 A 3 3 HIS HA H 3 5.839 5.183 0.656 1
1 12 . 5 1 1 A 3 3 HIS CA C 3 56.960 55.966 0.994 1
1 13 . 5 1 1 A 3 3 HIS CB C 3 32.820 31.043 1.777 1
1 15 . 5 1 1 A 3 3 HIS N N 3 118.801 122.231 -3.430 1
1 16 . 5 1 1 A 4 4 ILE H H 4 9.494 9.185 0.309 1
1 17 . 5 1 1 A 4 4 ILE HA H 4 5.508 5.316 0.192 1
1 27 . 5 1 1 A 4 4 ILE CA C 4 58.300 59.248 -0.948 1
1 28 . 5 1 1 A 4 4 ILE CB C 4 41.930 42.249 -0.319 1
1 32 . 5 1 1 A 4 4 ILE N N 4 118.202 118.842 -0.640 1
1 33 . 5 1 1 A 5 5 PHE H H 5 8.815 8.718 0.097 1
1 34 . 5 1 1 A 5 5 PHE HA H 5 5.789 5.043 0.746 1
1 42 . 5 1 1 A 5 5 PHE CA C 5 55.153 56.457 -1.304 1
1 43 . 5 1 1 A 5 5 PHE CB C 5 40.740 41.144 -0.404 1
1 47 . 5 1 1 A 5 5 PHE N N 5 126.107 124.122 1.985 1
1 48 . 5 1 1 A 6 6 VAL H H 6 9.078 7.843 1.235 1
1 49 . 5 1 1 A 6 6 VAL HA H 6 4.357 4.969 -0.612 1
1 57 . 5 1 1 A 6 6 VAL CA C 6 59.157 60.026 -0.869 1
1 58 . 5 1 1 A 6 6 VAL CB C 6 33.473 35.470 -1.997 1
1 61 . 5 1 1 A 6 6 VAL N N 6 118.658 119.407 -0.749 1
1 62 . 5 1 1 A 7 7 TYR H H 7 6.878 8.908 -2.030 1
1 63 . 5 1 1 A 7 7 TYR HA H 7 4.170 4.354 -0.184 1
1 66 . 5 1 1 A 7 7 TYR CB C 7 36.608 38.610 -2.002 1
1 67 . 5 1 1 A 7 7 TYR N N 7 116.860 127.207 -10.347 1
1 68 . 5 1 1 A 8 8 GLY HA2 H 8 4.195 3.945 0.250 1
1 69 . 5 1 1 A 8 8 GLY HA3 H 8 2.933 3.956 -1.023 1
1 70 . 5 1 1 A 8 8 GLY CA C 8 46.169 45.460 0.709 1
1 71 . 5 1 1 A 9 9 THR H H 9 7.618 8.011 -0.393 1
1 72 . 5 1 1 A 9 9 THR HA H 9 3.831 3.851 -0.020 1
1 77 . 5 1 1 A 9 9 THR CA C 9 64.570 65.221 -0.651 1
1 78 . 5 1 1 A 9 9 THR CB C 9 68.494 68.085 0.409 1
1 80 . 5 1 1 A 9 9 THR N N 9 115.934 114.144 1.790 1
1 81 . 5 1 1 A 10 10 LEU H H 10 7.561 8.000 -0.439 1
1 82 . 5 1 1 A 10 10 LEU HA H 10 3.673 4.157 -0.484 1
1 92 . 5 1 1 A 10 10 LEU CA C 10 55.950 54.134 1.816 1
1 93 . 5 1 1 A 10 10 LEU CB C 10 41.610 38.971 2.639 1
1 97 . 5 1 1 A 10 10 LEU N N 10 120.151 121.956 -1.805 1
1 98 . 5 1 1 A 11 11 LYS H H 11 6.738 8.496 -1.758 1
1 99 . 5 1 1 A 11 11 LYS HA H 11 4.007 4.669 -0.662 1
1 103 . 5 1 1 A 11 11 LYS CA C 11 57.390 57.786 -0.396 1
1 104 . 5 1 1 A 11 11 LYS CB C 11 34.322 34.636 -0.314 1
1 106 . 5 1 1 A 11 11 LYS N N 11 116.295 121.419 -5.124 1
1 107 . 5 1 1 A 12 12 ARG H H 12 9.432 7.890 1.542 1
1 108 . 5 1 1 A 12 12 ARG HA H 12 2.029 4.163 -2.134 1
1 115 . 5 1 1 A 12 12 ARG CA C 12 58.420 58.675 -0.255 1
1 116 . 5 1 1 A 12 12 ARG CB C 12 29.190 31.277 -2.087 1
1 119 . 5 1 1 A 12 12 ARG N N 12 120.863 119.376 1.487 1
1 120 . 5 1 1 A 13 13 GLY H H 13 8.048 7.455 0.593 1
1 121 . 5 1 1 A 13 13 GLY HA2 H 13 3.990 4.065 -0.075 1
1 122 . 5 1 1 A 13 13 GLY HA3 H 13 3.538 4.075 -0.537 1
1 123 . 5 1 1 A 13 13 GLY CA C 13 45.490 45.554 -0.064 1
1 124 . 5 1 1 A 13 13 GLY N N 13 111.120 106.654 4.466 1
1 125 . 5 1 1 A 14 14 GLN H H 14 7.904 7.580 0.324 1
1 126 . 5 1 1 A 14 14 GLN HA H 14 4.682 4.365 0.317 1
1 133 . 5 1 1 A 14 14 GLN CA C 14 53.440 54.634 -1.194 1
1 134 . 5 1 1 A 14 14 GLN CB C 14 27.115 28.414 -1.299 1
1 136 . 5 1 1 A 14 14 GLN N N 14 117.811 120.519 -2.708 1
1 138 . 5 1 1 A 15 15 PRO HA H 15 4.342 4.382 -0.040 1
1 145 . 5 1 1 A 15 15 PRO CA C 15 66.870 64.561 2.309 1
1 146 . 5 1 1 A 15 15 PRO CB C 15 34.060 31.931 2.129 1
1 149 . 5 1 1 A 16 16 ASN H H 16 8.287 8.515 -0.228 1
1 150 . 5 1 1 A 16 16 ASN HA H 16 5.356 4.713 0.643 1
1 155 . 5 1 1 A 16 16 ASN CA C 16 52.230 54.233 -2.003 1
1 156 . 5 1 1 A 16 16 ASN CB C 16 39.030 39.101 -0.071 1
1 157 . 5 1 1 A 16 16 ASN N N 16 110.638 115.832 -5.194 1
1 159 . 5 1 1 A 17 17 HIS H H 17 7.819 7.978 -0.159 1
1 160 . 5 1 1 A 17 17 HIS HA H 17 3.815 4.034 -0.219 1
1 164 . 5 1 1 A 17 17 HIS CA C 17 60.140 60.152 -0.012 1
1 165 . 5 1 1 A 17 17 HIS CB C 17 27.680 29.849 -2.169 1
1 167 . 5 1 1 A 17 17 HIS N N 17 121.058 120.792 0.266 1
1 168 . 5 1 1 A 18 18 LYS H H 18 8.326 8.159 0.167 1
1 169 . 5 1 1 A 18 18 LYS HA H 18 3.695 4.049 -0.354 1
1 175 . 5 1 1 A 18 18 LYS CA C 18 58.890 58.829 0.061 1
1 176 . 5 1 1 A 18 18 LYS CB C 18 31.070 31.448 -0.378 1
1 180 . 5 1 1 A 18 18 LYS N N 18 112.812 117.368 -4.556 1
1 181 . 5 1 1 A 19 19 VAL H H 19 7.373 7.631 -0.258 1
1 182 . 5 1 1 A 19 19 VAL HA H 19 3.816 3.695 0.121 1
1 190 . 5 1 1 A 19 19 VAL CA C 19 64.960 65.172 -0.212 1
1 191 . 5 1 1 A 19 19 VAL CB C 19 30.960 31.354 -0.394 1
1 194 . 5 1 1 A 19 19 VAL N N 19 117.691 116.596 1.095 1
1 195 . 5 1 1 A 20 20 MET H H 20 7.329 7.843 -0.514 1
1 196 . 5 1 1 A 20 20 MET HA H 20 3.951 4.143 -0.192 1
1 204 . 5 1 1 A 20 20 MET CA C 20 55.560 57.362 -1.802 1
1 205 . 5 1 1 A 20 20 MET CB C 20 31.460 31.755 -0.295 1
1 208 . 5 1 1 A 20 20 MET N N 20 114.870 119.307 -4.437 1
1 209 . 5 1 1 A 21 21 LEU H H 21 6.718 7.570 -0.852 1
1 210 . 5 1 1 A 21 21 LEU HA H 21 4.091 4.294 -0.203 1
1 220 . 5 1 1 A 21 21 LEU CA C 21 54.140 55.195 -1.055 1
1 221 . 5 1 1 A 21 21 LEU CB C 21 42.310 41.900 0.410 1
1 225 . 5 1 1 A 21 21 LEU N N 21 116.021 117.653 -1.632 1
1 226 . 5 1 1 A 22 22 ASP H H 22 6.399 7.197 -0.798 1
1 227 . 5 1 1 A 22 22 ASP HA H 22 4.288 4.737 -0.449 1
1 229 . 5 1 1 A 22 22 ASP CA C 22 52.776 53.279 -0.503 1
1 230 . 5 1 1 A 22 22 ASP CB C 22 40.180 40.293 -0.113 1
1 231 . 5 1 1 A 22 22 ASP N N 22 117.972 120.369 -2.397 1
1 232 . 5 1 1 A 23 23 HIS H H 23 8.601 8.703 -0.102 1
1 233 . 5 1 1 A 23 23 HIS HA H 23 4.848 4.202 0.646 1
1 237 . 5 1 1 A 23 23 HIS CA C 23 55.800 59.228 -3.428 1
1 238 . 5 1 1 A 23 23 HIS CB C 23 27.860 30.026 -2.166 1
1 240 . 5 1 1 A 23 23 HIS N N 23 123.395 126.218 -2.823 1
1 241 . 5 1 1 A 24 24 SER H H 24 8.526 8.074 0.452 1
1 242 . 5 1 1 A 24 24 SER HA H 24 4.105 3.755 0.350 1
1 244 . 5 1 1 A 24 24 SER CA C 24 60.870 61.601 -0.731 1
1 245 . 5 1 1 A 24 24 SER CB C 24 62.510 62.896 -0.386 1
1 246 . 5 1 1 A 24 24 SER N N 24 117.035 113.579 3.456 1
1 247 . 5 1 1 A 25 25 HIS H H 25 7.450 7.353 0.097 1
1 248 . 5 1 1 A 25 25 HIS HA H 25 4.494 4.213 0.281 1
1 252 . 5 1 1 A 25 25 HIS CA C 25 53.900 57.504 -3.604 1
1 253 . 5 1 1 A 25 25 HIS CB C 25 28.320 29.392 -1.072 1
1 255 . 5 1 1 A 25 25 HIS N N 25 117.560 117.150 0.410 1
1 256 . 5 1 1 A 26 26 GLY H H 26 6.926 6.752 0.174 1
1 257 . 5 1 1 A 26 26 GLY HA2 H 26 3.587 3.857 -0.270 1
1 258 . 5 1 1 A 26 26 GLY HA3 H 26 4.362 3.947 0.415 1
1 259 . 5 1 1 A 26 26 GLY CA C 26 43.730 44.630 -0.900 1
1 260 . 5 1 1 A 26 26 GLY N N 26 103.120 105.522 -2.402 1
1 261 . 5 1 1 A 27 27 LEU H H 27 8.579 8.422 0.157 1
1 262 . 5 1 1 A 27 27 LEU HA H 27 4.327 4.812 -0.485 1
1 271 . 5 1 1 A 27 27 LEU CA C 27 54.520 54.740 -0.220 1
1 272 . 5 1 1 A 27 27 LEU CB C 27 44.250 43.195 1.055 1
1 276 . 5 1 1 A 27 27 LEU N N 27 121.940 121.481 0.459 1
1 277 . 5 1 1 A 28 28 ALA H H 28 7.776 8.635 -0.859 1
1 278 . 5 1 1 A 28 28 ALA HA H 28 5.231 5.420 -0.189 1
1 282 . 5 1 1 A 28 28 ALA CA C 28 50.990 51.059 -0.069 1
1 283 . 5 1 1 A 28 28 ALA CB C 28 22.580 23.378 -0.798 1
1 284 . 5 1 1 A 28 28 ALA N N 28 123.020 128.113 -5.093 1
1 285 . 5 1 1 A 29 29 ALA H H 29 9.231 8.618 0.613 1
1 286 . 5 1 1 A 29 29 ALA HA H 29 4.857 5.234 -0.377 1
1 290 . 5 1 1 A 29 29 ALA CA C 29 50.661 51.114 -0.453 1
1 291 . 5 1 1 A 29 29 ALA CB C 29 21.140 22.883 -1.743 1
1 292 . 5 1 1 A 29 29 ALA N N 29 125.760 121.083 4.677 1
1 293 . 5 1 1 A 30 30 PHE H H 30 9.083 9.233 -0.150 1
1 294 . 5 1 1 A 30 30 PHE HA H 30 3.397 4.519 -1.122 1
1 301 . 5 1 1 A 30 30 PHE CA C 30 59.895 56.899 2.996 1
1 302 . 5 1 1 A 30 30 PHE CB C 30 38.810 38.862 -0.052 1
1 305 . 5 1 1 A 30 30 PHE N N 30 126.590 125.558 1.032 1
1 306 . 5 1 1 A 31 31 ARG H H 31 8.102 8.474 -0.372 1
1 307 . 5 1 1 A 31 31 ARG HA H 31 3.941 3.915 0.026 1
1 314 . 5 1 1 A 31 31 ARG CA C 31 53.120 54.534 -1.414 1
1 315 . 5 1 1 A 31 31 ARG CB C 31 31.665 28.366 3.299 1
1 318 . 5 1 1 A 31 31 ARG N N 31 125.007 128.248 -3.241 1
1 320 . 5 1 1 A 32 32 GLY H H 32 5.465 7.152 -1.687 1
1 321 . 5 1 1 A 32 32 GLY HA2 H 32 3.264 3.248 0.016 1
1 322 . 5 1 1 A 32 32 GLY HA3 H 32 4.670 3.710 0.960 1
1 323 . 5 1 1 A 32 32 GLY CA C 32 45.150 44.460 0.690 1
1 324 . 5 1 1 A 32 32 GLY N N 32 101.400 110.084 -8.684 1
1 325 . 5 1 1 A 33 33 ARG H H 33 8.345 8.378 -0.033 1
1 326 . 5 1 1 A 33 33 ARG HA H 33 5.158 5.209 -0.051 1
1 332 . 5 1 1 A 33 33 ARG CA C 33 54.924 54.099 0.825 1
1 333 . 5 1 1 A 33 33 ARG CB C 33 34.180 34.731 -0.551 1
1 336 . 5 1 1 A 33 33 ARG N N 33 116.822 117.808 -0.986 1
1 338 . 5 1 1 A 34 34 GLY H H 34 8.549 8.161 0.388 1
1 339 . 5 1 1 A 34 34 GLY HA2 H 34 5.154 4.372 0.782 1
1 340 . 5 1 1 A 34 34 GLY HA3 H 34 3.752 4.462 -0.710 1
1 341 . 5 1 1 A 34 34 GLY CA C 34 45.620 45.930 -0.310 1
1 342 . 5 1 1 A 34 34 GLY N N 34 107.400 105.950 1.450 1
1 343 . 5 1 1 A 35 35 CYS H H 35 8.803 8.277 0.526 1
1 344 . 5 1 1 A 35 35 CYS HA H 35 5.893 5.668 0.225 1
1 347 . 5 1 1 A 35 35 CYS CA C 35 55.420 57.381 -1.961 1
1 348 . 5 1 1 A 35 35 CYS CB C 35 30.960 31.119 -0.159 1
1 349 . 5 1 1 A 35 35 CYS N N 35 117.781 117.635 0.146 1
1 350 . 5 1 1 A 36 36 THR H H 36 9.033 9.043 -0.010 1
1 351 . 5 1 1 A 36 36 THR HA H 36 3.835 4.572 -0.737 1
1 356 . 5 1 1 A 36 36 THR CA C 36 64.160 61.205 2.955 1
1 357 . 5 1 1 A 36 36 THR CB C 36 68.200 68.460 -0.260 1
1 359 . 5 1 1 A 36 36 THR N N 36 117.973 114.458 3.515 1
1 360 . 5 1 1 A 37 37 VAL H H 37 7.545 7.907 -0.362 1
1 361 . 5 1 1 A 37 37 VAL HA H 37 3.709 3.818 -0.109 1
1 369 . 5 1 1 A 37 37 VAL CA C 37 65.740 65.173 0.567 1
1 370 . 5 1 1 A 37 37 VAL CB C 37 32.410 31.429 0.981 1
1 373 . 5 1 1 A 37 37 VAL N N 37 121.706 122.580 -0.874 1
1 374 . 5 1 1 A 38 38 GLU H H 38 8.540 7.820 0.720 1
1 375 . 5 1 1 A 38 38 GLU HA H 38 4.264 4.257 0.007 1
1 380 . 5 1 1 A 38 38 GLU CA C 38 54.260 56.434 -2.174 1
1 381 . 5 1 1 A 38 38 GLU CB C 38 30.770 30.229 0.541 1
1 383 . 5 1 1 A 38 38 GLU N N 38 119.219 123.536 -4.317 1
1 384 . 5 1 1 A 39 39 SER H H 39 8.692 8.269 0.423 1
1 385 . 5 1 1 A 39 39 SER HA H 39 4.035 4.527 -0.492 1
1 388 . 5 1 1 A 39 39 SER CA C 39 57.370 59.692 -2.322 1
1 389 . 5 1 1 A 39 39 SER CB C 39 63.760 63.803 -0.043 1
1 390 . 5 1 1 A 39 39 SER N N 39 118.941 119.978 -1.037 1
1 391 . 5 1 1 A 40 40 PHE H H 40 8.302 8.705 -0.403 1
1 392 . 5 1 1 A 40 40 PHE HA H 40 4.986 4.906 0.080 1
1 400 . 5 1 1 A 40 40 PHE CA C 40 57.320 55.644 1.676 1
1 401 . 5 1 1 A 40 40 PHE CB C 40 44.292 42.372 1.920 1
1 405 . 5 1 1 A 40 40 PHE N N 40 119.300 122.447 -3.147 1
1 406 . 5 1 1 A 41 41 PRO HA H 41 3.828 4.488 -0.660 1
1 413 . 5 1 1 A 41 41 PRO CA C 41 62.270 62.099 0.171 1
1 414 . 5 1 1 A 41 41 PRO CB C 41 30.790 31.051 -0.261 1
1 417 . 5 1 1 A 42 42 LEU H H 42 7.964 8.660 -0.696 1
1 418 . 5 1 1 A 42 42 LEU HA H 42 5.352 4.871 0.481 1
1 427 . 5 1 1 A 42 42 LEU CA C 42 53.830 53.507 0.323 1
1 428 . 5 1 1 A 42 42 LEU CB C 42 42.380 42.584 -0.204 1
1 431 . 5 1 1 A 42 42 LEU N N 42 129.948 124.041 5.907 1
1 432 . 5 1 1 A 43 43 VAL H H 43 8.607 8.646 -0.039 1
1 433 . 5 1 1 A 43 43 VAL HA H 43 5.296 4.744 0.552 1
1 441 . 5 1 1 A 43 43 VAL CA C 43 58.040 62.146 -4.106 1
1 442 . 5 1 1 A 43 43 VAL CB C 43 35.220 32.474 2.746 1
1 445 . 5 1 1 A 43 43 VAL N N 43 117.190 126.110 -8.920 1
1 446 . 5 1 1 A 44 44 ILE H H 44 9.056 8.507 0.549 1
1 447 . 5 1 1 A 44 44 ILE HA H 44 4.426 5.016 -0.590 1
1 457 . 5 1 1 A 44 44 ILE CA C 44 61.156 60.305 0.851 1
1 458 . 5 1 1 A 44 44 ILE CB C 44 38.544 40.330 -1.786 1
1 462 . 5 1 1 A 44 44 ILE N N 44 122.963 124.650 -1.687 1
1 463 . 5 1 1 A 45 45 ALA H H 45 8.701 8.473 0.228 1
1 464 . 5 1 1 A 45 45 ALA HA H 45 4.626 4.638 -0.012 1
1 468 . 5 1 1 A 45 45 ALA CA C 45 51.430 50.875 0.555 1
1 469 . 5 1 1 A 45 45 ALA CB C 45 21.670 20.894 0.776 1
1 470 . 5 1 1 A 45 45 ALA N N 45 126.347 127.501 -1.154 1
1 471 . 5 1 1 A 46 46 GLY H H 46 8.486 8.758 -0.272 1
1 472 . 5 1 1 A 46 46 GLY HA2 H 46 4.587 4.236 0.351 1
1 473 . 5 1 1 A 46 46 GLY HA3 H 46 4.084 4.301 -0.217 1
1 474 . 5 1 1 A 46 46 GLY CA C 46 44.500 45.165 -0.665 1
1 475 . 5 1 1 A 46 46 GLY N N 46 108.262 106.718 1.544 1
1 476 . 5 1 1 A 47 47 GLU H H 47 8.938 8.945 -0.007 1
1 477 . 5 1 1 A 47 47 GLU HA H 47 4.003 4.314 -0.311 1
1 480 . 5 1 1 A 47 47 GLU CA C 47 58.820 57.922 0.898 1
1 481 . 5 1 1 A 47 47 GLU CB C 47 29.500 29.985 -0.485 1
1 482 . 5 1 1 A 47 47 GLU N N 47 118.010 121.449 -3.439 1
1 483 . 5 1 1 A 48 48 HIS H H 48 8.742 7.915 0.827 1
1 484 . 5 1 1 A 48 48 HIS HA H 48 4.704 4.856 -0.152 1
1 488 . 5 1 1 A 48 48 HIS CA C 48 55.130 55.117 0.013 1
1 489 . 5 1 1 A 48 48 HIS CB C 48 29.110 29.659 -0.549 1
1 491 . 5 1 1 A 48 48 HIS N N 48 115.306 114.772 0.534 1
1 492 . 5 1 1 A 49 49 ASN H H 49 7.810 7.647 0.163 1
1 493 . 5 1 1 A 49 49 ASN HA H 49 3.878 4.149 -0.271 1
1 498 . 5 1 1 A 49 49 ASN CA C 49 53.876 54.173 -0.297 1
1 499 . 5 1 1 A 49 49 ASN CB C 49 36.030 37.010 -0.980 1
1 500 . 5 1 1 A 49 49 ASN N N 49 114.919 114.032 0.887 1
1 502 . 5 1 1 A 50 50 ILE H H 50 7.046 8.056 -1.010 1
1 503 . 5 1 1 A 50 50 ILE HA H 50 4.022 4.400 -0.378 1
1 513 . 5 1 1 A 50 50 ILE CA C 50 59.430 58.054 1.376 1
1 514 . 5 1 1 A 50 50 ILE CB C 50 41.326 38.082 3.244 1
1 518 . 5 1 1 A 50 50 ILE N N 50 120.995 120.079 0.916 1
1 519 . 5 1 1 A 51 51 PRO HA H 51 5.194 4.674 0.520 1
1 521 . 5 1 1 A 51 51 PRO CA C 51 60.560 62.502 -1.942 1
1 522 . 5 1 1 A 51 51 PRO CB C 51 31.841 31.707 0.134 1
1 523 . 5 1 1 A 52 52 TRP H H 52 9.564 8.766 0.798 1
1 524 . 5 1 1 A 52 52 TRP HA H 52 4.805 5.262 -0.457 1
1 532 . 5 1 1 A 52 52 TRP CA C 52 56.550 56.311 0.239 1
1 533 . 5 1 1 A 52 52 TRP CB C 52 32.300 30.966 1.334 1
1 539 . 5 1 1 A 52 52 TRP N N 52 123.070 124.189 -1.119 1
1 541 . 5 1 1 A 53 53 LEU H H 53 7.227 9.411 -2.184 1
1 542 . 5 1 1 A 53 53 LEU HA H 53 4.863 4.744 0.119 1
1 552 . 5 1 1 A 53 53 LEU CA C 53 53.790 54.578 -0.788 1
1 553 . 5 1 1 A 53 53 LEU CB C 53 42.250 42.313 -0.063 1
1 557 . 5 1 1 A 53 53 LEU N N 53 124.700 127.033 -2.333 1
1 558 . 5 1 1 A 54 54 LEU H H 54 9.021 8.256 0.765 1
1 559 . 5 1 1 A 54 54 LEU HA H 54 4.618 4.361 0.257 1
1 569 . 5 1 1 A 54 54 LEU CA C 54 54.030 55.750 -1.720 1
1 570 . 5 1 1 A 54 54 LEU CB C 54 40.360 41.437 -1.077 1
1 574 . 5 1 1 A 54 54 LEU N N 54 126.893 128.556 -1.663 1
1 575 . 5 1 1 A 55 55 TYR H H 55 8.884 8.942 -0.058 1
1 576 . 5 1 1 A 55 55 TYR HA H 55 4.562 4.889 -0.327 1
1 583 . 5 1 1 A 55 55 TYR CA C 55 58.420 56.870 1.550 1
1 584 . 5 1 1 A 55 55 TYR CB C 55 36.180 38.003 -1.823 1
1 587 . 5 1 1 A 55 55 TYR N N 55 123.430 126.433 -3.003 1
1 588 . 5 1 1 A 56 56 LEU H H 56 8.192 8.701 -0.509 1
1 589 . 5 1 1 A 56 56 LEU HA H 56 4.530 4.744 -0.214 1
1 598 . 5 1 1 A 56 56 LEU CA C 56 51.720 51.626 0.094 1
1 599 . 5 1 1 A 56 56 LEU CB C 56 43.260 43.394 -0.134 1
1 602 . 5 1 1 A 56 56 LEU N N 56 130.832 128.443 2.389 1
1 603 . 5 1 1 A 57 57 PRO HA H 57 3.779 3.456 0.323 1
1 610 . 5 1 1 A 57 57 PRO CA C 57 62.240 63.089 -0.849 1
1 611 . 5 1 1 A 57 57 PRO CB C 57 31.130 31.090 0.040 1
1 614 . 5 1 1 A 58 58 GLY H H 58 8.908 8.516 0.392 1
1 615 . 5 1 1 A 58 58 GLY HA2 H 58 4.027 3.855 0.172 1
1 616 . 5 1 1 A 58 58 GLY HA3 H 58 3.433 3.856 -0.423 1
1 617 . 5 1 1 A 58 58 GLY CA C 58 44.860 45.503 -0.643 1
1 618 . 5 1 1 A 58 58 GLY N N 58 112.351 111.216 1.135 1
1 619 . 5 1 1 A 59 59 LYS H H 59 7.214 7.022 0.192 1
1 620 . 5 1 1 A 59 59 LYS HA H 59 4.386 4.784 -0.398 1
1 629 . 5 1 1 A 59 59 LYS CA C 59 53.760 54.790 -1.030 1
1 630 . 5 1 1 A 59 59 LYS CB C 59 34.590 35.853 -1.263 1
1 634 . 5 1 1 A 59 59 LYS N N 59 121.458 120.609 0.849 1
1 635 . 5 1 1 A 60 60 GLY H H 60 8.312 8.401 -0.089 1
1 636 . 5 1 1 A 60 60 GLY HA2 H 60 3.379 3.928 -0.549 1
1 637 . 5 1 1 A 60 60 GLY HA3 H 60 3.229 4.074 -0.845 1
1 638 . 5 1 1 A 60 60 GLY CA C 60 45.350 45.412 -0.062 1
1 639 . 5 1 1 A 60 60 GLY N N 60 103.990 112.953 -8.963 1
1 640 . 5 1 1 A 61 61 HIS H H 61 7.880 8.138 -0.258 1
1 641 . 5 1 1 A 61 61 HIS HA H 61 4.868 5.410 -0.542 1
1 645 . 5 1 1 A 61 61 HIS CA C 61 53.920 54.613 -0.693 1
1 646 . 5 1 1 A 61 61 HIS CB C 61 33.020 34.329 -1.309 1
1 648 . 5 1 1 A 61 61 HIS N N 61 121.221 119.947 1.274 1
1 649 . 5 1 1 A 62 62 CYS H H 62 8.760 8.565 0.195 1
1 650 . 5 1 1 A 62 62 CYS HA H 62 4.248 5.022 -0.774 1
1 653 . 5 1 1 A 62 62 CYS CA C 62 61.730 57.764 3.966 1
1 654 . 5 1 1 A 62 62 CYS CB C 62 26.560 27.784 -1.224 1
1 655 . 5 1 1 A 62 62 CYS N N 62 121.842 120.611 1.231 1
1 656 . 5 1 1 A 63 63 VAL H H 63 8.109 8.877 -0.768 1
1 657 . 5 1 1 A 63 63 VAL HA H 63 4.869 4.780 0.089 1
1 665 . 5 1 1 A 63 63 VAL CA C 63 62.210 62.245 -0.035 1
1 666 . 5 1 1 A 63 63 VAL CB C 63 34.780 32.270 2.510 1
1 669 . 5 1 1 A 63 63 VAL N N 63 127.029 126.683 0.346 1
1 670 . 5 1 1 A 64 64 THR H H 64 8.453 8.700 -0.247 1
1 671 . 5 1 1 A 64 64 THR HA H 64 5.349 4.782 0.567 1
1 676 . 5 1 1 A 64 64 THR CA C 64 61.100 61.501 -0.401 1
1 677 . 5 1 1 A 64 64 THR CB C 64 70.790 70.320 0.470 1
1 679 . 5 1 1 A 64 64 THR N N 64 116.830 120.498 -3.668 1
1 680 . 5 1 1 A 65 65 GLY H H 65 8.663 8.601 0.062 1
1 681 . 5 1 1 A 65 65 GLY HA2 H 65 4.085 3.496 0.589 1
1 682 . 5 1 1 A 65 65 GLY HA3 H 65 3.480 4.159 -0.679 1
1 683 . 5 1 1 A 65 65 GLY CA C 65 46.570 45.889 0.681 1
1 684 . 5 1 1 A 65 65 GLY N N 65 107.680 109.053 -1.373 1
1 685 . 5 1 1 A 66 66 GLU H H 66 8.574 8.099 0.475 1
1 686 . 5 1 1 A 66 66 GLU HA H 66 5.150 5.157 -0.007 1
1 689 . 5 1 1 A 66 66 GLU CA C 66 54.450 54.792 -0.342 1
1 690 . 5 1 1 A 66 66 GLU CB C 66 37.328 33.323 4.005 1
1 691 . 5 1 1 A 66 66 GLU N N 66 120.921 119.634 1.287 1
1 692 . 5 1 1 A 67 67 ILE H H 67 8.623 8.114 0.509 1
1 693 . 5 1 1 A 67 67 ILE HA H 67 5.149 4.948 0.201 1
1 703 . 5 1 1 A 67 67 ILE CA C 67 60.180 60.228 -0.048 1
1 704 . 5 1 1 A 67 67 ILE CB C 67 40.210 40.833 -0.623 1
1 708 . 5 1 1 A 67 67 ILE N N 67 121.340 121.241 0.099 1
1 709 . 5 1 1 A 68 68 TYR H H 68 9.196 9.127 0.069 1
1 710 . 5 1 1 A 68 68 TYR HA H 68 5.001 5.339 -0.338 1
1 717 . 5 1 1 A 68 68 TYR CA C 68 56.270 56.366 -0.096 1
1 718 . 5 1 1 A 68 68 TYR CB C 68 41.480 40.947 0.533 1
1 721 . 5 1 1 A 68 68 TYR N N 68 123.650 125.730 -2.080 1
1 722 . 5 1 1 A 69 69 GLU H H 69 9.302 9.040 0.262 1
1 723 . 5 1 1 A 69 69 GLU HA H 69 5.066 4.602 0.464 1
1 728 . 5 1 1 A 69 69 GLU CA C 69 55.180 57.069 -1.889 1
1 729 . 5 1 1 A 69 69 GLU CB C 69 31.420 30.169 1.251 1
1 731 . 5 1 1 A 69 69 GLU N N 69 124.090 125.475 -1.385 1
1 732 . 5 1 1 A 70 70 VAL H H 70 8.908 9.131 -0.223 1
1 733 . 5 1 1 A 70 70 VAL HA H 70 5.556 5.283 0.273 1
1 741 . 5 1 1 A 70 70 VAL CA C 70 57.780 58.886 -1.106 1
1 742 . 5 1 1 A 70 70 VAL CB C 70 35.400 35.080 0.320 1
1 745 . 5 1 1 A 70 70 VAL N N 70 119.540 120.456 -0.916 1
1 746 . 5 1 1 A 71 71 ASP H H 71 7.939 8.526 -0.587 1
1 747 . 5 1 1 A 71 71 ASP HA H 71 4.909 4.891 0.018 1
1 750 . 5 1 1 A 71 71 ASP CA C 71 51.240 53.147 -1.907 1
1 751 . 5 1 1 A 71 71 ASP CB C 71 42.210 41.707 0.503 1
1 752 . 5 1 1 A 71 71 ASP N N 71 120.720 121.480 -0.760 1
1 753 . 5 1 1 A 72 72 GLU H H 72 8.364 8.809 -0.445 1
1 754 . 5 1 1 A 72 72 GLU HA H 72 3.869 3.945 -0.076 1
1 757 . 5 1 1 A 72 72 GLU CA C 72 59.775 59.609 0.166 1
1 758 . 5 1 1 A 72 72 GLU CB C 72 29.140 29.259 -0.119 1
1 760 . 5 1 1 A 72 72 GLU N N 72 117.910 123.019 -5.109 1
1 761 . 5 1 1 A 73 73 GLN H H 73 7.960 8.067 -0.107 1
1 762 . 5 1 1 A 73 73 GLN HA H 73 3.899 4.079 -0.180 1
1 767 . 5 1 1 A 73 73 GLN CA C 73 59.570 58.809 0.761 1
1 768 . 5 1 1 A 73 73 GLN CB C 73 27.810 27.991 -0.181 1
1 770 . 5 1 1 A 73 73 GLN N N 73 119.617 120.218 -0.601 1
1 772 . 5 1 1 A 74 74 MET H H 74 8.489 7.691 0.798 1
1 773 . 5 1 1 A 74 74 MET HA H 74 4.766 4.391 0.375 1
1 780 . 5 1 1 A 74 74 MET CA C 74 56.790 58.240 -1.450 1
1 781 . 5 1 1 A 74 74 MET CB C 74 31.900 32.448 -0.548 1
1 784 . 5 1 1 A 74 74 MET N N 74 121.800 119.303 2.497 1
1 785 . 5 1 1 A 75 75 LEU H H 75 8.162 8.278 -0.116 1
1 786 . 5 1 1 A 75 75 LEU HA H 75 3.897 4.085 -0.188 1
1 796 . 5 1 1 A 75 75 LEU CA C 75 58.230 57.773 0.457 1
1 797 . 5 1 1 A 75 75 LEU CB C 75 42.160 41.272 0.888 1
1 801 . 5 1 1 A 75 75 LEU N N 75 120.230 121.735 -1.505 1
1 802 . 5 1 1 A 76 76 ARG H H 76 7.824 8.187 -0.363 1
1 803 . 5 1 1 A 76 76 ARG HA H 76 3.952 4.043 -0.091 1
1 811 . 5 1 1 A 76 76 ARG CA C 76 59.270 59.166 0.104 1
1 812 . 5 1 1 A 76 76 ARG CB C 76 29.930 30.269 -0.339 1
1 815 . 5 1 1 A 76 76 ARG N N 76 116.540 120.580 -4.040 1
1 817 . 5 1 1 A 77 77 PHE H H 77 8.137 7.951 0.186 1
1 818 . 5 1 1 A 77 77 PHE HA H 77 4.085 4.185 -0.100 1
1 825 . 5 1 1 A 77 77 PHE CA C 77 61.980 61.143 0.837 1
1 826 . 5 1 1 A 77 77 PHE CB C 77 38.530 39.075 -0.545 1
1 829 . 5 1 1 A 77 77 PHE N N 77 120.650 121.600 -0.950 1
1 830 . 5 1 1 A 78 78 LEU H H 78 9.071 8.936 0.135 1
1 831 . 5 1 1 A 78 78 LEU HA H 78 3.629 3.643 -0.014 1
1 841 . 5 1 1 A 78 78 LEU CA C 78 57.730 57.678 0.052 1
1 842 . 5 1 1 A 78 78 LEU CB C 78 41.420 41.100 0.320 1
1 846 . 5 1 1 A 78 78 LEU N N 78 122.360 119.359 3.001 1
1 847 . 5 1 1 A 79 79 ASP H H 79 8.506 8.282 0.224 1
1 848 . 5 1 1 A 79 79 ASP HA H 79 4.320 4.442 -0.122 1
1 851 . 5 1 1 A 79 79 ASP CA C 79 57.190 57.363 -0.173 1
1 852 . 5 1 1 A 79 79 ASP CB C 79 39.420 40.552 -1.132 1
1 853 . 5 1 1 A 79 79 ASP N N 79 120.070 120.121 -0.051 1
1 854 . 5 1 1 A 80 80 ASP H H 80 7.154 7.612 -0.458 1
1 855 . 5 1 1 A 80 80 ASP HA H 80 4.501 4.482 0.019 1
1 858 . 5 1 1 A 80 80 ASP CA C 80 56.700 56.391 0.309 1
1 859 . 5 1 1 A 80 80 ASP CB C 80 40.660 40.791 -0.131 1
1 860 . 5 1 1 A 80 80 ASP N N 80 118.890 119.170 -0.280 1
1 861 . 5 1 1 A 81 81 PHE H H 81 8.791 7.575 1.216 1
1 862 . 5 1 1 A 81 81 PHE HA H 81 3.659 3.783 -0.124 1
1 867 . 5 1 1 A 81 81 PHE CA C 81 61.640 60.967 0.673 1
1 868 . 5 1 1 A 81 81 PHE CB C 81 40.210 38.775 1.435 1
1 870 . 5 1 1 A 81 81 PHE N N 81 125.745 119.971 5.774 1
1 871 . 5 1 1 A 82 82 GLU H H 82 8.209 7.492 0.717 1
1 872 . 5 1 1 A 82 82 GLU HA H 82 3.956 3.761 0.195 1
1 875 . 5 1 1 A 82 82 GLU CA C 82 55.060 55.124 -0.064 1
1 876 . 5 1 1 A 82 82 GLU CB C 82 28.910 28.003 0.907 1
1 878 . 5 1 1 A 82 82 GLU N N 82 115.707 114.825 0.882 1
1 879 . 5 1 1 A 83 83 ASP H H 83 7.615 7.665 -0.050 1
1 880 . 5 1 1 A 83 83 ASP HA H 83 4.236 4.220 0.016 1
1 883 . 5 1 1 A 83 83 ASP CA C 83 54.370 54.950 -0.580 1
1 884 . 5 1 1 A 83 83 ASP CB C 83 39.400 39.282 0.118 1
1 885 . 5 1 1 A 83 83 ASP N N 83 116.517 118.498 -1.981 1
1 886 . 5 1 1 A 84 84 CYS H H 84 8.361 7.750 0.611 1
1 887 . 5 1 1 A 84 84 CYS HA H 84 5.522 4.966 0.556 1
1 890 . 5 1 1 A 84 84 CYS CA C 84 56.617 57.873 -1.256 1
1 891 . 5 1 1 A 84 84 CYS CB C 84 27.651 27.395 0.256 1
1 892 . 5 1 1 A 84 84 CYS N N 84 119.420 116.801 2.619 1
1 893 . 5 1 1 A 85 85 PRO HA H 85 5.704 4.649 1.055 1
1 900 . 5 1 1 A 85 85 PRO CA C 85 64.355 64.109 0.246 1
1 901 . 5 1 1 A 85 85 PRO CB C 85 33.190 32.278 0.912 1
1 904 . 5 1 1 A 86 86 SER H H 86 8.389 8.377 0.012 1
1 905 . 5 1 1 A 86 86 SER HA H 86 4.175 4.190 -0.015 1
1 907 . 5 1 1 A 86 86 SER CA C 86 62.130 61.773 0.357 1
1 908 . 5 1 1 A 86 86 SER CB C 86 63.080 62.840 0.240 1
1 909 . 5 1 1 A 86 86 SER N N 86 122.195 114.599 7.596 1
1 910 . 5 1 1 A 87 87 MET H H 87 8.576 8.644 -0.068 1
1 911 . 5 1 1 A 87 87 MET HA H 87 4.475 4.579 -0.104 1
1 918 . 5 1 1 A 87 87 MET CA C 87 57.520 58.172 -0.652 1
1 919 . 5 1 1 A 87 87 MET CB C 87 33.210 33.093 0.117 1
1 922 . 5 1 1 A 87 87 MET N N 87 121.299 119.601 1.698 1
1 923 . 5 1 1 A 88 88 TYR H H 88 6.778 7.860 -1.082 1
1 924 . 5 1 1 A 88 88 TYR HA H 88 5.023 5.068 -0.045 1
1 931 . 5 1 1 A 88 88 TYR CA C 88 56.300 58.222 -1.922 1
1 932 . 5 1 1 A 88 88 TYR CB C 88 42.530 40.021 2.509 1
1 935 . 5 1 1 A 88 88 TYR N N 88 113.420 116.155 -2.735 1
1 936 . 5 1 1 A 89 89 GLN H H 89 9.567 9.445 0.122 1
1 937 . 5 1 1 A 89 89 GLN HA H 89 4.857 5.016 -0.159 1
1 944 . 5 1 1 A 89 89 GLN CA C 89 55.870 54.261 1.609 1
1 945 . 5 1 1 A 89 89 GLN CB C 89 30.430 32.372 -1.942 1
1 947 . 5 1 1 A 89 89 GLN N N 89 115.440 119.550 -4.110 1
1 949 . 5 1 1 A 90 90 ARG H H 90 8.772 8.598 0.174 1
1 950 . 5 1 1 A 90 90 ARG HA H 90 4.499 4.208 0.291 1
1 958 . 5 1 1 A 90 90 ARG CA C 90 56.620 56.249 0.371 1
1 959 . 5 1 1 A 90 90 ARG CB C 90 29.020 30.508 -1.488 1
1 962 . 5 1 1 A 90 90 ARG N N 90 123.860 124.157 -0.297 1
1 964 . 5 1 1 A 91 91 THR H H 91 9.217 8.971 0.246 1
1 965 . 5 1 1 A 91 91 THR HA H 91 4.518 4.878 -0.360 1
1 970 . 5 1 1 A 91 91 THR CA C 91 60.570 61.111 -0.541 1
1 971 . 5 1 1 A 91 91 THR CB C 91 71.050 72.622 -1.572 1
1 973 . 5 1 1 A 91 91 THR N N 91 125.064 121.126 3.938 1
1 974 . 5 1 1 A 92 92 ALA H H 92 8.655 8.486 0.169 1
1 975 . 5 1 1 A 92 92 ALA HA H 92 5.041 4.829 0.212 1
1 979 . 5 1 1 A 92 92 ALA CA C 92 51.320 51.151 0.169 1
1 980 . 5 1 1 A 92 92 ALA CB C 92 19.480 20.412 -0.932 1
1 981 . 5 1 1 A 92 92 ALA N N 92 126.963 127.445 -0.482 1
1 982 . 5 1 1 A 93 93 LEU H H 93 9.005 8.577 0.428 1
1 983 . 5 1 1 A 93 93 LEU HA H 93 4.720 4.901 -0.181 1
1 993 . 5 1 1 A 93 93 LEU CA C 93 53.750 54.130 -0.380 1
1 994 . 5 1 1 A 93 93 LEU CB C 93 45.340 44.609 0.731 1
1 998 . 5 1 1 A 93 93 LEU N N 93 122.440 118.399 4.041 1
1 999 . 5 1 1 A 94 94 GLN H H 94 8.360 8.793 -0.433 1
1 1000 . 5 1 1 A 94 94 GLN HA H 94 4.229 4.985 -0.756 1
1 1005 . 5 1 1 A 94 94 GLN CA C 94 56.040 54.658 1.382 1
1 1006 . 5 1 1 A 94 94 GLN CB C 94 28.780 30.484 -1.704 1
1 1008 . 5 1 1 A 94 94 GLN N N 94 119.357 120.425 -1.068 1
1 1010 . 5 1 1 A 95 95 VAL H H 95 8.612 8.793 -0.181 1
1 1011 . 5 1 1 A 95 95 VAL HA H 95 4.013 4.376 -0.363 1
1 1019 . 5 1 1 A 95 95 VAL CA C 95 61.440 60.352 1.088 1
1 1020 . 5 1 1 A 95 95 VAL CB C 95 35.110 35.270 -0.160 1
1 1023 . 5 1 1 A 95 95 VAL N N 95 126.928 125.638 1.290 1
1 1024 . 5 1 1 A 96 96 GLN H H 96 9.222 9.082 0.140 1
1 1025 . 5 1 1 A 96 96 GLN HA H 96 4.279 4.669 -0.390 1
1 1032 . 5 1 1 A 96 96 GLN CA C 96 55.150 55.722 -0.572 1
1 1033 . 5 1 1 A 96 96 GLN CB C 96 29.100 29.687 -0.587 1
1 1035 . 5 1 1 A 96 96 GLN N N 96 128.360 126.706 1.654 1
1 1037 . 5 1 1 A 97 97 VAL H H 97 8.233 8.406 -0.173 1
1 1038 . 5 1 1 A 97 97 VAL HA H 97 3.674 4.479 -0.805 1
1 1046 . 5 1 1 A 97 97 VAL CA C 97 64.040 60.956 3.084 1
1 1047 . 5 1 1 A 97 97 VAL CB C 97 31.920 32.092 -0.172 1
1 1050 . 5 1 1 A 97 97 VAL N N 97 128.120 126.005 2.115 1
1 1051 . 5 1 1 A 98 98 LEU H H 98 8.880 8.554 0.326 1
1 1052 . 5 1 1 A 98 98 LEU HA H 98 4.472 3.997 0.475 1
1 1059 . 5 1 1 A 98 98 LEU CA C 98 55.641 57.449 -1.808 1
1 1060 . 5 1 1 A 98 98 LEU CB C 98 42.510 41.992 0.518 1
1 1063 . 5 1 1 A 98 98 LEU N N 98 128.877 129.608 -0.731 1
1 1064 . 5 1 1 A 99 99 GLU H H 99 7.682 7.611 0.071 1
1 1065 . 5 1 1 A 99 99 GLU HA H 99 4.403 4.815 -0.412 1
1 1070 . 5 1 1 A 99 99 GLU CA C 99 56.310 55.810 0.500 1
1 1071 . 5 1 1 A 99 99 GLU CB C 99 32.790 33.441 -0.651 1
1 1073 . 5 1 1 A 99 99 GLU N N 99 118.210 115.539 2.671 1
1 1074 . 5 1 1 A 100 100 TRP H H 100 8.883 8.824 0.059 1
1 1075 . 5 1 1 A 100 100 TRP HA H 100 5.205 5.323 -0.118 1
1 1084 . 5 1 1 A 100 100 TRP CA C 100 55.982 55.465 0.517 1
1 1085 . 5 1 1 A 100 100 TRP CB C 100 32.430 33.092 -0.662 1
1 1091 . 5 1 1 A 100 100 TRP N N 100 126.421 127.780 -1.359 1
1 1093 . 5 1 1 A 101 101 GLU H H 101 8.116 8.185 -0.069 1
1 1094 . 5 1 1 A 101 101 GLU HA H 101 4.462 4.517 -0.055 1
1 1098 . 5 1 1 A 101 101 GLU CA C 101 55.050 55.123 -0.073 1
1 1099 . 5 1 1 A 101 101 GLU CB C 101 30.950 30.152 0.798 1
1 1101 . 5 1 1 A 101 101 GLU N N 101 128.535 126.189 2.346 1
1 1102 . 5 1 1 A 102 102 GLY H H 102 7.614 8.080 -0.466 1
1 1103 . 5 1 1 A 102 102 GLY HA2 H 102 3.853 3.978 -0.125 1
1 1104 . 5 1 1 A 102 102 GLY HA3 H 102 3.905 4.063 -0.158 1
1 1105 . 5 1 1 A 102 102 GLY CA C 102 44.440 43.685 0.755 1
1 1106 . 5 1 1 A 102 102 GLY N N 102 108.953 111.116 -2.163 1
1 1107 . 5 1 1 A 103 103 ASP H H 103 8.261 8.460 -0.199 1
1 1108 . 5 1 1 A 103 103 ASP HA H 103 4.641 4.885 -0.244 1
1 1111 . 5 1 1 A 103 103 ASP CA C 103 54.530 54.353 0.177 1
1 1112 . 5 1 1 A 103 103 ASP CB C 103 41.690 41.830 -0.140 1
1 1113 . 5 1 1 A 103 103 ASP N N 103 118.730 120.084 -1.354 1
1 1114 . 5 1 1 A 104 104 GLY H H 104 8.526 9.002 -0.476 1
1 1115 . 5 1 1 A 104 104 GLY HA2 H 104 3.719 3.983 -0.264 1
1 1116 . 5 1 1 A 104 104 GLY HA3 H 104 3.892 4.109 -0.217 1
1 1117 . 5 1 1 A 104 104 GLY CA C 104 45.960 46.766 -0.806 1
1 1118 . 5 1 1 A 104 104 GLY N N 104 109.230 113.137 -3.907 1
1 1119 . 5 1 1 A 105 105 ASP H H 105 7.806 8.050 -0.244 1
1 1120 . 5 1 1 A 105 105 ASP HA H 105 3.381 4.432 -1.051 1
1 1123 . 5 1 1 A 105 105 ASP CA C 105 51.020 50.439 0.581 1
1 1124 . 5 1 1 A 105 105 ASP CB C 105 41.406 40.656 0.750 1
1 1125 . 5 1 1 A 105 105 ASP N N 105 119.739 120.569 -0.830 1
1 1126 . 5 1 1 A 106 106 PRO HA H 106 4.065 4.222 -0.157 1
1 1133 . 5 1 1 A 106 106 PRO CA C 106 62.970 63.174 -0.204 1
1 1134 . 5 1 1 A 106 106 PRO CB C 106 31.660 31.698 -0.038 1
1 1137 . 5 1 1 A 107 107 GLY H H 107 7.863 7.828 0.035 1
1 1138 . 5 1 1 A 107 107 GLY HA2 H 107 3.401 3.872 -0.471 1
1 1139 . 5 1 1 A 107 107 GLY HA3 H 107 4.103 3.875 0.228 1
1 1140 . 5 1 1 A 107 107 GLY CA C 107 44.170 44.843 -0.673 1
1 1141 . 5 1 1 A 107 107 GLY N N 107 109.610 110.823 -1.213 1
1 1142 . 5 1 1 A 108 108 ASP H H 108 8.171 8.748 -0.577 1
1 1143 . 5 1 1 A 108 108 ASP HA H 108 4.283 4.679 -0.396 1
1 1145 . 5 1 1 A 108 108 ASP CA C 108 56.430 53.844 2.586 1
1 1146 . 5 1 1 A 108 108 ASP CB C 108 41.490 41.707 -0.217 1
1 1147 . 5 1 1 A 108 108 ASP N N 108 119.264 122.851 -3.587 1
1 1148 . 5 1 1 A 109 109 SER H H 109 7.560 7.681 -0.121 1
1 1149 . 5 1 1 A 109 109 SER HA H 109 5.188 5.034 0.154 1
1 1152 . 5 1 1 A 109 109 SER CA C 109 56.740 56.786 -0.046 1
1 1153 . 5 1 1 A 109 109 SER CB C 109 65.780 65.816 -0.036 1
1 1154 . 5 1 1 A 109 109 SER N N 109 110.810 112.030 -1.220 1
1 1155 . 5 1 1 A 110 110 VAL H H 110 8.932 8.954 -0.022 1
1 1156 . 5 1 1 A 110 110 VAL HA H 110 4.262 4.709 -0.447 1
1 1164 . 5 1 1 A 110 110 VAL CA C 110 59.470 59.941 -0.471 1
1 1165 . 5 1 1 A 110 110 VAL CB C 110 35.400 33.508 1.892 1
1 1168 . 5 1 1 A 110 110 VAL N N 110 118.530 118.940 -0.410 1
1 1169 . 5 1 1 A 111 111 GLN H H 111 8.468 8.651 -0.183 1
1 1170 . 5 1 1 A 111 111 GLN HA H 111 4.422 4.805 -0.383 1
1 1177 . 5 1 1 A 111 111 GLN CA C 111 55.960 55.111 0.849 1
1 1178 . 5 1 1 A 111 111 GLN CB C 111 29.470 29.770 -0.300 1
1 1180 . 5 1 1 A 111 111 GLN N N 111 127.378 122.074 5.304 1
1 1182 . 5 1 1 A 112 112 CYS H H 112 8.785 8.914 -0.129 1
1 1183 . 5 1 1 A 112 112 CYS HA H 112 4.782 5.231 -0.449 1
1 1186 . 5 1 1 A 112 112 CYS CA C 112 57.100 57.731 -0.631 1
1 1187 . 5 1 1 A 112 112 CYS CB C 112 33.700 31.822 1.878 1
1 1188 . 5 1 1 A 112 112 CYS N N 112 122.300 123.952 -1.652 1
1 1189 . 5 1 1 A 113 113 PHE H H 113 8.838 8.620 0.218 1
1 1190 . 5 1 1 A 113 113 PHE HA H 113 5.154 5.283 -0.129 1
1 1197 . 5 1 1 A 113 113 PHE CA C 113 58.650 57.368 1.282 1
1 1198 . 5 1 1 A 113 113 PHE CB C 113 40.210 41.002 -0.792 1
1 1201 . 5 1 1 A 113 113 PHE N N 113 118.974 121.026 -2.052 1
1 1202 . 5 1 1 A 114 114 VAL H H 114 9.079 9.053 0.026 1
1 1203 . 5 1 1 A 114 114 VAL HA H 114 4.472 4.751 -0.279 1
1 1211 . 5 1 1 A 114 114 VAL CA C 114 60.650 61.380 -0.730 1
1 1212 . 5 1 1 A 114 114 VAL CB C 114 35.970 35.310 0.660 1
1 1215 . 5 1 1 A 114 114 VAL N N 114 121.660 121.539 0.121 1
1 1216 . 5 1 1 A 115 115 TYR H H 115 9.672 9.035 0.637 1
1 1217 . 5 1 1 A 115 115 TYR HA H 115 4.988 5.110 -0.122 1
1 1224 . 5 1 1 A 115 115 TYR CA C 115 59.240 58.427 0.813 1
1 1225 . 5 1 1 A 115 115 TYR CB C 115 36.925 39.936 -3.011 1
1 1228 . 5 1 1 A 115 115 TYR N N 115 127.830 126.708 1.122 1
1 1229 . 5 1 1 A 116 116 THR H H 116 9.061 8.995 0.066 1
1 1230 . 5 1 1 A 116 116 THR HA H 116 5.435 5.512 -0.077 1
1 1235 . 5 1 1 A 116 116 THR CA C 116 60.130 60.496 -0.366 1
1 1236 . 5 1 1 A 116 116 THR CB C 116 71.910 72.390 -0.480 1
1 1238 . 5 1 1 A 116 116 THR N N 116 119.130 113.733 5.397 1
1 1239 . 5 1 1 A 117 117 THR H H 117 8.707 8.927 -0.220 1
1 1240 . 5 1 1 A 117 117 THR HA H 117 5.561 5.195 0.366 1
1 1245 . 5 1 1 A 117 117 THR CA C 117 60.160 60.193 -0.033 1
1 1246 . 5 1 1 A 117 117 THR CB C 117 70.170 71.355 -1.185 1
1 1248 . 5 1 1 A 117 117 THR N N 117 111.190 115.299 -4.109 1
1 1249 . 5 1 1 A 118 118 ALA H H 118 9.257 8.438 0.819 1
1 1250 . 5 1 1 A 118 118 ALA HA H 118 5.033 4.758 0.275 1
1 1254 . 5 1 1 A 118 118 ALA CA C 118 51.550 52.140 -0.590 1
1 1255 . 5 1 1 A 118 118 ALA CB C 118 20.050 19.924 0.126 1
1 1256 . 5 1 1 A 118 118 ALA N N 118 132.010 128.003 4.007 1
1 1257 . 5 1 1 A 119 119 THR H H 119 8.628 7.369 1.259 1
1 1258 . 5 1 1 A 119 119 THR HA H 119 4.143 4.316 -0.173 1
1 1263 . 5 1 1 A 119 119 THR CA C 119 60.090 60.273 -0.183 1
1 1264 . 5 1 1 A 119 119 THR CB C 119 68.056 69.031 -0.975 1
1 1266 . 5 1 1 A 119 119 THR N N 119 114.350 105.512 8.838 1
1 1267 . 5 1 1 A 120 120 TYR H H 120 6.281 7.071 -0.790 1
1 1268 . 5 1 1 A 120 120 TYR HA H 120 3.594 4.064 -0.470 1
1 1273 . 5 1 1 A 120 120 TYR CA C 120 53.530 57.421 -3.891 1
1 1274 . 5 1 1 A 120 120 TYR CB C 120 40.072 39.664 0.408 1
1 1276 . 5 1 1 A 120 120 TYR N N 120 117.205 121.781 -4.576 1
1 1277 . 5 1 1 A 121 121 ALA HA H 121 5.030 4.100 0.930 1
1 1278 . 5 1 1 A 121 121 ALA CA C 121 51.536 50.466 1.070 1
1 1279 . 5 1 1 A 122 122 PRO HA H 122 4.059 4.378 -0.319 1
1 1285 . 5 1 1 A 122 122 PRO CA C 122 65.435 64.728 0.707 1
1 1286 . 5 1 1 A 122 122 PRO CB C 122 31.680 32.076 -0.396 1
1 1289 . 5 1 1 A 123 123 GLU H H 123 9.336 9.020 0.316 1
1 1290 . 5 1 1 A 123 123 GLU HA H 123 4.169 4.391 -0.222 1
1 1294 . 5 1 1 A 123 123 GLU CA C 123 59.100 59.142 -0.042 1
1 1295 . 5 1 1 A 123 123 GLU CB C 123 27.940 28.925 -0.985 1
1 1297 . 5 1 1 A 123 123 GLU N N 123 115.528 115.914 -0.386 1
1 1298 . 5 1 1 A 124 124 TRP H H 124 8.560 7.961 0.599 1
1 1299 . 5 1 1 A 124 124 TRP HA H 124 4.671 4.646 0.025 1
1 1308 . 5 1 1 A 124 124 TRP CA C 124 57.370 60.343 -2.973 1
1 1309 . 5 1 1 A 124 124 TRP CB C 124 28.310 28.297 0.013 1
1 1315 . 5 1 1 A 124 124 TRP N N 124 123.431 119.956 3.475 1
1 1317 . 5 1 1 A 125 125 LEU H H 125 7.378 7.582 -0.204 1
1 1318 . 5 1 1 A 125 125 LEU HA H 125 4.065 4.088 -0.023 1
1 1328 . 5 1 1 A 125 125 LEU CA C 125 56.060 57.496 -1.436 1
1 1329 . 5 1 1 A 125 125 LEU CB C 125 41.220 41.248 -0.028 1
1 1333 . 5 1 1 A 125 125 LEU N N 125 113.660 120.915 -7.255 1
1 1334 . 5 1 1 A 126 126 PHE H H 126 7.415 7.490 -0.075 1
1 1335 . 5 1 1 A 126 126 PHE HA H 126 4.640 4.482 0.158 1
1 1342 . 5 1 1 A 126 126 PHE CA C 126 56.940 59.029 -2.089 1
1 1343 . 5 1 1 A 126 126 PHE CB C 126 38.670 38.977 -0.307 1
1 1346 . 5 1 1 A 126 126 PHE N N 126 116.360 115.631 0.729 1
1 1347 . 5 1 1 A 127 127 LEU H H 127 7.168 7.448 -0.280 1
1 1348 . 5 1 1 A 127 127 LEU HA H 127 4.529 4.435 0.094 1
1 1358 . 5 1 1 A 127 127 LEU CA C 127 53.580 53.722 -0.142 1
1 1359 . 5 1 1 A 127 127 LEU CB C 127 40.832 41.153 -0.321 1
1 1363 . 5 1 1 A 127 127 LEU N N 127 122.990 121.477 1.513 1
1 1364 . 5 1 1 A 128 128 PRO HA H 128 3.986 4.371 -0.385 1
1 1371 . 5 1 1 A 128 128 PRO CA C 128 63.140 62.550 0.590 1
1 1372 . 5 1 1 A 128 128 PRO CB C 128 31.993 32.403 -0.410 1
1 1375 . 5 1 1 A 129 129 TYR H H 129 8.070 8.175 -0.105 1
1 1376 . 5 1 1 A 129 129 TYR HA H 129 5.529 5.264 0.265 1
1 1383 . 5 1 1 A 129 129 TYR CA C 129 52.486 57.660 -5.174 1
1 1384 . 5 1 1 A 129 129 TYR CB C 129 36.760 41.074 -4.314 1
1 1387 . 5 1 1 A 129 129 TYR N N 129 120.100 121.119 -1.019 1
1 1388 . 5 1 1 A 130 130 HIS H H 130 9.193 8.671 0.522 1
1 1389 . 5 1 1 A 130 130 HIS HA H 130 4.733 4.862 -0.129 1
1 1393 . 5 1 1 A 130 130 HIS CA C 130 55.920 54.770 1.150 1
1 1394 . 5 1 1 A 130 130 HIS CB C 130 32.908 34.120 -1.212 1
1 1396 . 5 1 1 A 130 130 HIS N N 130 121.985 118.509 3.476 1
1 1397 . 5 1 1 A 131 131 GLU H H 131 9.093 9.018 0.075 1
1 1398 . 5 1 1 A 131 131 GLU HA H 131 4.277 4.348 -0.071 1
1 1402 . 5 1 1 A 131 131 GLU CA C 131 58.110 57.122 0.988 1
1 1403 . 5 1 1 A 131 131 GLU CB C 131 30.700 31.284 -0.584 1
1 1405 . 5 1 1 A 131 131 GLU N N 131 122.150 121.955 0.195 1
1 1406 . 5 1 1 A 132 132 SER H H 132 7.621 7.985 -0.364 1
1 1407 . 5 1 1 A 132 132 SER HA H 132 4.686 5.207 -0.521 1
1 1410 . 5 1 1 A 132 132 SER CA C 132 56.340 57.091 -0.751 1
1 1411 . 5 1 1 A 132 132 SER CB C 132 65.050 66.663 -1.613 1
1 1412 . 5 1 1 A 132 132 SER N N 132 108.030 112.000 -3.970 1
1 1413 . 5 1 1 A 133 133 TYR H H 133 8.667 8.774 -0.107 1
1 1414 . 5 1 1 A 133 133 TYR HA H 133 4.564 5.037 -0.473 1
1 1419 . 5 1 1 A 133 133 TYR CA C 133 57.910 57.481 0.429 1
1 1420 . 5 1 1 A 133 133 TYR CB C 133 40.720 40.846 -0.126 1
1 1422 . 5 1 1 A 133 133 TYR N N 133 121.977 122.463 -0.486 1
1 1423 . 5 1 1 A 134 134 ASP H H 134 7.303 8.758 -1.455 1
1 1424 . 5 1 1 A 134 134 ASP HA H 134 3.944 5.043 -1.099 1
1 1427 . 5 1 1 A 134 134 ASP CA C 134 52.540 53.814 -1.274 1
1 1428 . 5 1 1 A 134 134 ASP CB C 134 42.900 43.457 -0.557 1
1 1429 . 5 1 1 A 134 134 ASP N N 134 127.820 128.101 -0.281 1
1 1430 . 5 1 1 A 135 135 SER H H 135 9.392 8.971 0.421 1
1 1431 . 5 1 1 A 135 135 SER HA H 135 3.945 4.162 -0.217 1
1 1434 . 5 1 1 A 135 135 SER CA C 135 61.770 61.626 0.144 1
1 1435 . 5 1 1 A 135 135 SER CB C 135 63.561 63.211 0.350 1
1 1436 . 5 1 1 A 135 135 SER N N 135 127.670 120.326 7.344 1
1 1437 . 5 1 1 A 136 136 GLU H H 136 7.546 7.967 -0.421 1
1 1438 . 5 1 1 A 136 136 GLU HA H 136 4.233 4.488 -0.255 1
1 1443 . 5 1 1 A 136 136 GLU CA C 136 54.796 56.364 -1.568 1
1 1444 . 5 1 1 A 136 136 GLU CB C 136 28.420 29.865 -1.445 1
1 1446 . 5 1 1 A 136 136 GLU N N 136 113.107 118.010 -4.903 1
1 1447 . 5 1 1 A 137 137 GLY H H 137 7.241 7.887 -0.646 1
1 1448 . 5 1 1 A 137 137 GLY HA2 H 137 3.994 3.813 0.181 1
1 1449 . 5 1 1 A 137 137 GLY HA3 H 137 3.503 3.865 -0.362 1
1 1450 . 5 1 1 A 137 137 GLY CA C 137 44.880 44.343 0.537 1
1 1451 . 5 1 1 A 137 137 GLY N N 137 104.690 108.924 -4.234 1
1 1452 . 5 1 1 A 138 138 PRO HA H 138 4.211 4.308 -0.097 1
1 1459 . 5 1 1 A 138 138 PRO CA C 138 64.830 64.263 0.567 1
1 1460 . 5 1 1 A 138 138 PRO CB C 138 31.180 31.855 -0.675 1
1 1463 . 5 1 1 A 139 139 HIS H H 139 6.414 7.259 -0.845 1
1 1464 . 5 1 1 A 139 139 HIS HA H 139 4.299 4.629 -0.330 1
1 1467 . 5 1 1 A 139 139 HIS CA C 139 55.080 55.369 -0.289 1
1 1468 . 5 1 1 A 139 139 HIS CB C 139 30.260 28.896 1.364 1
1 1470 . 5 1 1 A 139 139 HIS N N 139 116.498 114.307 2.191 1
1 1471 . 5 1 1 A 140 140 GLY H H 140 7.082 8.591 -1.509 1
1 1472 . 5 1 1 A 140 140 GLY HA2 H 140 3.919 3.846 0.073 1
1 1473 . 5 1 1 A 140 140 GLY HA3 H 140 3.721 3.860 -0.139 1
1 1474 . 5 1 1 A 140 140 GLY CA C 140 46.590 47.064 -0.474 1
1 1475 . 5 1 1 A 140 140 GLY N N 140 108.485 110.694 -2.209 1
1 1476 . 5 1 1 A 141 141 LEU HA H 141 4.451 4.833 -0.382 1
1 1483 . 5 1 1 A 141 141 LEU CA C 141 53.024 52.939 0.085 1
1 1484 . 5 1 1 A 141 141 LEU CB C 141 39.500 41.834 -2.334 1
1 1487 . 5 1 1 A 142 142 ARG H H 142 7.472 8.588 -1.116 1
1 1488 . 5 1 1 A 142 142 ARG HA H 142 4.724 5.071 -0.347 1
1 1493 . 5 1 1 A 142 142 ARG CA C 142 55.940 53.917 2.023 1
1 1494 . 5 1 1 A 142 142 ARG CB C 142 31.070 34.202 -3.132 1
1 1497 . 5 1 1 A 142 142 ARG N N 142 121.987 121.177 0.810 1
1 1499 . 5 1 1 A 143 143 TYR H H 143 8.487 9.052 -0.565 1
1 1500 . 5 1 1 A 143 143 TYR HA H 143 4.474 4.654 -0.180 1
1 1507 . 5 1 1 A 143 143 TYR CA C 143 59.015 59.207 -0.192 1
1 1508 . 5 1 1 A 143 143 TYR CB C 143 38.720 38.950 -0.230 1
1 1511 . 5 1 1 A 143 143 TYR N N 143 127.896 122.668 5.228 1
1 1512 . 5 1 1 A 144 144 ASN H H 144 7.805 8.004 -0.199 1
1 1513 . 5 1 1 A 144 144 ASN HA H 144 4.892 5.319 -0.427 1
1 1518 . 5 1 1 A 144 144 ASN CA C 144 50.120 50.328 -0.208 1
1 1519 . 5 1 1 A 144 144 ASN CB C 144 39.360 39.442 -0.082 1
1 1520 . 5 1 1 A 144 144 ASN N N 144 125.629 126.361 -0.732 1
1 1522 . 5 1 1 A 145 145 PRO HA H 145 3.975 4.213 -0.238 1
1 1528 . 5 1 1 A 145 145 PRO CA C 145 63.140 63.959 -0.819 1
1 1529 . 5 1 1 A 145 145 PRO CB C 145 32.386 31.725 0.661 1
1 1532 . 5 1 1 A 146 146 ARG H H 146 8.055 7.959 0.096 1
1 1533 . 5 1 1 A 146 146 ARG HA H 146 3.918 4.604 -0.686 1
1 1541 . 5 1 1 A 146 146 ARG CA C 146 56.740 55.124 1.616 1
1 1542 . 5 1 1 A 146 146 ARG CB C 146 30.430 32.770 -2.340 1
1 1545 . 5 1 1 A 146 146 ARG N N 146 120.069 118.627 1.442 1
1 1547 . 5 1 1 A 147 147 GLU H H 147 8.440 7.928 0.512 1
1 1548 . 5 1 1 A 147 147 GLU HA H 147 4.167 4.213 -0.046 1
1 1552 . 5 1 1 A 147 147 GLU CA C 147 56.710 58.106 -1.396 1
1 1553 . 5 1 1 A 147 147 GLU CB C 147 30.150 29.259 0.891 1
1 1555 . 5 1 1 A 147 147 GLU N N 147 120.760 119.607 1.153 1
1 1556 . 5 1 1 A 148 148 ASN H H 148 8.363 7.893 0.470 1
1 1557 . 5 1 1 A 148 148 ASN HA H 148 4.652 5.035 -0.383 1
1 1562 . 5 1 1 A 148 148 ASN CA C 148 53.240 52.804 0.436 1
1 1563 . 5 1 1 A 148 148 ASN CB C 148 38.840 39.763 -0.923 1
1 1564 . 5 1 1 A 148 148 ASN N N 148 120.210 116.294 3.916 1
1 1 . 6 1 1 A 2 2 ALA HA H 2 4.182 5.087 -0.905 1
1 5 . 6 1 1 A 2 2 ALA CA C 2 51.510 51.306 0.204 1
1 6 . 6 1 1 A 2 2 ALA CB C 2 20.090 20.821 -0.731 1
1 7 . 6 1 1 A 3 3 HIS H H 3 9.173 8.914 0.259 1
1 8 . 6 1 1 A 3 3 HIS HA H 3 5.839 4.987 0.852 1
1 12 . 6 1 1 A 3 3 HIS CA C 3 56.960 56.138 0.822 1
1 13 . 6 1 1 A 3 3 HIS CB C 3 32.820 31.115 1.705 1
1 15 . 6 1 1 A 3 3 HIS N N 3 118.801 122.651 -3.850 1
1 16 . 6 1 1 A 4 4 ILE H H 4 9.494 8.914 0.580 1
1 17 . 6 1 1 A 4 4 ILE HA H 4 5.508 5.218 0.290 1
1 27 . 6 1 1 A 4 4 ILE CA C 4 58.300 59.365 -1.065 1
1 28 . 6 1 1 A 4 4 ILE CB C 4 41.930 42.133 -0.203 1
1 32 . 6 1 1 A 4 4 ILE N N 4 118.202 116.540 1.662 1
1 33 . 6 1 1 A 5 5 PHE H H 5 8.815 8.602 0.213 1
1 34 . 6 1 1 A 5 5 PHE HA H 5 5.789 5.510 0.279 1
1 42 . 6 1 1 A 5 5 PHE CA C 5 55.153 55.549 -0.396 1
1 43 . 6 1 1 A 5 5 PHE CB C 5 40.740 42.417 -1.677 1
1 47 . 6 1 1 A 5 5 PHE N N 5 126.107 124.593 1.514 1
1 48 . 6 1 1 A 6 6 VAL H H 6 9.078 8.514 0.564 1
1 49 . 6 1 1 A 6 6 VAL HA H 6 4.357 3.880 0.477 1
1 57 . 6 1 1 A 6 6 VAL CA C 6 59.157 60.566 -1.409 1
1 58 . 6 1 1 A 6 6 VAL CB C 6 33.473 33.223 0.250 1
1 61 . 6 1 1 A 6 6 VAL N N 6 118.658 127.078 -8.420 1
1 62 . 6 1 1 A 7 7 TYR H H 7 6.878 8.324 -1.446 1
1 63 . 6 1 1 A 7 7 TYR HA H 7 4.170 4.591 -0.421 1
1 66 . 6 1 1 A 7 7 TYR CB C 7 36.608 40.006 -3.398 1
1 67 . 6 1 1 A 7 7 TYR N N 7 116.860 124.874 -8.014 1
1 68 . 6 1 1 A 8 8 GLY HA2 H 8 4.195 4.082 0.113 1
1 69 . 6 1 1 A 8 8 GLY HA3 H 8 2.933 4.145 -1.212 1
1 70 . 6 1 1 A 8 8 GLY CA C 8 46.169 46.068 0.101 1
1 71 . 6 1 1 A 9 9 THR H H 9 7.618 8.425 -0.807 1
1 72 . 6 1 1 A 9 9 THR HA H 9 3.831 4.065 -0.234 1
1 77 . 6 1 1 A 9 9 THR CA C 9 64.570 65.129 -0.559 1
1 78 . 6 1 1 A 9 9 THR CB C 9 68.494 68.764 -0.270 1
1 80 . 6 1 1 A 9 9 THR N N 9 115.934 114.688 1.246 1
1 81 . 6 1 1 A 10 10 LEU H H 10 7.561 7.552 0.009 1
1 82 . 6 1 1 A 10 10 LEU HA H 10 3.673 4.478 -0.805 1
1 92 . 6 1 1 A 10 10 LEU CA C 10 55.950 53.891 2.059 1
1 93 . 6 1 1 A 10 10 LEU CB C 10 41.610 42.577 -0.967 1
1 97 . 6 1 1 A 10 10 LEU N N 10 120.151 119.869 0.282 1
1 98 . 6 1 1 A 11 11 LYS H H 11 6.738 7.848 -1.110 1
1 99 . 6 1 1 A 11 11 LYS HA H 11 4.007 4.642 -0.635 1
1 103 . 6 1 1 A 11 11 LYS CA C 11 57.390 57.293 0.097 1
1 104 . 6 1 1 A 11 11 LYS CB C 11 34.322 34.429 -0.107 1
1 106 . 6 1 1 A 11 11 LYS N N 11 116.295 120.167 -3.872 1
1 107 . 6 1 1 A 12 12 ARG H H 12 9.432 8.188 1.244 1
1 108 . 6 1 1 A 12 12 ARG HA H 12 2.029 4.605 -2.576 1
1 115 . 6 1 1 A 12 12 ARG CA C 12 58.420 56.692 1.728 1
1 116 . 6 1 1 A 12 12 ARG CB C 12 29.190 32.310 -3.120 1
1 119 . 6 1 1 A 12 12 ARG N N 12 120.863 117.865 2.998 1
1 120 . 6 1 1 A 13 13 GLY H H 13 8.048 7.888 0.160 1
1 121 . 6 1 1 A 13 13 GLY HA2 H 13 3.990 3.953 0.037 1
1 122 . 6 1 1 A 13 13 GLY HA3 H 13 3.538 3.999 -0.461 1
1 123 . 6 1 1 A 13 13 GLY CA C 13 45.490 45.285 0.205 1
1 124 . 6 1 1 A 13 13 GLY N N 13 111.120 107.054 4.066 1
1 125 . 6 1 1 A 14 14 GLN H H 14 7.904 7.397 0.507 1
1 126 . 6 1 1 A 14 14 GLN HA H 14 4.682 4.378 0.304 1
1 133 . 6 1 1 A 14 14 GLN CA C 14 53.440 54.606 -1.166 1
1 134 . 6 1 1 A 14 14 GLN CB C 14 27.115 28.199 -1.084 1
1 136 . 6 1 1 A 14 14 GLN N N 14 117.811 120.021 -2.210 1
1 138 . 6 1 1 A 15 15 PRO HA H 15 4.342 4.392 -0.050 1
1 145 . 6 1 1 A 15 15 PRO CA C 15 66.870 64.412 2.458 1
1 146 . 6 1 1 A 15 15 PRO CB C 15 34.060 31.863 2.197 1
1 149 . 6 1 1 A 16 16 ASN H H 16 8.287 8.422 -0.135 1
1 150 . 6 1 1 A 16 16 ASN HA H 16 5.356 4.509 0.847 1
1 155 . 6 1 1 A 16 16 ASN CA C 16 52.230 54.716 -2.486 1
1 156 . 6 1 1 A 16 16 ASN CB C 16 39.030 37.953 1.077 1
1 157 . 6 1 1 A 16 16 ASN N N 16 110.638 116.118 -5.480 1
1 159 . 6 1 1 A 17 17 HIS H H 17 7.819 7.946 -0.127 1
1 160 . 6 1 1 A 17 17 HIS HA H 17 3.815 3.998 -0.183 1
1 164 . 6 1 1 A 17 17 HIS CA C 17 60.140 60.118 0.022 1
1 165 . 6 1 1 A 17 17 HIS CB C 17 27.680 29.934 -2.254 1
1 167 . 6 1 1 A 17 17 HIS N N 17 121.058 121.106 -0.048 1
1 168 . 6 1 1 A 18 18 LYS H H 18 8.326 8.148 0.178 1
1 169 . 6 1 1 A 18 18 LYS HA H 18 3.695 4.054 -0.359 1
1 175 . 6 1 1 A 18 18 LYS CA C 18 58.890 58.724 0.166 1
1 176 . 6 1 1 A 18 18 LYS CB C 18 31.070 31.784 -0.714 1
1 180 . 6 1 1 A 18 18 LYS N N 18 112.812 117.227 -4.415 1
1 181 . 6 1 1 A 19 19 VAL H H 19 7.373 7.681 -0.308 1
1 182 . 6 1 1 A 19 19 VAL HA H 19 3.816 3.910 -0.094 1
1 190 . 6 1 1 A 19 19 VAL CA C 19 64.960 65.352 -0.392 1
1 191 . 6 1 1 A 19 19 VAL CB C 19 30.960 31.642 -0.682 1
1 194 . 6 1 1 A 19 19 VAL N N 19 117.691 116.189 1.502 1
1 195 . 6 1 1 A 20 20 MET H H 20 7.329 8.039 -0.710 1
1 196 . 6 1 1 A 20 20 MET HA H 20 3.951 4.247 -0.296 1
1 204 . 6 1 1 A 20 20 MET CA C 20 55.560 57.555 -1.995 1
1 205 . 6 1 1 A 20 20 MET CB C 20 31.460 31.904 -0.444 1
1 208 . 6 1 1 A 20 20 MET N N 20 114.870 119.653 -4.783 1
1 209 . 6 1 1 A 21 21 LEU H H 21 6.718 7.349 -0.631 1
1 210 . 6 1 1 A 21 21 LEU HA H 21 4.091 4.240 -0.149 1
1 220 . 6 1 1 A 21 21 LEU CA C 21 54.140 55.435 -1.295 1
1 221 . 6 1 1 A 21 21 LEU CB C 21 42.310 42.128 0.182 1
1 225 . 6 1 1 A 21 21 LEU N N 21 116.021 117.996 -1.975 1
1 226 . 6 1 1 A 22 22 ASP H H 22 6.399 7.457 -1.058 1
1 227 . 6 1 1 A 22 22 ASP HA H 22 4.288 4.742 -0.454 1
1 229 . 6 1 1 A 22 22 ASP CA C 22 52.776 53.526 -0.750 1
1 230 . 6 1 1 A 22 22 ASP CB C 22 40.180 39.215 0.965 1
1 231 . 6 1 1 A 22 22 ASP N N 22 117.972 119.313 -1.341 1
1 232 . 6 1 1 A 23 23 HIS H H 23 8.601 8.699 -0.098 1
1 233 . 6 1 1 A 23 23 HIS HA H 23 4.848 4.276 0.572 1
1 237 . 6 1 1 A 23 23 HIS CA C 23 55.800 58.922 -3.122 1
1 238 . 6 1 1 A 23 23 HIS CB C 23 27.860 30.102 -2.242 1
1 240 . 6 1 1 A 23 23 HIS N N 23 123.395 125.649 -2.254 1
1 241 . 6 1 1 A 24 24 SER H H 24 8.526 8.066 0.460 1
1 242 . 6 1 1 A 24 24 SER HA H 24 4.105 3.978 0.127 1
1 244 . 6 1 1 A 24 24 SER CA C 24 60.870 61.544 -0.674 1
1 245 . 6 1 1 A 24 24 SER CB C 24 62.510 63.165 -0.655 1
1 246 . 6 1 1 A 24 24 SER N N 24 117.035 115.325 1.710 1
1 247 . 6 1 1 A 25 25 HIS H H 25 7.450 7.689 -0.239 1
1 248 . 6 1 1 A 25 25 HIS HA H 25 4.494 4.231 0.263 1
1 252 . 6 1 1 A 25 25 HIS CA C 25 53.900 55.692 -1.792 1
1 253 . 6 1 1 A 25 25 HIS CB C 25 28.320 29.189 -0.869 1
1 255 . 6 1 1 A 25 25 HIS N N 25 117.560 116.901 0.659 1
1 256 . 6 1 1 A 26 26 GLY H H 26 6.926 7.318 -0.392 1
1 257 . 6 1 1 A 26 26 GLY HA2 H 26 3.587 3.899 -0.312 1
1 258 . 6 1 1 A 26 26 GLY HA3 H 26 4.362 3.961 0.401 1
1 259 . 6 1 1 A 26 26 GLY CA C 26 43.730 43.688 0.042 1
1 260 . 6 1 1 A 26 26 GLY N N 26 103.120 107.007 -3.887 1
1 261 . 6 1 1 A 27 27 LEU H H 27 8.579 8.357 0.222 1
1 262 . 6 1 1 A 27 27 LEU HA H 27 4.327 4.805 -0.478 1
1 271 . 6 1 1 A 27 27 LEU CA C 27 54.520 54.628 -0.108 1
1 272 . 6 1 1 A 27 27 LEU CB C 27 44.250 43.237 1.013 1
1 276 . 6 1 1 A 27 27 LEU N N 27 121.940 121.524 0.416 1
1 277 . 6 1 1 A 28 28 ALA H H 28 7.776 8.533 -0.757 1
1 278 . 6 1 1 A 28 28 ALA HA H 28 5.231 5.423 -0.192 1
1 282 . 6 1 1 A 28 28 ALA CA C 28 50.990 51.446 -0.456 1
1 283 . 6 1 1 A 28 28 ALA CB C 28 22.580 21.914 0.666 1
1 284 . 6 1 1 A 28 28 ALA N N 28 123.020 128.428 -5.408 1
1 285 . 6 1 1 A 29 29 ALA H H 29 9.231 8.835 0.396 1
1 286 . 6 1 1 A 29 29 ALA HA H 29 4.857 5.342 -0.485 1
1 290 . 6 1 1 A 29 29 ALA CA C 29 50.661 50.439 0.222 1
1 291 . 6 1 1 A 29 29 ALA CB C 29 21.140 23.541 -2.401 1
1 292 . 6 1 1 A 29 29 ALA N N 29 125.760 124.504 1.256 1
1 293 . 6 1 1 A 30 30 PHE H H 30 9.083 9.080 0.003 1
1 294 . 6 1 1 A 30 30 PHE HA H 30 3.397 4.515 -1.118 1
1 301 . 6 1 1 A 30 30 PHE CA C 30 59.895 58.358 1.537 1
1 302 . 6 1 1 A 30 30 PHE CB C 30 38.810 39.239 -0.429 1
1 305 . 6 1 1 A 30 30 PHE N N 30 126.590 121.863 4.727 1
1 306 . 6 1 1 A 31 31 ARG H H 31 8.102 8.476 -0.374 1
1 307 . 6 1 1 A 31 31 ARG HA H 31 3.941 4.134 -0.193 1
1 314 . 6 1 1 A 31 31 ARG CA C 31 53.120 54.470 -1.350 1
1 315 . 6 1 1 A 31 31 ARG CB C 31 31.665 30.532 1.133 1
1 318 . 6 1 1 A 31 31 ARG N N 31 125.007 127.575 -2.568 1
1 320 . 6 1 1 A 32 32 GLY H H 32 5.465 6.449 -0.984 1
1 321 . 6 1 1 A 32 32 GLY HA2 H 32 3.264 3.447 -0.183 1
1 322 . 6 1 1 A 32 32 GLY HA3 H 32 4.670 3.677 0.993 1
1 323 . 6 1 1 A 32 32 GLY CA C 32 45.150 43.364 1.786 1
1 324 . 6 1 1 A 32 32 GLY N N 32 101.400 108.411 -7.011 1
1 325 . 6 1 1 A 33 33 ARG H H 33 8.345 8.119 0.226 1
1 326 . 6 1 1 A 33 33 ARG HA H 33 5.158 5.127 0.031 1
1 332 . 6 1 1 A 33 33 ARG CA C 33 54.924 54.691 0.233 1
1 333 . 6 1 1 A 33 33 ARG CB C 33 34.180 33.620 0.560 1
1 336 . 6 1 1 A 33 33 ARG N N 33 116.822 119.031 -2.209 1
1 338 . 6 1 1 A 34 34 GLY H H 34 8.549 8.080 0.469 1
1 339 . 6 1 1 A 34 34 GLY HA2 H 34 5.154 4.439 0.715 1
1 340 . 6 1 1 A 34 34 GLY HA3 H 34 3.752 4.503 -0.751 1
1 341 . 6 1 1 A 34 34 GLY CA C 34 45.620 45.797 -0.177 1
1 342 . 6 1 1 A 34 34 GLY N N 34 107.400 108.124 -0.724 1
1 343 . 6 1 1 A 35 35 CYS H H 35 8.803 8.291 0.512 1
1 344 . 6 1 1 A 35 35 CYS HA H 35 5.893 5.628 0.265 1
1 347 . 6 1 1 A 35 35 CYS CA C 35 55.420 57.528 -2.108 1
1 348 . 6 1 1 A 35 35 CYS CB C 35 30.960 31.504 -0.544 1
1 349 . 6 1 1 A 35 35 CYS N N 35 117.781 117.217 0.564 1
1 350 . 6 1 1 A 36 36 THR H H 36 9.033 8.683 0.350 1
1 351 . 6 1 1 A 36 36 THR HA H 36 3.835 4.318 -0.483 1
1 356 . 6 1 1 A 36 36 THR CA C 36 64.160 62.091 2.069 1
1 357 . 6 1 1 A 36 36 THR CB C 36 68.200 68.987 -0.787 1
1 359 . 6 1 1 A 36 36 THR N N 36 117.973 116.135 1.838 1
1 360 . 6 1 1 A 37 37 VAL H H 37 7.545 8.373 -0.828 1
1 361 . 6 1 1 A 37 37 VAL HA H 37 3.709 4.038 -0.329 1
1 369 . 6 1 1 A 37 37 VAL CA C 37 65.740 64.399 1.341 1
1 370 . 6 1 1 A 37 37 VAL CB C 37 32.410 31.717 0.693 1
1 373 . 6 1 1 A 37 37 VAL N N 37 121.706 122.117 -0.411 1
1 374 . 6 1 1 A 38 38 GLU H H 38 8.540 7.692 0.848 1
1 375 . 6 1 1 A 38 38 GLU HA H 38 4.264 4.134 0.130 1
1 380 . 6 1 1 A 38 38 GLU CA C 38 54.260 56.169 -1.909 1
1 381 . 6 1 1 A 38 38 GLU CB C 38 30.770 29.818 0.952 1
1 383 . 6 1 1 A 38 38 GLU N N 38 119.219 124.095 -4.876 1
1 384 . 6 1 1 A 39 39 SER H H 39 8.692 8.191 0.501 1
1 385 . 6 1 1 A 39 39 SER HA H 39 4.035 4.351 -0.316 1
1 388 . 6 1 1 A 39 39 SER CA C 39 57.370 59.794 -2.424 1
1 389 . 6 1 1 A 39 39 SER CB C 39 63.760 63.754 0.006 1
1 390 . 6 1 1 A 39 39 SER N N 39 118.941 119.647 -0.706 1
1 391 . 6 1 1 A 40 40 PHE H H 40 8.302 9.127 -0.825 1
1 392 . 6 1 1 A 40 40 PHE HA H 40 4.986 4.908 0.078 1
1 400 . 6 1 1 A 40 40 PHE CA C 40 57.320 55.599 1.721 1
1 401 . 6 1 1 A 40 40 PHE CB C 40 44.292 42.669 1.623 1
1 405 . 6 1 1 A 40 40 PHE N N 40 119.300 121.985 -2.685 1
1 406 . 6 1 1 A 41 41 PRO HA H 41 3.828 4.021 -0.193 1
1 413 . 6 1 1 A 41 41 PRO CA C 41 62.270 62.086 0.184 1
1 414 . 6 1 1 A 41 41 PRO CB C 41 30.790 29.649 1.141 1
1 417 . 6 1 1 A 42 42 LEU H H 42 7.964 8.141 -0.177 1
1 418 . 6 1 1 A 42 42 LEU HA H 42 5.352 4.772 0.580 1
1 427 . 6 1 1 A 42 42 LEU CA C 42 53.830 54.195 -0.365 1
1 428 . 6 1 1 A 42 42 LEU CB C 42 42.380 43.238 -0.858 1
1 431 . 6 1 1 A 42 42 LEU N N 42 129.948 124.212 5.736 1
1 432 . 6 1 1 A 43 43 VAL H H 43 8.607 8.649 -0.042 1
1 433 . 6 1 1 A 43 43 VAL HA H 43 5.296 5.122 0.174 1
1 441 . 6 1 1 A 43 43 VAL CA C 43 58.040 59.809 -1.769 1
1 442 . 6 1 1 A 43 43 VAL CB C 43 35.220 34.166 1.054 1
1 445 . 6 1 1 A 43 43 VAL N N 43 117.190 122.922 -5.732 1
1 446 . 6 1 1 A 44 44 ILE H H 44 9.056 8.449 0.607 1
1 447 . 6 1 1 A 44 44 ILE HA H 44 4.426 4.931 -0.505 1
1 457 . 6 1 1 A 44 44 ILE CA C 44 61.156 59.755 1.401 1
1 458 . 6 1 1 A 44 44 ILE CB C 44 38.544 40.214 -1.670 1
1 462 . 6 1 1 A 44 44 ILE N N 44 122.963 122.438 0.525 1
1 463 . 6 1 1 A 45 45 ALA H H 45 8.701 8.563 0.138 1
1 464 . 6 1 1 A 45 45 ALA HA H 45 4.626 4.563 0.063 1
1 468 . 6 1 1 A 45 45 ALA CA C 45 51.430 50.750 0.680 1
1 469 . 6 1 1 A 45 45 ALA CB C 45 21.670 20.654 1.016 1
1 470 . 6 1 1 A 45 45 ALA N N 45 126.347 127.909 -1.562 1
1 471 . 6 1 1 A 46 46 GLY H H 46 8.486 8.735 -0.249 1
1 472 . 6 1 1 A 46 46 GLY HA2 H 46 4.587 4.212 0.375 1
1 473 . 6 1 1 A 46 46 GLY HA3 H 46 4.084 4.234 -0.150 1
1 474 . 6 1 1 A 46 46 GLY CA C 46 44.500 45.385 -0.885 1
1 475 . 6 1 1 A 46 46 GLY N N 46 108.262 106.875 1.387 1
1 476 . 6 1 1 A 47 47 GLU H H 47 8.938 8.875 0.063 1
1 477 . 6 1 1 A 47 47 GLU HA H 47 4.003 4.460 -0.457 1
1 480 . 6 1 1 A 47 47 GLU CA C 47 58.820 56.362 2.458 1
1 481 . 6 1 1 A 47 47 GLU CB C 47 29.500 30.734 -1.234 1
1 482 . 6 1 1 A 47 47 GLU N N 47 118.010 124.410 -6.400 1
1 483 . 6 1 1 A 48 48 HIS H H 48 8.742 7.982 0.760 1
1 484 . 6 1 1 A 48 48 HIS HA H 48 4.704 4.675 0.029 1
1 488 . 6 1 1 A 48 48 HIS CA C 48 55.130 55.588 -0.458 1
1 489 . 6 1 1 A 48 48 HIS CB C 48 29.110 30.283 -1.173 1
1 491 . 6 1 1 A 48 48 HIS N N 48 115.306 115.883 -0.577 1
1 492 . 6 1 1 A 49 49 ASN H H 49 7.810 8.156 -0.346 1
1 493 . 6 1 1 A 49 49 ASN HA H 49 3.878 4.180 -0.302 1
1 498 . 6 1 1 A 49 49 ASN CA C 49 53.876 54.289 -0.413 1
1 499 . 6 1 1 A 49 49 ASN CB C 49 36.030 36.846 -0.816 1
1 500 . 6 1 1 A 49 49 ASN N N 49 114.919 114.023 0.896 1
1 502 . 6 1 1 A 50 50 ILE H H 50 7.046 8.082 -1.036 1
1 503 . 6 1 1 A 50 50 ILE HA H 50 4.022 4.567 -0.545 1
1 513 . 6 1 1 A 50 50 ILE CA C 50 59.430 58.192 1.238 1
1 514 . 6 1 1 A 50 50 ILE CB C 50 41.326 38.362 2.964 1
1 518 . 6 1 1 A 50 50 ILE N N 50 120.995 120.017 0.978 1
1 519 . 6 1 1 A 51 51 PRO HA H 51 5.194 4.837 0.357 1
1 521 . 6 1 1 A 51 51 PRO CA C 51 60.560 62.221 -1.661 1
1 522 . 6 1 1 A 51 51 PRO CB C 51 31.841 32.322 -0.481 1
1 523 . 6 1 1 A 52 52 TRP H H 52 9.564 8.289 1.275 1
1 524 . 6 1 1 A 52 52 TRP HA H 52 4.805 5.117 -0.312 1
1 532 . 6 1 1 A 52 52 TRP CA C 52 56.550 55.838 0.712 1
1 533 . 6 1 1 A 52 52 TRP CB C 52 32.300 31.765 0.535 1
1 539 . 6 1 1 A 52 52 TRP N N 52 123.070 122.130 0.940 1
1 541 . 6 1 1 A 53 53 LEU H H 53 7.227 8.890 -1.663 1
1 542 . 6 1 1 A 53 53 LEU HA H 53 4.863 4.584 0.279 1
1 552 . 6 1 1 A 53 53 LEU CA C 53 53.790 54.697 -0.907 1
1 553 . 6 1 1 A 53 53 LEU CB C 53 42.250 42.196 0.054 1
1 557 . 6 1 1 A 53 53 LEU N N 53 124.700 127.184 -2.484 1
1 558 . 6 1 1 A 54 54 LEU H H 54 9.021 8.771 0.250 1
1 559 . 6 1 1 A 54 54 LEU HA H 54 4.618 4.410 0.208 1
1 569 . 6 1 1 A 54 54 LEU CA C 54 54.030 54.564 -0.534 1
1 570 . 6 1 1 A 54 54 LEU CB C 54 40.360 41.911 -1.551 1
1 574 . 6 1 1 A 54 54 LEU N N 54 126.893 128.964 -2.071 1
1 575 . 6 1 1 A 55 55 TYR H H 55 8.884 8.924 -0.040 1
1 576 . 6 1 1 A 55 55 TYR HA H 55 4.562 4.841 -0.279 1
1 583 . 6 1 1 A 55 55 TYR CA C 55 58.420 56.654 1.766 1
1 584 . 6 1 1 A 55 55 TYR CB C 55 36.180 38.396 -2.216 1
1 587 . 6 1 1 A 55 55 TYR N N 55 123.430 125.208 -1.778 1
1 588 . 6 1 1 A 56 56 LEU H H 56 8.192 8.458 -0.266 1
1 589 . 6 1 1 A 56 56 LEU HA H 56 4.530 4.824 -0.294 1
1 598 . 6 1 1 A 56 56 LEU CA C 56 51.720 51.751 -0.031 1
1 599 . 6 1 1 A 56 56 LEU CB C 56 43.260 43.502 -0.242 1
1 602 . 6 1 1 A 56 56 LEU N N 56 130.832 128.441 2.391 1
1 603 . 6 1 1 A 57 57 PRO HA H 57 3.779 3.884 -0.105 1
1 610 . 6 1 1 A 57 57 PRO CA C 57 62.240 63.090 -0.850 1
1 611 . 6 1 1 A 57 57 PRO CB C 57 31.130 32.017 -0.887 1
1 614 . 6 1 1 A 58 58 GLY H H 58 8.908 8.512 0.396 1
1 615 . 6 1 1 A 58 58 GLY HA2 H 58 4.027 3.783 0.244 1
1 616 . 6 1 1 A 58 58 GLY HA3 H 58 3.433 3.801 -0.368 1
1 617 . 6 1 1 A 58 58 GLY CA C 58 44.860 45.294 -0.434 1
1 618 . 6 1 1 A 58 58 GLY N N 58 112.351 110.149 2.202 1
1 619 . 6 1 1 A 59 59 LYS H H 59 7.214 7.120 0.094 1
1 620 . 6 1 1 A 59 59 LYS HA H 59 4.386 4.773 -0.387 1
1 629 . 6 1 1 A 59 59 LYS CA C 59 53.760 55.469 -1.709 1
1 630 . 6 1 1 A 59 59 LYS CB C 59 34.590 35.314 -0.724 1
1 634 . 6 1 1 A 59 59 LYS N N 59 121.458 120.797 0.661 1
1 635 . 6 1 1 A 60 60 GLY H H 60 8.312 8.113 0.199 1
1 636 . 6 1 1 A 60 60 GLY HA2 H 60 3.379 3.547 -0.168 1
1 637 . 6 1 1 A 60 60 GLY HA3 H 60 3.229 3.752 -0.523 1
1 638 . 6 1 1 A 60 60 GLY CA C 60 45.350 44.032 1.318 1
1 639 . 6 1 1 A 60 60 GLY N N 60 103.990 112.762 -8.772 1
1 640 . 6 1 1 A 61 61 HIS H H 61 7.880 8.181 -0.301 1
1 641 . 6 1 1 A 61 61 HIS HA H 61 4.868 5.379 -0.511 1
1 645 . 6 1 1 A 61 61 HIS CA C 61 53.920 54.651 -0.731 1
1 646 . 6 1 1 A 61 61 HIS CB C 61 33.020 34.090 -1.070 1
1 648 . 6 1 1 A 61 61 HIS N N 61 121.221 119.213 2.008 1
1 649 . 6 1 1 A 62 62 CYS H H 62 8.760 8.634 0.126 1
1 650 . 6 1 1 A 62 62 CYS HA H 62 4.248 4.694 -0.446 1
1 653 . 6 1 1 A 62 62 CYS CA C 62 61.730 57.907 3.823 1
1 654 . 6 1 1 A 62 62 CYS CB C 62 26.560 27.721 -1.161 1
1 655 . 6 1 1 A 62 62 CYS N N 62 121.842 121.169 0.673 1
1 656 . 6 1 1 A 63 63 VAL H H 63 8.109 8.657 -0.548 1
1 657 . 6 1 1 A 63 63 VAL HA H 63 4.869 4.563 0.306 1
1 665 . 6 1 1 A 63 63 VAL CA C 63 62.210 63.021 -0.811 1
1 666 . 6 1 1 A 63 63 VAL CB C 63 34.780 31.538 3.242 1
1 669 . 6 1 1 A 63 63 VAL N N 63 127.029 127.242 -0.213 1
1 670 . 6 1 1 A 64 64 THR H H 64 8.453 8.360 0.093 1
1 671 . 6 1 1 A 64 64 THR HA H 64 5.349 4.891 0.458 1
1 676 . 6 1 1 A 64 64 THR CA C 64 61.100 61.798 -0.698 1
1 677 . 6 1 1 A 64 64 THR CB C 64 70.790 70.618 0.172 1
1 679 . 6 1 1 A 64 64 THR N N 64 116.830 120.570 -3.740 1
1 680 . 6 1 1 A 65 65 GLY H H 65 8.663 8.296 0.367 1
1 681 . 6 1 1 A 65 65 GLY HA2 H 65 4.085 3.562 0.523 1
1 682 . 6 1 1 A 65 65 GLY HA3 H 65 3.480 4.109 -0.629 1
1 683 . 6 1 1 A 65 65 GLY CA C 65 46.570 45.936 0.634 1
1 684 . 6 1 1 A 65 65 GLY N N 65 107.680 108.767 -1.087 1
1 685 . 6 1 1 A 66 66 GLU H H 66 8.574 7.520 1.054 1
1 686 . 6 1 1 A 66 66 GLU HA H 66 5.150 5.171 -0.021 1
1 689 . 6 1 1 A 66 66 GLU CA C 66 54.450 54.879 -0.429 1
1 690 . 6 1 1 A 66 66 GLU CB C 66 37.328 34.020 3.308 1
1 691 . 6 1 1 A 66 66 GLU N N 66 120.921 119.896 1.025 1
1 692 . 6 1 1 A 67 67 ILE H H 67 8.623 8.078 0.545 1
1 693 . 6 1 1 A 67 67 ILE HA H 67 5.149 4.776 0.373 1
1 703 . 6 1 1 A 67 67 ILE CA C 67 60.180 60.013 0.167 1
1 704 . 6 1 1 A 67 67 ILE CB C 67 40.210 39.566 0.644 1
1 708 . 6 1 1 A 67 67 ILE N N 67 121.340 122.168 -0.828 1
1 709 . 6 1 1 A 68 68 TYR H H 68 9.196 8.809 0.387 1
1 710 . 6 1 1 A 68 68 TYR HA H 68 5.001 5.340 -0.339 1
1 717 . 6 1 1 A 68 68 TYR CA C 68 56.270 56.557 -0.287 1
1 718 . 6 1 1 A 68 68 TYR CB C 68 41.480 40.417 1.063 1
1 721 . 6 1 1 A 68 68 TYR N N 68 123.650 126.244 -2.594 1
1 722 . 6 1 1 A 69 69 GLU H H 69 9.302 9.092 0.210 1
1 723 . 6 1 1 A 69 69 GLU HA H 69 5.066 4.101 0.965 1
1 728 . 6 1 1 A 69 69 GLU CA C 69 55.180 57.123 -1.943 1
1 729 . 6 1 1 A 69 69 GLU CB C 69 31.420 30.051 1.369 1
1 731 . 6 1 1 A 69 69 GLU N N 69 124.090 125.108 -1.018 1
1 732 . 6 1 1 A 70 70 VAL H H 70 8.908 8.696 0.212 1
1 733 . 6 1 1 A 70 70 VAL HA H 70 5.556 5.280 0.276 1
1 741 . 6 1 1 A 70 70 VAL CA C 70 57.780 59.377 -1.597 1
1 742 . 6 1 1 A 70 70 VAL CB C 70 35.400 34.916 0.484 1
1 745 . 6 1 1 A 70 70 VAL N N 70 119.540 121.122 -1.582 1
1 746 . 6 1 1 A 71 71 ASP H H 71 7.939 8.536 -0.597 1
1 747 . 6 1 1 A 71 71 ASP HA H 71 4.909 4.863 0.046 1
1 750 . 6 1 1 A 71 71 ASP CA C 71 51.240 53.400 -2.160 1
1 751 . 6 1 1 A 71 71 ASP CB C 71 42.210 41.636 0.574 1
1 752 . 6 1 1 A 71 71 ASP N N 71 120.720 122.299 -1.579 1
1 753 . 6 1 1 A 72 72 GLU H H 72 8.364 8.733 -0.369 1
1 754 . 6 1 1 A 72 72 GLU HA H 72 3.869 3.961 -0.092 1
1 757 . 6 1 1 A 72 72 GLU CA C 72 59.775 59.875 -0.100 1
1 758 . 6 1 1 A 72 72 GLU CB C 72 29.140 29.504 -0.364 1
1 760 . 6 1 1 A 72 72 GLU N N 72 117.910 121.519 -3.609 1
1 761 . 6 1 1 A 73 73 GLN H H 73 7.960 7.986 -0.026 1
1 762 . 6 1 1 A 73 73 GLN HA H 73 3.899 4.102 -0.203 1
1 767 . 6 1 1 A 73 73 GLN CA C 73 59.570 58.826 0.744 1
1 768 . 6 1 1 A 73 73 GLN CB C 73 27.810 28.520 -0.710 1
1 770 . 6 1 1 A 73 73 GLN N N 73 119.617 119.355 0.262 1
1 772 . 6 1 1 A 74 74 MET H H 74 8.489 7.739 0.750 1
1 773 . 6 1 1 A 74 74 MET HA H 74 4.766 4.560 0.206 1
1 780 . 6 1 1 A 74 74 MET CA C 74 56.790 58.303 -1.513 1
1 781 . 6 1 1 A 74 74 MET CB C 74 31.900 32.508 -0.608 1
1 784 . 6 1 1 A 74 74 MET N N 74 121.800 119.278 2.522 1
1 785 . 6 1 1 A 75 75 LEU H H 75 8.162 8.497 -0.335 1
1 786 . 6 1 1 A 75 75 LEU HA H 75 3.897 4.097 -0.200 1
1 796 . 6 1 1 A 75 75 LEU CA C 75 58.230 57.275 0.955 1
1 797 . 6 1 1 A 75 75 LEU CB C 75 42.160 41.531 0.629 1
1 801 . 6 1 1 A 75 75 LEU N N 75 120.230 121.474 -1.244 1
1 802 . 6 1 1 A 76 76 ARG H H 76 7.824 7.997 -0.173 1
1 803 . 6 1 1 A 76 76 ARG HA H 76 3.952 4.131 -0.179 1
1 811 . 6 1 1 A 76 76 ARG CA C 76 59.270 59.017 0.253 1
1 812 . 6 1 1 A 76 76 ARG CB C 76 29.930 30.704 -0.774 1
1 815 . 6 1 1 A 76 76 ARG N N 76 116.540 119.509 -2.969 1
1 817 . 6 1 1 A 77 77 PHE H H 77 8.137 8.699 -0.562 1
1 818 . 6 1 1 A 77 77 PHE HA H 77 4.085 4.114 -0.029 1
1 825 . 6 1 1 A 77 77 PHE CA C 77 61.980 61.301 0.679 1
1 826 . 6 1 1 A 77 77 PHE CB C 77 38.530 39.087 -0.557 1
1 829 . 6 1 1 A 77 77 PHE N N 77 120.650 120.638 0.012 1
1 830 . 6 1 1 A 78 78 LEU H H 78 9.071 9.009 0.062 1
1 831 . 6 1 1 A 78 78 LEU HA H 78 3.629 4.059 -0.430 1
1 841 . 6 1 1 A 78 78 LEU CA C 78 57.730 57.512 0.218 1
1 842 . 6 1 1 A 78 78 LEU CB C 78 41.420 41.550 -0.130 1
1 846 . 6 1 1 A 78 78 LEU N N 78 122.360 119.763 2.597 1
1 847 . 6 1 1 A 79 79 ASP H H 79 8.506 8.027 0.479 1
1 848 . 6 1 1 A 79 79 ASP HA H 79 4.320 4.623 -0.303 1
1 851 . 6 1 1 A 79 79 ASP CA C 79 57.190 54.910 2.280 1
1 852 . 6 1 1 A 79 79 ASP CB C 79 39.420 40.574 -1.154 1
1 853 . 6 1 1 A 79 79 ASP N N 79 120.070 118.942 1.128 1
1 854 . 6 1 1 A 80 80 ASP H H 80 7.154 7.967 -0.813 1
1 855 . 6 1 1 A 80 80 ASP HA H 80 4.501 4.822 -0.321 1
1 858 . 6 1 1 A 80 80 ASP CA C 80 56.700 53.303 3.397 1
1 859 . 6 1 1 A 80 80 ASP CB C 80 40.660 42.050 -1.390 1
1 860 . 6 1 1 A 80 80 ASP N N 80 118.890 120.550 -1.660 1
1 861 . 6 1 1 A 81 81 PHE H H 81 8.791 7.950 0.841 1
1 862 . 6 1 1 A 81 81 PHE HA H 81 3.659 4.135 -0.476 1
1 867 . 6 1 1 A 81 81 PHE CA C 81 61.640 60.074 1.566 1
1 868 . 6 1 1 A 81 81 PHE CB C 81 40.210 38.378 1.832 1
1 870 . 6 1 1 A 81 81 PHE N N 81 125.745 118.505 7.240 1
1 871 . 6 1 1 A 82 82 GLU H H 82 8.209 7.086 1.123 1
1 872 . 6 1 1 A 82 82 GLU HA H 82 3.956 3.839 0.117 1
1 875 . 6 1 1 A 82 82 GLU CA C 82 55.060 55.757 -0.697 1
1 876 . 6 1 1 A 82 82 GLU CB C 82 28.910 28.868 0.042 1
1 878 . 6 1 1 A 82 82 GLU N N 82 115.707 118.712 -3.005 1
1 879 . 6 1 1 A 83 83 ASP H H 83 7.615 7.961 -0.346 1
1 880 . 6 1 1 A 83 83 ASP HA H 83 4.236 4.123 0.113 1
1 883 . 6 1 1 A 83 83 ASP CA C 83 54.370 55.528 -1.158 1
1 884 . 6 1 1 A 83 83 ASP CB C 83 39.400 40.786 -1.386 1
1 885 . 6 1 1 A 83 83 ASP N N 83 116.517 118.403 -1.886 1
1 886 . 6 1 1 A 84 84 CYS H H 84 8.361 7.635 0.726 1
1 887 . 6 1 1 A 84 84 CYS HA H 84 5.522 4.584 0.938 1
1 890 . 6 1 1 A 84 84 CYS CA C 84 56.617 57.804 -1.187 1
1 891 . 6 1 1 A 84 84 CYS CB C 84 27.651 27.401 0.250 1
1 892 . 6 1 1 A 84 84 CYS N N 84 119.420 118.768 0.652 1
1 893 . 6 1 1 A 85 85 PRO HA H 85 5.704 4.717 0.987 1
1 900 . 6 1 1 A 85 85 PRO CA C 85 64.355 64.141 0.214 1
1 901 . 6 1 1 A 85 85 PRO CB C 85 33.190 31.996 1.194 1
1 904 . 6 1 1 A 86 86 SER H H 86 8.389 7.955 0.434 1
1 905 . 6 1 1 A 86 86 SER HA H 86 4.175 4.196 -0.021 1
1 907 . 6 1 1 A 86 86 SER CA C 86 62.130 61.783 0.347 1
1 908 . 6 1 1 A 86 86 SER CB C 86 63.080 62.796 0.284 1
1 909 . 6 1 1 A 86 86 SER N N 86 122.195 114.219 7.976 1
1 910 . 6 1 1 A 87 87 MET H H 87 8.576 8.067 0.509 1
1 911 . 6 1 1 A 87 87 MET HA H 87 4.475 4.307 0.168 1
1 918 . 6 1 1 A 87 87 MET CA C 87 57.520 58.648 -1.128 1
1 919 . 6 1 1 A 87 87 MET CB C 87 33.210 34.135 -0.925 1
1 922 . 6 1 1 A 87 87 MET N N 87 121.299 119.907 1.392 1
1 923 . 6 1 1 A 88 88 TYR H H 88 6.778 7.932 -1.154 1
1 924 . 6 1 1 A 88 88 TYR HA H 88 5.023 5.237 -0.214 1
1 931 . 6 1 1 A 88 88 TYR CA C 88 56.300 56.785 -0.485 1
1 932 . 6 1 1 A 88 88 TYR CB C 88 42.530 42.257 0.273 1
1 935 . 6 1 1 A 88 88 TYR N N 88 113.420 114.974 -1.554 1
1 936 . 6 1 1 A 89 89 GLN H H 89 9.567 8.995 0.572 1
1 937 . 6 1 1 A 89 89 GLN HA H 89 4.857 4.719 0.138 1
1 944 . 6 1 1 A 89 89 GLN CA C 89 55.870 55.312 0.558 1
1 945 . 6 1 1 A 89 89 GLN CB C 89 30.430 30.486 -0.056 1
1 947 . 6 1 1 A 89 89 GLN N N 89 115.440 119.293 -3.853 1
1 949 . 6 1 1 A 90 90 ARG H H 90 8.772 8.238 0.534 1
1 950 . 6 1 1 A 90 90 ARG HA H 90 4.499 4.198 0.301 1
1 958 . 6 1 1 A 90 90 ARG CA C 90 56.620 56.973 -0.353 1
1 959 . 6 1 1 A 90 90 ARG CB C 90 29.020 29.183 -0.163 1
1 962 . 6 1 1 A 90 90 ARG N N 90 123.860 119.735 4.125 1
1 964 . 6 1 1 A 91 91 THR H H 91 9.217 9.285 -0.068 1
1 965 . 6 1 1 A 91 91 THR HA H 91 4.518 4.964 -0.446 1
1 970 . 6 1 1 A 91 91 THR CA C 91 60.570 61.020 -0.450 1
1 971 . 6 1 1 A 91 91 THR CB C 91 71.050 72.879 -1.829 1
1 973 . 6 1 1 A 91 91 THR N N 91 125.064 120.129 4.935 1
1 974 . 6 1 1 A 92 92 ALA H H 92 8.655 8.760 -0.105 1
1 975 . 6 1 1 A 92 92 ALA HA H 92 5.041 5.341 -0.300 1
1 979 . 6 1 1 A 92 92 ALA CA C 92 51.320 50.136 1.184 1
1 980 . 6 1 1 A 92 92 ALA CB C 92 19.480 20.857 -1.377 1
1 981 . 6 1 1 A 92 92 ALA N N 92 126.963 125.200 1.763 1
1 982 . 6 1 1 A 93 93 LEU H H 93 9.005 8.596 0.409 1
1 983 . 6 1 1 A 93 93 LEU HA H 93 4.720 5.527 -0.807 1
1 993 . 6 1 1 A 93 93 LEU CA C 93 53.750 53.120 0.630 1
1 994 . 6 1 1 A 93 93 LEU CB C 93 45.340 45.815 -0.475 1
1 998 . 6 1 1 A 93 93 LEU N N 93 122.440 119.106 3.334 1
1 999 . 6 1 1 A 94 94 GLN H H 94 8.360 8.746 -0.386 1
1 1000 . 6 1 1 A 94 94 GLN HA H 94 4.229 5.556 -1.327 1
1 1005 . 6 1 1 A 94 94 GLN CA C 94 56.040 54.441 1.599 1
1 1006 . 6 1 1 A 94 94 GLN CB C 94 28.780 32.779 -3.999 1
1 1008 . 6 1 1 A 94 94 GLN N N 94 119.357 118.839 0.518 1
1 1010 . 6 1 1 A 95 95 VAL H H 95 8.612 8.591 0.021 1
1 1011 . 6 1 1 A 95 95 VAL HA H 95 4.013 4.603 -0.590 1
1 1019 . 6 1 1 A 95 95 VAL CA C 95 61.440 60.141 1.299 1
1 1020 . 6 1 1 A 95 95 VAL CB C 95 35.110 34.901 0.209 1
1 1023 . 6 1 1 A 95 95 VAL N N 95 126.928 123.448 3.480 1
1 1024 . 6 1 1 A 96 96 GLN H H 96 9.222 8.996 0.226 1
1 1025 . 6 1 1 A 96 96 GLN HA H 96 4.279 4.425 -0.146 1
1 1032 . 6 1 1 A 96 96 GLN CA C 96 55.150 56.369 -1.219 1
1 1033 . 6 1 1 A 96 96 GLN CB C 96 29.100 29.078 0.022 1
1 1035 . 6 1 1 A 96 96 GLN N N 96 128.360 129.191 -0.831 1
1 1037 . 6 1 1 A 97 97 VAL H H 97 8.233 9.118 -0.885 1
1 1038 . 6 1 1 A 97 97 VAL HA H 97 3.674 4.100 -0.426 1
1 1046 . 6 1 1 A 97 97 VAL CA C 97 64.040 63.230 0.810 1
1 1047 . 6 1 1 A 97 97 VAL CB C 97 31.920 30.809 1.111 1
1 1050 . 6 1 1 A 97 97 VAL N N 97 128.120 126.854 1.266 1
1 1051 . 6 1 1 A 98 98 LEU H H 98 8.880 8.889 -0.009 1
1 1052 . 6 1 1 A 98 98 LEU HA H 98 4.472 4.310 0.162 1
1 1059 . 6 1 1 A 98 98 LEU CA C 98 55.641 56.327 -0.686 1
1 1060 . 6 1 1 A 98 98 LEU CB C 98 42.510 42.872 -0.362 1
1 1063 . 6 1 1 A 98 98 LEU N N 98 128.877 129.208 -0.331 1
1 1064 . 6 1 1 A 99 99 GLU H H 99 7.682 7.437 0.245 1
1 1065 . 6 1 1 A 99 99 GLU HA H 99 4.403 4.707 -0.304 1
1 1070 . 6 1 1 A 99 99 GLU CA C 99 56.310 56.091 0.219 1
1 1071 . 6 1 1 A 99 99 GLU CB C 99 32.790 33.383 -0.593 1
1 1073 . 6 1 1 A 99 99 GLU N N 99 118.210 117.822 0.388 1
1 1074 . 6 1 1 A 100 100 TRP H H 100 8.883 8.747 0.136 1
1 1075 . 6 1 1 A 100 100 TRP HA H 100 5.205 5.348 -0.143 1
1 1084 . 6 1 1 A 100 100 TRP CA C 100 55.982 55.477 0.505 1
1 1085 . 6 1 1 A 100 100 TRP CB C 100 32.430 32.891 -0.461 1
1 1091 . 6 1 1 A 100 100 TRP N N 100 126.421 127.899 -1.478 1
1 1093 . 6 1 1 A 101 101 GLU H H 101 8.116 8.131 -0.015 1
1 1094 . 6 1 1 A 101 101 GLU HA H 101 4.462 4.589 -0.127 1
1 1098 . 6 1 1 A 101 101 GLU CA C 101 55.050 55.072 -0.022 1
1 1099 . 6 1 1 A 101 101 GLU CB C 101 30.950 31.034 -0.084 1
1 1101 . 6 1 1 A 101 101 GLU N N 101 128.535 126.217 2.318 1
1 1102 . 6 1 1 A 102 102 GLY H H 102 7.614 8.106 -0.492 1
1 1103 . 6 1 1 A 102 102 GLY HA2 H 102 3.853 3.993 -0.140 1
1 1104 . 6 1 1 A 102 102 GLY HA3 H 102 3.905 4.073 -0.168 1
1 1105 . 6 1 1 A 102 102 GLY CA C 102 44.440 43.600 0.840 1
1 1106 . 6 1 1 A 102 102 GLY N N 102 108.953 111.851 -2.898 1
1 1107 . 6 1 1 A 103 103 ASP H H 103 8.261 8.446 -0.185 1
1 1108 . 6 1 1 A 103 103 ASP HA H 103 4.641 4.486 0.155 1
1 1111 . 6 1 1 A 103 103 ASP CA C 103 54.530 55.651 -1.121 1
1 1112 . 6 1 1 A 103 103 ASP CB C 103 41.690 40.958 0.732 1
1 1113 . 6 1 1 A 103 103 ASP N N 103 118.730 121.250 -2.520 1
1 1114 . 6 1 1 A 104 104 GLY H H 104 8.526 8.981 -0.455 1
1 1115 . 6 1 1 A 104 104 GLY HA2 H 104 3.719 3.953 -0.234 1
1 1116 . 6 1 1 A 104 104 GLY HA3 H 104 3.892 4.058 -0.166 1
1 1117 . 6 1 1 A 104 104 GLY CA C 104 45.960 46.686 -0.726 1
1 1118 . 6 1 1 A 104 104 GLY N N 104 109.230 113.709 -4.479 1
1 1119 . 6 1 1 A 105 105 ASP H H 105 7.806 7.975 -0.169 1
1 1120 . 6 1 1 A 105 105 ASP HA H 105 3.381 4.272 -0.891 1
1 1123 . 6 1 1 A 105 105 ASP CA C 105 51.020 50.326 0.694 1
1 1124 . 6 1 1 A 105 105 ASP CB C 105 41.406 40.740 0.666 1
1 1125 . 6 1 1 A 105 105 ASP N N 105 119.739 119.760 -0.021 1
1 1126 . 6 1 1 A 106 106 PRO HA H 106 4.065 4.161 -0.096 1
1 1133 . 6 1 1 A 106 106 PRO CA C 106 62.970 63.254 -0.284 1
1 1134 . 6 1 1 A 106 106 PRO CB C 106 31.660 31.957 -0.297 1
1 1137 . 6 1 1 A 107 107 GLY H H 107 7.863 7.775 0.088 1
1 1138 . 6 1 1 A 107 107 GLY HA2 H 107 3.401 3.969 -0.568 1
1 1139 . 6 1 1 A 107 107 GLY HA3 H 107 4.103 3.971 0.132 1
1 1140 . 6 1 1 A 107 107 GLY CA C 107 44.170 43.693 0.477 1
1 1141 . 6 1 1 A 107 107 GLY N N 107 109.610 109.742 -0.132 1
1 1142 . 6 1 1 A 108 108 ASP H H 108 8.171 8.573 -0.402 1
1 1143 . 6 1 1 A 108 108 ASP HA H 108 4.283 4.505 -0.222 1
1 1145 . 6 1 1 A 108 108 ASP CA C 108 56.430 55.070 1.360 1
1 1146 . 6 1 1 A 108 108 ASP CB C 108 41.490 41.431 0.059 1
1 1147 . 6 1 1 A 108 108 ASP N N 108 119.264 122.876 -3.612 1
1 1148 . 6 1 1 A 109 109 SER H H 109 7.560 7.760 -0.200 1
1 1149 . 6 1 1 A 109 109 SER HA H 109 5.188 5.260 -0.072 1
1 1152 . 6 1 1 A 109 109 SER CA C 109 56.740 57.359 -0.619 1
1 1153 . 6 1 1 A 109 109 SER CB C 109 65.780 65.863 -0.083 1
1 1154 . 6 1 1 A 109 109 SER N N 109 110.810 111.645 -0.835 1
1 1155 . 6 1 1 A 110 110 VAL H H 110 8.932 9.030 -0.098 1
1 1156 . 6 1 1 A 110 110 VAL HA H 110 4.262 4.880 -0.618 1
1 1164 . 6 1 1 A 110 110 VAL CA C 110 59.470 58.579 0.891 1
1 1165 . 6 1 1 A 110 110 VAL CB C 110 35.400 35.368 0.032 1
1 1168 . 6 1 1 A 110 110 VAL N N 110 118.530 116.017 2.513 1
1 1169 . 6 1 1 A 111 111 GLN H H 111 8.468 8.665 -0.197 1
1 1170 . 6 1 1 A 111 111 GLN HA H 111 4.422 4.792 -0.370 1
1 1177 . 6 1 1 A 111 111 GLN CA C 111 55.960 54.292 1.668 1
1 1178 . 6 1 1 A 111 111 GLN CB C 111 29.470 28.663 0.807 1
1 1180 . 6 1 1 A 111 111 GLN N N 111 127.378 122.400 4.978 1
1 1182 . 6 1 1 A 112 112 CYS H H 112 8.785 8.103 0.682 1
1 1183 . 6 1 1 A 112 112 CYS HA H 112 4.782 4.553 0.229 1
1 1186 . 6 1 1 A 112 112 CYS CA C 112 57.100 58.831 -1.731 1
1 1187 . 6 1 1 A 112 112 CYS CB C 112 33.700 28.733 4.967 1
1 1188 . 6 1 1 A 112 112 CYS N N 112 122.300 124.503 -2.203 1
1 1189 . 6 1 1 A 113 113 PHE H H 113 8.838 8.461 0.377 1
1 1190 . 6 1 1 A 113 113 PHE HA H 113 5.154 5.063 0.091 1
1 1197 . 6 1 1 A 113 113 PHE CA C 113 58.650 57.694 0.956 1
1 1198 . 6 1 1 A 113 113 PHE CB C 113 40.210 40.441 -0.231 1
1 1201 . 6 1 1 A 113 113 PHE N N 113 118.974 121.134 -2.160 1
1 1202 . 6 1 1 A 114 114 VAL H H 114 9.079 8.998 0.081 1
1 1203 . 6 1 1 A 114 114 VAL HA H 114 4.472 4.608 -0.136 1
1 1211 . 6 1 1 A 114 114 VAL CA C 114 60.650 61.306 -0.656 1
1 1212 . 6 1 1 A 114 114 VAL CB C 114 35.970 35.382 0.588 1
1 1215 . 6 1 1 A 114 114 VAL N N 114 121.660 121.610 0.050 1
1 1216 . 6 1 1 A 115 115 TYR H H 115 9.672 8.557 1.115 1
1 1217 . 6 1 1 A 115 115 TYR HA H 115 4.988 4.629 0.359 1
1 1224 . 6 1 1 A 115 115 TYR CA C 115 59.240 59.006 0.234 1
1 1225 . 6 1 1 A 115 115 TYR CB C 115 36.925 38.539 -1.614 1
1 1228 . 6 1 1 A 115 115 TYR N N 115 127.830 126.228 1.602 1
1 1229 . 6 1 1 A 116 116 THR H H 116 9.061 8.810 0.251 1
1 1230 . 6 1 1 A 116 116 THR HA H 116 5.435 5.513 -0.078 1
1 1235 . 6 1 1 A 116 116 THR CA C 116 60.130 60.319 -0.189 1
1 1236 . 6 1 1 A 116 116 THR CB C 116 71.910 72.565 -0.655 1
1 1238 . 6 1 1 A 116 116 THR N N 116 119.130 115.138 3.992 1
1 1239 . 6 1 1 A 117 117 THR H H 117 8.707 8.574 0.133 1
1 1240 . 6 1 1 A 117 117 THR HA H 117 5.561 5.164 0.397 1
1 1245 . 6 1 1 A 117 117 THR CA C 117 60.160 60.157 0.003 1
1 1246 . 6 1 1 A 117 117 THR CB C 117 70.170 71.682 -1.512 1
1 1248 . 6 1 1 A 117 117 THR N N 117 111.190 115.044 -3.854 1
1 1249 . 6 1 1 A 118 118 ALA H H 118 9.257 8.622 0.635 1
1 1250 . 6 1 1 A 118 118 ALA HA H 118 5.033 4.839 0.194 1
1 1254 . 6 1 1 A 118 118 ALA CA C 118 51.550 51.951 -0.401 1
1 1255 . 6 1 1 A 118 118 ALA CB C 118 20.050 20.511 -0.461 1
1 1256 . 6 1 1 A 118 118 ALA N N 118 132.010 127.126 4.884 1
1 1257 . 6 1 1 A 119 119 THR H H 119 8.628 7.346 1.282 1
1 1258 . 6 1 1 A 119 119 THR HA H 119 4.143 4.244 -0.101 1
1 1263 . 6 1 1 A 119 119 THR CA C 119 60.090 60.215 -0.125 1
1 1264 . 6 1 1 A 119 119 THR CB C 119 68.056 68.960 -0.904 1
1 1266 . 6 1 1 A 119 119 THR N N 119 114.350 112.114 2.236 1
1 1267 . 6 1 1 A 120 120 TYR H H 120 6.281 7.209 -0.928 1
1 1268 . 6 1 1 A 120 120 TYR HA H 120 3.594 4.299 -0.705 1
1 1273 . 6 1 1 A 120 120 TYR CA C 120 53.530 57.580 -4.050 1
1 1274 . 6 1 1 A 120 120 TYR CB C 120 40.072 38.276 1.796 1
1 1276 . 6 1 1 A 120 120 TYR N N 120 117.205 124.599 -7.394 1
1 1277 . 6 1 1 A 121 121 ALA HA H 121 5.030 4.001 1.029 1
1 1278 . 6 1 1 A 121 121 ALA CA C 121 51.536 53.909 -2.373 1
1 1279 . 6 1 1 A 122 122 PRO HA H 122 4.059 4.236 -0.177 1
1 1285 . 6 1 1 A 122 122 PRO CA C 122 65.435 64.905 0.530 1
1 1286 . 6 1 1 A 122 122 PRO CB C 122 31.680 32.176 -0.496 1
1 1289 . 6 1 1 A 123 123 GLU H H 123 9.336 8.945 0.391 1
1 1290 . 6 1 1 A 123 123 GLU HA H 123 4.169 4.338 -0.169 1
1 1294 . 6 1 1 A 123 123 GLU CA C 123 59.100 59.195 -0.095 1
1 1295 . 6 1 1 A 123 123 GLU CB C 123 27.940 28.916 -0.976 1
1 1297 . 6 1 1 A 123 123 GLU N N 123 115.528 115.722 -0.194 1
1 1298 . 6 1 1 A 124 124 TRP H H 124 8.560 7.837 0.723 1
1 1299 . 6 1 1 A 124 124 TRP HA H 124 4.671 4.602 0.069 1
1 1308 . 6 1 1 A 124 124 TRP CA C 124 57.370 59.894 -2.524 1
1 1309 . 6 1 1 A 124 124 TRP CB C 124 28.310 28.634 -0.324 1
1 1315 . 6 1 1 A 124 124 TRP N N 124 123.431 120.051 3.380 1
1 1317 . 6 1 1 A 125 125 LEU H H 125 7.378 7.290 0.088 1
1 1318 . 6 1 1 A 125 125 LEU HA H 125 4.065 4.161 -0.096 1
1 1328 . 6 1 1 A 125 125 LEU CA C 125 56.060 56.805 -0.745 1
1 1329 . 6 1 1 A 125 125 LEU CB C 125 41.220 41.430 -0.210 1
1 1333 . 6 1 1 A 125 125 LEU N N 125 113.660 120.424 -6.764 1
1 1334 . 6 1 1 A 126 126 PHE H H 126 7.415 7.644 -0.229 1
1 1335 . 6 1 1 A 126 126 PHE HA H 126 4.640 4.709 -0.069 1
1 1342 . 6 1 1 A 126 126 PHE CA C 126 56.940 58.055 -1.115 1
1 1343 . 6 1 1 A 126 126 PHE CB C 126 38.670 39.763 -1.093 1
1 1346 . 6 1 1 A 126 126 PHE N N 126 116.360 115.939 0.421 1
1 1347 . 6 1 1 A 127 127 LEU H H 127 7.168 7.428 -0.260 1
1 1348 . 6 1 1 A 127 127 LEU HA H 127 4.529 4.418 0.111 1
1 1358 . 6 1 1 A 127 127 LEU CA C 127 53.580 53.114 0.466 1
1 1359 . 6 1 1 A 127 127 LEU CB C 127 40.832 41.116 -0.284 1
1 1363 . 6 1 1 A 127 127 LEU N N 127 122.990 120.974 2.016 1
1 1364 . 6 1 1 A 128 128 PRO HA H 128 3.986 4.356 -0.370 1
1 1371 . 6 1 1 A 128 128 PRO CA C 128 63.140 62.085 1.055 1
1 1372 . 6 1 1 A 128 128 PRO CB C 128 31.993 32.004 -0.011 1
1 1375 . 6 1 1 A 129 129 TYR H H 129 8.070 8.205 -0.135 1
1 1376 . 6 1 1 A 129 129 TYR HA H 129 5.529 5.213 0.316 1
1 1383 . 6 1 1 A 129 129 TYR CA C 129 52.486 57.124 -4.638 1
1 1384 . 6 1 1 A 129 129 TYR CB C 129 36.760 42.170 -5.410 1
1 1387 . 6 1 1 A 129 129 TYR N N 129 120.100 119.167 0.933 1
1 1388 . 6 1 1 A 130 130 HIS H H 130 9.193 8.464 0.729 1
1 1389 . 6 1 1 A 130 130 HIS HA H 130 4.733 4.736 -0.003 1
1 1393 . 6 1 1 A 130 130 HIS CA C 130 55.920 54.619 1.301 1
1 1394 . 6 1 1 A 130 130 HIS CB C 130 32.908 33.889 -0.981 1
1 1396 . 6 1 1 A 130 130 HIS N N 130 121.985 118.499 3.486 1
1 1397 . 6 1 1 A 131 131 GLU H H 131 9.093 8.890 0.203 1
1 1398 . 6 1 1 A 131 131 GLU HA H 131 4.277 4.557 -0.280 1
1 1402 . 6 1 1 A 131 131 GLU CA C 131 58.110 56.854 1.256 1
1 1403 . 6 1 1 A 131 131 GLU CB C 131 30.700 31.800 -1.100 1
1 1405 . 6 1 1 A 131 131 GLU N N 131 122.150 121.919 0.231 1
1 1406 . 6 1 1 A 132 132 SER H H 132 7.621 7.785 -0.164 1
1 1407 . 6 1 1 A 132 132 SER HA H 132 4.686 5.054 -0.368 1
1 1410 . 6 1 1 A 132 132 SER CA C 132 56.340 57.990 -1.650 1
1 1411 . 6 1 1 A 132 132 SER CB C 132 65.050 67.213 -2.163 1
1 1412 . 6 1 1 A 132 132 SER N N 132 108.030 113.133 -5.103 1
1 1413 . 6 1 1 A 133 133 TYR H H 133 8.667 9.187 -0.520 1
1 1414 . 6 1 1 A 133 133 TYR HA H 133 4.564 4.879 -0.315 1
1 1419 . 6 1 1 A 133 133 TYR CA C 133 57.910 56.968 0.942 1
1 1420 . 6 1 1 A 133 133 TYR CB C 133 40.720 40.347 0.373 1
1 1422 . 6 1 1 A 133 133 TYR N N 133 121.977 124.396 -2.419 1
1 1423 . 6 1 1 A 134 134 ASP H H 134 7.303 8.567 -1.264 1
1 1424 . 6 1 1 A 134 134 ASP HA H 134 3.944 4.421 -0.477 1
1 1427 . 6 1 1 A 134 134 ASP CA C 134 52.540 54.706 -2.166 1
1 1428 . 6 1 1 A 134 134 ASP CB C 134 42.900 39.908 2.992 1
1 1429 . 6 1 1 A 134 134 ASP N N 134 127.820 123.884 3.936 1
1 1430 . 6 1 1 A 135 135 SER H H 135 9.392 8.768 0.624 1
1 1431 . 6 1 1 A 135 135 SER HA H 135 3.945 4.022 -0.077 1
1 1434 . 6 1 1 A 135 135 SER CA C 135 61.770 61.156 0.614 1
1 1435 . 6 1 1 A 135 135 SER CB C 135 63.561 62.700 0.861 1
1 1436 . 6 1 1 A 135 135 SER N N 135 127.670 119.775 7.895 1
1 1437 . 6 1 1 A 136 136 GLU H H 136 7.546 7.976 -0.430 1
1 1438 . 6 1 1 A 136 136 GLU HA H 136 4.233 4.223 0.010 1
1 1443 . 6 1 1 A 136 136 GLU CA C 136 54.796 58.876 -4.080 1
1 1444 . 6 1 1 A 136 136 GLU CB C 136 28.420 29.859 -1.439 1
1 1446 . 6 1 1 A 136 136 GLU N N 136 113.107 117.600 -4.493 1
1 1447 . 6 1 1 A 137 137 GLY H H 137 7.241 8.209 -0.968 1
1 1448 . 6 1 1 A 137 137 GLY HA2 H 137 3.994 4.007 -0.013 1
1 1449 . 6 1 1 A 137 137 GLY HA3 H 137 3.503 4.048 -0.545 1
1 1450 . 6 1 1 A 137 137 GLY CA C 137 44.880 44.608 0.272 1
1 1451 . 6 1 1 A 137 137 GLY N N 137 104.690 108.168 -3.478 1
1 1452 . 6 1 1 A 138 138 PRO HA H 138 4.211 4.334 -0.123 1
1 1459 . 6 1 1 A 138 138 PRO CA C 138 64.830 64.215 0.615 1
1 1460 . 6 1 1 A 138 138 PRO CB C 138 31.180 31.680 -0.500 1
1 1463 . 6 1 1 A 139 139 HIS H H 139 6.414 7.580 -1.166 1
1 1464 . 6 1 1 A 139 139 HIS HA H 139 4.299 4.770 -0.471 1
1 1467 . 6 1 1 A 139 139 HIS CA C 139 55.080 54.886 0.194 1
1 1468 . 6 1 1 A 139 139 HIS CB C 139 30.260 28.170 2.090 1
1 1470 . 6 1 1 A 139 139 HIS N N 139 116.498 117.073 -0.575 1
1 1471 . 6 1 1 A 140 140 GLY H H 140 7.082 8.787 -1.705 1
1 1472 . 6 1 1 A 140 140 GLY HA2 H 140 3.919 3.810 0.109 1
1 1473 . 6 1 1 A 140 140 GLY HA3 H 140 3.721 3.812 -0.091 1
1 1474 . 6 1 1 A 140 140 GLY CA C 140 46.590 47.257 -0.667 1
1 1475 . 6 1 1 A 140 140 GLY N N 140 108.485 110.918 -2.433 1
1 1476 . 6 1 1 A 141 141 LEU HA H 141 4.451 4.749 -0.298 1
1 1483 . 6 1 1 A 141 141 LEU CA C 141 53.024 53.388 -0.364 1
1 1484 . 6 1 1 A 141 141 LEU CB C 141 39.500 41.918 -2.418 1
1 1487 . 6 1 1 A 142 142 ARG H H 142 7.472 8.355 -0.883 1
1 1488 . 6 1 1 A 142 142 ARG HA H 142 4.724 4.844 -0.120 1
1 1493 . 6 1 1 A 142 142 ARG CA C 142 55.940 54.830 1.110 1
1 1494 . 6 1 1 A 142 142 ARG CB C 142 31.070 32.069 -0.999 1
1 1497 . 6 1 1 A 142 142 ARG N N 142 121.987 121.185 0.802 1
1 1499 . 6 1 1 A 143 143 TYR H H 143 8.487 8.496 -0.009 1
1 1500 . 6 1 1 A 143 143 TYR HA H 143 4.474 4.746 -0.272 1
1 1507 . 6 1 1 A 143 143 TYR CA C 143 59.015 59.578 -0.563 1
1 1508 . 6 1 1 A 143 143 TYR CB C 143 38.720 39.218 -0.498 1
1 1511 . 6 1 1 A 143 143 TYR N N 143 127.896 121.854 6.042 1
1 1512 . 6 1 1 A 144 144 ASN H H 144 7.805 7.947 -0.142 1
1 1513 . 6 1 1 A 144 144 ASN HA H 144 4.892 5.335 -0.443 1
1 1518 . 6 1 1 A 144 144 ASN CA C 144 50.120 50.425 -0.305 1
1 1519 . 6 1 1 A 144 144 ASN CB C 144 39.360 39.334 0.026 1
1 1520 . 6 1 1 A 144 144 ASN N N 144 125.629 126.217 -0.588 1
1 1522 . 6 1 1 A 145 145 PRO HA H 145 3.975 4.089 -0.114 1
1 1528 . 6 1 1 A 145 145 PRO CA C 145 63.140 64.697 -1.557 1
1 1529 . 6 1 1 A 145 145 PRO CB C 145 32.386 31.897 0.489 1
1 1532 . 6 1 1 A 146 146 ARG H H 146 8.055 7.836 0.219 1
1 1533 . 6 1 1 A 146 146 ARG HA H 146 3.918 4.591 -0.673 1
1 1541 . 6 1 1 A 146 146 ARG CA C 146 56.740 55.337 1.403 1
1 1542 . 6 1 1 A 146 146 ARG CB C 146 30.430 31.998 -1.568 1
1 1545 . 6 1 1 A 146 146 ARG N N 146 120.069 116.319 3.750 1
1 1547 . 6 1 1 A 147 147 GLU H H 147 8.440 7.953 0.487 1
1 1548 . 6 1 1 A 147 147 GLU HA H 147 4.167 4.095 0.072 1
1 1552 . 6 1 1 A 147 147 GLU CA C 147 56.710 58.936 -2.226 1
1 1553 . 6 1 1 A 147 147 GLU CB C 147 30.150 29.692 0.458 1
1 1555 . 6 1 1 A 147 147 GLU N N 147 120.760 120.592 0.168 1
1 1556 . 6 1 1 A 148 148 ASN H H 148 8.363 7.609 0.754 1
1 1557 . 6 1 1 A 148 148 ASN HA H 148 4.652 4.897 -0.245 1
1 1562 . 6 1 1 A 148 148 ASN CA C 148 53.240 51.951 1.289 1
1 1563 . 6 1 1 A 148 148 ASN CB C 148 38.840 40.044 -1.204 1
1 1564 . 6 1 1 A 148 148 ASN N N 148 120.210 112.929 7.281 1
1 1 . 7 1 1 A 2 2 ALA HA H 2 4.182 4.955 -0.773 1
1 5 . 7 1 1 A 2 2 ALA CA C 2 51.510 50.776 0.734 1
1 6 . 7 1 1 A 2 2 ALA CB C 2 20.090 23.554 -3.464 1
1 7 . 7 1 1 A 3 3 HIS H H 3 9.173 8.782 0.391 1
1 8 . 7 1 1 A 3 3 HIS HA H 3 5.839 5.272 0.567 1
1 12 . 7 1 1 A 3 3 HIS CA C 3 56.960 55.631 1.329 1
1 13 . 7 1 1 A 3 3 HIS CB C 3 32.820 31.743 1.077 1
1 15 . 7 1 1 A 3 3 HIS N N 3 118.801 118.260 0.541 1
1 16 . 7 1 1 A 4 4 ILE H H 4 9.494 9.046 0.448 1
1 17 . 7 1 1 A 4 4 ILE HA H 4 5.508 5.275 0.233 1
1 27 . 7 1 1 A 4 4 ILE CA C 4 58.300 59.300 -1.000 1
1 28 . 7 1 1 A 4 4 ILE CB C 4 41.930 42.641 -0.711 1
1 32 . 7 1 1 A 4 4 ILE N N 4 118.202 117.254 0.948 1
1 33 . 7 1 1 A 5 5 PHE H H 5 8.815 8.521 0.294 1
1 34 . 7 1 1 A 5 5 PHE HA H 5 5.789 5.412 0.377 1
1 42 . 7 1 1 A 5 5 PHE CA C 5 55.153 56.334 -1.181 1
1 43 . 7 1 1 A 5 5 PHE CB C 5 40.740 42.657 -1.917 1
1 47 . 7 1 1 A 5 5 PHE N N 5 126.107 124.035 2.072 1
1 48 . 7 1 1 A 6 6 VAL H H 6 9.078 7.926 1.152 1
1 49 . 7 1 1 A 6 6 VAL HA H 6 4.357 4.099 0.258 1
1 57 . 7 1 1 A 6 6 VAL CA C 6 59.157 61.929 -2.772 1
1 58 . 7 1 1 A 6 6 VAL CB C 6 33.473 31.887 1.586 1
1 61 . 7 1 1 A 6 6 VAL N N 6 118.658 122.989 -4.331 1
1 62 . 7 1 1 A 7 7 TYR H H 7 6.878 9.048 -2.170 1
1 63 . 7 1 1 A 7 7 TYR HA H 7 4.170 4.071 0.099 1
1 66 . 7 1 1 A 7 7 TYR CB C 7 36.608 39.079 -2.471 1
1 67 . 7 1 1 A 7 7 TYR N N 7 116.860 125.091 -8.231 1
1 68 . 7 1 1 A 8 8 GLY HA2 H 8 4.195 3.753 0.442 1
1 69 . 7 1 1 A 8 8 GLY HA3 H 8 2.933 3.868 -0.935 1
1 70 . 7 1 1 A 8 8 GLY CA C 8 46.169 45.254 0.915 1
1 71 . 7 1 1 A 9 9 THR H H 9 7.618 8.252 -0.634 1
1 72 . 7 1 1 A 9 9 THR HA H 9 3.831 4.096 -0.265 1
1 77 . 7 1 1 A 9 9 THR CA C 9 64.570 64.774 -0.204 1
1 78 . 7 1 1 A 9 9 THR CB C 9 68.494 68.495 -0.001 1
1 80 . 7 1 1 A 9 9 THR N N 9 115.934 114.283 1.651 1
1 81 . 7 1 1 A 10 10 LEU H H 10 7.561 7.499 0.062 1
1 82 . 7 1 1 A 10 10 LEU HA H 10 3.673 4.389 -0.716 1
1 92 . 7 1 1 A 10 10 LEU CA C 10 55.950 53.897 2.053 1
1 93 . 7 1 1 A 10 10 LEU CB C 10 41.610 42.752 -1.142 1
1 97 . 7 1 1 A 10 10 LEU N N 10 120.151 120.610 -0.459 1
1 98 . 7 1 1 A 11 11 LYS H H 11 6.738 7.888 -1.150 1
1 99 . 7 1 1 A 11 11 LYS HA H 11 4.007 4.585 -0.578 1
1 103 . 7 1 1 A 11 11 LYS CA C 11 57.390 57.481 -0.091 1
1 104 . 7 1 1 A 11 11 LYS CB C 11 34.322 33.677 0.645 1
1 106 . 7 1 1 A 11 11 LYS N N 11 116.295 120.772 -4.477 1
1 107 . 7 1 1 A 12 12 ARG H H 12 9.432 8.632 0.800 1
1 108 . 7 1 1 A 12 12 ARG HA H 12 2.029 4.010 -1.981 1
1 115 . 7 1 1 A 12 12 ARG CA C 12 58.420 58.966 -0.546 1
1 116 . 7 1 1 A 12 12 ARG CB C 12 29.190 30.201 -1.011 1
1 119 . 7 1 1 A 12 12 ARG N N 12 120.863 119.381 1.482 1
1 120 . 7 1 1 A 13 13 GLY H H 13 8.048 7.558 0.490 1
1 121 . 7 1 1 A 13 13 GLY HA2 H 13 3.990 4.060 -0.070 1
1 122 . 7 1 1 A 13 13 GLY HA3 H 13 3.538 4.075 -0.537 1
1 123 . 7 1 1 A 13 13 GLY CA C 13 45.490 45.673 -0.183 1
1 124 . 7 1 1 A 13 13 GLY N N 13 111.120 104.770 6.350 1
1 125 . 7 1 1 A 14 14 GLN H H 14 7.904 7.536 0.368 1
1 126 . 7 1 1 A 14 14 GLN HA H 14 4.682 4.309 0.373 1
1 133 . 7 1 1 A 14 14 GLN CA C 14 53.440 54.636 -1.196 1
1 134 . 7 1 1 A 14 14 GLN CB C 14 27.115 28.156 -1.041 1
1 136 . 7 1 1 A 14 14 GLN N N 14 117.811 120.151 -2.340 1
1 138 . 7 1 1 A 15 15 PRO HA H 15 4.342 4.526 -0.184 1
1 145 . 7 1 1 A 15 15 PRO CA C 15 66.870 64.271 2.599 1
1 146 . 7 1 1 A 15 15 PRO CB C 15 34.060 31.830 2.230 1
1 149 . 7 1 1 A 16 16 ASN H H 16 8.287 8.462 -0.175 1
1 150 . 7 1 1 A 16 16 ASN HA H 16 5.356 4.953 0.403 1
1 155 . 7 1 1 A 16 16 ASN CA C 16 52.230 53.381 -1.151 1
1 156 . 7 1 1 A 16 16 ASN CB C 16 39.030 39.426 -0.396 1
1 157 . 7 1 1 A 16 16 ASN N N 16 110.638 116.578 -5.940 1
1 159 . 7 1 1 A 17 17 HIS H H 17 7.819 7.673 0.146 1
1 160 . 7 1 1 A 17 17 HIS HA H 17 3.815 4.131 -0.316 1
1 164 . 7 1 1 A 17 17 HIS CA C 17 60.140 60.068 0.072 1
1 165 . 7 1 1 A 17 17 HIS CB C 17 27.680 29.398 -1.718 1
1 167 . 7 1 1 A 17 17 HIS N N 17 121.058 120.372 0.686 1
1 168 . 7 1 1 A 18 18 LYS H H 18 8.326 8.185 0.141 1
1 169 . 7 1 1 A 18 18 LYS HA H 18 3.695 4.029 -0.334 1
1 175 . 7 1 1 A 18 18 LYS CA C 18 58.890 58.832 0.058 1
1 176 . 7 1 1 A 18 18 LYS CB C 18 31.070 31.439 -0.369 1
1 180 . 7 1 1 A 18 18 LYS N N 18 112.812 117.624 -4.812 1
1 181 . 7 1 1 A 19 19 VAL H H 19 7.373 7.837 -0.464 1
1 182 . 7 1 1 A 19 19 VAL HA H 19 3.816 4.052 -0.236 1
1 190 . 7 1 1 A 19 19 VAL CA C 19 64.960 64.857 0.103 1
1 191 . 7 1 1 A 19 19 VAL CB C 19 30.960 31.225 -0.265 1
1 194 . 7 1 1 A 19 19 VAL N N 19 117.691 116.486 1.205 1
1 195 . 7 1 1 A 20 20 MET H H 20 7.329 7.932 -0.603 1
1 196 . 7 1 1 A 20 20 MET HA H 20 3.951 4.274 -0.323 1
1 204 . 7 1 1 A 20 20 MET CA C 20 55.560 56.528 -0.968 1
1 205 . 7 1 1 A 20 20 MET CB C 20 31.460 31.792 -0.332 1
1 208 . 7 1 1 A 20 20 MET N N 20 114.870 118.451 -3.581 1
1 209 . 7 1 1 A 21 21 LEU H H 21 6.718 7.723 -1.005 1
1 210 . 7 1 1 A 21 21 LEU HA H 21 4.091 4.454 -0.363 1
1 220 . 7 1 1 A 21 21 LEU CA C 21 54.140 53.903 0.237 1
1 221 . 7 1 1 A 21 21 LEU CB C 21 42.310 41.276 1.034 1
1 225 . 7 1 1 A 21 21 LEU N N 21 116.021 117.766 -1.745 1
1 226 . 7 1 1 A 22 22 ASP H H 22 6.399 7.615 -1.216 1
1 227 . 7 1 1 A 22 22 ASP HA H 22 4.288 4.823 -0.535 1
1 229 . 7 1 1 A 22 22 ASP CA C 22 52.776 52.896 -0.120 1
1 230 . 7 1 1 A 22 22 ASP CB C 22 40.180 42.198 -2.018 1
1 231 . 7 1 1 A 22 22 ASP N N 22 117.972 120.953 -2.981 1
1 232 . 7 1 1 A 23 23 HIS H H 23 8.601 8.845 -0.244 1
1 233 . 7 1 1 A 23 23 HIS HA H 23 4.848 4.186 0.662 1
1 237 . 7 1 1 A 23 23 HIS CA C 23 55.800 59.408 -3.608 1
1 238 . 7 1 1 A 23 23 HIS CB C 23 27.860 30.022 -2.162 1
1 240 . 7 1 1 A 23 23 HIS N N 23 123.395 126.233 -2.838 1
1 241 . 7 1 1 A 24 24 SER H H 24 8.526 7.869 0.657 1
1 242 . 7 1 1 A 24 24 SER HA H 24 4.105 4.052 0.053 1
1 244 . 7 1 1 A 24 24 SER CA C 24 60.870 61.398 -0.528 1
1 245 . 7 1 1 A 24 24 SER CB C 24 62.510 63.388 -0.878 1
1 246 . 7 1 1 A 24 24 SER N N 24 117.035 115.070 1.965 1
1 247 . 7 1 1 A 25 25 HIS H H 25 7.450 8.008 -0.558 1
1 248 . 7 1 1 A 25 25 HIS HA H 25 4.494 3.845 0.649 1
1 252 . 7 1 1 A 25 25 HIS CA C 25 53.900 58.106 -4.206 1
1 253 . 7 1 1 A 25 25 HIS CB C 25 28.320 29.242 -0.922 1
1 255 . 7 1 1 A 25 25 HIS N N 25 117.560 117.871 -0.311 1
1 256 . 7 1 1 A 26 26 GLY H H 26 6.926 7.352 -0.426 1
1 257 . 7 1 1 A 26 26 GLY HA2 H 26 3.587 3.796 -0.209 1
1 258 . 7 1 1 A 26 26 GLY HA3 H 26 4.362 3.906 0.456 1
1 259 . 7 1 1 A 26 26 GLY CA C 26 43.730 45.137 -1.407 1
1 260 . 7 1 1 A 26 26 GLY N N 26 103.120 103.553 -0.433 1
1 261 . 7 1 1 A 27 27 LEU H H 27 8.579 8.349 0.230 1
1 262 . 7 1 1 A 27 27 LEU HA H 27 4.327 4.735 -0.408 1
1 271 . 7 1 1 A 27 27 LEU CA C 27 54.520 55.025 -0.505 1
1 272 . 7 1 1 A 27 27 LEU CB C 27 44.250 43.103 1.147 1
1 276 . 7 1 1 A 27 27 LEU N N 27 121.940 121.277 0.663 1
1 277 . 7 1 1 A 28 28 ALA H H 28 7.776 8.706 -0.930 1
1 278 . 7 1 1 A 28 28 ALA HA H 28 5.231 5.448 -0.217 1
1 282 . 7 1 1 A 28 28 ALA CA C 28 50.990 51.590 -0.600 1
1 283 . 7 1 1 A 28 28 ALA CB C 28 22.580 21.994 0.586 1
1 284 . 7 1 1 A 28 28 ALA N N 28 123.020 128.733 -5.713 1
1 285 . 7 1 1 A 29 29 ALA H H 29 9.231 9.222 0.009 1
1 286 . 7 1 1 A 29 29 ALA HA H 29 4.857 5.256 -0.399 1
1 290 . 7 1 1 A 29 29 ALA CA C 29 50.661 50.384 0.277 1
1 291 . 7 1 1 A 29 29 ALA CB C 29 21.140 21.896 -0.756 1
1 292 . 7 1 1 A 29 29 ALA N N 29 125.760 125.396 0.364 1
1 293 . 7 1 1 A 30 30 PHE H H 30 9.083 9.152 -0.069 1
1 294 . 7 1 1 A 30 30 PHE HA H 30 3.397 3.982 -0.585 1
1 301 . 7 1 1 A 30 30 PHE CA C 30 59.895 57.100 2.795 1
1 302 . 7 1 1 A 30 30 PHE CB C 30 38.810 38.518 0.292 1
1 305 . 7 1 1 A 30 30 PHE N N 30 126.590 125.373 1.217 1
1 306 . 7 1 1 A 31 31 ARG H H 31 8.102 8.164 -0.062 1
1 307 . 7 1 1 A 31 31 ARG HA H 31 3.941 3.939 0.002 1
1 314 . 7 1 1 A 31 31 ARG CA C 31 53.120 54.772 -1.652 1
1 315 . 7 1 1 A 31 31 ARG CB C 31 31.665 28.816 2.849 1
1 318 . 7 1 1 A 31 31 ARG N N 31 125.007 128.125 -3.118 1
1 320 . 7 1 1 A 32 32 GLY H H 32 5.465 7.017 -1.552 1
1 321 . 7 1 1 A 32 32 GLY HA2 H 32 3.264 3.380 -0.116 1
1 322 . 7 1 1 A 32 32 GLY HA3 H 32 4.670 3.633 1.037 1
1 323 . 7 1 1 A 32 32 GLY CA C 32 45.150 44.223 0.927 1
1 324 . 7 1 1 A 32 32 GLY N N 32 101.400 109.475 -8.075 1
1 325 . 7 1 1 A 33 33 ARG H H 33 8.345 8.430 -0.085 1
1 326 . 7 1 1 A 33 33 ARG HA H 33 5.158 5.158 0.000 1
1 332 . 7 1 1 A 33 33 ARG CA C 33 54.924 54.573 0.351 1
1 333 . 7 1 1 A 33 33 ARG CB C 33 34.180 34.477 -0.297 1
1 336 . 7 1 1 A 33 33 ARG N N 33 116.822 120.212 -3.390 1
1 338 . 7 1 1 A 34 34 GLY H H 34 8.549 8.130 0.419 1
1 339 . 7 1 1 A 34 34 GLY HA2 H 34 5.154 4.291 0.863 1
1 340 . 7 1 1 A 34 34 GLY HA3 H 34 3.752 4.338 -0.586 1
1 341 . 7 1 1 A 34 34 GLY CA C 34 45.620 45.903 -0.283 1
1 342 . 7 1 1 A 34 34 GLY N N 34 107.400 107.945 -0.545 1
1 343 . 7 1 1 A 35 35 CYS H H 35 8.803 8.151 0.652 1
1 344 . 7 1 1 A 35 35 CYS HA H 35 5.893 5.460 0.433 1
1 347 . 7 1 1 A 35 35 CYS CA C 35 55.420 57.486 -2.066 1
1 348 . 7 1 1 A 35 35 CYS CB C 35 30.960 31.154 -0.194 1
1 349 . 7 1 1 A 35 35 CYS N N 35 117.781 117.519 0.262 1
1 350 . 7 1 1 A 36 36 THR H H 36 9.033 8.774 0.259 1
1 351 . 7 1 1 A 36 36 THR HA H 36 3.835 4.302 -0.467 1
1 356 . 7 1 1 A 36 36 THR CA C 36 64.160 61.791 2.369 1
1 357 . 7 1 1 A 36 36 THR CB C 36 68.200 69.371 -1.171 1
1 359 . 7 1 1 A 36 36 THR N N 36 117.973 114.486 3.487 1
1 360 . 7 1 1 A 37 37 VAL H H 37 7.545 8.053 -0.508 1
1 361 . 7 1 1 A 37 37 VAL HA H 37 3.709 3.737 -0.028 1
1 369 . 7 1 1 A 37 37 VAL CA C 37 65.740 66.559 -0.819 1
1 370 . 7 1 1 A 37 37 VAL CB C 37 32.410 31.964 0.446 1
1 373 . 7 1 1 A 37 37 VAL N N 37 121.706 125.535 -3.829 1
1 374 . 7 1 1 A 38 38 GLU H H 38 8.540 7.689 0.851 1
1 375 . 7 1 1 A 38 38 GLU HA H 38 4.264 4.206 0.058 1
1 380 . 7 1 1 A 38 38 GLU CA C 38 54.260 56.469 -2.209 1
1 381 . 7 1 1 A 38 38 GLU CB C 38 30.770 29.973 0.797 1
1 383 . 7 1 1 A 38 38 GLU N N 38 119.219 120.482 -1.263 1
1 384 . 7 1 1 A 39 39 SER H H 39 8.692 8.198 0.494 1
1 385 . 7 1 1 A 39 39 SER HA H 39 4.035 4.491 -0.456 1
1 388 . 7 1 1 A 39 39 SER CA C 39 57.370 59.270 -1.900 1
1 389 . 7 1 1 A 39 39 SER CB C 39 63.760 63.897 -0.137 1
1 390 . 7 1 1 A 39 39 SER N N 39 118.941 119.840 -0.899 1
1 391 . 7 1 1 A 40 40 PHE H H 40 8.302 9.244 -0.942 1
1 392 . 7 1 1 A 40 40 PHE HA H 40 4.986 4.846 0.140 1
1 400 . 7 1 1 A 40 40 PHE CA C 40 57.320 55.691 1.629 1
1 401 . 7 1 1 A 40 40 PHE CB C 40 44.292 42.572 1.720 1
1 405 . 7 1 1 A 40 40 PHE N N 40 119.300 121.361 -2.061 1
1 406 . 7 1 1 A 41 41 PRO HA H 41 3.828 4.503 -0.675 1
1 413 . 7 1 1 A 41 41 PRO CA C 41 62.270 62.115 0.155 1
1 414 . 7 1 1 A 41 41 PRO CB C 41 30.790 28.942 1.848 1
1 417 . 7 1 1 A 42 42 LEU H H 42 7.964 8.291 -0.327 1
1 418 . 7 1 1 A 42 42 LEU HA H 42 5.352 4.703 0.649 1
1 427 . 7 1 1 A 42 42 LEU CA C 42 53.830 54.909 -1.079 1
1 428 . 7 1 1 A 42 42 LEU CB C 42 42.380 42.752 -0.372 1
1 431 . 7 1 1 A 42 42 LEU N N 42 129.948 124.310 5.638 1
1 432 . 7 1 1 A 43 43 VAL H H 43 8.607 8.984 -0.377 1
1 433 . 7 1 1 A 43 43 VAL HA H 43 5.296 5.008 0.288 1
1 441 . 7 1 1 A 43 43 VAL CA C 43 58.040 59.253 -1.213 1
1 442 . 7 1 1 A 43 43 VAL CB C 43 35.220 35.564 -0.344 1
1 445 . 7 1 1 A 43 43 VAL N N 43 117.190 119.071 -1.881 1
1 446 . 7 1 1 A 44 44 ILE H H 44 9.056 8.806 0.250 1
1 447 . 7 1 1 A 44 44 ILE HA H 44 4.426 4.334 0.092 1
1 457 . 7 1 1 A 44 44 ILE CA C 44 61.156 61.032 0.124 1
1 458 . 7 1 1 A 44 44 ILE CB C 44 38.544 36.466 2.078 1
1 462 . 7 1 1 A 44 44 ILE N N 44 122.963 125.622 -2.659 1
1 463 . 7 1 1 A 45 45 ALA H H 45 8.701 7.905 0.796 1
1 464 . 7 1 1 A 45 45 ALA HA H 45 4.626 4.229 0.397 1
1 468 . 7 1 1 A 45 45 ALA CA C 45 51.430 51.502 -0.072 1
1 469 . 7 1 1 A 45 45 ALA CB C 45 21.670 19.563 2.107 1
1 470 . 7 1 1 A 45 45 ALA N N 45 126.347 129.347 -3.000 1
1 471 . 7 1 1 A 46 46 GLY H H 46 8.486 8.578 -0.092 1
1 472 . 7 1 1 A 46 46 GLY HA2 H 46 4.587 4.246 0.341 1
1 473 . 7 1 1 A 46 46 GLY HA3 H 46 4.084 4.260 -0.176 1
1 474 . 7 1 1 A 46 46 GLY CA C 46 44.500 44.910 -0.410 1
1 475 . 7 1 1 A 46 46 GLY N N 46 108.262 106.641 1.621 1
1 476 . 7 1 1 A 47 47 GLU H H 47 8.938 8.799 0.139 1
1 477 . 7 1 1 A 47 47 GLU HA H 47 4.003 4.365 -0.362 1
1 480 . 7 1 1 A 47 47 GLU CA C 47 58.820 57.370 1.450 1
1 481 . 7 1 1 A 47 47 GLU CB C 47 29.500 29.730 -0.230 1
1 482 . 7 1 1 A 47 47 GLU N N 47 118.010 120.985 -2.975 1
1 483 . 7 1 1 A 48 48 HIS H H 48 8.742 7.894 0.848 1
1 484 . 7 1 1 A 48 48 HIS HA H 48 4.704 4.729 -0.025 1
1 488 . 7 1 1 A 48 48 HIS CA C 48 55.130 55.504 -0.374 1
1 489 . 7 1 1 A 48 48 HIS CB C 48 29.110 30.267 -1.157 1
1 491 . 7 1 1 A 48 48 HIS N N 48 115.306 115.660 -0.354 1
1 492 . 7 1 1 A 49 49 ASN H H 49 7.810 8.139 -0.329 1
1 493 . 7 1 1 A 49 49 ASN HA H 49 3.878 4.230 -0.352 1
1 498 . 7 1 1 A 49 49 ASN CA C 49 53.876 54.139 -0.263 1
1 499 . 7 1 1 A 49 49 ASN CB C 49 36.030 36.959 -0.929 1
1 500 . 7 1 1 A 49 49 ASN N N 49 114.919 114.156 0.763 1
1 502 . 7 1 1 A 50 50 ILE H H 50 7.046 8.001 -0.955 1
1 503 . 7 1 1 A 50 50 ILE HA H 50 4.022 4.522 -0.500 1
1 513 . 7 1 1 A 50 50 ILE CA C 50 59.430 58.165 1.265 1
1 514 . 7 1 1 A 50 50 ILE CB C 50 41.326 38.361 2.965 1
1 518 . 7 1 1 A 50 50 ILE N N 50 120.995 119.977 1.018 1
1 519 . 7 1 1 A 51 51 PRO HA H 51 5.194 5.068 0.126 1
1 521 . 7 1 1 A 51 51 PRO CA C 51 60.560 62.366 -1.806 1
1 522 . 7 1 1 A 51 51 PRO CB C 51 31.841 32.313 -0.472 1
1 523 . 7 1 1 A 52 52 TRP H H 52 9.564 8.200 1.364 1
1 524 . 7 1 1 A 52 52 TRP HA H 52 4.805 5.689 -0.884 1
1 532 . 7 1 1 A 52 52 TRP CA C 52 56.550 55.874 0.676 1
1 533 . 7 1 1 A 52 52 TRP CB C 52 32.300 33.618 -1.318 1
1 539 . 7 1 1 A 52 52 TRP N N 52 123.070 121.531 1.539 1
1 541 . 7 1 1 A 53 53 LEU H H 53 7.227 8.955 -1.728 1
1 542 . 7 1 1 A 53 53 LEU HA H 53 4.863 4.910 -0.047 1
1 552 . 7 1 1 A 53 53 LEU CA C 53 53.790 54.299 -0.509 1
1 553 . 7 1 1 A 53 53 LEU CB C 53 42.250 43.533 -1.283 1
1 557 . 7 1 1 A 53 53 LEU N N 53 124.700 121.758 2.942 1
1 558 . 7 1 1 A 54 54 LEU H H 54 9.021 8.861 0.160 1
1 559 . 7 1 1 A 54 54 LEU HA H 54 4.618 4.682 -0.064 1
1 569 . 7 1 1 A 54 54 LEU CA C 54 54.030 55.214 -1.184 1
1 570 . 7 1 1 A 54 54 LEU CB C 54 40.360 41.815 -1.455 1
1 574 . 7 1 1 A 54 54 LEU N N 54 126.893 127.663 -0.770 1
1 575 . 7 1 1 A 55 55 TYR H H 55 8.884 8.864 0.020 1
1 576 . 7 1 1 A 55 55 TYR HA H 55 4.562 4.833 -0.271 1
1 583 . 7 1 1 A 55 55 TYR CA C 55 58.420 56.953 1.467 1
1 584 . 7 1 1 A 55 55 TYR CB C 55 36.180 38.106 -1.926 1
1 587 . 7 1 1 A 55 55 TYR N N 55 123.430 126.479 -3.049 1
1 588 . 7 1 1 A 56 56 LEU H H 56 8.192 8.993 -0.801 1
1 589 . 7 1 1 A 56 56 LEU HA H 56 4.530 4.801 -0.271 1
1 598 . 7 1 1 A 56 56 LEU CA C 56 51.720 51.587 0.133 1
1 599 . 7 1 1 A 56 56 LEU CB C 56 43.260 43.239 0.021 1
1 602 . 7 1 1 A 56 56 LEU N N 56 130.832 129.011 1.821 1
1 603 . 7 1 1 A 57 57 PRO HA H 57 3.779 3.280 0.499 1
1 610 . 7 1 1 A 57 57 PRO CA C 57 62.240 63.432 -1.192 1
1 611 . 7 1 1 A 57 57 PRO CB C 57 31.130 31.049 0.081 1
1 614 . 7 1 1 A 58 58 GLY H H 58 8.908 8.677 0.231 1
1 615 . 7 1 1 A 58 58 GLY HA2 H 58 4.027 3.644 0.383 1
1 616 . 7 1 1 A 58 58 GLY HA3 H 58 3.433 3.660 -0.227 1
1 617 . 7 1 1 A 58 58 GLY CA C 58 44.860 44.936 -0.076 1
1 618 . 7 1 1 A 58 58 GLY N N 58 112.351 112.420 -0.069 1
1 619 . 7 1 1 A 59 59 LYS H H 59 7.214 7.229 -0.015 1
1 620 . 7 1 1 A 59 59 LYS HA H 59 4.386 4.584 -0.198 1
1 629 . 7 1 1 A 59 59 LYS CA C 59 53.760 55.017 -1.257 1
1 630 . 7 1 1 A 59 59 LYS CB C 59 34.590 34.739 -0.149 1
1 634 . 7 1 1 A 59 59 LYS N N 59 121.458 120.013 1.445 1
1 635 . 7 1 1 A 60 60 GLY H H 60 8.312 8.499 -0.187 1
1 636 . 7 1 1 A 60 60 GLY HA2 H 60 3.379 3.639 -0.260 1
1 637 . 7 1 1 A 60 60 GLY HA3 H 60 3.229 3.705 -0.476 1
1 638 . 7 1 1 A 60 60 GLY CA C 60 45.350 45.069 0.281 1
1 639 . 7 1 1 A 60 60 GLY N N 60 103.990 110.664 -6.674 1
1 640 . 7 1 1 A 61 61 HIS H H 61 7.880 8.056 -0.176 1
1 641 . 7 1 1 A 61 61 HIS HA H 61 4.868 4.704 0.164 1
1 645 . 7 1 1 A 61 61 HIS CA C 61 53.920 57.706 -3.786 1
1 646 . 7 1 1 A 61 61 HIS CB C 61 33.020 28.622 4.398 1
1 648 . 7 1 1 A 61 61 HIS N N 61 121.221 116.578 4.643 1
1 649 . 7 1 1 A 62 62 CYS H H 62 8.760 8.605 0.155 1
1 650 . 7 1 1 A 62 62 CYS HA H 62 4.248 4.577 -0.329 1
1 653 . 7 1 1 A 62 62 CYS CA C 62 61.730 59.536 2.194 1
1 654 . 7 1 1 A 62 62 CYS CB C 62 26.560 28.864 -2.304 1
1 655 . 7 1 1 A 62 62 CYS N N 62 121.842 121.460 0.382 1
1 656 . 7 1 1 A 63 63 VAL H H 63 8.109 8.696 -0.587 1
1 657 . 7 1 1 A 63 63 VAL HA H 63 4.869 4.901 -0.032 1
1 665 . 7 1 1 A 63 63 VAL CA C 63 62.210 61.788 0.422 1
1 666 . 7 1 1 A 63 63 VAL CB C 63 34.780 34.389 0.391 1
1 669 . 7 1 1 A 63 63 VAL N N 63 127.029 122.271 4.758 1
1 670 . 7 1 1 A 64 64 THR H H 64 8.453 8.639 -0.186 1
1 671 . 7 1 1 A 64 64 THR HA H 64 5.349 4.761 0.588 1
1 676 . 7 1 1 A 64 64 THR CA C 64 61.100 61.640 -0.540 1
1 677 . 7 1 1 A 64 64 THR CB C 64 70.790 70.308 0.482 1
1 679 . 7 1 1 A 64 64 THR N N 64 116.830 120.944 -4.114 1
1 680 . 7 1 1 A 65 65 GLY H H 65 8.663 8.486 0.177 1
1 681 . 7 1 1 A 65 65 GLY HA2 H 65 4.085 4.097 -0.012 1
1 682 . 7 1 1 A 65 65 GLY HA3 H 65 3.480 4.314 -0.834 1
1 683 . 7 1 1 A 65 65 GLY CA C 65 46.570 46.331 0.239 1
1 684 . 7 1 1 A 65 65 GLY N N 65 107.680 109.090 -1.410 1
1 685 . 7 1 1 A 66 66 GLU H H 66 8.574 8.432 0.142 1
1 686 . 7 1 1 A 66 66 GLU HA H 66 5.150 5.472 -0.322 1
1 689 . 7 1 1 A 66 66 GLU CA C 66 54.450 54.674 -0.224 1
1 690 . 7 1 1 A 66 66 GLU CB C 66 37.328 34.686 2.642 1
1 691 . 7 1 1 A 66 66 GLU N N 66 120.921 119.270 1.651 1
1 692 . 7 1 1 A 67 67 ILE H H 67 8.623 8.241 0.382 1
1 693 . 7 1 1 A 67 67 ILE HA H 67 5.149 5.113 0.036 1
1 703 . 7 1 1 A 67 67 ILE CA C 67 60.180 59.895 0.285 1
1 704 . 7 1 1 A 67 67 ILE CB C 67 40.210 40.069 0.141 1
1 708 . 7 1 1 A 67 67 ILE N N 67 121.340 121.115 0.225 1
1 709 . 7 1 1 A 68 68 TYR H H 68 9.196 8.863 0.333 1
1 710 . 7 1 1 A 68 68 TYR HA H 68 5.001 5.432 -0.431 1
1 717 . 7 1 1 A 68 68 TYR CA C 68 56.270 56.319 -0.049 1
1 718 . 7 1 1 A 68 68 TYR CB C 68 41.480 41.738 -0.258 1
1 721 . 7 1 1 A 68 68 TYR N N 68 123.650 125.086 -1.436 1
1 722 . 7 1 1 A 69 69 GLU H H 69 9.302 8.973 0.329 1
1 723 . 7 1 1 A 69 69 GLU HA H 69 5.066 4.723 0.343 1
1 728 . 7 1 1 A 69 69 GLU CA C 69 55.180 56.916 -1.736 1
1 729 . 7 1 1 A 69 69 GLU CB C 69 31.420 30.815 0.605 1
1 731 . 7 1 1 A 69 69 GLU N N 69 124.090 125.116 -1.026 1
1 732 . 7 1 1 A 70 70 VAL H H 70 8.908 9.156 -0.248 1
1 733 . 7 1 1 A 70 70 VAL HA H 70 5.556 5.121 0.435 1
1 741 . 7 1 1 A 70 70 VAL CA C 70 57.780 58.744 -0.964 1
1 742 . 7 1 1 A 70 70 VAL CB C 70 35.400 36.036 -0.636 1
1 745 . 7 1 1 A 70 70 VAL N N 70 119.540 119.550 -0.010 1
1 746 . 7 1 1 A 71 71 ASP H H 71 7.939 8.706 -0.767 1
1 747 . 7 1 1 A 71 71 ASP HA H 71 4.909 5.014 -0.105 1
1 750 . 7 1 1 A 71 71 ASP CA C 71 51.240 52.740 -1.500 1
1 751 . 7 1 1 A 71 71 ASP CB C 71 42.210 43.172 -0.962 1
1 752 . 7 1 1 A 71 71 ASP N N 71 120.720 121.236 -0.516 1
1 753 . 7 1 1 A 72 72 GLU H H 72 8.364 8.893 -0.529 1
1 754 . 7 1 1 A 72 72 GLU HA H 72 3.869 3.994 -0.125 1
1 757 . 7 1 1 A 72 72 GLU CA C 72 59.775 59.674 0.101 1
1 758 . 7 1 1 A 72 72 GLU CB C 72 29.140 29.413 -0.273 1
1 760 . 7 1 1 A 72 72 GLU N N 72 117.910 121.523 -3.613 1
1 761 . 7 1 1 A 73 73 GLN H H 73 7.960 8.048 -0.088 1
1 762 . 7 1 1 A 73 73 GLN HA H 73 3.899 4.075 -0.176 1
1 767 . 7 1 1 A 73 73 GLN CA C 73 59.570 58.846 0.724 1
1 768 . 7 1 1 A 73 73 GLN CB C 73 27.810 27.901 -0.091 1
1 770 . 7 1 1 A 73 73 GLN N N 73 119.617 120.018 -0.401 1
1 772 . 7 1 1 A 74 74 MET H H 74 8.489 7.765 0.724 1
1 773 . 7 1 1 A 74 74 MET HA H 74 4.766 4.290 0.476 1
1 780 . 7 1 1 A 74 74 MET CA C 74 56.790 58.381 -1.591 1
1 781 . 7 1 1 A 74 74 MET CB C 74 31.900 32.573 -0.673 1
1 784 . 7 1 1 A 74 74 MET N N 74 121.800 119.302 2.498 1
1 785 . 7 1 1 A 75 75 LEU H H 75 8.162 8.199 -0.037 1
1 786 . 7 1 1 A 75 75 LEU HA H 75 3.897 4.132 -0.235 1
1 796 . 7 1 1 A 75 75 LEU CA C 75 58.230 57.869 0.361 1
1 797 . 7 1 1 A 75 75 LEU CB C 75 42.160 41.523 0.637 1
1 801 . 7 1 1 A 75 75 LEU N N 75 120.230 121.628 -1.398 1
1 802 . 7 1 1 A 76 76 ARG H H 76 7.824 8.316 -0.492 1
1 803 . 7 1 1 A 76 76 ARG HA H 76 3.952 4.061 -0.109 1
1 811 . 7 1 1 A 76 76 ARG CA C 76 59.270 59.119 0.151 1
1 812 . 7 1 1 A 76 76 ARG CB C 76 29.930 30.050 -0.120 1
1 815 . 7 1 1 A 76 76 ARG N N 76 116.540 120.160 -3.620 1
1 817 . 7 1 1 A 77 77 PHE H H 77 8.137 8.320 -0.183 1
1 818 . 7 1 1 A 77 77 PHE HA H 77 4.085 4.154 -0.069 1
1 825 . 7 1 1 A 77 77 PHE CA C 77 61.980 61.212 0.768 1
1 826 . 7 1 1 A 77 77 PHE CB C 77 38.530 38.835 -0.305 1
1 829 . 7 1 1 A 77 77 PHE N N 77 120.650 122.600 -1.950 1
1 830 . 7 1 1 A 78 78 LEU H H 78 9.071 8.765 0.306 1
1 831 . 7 1 1 A 78 78 LEU HA H 78 3.629 3.732 -0.103 1
1 841 . 7 1 1 A 78 78 LEU CA C 78 57.730 57.784 -0.054 1
1 842 . 7 1 1 A 78 78 LEU CB C 78 41.420 41.188 0.232 1
1 846 . 7 1 1 A 78 78 LEU N N 78 122.360 119.242 3.118 1
1 847 . 7 1 1 A 79 79 ASP H H 79 8.506 7.695 0.811 1
1 848 . 7 1 1 A 79 79 ASP HA H 79 4.320 4.266 0.054 1
1 851 . 7 1 1 A 79 79 ASP CA C 79 57.190 57.760 -0.570 1
1 852 . 7 1 1 A 79 79 ASP CB C 79 39.420 41.175 -1.755 1
1 853 . 7 1 1 A 79 79 ASP N N 79 120.070 119.592 0.478 1
1 854 . 7 1 1 A 80 80 ASP H H 80 7.154 7.693 -0.539 1
1 855 . 7 1 1 A 80 80 ASP HA H 80 4.501 4.285 0.216 1
1 858 . 7 1 1 A 80 80 ASP CA C 80 56.700 57.065 -0.365 1
1 859 . 7 1 1 A 80 80 ASP CB C 80 40.660 40.672 -0.012 1
1 860 . 7 1 1 A 80 80 ASP N N 80 118.890 118.886 0.004 1
1 861 . 7 1 1 A 81 81 PHE H H 81 8.791 7.495 1.296 1
1 862 . 7 1 1 A 81 81 PHE HA H 81 3.659 3.765 -0.106 1
1 867 . 7 1 1 A 81 81 PHE CA C 81 61.640 60.836 0.804 1
1 868 . 7 1 1 A 81 81 PHE CB C 81 40.210 38.811 1.399 1
1 870 . 7 1 1 A 81 81 PHE N N 81 125.745 119.883 5.862 1
1 871 . 7 1 1 A 82 82 GLU H H 82 8.209 7.620 0.589 1
1 872 . 7 1 1 A 82 82 GLU HA H 82 3.956 3.979 -0.023 1
1 875 . 7 1 1 A 82 82 GLU CA C 82 55.060 55.109 -0.049 1
1 876 . 7 1 1 A 82 82 GLU CB C 82 28.910 28.067 0.843 1
1 878 . 7 1 1 A 82 82 GLU N N 82 115.707 113.820 1.887 1
1 879 . 7 1 1 A 83 83 ASP H H 83 7.615 8.048 -0.433 1
1 880 . 7 1 1 A 83 83 ASP HA H 83 4.236 4.161 0.075 1
1 883 . 7 1 1 A 83 83 ASP CA C 83 54.370 55.540 -1.170 1
1 884 . 7 1 1 A 83 83 ASP CB C 83 39.400 40.230 -0.830 1
1 885 . 7 1 1 A 83 83 ASP N N 83 116.517 118.187 -1.670 1
1 886 . 7 1 1 A 84 84 CYS H H 84 8.361 7.536 0.825 1
1 887 . 7 1 1 A 84 84 CYS HA H 84 5.522 4.764 0.758 1
1 890 . 7 1 1 A 84 84 CYS CA C 84 56.617 57.650 -1.033 1
1 891 . 7 1 1 A 84 84 CYS CB C 84 27.651 28.079 -0.428 1
1 892 . 7 1 1 A 84 84 CYS N N 84 119.420 118.991 0.429 1
1 893 . 7 1 1 A 85 85 PRO HA H 85 5.704 4.716 0.988 1
1 900 . 7 1 1 A 85 85 PRO CA C 85 64.355 64.043 0.312 1
1 901 . 7 1 1 A 85 85 PRO CB C 85 33.190 32.693 0.497 1
1 904 . 7 1 1 A 86 86 SER H H 86 8.389 8.227 0.162 1
1 905 . 7 1 1 A 86 86 SER HA H 86 4.175 4.212 -0.037 1
1 907 . 7 1 1 A 86 86 SER CA C 86 62.130 61.746 0.384 1
1 908 . 7 1 1 A 86 86 SER CB C 86 63.080 62.925 0.155 1
1 909 . 7 1 1 A 86 86 SER N N 86 122.195 114.573 7.622 1
1 910 . 7 1 1 A 87 87 MET H H 87 8.576 8.213 0.363 1
1 911 . 7 1 1 A 87 87 MET HA H 87 4.475 4.593 -0.118 1
1 918 . 7 1 1 A 87 87 MET CA C 87 57.520 58.375 -0.855 1
1 919 . 7 1 1 A 87 87 MET CB C 87 33.210 33.505 -0.295 1
1 922 . 7 1 1 A 87 87 MET N N 87 121.299 119.485 1.814 1
1 923 . 7 1 1 A 88 88 TYR H H 88 6.778 7.882 -1.104 1
1 924 . 7 1 1 A 88 88 TYR HA H 88 5.023 5.000 0.023 1
1 931 . 7 1 1 A 88 88 TYR CA C 88 56.300 58.291 -1.991 1
1 932 . 7 1 1 A 88 88 TYR CB C 88 42.530 39.906 2.624 1
1 935 . 7 1 1 A 88 88 TYR N N 88 113.420 116.482 -3.062 1
1 936 . 7 1 1 A 89 89 GLN H H 89 9.567 9.443 0.124 1
1 937 . 7 1 1 A 89 89 GLN HA H 89 4.857 5.040 -0.183 1
1 944 . 7 1 1 A 89 89 GLN CA C 89 55.870 54.743 1.127 1
1 945 . 7 1 1 A 89 89 GLN CB C 89 30.430 32.544 -2.114 1
1 947 . 7 1 1 A 89 89 GLN N N 89 115.440 119.298 -3.858 1
1 949 . 7 1 1 A 90 90 ARG H H 90 8.772 8.664 0.108 1
1 950 . 7 1 1 A 90 90 ARG HA H 90 4.499 4.109 0.390 1
1 958 . 7 1 1 A 90 90 ARG CA C 90 56.620 56.855 -0.235 1
1 959 . 7 1 1 A 90 90 ARG CB C 90 29.020 30.807 -1.787 1
1 962 . 7 1 1 A 90 90 ARG N N 90 123.860 125.588 -1.728 1
1 964 . 7 1 1 A 91 91 THR H H 91 9.217 8.897 0.320 1
1 965 . 7 1 1 A 91 91 THR HA H 91 4.518 4.941 -0.423 1
1 970 . 7 1 1 A 91 91 THR CA C 91 60.570 61.067 -0.497 1
1 971 . 7 1 1 A 91 91 THR CB C 91 71.050 72.955 -1.905 1
1 973 . 7 1 1 A 91 91 THR N N 91 125.064 120.537 4.527 1
1 974 . 7 1 1 A 92 92 ALA H H 92 8.655 8.766 -0.111 1
1 975 . 7 1 1 A 92 92 ALA HA H 92 5.041 5.598 -0.557 1
1 979 . 7 1 1 A 92 92 ALA CA C 92 51.320 49.870 1.450 1
1 980 . 7 1 1 A 92 92 ALA CB C 92 19.480 22.819 -3.339 1
1 981 . 7 1 1 A 92 92 ALA N N 92 126.963 124.138 2.825 1
1 982 . 7 1 1 A 93 93 LEU H H 93 9.005 8.662 0.343 1
1 983 . 7 1 1 A 93 93 LEU HA H 93 4.720 5.261 -0.541 1
1 993 . 7 1 1 A 93 93 LEU CA C 93 53.750 53.417 0.333 1
1 994 . 7 1 1 A 93 93 LEU CB C 93 45.340 46.113 -0.773 1
1 998 . 7 1 1 A 93 93 LEU N N 93 122.440 117.366 5.074 1
1 999 . 7 1 1 A 94 94 GLN H H 94 8.360 8.848 -0.488 1
1 1000 . 7 1 1 A 94 94 GLN HA H 94 4.229 4.862 -0.633 1
1 1005 . 7 1 1 A 94 94 GLN CA C 94 56.040 54.492 1.548 1
1 1006 . 7 1 1 A 94 94 GLN CB C 94 28.780 31.142 -2.362 1
1 1008 . 7 1 1 A 94 94 GLN N N 94 119.357 119.678 -0.321 1
1 1010 . 7 1 1 A 95 95 VAL H H 95 8.612 9.101 -0.489 1
1 1011 . 7 1 1 A 95 95 VAL HA H 95 4.013 4.380 -0.367 1
1 1019 . 7 1 1 A 95 95 VAL CA C 95 61.440 60.652 0.788 1
1 1020 . 7 1 1 A 95 95 VAL CB C 95 35.110 34.258 0.852 1
1 1023 . 7 1 1 A 95 95 VAL N N 95 126.928 126.809 0.119 1
1 1024 . 7 1 1 A 96 96 GLN H H 96 9.222 8.635 0.587 1
1 1025 . 7 1 1 A 96 96 GLN HA H 96 4.279 4.575 -0.296 1
1 1032 . 7 1 1 A 96 96 GLN CA C 96 55.150 55.135 0.015 1
1 1033 . 7 1 1 A 96 96 GLN CB C 96 29.100 30.144 -1.044 1
1 1035 . 7 1 1 A 96 96 GLN N N 96 128.360 125.574 2.786 1
1 1037 . 7 1 1 A 97 97 VAL H H 97 8.233 8.402 -0.169 1
1 1038 . 7 1 1 A 97 97 VAL HA H 97 3.674 4.509 -0.835 1
1 1046 . 7 1 1 A 97 97 VAL CA C 97 64.040 61.585 2.455 1
1 1047 . 7 1 1 A 97 97 VAL CB C 97 31.920 32.016 -0.096 1
1 1050 . 7 1 1 A 97 97 VAL N N 97 128.120 125.036 3.084 1
1 1051 . 7 1 1 A 98 98 LEU H H 98 8.880 8.953 -0.073 1
1 1052 . 7 1 1 A 98 98 LEU HA H 98 4.472 4.305 0.167 1
1 1059 . 7 1 1 A 98 98 LEU CA C 98 55.641 56.083 -0.442 1
1 1060 . 7 1 1 A 98 98 LEU CB C 98 42.510 42.974 -0.464 1
1 1063 . 7 1 1 A 98 98 LEU N N 98 128.877 131.582 -2.705 1
1 1064 . 7 1 1 A 99 99 GLU H H 99 7.682 7.457 0.225 1
1 1065 . 7 1 1 A 99 99 GLU HA H 99 4.403 4.786 -0.383 1
1 1070 . 7 1 1 A 99 99 GLU CA C 99 56.310 56.042 0.268 1
1 1071 . 7 1 1 A 99 99 GLU CB C 99 32.790 33.318 -0.528 1
1 1073 . 7 1 1 A 99 99 GLU N N 99 118.210 116.939 1.271 1
1 1074 . 7 1 1 A 100 100 TRP H H 100 8.883 8.776 0.107 1
1 1075 . 7 1 1 A 100 100 TRP HA H 100 5.205 5.189 0.016 1
1 1084 . 7 1 1 A 100 100 TRP CA C 100 55.982 56.329 -0.347 1
1 1085 . 7 1 1 A 100 100 TRP CB C 100 32.430 32.836 -0.406 1
1 1091 . 7 1 1 A 100 100 TRP N N 100 126.421 127.119 -0.698 1
1 1093 . 7 1 1 A 101 101 GLU H H 101 8.116 8.149 -0.033 1
1 1094 . 7 1 1 A 101 101 GLU HA H 101 4.462 4.626 -0.164 1
1 1098 . 7 1 1 A 101 101 GLU CA C 101 55.050 55.368 -0.318 1
1 1099 . 7 1 1 A 101 101 GLU CB C 101 30.950 30.071 0.879 1
1 1101 . 7 1 1 A 101 101 GLU N N 101 128.535 126.500 2.035 1
1 1102 . 7 1 1 A 102 102 GLY H H 102 7.614 8.159 -0.545 1
1 1103 . 7 1 1 A 102 102 GLY HA2 H 102 3.853 4.021 -0.168 1
1 1104 . 7 1 1 A 102 102 GLY HA3 H 102 3.905 4.078 -0.173 1
1 1105 . 7 1 1 A 102 102 GLY CA C 102 44.440 43.917 0.523 1
1 1106 . 7 1 1 A 102 102 GLY N N 102 108.953 113.655 -4.702 1
1 1107 . 7 1 1 A 103 103 ASP H H 103 8.261 8.442 -0.181 1
1 1108 . 7 1 1 A 103 103 ASP HA H 103 4.641 4.618 0.023 1
1 1111 . 7 1 1 A 103 103 ASP CA C 103 54.530 55.031 -0.501 1
1 1112 . 7 1 1 A 103 103 ASP CB C 103 41.690 41.433 0.257 1
1 1113 . 7 1 1 A 103 103 ASP N N 103 118.730 121.083 -2.353 1
1 1114 . 7 1 1 A 104 104 GLY H H 104 8.526 9.100 -0.574 1
1 1115 . 7 1 1 A 104 104 GLY HA2 H 104 3.719 4.016 -0.297 1
1 1116 . 7 1 1 A 104 104 GLY HA3 H 104 3.892 4.164 -0.272 1
1 1117 . 7 1 1 A 104 104 GLY CA C 104 45.960 46.778 -0.818 1
1 1118 . 7 1 1 A 104 104 GLY N N 104 109.230 113.692 -4.462 1
1 1119 . 7 1 1 A 105 105 ASP H H 105 7.806 8.043 -0.237 1
1 1120 . 7 1 1 A 105 105 ASP HA H 105 3.381 4.091 -0.710 1
1 1123 . 7 1 1 A 105 105 ASP CA C 105 51.020 50.381 0.639 1
1 1124 . 7 1 1 A 105 105 ASP CB C 105 41.406 40.651 0.755 1
1 1125 . 7 1 1 A 105 105 ASP N N 105 119.739 120.261 -0.522 1
1 1126 . 7 1 1 A 106 106 PRO HA H 106 4.065 4.235 -0.170 1
1 1133 . 7 1 1 A 106 106 PRO CA C 106 62.970 63.919 -0.949 1
1 1134 . 7 1 1 A 106 106 PRO CB C 106 31.660 31.828 -0.168 1
1 1137 . 7 1 1 A 107 107 GLY H H 107 7.863 7.023 0.840 1
1 1138 . 7 1 1 A 107 107 GLY HA2 H 107 3.401 3.972 -0.571 1
1 1139 . 7 1 1 A 107 107 GLY HA3 H 107 4.103 3.979 0.124 1
1 1140 . 7 1 1 A 107 107 GLY CA C 107 44.170 43.662 0.508 1
1 1141 . 7 1 1 A 107 107 GLY N N 107 109.610 107.766 1.844 1
1 1142 . 7 1 1 A 108 108 ASP H H 108 8.171 8.626 -0.455 1
1 1143 . 7 1 1 A 108 108 ASP HA H 108 4.283 4.556 -0.273 1
1 1145 . 7 1 1 A 108 108 ASP CA C 108 56.430 54.295 2.135 1
1 1146 . 7 1 1 A 108 108 ASP CB C 108 41.490 41.574 -0.084 1
1 1147 . 7 1 1 A 108 108 ASP N N 108 119.264 121.591 -2.327 1
1 1148 . 7 1 1 A 109 109 SER H H 109 7.560 7.722 -0.162 1
1 1149 . 7 1 1 A 109 109 SER HA H 109 5.188 5.198 -0.010 1
1 1152 . 7 1 1 A 109 109 SER CA C 109 56.740 56.951 -0.211 1
1 1153 . 7 1 1 A 109 109 SER CB C 109 65.780 66.256 -0.476 1
1 1154 . 7 1 1 A 109 109 SER N N 109 110.810 112.753 -1.943 1
1 1155 . 7 1 1 A 110 110 VAL H H 110 8.932 8.785 0.147 1
1 1156 . 7 1 1 A 110 110 VAL HA H 110 4.262 4.816 -0.554 1
1 1164 . 7 1 1 A 110 110 VAL CA C 110 59.470 59.520 -0.050 1
1 1165 . 7 1 1 A 110 110 VAL CB C 110 35.400 35.771 -0.371 1
1 1168 . 7 1 1 A 110 110 VAL N N 110 118.530 120.330 -1.800 1
1 1169 . 7 1 1 A 111 111 GLN H H 111 8.468 8.620 -0.152 1
1 1170 . 7 1 1 A 111 111 GLN HA H 111 4.422 4.807 -0.385 1
1 1177 . 7 1 1 A 111 111 GLN CA C 111 55.960 55.155 0.805 1
1 1178 . 7 1 1 A 111 111 GLN CB C 111 29.470 29.619 -0.149 1
1 1180 . 7 1 1 A 111 111 GLN N N 111 127.378 126.804 0.574 1
1 1182 . 7 1 1 A 112 112 CYS H H 112 8.785 8.538 0.247 1
1 1183 . 7 1 1 A 112 112 CYS HA H 112 4.782 5.125 -0.343 1
1 1186 . 7 1 1 A 112 112 CYS CA C 112 57.100 56.396 0.704 1
1 1187 . 7 1 1 A 112 112 CYS CB C 112 33.700 32.278 1.422 1
1 1188 . 7 1 1 A 112 112 CYS N N 112 122.300 122.998 -0.698 1
1 1189 . 7 1 1 A 113 113 PHE H H 113 8.838 8.501 0.337 1
1 1190 . 7 1 1 A 113 113 PHE HA H 113 5.154 5.454 -0.300 1
1 1197 . 7 1 1 A 113 113 PHE CA C 113 58.650 56.809 1.841 1
1 1198 . 7 1 1 A 113 113 PHE CB C 113 40.210 41.782 -1.572 1
1 1201 . 7 1 1 A 113 113 PHE N N 113 118.974 120.749 -1.775 1
1 1202 . 7 1 1 A 114 114 VAL H H 114 9.079 8.620 0.459 1
1 1203 . 7 1 1 A 114 114 VAL HA H 114 4.472 4.771 -0.299 1
1 1211 . 7 1 1 A 114 114 VAL CA C 114 60.650 60.885 -0.235 1
1 1212 . 7 1 1 A 114 114 VAL CB C 114 35.970 36.016 -0.046 1
1 1215 . 7 1 1 A 114 114 VAL N N 114 121.660 121.038 0.622 1
1 1216 . 7 1 1 A 115 115 TYR H H 115 9.672 8.859 0.813 1
1 1217 . 7 1 1 A 115 115 TYR HA H 115 4.988 4.904 0.084 1
1 1224 . 7 1 1 A 115 115 TYR CA C 115 59.240 57.540 1.700 1
1 1225 . 7 1 1 A 115 115 TYR CB C 115 36.925 39.364 -2.439 1
1 1228 . 7 1 1 A 115 115 TYR N N 115 127.830 125.872 1.958 1
1 1229 . 7 1 1 A 116 116 THR H H 116 9.061 9.186 -0.125 1
1 1230 . 7 1 1 A 116 116 THR HA H 116 5.435 5.328 0.107 1
1 1235 . 7 1 1 A 116 116 THR CA C 116 60.130 60.212 -0.082 1
1 1236 . 7 1 1 A 116 116 THR CB C 116 71.910 72.124 -0.214 1
1 1238 . 7 1 1 A 116 116 THR N N 116 119.130 115.170 3.960 1
1 1239 . 7 1 1 A 117 117 THR H H 117 8.707 8.681 0.026 1
1 1240 . 7 1 1 A 117 117 THR HA H 117 5.561 5.120 0.441 1
1 1245 . 7 1 1 A 117 117 THR CA C 117 60.160 60.332 -0.172 1
1 1246 . 7 1 1 A 117 117 THR CB C 117 70.170 71.320 -1.150 1
1 1248 . 7 1 1 A 117 117 THR N N 117 111.190 114.940 -3.750 1
1 1249 . 7 1 1 A 118 118 ALA H H 118 9.257 8.368 0.889 1
1 1250 . 7 1 1 A 118 118 ALA HA H 118 5.033 4.602 0.431 1
1 1254 . 7 1 1 A 118 118 ALA CA C 118 51.550 52.657 -1.107 1
1 1255 . 7 1 1 A 118 118 ALA CB C 118 20.050 19.717 0.333 1
1 1256 . 7 1 1 A 118 118 ALA N N 118 132.010 128.608 3.402 1
1 1257 . 7 1 1 A 119 119 THR H H 119 8.628 7.058 1.570 1
1 1258 . 7 1 1 A 119 119 THR HA H 119 4.143 4.246 -0.103 1
1 1263 . 7 1 1 A 119 119 THR CA C 119 60.090 62.186 -2.096 1
1 1264 . 7 1 1 A 119 119 THR CB C 119 68.056 69.095 -1.039 1
1 1266 . 7 1 1 A 119 119 THR N N 119 114.350 107.056 7.294 1
1 1267 . 7 1 1 A 120 120 TYR H H 120 6.281 7.641 -1.360 1
1 1268 . 7 1 1 A 120 120 TYR HA H 120 3.594 4.061 -0.467 1
1 1273 . 7 1 1 A 120 120 TYR CA C 120 53.530 57.733 -4.203 1
1 1274 . 7 1 1 A 120 120 TYR CB C 120 40.072 38.952 1.120 1
1 1276 . 7 1 1 A 120 120 TYR N N 120 117.205 122.449 -5.244 1
1 1277 . 7 1 1 A 121 121 ALA HA H 121 5.030 4.173 0.857 1
1 1278 . 7 1 1 A 121 121 ALA CA C 121 51.536 50.413 1.123 1
1 1279 . 7 1 1 A 122 122 PRO HA H 122 4.059 4.307 -0.248 1
1 1285 . 7 1 1 A 122 122 PRO CA C 122 65.435 64.613 0.822 1
1 1286 . 7 1 1 A 122 122 PRO CB C 122 31.680 32.115 -0.435 1
1 1289 . 7 1 1 A 123 123 GLU H H 123 9.336 8.992 0.344 1
1 1290 . 7 1 1 A 123 123 GLU HA H 123 4.169 4.527 -0.358 1
1 1294 . 7 1 1 A 123 123 GLU CA C 123 59.100 59.245 -0.145 1
1 1295 . 7 1 1 A 123 123 GLU CB C 123 27.940 28.922 -0.982 1
1 1297 . 7 1 1 A 123 123 GLU N N 123 115.528 115.800 -0.272 1
1 1298 . 7 1 1 A 124 124 TRP H H 124 8.560 7.565 0.995 1
1 1299 . 7 1 1 A 124 124 TRP HA H 124 4.671 4.691 -0.020 1
1 1308 . 7 1 1 A 124 124 TRP CA C 124 57.370 58.512 -1.142 1
1 1309 . 7 1 1 A 124 124 TRP CB C 124 28.310 28.496 -0.186 1
1 1315 . 7 1 1 A 124 124 TRP N N 124 123.431 119.257 4.174 1
1 1317 . 7 1 1 A 125 125 LEU H H 125 7.378 7.408 -0.030 1
1 1318 . 7 1 1 A 125 125 LEU HA H 125 4.065 4.185 -0.120 1
1 1328 . 7 1 1 A 125 125 LEU CA C 125 56.060 56.222 -0.162 1
1 1329 . 7 1 1 A 125 125 LEU CB C 125 41.220 41.910 -0.690 1
1 1333 . 7 1 1 A 125 125 LEU N N 125 113.660 119.744 -6.084 1
1 1334 . 7 1 1 A 126 126 PHE H H 126 7.415 7.249 0.166 1
1 1335 . 7 1 1 A 126 126 PHE HA H 126 4.640 4.451 0.189 1
1 1342 . 7 1 1 A 126 126 PHE CA C 126 56.940 59.778 -2.838 1
1 1343 . 7 1 1 A 126 126 PHE CB C 126 38.670 39.894 -1.224 1
1 1346 . 7 1 1 A 126 126 PHE N N 126 116.360 115.704 0.656 1
1 1347 . 7 1 1 A 127 127 LEU H H 127 7.168 7.470 -0.302 1
1 1348 . 7 1 1 A 127 127 LEU HA H 127 4.529 4.473 0.056 1
1 1358 . 7 1 1 A 127 127 LEU CA C 127 53.580 53.653 -0.073 1
1 1359 . 7 1 1 A 127 127 LEU CB C 127 40.832 42.068 -1.236 1
1 1363 . 7 1 1 A 127 127 LEU N N 127 122.990 118.508 4.482 1
1 1364 . 7 1 1 A 128 128 PRO HA H 128 3.986 4.665 -0.679 1
1 1371 . 7 1 1 A 128 128 PRO CA C 128 63.140 62.170 0.970 1
1 1372 . 7 1 1 A 128 128 PRO CB C 128 31.993 32.596 -0.603 1
1 1375 . 7 1 1 A 129 129 TYR H H 129 8.070 8.336 -0.266 1
1 1376 . 7 1 1 A 129 129 TYR HA H 129 5.529 5.213 0.316 1
1 1383 . 7 1 1 A 129 129 TYR CA C 129 52.486 57.361 -4.875 1
1 1384 . 7 1 1 A 129 129 TYR CB C 129 36.760 41.101 -4.341 1
1 1387 . 7 1 1 A 129 129 TYR N N 129 120.100 121.188 -1.088 1
1 1388 . 7 1 1 A 130 130 HIS H H 130 9.193 8.867 0.326 1
1 1389 . 7 1 1 A 130 130 HIS HA H 130 4.733 5.222 -0.489 1
1 1393 . 7 1 1 A 130 130 HIS CA C 130 55.920 55.043 0.877 1
1 1394 . 7 1 1 A 130 130 HIS CB C 130 32.908 34.814 -1.906 1
1 1396 . 7 1 1 A 130 130 HIS N N 130 121.985 118.064 3.921 1
1 1397 . 7 1 1 A 131 131 GLU H H 131 9.093 9.025 0.068 1
1 1398 . 7 1 1 A 131 131 GLU HA H 131 4.277 4.915 -0.638 1
1 1402 . 7 1 1 A 131 131 GLU CA C 131 58.110 56.862 1.248 1
1 1403 . 7 1 1 A 131 131 GLU CB C 131 30.700 32.765 -2.065 1
1 1405 . 7 1 1 A 131 131 GLU N N 131 122.150 121.246 0.904 1
1 1406 . 7 1 1 A 132 132 SER H H 132 7.621 8.015 -0.394 1
1 1407 . 7 1 1 A 132 132 SER HA H 132 4.686 5.193 -0.507 1
1 1410 . 7 1 1 A 132 132 SER CA C 132 56.340 57.257 -0.917 1
1 1411 . 7 1 1 A 132 132 SER CB C 132 65.050 66.205 -1.155 1
1 1412 . 7 1 1 A 132 132 SER N N 132 108.030 112.793 -4.763 1
1 1413 . 7 1 1 A 133 133 TYR H H 133 8.667 8.910 -0.243 1
1 1414 . 7 1 1 A 133 133 TYR HA H 133 4.564 4.904 -0.340 1
1 1419 . 7 1 1 A 133 133 TYR CA C 133 57.910 58.270 -0.360 1
1 1420 . 7 1 1 A 133 133 TYR CB C 133 40.720 40.124 0.596 1
1 1422 . 7 1 1 A 133 133 TYR N N 133 121.977 124.381 -2.404 1
1 1423 . 7 1 1 A 134 134 ASP H H 134 7.303 8.561 -1.258 1
1 1424 . 7 1 1 A 134 134 ASP HA H 134 3.944 4.953 -1.009 1
1 1427 . 7 1 1 A 134 134 ASP CA C 134 52.540 54.120 -1.580 1
1 1428 . 7 1 1 A 134 134 ASP CB C 134 42.900 44.987 -2.087 1
1 1429 . 7 1 1 A 134 134 ASP N N 134 127.820 127.195 0.625 1
1 1430 . 7 1 1 A 135 135 SER H H 135 9.392 8.809 0.583 1
1 1431 . 7 1 1 A 135 135 SER HA H 135 3.945 4.329 -0.384 1
1 1434 . 7 1 1 A 135 135 SER CA C 135 61.770 60.365 1.405 1
1 1435 . 7 1 1 A 135 135 SER CB C 135 63.561 63.142 0.419 1
1 1436 . 7 1 1 A 135 135 SER N N 135 127.670 120.462 7.208 1
1 1437 . 7 1 1 A 136 136 GLU H H 136 7.546 7.550 -0.004 1
1 1438 . 7 1 1 A 136 136 GLU HA H 136 4.233 4.357 -0.124 1
1 1443 . 7 1 1 A 136 136 GLU CA C 136 54.796 56.964 -2.168 1
1 1444 . 7 1 1 A 136 136 GLU CB C 136 28.420 30.258 -1.838 1
1 1446 . 7 1 1 A 136 136 GLU N N 136 113.107 118.240 -5.133 1
1 1447 . 7 1 1 A 137 137 GLY H H 137 7.241 8.036 -0.795 1
1 1448 . 7 1 1 A 137 137 GLY HA2 H 137 3.994 3.995 -0.001 1
1 1449 . 7 1 1 A 137 137 GLY HA3 H 137 3.503 4.035 -0.532 1
1 1450 . 7 1 1 A 137 137 GLY CA C 137 44.880 44.789 0.091 1
1 1451 . 7 1 1 A 137 137 GLY N N 137 104.690 108.205 -3.515 1
1 1452 . 7 1 1 A 138 138 PRO HA H 138 4.211 4.381 -0.170 1
1 1459 . 7 1 1 A 138 138 PRO CA C 138 64.830 63.814 1.016 1
1 1460 . 7 1 1 A 138 138 PRO CB C 138 31.180 31.949 -0.769 1
1 1463 . 7 1 1 A 139 139 HIS H H 139 6.414 7.452 -1.038 1
1 1464 . 7 1 1 A 139 139 HIS HA H 139 4.299 4.391 -0.092 1
1 1467 . 7 1 1 A 139 139 HIS CA C 139 55.080 57.996 -2.916 1
1 1468 . 7 1 1 A 139 139 HIS CB C 139 30.260 29.947 0.313 1
1 1470 . 7 1 1 A 139 139 HIS N N 139 116.498 116.966 -0.468 1
1 1471 . 7 1 1 A 140 140 GLY H H 140 7.082 8.463 -1.381 1
1 1472 . 7 1 1 A 140 140 GLY HA2 H 140 3.919 3.927 -0.008 1
1 1473 . 7 1 1 A 140 140 GLY HA3 H 140 3.721 3.934 -0.213 1
1 1474 . 7 1 1 A 140 140 GLY CA C 140 46.590 45.450 1.140 1
1 1475 . 7 1 1 A 140 140 GLY N N 140 108.485 107.920 0.565 1
1 1476 . 7 1 1 A 141 141 LEU HA H 141 4.451 4.706 -0.255 1
1 1483 . 7 1 1 A 141 141 LEU CA C 141 53.024 53.941 -0.917 1
1 1484 . 7 1 1 A 141 141 LEU CB C 141 39.500 42.971 -3.471 1
1 1487 . 7 1 1 A 142 142 ARG H H 142 7.472 8.828 -1.356 1
1 1488 . 7 1 1 A 142 142 ARG HA H 142 4.724 4.981 -0.257 1
1 1493 . 7 1 1 A 142 142 ARG CA C 142 55.940 54.022 1.918 1
1 1494 . 7 1 1 A 142 142 ARG CB C 142 31.070 34.738 -3.668 1
1 1497 . 7 1 1 A 142 142 ARG N N 142 121.987 122.314 -0.327 1
1 1499 . 7 1 1 A 143 143 TYR H H 143 8.487 8.974 -0.487 1
1 1500 . 7 1 1 A 143 143 TYR HA H 143 4.474 4.879 -0.405 1
1 1507 . 7 1 1 A 143 143 TYR CA C 143 59.015 59.423 -0.408 1
1 1508 . 7 1 1 A 143 143 TYR CB C 143 38.720 39.007 -0.287 1
1 1511 . 7 1 1 A 143 143 TYR N N 143 127.896 123.675 4.221 1
1 1512 . 7 1 1 A 144 144 ASN H H 144 7.805 8.336 -0.531 1
1 1513 . 7 1 1 A 144 144 ASN HA H 144 4.892 5.316 -0.424 1
1 1518 . 7 1 1 A 144 144 ASN CA C 144 50.120 50.418 -0.298 1
1 1519 . 7 1 1 A 144 144 ASN CB C 144 39.360 39.339 0.021 1
1 1520 . 7 1 1 A 144 144 ASN N N 144 125.629 126.220 -0.591 1
1 1522 . 7 1 1 A 145 145 PRO HA H 145 3.975 3.919 0.056 1
1 1528 . 7 1 1 A 145 145 PRO CA C 145 63.140 64.785 -1.645 1
1 1529 . 7 1 1 A 145 145 PRO CB C 145 32.386 31.333 1.053 1
1 1532 . 7 1 1 A 146 146 ARG H H 146 8.055 7.837 0.218 1
1 1533 . 7 1 1 A 146 146 ARG HA H 146 3.918 4.455 -0.537 1
1 1541 . 7 1 1 A 146 146 ARG CA C 146 56.740 55.477 1.263 1
1 1542 . 7 1 1 A 146 146 ARG CB C 146 30.430 32.171 -1.741 1
1 1545 . 7 1 1 A 146 146 ARG N N 146 120.069 116.396 3.673 1
1 1547 . 7 1 1 A 147 147 GLU H H 147 8.440 8.046 0.394 1
1 1548 . 7 1 1 A 147 147 GLU HA H 147 4.167 4.058 0.109 1
1 1552 . 7 1 1 A 147 147 GLU CA C 147 56.710 57.699 -0.989 1
1 1553 . 7 1 1 A 147 147 GLU CB C 147 30.150 28.605 1.545 1
1 1555 . 7 1 1 A 147 147 GLU N N 147 120.760 118.389 2.371 1
1 1556 . 7 1 1 A 148 148 ASN H H 148 8.363 7.794 0.569 1
1 1557 . 7 1 1 A 148 148 ASN HA H 148 4.652 4.875 -0.223 1
1 1562 . 7 1 1 A 148 148 ASN CA C 148 53.240 52.194 1.046 1
1 1563 . 7 1 1 A 148 148 ASN CB C 148 38.840 40.212 -1.372 1
1 1564 . 7 1 1 A 148 148 ASN N N 148 120.210 116.598 3.612 1
1 1 . 8 1 1 A 2 2 ALA HA H 2 4.182 4.710 -0.528 1
1 5 . 8 1 1 A 2 2 ALA CA C 2 51.510 51.544 -0.034 1
1 6 . 8 1 1 A 2 2 ALA CB C 2 20.090 19.826 0.264 1
1 7 . 8 1 1 A 3 3 HIS H H 3 9.173 8.662 0.511 1
1 8 . 8 1 1 A 3 3 HIS HA H 3 5.839 4.798 1.041 1
1 12 . 8 1 1 A 3 3 HIS CA C 3 56.960 57.226 -0.266 1
1 13 . 8 1 1 A 3 3 HIS CB C 3 32.820 30.430 2.390 1
1 15 . 8 1 1 A 3 3 HIS N N 3 118.801 123.013 -4.212 1
1 16 . 8 1 1 A 4 4 ILE H H 4 9.494 9.348 0.146 1
1 17 . 8 1 1 A 4 4 ILE HA H 4 5.508 5.490 0.018 1
1 27 . 8 1 1 A 4 4 ILE CA C 4 58.300 59.558 -1.258 1
1 28 . 8 1 1 A 4 4 ILE CB C 4 41.930 42.232 -0.302 1
1 32 . 8 1 1 A 4 4 ILE N N 4 118.202 119.466 -1.264 1
1 33 . 8 1 1 A 5 5 PHE H H 5 8.815 8.899 -0.084 1
1 34 . 8 1 1 A 5 5 PHE HA H 5 5.789 5.458 0.331 1
1 42 . 8 1 1 A 5 5 PHE CA C 5 55.153 56.434 -1.281 1
1 43 . 8 1 1 A 5 5 PHE CB C 5 40.740 43.064 -2.324 1
1 47 . 8 1 1 A 5 5 PHE N N 5 126.107 124.194 1.913 1
1 48 . 8 1 1 A 6 6 VAL H H 6 9.078 8.232 0.846 1
1 49 . 8 1 1 A 6 6 VAL HA H 6 4.357 4.151 0.206 1
1 57 . 8 1 1 A 6 6 VAL CA C 6 59.157 59.673 -0.516 1
1 58 . 8 1 1 A 6 6 VAL CB C 6 33.473 33.631 -0.158 1
1 61 . 8 1 1 A 6 6 VAL N N 6 118.658 126.952 -8.294 1
1 62 . 8 1 1 A 7 7 TYR H H 7 6.878 7.669 -0.791 1
1 63 . 8 1 1 A 7 7 TYR HA H 7 4.170 4.520 -0.350 1
1 66 . 8 1 1 A 7 7 TYR CB C 7 36.608 39.230 -2.622 1
1 67 . 8 1 1 A 7 7 TYR N N 7 116.860 128.003 -11.143 1
1 68 . 8 1 1 A 8 8 GLY HA2 H 8 4.195 4.158 0.037 1
1 69 . 8 1 1 A 8 8 GLY HA3 H 8 2.933 4.261 -1.328 1
1 70 . 8 1 1 A 8 8 GLY CA C 8 46.169 45.596 0.573 1
1 71 . 8 1 1 A 9 9 THR H H 9 7.618 7.489 0.129 1
1 72 . 8 1 1 A 9 9 THR HA H 9 3.831 4.555 -0.724 1
1 77 . 8 1 1 A 9 9 THR CA C 9 64.570 61.339 3.231 1
1 78 . 8 1 1 A 9 9 THR CB C 9 68.494 70.665 -2.171 1
1 80 . 8 1 1 A 9 9 THR N N 9 115.934 109.607 6.327 1
1 81 . 8 1 1 A 10 10 LEU H H 10 7.561 7.397 0.164 1
1 82 . 8 1 1 A 10 10 LEU HA H 10 3.673 4.234 -0.561 1
1 92 . 8 1 1 A 10 10 LEU CA C 10 55.950 53.325 2.625 1
1 93 . 8 1 1 A 10 10 LEU CB C 10 41.610 42.463 -0.853 1
1 97 . 8 1 1 A 10 10 LEU N N 10 120.151 121.833 -1.682 1
1 98 . 8 1 1 A 11 11 LYS H H 11 6.738 8.201 -1.463 1
1 99 . 8 1 1 A 11 11 LYS HA H 11 4.007 4.305 -0.298 1
1 103 . 8 1 1 A 11 11 LYS CA C 11 57.390 57.412 -0.022 1
1 104 . 8 1 1 A 11 11 LYS CB C 11 34.322 32.990 1.332 1
1 106 . 8 1 1 A 11 11 LYS N N 11 116.295 123.373 -7.078 1
1 107 . 8 1 1 A 12 12 ARG H H 12 9.432 8.496 0.936 1
1 108 . 8 1 1 A 12 12 ARG HA H 12 2.029 4.125 -2.096 1
1 115 . 8 1 1 A 12 12 ARG CA C 12 58.420 58.219 0.201 1
1 116 . 8 1 1 A 12 12 ARG CB C 12 29.190 30.832 -1.642 1
1 119 . 8 1 1 A 12 12 ARG N N 12 120.863 120.619 0.244 1
1 120 . 8 1 1 A 13 13 GLY H H 13 8.048 7.318 0.730 1
1 121 . 8 1 1 A 13 13 GLY HA2 H 13 3.990 4.143 -0.153 1
1 122 . 8 1 1 A 13 13 GLY HA3 H 13 3.538 4.229 -0.691 1
1 123 . 8 1 1 A 13 13 GLY CA C 13 45.490 45.795 -0.305 1
1 124 . 8 1 1 A 13 13 GLY N N 13 111.120 103.426 7.694 1
1 125 . 8 1 1 A 14 14 GLN H H 14 7.904 9.220 -1.316 1
1 126 . 8 1 1 A 14 14 GLN HA H 14 4.682 5.016 -0.334 1
1 133 . 8 1 1 A 14 14 GLN CA C 14 53.440 53.132 0.308 1
1 134 . 8 1 1 A 14 14 GLN CB C 14 27.115 32.221 -5.106 1
1 136 . 8 1 1 A 14 14 GLN N N 14 117.811 121.565 -3.754 1
1 138 . 8 1 1 A 15 15 PRO HA H 15 4.342 4.630 -0.288 1
1 145 . 8 1 1 A 15 15 PRO CA C 15 66.870 62.582 4.288 1
1 146 . 8 1 1 A 15 15 PRO CB C 15 34.060 29.312 4.748 1
1 149 . 8 1 1 A 16 16 ASN H H 16 8.287 8.819 -0.532 1
1 150 . 8 1 1 A 16 16 ASN HA H 16 5.356 4.951 0.405 1
1 155 . 8 1 1 A 16 16 ASN CA C 16 52.230 52.898 -0.668 1
1 156 . 8 1 1 A 16 16 ASN CB C 16 39.030 40.022 -0.992 1
1 157 . 8 1 1 A 16 16 ASN N N 16 110.638 116.326 -5.688 1
1 159 . 8 1 1 A 17 17 HIS H H 17 7.819 7.949 -0.130 1
1 160 . 8 1 1 A 17 17 HIS HA H 17 3.815 4.151 -0.336 1
1 164 . 8 1 1 A 17 17 HIS CA C 17 60.140 59.911 0.229 1
1 165 . 8 1 1 A 17 17 HIS CB C 17 27.680 29.940 -2.260 1
1 167 . 8 1 1 A 17 17 HIS N N 17 121.058 119.365 1.693 1
1 168 . 8 1 1 A 18 18 LYS H H 18 8.326 8.062 0.264 1
1 169 . 8 1 1 A 18 18 LYS HA H 18 3.695 3.813 -0.118 1
1 175 . 8 1 1 A 18 18 LYS CA C 18 58.890 58.612 0.278 1
1 176 . 8 1 1 A 18 18 LYS CB C 18 31.070 31.644 -0.574 1
1 180 . 8 1 1 A 18 18 LYS N N 18 112.812 117.651 -4.839 1
1 181 . 8 1 1 A 19 19 VAL H H 19 7.373 7.613 -0.240 1
1 182 . 8 1 1 A 19 19 VAL HA H 19 3.816 3.338 0.478 1
1 190 . 8 1 1 A 19 19 VAL CA C 19 64.960 65.025 -0.065 1
1 191 . 8 1 1 A 19 19 VAL CB C 19 30.960 30.783 0.177 1
1 194 . 8 1 1 A 19 19 VAL N N 19 117.691 115.752 1.939 1
1 195 . 8 1 1 A 20 20 MET H H 20 7.329 8.026 -0.697 1
1 196 . 8 1 1 A 20 20 MET HA H 20 3.951 4.279 -0.328 1
1 204 . 8 1 1 A 20 20 MET CA C 20 55.560 56.287 -0.727 1
1 205 . 8 1 1 A 20 20 MET CB C 20 31.460 31.152 0.308 1
1 208 . 8 1 1 A 20 20 MET N N 20 114.870 118.255 -3.385 1
1 209 . 8 1 1 A 21 21 LEU H H 21 6.718 7.477 -0.759 1
1 210 . 8 1 1 A 21 21 LEU HA H 21 4.091 4.507 -0.416 1
1 220 . 8 1 1 A 21 21 LEU CA C 21 54.140 54.500 -0.360 1
1 221 . 8 1 1 A 21 21 LEU CB C 21 42.310 42.143 0.167 1
1 225 . 8 1 1 A 21 21 LEU N N 21 116.021 118.735 -2.714 1
1 226 . 8 1 1 A 22 22 ASP H H 22 6.399 7.270 -0.871 1
1 227 . 8 1 1 A 22 22 ASP HA H 22 4.288 4.803 -0.515 1
1 229 . 8 1 1 A 22 22 ASP CA C 22 52.776 53.454 -0.678 1
1 230 . 8 1 1 A 22 22 ASP CB C 22 40.180 41.501 -1.321 1
1 231 . 8 1 1 A 22 22 ASP N N 22 117.972 117.394 0.578 1
1 232 . 8 1 1 A 23 23 HIS H H 23 8.601 8.085 0.516 1
1 233 . 8 1 1 A 23 23 HIS HA H 23 4.848 4.238 0.610 1
1 237 . 8 1 1 A 23 23 HIS CA C 23 55.800 56.537 -0.737 1
1 238 . 8 1 1 A 23 23 HIS CB C 23 27.860 28.511 -0.651 1
1 240 . 8 1 1 A 23 23 HIS N N 23 123.395 116.601 6.794 1
1 241 . 8 1 1 A 24 24 SER H H 24 8.526 7.915 0.611 1
1 242 . 8 1 1 A 24 24 SER HA H 24 4.105 4.352 -0.247 1
1 244 . 8 1 1 A 24 24 SER CA C 24 60.870 60.487 0.383 1
1 245 . 8 1 1 A 24 24 SER CB C 24 62.510 63.643 -1.133 1
1 246 . 8 1 1 A 24 24 SER N N 24 117.035 114.519 2.516 1
1 247 . 8 1 1 A 25 25 HIS H H 25 7.450 8.013 -0.563 1
1 248 . 8 1 1 A 25 25 HIS HA H 25 4.494 3.953 0.541 1
1 252 . 8 1 1 A 25 25 HIS CA C 25 53.900 57.798 -3.898 1
1 253 . 8 1 1 A 25 25 HIS CB C 25 28.320 29.783 -1.463 1
1 255 . 8 1 1 A 25 25 HIS N N 25 117.560 117.054 0.506 1
1 256 . 8 1 1 A 26 26 GLY H H 26 6.926 7.243 -0.317 1
1 257 . 8 1 1 A 26 26 GLY HA2 H 26 3.587 3.899 -0.312 1
1 258 . 8 1 1 A 26 26 GLY HA3 H 26 4.362 4.010 0.352 1
1 259 . 8 1 1 A 26 26 GLY CA C 26 43.730 45.428 -1.698 1
1 260 . 8 1 1 A 26 26 GLY N N 26 103.120 104.232 -1.112 1
1 261 . 8 1 1 A 27 27 LEU H H 27 8.579 8.514 0.065 1
1 262 . 8 1 1 A 27 27 LEU HA H 27 4.327 5.162 -0.835 1
1 271 . 8 1 1 A 27 27 LEU CA C 27 54.520 54.049 0.471 1
1 272 . 8 1 1 A 27 27 LEU CB C 27 44.250 44.183 0.067 1
1 276 . 8 1 1 A 27 27 LEU N N 27 121.940 121.359 0.581 1
1 277 . 8 1 1 A 28 28 ALA H H 28 7.776 8.999 -1.223 1
1 278 . 8 1 1 A 28 28 ALA HA H 28 5.231 5.517 -0.286 1
1 282 . 8 1 1 A 28 28 ALA CA C 28 50.990 50.270 0.720 1
1 283 . 8 1 1 A 28 28 ALA CB C 28 22.580 23.945 -1.365 1
1 284 . 8 1 1 A 28 28 ALA N N 28 123.020 128.680 -5.660 1
1 285 . 8 1 1 A 29 29 ALA H H 29 9.231 8.556 0.675 1
1 286 . 8 1 1 A 29 29 ALA HA H 29 4.857 5.226 -0.369 1
1 290 . 8 1 1 A 29 29 ALA CA C 29 50.661 50.809 -0.148 1
1 291 . 8 1 1 A 29 29 ALA CB C 29 21.140 23.039 -1.899 1
1 292 . 8 1 1 A 29 29 ALA N N 29 125.760 121.193 4.567 1
1 293 . 8 1 1 A 30 30 PHE H H 30 9.083 9.139 -0.056 1
1 294 . 8 1 1 A 30 30 PHE HA H 30 3.397 4.345 -0.948 1
1 301 . 8 1 1 A 30 30 PHE CA C 30 59.895 58.510 1.385 1
1 302 . 8 1 1 A 30 30 PHE CB C 30 38.810 39.170 -0.360 1
1 305 . 8 1 1 A 30 30 PHE N N 30 126.590 124.094 2.496 1
1 306 . 8 1 1 A 31 31 ARG H H 31 8.102 8.530 -0.428 1
1 307 . 8 1 1 A 31 31 ARG HA H 31 3.941 4.166 -0.225 1
1 314 . 8 1 1 A 31 31 ARG CA C 31 53.120 54.180 -1.060 1
1 315 . 8 1 1 A 31 31 ARG CB C 31 31.665 30.404 1.261 1
1 318 . 8 1 1 A 31 31 ARG N N 31 125.007 127.106 -2.099 1
1 320 . 8 1 1 A 32 32 GLY H H 32 5.465 7.243 -1.778 1
1 321 . 8 1 1 A 32 32 GLY HA2 H 32 3.264 3.580 -0.316 1
1 322 . 8 1 1 A 32 32 GLY HA3 H 32 4.670 3.747 0.923 1
1 323 . 8 1 1 A 32 32 GLY CA C 32 45.150 44.116 1.034 1
1 324 . 8 1 1 A 32 32 GLY N N 32 101.400 113.405 -12.005 1
1 325 . 8 1 1 A 33 33 ARG H H 33 8.345 8.270 0.075 1
1 326 . 8 1 1 A 33 33 ARG HA H 33 5.158 5.103 0.055 1
1 332 . 8 1 1 A 33 33 ARG CA C 33 54.924 54.092 0.832 1
1 333 . 8 1 1 A 33 33 ARG CB C 33 34.180 34.058 0.122 1
1 336 . 8 1 1 A 33 33 ARG N N 33 116.822 116.308 0.514 1
1 338 . 8 1 1 A 34 34 GLY H H 34 8.549 8.637 -0.088 1
1 339 . 8 1 1 A 34 34 GLY HA2 H 34 5.154 4.234 0.920 1
1 340 . 8 1 1 A 34 34 GLY HA3 H 34 3.752 4.249 -0.497 1
1 341 . 8 1 1 A 34 34 GLY CA C 34 45.620 45.832 -0.212 1
1 342 . 8 1 1 A 34 34 GLY N N 34 107.400 105.972 1.428 1
1 343 . 8 1 1 A 35 35 CYS H H 35 8.803 8.199 0.604 1
1 344 . 8 1 1 A 35 35 CYS HA H 35 5.893 5.625 0.268 1
1 347 . 8 1 1 A 35 35 CYS CA C 35 55.420 57.732 -2.312 1
1 348 . 8 1 1 A 35 35 CYS CB C 35 30.960 30.962 -0.002 1
1 349 . 8 1 1 A 35 35 CYS N N 35 117.781 117.386 0.395 1
1 350 . 8 1 1 A 36 36 THR H H 36 9.033 8.914 0.119 1
1 351 . 8 1 1 A 36 36 THR HA H 36 3.835 4.646 -0.811 1
1 356 . 8 1 1 A 36 36 THR CA C 36 64.160 60.956 3.204 1
1 357 . 8 1 1 A 36 36 THR CB C 36 68.200 69.132 -0.932 1
1 359 . 8 1 1 A 36 36 THR N N 36 117.973 114.116 3.857 1
1 360 . 8 1 1 A 37 37 VAL H H 37 7.545 8.440 -0.895 1
1 361 . 8 1 1 A 37 37 VAL HA H 37 3.709 3.801 -0.092 1
1 369 . 8 1 1 A 37 37 VAL CA C 37 65.740 65.163 0.577 1
1 370 . 8 1 1 A 37 37 VAL CB C 37 32.410 31.378 1.032 1
1 373 . 8 1 1 A 37 37 VAL N N 37 121.706 122.426 -0.720 1
1 374 . 8 1 1 A 38 38 GLU H H 38 8.540 7.765 0.775 1
1 375 . 8 1 1 A 38 38 GLU HA H 38 4.264 4.117 0.147 1
1 380 . 8 1 1 A 38 38 GLU CA C 38 54.260 56.504 -2.244 1
1 381 . 8 1 1 A 38 38 GLU CB C 38 30.770 29.931 0.839 1
1 383 . 8 1 1 A 38 38 GLU N N 38 119.219 123.934 -4.715 1
1 384 . 8 1 1 A 39 39 SER H H 39 8.692 8.166 0.526 1
1 385 . 8 1 1 A 39 39 SER HA H 39 4.035 4.426 -0.391 1
1 388 . 8 1 1 A 39 39 SER CA C 39 57.370 59.946 -2.576 1
1 389 . 8 1 1 A 39 39 SER CB C 39 63.760 63.731 0.029 1
1 390 . 8 1 1 A 39 39 SER N N 39 118.941 119.845 -0.904 1
1 391 . 8 1 1 A 40 40 PHE H H 40 8.302 9.199 -0.897 1
1 392 . 8 1 1 A 40 40 PHE HA H 40 4.986 4.930 0.056 1
1 400 . 8 1 1 A 40 40 PHE CA C 40 57.320 55.694 1.626 1
1 401 . 8 1 1 A 40 40 PHE CB C 40 44.292 42.798 1.494 1
1 405 . 8 1 1 A 40 40 PHE N N 40 119.300 122.844 -3.544 1
1 406 . 8 1 1 A 41 41 PRO HA H 41 3.828 4.558 -0.730 1
1 413 . 8 1 1 A 41 41 PRO CA C 41 62.270 62.226 0.044 1
1 414 . 8 1 1 A 41 41 PRO CB C 41 30.790 29.099 1.691 1
1 417 . 8 1 1 A 42 42 LEU H H 42 7.964 8.386 -0.422 1
1 418 . 8 1 1 A 42 42 LEU HA H 42 5.352 4.845 0.507 1
1 427 . 8 1 1 A 42 42 LEU CA C 42 53.830 54.769 -0.939 1
1 428 . 8 1 1 A 42 42 LEU CB C 42 42.380 42.579 -0.199 1
1 431 . 8 1 1 A 42 42 LEU N N 42 129.948 123.871 6.077 1
1 432 . 8 1 1 A 43 43 VAL H H 43 8.607 9.156 -0.549 1
1 433 . 8 1 1 A 43 43 VAL HA H 43 5.296 4.949 0.347 1
1 441 . 8 1 1 A 43 43 VAL CA C 43 58.040 60.027 -1.987 1
1 442 . 8 1 1 A 43 43 VAL CB C 43 35.220 35.037 0.183 1
1 445 . 8 1 1 A 43 43 VAL N N 43 117.190 120.465 -3.275 1
1 446 . 8 1 1 A 44 44 ILE H H 44 9.056 8.794 0.262 1
1 447 . 8 1 1 A 44 44 ILE HA H 44 4.426 4.292 0.134 1
1 457 . 8 1 1 A 44 44 ILE CA C 44 61.156 60.859 0.297 1
1 458 . 8 1 1 A 44 44 ILE CB C 44 38.544 36.481 2.063 1
1 462 . 8 1 1 A 44 44 ILE N N 44 122.963 127.330 -4.367 1
1 463 . 8 1 1 A 45 45 ALA H H 45 8.701 8.399 0.302 1
1 464 . 8 1 1 A 45 45 ALA HA H 45 4.626 4.736 -0.110 1
1 468 . 8 1 1 A 45 45 ALA CA C 45 51.430 50.923 0.507 1
1 469 . 8 1 1 A 45 45 ALA CB C 45 21.670 21.872 -0.202 1
1 470 . 8 1 1 A 45 45 ALA N N 45 126.347 129.025 -2.678 1
1 471 . 8 1 1 A 46 46 GLY H H 46 8.486 8.428 0.058 1
1 472 . 8 1 1 A 46 46 GLY HA2 H 46 4.587 4.273 0.314 1
1 473 . 8 1 1 A 46 46 GLY HA3 H 46 4.084 4.297 -0.213 1
1 474 . 8 1 1 A 46 46 GLY CA C 46 44.500 44.568 -0.068 1
1 475 . 8 1 1 A 46 46 GLY N N 46 108.262 109.014 -0.752 1
1 476 . 8 1 1 A 47 47 GLU H H 47 8.938 8.928 0.010 1
1 477 . 8 1 1 A 47 47 GLU HA H 47 4.003 4.496 -0.493 1
1 480 . 8 1 1 A 47 47 GLU CA C 47 58.820 57.472 1.348 1
1 481 . 8 1 1 A 47 47 GLU CB C 47 29.500 30.773 -1.273 1
1 482 . 8 1 1 A 47 47 GLU N N 47 118.010 120.887 -2.877 1
1 483 . 8 1 1 A 48 48 HIS H H 48 8.742 7.954 0.788 1
1 484 . 8 1 1 A 48 48 HIS HA H 48 4.704 4.754 -0.050 1
1 488 . 8 1 1 A 48 48 HIS CA C 48 55.130 55.459 -0.329 1
1 489 . 8 1 1 A 48 48 HIS CB C 48 29.110 30.276 -1.166 1
1 491 . 8 1 1 A 48 48 HIS N N 48 115.306 115.054 0.252 1
1 492 . 8 1 1 A 49 49 ASN H H 49 7.810 7.747 0.063 1
1 493 . 8 1 1 A 49 49 ASN HA H 49 3.878 4.208 -0.330 1
1 498 . 8 1 1 A 49 49 ASN CA C 49 53.876 54.396 -0.520 1
1 499 . 8 1 1 A 49 49 ASN CB C 49 36.030 36.817 -0.787 1
1 500 . 8 1 1 A 49 49 ASN N N 49 114.919 114.607 0.312 1
1 502 . 8 1 1 A 50 50 ILE H H 50 7.046 7.771 -0.725 1
1 503 . 8 1 1 A 50 50 ILE HA H 50 4.022 4.212 -0.190 1
1 513 . 8 1 1 A 50 50 ILE CA C 50 59.430 57.904 1.526 1
1 514 . 8 1 1 A 50 50 ILE CB C 50 41.326 38.079 3.247 1
1 518 . 8 1 1 A 50 50 ILE N N 50 120.995 120.121 0.874 1
1 519 . 8 1 1 A 51 51 PRO HA H 51 5.194 4.449 0.745 1
1 521 . 8 1 1 A 51 51 PRO CA C 51 60.560 62.187 -1.627 1
1 522 . 8 1 1 A 51 51 PRO CB C 51 31.841 32.512 -0.671 1
1 523 . 8 1 1 A 52 52 TRP H H 52 9.564 8.559 1.005 1
1 524 . 8 1 1 A 52 52 TRP HA H 52 4.805 5.298 -0.493 1
1 532 . 8 1 1 A 52 52 TRP CA C 52 56.550 55.952 0.598 1
1 533 . 8 1 1 A 52 52 TRP CB C 52 32.300 33.111 -0.811 1
1 539 . 8 1 1 A 52 52 TRP N N 52 123.070 120.658 2.412 1
1 541 . 8 1 1 A 53 53 LEU H H 53 7.227 9.018 -1.791 1
1 542 . 8 1 1 A 53 53 LEU HA H 53 4.863 5.170 -0.307 1
1 552 . 8 1 1 A 53 53 LEU CA C 53 53.790 53.666 0.124 1
1 553 . 8 1 1 A 53 53 LEU CB C 53 42.250 43.883 -1.633 1
1 557 . 8 1 1 A 53 53 LEU N N 53 124.700 125.406 -0.706 1
1 558 . 8 1 1 A 54 54 LEU H H 54 9.021 8.848 0.173 1
1 559 . 8 1 1 A 54 54 LEU HA H 54 4.618 4.562 0.056 1
1 569 . 8 1 1 A 54 54 LEU CA C 54 54.030 54.466 -0.436 1
1 570 . 8 1 1 A 54 54 LEU CB C 54 40.360 41.973 -1.613 1
1 574 . 8 1 1 A 54 54 LEU N N 54 126.893 128.408 -1.515 1
1 575 . 8 1 1 A 55 55 TYR H H 55 8.884 8.983 -0.099 1
1 576 . 8 1 1 A 55 55 TYR HA H 55 4.562 4.722 -0.160 1
1 583 . 8 1 1 A 55 55 TYR CA C 55 58.420 56.589 1.831 1
1 584 . 8 1 1 A 55 55 TYR CB C 55 36.180 38.153 -1.973 1
1 587 . 8 1 1 A 55 55 TYR N N 55 123.430 125.015 -1.585 1
1 588 . 8 1 1 A 56 56 LEU H H 56 8.192 8.814 -0.622 1
1 589 . 8 1 1 A 56 56 LEU HA H 56 4.530 4.931 -0.401 1
1 598 . 8 1 1 A 56 56 LEU CA C 56 51.720 51.728 -0.008 1
1 599 . 8 1 1 A 56 56 LEU CB C 56 43.260 43.654 -0.394 1
1 602 . 8 1 1 A 56 56 LEU N N 56 130.832 128.040 2.792 1
1 603 . 8 1 1 A 57 57 PRO HA H 57 3.779 3.498 0.281 1
1 610 . 8 1 1 A 57 57 PRO CA C 57 62.240 63.248 -1.008 1
1 611 . 8 1 1 A 57 57 PRO CB C 57 31.130 31.131 -0.001 1
1 614 . 8 1 1 A 58 58 GLY H H 58 8.908 8.585 0.323 1
1 615 . 8 1 1 A 58 58 GLY HA2 H 58 4.027 3.811 0.216 1
1 616 . 8 1 1 A 58 58 GLY HA3 H 58 3.433 3.835 -0.402 1
1 617 . 8 1 1 A 58 58 GLY CA C 58 44.860 45.435 -0.575 1
1 618 . 8 1 1 A 58 58 GLY N N 58 112.351 111.573 0.778 1
1 619 . 8 1 1 A 59 59 LYS H H 59 7.214 7.118 0.096 1
1 620 . 8 1 1 A 59 59 LYS HA H 59 4.386 4.683 -0.297 1
1 629 . 8 1 1 A 59 59 LYS CA C 59 53.760 55.153 -1.393 1
1 630 . 8 1 1 A 59 59 LYS CB C 59 34.590 35.060 -0.470 1
1 634 . 8 1 1 A 59 59 LYS N N 59 121.458 120.700 0.758 1
1 635 . 8 1 1 A 60 60 GLY H H 60 8.312 8.031 0.281 1
1 636 . 8 1 1 A 60 60 GLY HA2 H 60 3.379 3.423 -0.044 1
1 637 . 8 1 1 A 60 60 GLY HA3 H 60 3.229 3.511 -0.282 1
1 638 . 8 1 1 A 60 60 GLY CA C 60 45.350 44.126 1.224 1
1 639 . 8 1 1 A 60 60 GLY N N 60 103.990 113.833 -9.843 1
1 640 . 8 1 1 A 61 61 HIS H H 61 7.880 8.277 -0.397 1
1 641 . 8 1 1 A 61 61 HIS HA H 61 4.868 5.340 -0.472 1
1 645 . 8 1 1 A 61 61 HIS CA C 61 53.920 54.447 -0.527 1
1 646 . 8 1 1 A 61 61 HIS CB C 61 33.020 33.701 -0.681 1
1 648 . 8 1 1 A 61 61 HIS N N 61 121.221 119.827 1.394 1
1 649 . 8 1 1 A 62 62 CYS H H 62 8.760 8.706 0.054 1
1 650 . 8 1 1 A 62 62 CYS HA H 62 4.248 4.946 -0.698 1
1 653 . 8 1 1 A 62 62 CYS CA C 62 61.730 57.924 3.806 1
1 654 . 8 1 1 A 62 62 CYS CB C 62 26.560 27.334 -0.774 1
1 655 . 8 1 1 A 62 62 CYS N N 62 121.842 121.456 0.386 1
1 656 . 8 1 1 A 63 63 VAL H H 63 8.109 9.174 -1.065 1
1 657 . 8 1 1 A 63 63 VAL HA H 63 4.869 4.548 0.321 1
1 665 . 8 1 1 A 63 63 VAL CA C 63 62.210 62.638 -0.428 1
1 666 . 8 1 1 A 63 63 VAL CB C 63 34.780 32.290 2.490 1
1 669 . 8 1 1 A 63 63 VAL N N 63 127.029 127.409 -0.380 1
1 670 . 8 1 1 A 64 64 THR H H 64 8.453 9.160 -0.707 1
1 671 . 8 1 1 A 64 64 THR HA H 64 5.349 4.918 0.431 1
1 676 . 8 1 1 A 64 64 THR CA C 64 61.100 61.469 -0.369 1
1 677 . 8 1 1 A 64 64 THR CB C 64 70.790 70.021 0.769 1
1 679 . 8 1 1 A 64 64 THR N N 64 116.830 120.196 -3.366 1
1 680 . 8 1 1 A 65 65 GLY H H 65 8.663 8.459 0.204 1
1 681 . 8 1 1 A 65 65 GLY HA2 H 65 4.085 3.890 0.195 1
1 682 . 8 1 1 A 65 65 GLY HA3 H 65 3.480 4.273 -0.793 1
1 683 . 8 1 1 A 65 65 GLY CA C 65 46.570 46.082 0.488 1
1 684 . 8 1 1 A 65 65 GLY N N 65 107.680 109.340 -1.660 1
1 685 . 8 1 1 A 66 66 GLU H H 66 8.574 8.337 0.237 1
1 686 . 8 1 1 A 66 66 GLU HA H 66 5.150 5.387 -0.237 1
1 689 . 8 1 1 A 66 66 GLU CA C 66 54.450 54.437 0.013 1
1 690 . 8 1 1 A 66 66 GLU CB C 66 37.328 34.251 3.077 1
1 691 . 8 1 1 A 66 66 GLU N N 66 120.921 119.276 1.645 1
1 692 . 8 1 1 A 67 67 ILE H H 67 8.623 8.315 0.308 1
1 693 . 8 1 1 A 67 67 ILE HA H 67 5.149 5.011 0.138 1
1 703 . 8 1 1 A 67 67 ILE CA C 67 60.180 60.260 -0.080 1
1 704 . 8 1 1 A 67 67 ILE CB C 67 40.210 39.339 0.871 1
1 708 . 8 1 1 A 67 67 ILE N N 67 121.340 121.988 -0.648 1
1 709 . 8 1 1 A 68 68 TYR H H 68 9.196 9.311 -0.115 1
1 710 . 8 1 1 A 68 68 TYR HA H 68 5.001 5.321 -0.320 1
1 717 . 8 1 1 A 68 68 TYR CA C 68 56.270 56.365 -0.095 1
1 718 . 8 1 1 A 68 68 TYR CB C 68 41.480 40.778 0.702 1
1 721 . 8 1 1 A 68 68 TYR N N 68 123.650 125.961 -2.311 1
1 722 . 8 1 1 A 69 69 GLU H H 69 9.302 8.752 0.550 1
1 723 . 8 1 1 A 69 69 GLU HA H 69 5.066 4.682 0.384 1
1 728 . 8 1 1 A 69 69 GLU CA C 69 55.180 56.761 -1.581 1
1 729 . 8 1 1 A 69 69 GLU CB C 69 31.420 30.391 1.029 1
1 731 . 8 1 1 A 69 69 GLU N N 69 124.090 125.227 -1.137 1
1 732 . 8 1 1 A 70 70 VAL H H 70 8.908 8.836 0.072 1
1 733 . 8 1 1 A 70 70 VAL HA H 70 5.556 5.144 0.412 1
1 741 . 8 1 1 A 70 70 VAL CA C 70 57.780 59.041 -1.261 1
1 742 . 8 1 1 A 70 70 VAL CB C 70 35.400 35.341 0.059 1
1 745 . 8 1 1 A 70 70 VAL N N 70 119.540 120.561 -1.021 1
1 746 . 8 1 1 A 71 71 ASP H H 71 7.939 8.856 -0.917 1
1 747 . 8 1 1 A 71 71 ASP HA H 71 4.909 4.906 0.003 1
1 750 . 8 1 1 A 71 71 ASP CA C 71 51.240 53.486 -2.246 1
1 751 . 8 1 1 A 71 71 ASP CB C 71 42.210 41.800 0.410 1
1 752 . 8 1 1 A 71 71 ASP N N 71 120.720 121.994 -1.274 1
1 753 . 8 1 1 A 72 72 GLU H H 72 8.364 8.963 -0.599 1
1 754 . 8 1 1 A 72 72 GLU HA H 72 3.869 4.018 -0.149 1
1 757 . 8 1 1 A 72 72 GLU CA C 72 59.775 59.522 0.253 1
1 758 . 8 1 1 A 72 72 GLU CB C 72 29.140 29.361 -0.221 1
1 760 . 8 1 1 A 72 72 GLU N N 72 117.910 123.331 -5.421 1
1 761 . 8 1 1 A 73 73 GLN H H 73 7.960 8.000 -0.040 1
1 762 . 8 1 1 A 73 73 GLN HA H 73 3.899 4.100 -0.201 1
1 767 . 8 1 1 A 73 73 GLN CA C 73 59.570 58.492 1.078 1
1 768 . 8 1 1 A 73 73 GLN CB C 73 27.810 28.717 -0.907 1
1 770 . 8 1 1 A 73 73 GLN N N 73 119.617 120.339 -0.722 1
1 772 . 8 1 1 A 74 74 MET H H 74 8.489 8.130 0.359 1
1 773 . 8 1 1 A 74 74 MET HA H 74 4.766 4.410 0.356 1
1 780 . 8 1 1 A 74 74 MET CA C 74 56.790 58.315 -1.525 1
1 781 . 8 1 1 A 74 74 MET CB C 74 31.900 32.522 -0.622 1
1 784 . 8 1 1 A 74 74 MET N N 74 121.800 119.513 2.287 1
1 785 . 8 1 1 A 75 75 LEU H H 75 8.162 8.373 -0.211 1
1 786 . 8 1 1 A 75 75 LEU HA H 75 3.897 4.112 -0.215 1
1 796 . 8 1 1 A 75 75 LEU CA C 75 58.230 57.657 0.573 1
1 797 . 8 1 1 A 75 75 LEU CB C 75 42.160 40.932 1.228 1
1 801 . 8 1 1 A 75 75 LEU N N 75 120.230 121.509 -1.279 1
1 802 . 8 1 1 A 76 76 ARG H H 76 7.824 8.085 -0.261 1
1 803 . 8 1 1 A 76 76 ARG HA H 76 3.952 4.016 -0.064 1
1 811 . 8 1 1 A 76 76 ARG CA C 76 59.270 59.591 -0.321 1
1 812 . 8 1 1 A 76 76 ARG CB C 76 29.930 30.391 -0.461 1
1 815 . 8 1 1 A 76 76 ARG N N 76 116.540 119.786 -3.246 1
1 817 . 8 1 1 A 77 77 PHE H H 77 8.137 8.173 -0.036 1
1 818 . 8 1 1 A 77 77 PHE HA H 77 4.085 4.207 -0.122 1
1 825 . 8 1 1 A 77 77 PHE CA C 77 61.980 61.321 0.659 1
1 826 . 8 1 1 A 77 77 PHE CB C 77 38.530 39.234 -0.704 1
1 829 . 8 1 1 A 77 77 PHE N N 77 120.650 121.009 -0.359 1
1 830 . 8 1 1 A 78 78 LEU H H 78 9.071 8.753 0.318 1
1 831 . 8 1 1 A 78 78 LEU HA H 78 3.629 3.732 -0.103 1
1 841 . 8 1 1 A 78 78 LEU CA C 78 57.730 56.804 0.926 1
1 842 . 8 1 1 A 78 78 LEU CB C 78 41.420 41.321 0.099 1
1 846 . 8 1 1 A 78 78 LEU N N 78 122.360 118.856 3.504 1
1 847 . 8 1 1 A 79 79 ASP H H 79 8.506 7.979 0.527 1
1 848 . 8 1 1 A 79 79 ASP HA H 79 4.320 4.798 -0.478 1
1 851 . 8 1 1 A 79 79 ASP CA C 79 57.190 55.653 1.537 1
1 852 . 8 1 1 A 79 79 ASP CB C 79 39.420 40.630 -1.210 1
1 853 . 8 1 1 A 79 79 ASP N N 79 120.070 119.124 0.946 1
1 854 . 8 1 1 A 80 80 ASP H H 80 7.154 7.997 -0.843 1
1 855 . 8 1 1 A 80 80 ASP HA H 80 4.501 4.955 -0.454 1
1 858 . 8 1 1 A 80 80 ASP CA C 80 56.700 55.217 1.483 1
1 859 . 8 1 1 A 80 80 ASP CB C 80 40.660 43.533 -2.873 1
1 860 . 8 1 1 A 80 80 ASP N N 80 118.890 119.948 -1.058 1
1 861 . 8 1 1 A 81 81 PHE H H 81 8.791 7.980 0.811 1
1 862 . 8 1 1 A 81 81 PHE HA H 81 3.659 3.980 -0.321 1
1 867 . 8 1 1 A 81 81 PHE CA C 81 61.640 61.002 0.638 1
1 868 . 8 1 1 A 81 81 PHE CB C 81 40.210 38.727 1.483 1
1 870 . 8 1 1 A 81 81 PHE N N 81 125.745 120.461 5.284 1
1 871 . 8 1 1 A 82 82 GLU H H 82 8.209 7.715 0.494 1
1 872 . 8 1 1 A 82 82 GLU HA H 82 3.956 3.987 -0.031 1
1 875 . 8 1 1 A 82 82 GLU CA C 82 55.060 55.877 -0.817 1
1 876 . 8 1 1 A 82 82 GLU CB C 82 28.910 29.292 -0.382 1
1 878 . 8 1 1 A 82 82 GLU N N 82 115.707 117.515 -1.808 1
1 879 . 8 1 1 A 83 83 ASP H H 83 7.615 7.693 -0.078 1
1 880 . 8 1 1 A 83 83 ASP HA H 83 4.236 4.227 0.009 1
1 883 . 8 1 1 A 83 83 ASP CA C 83 54.370 55.333 -0.963 1
1 884 . 8 1 1 A 83 83 ASP CB C 83 39.400 39.498 -0.098 1
1 885 . 8 1 1 A 83 83 ASP N N 83 116.517 118.717 -2.200 1
1 886 . 8 1 1 A 84 84 CYS H H 84 8.361 7.814 0.547 1
1 887 . 8 1 1 A 84 84 CYS HA H 84 5.522 4.776 0.746 1
1 890 . 8 1 1 A 84 84 CYS CA C 84 56.617 57.889 -1.272 1
1 891 . 8 1 1 A 84 84 CYS CB C 84 27.651 27.552 0.099 1
1 892 . 8 1 1 A 84 84 CYS N N 84 119.420 118.365 1.055 1
1 893 . 8 1 1 A 85 85 PRO HA H 85 5.704 4.615 1.089 1
1 900 . 8 1 1 A 85 85 PRO CA C 85 64.355 64.060 0.295 1
1 901 . 8 1 1 A 85 85 PRO CB C 85 33.190 32.106 1.084 1
1 904 . 8 1 1 A 86 86 SER H H 86 8.389 7.969 0.420 1
1 905 . 8 1 1 A 86 86 SER HA H 86 4.175 4.227 -0.052 1
1 907 . 8 1 1 A 86 86 SER CA C 86 62.130 61.622 0.508 1
1 908 . 8 1 1 A 86 86 SER CB C 86 63.080 63.153 -0.073 1
1 909 . 8 1 1 A 86 86 SER N N 86 122.195 114.331 7.864 1
1 910 . 8 1 1 A 87 87 MET H H 87 8.576 8.482 0.094 1
1 911 . 8 1 1 A 87 87 MET HA H 87 4.475 4.288 0.187 1
1 918 . 8 1 1 A 87 87 MET CA C 87 57.520 58.589 -1.069 1
1 919 . 8 1 1 A 87 87 MET CB C 87 33.210 33.721 -0.511 1
1 922 . 8 1 1 A 87 87 MET N N 87 121.299 119.040 2.259 1
1 923 . 8 1 1 A 88 88 TYR H H 88 6.778 8.138 -1.360 1
1 924 . 8 1 1 A 88 88 TYR HA H 88 5.023 5.136 -0.113 1
1 931 . 8 1 1 A 88 88 TYR CA C 88 56.300 57.308 -1.008 1
1 932 . 8 1 1 A 88 88 TYR CB C 88 42.530 41.932 0.598 1
1 935 . 8 1 1 A 88 88 TYR N N 88 113.420 115.245 -1.825 1
1 936 . 8 1 1 A 89 89 GLN H H 89 9.567 9.204 0.363 1
1 937 . 8 1 1 A 89 89 GLN HA H 89 4.857 4.994 -0.137 1
1 944 . 8 1 1 A 89 89 GLN CA C 89 55.870 54.700 1.170 1
1 945 . 8 1 1 A 89 89 GLN CB C 89 30.430 32.428 -1.998 1
1 947 . 8 1 1 A 89 89 GLN N N 89 115.440 118.887 -3.447 1
1 949 . 8 1 1 A 90 90 ARG H H 90 8.772 8.511 0.261 1
1 950 . 8 1 1 A 90 90 ARG HA H 90 4.499 4.278 0.221 1
1 958 . 8 1 1 A 90 90 ARG CA C 90 56.620 55.970 0.650 1
1 959 . 8 1 1 A 90 90 ARG CB C 90 29.020 30.689 -1.669 1
1 962 . 8 1 1 A 90 90 ARG N N 90 123.860 123.842 0.018 1
1 964 . 8 1 1 A 91 91 THR H H 91 9.217 8.821 0.396 1
1 965 . 8 1 1 A 91 91 THR HA H 91 4.518 4.862 -0.344 1
1 970 . 8 1 1 A 91 91 THR CA C 91 60.570 60.748 -0.178 1
1 971 . 8 1 1 A 91 91 THR CB C 91 71.050 72.711 -1.661 1
1 973 . 8 1 1 A 91 91 THR N N 91 125.064 120.806 4.258 1
1 974 . 8 1 1 A 92 92 ALA H H 92 8.655 8.536 0.119 1
1 975 . 8 1 1 A 92 92 ALA HA H 92 5.041 5.353 -0.312 1
1 979 . 8 1 1 A 92 92 ALA CA C 92 51.320 50.652 0.668 1
1 980 . 8 1 1 A 92 92 ALA CB C 92 19.480 21.105 -1.625 1
1 981 . 8 1 1 A 92 92 ALA N N 92 126.963 125.821 1.142 1
1 982 . 8 1 1 A 93 93 LEU H H 93 9.005 8.698 0.307 1
1 983 . 8 1 1 A 93 93 LEU HA H 93 4.720 5.270 -0.550 1
1 993 . 8 1 1 A 93 93 LEU CA C 93 53.750 53.593 0.157 1
1 994 . 8 1 1 A 93 93 LEU CB C 93 45.340 45.670 -0.330 1
1 998 . 8 1 1 A 93 93 LEU N N 93 122.440 119.524 2.916 1
1 999 . 8 1 1 A 94 94 GLN H H 94 8.360 8.953 -0.593 1
1 1000 . 8 1 1 A 94 94 GLN HA H 94 4.229 5.096 -0.867 1
1 1005 . 8 1 1 A 94 94 GLN CA C 94 56.040 54.368 1.672 1
1 1006 . 8 1 1 A 94 94 GLN CB C 94 28.780 31.210 -2.430 1
1 1008 . 8 1 1 A 94 94 GLN N N 94 119.357 119.658 -0.301 1
1 1010 . 8 1 1 A 95 95 VAL H H 95 8.612 8.889 -0.277 1
1 1011 . 8 1 1 A 95 95 VAL HA H 95 4.013 4.493 -0.480 1
1 1019 . 8 1 1 A 95 95 VAL CA C 95 61.440 60.402 1.038 1
1 1020 . 8 1 1 A 95 95 VAL CB C 95 35.110 35.132 -0.022 1
1 1023 . 8 1 1 A 95 95 VAL N N 95 126.928 125.903 1.025 1
1 1024 . 8 1 1 A 96 96 GLN H H 96 9.222 8.796 0.426 1
1 1025 . 8 1 1 A 96 96 GLN HA H 96 4.279 4.580 -0.301 1
1 1032 . 8 1 1 A 96 96 GLN CA C 96 55.150 55.783 -0.633 1
1 1033 . 8 1 1 A 96 96 GLN CB C 96 29.100 29.017 0.083 1
1 1035 . 8 1 1 A 96 96 GLN N N 96 128.360 127.088 1.272 1
1 1037 . 8 1 1 A 97 97 VAL H H 97 8.233 8.093 0.140 1
1 1038 . 8 1 1 A 97 97 VAL HA H 97 3.674 4.117 -0.443 1
1 1046 . 8 1 1 A 97 97 VAL CA C 97 64.040 63.280 0.760 1
1 1047 . 8 1 1 A 97 97 VAL CB C 97 31.920 31.936 -0.016 1
1 1050 . 8 1 1 A 97 97 VAL N N 97 128.120 125.982 2.138 1
1 1051 . 8 1 1 A 98 98 LEU H H 98 8.880 9.454 -0.574 1
1 1052 . 8 1 1 A 98 98 LEU HA H 98 4.472 4.384 0.088 1
1 1059 . 8 1 1 A 98 98 LEU CA C 98 55.641 55.972 -0.331 1
1 1060 . 8 1 1 A 98 98 LEU CB C 98 42.510 42.674 -0.164 1
1 1063 . 8 1 1 A 98 98 LEU N N 98 128.877 131.003 -2.126 1
1 1064 . 8 1 1 A 99 99 GLU H H 99 7.682 7.351 0.331 1
1 1065 . 8 1 1 A 99 99 GLU HA H 99 4.403 4.772 -0.369 1
1 1070 . 8 1 1 A 99 99 GLU CA C 99 56.310 55.959 0.351 1
1 1071 . 8 1 1 A 99 99 GLU CB C 99 32.790 33.605 -0.815 1
1 1073 . 8 1 1 A 99 99 GLU N N 99 118.210 116.963 1.247 1
1 1074 . 8 1 1 A 100 100 TRP H H 100 8.883 8.836 0.047 1
1 1075 . 8 1 1 A 100 100 TRP HA H 100 5.205 5.286 -0.081 1
1 1084 . 8 1 1 A 100 100 TRP CA C 100 55.982 55.489 0.493 1
1 1085 . 8 1 1 A 100 100 TRP CB C 100 32.430 33.065 -0.635 1
1 1091 . 8 1 1 A 100 100 TRP N N 100 126.421 128.089 -1.668 1
1 1093 . 8 1 1 A 101 101 GLU H H 101 8.116 8.048 0.068 1
1 1094 . 8 1 1 A 101 101 GLU HA H 101 4.462 4.522 -0.060 1
1 1098 . 8 1 1 A 101 101 GLU CA C 101 55.050 55.347 -0.297 1
1 1099 . 8 1 1 A 101 101 GLU CB C 101 30.950 29.648 1.302 1
1 1101 . 8 1 1 A 101 101 GLU N N 101 128.535 125.908 2.627 1
1 1102 . 8 1 1 A 102 102 GLY H H 102 7.614 8.156 -0.542 1
1 1103 . 8 1 1 A 102 102 GLY HA2 H 102 3.853 4.060 -0.207 1
1 1104 . 8 1 1 A 102 102 GLY HA3 H 102 3.905 4.101 -0.196 1
1 1105 . 8 1 1 A 102 102 GLY CA C 102 44.440 43.987 0.453 1
1 1106 . 8 1 1 A 102 102 GLY N N 102 108.953 113.097 -4.144 1
1 1107 . 8 1 1 A 103 103 ASP H H 103 8.261 8.522 -0.261 1
1 1108 . 8 1 1 A 103 103 ASP HA H 103 4.641 4.838 -0.197 1
1 1111 . 8 1 1 A 103 103 ASP CA C 103 54.530 54.849 -0.319 1
1 1112 . 8 1 1 A 103 103 ASP CB C 103 41.690 41.376 0.314 1
1 1113 . 8 1 1 A 103 103 ASP N N 103 118.730 121.512 -2.782 1
1 1114 . 8 1 1 A 104 104 GLY H H 104 8.526 8.905 -0.379 1
1 1115 . 8 1 1 A 104 104 GLY HA2 H 104 3.719 3.934 -0.215 1
1 1116 . 8 1 1 A 104 104 GLY HA3 H 104 3.892 4.058 -0.166 1
1 1117 . 8 1 1 A 104 104 GLY CA C 104 45.960 46.698 -0.738 1
1 1118 . 8 1 1 A 104 104 GLY N N 104 109.230 113.644 -4.414 1
1 1119 . 8 1 1 A 105 105 ASP H H 105 7.806 7.945 -0.139 1
1 1120 . 8 1 1 A 105 105 ASP HA H 105 3.381 4.070 -0.689 1
1 1123 . 8 1 1 A 105 105 ASP CA C 105 51.020 50.244 0.776 1
1 1124 . 8 1 1 A 105 105 ASP CB C 105 41.406 40.717 0.689 1
1 1125 . 8 1 1 A 105 105 ASP N N 105 119.739 119.838 -0.099 1
1 1126 . 8 1 1 A 106 106 PRO HA H 106 4.065 4.142 -0.077 1
1 1133 . 8 1 1 A 106 106 PRO CA C 106 62.970 63.351 -0.381 1
1 1134 . 8 1 1 A 106 106 PRO CB C 106 31.660 31.564 0.096 1
1 1137 . 8 1 1 A 107 107 GLY H H 107 7.863 7.599 0.264 1
1 1138 . 8 1 1 A 107 107 GLY HA2 H 107 3.401 3.918 -0.517 1
1 1139 . 8 1 1 A 107 107 GLY HA3 H 107 4.103 3.925 0.178 1
1 1140 . 8 1 1 A 107 107 GLY CA C 107 44.170 44.404 -0.234 1
1 1141 . 8 1 1 A 107 107 GLY N N 107 109.610 110.270 -0.660 1
1 1142 . 8 1 1 A 108 108 ASP H H 108 8.171 8.610 -0.439 1
1 1143 . 8 1 1 A 108 108 ASP HA H 108 4.283 4.532 -0.249 1
1 1145 . 8 1 1 A 108 108 ASP CA C 108 56.430 54.597 1.833 1
1 1146 . 8 1 1 A 108 108 ASP CB C 108 41.490 41.062 0.428 1
1 1147 . 8 1 1 A 108 108 ASP N N 108 119.264 120.940 -1.676 1
1 1148 . 8 1 1 A 109 109 SER H H 109 7.560 7.824 -0.264 1
1 1149 . 8 1 1 A 109 109 SER HA H 109 5.188 5.057 0.131 1
1 1152 . 8 1 1 A 109 109 SER CA C 109 56.740 56.652 0.088 1
1 1153 . 8 1 1 A 109 109 SER CB C 109 65.780 65.844 -0.064 1
1 1154 . 8 1 1 A 109 109 SER N N 109 110.810 112.688 -1.878 1
1 1155 . 8 1 1 A 110 110 VAL H H 110 8.932 9.380 -0.448 1
1 1156 . 8 1 1 A 110 110 VAL HA H 110 4.262 4.834 -0.572 1
1 1164 . 8 1 1 A 110 110 VAL CA C 110 59.470 59.760 -0.290 1
1 1165 . 8 1 1 A 110 110 VAL CB C 110 35.400 34.368 1.032 1
1 1168 . 8 1 1 A 110 110 VAL N N 110 118.530 122.323 -3.793 1
1 1169 . 8 1 1 A 111 111 GLN H H 111 8.468 8.581 -0.113 1
1 1170 . 8 1 1 A 111 111 GLN HA H 111 4.422 4.821 -0.399 1
1 1177 . 8 1 1 A 111 111 GLN CA C 111 55.960 55.038 0.922 1
1 1178 . 8 1 1 A 111 111 GLN CB C 111 29.470 29.630 -0.160 1
1 1180 . 8 1 1 A 111 111 GLN N N 111 127.378 126.370 1.008 1
1 1182 . 8 1 1 A 112 112 CYS H H 112 8.785 8.451 0.334 1
1 1183 . 8 1 1 A 112 112 CYS HA H 112 4.782 4.978 -0.196 1
1 1186 . 8 1 1 A 112 112 CYS CA C 112 57.100 58.016 -0.916 1
1 1187 . 8 1 1 A 112 112 CYS CB C 112 33.700 30.698 3.002 1
1 1188 . 8 1 1 A 112 112 CYS N N 112 122.300 125.790 -3.490 1
1 1189 . 8 1 1 A 113 113 PHE H H 113 8.838 8.640 0.198 1
1 1190 . 8 1 1 A 113 113 PHE HA H 113 5.154 5.362 -0.208 1
1 1197 . 8 1 1 A 113 113 PHE CA C 113 58.650 57.327 1.323 1
1 1198 . 8 1 1 A 113 113 PHE CB C 113 40.210 41.388 -1.178 1
1 1201 . 8 1 1 A 113 113 PHE N N 113 118.974 120.588 -1.614 1
1 1202 . 8 1 1 A 114 114 VAL H H 114 9.079 8.854 0.225 1
1 1203 . 8 1 1 A 114 114 VAL HA H 114 4.472 5.010 -0.538 1
1 1211 . 8 1 1 A 114 114 VAL CA C 114 60.650 60.928 -0.278 1
1 1212 . 8 1 1 A 114 114 VAL CB C 114 35.970 36.038 -0.068 1
1 1215 . 8 1 1 A 114 114 VAL N N 114 121.660 121.047 0.613 1
1 1216 . 8 1 1 A 115 115 TYR H H 115 9.672 9.062 0.610 1
1 1217 . 8 1 1 A 115 115 TYR HA H 115 4.988 5.027 -0.039 1
1 1224 . 8 1 1 A 115 115 TYR CA C 115 59.240 57.095 2.145 1
1 1225 . 8 1 1 A 115 115 TYR CB C 115 36.925 39.184 -2.259 1
1 1228 . 8 1 1 A 115 115 TYR N N 115 127.830 125.084 2.746 1
1 1229 . 8 1 1 A 116 116 THR H H 116 9.061 9.119 -0.058 1
1 1230 . 8 1 1 A 116 116 THR HA H 116 5.435 5.290 0.145 1
1 1235 . 8 1 1 A 116 116 THR CA C 116 60.130 60.298 -0.168 1
1 1236 . 8 1 1 A 116 116 THR CB C 116 71.910 72.117 -0.207 1
1 1238 . 8 1 1 A 116 116 THR N N 116 119.130 114.616 4.514 1
1 1239 . 8 1 1 A 117 117 THR H H 117 8.707 8.491 0.216 1
1 1240 . 8 1 1 A 117 117 THR HA H 117 5.561 5.136 0.425 1
1 1245 . 8 1 1 A 117 117 THR CA C 117 60.160 60.374 -0.214 1
1 1246 . 8 1 1 A 117 117 THR CB C 117 70.170 71.261 -1.091 1
1 1248 . 8 1 1 A 117 117 THR N N 117 111.190 115.237 -4.047 1
1 1249 . 8 1 1 A 118 118 ALA H H 118 9.257 8.348 0.909 1
1 1250 . 8 1 1 A 118 118 ALA HA H 118 5.033 4.752 0.281 1
1 1254 . 8 1 1 A 118 118 ALA CA C 118 51.550 52.150 -0.600 1
1 1255 . 8 1 1 A 118 118 ALA CB C 118 20.050 20.196 -0.146 1
1 1256 . 8 1 1 A 118 118 ALA N N 118 132.010 127.914 4.096 1
1 1257 . 8 1 1 A 119 119 THR H H 119 8.628 7.562 1.066 1
1 1258 . 8 1 1 A 119 119 THR HA H 119 4.143 4.251 -0.108 1
1 1263 . 8 1 1 A 119 119 THR CA C 119 60.090 61.676 -1.586 1
1 1264 . 8 1 1 A 119 119 THR CB C 119 68.056 68.935 -0.879 1
1 1266 . 8 1 1 A 119 119 THR N N 119 114.350 111.847 2.503 1
1 1267 . 8 1 1 A 120 120 TYR H H 120 6.281 7.313 -1.032 1
1 1268 . 8 1 1 A 120 120 TYR HA H 120 3.594 4.132 -0.538 1
1 1273 . 8 1 1 A 120 120 TYR CA C 120 53.530 57.544 -4.014 1
1 1274 . 8 1 1 A 120 120 TYR CB C 120 40.072 39.546 0.526 1
1 1276 . 8 1 1 A 120 120 TYR N N 120 117.205 119.758 -2.553 1
1 1277 . 8 1 1 A 121 121 ALA HA H 121 5.030 4.238 0.792 1
1 1278 . 8 1 1 A 121 121 ALA CA C 121 51.536 50.474 1.062 1
1 1279 . 8 1 1 A 122 122 PRO HA H 122 4.059 4.285 -0.226 1
1 1285 . 8 1 1 A 122 122 PRO CA C 122 65.435 64.893 0.542 1
1 1286 . 8 1 1 A 122 122 PRO CB C 122 31.680 32.036 -0.356 1
1 1289 . 8 1 1 A 123 123 GLU H H 123 9.336 9.011 0.325 1
1 1290 . 8 1 1 A 123 123 GLU HA H 123 4.169 4.447 -0.278 1
1 1294 . 8 1 1 A 123 123 GLU CA C 123 59.100 59.225 -0.125 1
1 1295 . 8 1 1 A 123 123 GLU CB C 123 27.940 28.924 -0.984 1
1 1297 . 8 1 1 A 123 123 GLU N N 123 115.528 115.846 -0.318 1
1 1298 . 8 1 1 A 124 124 TRP H H 124 8.560 7.799 0.761 1
1 1299 . 8 1 1 A 124 124 TRP HA H 124 4.671 4.596 0.075 1
1 1308 . 8 1 1 A 124 124 TRP CA C 124 57.370 59.512 -2.142 1
1 1309 . 8 1 1 A 124 124 TRP CB C 124 28.310 28.564 -0.254 1
1 1315 . 8 1 1 A 124 124 TRP N N 124 123.431 120.152 3.279 1
1 1317 . 8 1 1 A 125 125 LEU H H 125 7.378 7.788 -0.410 1
1 1318 . 8 1 1 A 125 125 LEU HA H 125 4.065 3.990 0.075 1
1 1328 . 8 1 1 A 125 125 LEU CA C 125 56.060 57.220 -1.160 1
1 1329 . 8 1 1 A 125 125 LEU CB C 125 41.220 41.358 -0.138 1
1 1333 . 8 1 1 A 125 125 LEU N N 125 113.660 120.747 -7.087 1
1 1334 . 8 1 1 A 126 126 PHE H H 126 7.415 7.228 0.187 1
1 1335 . 8 1 1 A 126 126 PHE HA H 126 4.640 4.517 0.123 1
1 1342 . 8 1 1 A 126 126 PHE CA C 126 56.940 59.126 -2.186 1
1 1343 . 8 1 1 A 126 126 PHE CB C 126 38.670 39.276 -0.606 1
1 1346 . 8 1 1 A 126 126 PHE N N 126 116.360 115.392 0.968 1
1 1347 . 8 1 1 A 127 127 LEU H H 127 7.168 7.395 -0.227 1
1 1348 . 8 1 1 A 127 127 LEU HA H 127 4.529 4.415 0.114 1
1 1358 . 8 1 1 A 127 127 LEU CA C 127 53.580 53.784 -0.204 1
1 1359 . 8 1 1 A 127 127 LEU CB C 127 40.832 40.946 -0.114 1
1 1363 . 8 1 1 A 127 127 LEU N N 127 122.990 121.169 1.821 1
1 1364 . 8 1 1 A 128 128 PRO HA H 128 3.986 4.311 -0.325 1
1 1371 . 8 1 1 A 128 128 PRO CA C 128 63.140 62.328 0.812 1
1 1372 . 8 1 1 A 128 128 PRO CB C 128 31.993 32.349 -0.356 1
1 1375 . 8 1 1 A 129 129 TYR H H 129 8.070 8.237 -0.167 1
1 1376 . 8 1 1 A 129 129 TYR HA H 129 5.529 5.542 -0.013 1
1 1383 . 8 1 1 A 129 129 TYR CA C 129 52.486 56.876 -4.390 1
1 1384 . 8 1 1 A 129 129 TYR CB C 129 36.760 41.818 -5.058 1
1 1387 . 8 1 1 A 129 129 TYR N N 129 120.100 119.659 0.441 1
1 1388 . 8 1 1 A 130 130 HIS H H 130 9.193 8.621 0.572 1
1 1389 . 8 1 1 A 130 130 HIS HA H 130 4.733 5.166 -0.433 1
1 1393 . 8 1 1 A 130 130 HIS CA C 130 55.920 54.784 1.136 1
1 1394 . 8 1 1 A 130 130 HIS CB C 130 32.908 33.597 -0.689 1
1 1396 . 8 1 1 A 130 130 HIS N N 130 121.985 118.562 3.423 1
1 1397 . 8 1 1 A 131 131 GLU H H 131 9.093 9.221 -0.128 1
1 1398 . 8 1 1 A 131 131 GLU HA H 131 4.277 4.567 -0.290 1
1 1402 . 8 1 1 A 131 131 GLU CA C 131 58.110 57.812 0.298 1
1 1403 . 8 1 1 A 131 131 GLU CB C 131 30.700 30.503 0.197 1
1 1405 . 8 1 1 A 131 131 GLU N N 131 122.150 120.942 1.208 1
1 1406 . 8 1 1 A 132 132 SER H H 132 7.621 7.848 -0.227 1
1 1407 . 8 1 1 A 132 132 SER HA H 132 4.686 4.747 -0.061 1
1 1410 . 8 1 1 A 132 132 SER CA C 132 56.340 57.149 -0.809 1
1 1411 . 8 1 1 A 132 132 SER CB C 132 65.050 64.936 0.114 1
1 1412 . 8 1 1 A 132 132 SER N N 132 108.030 112.706 -4.676 1
1 1413 . 8 1 1 A 133 133 TYR H H 133 8.667 8.821 -0.154 1
1 1414 . 8 1 1 A 133 133 TYR HA H 133 4.564 5.107 -0.543 1
1 1419 . 8 1 1 A 133 133 TYR CA C 133 57.910 56.131 1.779 1
1 1420 . 8 1 1 A 133 133 TYR CB C 133 40.720 39.968 0.752 1
1 1422 . 8 1 1 A 133 133 TYR N N 133 121.977 125.642 -3.665 1
1 1423 . 8 1 1 A 134 134 ASP H H 134 7.303 8.513 -1.210 1
1 1424 . 8 1 1 A 134 134 ASP HA H 134 3.944 5.126 -1.182 1
1 1427 . 8 1 1 A 134 134 ASP CA C 134 52.540 52.734 -0.194 1
1 1428 . 8 1 1 A 134 134 ASP CB C 134 42.900 41.288 1.612 1
1 1429 . 8 1 1 A 134 134 ASP N N 134 127.820 125.664 2.156 1
1 1430 . 8 1 1 A 135 135 SER H H 135 9.392 8.934 0.458 1
1 1431 . 8 1 1 A 135 135 SER HA H 135 3.945 4.231 -0.286 1
1 1434 . 8 1 1 A 135 135 SER CA C 135 61.770 59.230 2.540 1
1 1435 . 8 1 1 A 135 135 SER CB C 135 63.561 62.658 0.903 1
1 1436 . 8 1 1 A 135 135 SER N N 135 127.670 120.217 7.453 1
1 1437 . 8 1 1 A 136 136 GLU H H 136 7.546 7.843 -0.297 1
1 1438 . 8 1 1 A 136 136 GLU HA H 136 4.233 4.627 -0.394 1
1 1443 . 8 1 1 A 136 136 GLU CA C 136 54.796 56.313 -1.517 1
1 1444 . 8 1 1 A 136 136 GLU CB C 136 28.420 31.247 -2.827 1
1 1446 . 8 1 1 A 136 136 GLU N N 136 113.107 119.737 -6.630 1
1 1447 . 8 1 1 A 137 137 GLY H H 137 7.241 7.931 -0.690 1
1 1448 . 8 1 1 A 137 137 GLY HA2 H 137 3.994 4.055 -0.061 1
1 1449 . 8 1 1 A 137 137 GLY HA3 H 137 3.503 4.071 -0.568 1
1 1450 . 8 1 1 A 137 137 GLY CA C 137 44.880 43.793 1.087 1
1 1451 . 8 1 1 A 137 137 GLY N N 137 104.690 108.718 -4.028 1
1 1452 . 8 1 1 A 138 138 PRO HA H 138 4.211 4.399 -0.188 1
1 1459 . 8 1 1 A 138 138 PRO CA C 138 64.830 63.717 1.113 1
1 1460 . 8 1 1 A 138 138 PRO CB C 138 31.180 32.142 -0.962 1
1 1463 . 8 1 1 A 139 139 HIS H H 139 6.414 7.604 -1.190 1
1 1464 . 8 1 1 A 139 139 HIS HA H 139 4.299 4.488 -0.189 1
1 1467 . 8 1 1 A 139 139 HIS CA C 139 55.080 57.930 -2.850 1
1 1468 . 8 1 1 A 139 139 HIS CB C 139 30.260 30.165 0.095 1
1 1470 . 8 1 1 A 139 139 HIS N N 139 116.498 116.011 0.487 1
1 1471 . 8 1 1 A 140 140 GLY H H 140 7.082 8.134 -1.052 1
1 1472 . 8 1 1 A 140 140 GLY HA2 H 140 3.919 3.909 0.010 1
1 1473 . 8 1 1 A 140 140 GLY HA3 H 140 3.721 3.924 -0.203 1
1 1474 . 8 1 1 A 140 140 GLY CA C 140 46.590 45.349 1.241 1
1 1475 . 8 1 1 A 140 140 GLY N N 140 108.485 107.369 1.116 1
1 1476 . 8 1 1 A 141 141 LEU HA H 141 4.451 4.481 -0.030 1
1 1483 . 8 1 1 A 141 141 LEU CA C 141 53.024 53.986 -0.962 1
1 1484 . 8 1 1 A 141 141 LEU CB C 141 39.500 41.894 -2.394 1
1 1487 . 8 1 1 A 142 142 ARG H H 142 7.472 8.734 -1.262 1
1 1488 . 8 1 1 A 142 142 ARG HA H 142 4.724 4.896 -0.172 1
1 1493 . 8 1 1 A 142 142 ARG CA C 142 55.940 53.971 1.969 1
1 1494 . 8 1 1 A 142 142 ARG CB C 142 31.070 33.806 -2.736 1
1 1497 . 8 1 1 A 142 142 ARG N N 142 121.987 124.628 -2.641 1
1 1499 . 8 1 1 A 143 143 TYR H H 143 8.487 8.839 -0.352 1
1 1500 . 8 1 1 A 143 143 TYR HA H 143 4.474 4.861 -0.387 1
1 1507 . 8 1 1 A 143 143 TYR CA C 143 59.015 59.678 -0.663 1
1 1508 . 8 1 1 A 143 143 TYR CB C 143 38.720 39.252 -0.532 1
1 1511 . 8 1 1 A 143 143 TYR N N 143 127.896 123.047 4.849 1
1 1512 . 8 1 1 A 144 144 ASN H H 144 7.805 8.302 -0.497 1
1 1513 . 8 1 1 A 144 144 ASN HA H 144 4.892 5.301 -0.409 1
1 1518 . 8 1 1 A 144 144 ASN CA C 144 50.120 50.385 -0.265 1
1 1519 . 8 1 1 A 144 144 ASN CB C 144 39.360 39.405 -0.045 1
1 1520 . 8 1 1 A 144 144 ASN N N 144 125.629 126.384 -0.755 1
1 1522 . 8 1 1 A 145 145 PRO HA H 145 3.975 4.249 -0.274 1
1 1528 . 8 1 1 A 145 145 PRO CA C 145 63.140 64.472 -1.332 1
1 1529 . 8 1 1 A 145 145 PRO CB C 145 32.386 31.902 0.484 1
1 1532 . 8 1 1 A 146 146 ARG H H 146 8.055 7.877 0.178 1
1 1533 . 8 1 1 A 146 146 ARG HA H 146 3.918 4.612 -0.694 1
1 1541 . 8 1 1 A 146 146 ARG CA C 146 56.740 55.759 0.981 1
1 1542 . 8 1 1 A 146 146 ARG CB C 146 30.430 31.872 -1.442 1
1 1545 . 8 1 1 A 146 146 ARG N N 146 120.069 117.929 2.140 1
1 1547 . 8 1 1 A 147 147 GLU H H 147 8.440 8.011 0.429 1
1 1548 . 8 1 1 A 147 147 GLU HA H 147 4.167 4.139 0.028 1
1 1552 . 8 1 1 A 147 147 GLU CA C 147 56.710 58.734 -2.024 1
1 1553 . 8 1 1 A 147 147 GLU CB C 147 30.150 29.787 0.363 1
1 1555 . 8 1 1 A 147 147 GLU N N 147 120.760 118.968 1.792 1
1 1556 . 8 1 1 A 148 148 ASN H H 148 8.363 7.687 0.676 1
1 1557 . 8 1 1 A 148 148 ASN HA H 148 4.652 4.970 -0.318 1
1 1562 . 8 1 1 A 148 148 ASN CA C 148 53.240 51.503 1.737 1
1 1563 . 8 1 1 A 148 148 ASN CB C 148 38.840 38.175 0.665 1
1 1564 . 8 1 1 A 148 148 ASN N N 148 120.210 112.751 7.459 1
1 1 . 9 1 1 A 2 2 ALA HA H 2 4.182 3.389 0.793 1
1 5 . 9 1 1 A 2 2 ALA CA C 2 51.510 53.764 -2.254 1
1 6 . 9 1 1 A 2 2 ALA CB C 2 20.090 17.964 2.126 1
1 7 . 9 1 1 A 3 3 HIS H H 3 9.173 8.546 0.627 1
1 8 . 9 1 1 A 3 3 HIS HA H 3 5.839 4.465 1.374 1
1 12 . 9 1 1 A 3 3 HIS CA C 3 56.960 56.462 0.498 1
1 13 . 9 1 1 A 3 3 HIS CB C 3 32.820 28.605 4.215 1
1 15 . 9 1 1 A 3 3 HIS N N 3 118.801 113.875 4.926 1
1 16 . 9 1 1 A 4 4 ILE H H 4 9.494 8.221 1.273 1
1 17 . 9 1 1 A 4 4 ILE HA H 4 5.508 4.983 0.525 1
1 27 . 9 1 1 A 4 4 ILE CA C 4 58.300 59.503 -1.203 1
1 28 . 9 1 1 A 4 4 ILE CB C 4 41.930 39.639 2.291 1
1 32 . 9 1 1 A 4 4 ILE N N 4 118.202 121.449 -3.247 1
1 33 . 9 1 1 A 5 5 PHE H H 5 8.815 8.936 -0.121 1
1 34 . 9 1 1 A 5 5 PHE HA H 5 5.789 5.399 0.390 1
1 42 . 9 1 1 A 5 5 PHE CA C 5 55.153 56.190 -1.037 1
1 43 . 9 1 1 A 5 5 PHE CB C 5 40.740 42.874 -2.134 1
1 47 . 9 1 1 A 5 5 PHE N N 5 126.107 123.278 2.829 1
1 48 . 9 1 1 A 6 6 VAL H H 6 9.078 8.078 1.000 1
1 49 . 9 1 1 A 6 6 VAL HA H 6 4.357 4.399 -0.042 1
1 57 . 9 1 1 A 6 6 VAL CA C 6 59.157 59.531 -0.374 1
1 58 . 9 1 1 A 6 6 VAL CB C 6 33.473 33.538 -0.065 1
1 61 . 9 1 1 A 6 6 VAL N N 6 118.658 127.140 -8.482 1
1 62 . 9 1 1 A 7 7 TYR H H 7 6.878 7.955 -1.077 1
1 63 . 9 1 1 A 7 7 TYR HA H 7 4.170 4.175 -0.005 1
1 66 . 9 1 1 A 7 7 TYR CB C 7 36.608 37.480 -0.872 1
1 67 . 9 1 1 A 7 7 TYR N N 7 116.860 129.864 -13.004 1
1 68 . 9 1 1 A 8 8 GLY HA2 H 8 4.195 4.242 -0.047 1
1 69 . 9 1 1 A 8 8 GLY HA3 H 8 2.933 4.407 -1.474 1
1 70 . 9 1 1 A 8 8 GLY CA C 8 46.169 45.510 0.659 1
1 71 . 9 1 1 A 9 9 THR H H 9 7.618 7.776 -0.158 1
1 72 . 9 1 1 A 9 9 THR HA H 9 3.831 4.207 -0.376 1
1 77 . 9 1 1 A 9 9 THR CA C 9 64.570 63.806 0.764 1
1 78 . 9 1 1 A 9 9 THR CB C 9 68.494 69.486 -0.992 1
1 80 . 9 1 1 A 9 9 THR N N 9 115.934 111.996 3.938 1
1 81 . 9 1 1 A 10 10 LEU H H 10 7.561 7.418 0.143 1
1 82 . 9 1 1 A 10 10 LEU HA H 10 3.673 4.389 -0.716 1
1 92 . 9 1 1 A 10 10 LEU CA C 10 55.950 53.139 2.811 1
1 93 . 9 1 1 A 10 10 LEU CB C 10 41.610 41.962 -0.352 1
1 97 . 9 1 1 A 10 10 LEU N N 10 120.151 120.025 0.126 1
1 98 . 9 1 1 A 11 11 LYS H H 11 6.738 8.055 -1.317 1
1 99 . 9 1 1 A 11 11 LYS HA H 11 4.007 4.587 -0.580 1
1 103 . 9 1 1 A 11 11 LYS CA C 11 57.390 57.712 -0.322 1
1 104 . 9 1 1 A 11 11 LYS CB C 11 34.322 34.364 -0.042 1
1 106 . 9 1 1 A 11 11 LYS N N 11 116.295 120.965 -4.670 1
1 107 . 9 1 1 A 12 12 ARG H H 12 9.432 8.736 0.696 1
1 108 . 9 1 1 A 12 12 ARG HA H 12 2.029 4.288 -2.259 1
1 115 . 9 1 1 A 12 12 ARG CA C 12 58.420 58.555 -0.135 1
1 116 . 9 1 1 A 12 12 ARG CB C 12 29.190 30.364 -1.174 1
1 119 . 9 1 1 A 12 12 ARG N N 12 120.863 120.290 0.573 1
1 120 . 9 1 1 A 13 13 GLY H H 13 8.048 7.678 0.370 1
1 121 . 9 1 1 A 13 13 GLY HA2 H 13 3.990 4.107 -0.117 1
1 122 . 9 1 1 A 13 13 GLY HA3 H 13 3.538 4.127 -0.589 1
1 123 . 9 1 1 A 13 13 GLY CA C 13 45.490 45.725 -0.235 1
1 124 . 9 1 1 A 13 13 GLY N N 13 111.120 105.376 5.744 1
1 125 . 9 1 1 A 14 14 GLN H H 14 7.904 7.571 0.333 1
1 126 . 9 1 1 A 14 14 GLN HA H 14 4.682 4.578 0.104 1
1 133 . 9 1 1 A 14 14 GLN CA C 14 53.440 54.526 -1.086 1
1 134 . 9 1 1 A 14 14 GLN CB C 14 27.115 28.250 -1.135 1
1 136 . 9 1 1 A 14 14 GLN N N 14 117.811 120.213 -2.402 1
1 138 . 9 1 1 A 15 15 PRO HA H 15 4.342 4.469 -0.127 1
1 145 . 9 1 1 A 15 15 PRO CA C 15 66.870 64.577 2.293 1
1 146 . 9 1 1 A 15 15 PRO CB C 15 34.060 31.952 2.108 1
1 149 . 9 1 1 A 16 16 ASN H H 16 8.287 8.627 -0.340 1
1 150 . 9 1 1 A 16 16 ASN HA H 16 5.356 4.752 0.604 1
1 155 . 9 1 1 A 16 16 ASN CA C 16 52.230 55.026 -2.796 1
1 156 . 9 1 1 A 16 16 ASN CB C 16 39.030 38.460 0.570 1
1 157 . 9 1 1 A 16 16 ASN N N 16 110.638 116.094 -5.456 1
1 159 . 9 1 1 A 17 17 HIS H H 17 7.819 7.730 0.089 1
1 160 . 9 1 1 A 17 17 HIS HA H 17 3.815 4.017 -0.202 1
1 164 . 9 1 1 A 17 17 HIS CA C 17 60.140 60.251 -0.111 1
1 165 . 9 1 1 A 17 17 HIS CB C 17 27.680 30.090 -2.410 1
1 167 . 9 1 1 A 17 17 HIS N N 17 121.058 120.581 0.477 1
1 168 . 9 1 1 A 18 18 LYS H H 18 8.326 8.269 0.057 1
1 169 . 9 1 1 A 18 18 LYS HA H 18 3.695 4.004 -0.309 1
1 175 . 9 1 1 A 18 18 LYS CA C 18 58.890 58.730 0.160 1
1 176 . 9 1 1 A 18 18 LYS CB C 18 31.070 31.851 -0.781 1
1 180 . 9 1 1 A 18 18 LYS N N 18 112.812 117.289 -4.477 1
1 181 . 9 1 1 A 19 19 VAL H H 19 7.373 7.766 -0.393 1
1 182 . 9 1 1 A 19 19 VAL HA H 19 3.816 4.032 -0.216 1
1 190 . 9 1 1 A 19 19 VAL CA C 19 64.960 64.888 0.072 1
1 191 . 9 1 1 A 19 19 VAL CB C 19 30.960 31.233 -0.273 1
1 194 . 9 1 1 A 19 19 VAL N N 19 117.691 115.797 1.894 1
1 195 . 9 1 1 A 20 20 MET H H 20 7.329 8.055 -0.726 1
1 196 . 9 1 1 A 20 20 MET HA H 20 3.951 4.392 -0.441 1
1 204 . 9 1 1 A 20 20 MET CA C 20 55.560 56.786 -1.226 1
1 205 . 9 1 1 A 20 20 MET CB C 20 31.460 32.548 -1.088 1
1 208 . 9 1 1 A 20 20 MET N N 20 114.870 119.953 -5.083 1
1 209 . 9 1 1 A 21 21 LEU H H 21 6.718 7.602 -0.884 1
1 210 . 9 1 1 A 21 21 LEU HA H 21 4.091 4.301 -0.210 1
1 220 . 9 1 1 A 21 21 LEU CA C 21 54.140 56.340 -2.200 1
1 221 . 9 1 1 A 21 21 LEU CB C 21 42.310 42.756 -0.446 1
1 225 . 9 1 1 A 21 21 LEU N N 21 116.021 117.444 -1.423 1
1 226 . 9 1 1 A 22 22 ASP H H 22 6.399 7.431 -1.032 1
1 227 . 9 1 1 A 22 22 ASP HA H 22 4.288 4.799 -0.511 1
1 229 . 9 1 1 A 22 22 ASP CA C 22 52.776 52.964 -0.188 1
1 230 . 9 1 1 A 22 22 ASP CB C 22 40.180 38.449 1.731 1
1 231 . 9 1 1 A 22 22 ASP N N 22 117.972 117.754 0.218 1
1 232 . 9 1 1 A 23 23 HIS H H 23 8.601 8.530 0.071 1
1 233 . 9 1 1 A 23 23 HIS HA H 23 4.848 4.290 0.558 1
1 237 . 9 1 1 A 23 23 HIS CA C 23 55.800 59.396 -3.596 1
1 238 . 9 1 1 A 23 23 HIS CB C 23 27.860 30.162 -2.302 1
1 240 . 9 1 1 A 23 23 HIS N N 23 123.395 124.832 -1.437 1
1 241 . 9 1 1 A 24 24 SER H H 24 8.526 8.190 0.336 1
1 242 . 9 1 1 A 24 24 SER HA H 24 4.105 3.884 0.221 1
1 244 . 9 1 1 A 24 24 SER CA C 24 60.870 60.945 -0.075 1
1 245 . 9 1 1 A 24 24 SER CB C 24 62.510 62.901 -0.391 1
1 246 . 9 1 1 A 24 24 SER N N 24 117.035 113.764 3.271 1
1 247 . 9 1 1 A 25 25 HIS H H 25 7.450 7.867 -0.417 1
1 248 . 9 1 1 A 25 25 HIS HA H 25 4.494 3.720 0.774 1
1 252 . 9 1 1 A 25 25 HIS CA C 25 53.900 57.850 -3.950 1
1 253 . 9 1 1 A 25 25 HIS CB C 25 28.320 28.990 -0.670 1
1 255 . 9 1 1 A 25 25 HIS N N 25 117.560 117.704 -0.144 1
1 256 . 9 1 1 A 26 26 GLY H H 26 6.926 7.033 -0.107 1
1 257 . 9 1 1 A 26 26 GLY HA2 H 26 3.587 3.744 -0.157 1
1 258 . 9 1 1 A 26 26 GLY HA3 H 26 4.362 3.897 0.465 1
1 259 . 9 1 1 A 26 26 GLY CA C 26 43.730 45.364 -1.634 1
1 260 . 9 1 1 A 26 26 GLY N N 26 103.120 103.240 -0.120 1
1 261 . 9 1 1 A 27 27 LEU H H 27 8.579 8.649 -0.070 1
1 262 . 9 1 1 A 27 27 LEU HA H 27 4.327 4.786 -0.459 1
1 271 . 9 1 1 A 27 27 LEU CA C 27 54.520 54.598 -0.078 1
1 272 . 9 1 1 A 27 27 LEU CB C 27 44.250 43.434 0.816 1
1 276 . 9 1 1 A 27 27 LEU N N 27 121.940 121.442 0.498 1
1 277 . 9 1 1 A 28 28 ALA H H 28 7.776 8.866 -1.090 1
1 278 . 9 1 1 A 28 28 ALA HA H 28 5.231 5.242 -0.011 1
1 282 . 9 1 1 A 28 28 ALA CA C 28 50.990 50.843 0.147 1
1 283 . 9 1 1 A 28 28 ALA CB C 28 22.580 24.272 -1.692 1
1 284 . 9 1 1 A 28 28 ALA N N 28 123.020 128.370 -5.350 1
1 285 . 9 1 1 A 29 29 ALA H H 29 9.231 8.555 0.676 1
1 286 . 9 1 1 A 29 29 ALA HA H 29 4.857 4.991 -0.134 1
1 290 . 9 1 1 A 29 29 ALA CA C 29 50.661 51.851 -1.190 1
1 291 . 9 1 1 A 29 29 ALA CB C 29 21.140 22.657 -1.517 1
1 292 . 9 1 1 A 29 29 ALA N N 29 125.760 119.857 5.903 1
1 293 . 9 1 1 A 30 30 PHE H H 30 9.083 9.108 -0.025 1
1 294 . 9 1 1 A 30 30 PHE HA H 30 3.397 4.339 -0.942 1
1 301 . 9 1 1 A 30 30 PHE CA C 30 59.895 57.623 2.272 1
1 302 . 9 1 1 A 30 30 PHE CB C 30 38.810 38.930 -0.120 1
1 305 . 9 1 1 A 30 30 PHE N N 30 126.590 122.437 4.153 1
1 306 . 9 1 1 A 31 31 ARG H H 31 8.102 8.281 -0.179 1
1 307 . 9 1 1 A 31 31 ARG HA H 31 3.941 4.181 -0.240 1
1 314 . 9 1 1 A 31 31 ARG CA C 31 53.120 54.205 -1.085 1
1 315 . 9 1 1 A 31 31 ARG CB C 31 31.665 30.298 1.367 1
1 318 . 9 1 1 A 31 31 ARG N N 31 125.007 127.675 -2.668 1
1 320 . 9 1 1 A 32 32 GLY H H 32 5.465 7.266 -1.801 1
1 321 . 9 1 1 A 32 32 GLY HA2 H 32 3.264 3.384 -0.120 1
1 322 . 9 1 1 A 32 32 GLY HA3 H 32 4.670 3.523 1.147 1
1 323 . 9 1 1 A 32 32 GLY CA C 32 45.150 43.986 1.164 1
1 324 . 9 1 1 A 32 32 GLY N N 32 101.400 113.973 -12.573 1
1 325 . 9 1 1 A 33 33 ARG H H 33 8.345 8.560 -0.215 1
1 326 . 9 1 1 A 33 33 ARG HA H 33 5.158 5.162 -0.004 1
1 332 . 9 1 1 A 33 33 ARG CA C 33 54.924 54.349 0.575 1
1 333 . 9 1 1 A 33 33 ARG CB C 33 34.180 34.310 -0.130 1
1 336 . 9 1 1 A 33 33 ARG N N 33 116.822 119.608 -2.786 1
1 338 . 9 1 1 A 34 34 GLY H H 34 8.549 8.615 -0.066 1
1 339 . 9 1 1 A 34 34 GLY HA2 H 34 5.154 4.387 0.767 1
1 340 . 9 1 1 A 34 34 GLY HA3 H 34 3.752 4.399 -0.647 1
1 341 . 9 1 1 A 34 34 GLY CA C 34 45.620 45.861 -0.241 1
1 342 . 9 1 1 A 34 34 GLY N N 34 107.400 108.152 -0.752 1
1 343 . 9 1 1 A 35 35 CYS H H 35 8.803 8.352 0.451 1
1 344 . 9 1 1 A 35 35 CYS HA H 35 5.893 5.486 0.407 1
1 347 . 9 1 1 A 35 35 CYS CA C 35 55.420 57.677 -2.257 1
1 348 . 9 1 1 A 35 35 CYS CB C 35 30.960 31.052 -0.092 1
1 349 . 9 1 1 A 35 35 CYS N N 35 117.781 117.522 0.259 1
1 350 . 9 1 1 A 36 36 THR H H 36 9.033 8.474 0.559 1
1 351 . 9 1 1 A 36 36 THR HA H 36 3.835 4.538 -0.703 1
1 356 . 9 1 1 A 36 36 THR CA C 36 64.160 61.123 3.037 1
1 357 . 9 1 1 A 36 36 THR CB C 36 68.200 69.228 -1.028 1
1 359 . 9 1 1 A 36 36 THR N N 36 117.973 114.967 3.006 1
1 360 . 9 1 1 A 37 37 VAL H H 37 7.545 8.586 -1.041 1
1 361 . 9 1 1 A 37 37 VAL HA H 37 3.709 3.915 -0.206 1
1 369 . 9 1 1 A 37 37 VAL CA C 37 65.740 65.118 0.622 1
1 370 . 9 1 1 A 37 37 VAL CB C 37 32.410 31.645 0.765 1
1 373 . 9 1 1 A 37 37 VAL N N 37 121.706 122.035 -0.329 1
1 374 . 9 1 1 A 38 38 GLU H H 38 8.540 7.645 0.895 1
1 375 . 9 1 1 A 38 38 GLU HA H 38 4.264 4.105 0.159 1
1 380 . 9 1 1 A 38 38 GLU CA C 38 54.260 56.468 -2.208 1
1 381 . 9 1 1 A 38 38 GLU CB C 38 30.770 29.812 0.958 1
1 383 . 9 1 1 A 38 38 GLU N N 38 119.219 123.564 -4.345 1
1 384 . 9 1 1 A 39 39 SER H H 39 8.692 8.184 0.508 1
1 385 . 9 1 1 A 39 39 SER HA H 39 4.035 4.494 -0.459 1
1 388 . 9 1 1 A 39 39 SER CA C 39 57.370 59.125 -1.755 1
1 389 . 9 1 1 A 39 39 SER CB C 39 63.760 63.927 -0.167 1
1 390 . 9 1 1 A 39 39 SER N N 39 118.941 120.527 -1.586 1
1 391 . 9 1 1 A 40 40 PHE H H 40 8.302 9.094 -0.792 1
1 392 . 9 1 1 A 40 40 PHE HA H 40 4.986 4.915 0.071 1
1 400 . 9 1 1 A 40 40 PHE CA C 40 57.320 55.555 1.765 1
1 401 . 9 1 1 A 40 40 PHE CB C 40 44.292 42.587 1.705 1
1 405 . 9 1 1 A 40 40 PHE N N 40 119.300 121.130 -1.830 1
1 406 . 9 1 1 A 41 41 PRO HA H 41 3.828 4.282 -0.454 1
1 413 . 9 1 1 A 41 41 PRO CA C 41 62.270 62.088 0.182 1
1 414 . 9 1 1 A 41 41 PRO CB C 41 30.790 31.091 -0.301 1
1 417 . 9 1 1 A 42 42 LEU H H 42 7.964 8.606 -0.642 1
1 418 . 9 1 1 A 42 42 LEU HA H 42 5.352 4.923 0.429 1
1 427 . 9 1 1 A 42 42 LEU CA C 42 53.830 53.772 0.058 1
1 428 . 9 1 1 A 42 42 LEU CB C 42 42.380 43.806 -1.426 1
1 431 . 9 1 1 A 42 42 LEU N N 42 129.948 123.362 6.586 1
1 432 . 9 1 1 A 43 43 VAL H H 43 8.607 8.527 0.080 1
1 433 . 9 1 1 A 43 43 VAL HA H 43 5.296 5.005 0.291 1
1 441 . 9 1 1 A 43 43 VAL CA C 43 58.040 60.046 -2.006 1
1 442 . 9 1 1 A 43 43 VAL CB C 43 35.220 34.946 0.274 1
1 445 . 9 1 1 A 43 43 VAL N N 43 117.190 121.394 -4.204 1
1 446 . 9 1 1 A 44 44 ILE H H 44 9.056 8.819 0.237 1
1 447 . 9 1 1 A 44 44 ILE HA H 44 4.426 4.410 0.016 1
1 457 . 9 1 1 A 44 44 ILE CA C 44 61.156 60.711 0.445 1
1 458 . 9 1 1 A 44 44 ILE CB C 44 38.544 36.995 1.549 1
1 462 . 9 1 1 A 44 44 ILE N N 44 122.963 127.286 -4.323 1
1 463 . 9 1 1 A 45 45 ALA H H 45 8.701 8.279 0.422 1
1 464 . 9 1 1 A 45 45 ALA HA H 45 4.626 4.428 0.198 1
1 468 . 9 1 1 A 45 45 ALA CA C 45 51.430 51.241 0.189 1
1 469 . 9 1 1 A 45 45 ALA CB C 45 21.670 19.700 1.970 1
1 470 . 9 1 1 A 45 45 ALA N N 45 126.347 130.305 -3.958 1
1 471 . 9 1 1 A 46 46 GLY H H 46 8.486 8.629 -0.143 1
1 472 . 9 1 1 A 46 46 GLY HA2 H 46 4.587 4.180 0.407 1
1 473 . 9 1 1 A 46 46 GLY HA3 H 46 4.084 4.221 -0.137 1
1 474 . 9 1 1 A 46 46 GLY CA C 46 44.500 44.828 -0.328 1
1 475 . 9 1 1 A 46 46 GLY N N 46 108.262 106.821 1.441 1
1 476 . 9 1 1 A 47 47 GLU H H 47 8.938 8.728 0.210 1
1 477 . 9 1 1 A 47 47 GLU HA H 47 4.003 4.233 -0.230 1
1 480 . 9 1 1 A 47 47 GLU CA C 47 58.820 58.163 0.657 1
1 481 . 9 1 1 A 47 47 GLU CB C 47 29.500 29.979 -0.479 1
1 482 . 9 1 1 A 47 47 GLU N N 47 118.010 121.049 -3.039 1
1 483 . 9 1 1 A 48 48 HIS H H 48 8.742 7.756 0.986 1
1 484 . 9 1 1 A 48 48 HIS HA H 48 4.704 4.622 0.082 1
1 488 . 9 1 1 A 48 48 HIS CA C 48 55.130 55.739 -0.609 1
1 489 . 9 1 1 A 48 48 HIS CB C 48 29.110 29.900 -0.790 1
1 491 . 9 1 1 A 48 48 HIS N N 48 115.306 114.719 0.587 1
1 492 . 9 1 1 A 49 49 ASN H H 49 7.810 8.095 -0.285 1
1 493 . 9 1 1 A 49 49 ASN HA H 49 3.878 4.160 -0.282 1
1 498 . 9 1 1 A 49 49 ASN CA C 49 53.876 54.126 -0.250 1
1 499 . 9 1 1 A 49 49 ASN CB C 49 36.030 36.916 -0.886 1
1 500 . 9 1 1 A 49 49 ASN N N 49 114.919 114.156 0.763 1
1 502 . 9 1 1 A 50 50 ILE H H 50 7.046 7.793 -0.747 1
1 503 . 9 1 1 A 50 50 ILE HA H 50 4.022 4.282 -0.260 1
1 513 . 9 1 1 A 50 50 ILE CA C 50 59.430 57.921 1.509 1
1 514 . 9 1 1 A 50 50 ILE CB C 50 41.326 38.179 3.147 1
1 518 . 9 1 1 A 50 50 ILE N N 50 120.995 119.631 1.364 1
1 519 . 9 1 1 A 51 51 PRO HA H 51 5.194 4.171 1.023 1
1 521 . 9 1 1 A 51 51 PRO CA C 51 60.560 62.762 -2.202 1
1 522 . 9 1 1 A 51 51 PRO CB C 51 31.841 31.669 0.172 1
1 523 . 9 1 1 A 52 52 TRP H H 52 9.564 8.020 1.544 1
1 524 . 9 1 1 A 52 52 TRP HA H 52 4.805 5.016 -0.211 1
1 532 . 9 1 1 A 52 52 TRP CA C 52 56.550 55.909 0.641 1
1 533 . 9 1 1 A 52 52 TRP CB C 52 32.300 31.167 1.133 1
1 539 . 9 1 1 A 52 52 TRP N N 52 123.070 124.432 -1.362 1
1 541 . 9 1 1 A 53 53 LEU H H 53 7.227 8.926 -1.699 1
1 542 . 9 1 1 A 53 53 LEU HA H 53 4.863 4.782 0.081 1
1 552 . 9 1 1 A 53 53 LEU CA C 53 53.790 54.017 -0.227 1
1 553 . 9 1 1 A 53 53 LEU CB C 53 42.250 43.907 -1.657 1
1 557 . 9 1 1 A 53 53 LEU N N 53 124.700 126.458 -1.758 1
1 558 . 9 1 1 A 54 54 LEU H H 54 9.021 8.518 0.503 1
1 559 . 9 1 1 A 54 54 LEU HA H 54 4.618 4.929 -0.311 1
1 569 . 9 1 1 A 54 54 LEU CA C 54 54.030 53.751 0.279 1
1 570 . 9 1 1 A 54 54 LEU CB C 54 40.360 43.626 -3.266 1
1 574 . 9 1 1 A 54 54 LEU N N 54 126.893 128.251 -1.358 1
1 575 . 9 1 1 A 55 55 TYR H H 55 8.884 9.026 -0.142 1
1 576 . 9 1 1 A 55 55 TYR HA H 55 4.562 4.616 -0.054 1
1 583 . 9 1 1 A 55 55 TYR CA C 55 58.420 56.750 1.670 1
1 584 . 9 1 1 A 55 55 TYR CB C 55 36.180 38.220 -2.040 1
1 587 . 9 1 1 A 55 55 TYR N N 55 123.430 125.572 -2.142 1
1 588 . 9 1 1 A 56 56 LEU H H 56 8.192 8.548 -0.356 1
1 589 . 9 1 1 A 56 56 LEU HA H 56 4.530 5.031 -0.501 1
1 598 . 9 1 1 A 56 56 LEU CA C 56 51.720 51.823 -0.103 1
1 599 . 9 1 1 A 56 56 LEU CB C 56 43.260 43.501 -0.241 1
1 602 . 9 1 1 A 56 56 LEU N N 56 130.832 128.973 1.859 1
1 603 . 9 1 1 A 57 57 PRO HA H 57 3.779 3.418 0.361 1
1 610 . 9 1 1 A 57 57 PRO CA C 57 62.240 63.275 -1.035 1
1 611 . 9 1 1 A 57 57 PRO CB C 57 31.130 31.192 -0.062 1
1 614 . 9 1 1 A 58 58 GLY H H 58 8.908 8.428 0.480 1
1 615 . 9 1 1 A 58 58 GLY HA2 H 58 4.027 3.733 0.294 1
1 616 . 9 1 1 A 58 58 GLY HA3 H 58 3.433 3.784 -0.351 1
1 617 . 9 1 1 A 58 58 GLY CA C 58 44.860 45.202 -0.342 1
1 618 . 9 1 1 A 58 58 GLY N N 58 112.351 112.031 0.320 1
1 619 . 9 1 1 A 59 59 LYS H H 59 7.214 7.191 0.023 1
1 620 . 9 1 1 A 59 59 LYS HA H 59 4.386 4.823 -0.437 1
1 629 . 9 1 1 A 59 59 LYS CA C 59 53.760 54.920 -1.160 1
1 630 . 9 1 1 A 59 59 LYS CB C 59 34.590 35.981 -1.391 1
1 634 . 9 1 1 A 59 59 LYS N N 59 121.458 121.251 0.207 1
1 635 . 9 1 1 A 60 60 GLY H H 60 8.312 8.253 0.059 1
1 636 . 9 1 1 A 60 60 GLY HA2 H 60 3.379 3.687 -0.308 1
1 637 . 9 1 1 A 60 60 GLY HA3 H 60 3.229 3.694 -0.465 1
1 638 . 9 1 1 A 60 60 GLY CA C 60 45.350 44.429 0.921 1
1 639 . 9 1 1 A 60 60 GLY N N 60 103.990 112.722 -8.732 1
1 640 . 9 1 1 A 61 61 HIS H H 61 7.880 7.864 0.016 1
1 641 . 9 1 1 A 61 61 HIS HA H 61 4.868 5.294 -0.426 1
1 645 . 9 1 1 A 61 61 HIS CA C 61 53.920 54.371 -0.451 1
1 646 . 9 1 1 A 61 61 HIS CB C 61 33.020 31.856 1.164 1
1 648 . 9 1 1 A 61 61 HIS N N 61 121.221 117.980 3.241 1
1 649 . 9 1 1 A 62 62 CYS H H 62 8.760 8.719 0.041 1
1 650 . 9 1 1 A 62 62 CYS HA H 62 4.248 4.848 -0.600 1
1 653 . 9 1 1 A 62 62 CYS CA C 62 61.730 58.008 3.722 1
1 654 . 9 1 1 A 62 62 CYS CB C 62 26.560 27.648 -1.088 1
1 655 . 9 1 1 A 62 62 CYS N N 62 121.842 119.080 2.762 1
1 656 . 9 1 1 A 63 63 VAL H H 63 8.109 8.809 -0.700 1
1 657 . 9 1 1 A 63 63 VAL HA H 63 4.869 4.596 0.273 1
1 665 . 9 1 1 A 63 63 VAL CA C 63 62.210 63.124 -0.914 1
1 666 . 9 1 1 A 63 63 VAL CB C 63 34.780 32.066 2.714 1
1 669 . 9 1 1 A 63 63 VAL N N 63 127.029 126.793 0.236 1
1 670 . 9 1 1 A 64 64 THR H H 64 8.453 8.268 0.185 1
1 671 . 9 1 1 A 64 64 THR HA H 64 5.349 4.627 0.722 1
1 676 . 9 1 1 A 64 64 THR CA C 64 61.100 61.920 -0.820 1
1 677 . 9 1 1 A 64 64 THR CB C 64 70.790 69.814 0.976 1
1 679 . 9 1 1 A 64 64 THR N N 64 116.830 121.303 -4.473 1
1 680 . 9 1 1 A 65 65 GLY H H 65 8.663 8.398 0.265 1
1 681 . 9 1 1 A 65 65 GLY HA2 H 65 4.085 3.887 0.198 1
1 682 . 9 1 1 A 65 65 GLY HA3 H 65 3.480 4.269 -0.789 1
1 683 . 9 1 1 A 65 65 GLY CA C 65 46.570 46.267 0.303 1
1 684 . 9 1 1 A 65 65 GLY N N 65 107.680 109.113 -1.433 1
1 685 . 9 1 1 A 66 66 GLU H H 66 8.574 8.348 0.226 1
1 686 . 9 1 1 A 66 66 GLU HA H 66 5.150 5.411 -0.261 1
1 689 . 9 1 1 A 66 66 GLU CA C 66 54.450 54.521 -0.071 1
1 690 . 9 1 1 A 66 66 GLU CB C 66 37.328 34.671 2.657 1
1 691 . 9 1 1 A 66 66 GLU N N 66 120.921 119.077 1.844 1
1 692 . 9 1 1 A 67 67 ILE H H 67 8.623 7.945 0.678 1
1 693 . 9 1 1 A 67 67 ILE HA H 67 5.149 4.843 0.306 1
1 703 . 9 1 1 A 67 67 ILE CA C 67 60.180 59.998 0.182 1
1 704 . 9 1 1 A 67 67 ILE CB C 67 40.210 39.566 0.644 1
1 708 . 9 1 1 A 67 67 ILE N N 67 121.340 121.118 0.222 1
1 709 . 9 1 1 A 68 68 TYR H H 68 9.196 9.233 -0.037 1
1 710 . 9 1 1 A 68 68 TYR HA H 68 5.001 5.146 -0.145 1
1 717 . 9 1 1 A 68 68 TYR CA C 68 56.270 56.278 -0.008 1
1 718 . 9 1 1 A 68 68 TYR CB C 68 41.480 40.349 1.131 1
1 721 . 9 1 1 A 68 68 TYR N N 68 123.650 125.870 -2.220 1
1 722 . 9 1 1 A 69 69 GLU H H 69 9.302 8.252 1.050 1
1 723 . 9 1 1 A 69 69 GLU HA H 69 5.066 4.034 1.032 1
1 728 . 9 1 1 A 69 69 GLU CA C 69 55.180 55.343 -0.163 1
1 729 . 9 1 1 A 69 69 GLU CB C 69 31.420 28.732 2.688 1
1 731 . 9 1 1 A 69 69 GLU N N 69 124.090 125.441 -1.351 1
1 732 . 9 1 1 A 70 70 VAL H H 70 8.908 8.032 0.876 1
1 733 . 9 1 1 A 70 70 VAL HA H 70 5.556 4.583 0.973 1
1 741 . 9 1 1 A 70 70 VAL CA C 70 57.780 61.072 -3.292 1
1 742 . 9 1 1 A 70 70 VAL CB C 70 35.400 33.055 2.345 1
1 745 . 9 1 1 A 70 70 VAL N N 70 119.540 122.082 -2.542 1
1 746 . 9 1 1 A 71 71 ASP H H 71 7.939 8.091 -0.152 1
1 747 . 9 1 1 A 71 71 ASP HA H 71 4.909 4.945 -0.036 1
1 750 . 9 1 1 A 71 71 ASP CA C 71 51.240 52.097 -0.857 1
1 751 . 9 1 1 A 71 71 ASP CB C 71 42.210 41.545 0.665 1
1 752 . 9 1 1 A 71 71 ASP N N 71 120.720 122.905 -2.185 1
1 753 . 9 1 1 A 72 72 GLU H H 72 8.364 8.647 -0.283 1
1 754 . 9 1 1 A 72 72 GLU HA H 72 3.869 4.034 -0.165 1
1 757 . 9 1 1 A 72 72 GLU CA C 72 59.775 59.862 -0.087 1
1 758 . 9 1 1 A 72 72 GLU CB C 72 29.140 29.598 -0.458 1
1 760 . 9 1 1 A 72 72 GLU N N 72 117.910 118.252 -0.342 1
1 761 . 9 1 1 A 73 73 GLN H H 73 7.960 8.137 -0.177 1
1 762 . 9 1 1 A 73 73 GLN HA H 73 3.899 4.109 -0.210 1
1 767 . 9 1 1 A 73 73 GLN CA C 73 59.570 58.864 0.706 1
1 768 . 9 1 1 A 73 73 GLN CB C 73 27.810 28.213 -0.403 1
1 770 . 9 1 1 A 73 73 GLN N N 73 119.617 119.742 -0.125 1
1 772 . 9 1 1 A 74 74 MET H H 74 8.489 8.381 0.108 1
1 773 . 9 1 1 A 74 74 MET HA H 74 4.766 4.317 0.449 1
1 780 . 9 1 1 A 74 74 MET CA C 74 56.790 58.491 -1.701 1
1 781 . 9 1 1 A 74 74 MET CB C 74 31.900 32.534 -0.634 1
1 784 . 9 1 1 A 74 74 MET N N 74 121.800 119.338 2.462 1
1 785 . 9 1 1 A 75 75 LEU H H 75 8.162 8.613 -0.451 1
1 786 . 9 1 1 A 75 75 LEU HA H 75 3.897 4.074 -0.177 1
1 796 . 9 1 1 A 75 75 LEU CA C 75 58.230 57.782 0.448 1
1 797 . 9 1 1 A 75 75 LEU CB C 75 42.160 41.109 1.051 1
1 801 . 9 1 1 A 75 75 LEU N N 75 120.230 121.405 -1.175 1
1 802 . 9 1 1 A 76 76 ARG H H 76 7.824 8.220 -0.396 1
1 803 . 9 1 1 A 76 76 ARG HA H 76 3.952 4.051 -0.099 1
1 811 . 9 1 1 A 76 76 ARG CA C 76 59.270 59.397 -0.127 1
1 812 . 9 1 1 A 76 76 ARG CB C 76 29.930 30.604 -0.674 1
1 815 . 9 1 1 A 76 76 ARG N N 76 116.540 119.980 -3.440 1
1 817 . 9 1 1 A 77 77 PHE H H 77 8.137 8.548 -0.411 1
1 818 . 9 1 1 A 77 77 PHE HA H 77 4.085 4.113 -0.028 1
1 825 . 9 1 1 A 77 77 PHE CA C 77 61.980 61.191 0.789 1
1 826 . 9 1 1 A 77 77 PHE CB C 77 38.530 39.073 -0.543 1
1 829 . 9 1 1 A 77 77 PHE N N 77 120.650 120.638 0.012 1
1 830 . 9 1 1 A 78 78 LEU H H 78 9.071 9.181 -0.110 1
1 831 . 9 1 1 A 78 78 LEU HA H 78 3.629 4.021 -0.392 1
1 841 . 9 1 1 A 78 78 LEU CA C 78 57.730 57.521 0.209 1
1 842 . 9 1 1 A 78 78 LEU CB C 78 41.420 41.307 0.113 1
1 846 . 9 1 1 A 78 78 LEU N N 78 122.360 119.391 2.969 1
1 847 . 9 1 1 A 79 79 ASP H H 79 8.506 8.361 0.145 1
1 848 . 9 1 1 A 79 79 ASP HA H 79 4.320 4.561 -0.241 1
1 851 . 9 1 1 A 79 79 ASP CA C 79 57.190 57.613 -0.423 1
1 852 . 9 1 1 A 79 79 ASP CB C 79 39.420 41.081 -1.661 1
1 853 . 9 1 1 A 79 79 ASP N N 79 120.070 119.961 0.109 1
1 854 . 9 1 1 A 80 80 ASP H H 80 7.154 7.804 -0.650 1
1 855 . 9 1 1 A 80 80 ASP HA H 80 4.501 4.319 0.182 1
1 858 . 9 1 1 A 80 80 ASP CA C 80 56.700 57.086 -0.386 1
1 859 . 9 1 1 A 80 80 ASP CB C 80 40.660 40.940 -0.280 1
1 860 . 9 1 1 A 80 80 ASP N N 80 118.890 119.563 -0.673 1
1 861 . 9 1 1 A 81 81 PHE H H 81 8.791 7.996 0.795 1
1 862 . 9 1 1 A 81 81 PHE HA H 81 3.659 3.852 -0.193 1
1 867 . 9 1 1 A 81 81 PHE CA C 81 61.640 60.393 1.247 1
1 868 . 9 1 1 A 81 81 PHE CB C 81 40.210 38.918 1.292 1
1 870 . 9 1 1 A 81 81 PHE N N 81 125.745 120.111 5.634 1
1 871 . 9 1 1 A 82 82 GLU H H 82 8.209 7.722 0.487 1
1 872 . 9 1 1 A 82 82 GLU HA H 82 3.956 4.055 -0.099 1
1 875 . 9 1 1 A 82 82 GLU CA C 82 55.060 55.714 -0.654 1
1 876 . 9 1 1 A 82 82 GLU CB C 82 28.910 28.931 -0.021 1
1 878 . 9 1 1 A 82 82 GLU N N 82 115.707 116.342 -0.635 1
1 879 . 9 1 1 A 83 83 ASP H H 83 7.615 7.811 -0.196 1
1 880 . 9 1 1 A 83 83 ASP HA H 83 4.236 4.133 0.103 1
1 883 . 9 1 1 A 83 83 ASP CA C 83 54.370 55.393 -1.023 1
1 884 . 9 1 1 A 83 83 ASP CB C 83 39.400 39.373 0.027 1
1 885 . 9 1 1 A 83 83 ASP N N 83 116.517 116.023 0.494 1
1 886 . 9 1 1 A 84 84 CYS H H 84 8.361 7.369 0.992 1
1 887 . 9 1 1 A 84 84 CYS HA H 84 5.522 4.728 0.794 1
1 890 . 9 1 1 A 84 84 CYS CA C 84 56.617 57.861 -1.244 1
1 891 . 9 1 1 A 84 84 CYS CB C 84 27.651 27.814 -0.163 1
1 892 . 9 1 1 A 84 84 CYS N N 84 119.420 116.016 3.404 1
1 893 . 9 1 1 A 85 85 PRO HA H 85 5.704 4.805 0.899 1
1 900 . 9 1 1 A 85 85 PRO CA C 85 64.355 64.152 0.203 1
1 901 . 9 1 1 A 85 85 PRO CB C 85 33.190 31.913 1.277 1
1 904 . 9 1 1 A 86 86 SER H H 86 8.389 8.321 0.068 1
1 905 . 9 1 1 A 86 86 SER HA H 86 4.175 4.160 0.015 1
1 907 . 9 1 1 A 86 86 SER CA C 86 62.130 61.679 0.451 1
1 908 . 9 1 1 A 86 86 SER CB C 86 63.080 62.836 0.244 1
1 909 . 9 1 1 A 86 86 SER N N 86 122.195 114.295 7.900 1
1 910 . 9 1 1 A 87 87 MET H H 87 8.576 8.609 -0.033 1
1 911 . 9 1 1 A 87 87 MET HA H 87 4.475 4.153 0.322 1
1 918 . 9 1 1 A 87 87 MET CA C 87 57.520 58.369 -0.849 1
1 919 . 9 1 1 A 87 87 MET CB C 87 33.210 32.969 0.241 1
1 922 . 9 1 1 A 87 87 MET N N 87 121.299 119.744 1.555 1
1 923 . 9 1 1 A 88 88 TYR H H 88 6.778 8.163 -1.385 1
1 924 . 9 1 1 A 88 88 TYR HA H 88 5.023 5.066 -0.043 1
1 931 . 9 1 1 A 88 88 TYR CA C 88 56.300 57.815 -1.515 1
1 932 . 9 1 1 A 88 88 TYR CB C 88 42.530 40.333 2.197 1
1 935 . 9 1 1 A 88 88 TYR N N 88 113.420 115.495 -2.075 1
1 936 . 9 1 1 A 89 89 GLN H H 89 9.567 9.155 0.412 1
1 937 . 9 1 1 A 89 89 GLN HA H 89 4.857 4.724 0.133 1
1 944 . 9 1 1 A 89 89 GLN CA C 89 55.870 55.325 0.545 1
1 945 . 9 1 1 A 89 89 GLN CB C 89 30.430 30.554 -0.124 1
1 947 . 9 1 1 A 89 89 GLN N N 89 115.440 119.623 -4.183 1
1 949 . 9 1 1 A 90 90 ARG H H 90 8.772 7.800 0.972 1
1 950 . 9 1 1 A 90 90 ARG HA H 90 4.499 4.025 0.474 1
1 958 . 9 1 1 A 90 90 ARG CA C 90 56.620 56.957 -0.337 1
1 959 . 9 1 1 A 90 90 ARG CB C 90 29.020 29.252 -0.232 1
1 962 . 9 1 1 A 90 90 ARG N N 90 123.860 119.963 3.897 1
1 964 . 9 1 1 A 91 91 THR H H 91 9.217 8.996 0.221 1
1 965 . 9 1 1 A 91 91 THR HA H 91 4.518 4.724 -0.206 1
1 970 . 9 1 1 A 91 91 THR CA C 91 60.570 61.133 -0.563 1
1 971 . 9 1 1 A 91 91 THR CB C 91 71.050 72.474 -1.424 1
1 973 . 9 1 1 A 91 91 THR N N 91 125.064 120.178 4.886 1
1 974 . 9 1 1 A 92 92 ALA H H 92 8.655 8.614 0.041 1
1 975 . 9 1 1 A 92 92 ALA HA H 92 5.041 5.461 -0.420 1
1 979 . 9 1 1 A 92 92 ALA CA C 92 51.320 51.365 -0.045 1
1 980 . 9 1 1 A 92 92 ALA CB C 92 19.480 20.210 -0.730 1
1 981 . 9 1 1 A 92 92 ALA N N 92 126.963 127.970 -1.007 1
1 982 . 9 1 1 A 93 93 LEU H H 93 9.005 8.996 0.009 1
1 983 . 9 1 1 A 93 93 LEU HA H 93 4.720 5.047 -0.327 1
1 993 . 9 1 1 A 93 93 LEU CA C 93 53.750 54.141 -0.391 1
1 994 . 9 1 1 A 93 93 LEU CB C 93 45.340 44.682 0.658 1
1 998 . 9 1 1 A 93 93 LEU N N 93 122.440 120.905 1.535 1
1 999 . 9 1 1 A 94 94 GLN H H 94 8.360 8.373 -0.013 1
1 1000 . 9 1 1 A 94 94 GLN HA H 94 4.229 4.927 -0.698 1
1 1005 . 9 1 1 A 94 94 GLN CA C 94 56.040 54.817 1.223 1
1 1006 . 9 1 1 A 94 94 GLN CB C 94 28.780 30.419 -1.639 1
1 1008 . 9 1 1 A 94 94 GLN N N 94 119.357 120.950 -1.593 1
1 1010 . 9 1 1 A 95 95 VAL H H 95 8.612 8.823 -0.211 1
1 1011 . 9 1 1 A 95 95 VAL HA H 95 4.013 4.411 -0.398 1
1 1019 . 9 1 1 A 95 95 VAL CA C 95 61.440 60.719 0.721 1
1 1020 . 9 1 1 A 95 95 VAL CB C 95 35.110 35.057 0.053 1
1 1023 . 9 1 1 A 95 95 VAL N N 95 126.928 125.842 1.086 1
1 1024 . 9 1 1 A 96 96 GLN H H 96 9.222 9.035 0.187 1
1 1025 . 9 1 1 A 96 96 GLN HA H 96 4.279 4.546 -0.267 1
1 1032 . 9 1 1 A 96 96 GLN CA C 96 55.150 55.971 -0.821 1
1 1033 . 9 1 1 A 96 96 GLN CB C 96 29.100 29.303 -0.203 1
1 1035 . 9 1 1 A 96 96 GLN N N 96 128.360 127.454 0.906 1
1 1037 . 9 1 1 A 97 97 VAL H H 97 8.233 8.132 0.101 1
1 1038 . 9 1 1 A 97 97 VAL HA H 97 3.674 4.416 -0.742 1
1 1046 . 9 1 1 A 97 97 VAL CA C 97 64.040 61.244 2.796 1
1 1047 . 9 1 1 A 97 97 VAL CB C 97 31.920 32.845 -0.925 1
1 1050 . 9 1 1 A 97 97 VAL N N 97 128.120 125.358 2.762 1
1 1051 . 9 1 1 A 98 98 LEU H H 98 8.880 9.490 -0.610 1
1 1052 . 9 1 1 A 98 98 LEU HA H 98 4.472 4.560 -0.088 1
1 1059 . 9 1 1 A 98 98 LEU CA C 98 55.641 55.435 0.206 1
1 1060 . 9 1 1 A 98 98 LEU CB C 98 42.510 43.750 -1.240 1
1 1063 . 9 1 1 A 98 98 LEU N N 98 128.877 130.836 -1.959 1
1 1064 . 9 1 1 A 99 99 GLU H H 99 7.682 7.668 0.014 1
1 1065 . 9 1 1 A 99 99 GLU HA H 99 4.403 4.656 -0.253 1
1 1070 . 9 1 1 A 99 99 GLU CA C 99 56.310 56.365 -0.055 1
1 1071 . 9 1 1 A 99 99 GLU CB C 99 32.790 33.541 -0.751 1
1 1073 . 9 1 1 A 99 99 GLU N N 99 118.210 117.890 0.320 1
1 1074 . 9 1 1 A 100 100 TRP H H 100 8.883 8.820 0.063 1
1 1075 . 9 1 1 A 100 100 TRP HA H 100 5.205 5.323 -0.118 1
1 1084 . 9 1 1 A 100 100 TRP CA C 100 55.982 55.400 0.582 1
1 1085 . 9 1 1 A 100 100 TRP CB C 100 32.430 33.069 -0.639 1
1 1091 . 9 1 1 A 100 100 TRP N N 100 126.421 128.263 -1.842 1
1 1093 . 9 1 1 A 101 101 GLU H H 101 8.116 7.990 0.126 1
1 1094 . 9 1 1 A 101 101 GLU HA H 101 4.462 4.515 -0.053 1
1 1098 . 9 1 1 A 101 101 GLU CA C 101 55.050 55.289 -0.239 1
1 1099 . 9 1 1 A 101 101 GLU CB C 101 30.950 30.550 0.400 1
1 1101 . 9 1 1 A 101 101 GLU N N 101 128.535 126.114 2.421 1
1 1102 . 9 1 1 A 102 102 GLY H H 102 7.614 8.412 -0.798 1
1 1103 . 9 1 1 A 102 102 GLY HA2 H 102 3.853 4.028 -0.175 1
1 1104 . 9 1 1 A 102 102 GLY HA3 H 102 3.905 4.062 -0.157 1
1 1105 . 9 1 1 A 102 102 GLY CA C 102 44.440 44.581 -0.141 1
1 1106 . 9 1 1 A 102 102 GLY N N 102 108.953 113.297 -4.344 1
1 1107 . 9 1 1 A 103 103 ASP H H 103 8.261 8.510 -0.249 1
1 1108 . 9 1 1 A 103 103 ASP HA H 103 4.641 4.476 0.165 1
1 1111 . 9 1 1 A 103 103 ASP CA C 103 54.530 55.766 -1.236 1
1 1112 . 9 1 1 A 103 103 ASP CB C 103 41.690 41.355 0.335 1
1 1113 . 9 1 1 A 103 103 ASP N N 103 118.730 121.673 -2.943 1
1 1114 . 9 1 1 A 104 104 GLY H H 104 8.526 8.853 -0.327 1
1 1115 . 9 1 1 A 104 104 GLY HA2 H 104 3.719 3.877 -0.158 1
1 1116 . 9 1 1 A 104 104 GLY HA3 H 104 3.892 4.000 -0.108 1
1 1117 . 9 1 1 A 104 104 GLY CA C 104 45.960 46.771 -0.811 1
1 1118 . 9 1 1 A 104 104 GLY N N 104 109.230 113.748 -4.518 1
1 1119 . 9 1 1 A 105 105 ASP H H 105 7.806 7.949 -0.143 1
1 1120 . 9 1 1 A 105 105 ASP HA H 105 3.381 3.958 -0.577 1
1 1123 . 9 1 1 A 105 105 ASP CA C 105 51.020 50.230 0.790 1
1 1124 . 9 1 1 A 105 105 ASP CB C 105 41.406 40.703 0.703 1
1 1125 . 9 1 1 A 105 105 ASP N N 105 119.739 120.109 -0.370 1
1 1126 . 9 1 1 A 106 106 PRO HA H 106 4.065 4.114 -0.049 1
1 1133 . 9 1 1 A 106 106 PRO CA C 106 62.970 63.323 -0.353 1
1 1134 . 9 1 1 A 106 106 PRO CB C 106 31.660 31.904 -0.244 1
1 1137 . 9 1 1 A 107 107 GLY H H 107 7.863 7.432 0.431 1
1 1138 . 9 1 1 A 107 107 GLY HA2 H 107 3.401 3.931 -0.530 1
1 1139 . 9 1 1 A 107 107 GLY HA3 H 107 4.103 3.936 0.167 1
1 1140 . 9 1 1 A 107 107 GLY CA C 107 44.170 44.199 -0.029 1
1 1141 . 9 1 1 A 107 107 GLY N N 107 109.610 110.093 -0.483 1
1 1142 . 9 1 1 A 108 108 ASP H H 108 8.171 8.584 -0.413 1
1 1143 . 9 1 1 A 108 108 ASP HA H 108 4.283 4.585 -0.302 1
1 1145 . 9 1 1 A 108 108 ASP CA C 108 56.430 54.618 1.812 1
1 1146 . 9 1 1 A 108 108 ASP CB C 108 41.490 41.050 0.440 1
1 1147 . 9 1 1 A 108 108 ASP N N 108 119.264 120.961 -1.697 1
1 1148 . 9 1 1 A 109 109 SER H H 109 7.560 7.831 -0.271 1
1 1149 . 9 1 1 A 109 109 SER HA H 109 5.188 4.972 0.216 1
1 1152 . 9 1 1 A 109 109 SER CA C 109 56.740 56.626 0.114 1
1 1153 . 9 1 1 A 109 109 SER CB C 109 65.780 65.944 -0.164 1
1 1154 . 9 1 1 A 109 109 SER N N 109 110.810 112.714 -1.904 1
1 1155 . 9 1 1 A 110 110 VAL H H 110 8.932 9.162 -0.230 1
1 1156 . 9 1 1 A 110 110 VAL HA H 110 4.262 4.817 -0.555 1
1 1164 . 9 1 1 A 110 110 VAL CA C 110 59.470 59.651 -0.181 1
1 1165 . 9 1 1 A 110 110 VAL CB C 110 35.400 34.624 0.776 1
1 1168 . 9 1 1 A 110 110 VAL N N 110 118.530 121.632 -3.102 1
1 1169 . 9 1 1 A 111 111 GLN H H 111 8.468 8.518 -0.050 1
1 1170 . 9 1 1 A 111 111 GLN HA H 111 4.422 4.812 -0.390 1
1 1177 . 9 1 1 A 111 111 GLN CA C 111 55.960 55.046 0.914 1
1 1178 . 9 1 1 A 111 111 GLN CB C 111 29.470 29.580 -0.110 1
1 1180 . 9 1 1 A 111 111 GLN N N 111 127.378 125.748 1.630 1
1 1182 . 9 1 1 A 112 112 CYS H H 112 8.785 8.706 0.079 1
1 1183 . 9 1 1 A 112 112 CYS HA H 112 4.782 4.916 -0.134 1
1 1186 . 9 1 1 A 112 112 CYS CA C 112 57.100 58.225 -1.125 1
1 1187 . 9 1 1 A 112 112 CYS CB C 112 33.700 30.332 3.368 1
1 1188 . 9 1 1 A 112 112 CYS N N 112 122.300 125.953 -3.653 1
1 1189 . 9 1 1 A 113 113 PHE H H 113 8.838 8.917 -0.079 1
1 1190 . 9 1 1 A 113 113 PHE HA H 113 5.154 5.319 -0.165 1
1 1197 . 9 1 1 A 113 113 PHE CA C 113 58.650 57.342 1.308 1
1 1198 . 9 1 1 A 113 113 PHE CB C 113 40.210 40.868 -0.658 1
1 1201 . 9 1 1 A 113 113 PHE N N 113 118.974 120.957 -1.983 1
1 1202 . 9 1 1 A 114 114 VAL H H 114 9.079 8.975 0.104 1
1 1203 . 9 1 1 A 114 114 VAL HA H 114 4.472 4.760 -0.288 1
1 1211 . 9 1 1 A 114 114 VAL CA C 114 60.650 61.008 -0.358 1
1 1212 . 9 1 1 A 114 114 VAL CB C 114 35.970 36.114 -0.144 1
1 1215 . 9 1 1 A 114 114 VAL N N 114 121.660 121.158 0.502 1
1 1216 . 9 1 1 A 115 115 TYR H H 115 9.672 8.855 0.817 1
1 1217 . 9 1 1 A 115 115 TYR HA H 115 4.988 4.769 0.219 1
1 1224 . 9 1 1 A 115 115 TYR CA C 115 59.240 57.808 1.432 1
1 1225 . 9 1 1 A 115 115 TYR CB C 115 36.925 37.425 -0.500 1
1 1228 . 9 1 1 A 115 115 TYR N N 115 127.830 126.443 1.387 1
1 1229 . 9 1 1 A 116 116 THR H H 116 9.061 8.583 0.478 1
1 1230 . 9 1 1 A 116 116 THR HA H 116 5.435 5.783 -0.348 1
1 1235 . 9 1 1 A 116 116 THR CA C 116 60.130 59.805 0.325 1
1 1236 . 9 1 1 A 116 116 THR CB C 116 71.910 71.701 0.209 1
1 1238 . 9 1 1 A 116 116 THR N N 116 119.130 115.082 4.048 1
1 1239 . 9 1 1 A 117 117 THR H H 117 8.707 8.350 0.357 1
1 1240 . 9 1 1 A 117 117 THR HA H 117 5.561 5.074 0.487 1
1 1245 . 9 1 1 A 117 117 THR CA C 117 60.160 60.676 -0.516 1
1 1246 . 9 1 1 A 117 117 THR CB C 117 70.170 71.672 -1.502 1
1 1248 . 9 1 1 A 117 117 THR N N 117 111.190 114.853 -3.663 1
1 1249 . 9 1 1 A 118 118 ALA H H 118 9.257 8.710 0.547 1
1 1250 . 9 1 1 A 118 118 ALA HA H 118 5.033 4.677 0.356 1
1 1254 . 9 1 1 A 118 118 ALA CA C 118 51.550 52.527 -0.977 1
1 1255 . 9 1 1 A 118 118 ALA CB C 118 20.050 19.748 0.302 1
1 1256 . 9 1 1 A 118 118 ALA N N 118 132.010 129.961 2.049 1
1 1257 . 9 1 1 A 119 119 THR H H 119 8.628 7.536 1.092 1
1 1258 . 9 1 1 A 119 119 THR HA H 119 4.143 4.418 -0.275 1
1 1263 . 9 1 1 A 119 119 THR CA C 119 60.090 60.233 -0.143 1
1 1264 . 9 1 1 A 119 119 THR CB C 119 68.056 68.459 -0.403 1
1 1266 . 9 1 1 A 119 119 THR N N 119 114.350 105.629 8.721 1
1 1267 . 9 1 1 A 120 120 TYR H H 120 6.281 7.143 -0.862 1
1 1268 . 9 1 1 A 120 120 TYR HA H 120 3.594 4.383 -0.789 1
1 1273 . 9 1 1 A 120 120 TYR CA C 120 53.530 56.719 -3.189 1
1 1274 . 9 1 1 A 120 120 TYR CB C 120 40.072 40.060 0.012 1
1 1276 . 9 1 1 A 120 120 TYR N N 120 117.205 120.363 -3.158 1
1 1277 . 9 1 1 A 121 121 ALA HA H 121 5.030 4.504 0.526 1
1 1278 . 9 1 1 A 121 121 ALA CA C 121 51.536 48.887 2.649 1
1 1279 . 9 1 1 A 122 122 PRO HA H 122 4.059 4.161 -0.102 1
1 1285 . 9 1 1 A 122 122 PRO CA C 122 65.435 64.743 0.692 1
1 1286 . 9 1 1 A 122 122 PRO CB C 122 31.680 31.802 -0.122 1
1 1289 . 9 1 1 A 123 123 GLU H H 123 9.336 8.903 0.433 1
1 1290 . 9 1 1 A 123 123 GLU HA H 123 4.169 3.823 0.346 1
1 1294 . 9 1 1 A 123 123 GLU CA C 123 59.100 57.638 1.462 1
1 1295 . 9 1 1 A 123 123 GLU CB C 123 27.940 28.316 -0.376 1
1 1297 . 9 1 1 A 123 123 GLU N N 123 115.528 115.522 0.006 1
1 1298 . 9 1 1 A 124 124 TRP H H 124 8.560 7.616 0.944 1
1 1299 . 9 1 1 A 124 124 TRP HA H 124 4.671 4.699 -0.028 1
1 1308 . 9 1 1 A 124 124 TRP CA C 124 57.370 58.530 -1.160 1
1 1309 . 9 1 1 A 124 124 TRP CB C 124 28.310 30.893 -2.583 1
1 1315 . 9 1 1 A 124 124 TRP N N 124 123.431 119.388 4.043 1
1 1317 . 9 1 1 A 125 125 LEU H H 125 7.378 8.011 -0.633 1
1 1318 . 9 1 1 A 125 125 LEU HA H 125 4.065 4.086 -0.021 1
1 1328 . 9 1 1 A 125 125 LEU CA C 125 56.060 57.656 -1.596 1
1 1329 . 9 1 1 A 125 125 LEU CB C 125 41.220 42.057 -0.837 1
1 1333 . 9 1 1 A 125 125 LEU N N 125 113.660 121.298 -7.638 1
1 1334 . 9 1 1 A 126 126 PHE H H 126 7.415 7.168 0.247 1
1 1335 . 9 1 1 A 126 126 PHE HA H 126 4.640 4.349 0.291 1
1 1342 . 9 1 1 A 126 126 PHE CA C 126 56.940 60.658 -3.718 1
1 1343 . 9 1 1 A 126 126 PHE CB C 126 38.670 38.813 -0.143 1
1 1346 . 9 1 1 A 126 126 PHE N N 126 116.360 116.637 -0.277 1
1 1347 . 9 1 1 A 127 127 LEU H H 127 7.168 7.669 -0.501 1
1 1348 . 9 1 1 A 127 127 LEU HA H 127 4.529 4.537 -0.008 1
1 1358 . 9 1 1 A 127 127 LEU CA C 127 53.580 53.862 -0.282 1
1 1359 . 9 1 1 A 127 127 LEU CB C 127 40.832 41.272 -0.440 1
1 1363 . 9 1 1 A 127 127 LEU N N 127 122.990 120.954 2.036 1
1 1364 . 9 1 1 A 128 128 PRO HA H 128 3.986 4.520 -0.534 1
1 1371 . 9 1 1 A 128 128 PRO CA C 128 63.140 62.474 0.666 1
1 1372 . 9 1 1 A 128 128 PRO CB C 128 31.993 32.372 -0.379 1
1 1375 . 9 1 1 A 129 129 TYR H H 129 8.070 8.350 -0.280 1
1 1376 . 9 1 1 A 129 129 TYR HA H 129 5.529 5.491 0.038 1
1 1383 . 9 1 1 A 129 129 TYR CA C 129 52.486 57.422 -4.936 1
1 1384 . 9 1 1 A 129 129 TYR CB C 129 36.760 41.633 -4.873 1
1 1387 . 9 1 1 A 129 129 TYR N N 129 120.100 119.914 0.186 1
1 1388 . 9 1 1 A 130 130 HIS H H 130 9.193 9.067 0.126 1
1 1389 . 9 1 1 A 130 130 HIS HA H 130 4.733 5.105 -0.372 1
1 1393 . 9 1 1 A 130 130 HIS CA C 130 55.920 54.268 1.652 1
1 1394 . 9 1 1 A 130 130 HIS CB C 130 32.908 31.643 1.265 1
1 1396 . 9 1 1 A 130 130 HIS N N 130 121.985 119.268 2.717 1
1 1397 . 9 1 1 A 131 131 GLU H H 131 9.093 8.799 0.294 1
1 1398 . 9 1 1 A 131 131 GLU HA H 131 4.277 3.269 1.008 1
1 1402 . 9 1 1 A 131 131 GLU CA C 131 58.110 58.525 -0.415 1
1 1403 . 9 1 1 A 131 131 GLU CB C 131 30.700 29.435 1.265 1
1 1405 . 9 1 1 A 131 131 GLU N N 131 122.150 126.582 -4.432 1
1 1406 . 9 1 1 A 132 132 SER H H 132 7.621 7.931 -0.310 1
1 1407 . 9 1 1 A 132 132 SER HA H 132 4.686 5.027 -0.341 1
1 1410 . 9 1 1 A 132 132 SER CA C 132 56.340 57.580 -1.240 1
1 1411 . 9 1 1 A 132 132 SER CB C 132 65.050 66.254 -1.204 1
1 1412 . 9 1 1 A 132 132 SER N N 132 108.030 111.599 -3.569 1
1 1413 . 9 1 1 A 133 133 TYR H H 133 8.667 8.723 -0.056 1
1 1414 . 9 1 1 A 133 133 TYR HA H 133 4.564 5.363 -0.799 1
1 1419 . 9 1 1 A 133 133 TYR CA C 133 57.910 56.760 1.150 1
1 1420 . 9 1 1 A 133 133 TYR CB C 133 40.720 42.344 -1.624 1
1 1422 . 9 1 1 A 133 133 TYR N N 133 121.977 121.514 0.463 1
1 1423 . 9 1 1 A 134 134 ASP H H 134 7.303 7.765 -0.462 1
1 1424 . 9 1 1 A 134 134 ASP HA H 134 3.944 4.926 -0.982 1
1 1427 . 9 1 1 A 134 134 ASP CA C 134 52.540 52.964 -0.424 1
1 1428 . 9 1 1 A 134 134 ASP CB C 134 42.900 44.276 -1.376 1
1 1429 . 9 1 1 A 134 134 ASP N N 134 127.820 122.651 5.169 1
1 1430 . 9 1 1 A 135 135 SER H H 135 9.392 8.762 0.630 1
1 1431 . 9 1 1 A 135 135 SER HA H 135 3.945 4.476 -0.531 1
1 1434 . 9 1 1 A 135 135 SER CA C 135 61.770 58.247 3.523 1
1 1435 . 9 1 1 A 135 135 SER CB C 135 63.561 64.462 -0.901 1
1 1436 . 9 1 1 A 135 135 SER N N 135 127.670 114.616 13.054 1
1 1437 . 9 1 1 A 136 136 GLU H H 136 7.546 7.709 -0.163 1
1 1438 . 9 1 1 A 136 136 GLU HA H 136 4.233 4.876 -0.643 1
1 1443 . 9 1 1 A 136 136 GLU CA C 136 54.796 55.179 -0.383 1
1 1444 . 9 1 1 A 136 136 GLU CB C 136 28.420 31.858 -3.438 1
1 1446 . 9 1 1 A 136 136 GLU N N 136 113.107 119.188 -6.081 1
1 1447 . 9 1 1 A 137 137 GLY H H 137 7.241 8.428 -1.187 1
1 1448 . 9 1 1 A 137 137 GLY HA2 H 137 3.994 4.155 -0.161 1
1 1449 . 9 1 1 A 137 137 GLY HA3 H 137 3.503 4.171 -0.668 1
1 1450 . 9 1 1 A 137 137 GLY CA C 137 44.880 44.934 -0.054 1
1 1451 . 9 1 1 A 137 137 GLY N N 137 104.690 111.820 -7.130 1
1 1452 . 9 1 1 A 138 138 PRO HA H 138 4.211 4.326 -0.115 1
1 1459 . 9 1 1 A 138 138 PRO CA C 138 64.830 64.312 0.518 1
1 1460 . 9 1 1 A 138 138 PRO CB C 138 31.180 31.848 -0.668 1
1 1463 . 9 1 1 A 139 139 HIS H H 139 6.414 7.843 -1.429 1
1 1464 . 9 1 1 A 139 139 HIS HA H 139 4.299 4.734 -0.435 1
1 1467 . 9 1 1 A 139 139 HIS CA C 139 55.080 54.881 0.199 1
1 1468 . 9 1 1 A 139 139 HIS CB C 139 30.260 28.042 2.218 1
1 1470 . 9 1 1 A 139 139 HIS N N 139 116.498 116.968 -0.470 1
1 1471 . 9 1 1 A 140 140 GLY H H 140 7.082 8.582 -1.500 1
1 1472 . 9 1 1 A 140 140 GLY HA2 H 140 3.919 3.760 0.159 1
1 1473 . 9 1 1 A 140 140 GLY HA3 H 140 3.721 3.765 -0.044 1
1 1474 . 9 1 1 A 140 140 GLY CA C 140 46.590 46.590 0.000 1
1 1475 . 9 1 1 A 140 140 GLY N N 140 108.485 110.953 -2.468 1
1 1476 . 9 1 1 A 141 141 LEU HA H 141 4.451 4.749 -0.298 1
1 1483 . 9 1 1 A 141 141 LEU CA C 141 53.024 52.998 0.026 1
1 1484 . 9 1 1 A 141 141 LEU CB C 141 39.500 42.320 -2.820 1
1 1487 . 9 1 1 A 142 142 ARG H H 142 7.472 8.912 -1.440 1
1 1488 . 9 1 1 A 142 142 ARG HA H 142 4.724 5.243 -0.519 1
1 1493 . 9 1 1 A 142 142 ARG CA C 142 55.940 54.069 1.871 1
1 1494 . 9 1 1 A 142 142 ARG CB C 142 31.070 33.321 -2.251 1
1 1497 . 9 1 1 A 142 142 ARG N N 142 121.987 125.539 -3.552 1
1 1499 . 9 1 1 A 143 143 TYR H H 143 8.487 9.010 -0.523 1
1 1500 . 9 1 1 A 143 143 TYR HA H 143 4.474 4.681 -0.207 1
1 1507 . 9 1 1 A 143 143 TYR CA C 143 59.015 59.599 -0.584 1
1 1508 . 9 1 1 A 143 143 TYR CB C 143 38.720 39.222 -0.502 1
1 1511 . 9 1 1 A 143 143 TYR N N 143 127.896 123.740 4.156 1
1 1512 . 9 1 1 A 144 144 ASN H H 144 7.805 8.454 -0.649 1
1 1513 . 9 1 1 A 144 144 ASN HA H 144 4.892 5.304 -0.412 1
1 1518 . 9 1 1 A 144 144 ASN CA C 144 50.120 50.582 -0.462 1
1 1519 . 9 1 1 A 144 144 ASN CB C 144 39.360 38.748 0.612 1
1 1520 . 9 1 1 A 144 144 ASN N N 144 125.629 126.656 -1.027 1
1 1522 . 9 1 1 A 145 145 PRO HA H 145 3.975 4.099 -0.124 1
1 1528 . 9 1 1 A 145 145 PRO CA C 145 63.140 64.640 -1.500 1
1 1529 . 9 1 1 A 145 145 PRO CB C 145 32.386 31.760 0.626 1
1 1532 . 9 1 1 A 146 146 ARG H H 146 8.055 7.852 0.203 1
1 1533 . 9 1 1 A 146 146 ARG HA H 146 3.918 4.565 -0.647 1
1 1541 . 9 1 1 A 146 146 ARG CA C 146 56.740 55.147 1.593 1
1 1542 . 9 1 1 A 146 146 ARG CB C 146 30.430 31.569 -1.139 1
1 1545 . 9 1 1 A 146 146 ARG N N 146 120.069 116.595 3.474 1
1 1547 . 9 1 1 A 147 147 GLU H H 147 8.440 8.098 0.342 1
1 1548 . 9 1 1 A 147 147 GLU HA H 147 4.167 4.114 0.053 1
1 1552 . 9 1 1 A 147 147 GLU CA C 147 56.710 58.774 -2.064 1
1 1553 . 9 1 1 A 147 147 GLU CB C 147 30.150 29.308 0.842 1
1 1555 . 9 1 1 A 147 147 GLU N N 147 120.760 121.282 -0.522 1
1 1556 . 9 1 1 A 148 148 ASN H H 148 8.363 7.916 0.447 1
1 1557 . 9 1 1 A 148 148 ASN HA H 148 4.652 4.663 -0.011 1
1 1562 . 9 1 1 A 148 148 ASN CA C 148 53.240 52.088 1.152 1
1 1563 . 9 1 1 A 148 148 ASN CB C 148 38.840 37.535 1.305 1
1 1564 . 9 1 1 A 148 148 ASN N N 148 120.210 113.329 6.881 1
1 1 . 10 1 1 A 2 2 ALA HA H 2 4.182 5.160 -0.978 1
1 5 . 10 1 1 A 2 2 ALA CA C 2 51.510 50.505 1.005 1
1 6 . 10 1 1 A 2 2 ALA CB C 2 20.090 21.554 -1.464 1
1 7 . 10 1 1 A 3 3 HIS H H 3 9.173 8.889 0.284 1
1 8 . 10 1 1 A 3 3 HIS HA H 3 5.839 5.048 0.791 1
1 12 . 10 1 1 A 3 3 HIS CA C 3 56.960 56.180 0.780 1
1 13 . 10 1 1 A 3 3 HIS CB C 3 32.820 30.757 2.063 1
1 15 . 10 1 1 A 3 3 HIS N N 3 118.801 122.541 -3.740 1
1 16 . 10 1 1 A 4 4 ILE H H 4 9.494 9.075 0.419 1
1 17 . 10 1 1 A 4 4 ILE HA H 4 5.508 5.197 0.311 1
1 27 . 10 1 1 A 4 4 ILE CA C 4 58.300 59.291 -0.991 1
1 28 . 10 1 1 A 4 4 ILE CB C 4 41.930 42.170 -0.240 1
1 32 . 10 1 1 A 4 4 ILE N N 4 118.202 118.433 -0.231 1
1 33 . 10 1 1 A 5 5 PHE H H 5 8.815 8.602 0.213 1
1 34 . 10 1 1 A 5 5 PHE HA H 5 5.789 5.362 0.427 1
1 42 . 10 1 1 A 5 5 PHE CA C 5 55.153 56.634 -1.481 1
1 43 . 10 1 1 A 5 5 PHE CB C 5 40.740 43.236 -2.496 1
1 47 . 10 1 1 A 5 5 PHE N N 5 126.107 123.029 3.078 1
1 48 . 10 1 1 A 6 6 VAL H H 6 9.078 7.534 1.544 1
1 49 . 10 1 1 A 6 6 VAL HA H 6 4.357 4.202 0.155 1
1 57 . 10 1 1 A 6 6 VAL CA C 6 59.157 59.271 -0.114 1
1 58 . 10 1 1 A 6 6 VAL CB C 6 33.473 34.671 -1.198 1
1 61 . 10 1 1 A 6 6 VAL N N 6 118.658 121.837 -3.179 1
1 62 . 10 1 1 A 7 7 TYR H H 7 6.878 7.554 -0.676 1
1 63 . 10 1 1 A 7 7 TYR HA H 7 4.170 4.592 -0.422 1
1 66 . 10 1 1 A 7 7 TYR CB C 7 36.608 39.723 -3.115 1
1 67 . 10 1 1 A 7 7 TYR N N 7 116.860 126.346 -9.486 1
1 68 . 10 1 1 A 8 8 GLY HA2 H 8 4.195 3.973 0.222 1
1 69 . 10 1 1 A 8 8 GLY HA3 H 8 2.933 4.154 -1.221 1
1 70 . 10 1 1 A 8 8 GLY CA C 8 46.169 45.519 0.650 1
1 71 . 10 1 1 A 9 9 THR H H 9 7.618 8.472 -0.854 1
1 72 . 10 1 1 A 9 9 THR HA H 9 3.831 4.055 -0.224 1
1 77 . 10 1 1 A 9 9 THR CA C 9 64.570 64.690 -0.120 1
1 78 . 10 1 1 A 9 9 THR CB C 9 68.494 68.585 -0.091 1
1 80 . 10 1 1 A 9 9 THR N N 9 115.934 113.132 2.802 1
1 81 . 10 1 1 A 10 10 LEU H H 10 7.561 7.343 0.218 1
1 82 . 10 1 1 A 10 10 LEU HA H 10 3.673 4.278 -0.605 1
1 92 . 10 1 1 A 10 10 LEU CA C 10 55.950 53.268 2.682 1
1 93 . 10 1 1 A 10 10 LEU CB C 10 41.610 41.750 -0.140 1
1 97 . 10 1 1 A 10 10 LEU N N 10 120.151 119.933 0.218 1
1 98 . 10 1 1 A 11 11 LYS H H 11 6.738 7.890 -1.152 1
1 99 . 10 1 1 A 11 11 LYS HA H 11 4.007 4.505 -0.498 1
1 103 . 10 1 1 A 11 11 LYS CA C 11 57.390 57.589 -0.199 1
1 104 . 10 1 1 A 11 11 LYS CB C 11 34.322 33.035 1.287 1
1 106 . 10 1 1 A 11 11 LYS N N 11 116.295 122.402 -6.107 1
1 107 . 10 1 1 A 12 12 ARG H H 12 9.432 8.119 1.313 1
1 108 . 10 1 1 A 12 12 ARG HA H 12 2.029 4.057 -2.028 1
1 115 . 10 1 1 A 12 12 ARG CA C 12 58.420 58.367 0.053 1
1 116 . 10 1 1 A 12 12 ARG CB C 12 29.190 30.377 -1.187 1
1 119 . 10 1 1 A 12 12 ARG N N 12 120.863 120.015 0.848 1
1 120 . 10 1 1 A 13 13 GLY H H 13 8.048 7.491 0.557 1
1 121 . 10 1 1 A 13 13 GLY HA2 H 13 3.990 4.040 -0.050 1
1 122 . 10 1 1 A 13 13 GLY HA3 H 13 3.538 4.094 -0.556 1
1 123 . 10 1 1 A 13 13 GLY CA C 13 45.490 45.203 0.287 1
1 124 . 10 1 1 A 13 13 GLY N N 13 111.120 105.329 5.791 1
1 125 . 10 1 1 A 14 14 GLN H H 14 7.904 7.625 0.279 1
1 126 . 10 1 1 A 14 14 GLN HA H 14 4.682 4.299 0.383 1
1 133 . 10 1 1 A 14 14 GLN CA C 14 53.440 54.404 -0.964 1
1 134 . 10 1 1 A 14 14 GLN CB C 14 27.115 27.956 -0.841 1
1 136 . 10 1 1 A 14 14 GLN N N 14 117.811 119.510 -1.699 1
1 138 . 10 1 1 A 15 15 PRO HA H 15 4.342 4.487 -0.145 1
1 145 . 10 1 1 A 15 15 PRO CA C 15 66.870 64.471 2.399 1
1 146 . 10 1 1 A 15 15 PRO CB C 15 34.060 31.890 2.170 1
1 149 . 10 1 1 A 16 16 ASN H H 16 8.287 8.625 -0.338 1
1 150 . 10 1 1 A 16 16 ASN HA H 16 5.356 4.977 0.379 1
1 155 . 10 1 1 A 16 16 ASN CA C 16 52.230 53.144 -0.914 1
1 156 . 10 1 1 A 16 16 ASN CB C 16 39.030 39.478 -0.448 1
1 157 . 10 1 1 A 16 16 ASN N N 16 110.638 117.065 -6.427 1
1 159 . 10 1 1 A 17 17 HIS H H 17 7.819 7.292 0.527 1
1 160 . 10 1 1 A 17 17 HIS HA H 17 3.815 4.173 -0.358 1
1 164 . 10 1 1 A 17 17 HIS CA C 17 60.140 59.266 0.874 1
1 165 . 10 1 1 A 17 17 HIS CB C 17 27.680 29.980 -2.300 1
1 167 . 10 1 1 A 17 17 HIS N N 17 121.058 119.511 1.547 1
1 168 . 10 1 1 A 18 18 LYS H H 18 8.326 8.163 0.163 1
1 169 . 10 1 1 A 18 18 LYS HA H 18 3.695 4.026 -0.331 1
1 175 . 10 1 1 A 18 18 LYS CA C 18 58.890 58.904 -0.014 1
1 176 . 10 1 1 A 18 18 LYS CB C 18 31.070 31.602 -0.532 1
1 180 . 10 1 1 A 18 18 LYS N N 18 112.812 118.262 -5.450 1
1 181 . 10 1 1 A 19 19 VAL H H 19 7.373 7.818 -0.445 1
1 182 . 10 1 1 A 19 19 VAL HA H 19 3.816 4.063 -0.247 1
1 190 . 10 1 1 A 19 19 VAL CA C 19 64.960 65.131 -0.171 1
1 191 . 10 1 1 A 19 19 VAL CB C 19 30.960 31.597 -0.637 1
1 194 . 10 1 1 A 19 19 VAL N N 19 117.691 116.286 1.405 1
1 195 . 10 1 1 A 20 20 MET H H 20 7.329 8.096 -0.767 1
1 196 . 10 1 1 A 20 20 MET HA H 20 3.951 4.194 -0.243 1
1 204 . 10 1 1 A 20 20 MET CA C 20 55.560 57.280 -1.720 1
1 205 . 10 1 1 A 20 20 MET CB C 20 31.460 31.788 -0.328 1
1 208 . 10 1 1 A 20 20 MET N N 20 114.870 118.713 -3.843 1
1 209 . 10 1 1 A 21 21 LEU H H 21 6.718 7.598 -0.880 1
1 210 . 10 1 1 A 21 21 LEU HA H 21 4.091 4.409 -0.318 1
1 220 . 10 1 1 A 21 21 LEU CA C 21 54.140 54.272 -0.132 1
1 221 . 10 1 1 A 21 21 LEU CB C 21 42.310 41.484 0.826 1
1 225 . 10 1 1 A 21 21 LEU N N 21 116.021 117.745 -1.724 1
1 226 . 10 1 1 A 22 22 ASP H H 22 6.399 7.299 -0.900 1
1 227 . 10 1 1 A 22 22 ASP HA H 22 4.288 4.773 -0.485 1
1 229 . 10 1 1 A 22 22 ASP CA C 22 52.776 52.912 -0.136 1
1 230 . 10 1 1 A 22 22 ASP CB C 22 40.180 40.983 -0.803 1
1 231 . 10 1 1 A 22 22 ASP N N 22 117.972 120.634 -2.662 1
1 232 . 10 1 1 A 23 23 HIS H H 23 8.601 8.770 -0.169 1
1 233 . 10 1 1 A 23 23 HIS HA H 23 4.848 4.270 0.578 1
1 237 . 10 1 1 A 23 23 HIS CA C 23 55.800 59.394 -3.594 1
1 238 . 10 1 1 A 23 23 HIS CB C 23 27.860 30.034 -2.174 1
1 240 . 10 1 1 A 23 23 HIS N N 23 123.395 126.057 -2.662 1
1 241 . 10 1 1 A 24 24 SER H H 24 8.526 7.881 0.645 1
1 242 . 10 1 1 A 24 24 SER HA H 24 4.105 3.928 0.177 1
1 244 . 10 1 1 A 24 24 SER CA C 24 60.870 60.622 0.248 1
1 245 . 10 1 1 A 24 24 SER CB C 24 62.510 62.925 -0.415 1
1 246 . 10 1 1 A 24 24 SER N N 24 117.035 114.100 2.935 1
1 247 . 10 1 1 A 25 25 HIS H H 25 7.450 7.700 -0.250 1
1 248 . 10 1 1 A 25 25 HIS HA H 25 4.494 4.051 0.443 1
1 252 . 10 1 1 A 25 25 HIS CA C 25 53.900 57.685 -3.785 1
1 253 . 10 1 1 A 25 25 HIS CB C 25 28.320 29.309 -0.989 1
1 255 . 10 1 1 A 25 25 HIS N N 25 117.560 116.945 0.615 1
1 256 . 10 1 1 A 26 26 GLY H H 26 6.926 7.054 -0.128 1
1 257 . 10 1 1 A 26 26 GLY HA2 H 26 3.587 3.833 -0.246 1
1 258 . 10 1 1 A 26 26 GLY HA3 H 26 4.362 3.923 0.439 1
1 259 . 10 1 1 A 26 26 GLY CA C 26 43.730 45.188 -1.458 1
1 260 . 10 1 1 A 26 26 GLY N N 26 103.120 104.849 -1.729 1
1 261 . 10 1 1 A 27 27 LEU H H 27 8.579 8.341 0.238 1
1 262 . 10 1 1 A 27 27 LEU HA H 27 4.327 4.706 -0.379 1
1 271 . 10 1 1 A 27 27 LEU CA C 27 54.520 55.336 -0.816 1
1 272 . 10 1 1 A 27 27 LEU CB C 27 44.250 42.659 1.591 1
1 276 . 10 1 1 A 27 27 LEU N N 27 121.940 121.448 0.492 1
1 277 . 10 1 1 A 28 28 ALA H H 28 7.776 8.581 -0.805 1
1 278 . 10 1 1 A 28 28 ALA HA H 28 5.231 5.547 -0.316 1
1 282 . 10 1 1 A 28 28 ALA CA C 28 50.990 50.929 0.061 1
1 283 . 10 1 1 A 28 28 ALA CB C 28 22.580 23.424 -0.844 1
1 284 . 10 1 1 A 28 28 ALA N N 28 123.020 128.381 -5.361 1
1 285 . 10 1 1 A 29 29 ALA H H 29 9.231 8.217 1.014 1
1 286 . 10 1 1 A 29 29 ALA HA H 29 4.857 5.034 -0.177 1
1 290 . 10 1 1 A 29 29 ALA CA C 29 50.661 51.340 -0.679 1
1 291 . 10 1 1 A 29 29 ALA CB C 29 21.140 22.836 -1.696 1
1 292 . 10 1 1 A 29 29 ALA N N 29 125.760 120.763 4.997 1
1 293 . 10 1 1 A 30 30 PHE H H 30 9.083 9.060 0.023 1
1 294 . 10 1 1 A 30 30 PHE HA H 30 3.397 4.490 -1.093 1
1 301 . 10 1 1 A 30 30 PHE CA C 30 59.895 58.584 1.311 1
1 302 . 10 1 1 A 30 30 PHE CB C 30 38.810 39.316 -0.506 1
1 305 . 10 1 1 A 30 30 PHE N N 30 126.590 122.181 4.409 1
1 306 . 10 1 1 A 31 31 ARG H H 31 8.102 8.432 -0.330 1
1 307 . 10 1 1 A 31 31 ARG HA H 31 3.941 4.114 -0.173 1
1 314 . 10 1 1 A 31 31 ARG CA C 31 53.120 54.071 -0.951 1
1 315 . 10 1 1 A 31 31 ARG CB C 31 31.665 30.726 0.939 1
1 318 . 10 1 1 A 31 31 ARG N N 31 125.007 127.275 -2.268 1
1 320 . 10 1 1 A 32 32 GLY H H 32 5.465 7.493 -2.028 1
1 321 . 10 1 1 A 32 32 GLY HA2 H 32 3.264 3.593 -0.329 1
1 322 . 10 1 1 A 32 32 GLY HA3 H 32 4.670 3.858 0.812 1
1 323 . 10 1 1 A 32 32 GLY CA C 32 45.150 44.201 0.949 1
1 324 . 10 1 1 A 32 32 GLY N N 32 101.400 113.954 -12.554 1
1 325 . 10 1 1 A 33 33 ARG H H 33 8.345 8.435 -0.090 1
1 326 . 10 1 1 A 33 33 ARG HA H 33 5.158 5.252 -0.094 1
1 332 . 10 1 1 A 33 33 ARG CA C 33 54.924 54.486 0.438 1
1 333 . 10 1 1 A 33 33 ARG CB C 33 34.180 34.478 -0.298 1
1 336 . 10 1 1 A 33 33 ARG N N 33 116.822 119.119 -2.297 1
1 338 . 10 1 1 A 34 34 GLY H H 34 8.549 8.323 0.226 1
1 339 . 10 1 1 A 34 34 GLY HA2 H 34 5.154 4.378 0.776 1
1 340 . 10 1 1 A 34 34 GLY HA3 H 34 3.752 4.393 -0.641 1
1 341 . 10 1 1 A 34 34 GLY CA C 34 45.620 45.808 -0.188 1
1 342 . 10 1 1 A 34 34 GLY N N 34 107.400 108.343 -0.943 1
1 343 . 10 1 1 A 35 35 CYS H H 35 8.803 8.751 0.052 1
1 344 . 10 1 1 A 35 35 CYS HA H 35 5.893 5.596 0.297 1
1 347 . 10 1 1 A 35 35 CYS CA C 35 55.420 57.875 -2.455 1
1 348 . 10 1 1 A 35 35 CYS CB C 35 30.960 31.960 -1.000 1
1 349 . 10 1 1 A 35 35 CYS N N 35 117.781 119.284 -1.503 1
1 350 . 10 1 1 A 36 36 THR H H 36 9.033 8.958 0.075 1
1 351 . 10 1 1 A 36 36 THR HA H 36 3.835 4.356 -0.521 1
1 356 . 10 1 1 A 36 36 THR CA C 36 64.160 61.577 2.583 1
1 357 . 10 1 1 A 36 36 THR CB C 36 68.200 68.031 0.169 1
1 359 . 10 1 1 A 36 36 THR N N 36 117.973 114.704 3.269 1
1 360 . 10 1 1 A 37 37 VAL H H 37 7.545 7.863 -0.318 1
1 361 . 10 1 1 A 37 37 VAL HA H 37 3.709 3.733 -0.024 1
1 369 . 10 1 1 A 37 37 VAL CA C 37 65.740 65.475 0.265 1
1 370 . 10 1 1 A 37 37 VAL CB C 37 32.410 31.481 0.929 1
1 373 . 10 1 1 A 37 37 VAL N N 37 121.706 122.417 -0.711 1
1 374 . 10 1 1 A 38 38 GLU H H 38 8.540 7.721 0.819 1
1 375 . 10 1 1 A 38 38 GLU HA H 38 4.264 4.112 0.152 1
1 380 . 10 1 1 A 38 38 GLU CA C 38 54.260 56.722 -2.462 1
1 381 . 10 1 1 A 38 38 GLU CB C 38 30.770 30.054 0.716 1
1 383 . 10 1 1 A 38 38 GLU N N 38 119.219 123.734 -4.515 1
1 384 . 10 1 1 A 39 39 SER H H 39 8.692 8.185 0.507 1
1 385 . 10 1 1 A 39 39 SER HA H 39 4.035 4.471 -0.436 1
1 388 . 10 1 1 A 39 39 SER CA C 39 57.370 59.106 -1.736 1
1 389 . 10 1 1 A 39 39 SER CB C 39 63.760 63.900 -0.140 1
1 390 . 10 1 1 A 39 39 SER N N 39 118.941 121.525 -2.584 1
1 391 . 10 1 1 A 40 40 PHE H H 40 8.302 8.799 -0.497 1
1 392 . 10 1 1 A 40 40 PHE HA H 40 4.986 4.881 0.105 1
1 400 . 10 1 1 A 40 40 PHE CA C 40 57.320 55.650 1.670 1
1 401 . 10 1 1 A 40 40 PHE CB C 40 44.292 42.724 1.568 1
1 405 . 10 1 1 A 40 40 PHE N N 40 119.300 121.250 -1.950 1
1 406 . 10 1 1 A 41 41 PRO HA H 41 3.828 3.983 -0.155 1
1 413 . 10 1 1 A 41 41 PRO CA C 41 62.270 62.099 0.171 1
1 414 . 10 1 1 A 41 41 PRO CB C 41 30.790 28.709 2.081 1
1 417 . 10 1 1 A 42 42 LEU H H 42 7.964 8.308 -0.344 1
1 418 . 10 1 1 A 42 42 LEU HA H 42 5.352 4.876 0.476 1
1 427 . 10 1 1 A 42 42 LEU CA C 42 53.830 55.081 -1.251 1
1 428 . 10 1 1 A 42 42 LEU CB C 42 42.380 42.549 -0.169 1
1 431 . 10 1 1 A 42 42 LEU N N 42 129.948 125.235 4.713 1
1 432 . 10 1 1 A 43 43 VAL H H 43 8.607 8.789 -0.182 1
1 433 . 10 1 1 A 43 43 VAL HA H 43 5.296 5.020 0.276 1
1 441 . 10 1 1 A 43 43 VAL CA C 43 58.040 60.048 -2.008 1
1 442 . 10 1 1 A 43 43 VAL CB C 43 35.220 34.719 0.501 1
1 445 . 10 1 1 A 43 43 VAL N N 43 117.190 122.525 -5.335 1
1 446 . 10 1 1 A 44 44 ILE H H 44 9.056 8.762 0.294 1
1 447 . 10 1 1 A 44 44 ILE HA H 44 4.426 4.055 0.371 1
1 457 . 10 1 1 A 44 44 ILE CA C 44 61.156 62.177 -1.021 1
1 458 . 10 1 1 A 44 44 ILE CB C 44 38.544 36.816 1.728 1
1 462 . 10 1 1 A 44 44 ILE N N 44 122.963 127.181 -4.218 1
1 463 . 10 1 1 A 45 45 ALA H H 45 8.701 8.010 0.691 1
1 464 . 10 1 1 A 45 45 ALA HA H 45 4.626 4.652 -0.026 1
1 468 . 10 1 1 A 45 45 ALA CA C 45 51.430 50.620 0.810 1
1 469 . 10 1 1 A 45 45 ALA CB C 45 21.670 20.798 0.872 1
1 470 . 10 1 1 A 45 45 ALA N N 45 126.347 129.094 -2.747 1
1 471 . 10 1 1 A 46 46 GLY H H 46 8.486 8.567 -0.081 1
1 472 . 10 1 1 A 46 46 GLY HA2 H 46 4.587 4.241 0.346 1
1 473 . 10 1 1 A 46 46 GLY HA3 H 46 4.084 4.252 -0.168 1
1 474 . 10 1 1 A 46 46 GLY CA C 46 44.500 44.904 -0.404 1
1 475 . 10 1 1 A 46 46 GLY N N 46 108.262 106.765 1.497 1
1 476 . 10 1 1 A 47 47 GLU H H 47 8.938 9.005 -0.067 1
1 477 . 10 1 1 A 47 47 GLU HA H 47 4.003 4.189 -0.186 1
1 480 . 10 1 1 A 47 47 GLU CA C 47 58.820 58.514 0.306 1
1 481 . 10 1 1 A 47 47 GLU CB C 47 29.500 29.503 -0.003 1
1 482 . 10 1 1 A 47 47 GLU N N 47 118.010 121.288 -3.278 1
1 483 . 10 1 1 A 48 48 HIS H H 48 8.742 7.769 0.973 1
1 484 . 10 1 1 A 48 48 HIS HA H 48 4.704 4.628 0.076 1
1 488 . 10 1 1 A 48 48 HIS CA C 48 55.130 55.723 -0.593 1
1 489 . 10 1 1 A 48 48 HIS CB C 48 29.110 30.048 -0.938 1
1 491 . 10 1 1 A 48 48 HIS N N 48 115.306 115.286 0.020 1
1 492 . 10 1 1 A 49 49 ASN H H 49 7.810 7.787 0.023 1
1 493 . 10 1 1 A 49 49 ASN HA H 49 3.878 4.199 -0.321 1
1 498 . 10 1 1 A 49 49 ASN CA C 49 53.876 54.330 -0.454 1
1 499 . 10 1 1 A 49 49 ASN CB C 49 36.030 36.697 -0.667 1
1 500 . 10 1 1 A 49 49 ASN N N 49 114.919 114.410 0.509 1
1 502 . 10 1 1 A 50 50 ILE H H 50 7.046 7.826 -0.780 1
1 503 . 10 1 1 A 50 50 ILE HA H 50 4.022 4.490 -0.468 1
1 513 . 10 1 1 A 50 50 ILE CA C 50 59.430 58.043 1.387 1
1 514 . 10 1 1 A 50 50 ILE CB C 50 41.326 38.406 2.920 1
1 518 . 10 1 1 A 50 50 ILE N N 50 120.995 120.153 0.842 1
1 519 . 10 1 1 A 51 51 PRO HA H 51 5.194 4.319 0.875 1
1 521 . 10 1 1 A 51 51 PRO CA C 51 60.560 62.772 -2.212 1
1 522 . 10 1 1 A 51 51 PRO CB C 51 31.841 31.817 0.024 1
1 523 . 10 1 1 A 52 52 TRP H H 52 9.564 8.236 1.328 1
1 524 . 10 1 1 A 52 52 TRP HA H 52 4.805 5.269 -0.464 1
1 532 . 10 1 1 A 52 52 TRP CA C 52 56.550 56.185 0.365 1
1 533 . 10 1 1 A 52 52 TRP CB C 52 32.300 32.883 -0.583 1
1 539 . 10 1 1 A 52 52 TRP N N 52 123.070 122.415 0.655 1
1 541 . 10 1 1 A 53 53 LEU H H 53 7.227 9.052 -1.825 1
1 542 . 10 1 1 A 53 53 LEU HA H 53 4.863 4.387 0.476 1
1 552 . 10 1 1 A 53 53 LEU CA C 53 53.790 55.611 -1.821 1
1 553 . 10 1 1 A 53 53 LEU CB C 53 42.250 43.385 -1.135 1
1 557 . 10 1 1 A 53 53 LEU N N 53 124.700 125.092 -0.392 1
1 558 . 10 1 1 A 54 54 LEU H H 54 9.021 8.063 0.958 1
1 559 . 10 1 1 A 54 54 LEU HA H 54 4.618 4.216 0.402 1
1 569 . 10 1 1 A 54 54 LEU CA C 54 54.030 57.047 -3.017 1
1 570 . 10 1 1 A 54 54 LEU CB C 54 40.360 40.535 -0.175 1
1 574 . 10 1 1 A 54 54 LEU N N 54 126.893 119.759 7.134 1
1 575 . 10 1 1 A 55 55 TYR H H 55 8.884 8.713 0.171 1
1 576 . 10 1 1 A 55 55 TYR HA H 55 4.562 5.183 -0.621 1
1 583 . 10 1 1 A 55 55 TYR CA C 55 58.420 56.292 2.128 1
1 584 . 10 1 1 A 55 55 TYR CB C 55 36.180 39.967 -3.787 1
1 587 . 10 1 1 A 55 55 TYR N N 55 123.430 122.330 1.100 1
1 588 . 10 1 1 A 56 56 LEU H H 56 8.192 8.831 -0.639 1
1 589 . 10 1 1 A 56 56 LEU HA H 56 4.530 4.593 -0.063 1
1 598 . 10 1 1 A 56 56 LEU CA C 56 51.720 51.809 -0.089 1
1 599 . 10 1 1 A 56 56 LEU CB C 56 43.260 43.131 0.129 1
1 602 . 10 1 1 A 56 56 LEU N N 56 130.832 128.476 2.356 1
1 603 . 10 1 1 A 57 57 PRO HA H 57 3.779 3.460 0.319 1
1 610 . 10 1 1 A 57 57 PRO CA C 57 62.240 63.169 -0.929 1
1 611 . 10 1 1 A 57 57 PRO CB C 57 31.130 31.170 -0.040 1
1 614 . 10 1 1 A 58 58 GLY H H 58 8.908 8.494 0.414 1
1 615 . 10 1 1 A 58 58 GLY HA2 H 58 4.027 3.777 0.250 1
1 616 . 10 1 1 A 58 58 GLY HA3 H 58 3.433 3.807 -0.374 1
1 617 . 10 1 1 A 58 58 GLY CA C 58 44.860 45.447 -0.587 1
1 618 . 10 1 1 A 58 58 GLY N N 58 112.351 111.601 0.750 1
1 619 . 10 1 1 A 59 59 LYS H H 59 7.214 7.282 -0.068 1
1 620 . 10 1 1 A 59 59 LYS HA H 59 4.386 4.633 -0.247 1
1 629 . 10 1 1 A 59 59 LYS CA C 59 53.760 54.661 -0.901 1
1 630 . 10 1 1 A 59 59 LYS CB C 59 34.590 35.384 -0.794 1
1 634 . 10 1 1 A 59 59 LYS N N 59 121.458 120.963 0.495 1
1 635 . 10 1 1 A 60 60 GLY H H 60 8.312 8.295 0.017 1
1 636 . 10 1 1 A 60 60 GLY HA2 H 60 3.379 2.914 0.465 1
1 637 . 10 1 1 A 60 60 GLY HA3 H 60 3.229 3.116 0.113 1
1 638 . 10 1 1 A 60 60 GLY CA C 60 45.350 45.069 0.281 1
1 639 . 10 1 1 A 60 60 GLY N N 60 103.990 112.951 -8.961 1
1 640 . 10 1 1 A 61 61 HIS H H 61 7.880 7.592 0.288 1
1 641 . 10 1 1 A 61 61 HIS HA H 61 4.868 5.188 -0.320 1
1 645 . 10 1 1 A 61 61 HIS CA C 61 53.920 54.639 -0.719 1
1 646 . 10 1 1 A 61 61 HIS CB C 61 33.020 33.724 -0.704 1
1 648 . 10 1 1 A 61 61 HIS N N 61 121.221 119.785 1.436 1
1 649 . 10 1 1 A 62 62 CYS H H 62 8.760 8.615 0.145 1
1 650 . 10 1 1 A 62 62 CYS HA H 62 4.248 4.491 -0.243 1
1 653 . 10 1 1 A 62 62 CYS CA C 62 61.730 59.238 2.492 1
1 654 . 10 1 1 A 62 62 CYS CB C 62 26.560 28.777 -2.217 1
1 655 . 10 1 1 A 62 62 CYS N N 62 121.842 120.345 1.497 1
1 656 . 10 1 1 A 63 63 VAL H H 63 8.109 8.335 -0.226 1
1 657 . 10 1 1 A 63 63 VAL HA H 63 4.869 4.853 0.016 1
1 665 . 10 1 1 A 63 63 VAL CA C 63 62.210 61.448 0.762 1
1 666 . 10 1 1 A 63 63 VAL CB C 63 34.780 35.109 -0.329 1
1 669 . 10 1 1 A 63 63 VAL N N 63 127.029 122.043 4.986 1
1 670 . 10 1 1 A 64 64 THR H H 64 8.453 8.742 -0.289 1
1 671 . 10 1 1 A 64 64 THR HA H 64 5.349 4.845 0.504 1
1 676 . 10 1 1 A 64 64 THR CA C 64 61.100 61.549 -0.449 1
1 677 . 10 1 1 A 64 64 THR CB C 64 70.790 70.262 0.528 1
1 679 . 10 1 1 A 64 64 THR N N 64 116.830 120.237 -3.407 1
1 680 . 10 1 1 A 65 65 GLY H H 65 8.663 8.602 0.061 1
1 681 . 10 1 1 A 65 65 GLY HA2 H 65 4.085 3.917 0.168 1
1 682 . 10 1 1 A 65 65 GLY HA3 H 65 3.480 4.205 -0.725 1
1 683 . 10 1 1 A 65 65 GLY CA C 65 46.570 46.105 0.465 1
1 684 . 10 1 1 A 65 65 GLY N N 65 107.680 109.070 -1.390 1
1 685 . 10 1 1 A 66 66 GLU H H 66 8.574 8.345 0.229 1
1 686 . 10 1 1 A 66 66 GLU HA H 66 5.150 5.065 0.085 1
1 689 . 10 1 1 A 66 66 GLU CA C 66 54.450 54.660 -0.210 1
1 690 . 10 1 1 A 66 66 GLU CB C 66 37.328 32.949 4.379 1
1 691 . 10 1 1 A 66 66 GLU N N 66 120.921 119.804 1.117 1
1 692 . 10 1 1 A 67 67 ILE H H 67 8.623 8.492 0.131 1
1 693 . 10 1 1 A 67 67 ILE HA H 67 5.149 4.825 0.324 1
1 703 . 10 1 1 A 67 67 ILE CA C 67 60.180 60.503 -0.323 1
1 704 . 10 1 1 A 67 67 ILE CB C 67 40.210 39.368 0.842 1
1 708 . 10 1 1 A 67 67 ILE N N 67 121.340 121.869 -0.529 1
1 709 . 10 1 1 A 68 68 TYR H H 68 9.196 8.731 0.465 1
1 710 . 10 1 1 A 68 68 TYR HA H 68 5.001 5.313 -0.312 1
1 717 . 10 1 1 A 68 68 TYR CA C 68 56.270 56.457 -0.187 1
1 718 . 10 1 1 A 68 68 TYR CB C 68 41.480 40.809 0.671 1
1 721 . 10 1 1 A 68 68 TYR N N 68 123.650 126.719 -3.069 1
1 722 . 10 1 1 A 69 69 GLU H H 69 9.302 8.868 0.434 1
1 723 . 10 1 1 A 69 69 GLU HA H 69 5.066 4.391 0.675 1
1 728 . 10 1 1 A 69 69 GLU CA C 69 55.180 57.371 -2.191 1
1 729 . 10 1 1 A 69 69 GLU CB C 69 31.420 30.328 1.092 1
1 731 . 10 1 1 A 69 69 GLU N N 69 124.090 125.278 -1.188 1
1 732 . 10 1 1 A 70 70 VAL H H 70 8.908 8.831 0.077 1
1 733 . 10 1 1 A 70 70 VAL HA H 70 5.556 5.345 0.211 1
1 741 . 10 1 1 A 70 70 VAL CA C 70 57.780 59.033 -1.253 1
1 742 . 10 1 1 A 70 70 VAL CB C 70 35.400 35.958 -0.558 1
1 745 . 10 1 1 A 70 70 VAL N N 70 119.540 120.295 -0.755 1
1 746 . 10 1 1 A 71 71 ASP H H 71 7.939 8.690 -0.751 1
1 747 . 10 1 1 A 71 71 ASP HA H 71 4.909 5.006 -0.097 1
1 750 . 10 1 1 A 71 71 ASP CA C 71 51.240 52.521 -1.281 1
1 751 . 10 1 1 A 71 71 ASP CB C 71 42.210 43.671 -1.461 1
1 752 . 10 1 1 A 71 71 ASP N N 71 120.720 120.780 -0.060 1
1 753 . 10 1 1 A 72 72 GLU H H 72 8.364 9.110 -0.746 1
1 754 . 10 1 1 A 72 72 GLU HA H 72 3.869 3.912 -0.043 1
1 757 . 10 1 1 A 72 72 GLU CA C 72 59.775 59.887 -0.112 1
1 758 . 10 1 1 A 72 72 GLU CB C 72 29.140 29.353 -0.213 1
1 760 . 10 1 1 A 72 72 GLU N N 72 117.910 122.110 -4.200 1
1 761 . 10 1 1 A 73 73 GLN H H 73 7.960 7.889 0.071 1
1 762 . 10 1 1 A 73 73 GLN HA H 73 3.899 4.099 -0.200 1
1 767 . 10 1 1 A 73 73 GLN CA C 73 59.570 58.845 0.725 1
1 768 . 10 1 1 A 73 73 GLN CB C 73 27.810 28.323 -0.513 1
1 770 . 10 1 1 A 73 73 GLN N N 73 119.617 120.027 -0.410 1
1 772 . 10 1 1 A 74 74 MET H H 74 8.489 7.956 0.533 1
1 773 . 10 1 1 A 74 74 MET HA H 74 4.766 4.277 0.489 1
1 780 . 10 1 1 A 74 74 MET CA C 74 56.790 58.400 -1.610 1
1 781 . 10 1 1 A 74 74 MET CB C 74 31.900 32.076 -0.176 1
1 784 . 10 1 1 A 74 74 MET N N 74 121.800 119.309 2.491 1
1 785 . 10 1 1 A 75 75 LEU H H 75 8.162 7.973 0.189 1
1 786 . 10 1 1 A 75 75 LEU HA H 75 3.897 4.182 -0.285 1
1 796 . 10 1 1 A 75 75 LEU CA C 75 58.230 57.824 0.406 1
1 797 . 10 1 1 A 75 75 LEU CB C 75 42.160 41.122 1.038 1
1 801 . 10 1 1 A 75 75 LEU N N 75 120.230 121.498 -1.268 1
1 802 . 10 1 1 A 76 76 ARG H H 76 7.824 8.099 -0.275 1
1 803 . 10 1 1 A 76 76 ARG HA H 76 3.952 4.035 -0.083 1
1 811 . 10 1 1 A 76 76 ARG CA C 76 59.270 59.377 -0.107 1
1 812 . 10 1 1 A 76 76 ARG CB C 76 29.930 29.956 -0.026 1
1 815 . 10 1 1 A 76 76 ARG N N 76 116.540 120.231 -3.691 1
1 817 . 10 1 1 A 77 77 PHE H H 77 8.137 8.104 0.033 1
1 818 . 10 1 1 A 77 77 PHE HA H 77 4.085 4.231 -0.146 1
1 825 . 10 1 1 A 77 77 PHE CA C 77 61.980 61.288 0.692 1
1 826 . 10 1 1 A 77 77 PHE CB C 77 38.530 39.284 -0.754 1
1 829 . 10 1 1 A 77 77 PHE N N 77 120.650 121.921 -1.271 1
1 830 . 10 1 1 A 78 78 LEU H H 78 9.071 9.001 0.070 1
1 831 . 10 1 1 A 78 78 LEU HA H 78 3.629 3.751 -0.122 1
1 841 . 10 1 1 A 78 78 LEU CA C 78 57.730 58.221 -0.491 1
1 842 . 10 1 1 A 78 78 LEU CB C 78 41.420 41.632 -0.212 1
1 846 . 10 1 1 A 78 78 LEU N N 78 122.360 119.523 2.837 1
1 847 . 10 1 1 A 79 79 ASP H H 79 8.506 7.975 0.531 1
1 848 . 10 1 1 A 79 79 ASP HA H 79 4.320 3.861 0.459 1
1 851 . 10 1 1 A 79 79 ASP CA C 79 57.190 57.677 -0.487 1
1 852 . 10 1 1 A 79 79 ASP CB C 79 39.420 41.886 -2.466 1
1 853 . 10 1 1 A 79 79 ASP N N 79 120.070 118.992 1.078 1
1 854 . 10 1 1 A 80 80 ASP H H 80 7.154 7.492 -0.338 1
1 855 . 10 1 1 A 80 80 ASP HA H 80 4.501 4.305 0.196 1
1 858 . 10 1 1 A 80 80 ASP CA C 80 56.700 55.981 0.719 1
1 859 . 10 1 1 A 80 80 ASP CB C 80 40.660 40.526 0.134 1
1 860 . 10 1 1 A 80 80 ASP N N 80 118.890 119.124 -0.234 1
1 861 . 10 1 1 A 81 81 PHE H H 81 8.791 8.203 0.588 1
1 862 . 10 1 1 A 81 81 PHE HA H 81 3.659 3.860 -0.201 1
1 867 . 10 1 1 A 81 81 PHE CA C 81 61.640 60.594 1.046 1
1 868 . 10 1 1 A 81 81 PHE CB C 81 40.210 38.991 1.219 1
1 870 . 10 1 1 A 81 81 PHE N N 81 125.745 120.414 5.331 1
1 871 . 10 1 1 A 82 82 GLU H H 82 8.209 7.873 0.336 1
1 872 . 10 1 1 A 82 82 GLU HA H 82 3.956 4.165 -0.209 1
1 875 . 10 1 1 A 82 82 GLU CA C 82 55.060 55.452 -0.392 1
1 876 . 10 1 1 A 82 82 GLU CB C 82 28.910 28.427 0.483 1
1 878 . 10 1 1 A 82 82 GLU N N 82 115.707 115.223 0.484 1
1 879 . 10 1 1 A 83 83 ASP H H 83 7.615 7.945 -0.330 1
1 880 . 10 1 1 A 83 83 ASP HA H 83 4.236 4.117 0.119 1
1 883 . 10 1 1 A 83 83 ASP CA C 83 54.370 55.456 -1.086 1
1 884 . 10 1 1 A 83 83 ASP CB C 83 39.400 39.062 0.338 1
1 885 . 10 1 1 A 83 83 ASP N N 83 116.517 115.520 0.997 1
1 886 . 10 1 1 A 84 84 CYS H H 84 8.361 7.865 0.496 1
1 887 . 10 1 1 A 84 84 CYS HA H 84 5.522 4.661 0.861 1
1 890 . 10 1 1 A 84 84 CYS CA C 84 56.617 58.457 -1.840 1
1 891 . 10 1 1 A 84 84 CYS CB C 84 27.651 26.990 0.661 1
1 892 . 10 1 1 A 84 84 CYS N N 84 119.420 117.754 1.666 1
1 893 . 10 1 1 A 85 85 PRO HA H 85 5.704 4.753 0.951 1
1 900 . 10 1 1 A 85 85 PRO CA C 85 64.355 64.206 0.149 1
1 901 . 10 1 1 A 85 85 PRO CB C 85 33.190 31.871 1.319 1
1 904 . 10 1 1 A 86 86 SER H H 86 8.389 8.538 -0.149 1
1 905 . 10 1 1 A 86 86 SER HA H 86 4.175 4.164 0.011 1
1 907 . 10 1 1 A 86 86 SER CA C 86 62.130 61.575 0.555 1
1 908 . 10 1 1 A 86 86 SER CB C 86 63.080 62.926 0.154 1
1 909 . 10 1 1 A 86 86 SER N N 86 122.195 114.126 8.069 1
1 910 . 10 1 1 A 87 87 MET H H 87 8.576 8.463 0.113 1
1 911 . 10 1 1 A 87 87 MET HA H 87 4.475 4.461 0.014 1
1 918 . 10 1 1 A 87 87 MET CA C 87 57.520 58.351 -0.831 1
1 919 . 10 1 1 A 87 87 MET CB C 87 33.210 34.281 -1.071 1
1 922 . 10 1 1 A 87 87 MET N N 87 121.299 119.969 1.330 1
1 923 . 10 1 1 A 88 88 TYR H H 88 6.778 8.164 -1.386 1
1 924 . 10 1 1 A 88 88 TYR HA H 88 5.023 5.342 -0.319 1
1 931 . 10 1 1 A 88 88 TYR CA C 88 56.300 57.427 -1.127 1
1 932 . 10 1 1 A 88 88 TYR CB C 88 42.530 41.123 1.407 1
1 935 . 10 1 1 A 88 88 TYR N N 88 113.420 115.314 -1.894 1
1 936 . 10 1 1 A 89 89 GLN H H 89 9.567 9.314 0.253 1
1 937 . 10 1 1 A 89 89 GLN HA H 89 4.857 5.089 -0.232 1
1 944 . 10 1 1 A 89 89 GLN CA C 89 55.870 54.615 1.255 1
1 945 . 10 1 1 A 89 89 GLN CB C 89 30.430 32.537 -2.107 1
1 947 . 10 1 1 A 89 89 GLN N N 89 115.440 119.452 -4.012 1
1 949 . 10 1 1 A 90 90 ARG H H 90 8.772 8.577 0.195 1
1 950 . 10 1 1 A 90 90 ARG HA H 90 4.499 4.223 0.276 1
1 958 . 10 1 1 A 90 90 ARG CA C 90 56.620 56.093 0.527 1
1 959 . 10 1 1 A 90 90 ARG CB C 90 29.020 30.193 -1.173 1
1 962 . 10 1 1 A 90 90 ARG N N 90 123.860 124.065 -0.205 1
1 964 . 10 1 1 A 91 91 THR H H 91 9.217 9.128 0.089 1
1 965 . 10 1 1 A 91 91 THR HA H 91 4.518 5.033 -0.515 1
1 970 . 10 1 1 A 91 91 THR CA C 91 60.570 61.075 -0.505 1
1 971 . 10 1 1 A 91 91 THR CB C 91 71.050 72.718 -1.668 1
1 973 . 10 1 1 A 91 91 THR N N 91 125.064 121.922 3.142 1
1 974 . 10 1 1 A 92 92 ALA H H 92 8.655 8.588 0.067 1
1 975 . 10 1 1 A 92 92 ALA HA H 92 5.041 5.434 -0.393 1
1 979 . 10 1 1 A 92 92 ALA CA C 92 51.320 50.715 0.605 1
1 980 . 10 1 1 A 92 92 ALA CB C 92 19.480 21.457 -1.977 1
1 981 . 10 1 1 A 92 92 ALA N N 92 126.963 126.026 0.937 1
1 982 . 10 1 1 A 93 93 LEU H H 93 9.005 8.602 0.403 1
1 983 . 10 1 1 A 93 93 LEU HA H 93 4.720 5.003 -0.283 1
1 993 . 10 1 1 A 93 93 LEU CA C 93 53.750 53.856 -0.106 1
1 994 . 10 1 1 A 93 93 LEU CB C 93 45.340 45.212 0.128 1
1 998 . 10 1 1 A 93 93 LEU N N 93 122.440 118.791 3.649 1
1 999 . 10 1 1 A 94 94 GLN H H 94 8.360 8.714 -0.354 1
1 1000 . 10 1 1 A 94 94 GLN HA H 94 4.229 4.896 -0.667 1
1 1005 . 10 1 1 A 94 94 GLN CA C 94 56.040 55.011 1.029 1
1 1006 . 10 1 1 A 94 94 GLN CB C 94 28.780 30.637 -1.857 1
1 1008 . 10 1 1 A 94 94 GLN N N 94 119.357 120.661 -1.304 1
1 1010 . 10 1 1 A 95 95 VAL H H 95 8.612 8.989 -0.377 1
1 1011 . 10 1 1 A 95 95 VAL HA H 95 4.013 4.414 -0.401 1
1 1019 . 10 1 1 A 95 95 VAL CA C 95 61.440 60.516 0.924 1
1 1020 . 10 1 1 A 95 95 VAL CB C 95 35.110 34.599 0.511 1
1 1023 . 10 1 1 A 95 95 VAL N N 95 126.928 126.380 0.548 1
1 1024 . 10 1 1 A 96 96 GLN H H 96 9.222 8.615 0.607 1
1 1025 . 10 1 1 A 96 96 GLN HA H 96 4.279 4.443 -0.164 1
1 1032 . 10 1 1 A 96 96 GLN CA C 96 55.150 55.842 -0.692 1
1 1033 . 10 1 1 A 96 96 GLN CB C 96 29.100 29.574 -0.474 1
1 1035 . 10 1 1 A 96 96 GLN N N 96 128.360 126.238 2.122 1
1 1037 . 10 1 1 A 97 97 VAL H H 97 8.233 9.122 -0.889 1
1 1038 . 10 1 1 A 97 97 VAL HA H 97 3.674 4.137 -0.463 1
1 1046 . 10 1 1 A 97 97 VAL CA C 97 64.040 62.841 1.199 1
1 1047 . 10 1 1 A 97 97 VAL CB C 97 31.920 30.752 1.168 1
1 1050 . 10 1 1 A 97 97 VAL N N 97 128.120 125.757 2.363 1
1 1051 . 10 1 1 A 98 98 LEU H H 98 8.880 9.130 -0.250 1
1 1052 . 10 1 1 A 98 98 LEU HA H 98 4.472 4.340 0.132 1
1 1059 . 10 1 1 A 98 98 LEU CA C 98 55.641 56.015 -0.374 1
1 1060 . 10 1 1 A 98 98 LEU CB C 98 42.510 43.207 -0.697 1
1 1063 . 10 1 1 A 98 98 LEU N N 98 128.877 129.044 -0.167 1
1 1064 . 10 1 1 A 99 99 GLU H H 99 7.682 7.349 0.333 1
1 1065 . 10 1 1 A 99 99 GLU HA H 99 4.403 4.765 -0.362 1
1 1070 . 10 1 1 A 99 99 GLU CA C 99 56.310 56.075 0.235 1
1 1071 . 10 1 1 A 99 99 GLU CB C 99 32.790 33.261 -0.471 1
1 1073 . 10 1 1 A 99 99 GLU N N 99 118.210 117.658 0.552 1
1 1074 . 10 1 1 A 100 100 TRP H H 100 8.883 8.686 0.197 1
1 1075 . 10 1 1 A 100 100 TRP HA H 100 5.205 5.044 0.161 1
1 1084 . 10 1 1 A 100 100 TRP CA C 100 55.982 56.899 -0.917 1
1 1085 . 10 1 1 A 100 100 TRP CB C 100 32.430 32.697 -0.267 1
1 1091 . 10 1 1 A 100 100 TRP N N 100 126.421 126.446 -0.025 1
1 1093 . 10 1 1 A 101 101 GLU H H 101 8.116 8.197 -0.081 1
1 1094 . 10 1 1 A 101 101 GLU HA H 101 4.462 4.581 -0.119 1
1 1098 . 10 1 1 A 101 101 GLU CA C 101 55.050 55.478 -0.428 1
1 1099 . 10 1 1 A 101 101 GLU CB C 101 30.950 29.749 1.201 1
1 1101 . 10 1 1 A 101 101 GLU N N 101 128.535 126.475 2.060 1
1 1102 . 10 1 1 A 102 102 GLY H H 102 7.614 8.202 -0.588 1
1 1103 . 10 1 1 A 102 102 GLY HA2 H 102 3.853 3.919 -0.066 1
1 1104 . 10 1 1 A 102 102 GLY HA3 H 102 3.905 4.011 -0.106 1
1 1105 . 10 1 1 A 102 102 GLY CA C 102 44.440 43.820 0.620 1
1 1106 . 10 1 1 A 102 102 GLY N N 102 108.953 111.438 -2.485 1
1 1107 . 10 1 1 A 103 103 ASP H H 103 8.261 8.469 -0.208 1
1 1108 . 10 1 1 A 103 103 ASP HA H 103 4.641 4.593 0.048 1
1 1111 . 10 1 1 A 103 103 ASP CA C 103 54.530 55.649 -1.119 1
1 1112 . 10 1 1 A 103 103 ASP CB C 103 41.690 41.033 0.657 1
1 1113 . 10 1 1 A 103 103 ASP N N 103 118.730 120.288 -1.558 1
1 1114 . 10 1 1 A 104 104 GLY H H 104 8.526 8.995 -0.469 1
1 1115 . 10 1 1 A 104 104 GLY HA2 H 104 3.719 3.965 -0.246 1
1 1116 . 10 1 1 A 104 104 GLY HA3 H 104 3.892 4.122 -0.230 1
1 1117 . 10 1 1 A 104 104 GLY CA C 104 45.960 46.476 -0.516 1
1 1118 . 10 1 1 A 104 104 GLY N N 104 109.230 113.867 -4.637 1
1 1119 . 10 1 1 A 105 105 ASP H H 105 7.806 7.972 -0.166 1
1 1120 . 10 1 1 A 105 105 ASP HA H 105 3.381 4.251 -0.870 1
1 1123 . 10 1 1 A 105 105 ASP CA C 105 51.020 50.400 0.620 1
1 1124 . 10 1 1 A 105 105 ASP CB C 105 41.406 40.847 0.559 1
1 1125 . 10 1 1 A 105 105 ASP N N 105 119.739 120.462 -0.723 1
1 1126 . 10 1 1 A 106 106 PRO HA H 106 4.065 4.222 -0.157 1
1 1133 . 10 1 1 A 106 106 PRO CA C 106 62.970 63.569 -0.599 1
1 1134 . 10 1 1 A 106 106 PRO CB C 106 31.660 31.883 -0.223 1
1 1137 . 10 1 1 A 107 107 GLY H H 107 7.863 7.252 0.611 1
1 1138 . 10 1 1 A 107 107 GLY HA2 H 107 3.401 3.982 -0.581 1
1 1139 . 10 1 1 A 107 107 GLY HA3 H 107 4.103 3.985 0.118 1
1 1140 . 10 1 1 A 107 107 GLY CA C 107 44.170 43.642 0.528 1
1 1141 . 10 1 1 A 107 107 GLY N N 107 109.610 108.606 1.004 1
1 1142 . 10 1 1 A 108 108 ASP H H 108 8.171 8.509 -0.338 1
1 1143 . 10 1 1 A 108 108 ASP HA H 108 4.283 4.532 -0.249 1
1 1145 . 10 1 1 A 108 108 ASP CA C 108 56.430 54.725 1.705 1
1 1146 . 10 1 1 A 108 108 ASP CB C 108 41.490 41.083 0.407 1
1 1147 . 10 1 1 A 108 108 ASP N N 108 119.264 121.912 -2.648 1
1 1148 . 10 1 1 A 109 109 SER H H 109 7.560 7.705 -0.145 1
1 1149 . 10 1 1 A 109 109 SER HA H 109 5.188 5.164 0.024 1
1 1152 . 10 1 1 A 109 109 SER CA C 109 56.740 57.401 -0.661 1
1 1153 . 10 1 1 A 109 109 SER CB C 109 65.780 65.808 -0.028 1
1 1154 . 10 1 1 A 109 109 SER N N 109 110.810 112.289 -1.479 1
1 1155 . 10 1 1 A 110 110 VAL H H 110 8.932 8.949 -0.017 1
1 1156 . 10 1 1 A 110 110 VAL HA H 110 4.262 4.838 -0.576 1
1 1164 . 10 1 1 A 110 110 VAL CA C 110 59.470 58.756 0.714 1
1 1165 . 10 1 1 A 110 110 VAL CB C 110 35.400 35.834 -0.434 1
1 1168 . 10 1 1 A 110 110 VAL N N 110 118.530 116.132 2.398 1
1 1169 . 10 1 1 A 111 111 GLN H H 111 8.468 8.588 -0.120 1
1 1170 . 10 1 1 A 111 111 GLN HA H 111 4.422 4.888 -0.466 1
1 1177 . 10 1 1 A 111 111 GLN CA C 111 55.960 54.324 1.636 1
1 1178 . 10 1 1 A 111 111 GLN CB C 111 29.470 29.645 -0.175 1
1 1180 . 10 1 1 A 111 111 GLN N N 111 127.378 121.570 5.808 1
1 1182 . 10 1 1 A 112 112 CYS H H 112 8.785 8.113 0.672 1
1 1183 . 10 1 1 A 112 112 CYS HA H 112 4.782 4.354 0.428 1
1 1186 . 10 1 1 A 112 112 CYS CA C 112 57.100 58.649 -1.549 1
1 1187 . 10 1 1 A 112 112 CYS CB C 112 33.700 29.303 4.397 1
1 1188 . 10 1 1 A 112 112 CYS N N 112 122.300 125.663 -3.363 1
1 1189 . 10 1 1 A 113 113 PHE H H 113 8.838 8.893 -0.055 1
1 1190 . 10 1 1 A 113 113 PHE HA H 113 5.154 5.531 -0.377 1
1 1197 . 10 1 1 A 113 113 PHE CA C 113 58.650 56.733 1.917 1
1 1198 . 10 1 1 A 113 113 PHE CB C 113 40.210 42.148 -1.938 1
1 1201 . 10 1 1 A 113 113 PHE N N 113 118.974 120.406 -1.432 1
1 1202 . 10 1 1 A 114 114 VAL H H 114 9.079 8.635 0.444 1
1 1203 . 10 1 1 A 114 114 VAL HA H 114 4.472 4.927 -0.455 1
1 1211 . 10 1 1 A 114 114 VAL CA C 114 60.650 60.874 -0.224 1
1 1212 . 10 1 1 A 114 114 VAL CB C 114 35.970 35.985 -0.015 1
1 1215 . 10 1 1 A 114 114 VAL N N 114 121.660 120.877 0.783 1
1 1216 . 10 1 1 A 115 115 TYR H H 115 9.672 8.464 1.208 1
1 1217 . 10 1 1 A 115 115 TYR HA H 115 4.988 4.902 0.086 1
1 1224 . 10 1 1 A 115 115 TYR CA C 115 59.240 57.259 1.981 1
1 1225 . 10 1 1 A 115 115 TYR CB C 115 36.925 37.886 -0.961 1
1 1228 . 10 1 1 A 115 115 TYR N N 115 127.830 126.714 1.116 1
1 1229 . 10 1 1 A 116 116 THR H H 116 9.061 8.999 0.062 1
1 1230 . 10 1 1 A 116 116 THR HA H 116 5.435 5.237 0.198 1
1 1235 . 10 1 1 A 116 116 THR CA C 116 60.130 60.581 -0.451 1
1 1236 . 10 1 1 A 116 116 THR CB C 116 71.910 70.915 0.995 1
1 1238 . 10 1 1 A 116 116 THR N N 116 119.130 115.307 3.823 1
1 1239 . 10 1 1 A 117 117 THR H H 117 8.707 8.715 -0.008 1
1 1240 . 10 1 1 A 117 117 THR HA H 117 5.561 5.162 0.399 1
1 1245 . 10 1 1 A 117 117 THR CA C 117 60.160 60.483 -0.323 1
1 1246 . 10 1 1 A 117 117 THR CB C 117 70.170 70.902 -0.732 1
1 1248 . 10 1 1 A 117 117 THR N N 117 111.190 115.165 -3.975 1
1 1249 . 10 1 1 A 118 118 ALA H H 118 9.257 8.460 0.797 1
1 1250 . 10 1 1 A 118 118 ALA HA H 118 5.033 4.686 0.347 1
1 1254 . 10 1 1 A 118 118 ALA CA C 118 51.550 52.255 -0.705 1
1 1255 . 10 1 1 A 118 118 ALA CB C 118 20.050 20.343 -0.293 1
1 1256 . 10 1 1 A 118 118 ALA N N 118 132.010 127.946 4.064 1
1 1257 . 10 1 1 A 119 119 THR H H 119 8.628 7.051 1.577 1
1 1258 . 10 1 1 A 119 119 THR HA H 119 4.143 4.235 -0.092 1
1 1263 . 10 1 1 A 119 119 THR CA C 119 60.090 62.020 -1.930 1
1 1264 . 10 1 1 A 119 119 THR CB C 119 68.056 69.329 -1.273 1
1 1266 . 10 1 1 A 119 119 THR N N 119 114.350 106.943 7.407 1
1 1267 . 10 1 1 A 120 120 TYR H H 120 6.281 7.414 -1.133 1
1 1268 . 10 1 1 A 120 120 TYR HA H 120 3.594 3.950 -0.356 1
1 1273 . 10 1 1 A 120 120 TYR CA C 120 53.530 57.532 -4.002 1
1 1274 . 10 1 1 A 120 120 TYR CB C 120 40.072 39.545 0.527 1
1 1276 . 10 1 1 A 120 120 TYR N N 120 117.205 121.581 -4.376 1
1 1277 . 10 1 1 A 121 121 ALA HA H 121 5.030 4.516 0.514 1
1 1278 . 10 1 1 A 121 121 ALA CA C 121 51.536 49.524 2.012 1
1 1279 . 10 1 1 A 122 122 PRO HA H 122 4.059 4.183 -0.124 1
1 1285 . 10 1 1 A 122 122 PRO CA C 122 65.435 64.723 0.712 1
1 1286 . 10 1 1 A 122 122 PRO CB C 122 31.680 32.053 -0.373 1
1 1289 . 10 1 1 A 123 123 GLU H H 123 9.336 9.038 0.298 1
1 1290 . 10 1 1 A 123 123 GLU HA H 123 4.169 4.405 -0.236 1
1 1294 . 10 1 1 A 123 123 GLU CA C 123 59.100 59.215 -0.115 1
1 1295 . 10 1 1 A 123 123 GLU CB C 123 27.940 29.012 -1.072 1
1 1297 . 10 1 1 A 123 123 GLU N N 123 115.528 115.912 -0.384 1
1 1298 . 10 1 1 A 124 124 TRP H H 124 8.560 7.638 0.922 1
1 1299 . 10 1 1 A 124 124 TRP HA H 124 4.671 4.475 0.196 1
1 1308 . 10 1 1 A 124 124 TRP CA C 124 57.370 60.305 -2.935 1
1 1309 . 10 1 1 A 124 124 TRP CB C 124 28.310 28.521 -0.211 1
1 1315 . 10 1 1 A 124 124 TRP N N 124 123.431 120.213 3.218 1
1 1317 . 10 1 1 A 125 125 LEU H H 125 7.378 7.567 -0.189 1
1 1318 . 10 1 1 A 125 125 LEU HA H 125 4.065 4.194 -0.129 1
1 1328 . 10 1 1 A 125 125 LEU CA C 125 56.060 56.322 -0.262 1
1 1329 . 10 1 1 A 125 125 LEU CB C 125 41.220 41.706 -0.486 1
1 1333 . 10 1 1 A 125 125 LEU N N 125 113.660 120.713 -7.053 1
1 1334 . 10 1 1 A 126 126 PHE H H 126 7.415 7.246 0.169 1
1 1335 . 10 1 1 A 126 126 PHE HA H 126 4.640 4.485 0.155 1
1 1342 . 10 1 1 A 126 126 PHE CA C 126 56.940 58.971 -2.031 1
1 1343 . 10 1 1 A 126 126 PHE CB C 126 38.670 39.366 -0.696 1
1 1346 . 10 1 1 A 126 126 PHE N N 126 116.360 115.793 0.567 1
1 1347 . 10 1 1 A 127 127 LEU H H 127 7.168 7.315 -0.147 1
1 1348 . 10 1 1 A 127 127 LEU HA H 127 4.529 4.398 0.131 1
1 1358 . 10 1 1 A 127 127 LEU CA C 127 53.580 53.491 0.089 1
1 1359 . 10 1 1 A 127 127 LEU CB C 127 40.832 41.029 -0.197 1
1 1363 . 10 1 1 A 127 127 LEU N N 127 122.990 121.026 1.964 1
1 1364 . 10 1 1 A 128 128 PRO HA H 128 3.986 4.362 -0.376 1
1 1371 . 10 1 1 A 128 128 PRO CA C 128 63.140 62.112 1.028 1
1 1372 . 10 1 1 A 128 128 PRO CB C 128 31.993 32.101 -0.108 1
1 1375 . 10 1 1 A 129 129 TYR H H 129 8.070 8.160 -0.090 1
1 1376 . 10 1 1 A 129 129 TYR HA H 129 5.529 5.224 0.305 1
1 1383 . 10 1 1 A 129 129 TYR CA C 129 52.486 57.691 -5.205 1
1 1384 . 10 1 1 A 129 129 TYR CB C 129 36.760 39.531 -2.771 1
1 1387 . 10 1 1 A 129 129 TYR N N 129 120.100 119.697 0.403 1
1 1388 . 10 1 1 A 130 130 HIS H H 130 9.193 8.863 0.330 1
1 1389 . 10 1 1 A 130 130 HIS HA H 130 4.733 5.154 -0.421 1
1 1393 . 10 1 1 A 130 130 HIS CA C 130 55.920 54.736 1.184 1
1 1394 . 10 1 1 A 130 130 HIS CB C 130 32.908 34.161 -1.253 1
1 1396 . 10 1 1 A 130 130 HIS N N 130 121.985 117.981 4.004 1
1 1397 . 10 1 1 A 131 131 GLU H H 131 9.093 9.210 -0.117 1
1 1398 . 10 1 1 A 131 131 GLU HA H 131 4.277 5.045 -0.768 1
1 1402 . 10 1 1 A 131 131 GLU CA C 131 58.110 57.175 0.935 1
1 1403 . 10 1 1 A 131 131 GLU CB C 131 30.700 31.599 -0.899 1
1 1405 . 10 1 1 A 131 131 GLU N N 131 122.150 120.975 1.175 1
1 1406 . 10 1 1 A 132 132 SER H H 132 7.621 7.972 -0.351 1
1 1407 . 10 1 1 A 132 132 SER HA H 132 4.686 4.845 -0.159 1
1 1410 . 10 1 1 A 132 132 SER CA C 132 56.340 57.648 -1.308 1
1 1411 . 10 1 1 A 132 132 SER CB C 132 65.050 65.429 -0.379 1
1 1412 . 10 1 1 A 132 132 SER N N 132 108.030 113.260 -5.230 1
1 1413 . 10 1 1 A 133 133 TYR H H 133 8.667 8.882 -0.215 1
1 1414 . 10 1 1 A 133 133 TYR HA H 133 4.564 5.326 -0.762 1
1 1419 . 10 1 1 A 133 133 TYR CA C 133 57.910 56.266 1.644 1
1 1420 . 10 1 1 A 133 133 TYR CB C 133 40.720 41.167 -0.447 1
1 1422 . 10 1 1 A 133 133 TYR N N 133 121.977 127.412 -5.435 1
1 1423 . 10 1 1 A 134 134 ASP H H 134 7.303 8.872 -1.569 1
1 1424 . 10 1 1 A 134 134 ASP HA H 134 3.944 5.180 -1.236 1
1 1427 . 10 1 1 A 134 134 ASP CA C 134 52.540 52.424 0.116 1
1 1428 . 10 1 1 A 134 134 ASP CB C 134 42.900 44.103 -1.203 1
1 1429 . 10 1 1 A 134 134 ASP N N 134 127.820 126.688 1.132 1
1 1430 . 10 1 1 A 135 135 SER H H 135 9.392 9.003 0.389 1
1 1431 . 10 1 1 A 135 135 SER HA H 135 3.945 4.177 -0.232 1
1 1434 . 10 1 1 A 135 135 SER CA C 135 61.770 61.539 0.231 1
1 1435 . 10 1 1 A 135 135 SER CB C 135 63.561 62.803 0.758 1
1 1436 . 10 1 1 A 135 135 SER N N 135 127.670 118.005 9.665 1
1 1437 . 10 1 1 A 136 136 GLU H H 136 7.546 7.893 -0.347 1
1 1438 . 10 1 1 A 136 136 GLU HA H 136 4.233 4.436 -0.203 1
1 1443 . 10 1 1 A 136 136 GLU CA C 136 54.796 56.321 -1.525 1
1 1444 . 10 1 1 A 136 136 GLU CB C 136 28.420 28.931 -0.511 1
1 1446 . 10 1 1 A 136 136 GLU N N 136 113.107 117.678 -4.571 1
1 1447 . 10 1 1 A 137 137 GLY H H 137 7.241 8.347 -1.106 1
1 1448 . 10 1 1 A 137 137 GLY HA2 H 137 3.994 4.137 -0.143 1
1 1449 . 10 1 1 A 137 137 GLY HA3 H 137 3.503 4.159 -0.656 1
1 1450 . 10 1 1 A 137 137 GLY CA C 137 44.880 43.695 1.185 1
1 1451 . 10 1 1 A 137 137 GLY N N 137 104.690 108.371 -3.681 1
1 1452 . 10 1 1 A 138 138 PRO HA H 138 4.211 4.276 -0.065 1
1 1459 . 10 1 1 A 138 138 PRO CA C 138 64.830 64.387 0.443 1
1 1460 . 10 1 1 A 138 138 PRO CB C 138 31.180 31.644 -0.464 1
1 1463 . 10 1 1 A 139 139 HIS H H 139 6.414 7.395 -0.981 1
1 1464 . 10 1 1 A 139 139 HIS HA H 139 4.299 4.538 -0.239 1
1 1467 . 10 1 1 A 139 139 HIS CA C 139 55.080 56.846 -1.766 1
1 1468 . 10 1 1 A 139 139 HIS CB C 139 30.260 30.109 0.151 1
1 1470 . 10 1 1 A 139 139 HIS N N 139 116.498 115.889 0.609 1
1 1471 . 10 1 1 A 140 140 GLY H H 140 7.082 8.379 -1.297 1
1 1472 . 10 1 1 A 140 140 GLY HA2 H 140 3.919 3.911 0.008 1
1 1473 . 10 1 1 A 140 140 GLY HA3 H 140 3.721 3.923 -0.202 1
1 1474 . 10 1 1 A 140 140 GLY CA C 140 46.590 45.400 1.190 1
1 1475 . 10 1 1 A 140 140 GLY N N 140 108.485 108.327 0.158 1
1 1476 . 10 1 1 A 141 141 LEU HA H 141 4.451 4.609 -0.158 1
1 1483 . 10 1 1 A 141 141 LEU CA C 141 53.024 53.834 -0.810 1
1 1484 . 10 1 1 A 141 141 LEU CB C 141 39.500 42.423 -2.923 1
1 1487 . 10 1 1 A 142 142 ARG H H 142 7.472 8.821 -1.349 1
1 1488 . 10 1 1 A 142 142 ARG HA H 142 4.724 4.921 -0.197 1
1 1493 . 10 1 1 A 142 142 ARG CA C 142 55.940 54.266 1.674 1
1 1494 . 10 1 1 A 142 142 ARG CB C 142 31.070 32.744 -1.674 1
1 1497 . 10 1 1 A 142 142 ARG N N 142 121.987 125.525 -3.538 1
1 1499 . 10 1 1 A 143 143 TYR H H 143 8.487 8.921 -0.434 1
1 1500 . 10 1 1 A 143 143 TYR HA H 143 4.474 4.624 -0.150 1
1 1507 . 10 1 1 A 143 143 TYR CA C 143 59.015 59.801 -0.786 1
1 1508 . 10 1 1 A 143 143 TYR CB C 143 38.720 39.345 -0.625 1
1 1511 . 10 1 1 A 143 143 TYR N N 143 127.896 123.112 4.784 1
1 1512 . 10 1 1 A 144 144 ASN H H 144 7.805 7.906 -0.101 1
1 1513 . 10 1 1 A 144 144 ASN HA H 144 4.892 5.085 -0.193 1
1 1518 . 10 1 1 A 144 144 ASN CA C 144 50.120 49.372 0.748 1
1 1519 . 10 1 1 A 144 144 ASN CB C 144 39.360 39.464 -0.104 1
1 1520 . 10 1 1 A 144 144 ASN N N 144 125.629 125.854 -0.225 1
1 1522 . 10 1 1 A 145 145 PRO HA H 145 3.975 4.158 -0.183 1
1 1528 . 10 1 1 A 145 145 PRO CA C 145 63.140 64.585 -1.445 1
1 1529 . 10 1 1 A 145 145 PRO CB C 145 32.386 31.994 0.392 1
1 1532 . 10 1 1 A 146 146 ARG H H 146 8.055 7.839 0.216 1
1 1533 . 10 1 1 A 146 146 ARG HA H 146 3.918 4.597 -0.679 1
1 1541 . 10 1 1 A 146 146 ARG CA C 146 56.740 55.096 1.644 1
1 1542 . 10 1 1 A 146 146 ARG CB C 146 30.430 32.299 -1.869 1
1 1545 . 10 1 1 A 146 146 ARG N N 146 120.069 116.410 3.659 1
1 1547 . 10 1 1 A 147 147 GLU H H 147 8.440 7.761 0.679 1
1 1548 . 10 1 1 A 147 147 GLU HA H 147 4.167 4.125 0.042 1
1 1552 . 10 1 1 A 147 147 GLU CA C 147 56.710 58.220 -1.510 1
1 1553 . 10 1 1 A 147 147 GLU CB C 147 30.150 28.159 1.991 1
1 1555 . 10 1 1 A 147 147 GLU N N 147 120.760 118.495 2.265 1
1 1556 . 10 1 1 A 148 148 ASN H H 148 8.363 7.983 0.380 1
1 1557 . 10 1 1 A 148 148 ASN HA H 148 4.652 4.937 -0.285 1
1 1562 . 10 1 1 A 148 148 ASN CA C 148 53.240 52.810 0.430 1
1 1563 . 10 1 1 A 148 148 ASN CB C 148 38.840 39.846 -1.006 1
1 1564 . 10 1 1 A 148 148 ASN N N 148 120.210 117.152 3.058 1
1 1 . 11 1 1 A 2 2 ALA HA H 2 4.182 4.835 -0.653 1
1 5 . 11 1 1 A 2 2 ALA CA C 2 51.510 51.962 -0.452 1
1 6 . 11 1 1 A 2 2 ALA CB C 2 20.090 22.219 -2.129 1
1 7 . 11 1 1 A 3 3 HIS H H 3 9.173 8.652 0.521 1
1 8 . 11 1 1 A 3 3 HIS HA H 3 5.839 5.184 0.655 1
1 12 . 11 1 1 A 3 3 HIS CA C 3 56.960 56.096 0.864 1
1 13 . 11 1 1 A 3 3 HIS CB C 3 32.820 31.157 1.663 1
1 15 . 11 1 1 A 3 3 HIS N N 3 118.801 121.574 -2.773 1
1 16 . 11 1 1 A 4 4 ILE H H 4 9.494 9.216 0.278 1
1 17 . 11 1 1 A 4 4 ILE HA H 4 5.508 5.195 0.313 1
1 27 . 11 1 1 A 4 4 ILE CA C 4 58.300 59.193 -0.893 1
1 28 . 11 1 1 A 4 4 ILE CB C 4 41.930 42.647 -0.717 1
1 32 . 11 1 1 A 4 4 ILE N N 4 118.202 116.769 1.433 1
1 33 . 11 1 1 A 5 5 PHE H H 5 8.815 8.588 0.227 1
1 34 . 11 1 1 A 5 5 PHE HA H 5 5.789 5.309 0.480 1
1 42 . 11 1 1 A 5 5 PHE CA C 5 55.153 56.206 -1.053 1
1 43 . 11 1 1 A 5 5 PHE CB C 5 40.740 43.105 -2.365 1
1 47 . 11 1 1 A 5 5 PHE N N 5 126.107 123.125 2.982 1
1 48 . 11 1 1 A 6 6 VAL H H 6 9.078 7.916 1.162 1
1 49 . 11 1 1 A 6 6 VAL HA H 6 4.357 4.835 -0.478 1
1 57 . 11 1 1 A 6 6 VAL CA C 6 59.157 59.157 0.000 1
1 58 . 11 1 1 A 6 6 VAL CB C 6 33.473 34.211 -0.738 1
1 61 . 11 1 1 A 6 6 VAL N N 6 118.658 123.636 -4.978 1
1 62 . 11 1 1 A 7 7 TYR H H 7 6.878 8.856 -1.978 1
1 63 . 11 1 1 A 7 7 TYR HA H 7 4.170 4.227 -0.057 1
1 66 . 11 1 1 A 7 7 TYR CB C 7 36.608 38.923 -2.315 1
1 67 . 11 1 1 A 7 7 TYR N N 7 116.860 128.210 -11.350 1
1 68 . 11 1 1 A 8 8 GLY HA2 H 8 4.195 3.378 0.817 1
1 69 . 11 1 1 A 8 8 GLY HA3 H 8 2.933 3.662 -0.729 1
1 70 . 11 1 1 A 8 8 GLY CA C 8 46.169 44.582 1.587 1
1 71 . 11 1 1 A 9 9 THR H H 9 7.618 8.001 -0.383 1
1 72 . 11 1 1 A 9 9 THR HA H 9 3.831 3.978 -0.147 1
1 77 . 11 1 1 A 9 9 THR CA C 9 64.570 64.525 0.045 1
1 78 . 11 1 1 A 9 9 THR CB C 9 68.494 68.751 -0.257 1
1 80 . 11 1 1 A 9 9 THR N N 9 115.934 113.456 2.478 1
1 81 . 11 1 1 A 10 10 LEU H H 10 7.561 7.539 0.022 1
1 82 . 11 1 1 A 10 10 LEU HA H 10 3.673 4.353 -0.680 1
1 92 . 11 1 1 A 10 10 LEU CA C 10 55.950 53.223 2.727 1
1 93 . 11 1 1 A 10 10 LEU CB C 10 41.610 42.296 -0.686 1
1 97 . 11 1 1 A 10 10 LEU N N 10 120.151 120.852 -0.701 1
1 98 . 11 1 1 A 11 11 LYS H H 11 6.738 7.764 -1.026 1
1 99 . 11 1 1 A 11 11 LYS HA H 11 4.007 4.562 -0.555 1
1 103 . 11 1 1 A 11 11 LYS CA C 11 57.390 56.703 0.687 1
1 104 . 11 1 1 A 11 11 LYS CB C 11 34.322 33.296 1.026 1
1 106 . 11 1 1 A 11 11 LYS N N 11 116.295 118.502 -2.207 1
1 107 . 11 1 1 A 12 12 ARG H H 12 9.432 8.604 0.828 1
1 108 . 11 1 1 A 12 12 ARG HA H 12 2.029 4.167 -2.138 1
1 115 . 11 1 1 A 12 12 ARG CA C 12 58.420 58.886 -0.466 1
1 116 . 11 1 1 A 12 12 ARG CB C 12 29.190 30.823 -1.633 1
1 119 . 11 1 1 A 12 12 ARG N N 12 120.863 120.686 0.177 1
1 120 . 11 1 1 A 13 13 GLY H H 13 8.048 7.412 0.636 1
1 121 . 11 1 1 A 13 13 GLY HA2 H 13 3.990 4.169 -0.179 1
1 122 . 11 1 1 A 13 13 GLY HA3 H 13 3.538 4.232 -0.694 1
1 123 . 11 1 1 A 13 13 GLY CA C 13 45.490 45.726 -0.236 1
1 124 . 11 1 1 A 13 13 GLY N N 13 111.120 103.988 7.132 1
1 125 . 11 1 1 A 14 14 GLN H H 14 7.904 8.674 -0.770 1
1 126 . 11 1 1 A 14 14 GLN HA H 14 4.682 4.816 -0.134 1
1 133 . 11 1 1 A 14 14 GLN CA C 14 53.440 52.828 0.612 1
1 134 . 11 1 1 A 14 14 GLN CB C 14 27.115 29.519 -2.404 1
1 136 . 11 1 1 A 14 14 GLN N N 14 117.811 124.342 -6.531 1
1 138 . 11 1 1 A 15 15 PRO HA H 15 4.342 4.359 -0.017 1
1 145 . 11 1 1 A 15 15 PRO CA C 15 66.870 64.859 2.011 1
1 146 . 11 1 1 A 15 15 PRO CB C 15 34.060 32.043 2.017 1
1 149 . 11 1 1 A 16 16 ASN H H 16 8.287 8.466 -0.179 1
1 150 . 11 1 1 A 16 16 ASN HA H 16 5.356 4.562 0.794 1
1 155 . 11 1 1 A 16 16 ASN CA C 16 52.230 55.292 -3.062 1
1 156 . 11 1 1 A 16 16 ASN CB C 16 39.030 37.926 1.104 1
1 157 . 11 1 1 A 16 16 ASN N N 16 110.638 115.367 -4.729 1
1 159 . 11 1 1 A 17 17 HIS H H 17 7.819 8.180 -0.361 1
1 160 . 11 1 1 A 17 17 HIS HA H 17 3.815 4.043 -0.228 1
1 164 . 11 1 1 A 17 17 HIS CA C 17 60.140 59.714 0.426 1
1 165 . 11 1 1 A 17 17 HIS CB C 17 27.680 29.761 -2.081 1
1 167 . 11 1 1 A 17 17 HIS N N 17 121.058 120.868 0.190 1
1 168 . 11 1 1 A 18 18 LYS H H 18 8.326 8.171 0.155 1
1 169 . 11 1 1 A 18 18 LYS HA H 18 3.695 4.064 -0.369 1
1 175 . 11 1 1 A 18 18 LYS CA C 18 58.890 58.867 0.023 1
1 176 . 11 1 1 A 18 18 LYS CB C 18 31.070 31.488 -0.418 1
1 180 . 11 1 1 A 18 18 LYS N N 18 112.812 117.579 -4.767 1
1 181 . 11 1 1 A 19 19 VAL H H 19 7.373 8.259 -0.886 1
1 182 . 11 1 1 A 19 19 VAL HA H 19 3.816 3.843 -0.027 1
1 190 . 11 1 1 A 19 19 VAL CA C 19 64.960 65.751 -0.791 1
1 191 . 11 1 1 A 19 19 VAL CB C 19 30.960 31.091 -0.131 1
1 194 . 11 1 1 A 19 19 VAL N N 19 117.691 119.283 -1.592 1
1 195 . 11 1 1 A 20 20 MET H H 20 7.329 7.886 -0.557 1
1 196 . 11 1 1 A 20 20 MET HA H 20 3.951 4.272 -0.321 1
1 204 . 11 1 1 A 20 20 MET CA C 20 55.560 57.070 -1.510 1
1 205 . 11 1 1 A 20 20 MET CB C 20 31.460 32.177 -0.717 1
1 208 . 11 1 1 A 20 20 MET N N 20 114.870 118.164 -3.294 1
1 209 . 11 1 1 A 21 21 LEU H H 21 6.718 7.776 -1.058 1
1 210 . 11 1 1 A 21 21 LEU HA H 21 4.091 4.402 -0.311 1
1 220 . 11 1 1 A 21 21 LEU CA C 21 54.140 54.773 -0.633 1
1 221 . 11 1 1 A 21 21 LEU CB C 21 42.310 41.757 0.553 1
1 225 . 11 1 1 A 21 21 LEU N N 21 116.021 118.173 -2.152 1
1 226 . 11 1 1 A 22 22 ASP H H 22 6.399 7.596 -1.197 1
1 227 . 11 1 1 A 22 22 ASP HA H 22 4.288 4.778 -0.490 1
1 229 . 11 1 1 A 22 22 ASP CA C 22 52.776 53.322 -0.546 1
1 230 . 11 1 1 A 22 22 ASP CB C 22 40.180 40.524 -0.344 1
1 231 . 11 1 1 A 22 22 ASP N N 22 117.972 120.113 -2.141 1
1 232 . 11 1 1 A 23 23 HIS H H 23 8.601 8.778 -0.177 1
1 233 . 11 1 1 A 23 23 HIS HA H 23 4.848 4.138 0.710 1
1 237 . 11 1 1 A 23 23 HIS CA C 23 55.800 59.272 -3.472 1
1 238 . 11 1 1 A 23 23 HIS CB C 23 27.860 30.140 -2.280 1
1 240 . 11 1 1 A 23 23 HIS N N 23 123.395 125.999 -2.604 1
1 241 . 11 1 1 A 24 24 SER H H 24 8.526 8.074 0.452 1
1 242 . 11 1 1 A 24 24 SER HA H 24 4.105 3.961 0.144 1
1 244 . 11 1 1 A 24 24 SER CA C 24 60.870 61.877 -1.007 1
1 245 . 11 1 1 A 24 24 SER CB C 24 62.510 63.079 -0.569 1
1 246 . 11 1 1 A 24 24 SER N N 24 117.035 115.034 2.001 1
1 247 . 11 1 1 A 25 25 HIS H H 25 7.450 7.834 -0.384 1
1 248 . 11 1 1 A 25 25 HIS HA H 25 4.494 4.352 0.142 1
1 252 . 11 1 1 A 25 25 HIS CA C 25 53.900 56.021 -2.121 1
1 253 . 11 1 1 A 25 25 HIS CB C 25 28.320 29.630 -1.310 1
1 255 . 11 1 1 A 25 25 HIS N N 25 117.560 117.345 0.215 1
1 256 . 11 1 1 A 26 26 GLY H H 26 6.926 7.307 -0.381 1
1 257 . 11 1 1 A 26 26 GLY HA2 H 26 3.587 3.847 -0.260 1
1 258 . 11 1 1 A 26 26 GLY HA3 H 26 4.362 3.948 0.414 1
1 259 . 11 1 1 A 26 26 GLY CA C 26 43.730 43.695 0.035 1
1 260 . 11 1 1 A 26 26 GLY N N 26 103.120 106.648 -3.528 1
1 261 . 11 1 1 A 27 27 LEU H H 27 8.579 8.806 -0.227 1
1 262 . 11 1 1 A 27 27 LEU HA H 27 4.327 4.888 -0.561 1
1 271 . 11 1 1 A 27 27 LEU CA C 27 54.520 54.171 0.349 1
1 272 . 11 1 1 A 27 27 LEU CB C 27 44.250 43.687 0.563 1
1 276 . 11 1 1 A 27 27 LEU N N 27 121.940 121.641 0.299 1
1 277 . 11 1 1 A 28 28 ALA H H 28 7.776 8.707 -0.931 1
1 278 . 11 1 1 A 28 28 ALA HA H 28 5.231 5.383 -0.152 1
1 282 . 11 1 1 A 28 28 ALA CA C 28 50.990 51.136 -0.146 1
1 283 . 11 1 1 A 28 28 ALA CB C 28 22.580 22.417 0.163 1
1 284 . 11 1 1 A 28 28 ALA N N 28 123.020 128.682 -5.662 1
1 285 . 11 1 1 A 29 29 ALA H H 29 9.231 9.045 0.186 1
1 286 . 11 1 1 A 29 29 ALA HA H 29 4.857 5.298 -0.441 1
1 290 . 11 1 1 A 29 29 ALA CA C 29 50.661 50.676 -0.015 1
1 291 . 11 1 1 A 29 29 ALA CB C 29 21.140 22.436 -1.296 1
1 292 . 11 1 1 A 29 29 ALA N N 29 125.760 124.384 1.376 1
1 293 . 11 1 1 A 30 30 PHE H H 30 9.083 9.185 -0.102 1
1 294 . 11 1 1 A 30 30 PHE HA H 30 3.397 4.200 -0.803 1
1 301 . 11 1 1 A 30 30 PHE CA C 30 59.895 58.719 1.176 1
1 302 . 11 1 1 A 30 30 PHE CB C 30 38.810 39.281 -0.471 1
1 305 . 11 1 1 A 30 30 PHE N N 30 126.590 125.714 0.876 1
1 306 . 11 1 1 A 31 31 ARG H H 31 8.102 8.650 -0.548 1
1 307 . 11 1 1 A 31 31 ARG HA H 31 3.941 4.410 -0.469 1
1 314 . 11 1 1 A 31 31 ARG CA C 31 53.120 54.427 -1.307 1
1 315 . 11 1 1 A 31 31 ARG CB C 31 31.665 30.729 0.936 1
1 318 . 11 1 1 A 31 31 ARG N N 31 125.007 127.788 -2.781 1
1 320 . 11 1 1 A 32 32 GLY H H 32 5.465 8.553 -3.088 1
1 321 . 11 1 1 A 32 32 GLY HA2 H 32 3.264 3.959 -0.695 1
1 322 . 11 1 1 A 32 32 GLY HA3 H 32 4.670 4.081 0.589 1
1 323 . 11 1 1 A 32 32 GLY CA C 32 45.150 44.733 0.417 1
1 324 . 11 1 1 A 32 32 GLY N N 32 101.400 114.869 -13.469 1
1 325 . 11 1 1 A 33 33 ARG H H 33 8.345 8.552 -0.207 1
1 326 . 11 1 1 A 33 33 ARG HA H 33 5.158 5.152 0.006 1
1 332 . 11 1 1 A 33 33 ARG CA C 33 54.924 54.488 0.436 1
1 333 . 11 1 1 A 33 33 ARG CB C 33 34.180 34.543 -0.363 1
1 336 . 11 1 1 A 33 33 ARG N N 33 116.822 119.814 -2.992 1
1 338 . 11 1 1 A 34 34 GLY H H 34 8.549 8.515 0.034 1
1 339 . 11 1 1 A 34 34 GLY HA2 H 34 5.154 4.421 0.733 1
1 340 . 11 1 1 A 34 34 GLY HA3 H 34 3.752 4.487 -0.735 1
1 341 . 11 1 1 A 34 34 GLY CA C 34 45.620 45.858 -0.238 1
1 342 . 11 1 1 A 34 34 GLY N N 34 107.400 107.991 -0.591 1
1 343 . 11 1 1 A 35 35 CYS H H 35 8.803 8.106 0.697 1
1 344 . 11 1 1 A 35 35 CYS HA H 35 5.893 5.684 0.209 1
1 347 . 11 1 1 A 35 35 CYS CA C 35 55.420 57.421 -2.001 1
1 348 . 11 1 1 A 35 35 CYS CB C 35 30.960 31.104 -0.144 1
1 349 . 11 1 1 A 35 35 CYS N N 35 117.781 117.461 0.320 1
1 350 . 11 1 1 A 36 36 THR H H 36 9.033 8.777 0.256 1
1 351 . 11 1 1 A 36 36 THR HA H 36 3.835 4.409 -0.574 1
1 356 . 11 1 1 A 36 36 THR CA C 36 64.160 61.374 2.786 1
1 357 . 11 1 1 A 36 36 THR CB C 36 68.200 68.371 -0.171 1
1 359 . 11 1 1 A 36 36 THR N N 36 117.973 114.565 3.408 1
1 360 . 11 1 1 A 37 37 VAL H H 37 7.545 8.446 -0.901 1
1 361 . 11 1 1 A 37 37 VAL HA H 37 3.709 3.713 -0.004 1
1 369 . 11 1 1 A 37 37 VAL CA C 37 65.740 65.295 0.445 1
1 370 . 11 1 1 A 37 37 VAL CB C 37 32.410 31.417 0.993 1
1 373 . 11 1 1 A 37 37 VAL N N 37 121.706 122.480 -0.774 1
1 374 . 11 1 1 A 38 38 GLU H H 38 8.540 7.834 0.706 1
1 375 . 11 1 1 A 38 38 GLU HA H 38 4.264 4.102 0.162 1
1 380 . 11 1 1 A 38 38 GLU CA C 38 54.260 56.608 -2.348 1
1 381 . 11 1 1 A 38 38 GLU CB C 38 30.770 29.863 0.907 1
1 383 . 11 1 1 A 38 38 GLU N N 38 119.219 123.765 -4.546 1
1 384 . 11 1 1 A 39 39 SER H H 39 8.692 8.239 0.453 1
1 385 . 11 1 1 A 39 39 SER HA H 39 4.035 4.473 -0.438 1
1 388 . 11 1 1 A 39 39 SER CA C 39 57.370 59.497 -2.127 1
1 389 . 11 1 1 A 39 39 SER CB C 39 63.760 63.498 0.262 1
1 390 . 11 1 1 A 39 39 SER N N 39 118.941 119.637 -0.696 1
1 391 . 11 1 1 A 40 40 PHE H H 40 8.302 8.817 -0.515 1
1 392 . 11 1 1 A 40 40 PHE HA H 40 4.986 4.972 0.014 1
1 400 . 11 1 1 A 40 40 PHE CA C 40 57.320 55.607 1.713 1
1 401 . 11 1 1 A 40 40 PHE CB C 40 44.292 42.614 1.678 1
1 405 . 11 1 1 A 40 40 PHE N N 40 119.300 122.216 -2.916 1
1 406 . 11 1 1 A 41 41 PRO HA H 41 3.828 4.435 -0.607 1
1 413 . 11 1 1 A 41 41 PRO CA C 41 62.270 62.523 -0.253 1
1 414 . 11 1 1 A 41 41 PRO CB C 41 30.790 31.607 -0.817 1
1 417 . 11 1 1 A 42 42 LEU H H 42 7.964 8.648 -0.684 1
1 418 . 11 1 1 A 42 42 LEU HA H 42 5.352 5.183 0.169 1
1 427 . 11 1 1 A 42 42 LEU CA C 42 53.830 53.405 0.425 1
1 428 . 11 1 1 A 42 42 LEU CB C 42 42.380 44.027 -1.647 1
1 431 . 11 1 1 A 42 42 LEU N N 42 129.948 124.510 5.438 1
1 432 . 11 1 1 A 43 43 VAL H H 43 8.607 8.811 -0.204 1
1 433 . 11 1 1 A 43 43 VAL HA H 43 5.296 4.959 0.337 1
1 441 . 11 1 1 A 43 43 VAL CA C 43 58.040 59.279 -1.239 1
1 442 . 11 1 1 A 43 43 VAL CB C 43 35.220 35.830 -0.610 1
1 445 . 11 1 1 A 43 43 VAL N N 43 117.190 122.341 -5.151 1
1 446 . 11 1 1 A 44 44 ILE H H 44 9.056 8.660 0.396 1
1 447 . 11 1 1 A 44 44 ILE HA H 44 4.426 4.852 -0.426 1
1 457 . 11 1 1 A 44 44 ILE CA C 44 61.156 60.094 1.062 1
1 458 . 11 1 1 A 44 44 ILE CB C 44 38.544 38.910 -0.366 1
1 462 . 11 1 1 A 44 44 ILE N N 44 122.963 124.579 -1.616 1
1 463 . 11 1 1 A 45 45 ALA H H 45 8.701 8.519 0.182 1
1 464 . 11 1 1 A 45 45 ALA HA H 45 4.626 4.649 -0.023 1
1 468 . 11 1 1 A 45 45 ALA CA C 45 51.430 50.791 0.639 1
1 469 . 11 1 1 A 45 45 ALA CB C 45 21.670 20.811 0.859 1
1 470 . 11 1 1 A 45 45 ALA N N 45 126.347 127.890 -1.543 1
1 471 . 11 1 1 A 46 46 GLY H H 46 8.486 8.701 -0.215 1
1 472 . 11 1 1 A 46 46 GLY HA2 H 46 4.587 4.207 0.380 1
1 473 . 11 1 1 A 46 46 GLY HA3 H 46 4.084 4.237 -0.153 1
1 474 . 11 1 1 A 46 46 GLY CA C 46 44.500 45.047 -0.547 1
1 475 . 11 1 1 A 46 46 GLY N N 46 108.262 106.507 1.755 1
1 476 . 11 1 1 A 47 47 GLU H H 47 8.938 8.793 0.145 1
1 477 . 11 1 1 A 47 47 GLU HA H 47 4.003 4.351 -0.348 1
1 480 . 11 1 1 A 47 47 GLU CA C 47 58.820 57.134 1.686 1
1 481 . 11 1 1 A 47 47 GLU CB C 47 29.500 30.382 -0.882 1
1 482 . 11 1 1 A 47 47 GLU N N 47 118.010 121.014 -3.004 1
1 483 . 11 1 1 A 48 48 HIS H H 48 8.742 7.883 0.859 1
1 484 . 11 1 1 A 48 48 HIS HA H 48 4.704 4.644 0.060 1
1 488 . 11 1 1 A 48 48 HIS CA C 48 55.130 55.590 -0.460 1
1 489 . 11 1 1 A 48 48 HIS CB C 48 29.110 30.375 -1.265 1
1 491 . 11 1 1 A 48 48 HIS N N 48 115.306 115.414 -0.108 1
1 492 . 11 1 1 A 49 49 ASN H H 49 7.810 7.661 0.149 1
1 493 . 11 1 1 A 49 49 ASN HA H 49 3.878 4.210 -0.332 1
1 498 . 11 1 1 A 49 49 ASN CA C 49 53.876 54.118 -0.242 1
1 499 . 11 1 1 A 49 49 ASN CB C 49 36.030 36.842 -0.812 1
1 500 . 11 1 1 A 49 49 ASN N N 49 114.919 113.912 1.007 1
1 502 . 11 1 1 A 50 50 ILE H H 50 7.046 8.222 -1.176 1
1 503 . 11 1 1 A 50 50 ILE HA H 50 4.022 4.479 -0.457 1
1 513 . 11 1 1 A 50 50 ILE CA C 50 59.430 58.018 1.412 1
1 514 . 11 1 1 A 50 50 ILE CB C 50 41.326 38.499 2.827 1
1 518 . 11 1 1 A 50 50 ILE N N 50 120.995 119.762 1.233 1
1 519 . 11 1 1 A 51 51 PRO HA H 51 5.194 4.457 0.737 1
1 521 . 11 1 1 A 51 51 PRO CA C 51 60.560 63.111 -2.551 1
1 522 . 11 1 1 A 51 51 PRO CB C 51 31.841 32.251 -0.410 1
1 523 . 11 1 1 A 52 52 TRP H H 52 9.564 8.903 0.661 1
1 524 . 11 1 1 A 52 52 TRP HA H 52 4.805 5.286 -0.481 1
1 532 . 11 1 1 A 52 52 TRP CA C 52 56.550 55.762 0.788 1
1 533 . 11 1 1 A 52 52 TRP CB C 52 32.300 32.502 -0.202 1
1 539 . 11 1 1 A 52 52 TRP N N 52 123.070 123.514 -0.444 1
1 541 . 11 1 1 A 53 53 LEU H H 53 7.227 8.981 -1.754 1
1 542 . 11 1 1 A 53 53 LEU HA H 53 4.863 5.277 -0.414 1
1 552 . 11 1 1 A 53 53 LEU CA C 53 53.790 54.017 -0.227 1
1 553 . 11 1 1 A 53 53 LEU CB C 53 42.250 43.809 -1.559 1
1 557 . 11 1 1 A 53 53 LEU N N 53 124.700 125.978 -1.278 1
1 558 . 11 1 1 A 54 54 LEU H H 54 9.021 8.550 0.471 1
1 559 . 11 1 1 A 54 54 LEU HA H 54 4.618 4.481 0.137 1
1 569 . 11 1 1 A 54 54 LEU CA C 54 54.030 54.911 -0.881 1
1 570 . 11 1 1 A 54 54 LEU CB C 54 40.360 42.174 -1.814 1
1 574 . 11 1 1 A 54 54 LEU N N 54 126.893 128.348 -1.455 1
1 575 . 11 1 1 A 55 55 TYR H H 55 8.884 9.029 -0.145 1
1 576 . 11 1 1 A 55 55 TYR HA H 55 4.562 4.695 -0.133 1
1 583 . 11 1 1 A 55 55 TYR CA C 55 58.420 56.585 1.835 1
1 584 . 11 1 1 A 55 55 TYR CB C 55 36.180 37.466 -1.286 1
1 587 . 11 1 1 A 55 55 TYR N N 55 123.430 125.519 -2.089 1
1 588 . 11 1 1 A 56 56 LEU H H 56 8.192 8.861 -0.669 1
1 589 . 11 1 1 A 56 56 LEU HA H 56 4.530 4.983 -0.453 1
1 598 . 11 1 1 A 56 56 LEU CA C 56 51.720 51.741 -0.021 1
1 599 . 11 1 1 A 56 56 LEU CB C 56 43.260 43.618 -0.358 1
1 602 . 11 1 1 A 56 56 LEU N N 56 130.832 127.989 2.843 1
1 603 . 11 1 1 A 57 57 PRO HA H 57 3.779 3.545 0.234 1
1 610 . 11 1 1 A 57 57 PRO CA C 57 62.240 63.443 -1.203 1
1 611 . 11 1 1 A 57 57 PRO CB C 57 31.130 31.521 -0.391 1
1 614 . 11 1 1 A 58 58 GLY H H 58 8.908 8.329 0.579 1
1 615 . 11 1 1 A 58 58 GLY HA2 H 58 4.027 3.813 0.214 1
1 616 . 11 1 1 A 58 58 GLY HA3 H 58 3.433 3.838 -0.405 1
1 617 . 11 1 1 A 58 58 GLY CA C 58 44.860 45.355 -0.495 1
1 618 . 11 1 1 A 58 58 GLY N N 58 112.351 110.842 1.509 1
1 619 . 11 1 1 A 59 59 LYS H H 59 7.214 7.153 0.061 1
1 620 . 11 1 1 A 59 59 LYS HA H 59 4.386 4.816 -0.430 1
1 629 . 11 1 1 A 59 59 LYS CA C 59 53.760 55.179 -1.419 1
1 630 . 11 1 1 A 59 59 LYS CB C 59 34.590 34.997 -0.407 1
1 634 . 11 1 1 A 59 59 LYS N N 59 121.458 121.260 0.198 1
1 635 . 11 1 1 A 60 60 GLY H H 60 8.312 8.021 0.291 1
1 636 . 11 1 1 A 60 60 GLY HA2 H 60 3.379 3.073 0.306 1
1 637 . 11 1 1 A 60 60 GLY HA3 H 60 3.229 3.439 -0.210 1
1 638 . 11 1 1 A 60 60 GLY CA C 60 45.350 43.525 1.825 1
1 639 . 11 1 1 A 60 60 GLY N N 60 103.990 112.955 -8.965 1
1 640 . 11 1 1 A 61 61 HIS H H 61 7.880 8.039 -0.159 1
1 641 . 11 1 1 A 61 61 HIS HA H 61 4.868 5.362 -0.494 1
1 645 . 11 1 1 A 61 61 HIS CA C 61 53.920 54.753 -0.833 1
1 646 . 11 1 1 A 61 61 HIS CB C 61 33.020 34.259 -1.239 1
1 648 . 11 1 1 A 61 61 HIS N N 61 121.221 119.144 2.077 1
1 649 . 11 1 1 A 62 62 CYS H H 62 8.760 8.553 0.207 1
1 650 . 11 1 1 A 62 62 CYS HA H 62 4.248 4.958 -0.710 1
1 653 . 11 1 1 A 62 62 CYS CA C 62 61.730 57.771 3.959 1
1 654 . 11 1 1 A 62 62 CYS CB C 62 26.560 27.552 -0.992 1
1 655 . 11 1 1 A 62 62 CYS N N 62 121.842 120.692 1.150 1
1 656 . 11 1 1 A 63 63 VAL H H 63 8.109 8.886 -0.777 1
1 657 . 11 1 1 A 63 63 VAL HA H 63 4.869 4.562 0.307 1
1 665 . 11 1 1 A 63 63 VAL CA C 63 62.210 62.911 -0.701 1
1 666 . 11 1 1 A 63 63 VAL CB C 63 34.780 31.689 3.091 1
1 669 . 11 1 1 A 63 63 VAL N N 63 127.029 126.732 0.297 1
1 670 . 11 1 1 A 64 64 THR H H 64 8.453 9.004 -0.551 1
1 671 . 11 1 1 A 64 64 THR HA H 64 5.349 5.290 0.059 1
1 676 . 11 1 1 A 64 64 THR CA C 64 61.100 60.458 0.642 1
1 677 . 11 1 1 A 64 64 THR CB C 64 70.790 71.001 -0.211 1
1 679 . 11 1 1 A 64 64 THR N N 64 116.830 118.777 -1.947 1
1 680 . 11 1 1 A 65 65 GLY H H 65 8.663 8.520 0.143 1
1 681 . 11 1 1 A 65 65 GLY HA2 H 65 4.085 3.803 0.282 1
1 682 . 11 1 1 A 65 65 GLY HA3 H 65 3.480 4.123 -0.643 1
1 683 . 11 1 1 A 65 65 GLY CA C 65 46.570 46.023 0.547 1
1 684 . 11 1 1 A 65 65 GLY N N 65 107.680 108.788 -1.108 1
1 685 . 11 1 1 A 66 66 GLU H H 66 8.574 8.416 0.158 1
1 686 . 11 1 1 A 66 66 GLU HA H 66 5.150 4.903 0.247 1
1 689 . 11 1 1 A 66 66 GLU CA C 66 54.450 54.151 0.299 1
1 690 . 11 1 1 A 66 66 GLU CB C 66 37.328 32.638 4.690 1
1 691 . 11 1 1 A 66 66 GLU N N 66 120.921 117.757 3.164 1
1 692 . 11 1 1 A 67 67 ILE H H 67 8.623 8.239 0.384 1
1 693 . 11 1 1 A 67 67 ILE HA H 67 5.149 4.893 0.256 1
1 703 . 11 1 1 A 67 67 ILE CA C 67 60.180 60.193 -0.013 1
1 704 . 11 1 1 A 67 67 ILE CB C 67 40.210 40.282 -0.072 1
1 708 . 11 1 1 A 67 67 ILE N N 67 121.340 120.535 0.805 1
1 709 . 11 1 1 A 68 68 TYR H H 68 9.196 8.945 0.251 1
1 710 . 11 1 1 A 68 68 TYR HA H 68 5.001 4.917 0.084 1
1 717 . 11 1 1 A 68 68 TYR CA C 68 56.270 57.824 -1.554 1
1 718 . 11 1 1 A 68 68 TYR CB C 68 41.480 39.584 1.896 1
1 721 . 11 1 1 A 68 68 TYR N N 68 123.650 126.637 -2.987 1
1 722 . 11 1 1 A 69 69 GLU H H 69 9.302 9.216 0.086 1
1 723 . 11 1 1 A 69 69 GLU HA H 69 5.066 4.462 0.604 1
1 728 . 11 1 1 A 69 69 GLU CA C 69 55.180 56.930 -1.750 1
1 729 . 11 1 1 A 69 69 GLU CB C 69 31.420 30.634 0.786 1
1 731 . 11 1 1 A 69 69 GLU N N 69 124.090 124.855 -0.765 1
1 732 . 11 1 1 A 70 70 VAL H H 70 8.908 8.481 0.427 1
1 733 . 11 1 1 A 70 70 VAL HA H 70 5.556 5.154 0.402 1
1 741 . 11 1 1 A 70 70 VAL CA C 70 57.780 58.717 -0.937 1
1 742 . 11 1 1 A 70 70 VAL CB C 70 35.400 35.730 -0.330 1
1 745 . 11 1 1 A 70 70 VAL N N 70 119.540 119.573 -0.033 1
1 746 . 11 1 1 A 71 71 ASP H H 71 7.939 8.086 -0.147 1
1 747 . 11 1 1 A 71 71 ASP HA H 71 4.909 4.920 -0.011 1
1 750 . 11 1 1 A 71 71 ASP CA C 71 51.240 51.807 -0.567 1
1 751 . 11 1 1 A 71 71 ASP CB C 71 42.210 42.084 0.126 1
1 752 . 11 1 1 A 71 71 ASP N N 71 120.720 122.260 -1.540 1
1 753 . 11 1 1 A 72 72 GLU H H 72 8.364 8.734 -0.370 1
1 754 . 11 1 1 A 72 72 GLU HA H 72 3.869 3.952 -0.083 1
1 757 . 11 1 1 A 72 72 GLU CA C 72 59.775 59.419 0.356 1
1 758 . 11 1 1 A 72 72 GLU CB C 72 29.140 29.669 -0.529 1
1 760 . 11 1 1 A 72 72 GLU N N 72 117.910 118.312 -0.402 1
1 761 . 11 1 1 A 73 73 GLN H H 73 7.960 8.565 -0.605 1
1 762 . 11 1 1 A 73 73 GLN HA H 73 3.899 3.999 -0.100 1
1 767 . 11 1 1 A 73 73 GLN CA C 73 59.570 59.277 0.293 1
1 768 . 11 1 1 A 73 73 GLN CB C 73 27.810 28.423 -0.613 1
1 770 . 11 1 1 A 73 73 GLN N N 73 119.617 118.803 0.814 1
1 772 . 11 1 1 A 74 74 MET H H 74 8.489 8.176 0.313 1
1 773 . 11 1 1 A 74 74 MET HA H 74 4.766 4.298 0.468 1
1 780 . 11 1 1 A 74 74 MET CA C 74 56.790 58.455 -1.665 1
1 781 . 11 1 1 A 74 74 MET CB C 74 31.900 32.510 -0.610 1
1 784 . 11 1 1 A 74 74 MET N N 74 121.800 119.597 2.203 1
1 785 . 11 1 1 A 75 75 LEU H H 75 8.162 8.437 -0.275 1
1 786 . 11 1 1 A 75 75 LEU HA H 75 3.897 4.044 -0.147 1
1 796 . 11 1 1 A 75 75 LEU CA C 75 58.230 57.839 0.391 1
1 797 . 11 1 1 A 75 75 LEU CB C 75 42.160 40.947 1.213 1
1 801 . 11 1 1 A 75 75 LEU N N 75 120.230 120.379 -0.149 1
1 802 . 11 1 1 A 76 76 ARG H H 76 7.824 8.238 -0.414 1
1 803 . 11 1 1 A 76 76 ARG HA H 76 3.952 3.975 -0.023 1
1 811 . 11 1 1 A 76 76 ARG CA C 76 59.270 59.468 -0.198 1
1 812 . 11 1 1 A 76 76 ARG CB C 76 29.930 30.114 -0.184 1
1 815 . 11 1 1 A 76 76 ARG N N 76 116.540 119.711 -3.171 1
1 817 . 11 1 1 A 77 77 PHE H H 77 8.137 8.278 -0.141 1
1 818 . 11 1 1 A 77 77 PHE HA H 77 4.085 4.176 -0.091 1
1 825 . 11 1 1 A 77 77 PHE CA C 77 61.980 61.296 0.684 1
1 826 . 11 1 1 A 77 77 PHE CB C 77 38.530 39.017 -0.487 1
1 829 . 11 1 1 A 77 77 PHE N N 77 120.650 121.037 -0.387 1
1 830 . 11 1 1 A 78 78 LEU H H 78 9.071 8.389 0.682 1
1 831 . 11 1 1 A 78 78 LEU HA H 78 3.629 3.325 0.304 1
1 841 . 11 1 1 A 78 78 LEU CA C 78 57.730 57.694 0.036 1
1 842 . 11 1 1 A 78 78 LEU CB C 78 41.420 41.139 0.281 1
1 846 . 11 1 1 A 78 78 LEU N N 78 122.360 119.555 2.805 1
1 847 . 11 1 1 A 79 79 ASP H H 79 8.506 7.586 0.920 1
1 848 . 11 1 1 A 79 79 ASP HA H 79 4.320 4.550 -0.230 1
1 851 . 11 1 1 A 79 79 ASP CA C 79 57.190 56.147 1.043 1
1 852 . 11 1 1 A 79 79 ASP CB C 79 39.420 40.492 -1.072 1
1 853 . 11 1 1 A 79 79 ASP N N 79 120.070 118.312 1.758 1
1 854 . 11 1 1 A 80 80 ASP H H 80 7.154 8.224 -1.070 1
1 855 . 11 1 1 A 80 80 ASP HA H 80 4.501 4.874 -0.373 1
1 858 . 11 1 1 A 80 80 ASP CA C 80 56.700 53.153 3.547 1
1 859 . 11 1 1 A 80 80 ASP CB C 80 40.660 41.896 -1.236 1
1 860 . 11 1 1 A 80 80 ASP N N 80 118.890 120.258 -1.368 1
1 861 . 11 1 1 A 81 81 PHE H H 81 8.791 7.882 0.909 1
1 862 . 11 1 1 A 81 81 PHE HA H 81 3.659 4.105 -0.446 1
1 867 . 11 1 1 A 81 81 PHE CA C 81 61.640 60.529 1.111 1
1 868 . 11 1 1 A 81 81 PHE CB C 81 40.210 39.302 0.908 1
1 870 . 11 1 1 A 81 81 PHE N N 81 125.745 120.418 5.327 1
1 871 . 11 1 1 A 82 82 GLU H H 82 8.209 7.456 0.753 1
1 872 . 11 1 1 A 82 82 GLU HA H 82 3.956 3.979 -0.023 1
1 875 . 11 1 1 A 82 82 GLU CA C 82 55.060 56.022 -0.962 1
1 876 . 11 1 1 A 82 82 GLU CB C 82 28.910 29.146 -0.236 1
1 878 . 11 1 1 A 82 82 GLU N N 82 115.707 116.817 -1.110 1
1 879 . 11 1 1 A 83 83 ASP H H 83 7.615 7.964 -0.349 1
1 880 . 11 1 1 A 83 83 ASP HA H 83 4.236 4.174 0.062 1
1 883 . 11 1 1 A 83 83 ASP CA C 83 54.370 55.404 -1.034 1
1 884 . 11 1 1 A 83 83 ASP CB C 83 39.400 39.976 -0.576 1
1 885 . 11 1 1 A 83 83 ASP N N 83 116.517 118.944 -2.427 1
1 886 . 11 1 1 A 84 84 CYS H H 84 8.361 7.764 0.597 1
1 887 . 11 1 1 A 84 84 CYS HA H 84 5.522 4.940 0.582 1
1 890 . 11 1 1 A 84 84 CYS CA C 84 56.617 57.879 -1.262 1
1 891 . 11 1 1 A 84 84 CYS CB C 84 27.651 27.389 0.262 1
1 892 . 11 1 1 A 84 84 CYS N N 84 119.420 117.253 2.167 1
1 893 . 11 1 1 A 85 85 PRO HA H 85 5.704 4.769 0.935 1
1 900 . 11 1 1 A 85 85 PRO CA C 85 64.355 64.156 0.199 1
1 901 . 11 1 1 A 85 85 PRO CB C 85 33.190 32.095 1.095 1
1 904 . 11 1 1 A 86 86 SER H H 86 8.389 8.374 0.015 1
1 905 . 11 1 1 A 86 86 SER HA H 86 4.175 4.236 -0.061 1
1 907 . 11 1 1 A 86 86 SER CA C 86 62.130 61.831 0.299 1
1 908 . 11 1 1 A 86 86 SER CB C 86 63.080 62.824 0.256 1
1 909 . 11 1 1 A 86 86 SER N N 86 122.195 114.294 7.901 1
1 910 . 11 1 1 A 87 87 MET H H 87 8.576 8.639 -0.063 1
1 911 . 11 1 1 A 87 87 MET HA H 87 4.475 4.417 0.058 1
1 918 . 11 1 1 A 87 87 MET CA C 87 57.520 58.528 -1.008 1
1 919 . 11 1 1 A 87 87 MET CB C 87 33.210 34.516 -1.306 1
1 922 . 11 1 1 A 87 87 MET N N 87 121.299 119.485 1.814 1
1 923 . 11 1 1 A 88 88 TYR H H 88 6.778 8.191 -1.413 1
1 924 . 11 1 1 A 88 88 TYR HA H 88 5.023 5.476 -0.453 1
1 931 . 11 1 1 A 88 88 TYR CA C 88 56.300 56.977 -0.677 1
1 932 . 11 1 1 A 88 88 TYR CB C 88 42.530 41.962 0.568 1
1 935 . 11 1 1 A 88 88 TYR N N 88 113.420 115.059 -1.639 1
1 936 . 11 1 1 A 89 89 GLN H H 89 9.567 9.306 0.261 1
1 937 . 11 1 1 A 89 89 GLN HA H 89 4.857 5.205 -0.348 1
1 944 . 11 1 1 A 89 89 GLN CA C 89 55.870 53.885 1.985 1
1 945 . 11 1 1 A 89 89 GLN CB C 89 30.430 32.943 -2.513 1
1 947 . 11 1 1 A 89 89 GLN N N 89 115.440 119.333 -3.893 1
1 949 . 11 1 1 A 90 90 ARG H H 90 8.772 8.522 0.250 1
1 950 . 11 1 1 A 90 90 ARG HA H 90 4.499 4.138 0.361 1
1 958 . 11 1 1 A 90 90 ARG CA C 90 56.620 55.810 0.810 1
1 959 . 11 1 1 A 90 90 ARG CB C 90 29.020 30.865 -1.845 1
1 962 . 11 1 1 A 90 90 ARG N N 90 123.860 122.271 1.589 1
1 964 . 11 1 1 A 91 91 THR H H 91 9.217 8.553 0.664 1
1 965 . 11 1 1 A 91 91 THR HA H 91 4.518 4.787 -0.269 1
1 970 . 11 1 1 A 91 91 THR CA C 91 60.570 60.789 -0.219 1
1 971 . 11 1 1 A 91 91 THR CB C 91 71.050 72.666 -1.616 1
1 973 . 11 1 1 A 91 91 THR N N 91 125.064 119.542 5.522 1
1 974 . 11 1 1 A 92 92 ALA H H 92 8.655 8.879 -0.224 1
1 975 . 11 1 1 A 92 92 ALA HA H 92 5.041 5.262 -0.221 1
1 979 . 11 1 1 A 92 92 ALA CA C 92 51.320 50.173 1.147 1
1 980 . 11 1 1 A 92 92 ALA CB C 92 19.480 21.448 -1.968 1
1 981 . 11 1 1 A 92 92 ALA N N 92 126.963 125.229 1.734 1
1 982 . 11 1 1 A 93 93 LEU H H 93 9.005 8.346 0.659 1
1 983 . 11 1 1 A 93 93 LEU HA H 93 4.720 5.245 -0.525 1
1 993 . 11 1 1 A 93 93 LEU CA C 93 53.750 53.373 0.377 1
1 994 . 11 1 1 A 93 93 LEU CB C 93 45.340 45.448 -0.108 1
1 998 . 11 1 1 A 93 93 LEU N N 93 122.440 119.517 2.923 1
1 999 . 11 1 1 A 94 94 GLN H H 94 8.360 8.740 -0.380 1
1 1000 . 11 1 1 A 94 94 GLN HA H 94 4.229 5.038 -0.809 1
1 1005 . 11 1 1 A 94 94 GLN CA C 94 56.040 54.340 1.700 1
1 1006 . 11 1 1 A 94 94 GLN CB C 94 28.780 31.334 -2.554 1
1 1008 . 11 1 1 A 94 94 GLN N N 94 119.357 119.248 0.109 1
1 1010 . 11 1 1 A 95 95 VAL H H 95 8.612 8.867 -0.255 1
1 1011 . 11 1 1 A 95 95 VAL HA H 95 4.013 4.642 -0.629 1
1 1019 . 11 1 1 A 95 95 VAL CA C 95 61.440 60.361 1.079 1
1 1020 . 11 1 1 A 95 95 VAL CB C 95 35.110 35.398 -0.288 1
1 1023 . 11 1 1 A 95 95 VAL N N 95 126.928 125.583 1.345 1
1 1024 . 11 1 1 A 96 96 GLN H H 96 9.222 8.941 0.281 1
1 1025 . 11 1 1 A 96 96 GLN HA H 96 4.279 4.460 -0.181 1
1 1032 . 11 1 1 A 96 96 GLN CA C 96 55.150 55.533 -0.383 1
1 1033 . 11 1 1 A 96 96 GLN CB C 96 29.100 29.618 -0.518 1
1 1035 . 11 1 1 A 96 96 GLN N N 96 128.360 126.540 1.820 1
1 1037 . 11 1 1 A 97 97 VAL H H 97 8.233 9.222 -0.989 1
1 1038 . 11 1 1 A 97 97 VAL HA H 97 3.674 4.282 -0.608 1
1 1046 . 11 1 1 A 97 97 VAL CA C 97 64.040 62.938 1.102 1
1 1047 . 11 1 1 A 97 97 VAL CB C 97 31.920 31.275 0.645 1
1 1050 . 11 1 1 A 97 97 VAL N N 97 128.120 125.674 2.446 1
1 1051 . 11 1 1 A 98 98 LEU H H 98 8.880 9.503 -0.623 1
1 1052 . 11 1 1 A 98 98 LEU HA H 98 4.472 4.462 0.010 1
1 1059 . 11 1 1 A 98 98 LEU CA C 98 55.641 55.827 -0.186 1
1 1060 . 11 1 1 A 98 98 LEU CB C 98 42.510 43.107 -0.597 1
1 1063 . 11 1 1 A 98 98 LEU N N 98 128.877 128.635 0.242 1
1 1064 . 11 1 1 A 99 99 GLU H H 99 7.682 7.294 0.388 1
1 1065 . 11 1 1 A 99 99 GLU HA H 99 4.403 4.766 -0.363 1
1 1070 . 11 1 1 A 99 99 GLU CA C 99 56.310 56.220 0.090 1
1 1071 . 11 1 1 A 99 99 GLU CB C 99 32.790 33.172 -0.382 1
1 1073 . 11 1 1 A 99 99 GLU N N 99 118.210 116.641 1.569 1
1 1074 . 11 1 1 A 100 100 TRP H H 100 8.883 8.721 0.162 1
1 1075 . 11 1 1 A 100 100 TRP HA H 100 5.205 5.219 -0.014 1
1 1084 . 11 1 1 A 100 100 TRP CA C 100 55.982 56.680 -0.698 1
1 1085 . 11 1 1 A 100 100 TRP CB C 100 32.430 32.743 -0.313 1
1 1091 . 11 1 1 A 100 100 TRP N N 100 126.421 125.111 1.310 1
1 1093 . 11 1 1 A 101 101 GLU H H 101 8.116 8.415 -0.299 1
1 1094 . 11 1 1 A 101 101 GLU HA H 101 4.462 4.542 -0.080 1
1 1098 . 11 1 1 A 101 101 GLU CA C 101 55.050 55.505 -0.455 1
1 1099 . 11 1 1 A 101 101 GLU CB C 101 30.950 29.767 1.183 1
1 1101 . 11 1 1 A 101 101 GLU N N 101 128.535 127.483 1.052 1
1 1102 . 11 1 1 A 102 102 GLY H H 102 7.614 7.403 0.211 1
1 1103 . 11 1 1 A 102 102 GLY HA2 H 102 3.853 3.968 -0.115 1
1 1104 . 11 1 1 A 102 102 GLY HA3 H 102 3.905 4.019 -0.114 1
1 1105 . 11 1 1 A 102 102 GLY CA C 102 44.440 45.044 -0.604 1
1 1106 . 11 1 1 A 102 102 GLY N N 102 108.953 109.240 -0.287 1
1 1107 . 11 1 1 A 103 103 ASP H H 103 8.261 8.620 -0.359 1
1 1108 . 11 1 1 A 103 103 ASP HA H 103 4.641 4.487 0.154 1
1 1111 . 11 1 1 A 103 103 ASP CA C 103 54.530 55.675 -1.145 1
1 1112 . 11 1 1 A 103 103 ASP CB C 103 41.690 40.664 1.026 1
1 1113 . 11 1 1 A 103 103 ASP N N 103 118.730 120.915 -2.185 1
1 1114 . 11 1 1 A 104 104 GLY H H 104 8.526 8.976 -0.450 1
1 1115 . 11 1 1 A 104 104 GLY HA2 H 104 3.719 4.055 -0.336 1
1 1116 . 11 1 1 A 104 104 GLY HA3 H 104 3.892 4.156 -0.264 1
1 1117 . 11 1 1 A 104 104 GLY CA C 104 45.960 46.706 -0.746 1
1 1118 . 11 1 1 A 104 104 GLY N N 104 109.230 113.831 -4.601 1
1 1119 . 11 1 1 A 105 105 ASP H H 105 7.806 8.077 -0.271 1
1 1120 . 11 1 1 A 105 105 ASP HA H 105 3.381 4.502 -1.121 1
1 1123 . 11 1 1 A 105 105 ASP CA C 105 51.020 50.476 0.544 1
1 1124 . 11 1 1 A 105 105 ASP CB C 105 41.406 40.867 0.539 1
1 1125 . 11 1 1 A 105 105 ASP N N 105 119.739 120.292 -0.553 1
1 1126 . 11 1 1 A 106 106 PRO HA H 106 4.065 4.175 -0.110 1
1 1133 . 11 1 1 A 106 106 PRO CA C 106 62.970 63.228 -0.258 1
1 1134 . 11 1 1 A 106 106 PRO CB C 106 31.660 31.844 -0.184 1
1 1137 . 11 1 1 A 107 107 GLY H H 107 7.863 7.537 0.326 1
1 1138 . 11 1 1 A 107 107 GLY HA2 H 107 3.401 3.944 -0.543 1
1 1139 . 11 1 1 A 107 107 GLY HA3 H 107 4.103 3.947 0.156 1
1 1140 . 11 1 1 A 107 107 GLY CA C 107 44.170 44.354 -0.184 1
1 1141 . 11 1 1 A 107 107 GLY N N 107 109.610 110.460 -0.850 1
1 1142 . 11 1 1 A 108 108 ASP H H 108 8.171 8.800 -0.629 1
1 1143 . 11 1 1 A 108 108 ASP HA H 108 4.283 4.511 -0.228 1
1 1145 . 11 1 1 A 108 108 ASP CA C 108 56.430 55.554 0.876 1
1 1146 . 11 1 1 A 108 108 ASP CB C 108 41.490 41.254 0.236 1
1 1147 . 11 1 1 A 108 108 ASP N N 108 119.264 122.686 -3.422 1
1 1148 . 11 1 1 A 109 109 SER H H 109 7.560 7.901 -0.341 1
1 1149 . 11 1 1 A 109 109 SER HA H 109 5.188 5.086 0.102 1
1 1152 . 11 1 1 A 109 109 SER CA C 109 56.740 56.969 -0.229 1
1 1153 . 11 1 1 A 109 109 SER CB C 109 65.780 66.599 -0.819 1
1 1154 . 11 1 1 A 109 109 SER N N 109 110.810 111.540 -0.730 1
1 1155 . 11 1 1 A 110 110 VAL H H 110 8.932 9.049 -0.117 1
1 1156 . 11 1 1 A 110 110 VAL HA H 110 4.262 4.824 -0.562 1
1 1164 . 11 1 1 A 110 110 VAL CA C 110 59.470 58.939 0.531 1
1 1165 . 11 1 1 A 110 110 VAL CB C 110 35.400 35.844 -0.444 1
1 1168 . 11 1 1 A 110 110 VAL N N 110 118.530 115.558 2.972 1
1 1169 . 11 1 1 A 111 111 GLN H H 111 8.468 8.644 -0.176 1
1 1170 . 11 1 1 A 111 111 GLN HA H 111 4.422 4.685 -0.263 1
1 1177 . 11 1 1 A 111 111 GLN CA C 111 55.960 54.518 1.442 1
1 1178 . 11 1 1 A 111 111 GLN CB C 111 29.470 29.502 -0.032 1
1 1180 . 11 1 1 A 111 111 GLN N N 111 127.378 122.313 5.065 1
1 1182 . 11 1 1 A 112 112 CYS H H 112 8.785 8.369 0.416 1
1 1183 . 11 1 1 A 112 112 CYS HA H 112 4.782 4.596 0.186 1
1 1186 . 11 1 1 A 112 112 CYS CA C 112 57.100 58.412 -1.312 1
1 1187 . 11 1 1 A 112 112 CYS CB C 112 33.700 29.888 3.812 1
1 1188 . 11 1 1 A 112 112 CYS N N 112 122.300 125.562 -3.262 1
1 1189 . 11 1 1 A 113 113 PHE H H 113 8.838 8.222 0.616 1
1 1190 . 11 1 1 A 113 113 PHE HA H 113 5.154 5.069 0.085 1
1 1197 . 11 1 1 A 113 113 PHE CA C 113 58.650 57.510 1.140 1
1 1198 . 11 1 1 A 113 113 PHE CB C 113 40.210 40.525 -0.315 1
1 1201 . 11 1 1 A 113 113 PHE N N 113 118.974 121.183 -2.209 1
1 1202 . 11 1 1 A 114 114 VAL H H 114 9.079 8.942 0.137 1
1 1203 . 11 1 1 A 114 114 VAL HA H 114 4.472 4.591 -0.119 1
1 1211 . 11 1 1 A 114 114 VAL CA C 114 60.650 61.407 -0.757 1
1 1212 . 11 1 1 A 114 114 VAL CB C 114 35.970 34.910 1.060 1
1 1215 . 11 1 1 A 114 114 VAL N N 114 121.660 121.348 0.312 1
1 1216 . 11 1 1 A 115 115 TYR H H 115 9.672 8.762 0.910 1
1 1217 . 11 1 1 A 115 115 TYR HA H 115 4.988 5.155 -0.167 1
1 1224 . 11 1 1 A 115 115 TYR CA C 115 59.240 58.348 0.892 1
1 1225 . 11 1 1 A 115 115 TYR CB C 115 36.925 40.010 -3.085 1
1 1228 . 11 1 1 A 115 115 TYR N N 115 127.830 126.402 1.428 1
1 1229 . 11 1 1 A 116 116 THR H H 116 9.061 9.157 -0.096 1
1 1230 . 11 1 1 A 116 116 THR HA H 116 5.435 5.739 -0.304 1
1 1235 . 11 1 1 A 116 116 THR CA C 116 60.130 60.481 -0.351 1
1 1236 . 11 1 1 A 116 116 THR CB C 116 71.910 72.469 -0.559 1
1 1238 . 11 1 1 A 116 116 THR N N 116 119.130 113.680 5.450 1
1 1239 . 11 1 1 A 117 117 THR H H 117 8.707 8.565 0.142 1
1 1240 . 11 1 1 A 117 117 THR HA H 117 5.561 5.237 0.324 1
1 1245 . 11 1 1 A 117 117 THR CA C 117 60.160 60.274 -0.114 1
1 1246 . 11 1 1 A 117 117 THR CB C 117 70.170 71.316 -1.146 1
1 1248 . 11 1 1 A 117 117 THR N N 117 111.190 114.842 -3.652 1
1 1249 . 11 1 1 A 118 118 ALA H H 118 9.257 7.955 1.302 1
1 1250 . 11 1 1 A 118 118 ALA HA H 118 5.033 4.794 0.239 1
1 1254 . 11 1 1 A 118 118 ALA CA C 118 51.550 52.224 -0.674 1
1 1255 . 11 1 1 A 118 118 ALA CB C 118 20.050 20.213 -0.163 1
1 1256 . 11 1 1 A 118 118 ALA N N 118 132.010 128.016 3.994 1
1 1257 . 11 1 1 A 119 119 THR H H 119 8.628 7.120 1.508 1
1 1258 . 11 1 1 A 119 119 THR HA H 119 4.143 4.288 -0.145 1
1 1263 . 11 1 1 A 119 119 THR CA C 119 60.090 60.836 -0.746 1
1 1264 . 11 1 1 A 119 119 THR CB C 119 68.056 69.005 -0.949 1
1 1266 . 11 1 1 A 119 119 THR N N 119 114.350 106.005 8.345 1
1 1267 . 11 1 1 A 120 120 TYR H H 120 6.281 7.281 -1.000 1
1 1268 . 11 1 1 A 120 120 TYR HA H 120 3.594 3.963 -0.369 1
1 1273 . 11 1 1 A 120 120 TYR CA C 120 53.530 57.488 -3.958 1
1 1274 . 11 1 1 A 120 120 TYR CB C 120 40.072 39.227 0.845 1
1 1276 . 11 1 1 A 120 120 TYR N N 120 117.205 122.051 -4.846 1
1 1277 . 11 1 1 A 121 121 ALA HA H 121 5.030 4.103 0.927 1
1 1278 . 11 1 1 A 121 121 ALA CA C 121 51.536 50.380 1.156 1
1 1279 . 11 1 1 A 122 122 PRO HA H 122 4.059 4.237 -0.178 1
1 1285 . 11 1 1 A 122 122 PRO CA C 122 65.435 64.501 0.934 1
1 1286 . 11 1 1 A 122 122 PRO CB C 122 31.680 32.009 -0.329 1
1 1289 . 11 1 1 A 123 123 GLU H H 123 9.336 8.848 0.488 1
1 1290 . 11 1 1 A 123 123 GLU HA H 123 4.169 3.641 0.528 1
1 1294 . 11 1 1 A 123 123 GLU CA C 123 59.100 58.825 0.275 1
1 1295 . 11 1 1 A 123 123 GLU CB C 123 27.940 28.682 -0.742 1
1 1297 . 11 1 1 A 123 123 GLU N N 123 115.528 115.917 -0.389 1
1 1298 . 11 1 1 A 124 124 TRP H H 124 8.560 7.519 1.041 1
1 1299 . 11 1 1 A 124 124 TRP HA H 124 4.671 4.472 0.199 1
1 1308 . 11 1 1 A 124 124 TRP CA C 124 57.370 60.105 -2.735 1
1 1309 . 11 1 1 A 124 124 TRP CB C 124 28.310 28.661 -0.351 1
1 1315 . 11 1 1 A 124 124 TRP N N 124 123.431 120.015 3.416 1
1 1317 . 11 1 1 A 125 125 LEU H H 125 7.378 7.508 -0.130 1
1 1318 . 11 1 1 A 125 125 LEU HA H 125 4.065 4.161 -0.096 1
1 1328 . 11 1 1 A 125 125 LEU CA C 125 56.060 57.466 -1.406 1
1 1329 . 11 1 1 A 125 125 LEU CB C 125 41.220 41.480 -0.260 1
1 1333 . 11 1 1 A 125 125 LEU N N 125 113.660 120.967 -7.307 1
1 1334 . 11 1 1 A 126 126 PHE H H 126 7.415 7.585 -0.170 1
1 1335 . 11 1 1 A 126 126 PHE HA H 126 4.640 4.442 0.198 1
1 1342 . 11 1 1 A 126 126 PHE CA C 126 56.940 59.861 -2.921 1
1 1343 . 11 1 1 A 126 126 PHE CB C 126 38.670 39.578 -0.908 1
1 1346 . 11 1 1 A 126 126 PHE N N 126 116.360 115.858 0.502 1
1 1347 . 11 1 1 A 127 127 LEU H H 127 7.168 7.440 -0.272 1
1 1348 . 11 1 1 A 127 127 LEU HA H 127 4.529 4.473 0.056 1
1 1358 . 11 1 1 A 127 127 LEU CA C 127 53.580 53.702 -0.122 1
1 1359 . 11 1 1 A 127 127 LEU CB C 127 40.832 41.242 -0.410 1
1 1363 . 11 1 1 A 127 127 LEU N N 127 122.990 121.273 1.717 1
1 1364 . 11 1 1 A 128 128 PRO HA H 128 3.986 4.395 -0.409 1
1 1371 . 11 1 1 A 128 128 PRO CA C 128 63.140 62.438 0.702 1
1 1372 . 11 1 1 A 128 128 PRO CB C 128 31.993 32.303 -0.310 1
1 1375 . 11 1 1 A 129 129 TYR H H 129 8.070 8.150 -0.080 1
1 1376 . 11 1 1 A 129 129 TYR HA H 129 5.529 4.972 0.557 1
1 1383 . 11 1 1 A 129 129 TYR CA C 129 52.486 57.729 -5.243 1
1 1384 . 11 1 1 A 129 129 TYR CB C 129 36.760 39.882 -3.122 1
1 1387 . 11 1 1 A 129 129 TYR N N 129 120.100 121.051 -0.951 1
1 1388 . 11 1 1 A 130 130 HIS H H 130 9.193 8.745 0.448 1
1 1389 . 11 1 1 A 130 130 HIS HA H 130 4.733 5.078 -0.345 1
1 1393 . 11 1 1 A 130 130 HIS CA C 130 55.920 54.860 1.060 1
1 1394 . 11 1 1 A 130 130 HIS CB C 130 32.908 33.854 -0.946 1
1 1396 . 11 1 1 A 130 130 HIS N N 130 121.985 118.536 3.449 1
1 1397 . 11 1 1 A 131 131 GLU H H 131 9.093 9.285 -0.192 1
1 1398 . 11 1 1 A 131 131 GLU HA H 131 4.277 4.466 -0.189 1
1 1402 . 11 1 1 A 131 131 GLU CA C 131 58.110 57.108 1.002 1
1 1403 . 11 1 1 A 131 131 GLU CB C 131 30.700 30.764 -0.064 1
1 1405 . 11 1 1 A 131 131 GLU N N 131 122.150 119.893 2.257 1
1 1406 . 11 1 1 A 132 132 SER H H 132 7.621 7.706 -0.085 1
1 1407 . 11 1 1 A 132 132 SER HA H 132 4.686 4.144 0.542 1
1 1410 . 11 1 1 A 132 132 SER CA C 132 56.340 57.286 -0.946 1
1 1411 . 11 1 1 A 132 132 SER CB C 132 65.050 65.366 -0.316 1
1 1412 . 11 1 1 A 132 132 SER N N 132 108.030 112.539 -4.509 1
1 1413 . 11 1 1 A 133 133 TYR H H 133 8.667 8.966 -0.299 1
1 1414 . 11 1 1 A 133 133 TYR HA H 133 4.564 4.995 -0.431 1
1 1419 . 11 1 1 A 133 133 TYR CA C 133 57.910 56.168 1.742 1
1 1420 . 11 1 1 A 133 133 TYR CB C 133 40.720 38.105 2.615 1
1 1422 . 11 1 1 A 133 133 TYR N N 133 121.977 118.408 3.569 1
1 1423 . 11 1 1 A 134 134 ASP H H 134 7.303 8.265 -0.962 1
1 1424 . 11 1 1 A 134 134 ASP HA H 134 3.944 5.112 -1.168 1
1 1427 . 11 1 1 A 134 134 ASP CA C 134 52.540 53.169 -0.629 1
1 1428 . 11 1 1 A 134 134 ASP CB C 134 42.900 43.097 -0.197 1
1 1429 . 11 1 1 A 134 134 ASP N N 134 127.820 122.354 5.466 1
1 1430 . 11 1 1 A 135 135 SER H H 135 9.392 9.205 0.187 1
1 1431 . 11 1 1 A 135 135 SER HA H 135 3.945 4.205 -0.260 1
1 1434 . 11 1 1 A 135 135 SER CA C 135 61.770 61.245 0.525 1
1 1435 . 11 1 1 A 135 135 SER CB C 135 63.561 62.784 0.777 1
1 1436 . 11 1 1 A 135 135 SER N N 135 127.670 120.193 7.477 1
1 1437 . 11 1 1 A 136 136 GLU H H 136 7.546 8.414 -0.868 1
1 1438 . 11 1 1 A 136 136 GLU HA H 136 4.233 4.396 -0.163 1
1 1443 . 11 1 1 A 136 136 GLU CA C 136 54.796 55.961 -1.165 1
1 1444 . 11 1 1 A 136 136 GLU CB C 136 28.420 28.814 -0.394 1
1 1446 . 11 1 1 A 136 136 GLU N N 136 113.107 116.250 -3.143 1
1 1447 . 11 1 1 A 137 137 GLY H H 137 7.241 8.475 -1.234 1
1 1448 . 11 1 1 A 137 137 GLY HA2 H 137 3.994 4.062 -0.068 1
1 1449 . 11 1 1 A 137 137 GLY HA3 H 137 3.503 4.133 -0.630 1
1 1450 . 11 1 1 A 137 137 GLY CA C 137 44.880 44.570 0.310 1
1 1451 . 11 1 1 A 137 137 GLY N N 137 104.690 109.409 -4.719 1
1 1452 . 11 1 1 A 138 138 PRO HA H 138 4.211 4.383 -0.172 1
1 1459 . 11 1 1 A 138 138 PRO CA C 138 64.830 64.157 0.673 1
1 1460 . 11 1 1 A 138 138 PRO CB C 138 31.180 31.827 -0.647 1
1 1463 . 11 1 1 A 139 139 HIS H H 139 6.414 7.429 -1.015 1
1 1464 . 11 1 1 A 139 139 HIS HA H 139 4.299 4.626 -0.327 1
1 1467 . 11 1 1 A 139 139 HIS CA C 139 55.080 56.341 -1.261 1
1 1468 . 11 1 1 A 139 139 HIS CB C 139 30.260 30.115 0.145 1
1 1470 . 11 1 1 A 139 139 HIS N N 139 116.498 115.505 0.993 1
1 1471 . 11 1 1 A 140 140 GLY H H 140 7.082 8.104 -1.022 1
1 1472 . 11 1 1 A 140 140 GLY HA2 H 140 3.919 3.934 -0.015 1
1 1473 . 11 1 1 A 140 140 GLY HA3 H 140 3.721 3.942 -0.221 1
1 1474 . 11 1 1 A 140 140 GLY CA C 140 46.590 45.467 1.123 1
1 1475 . 11 1 1 A 140 140 GLY N N 140 108.485 108.646 -0.161 1
1 1476 . 11 1 1 A 141 141 LEU HA H 141 4.451 4.446 0.005 1
1 1483 . 11 1 1 A 141 141 LEU CA C 141 53.024 54.101 -1.077 1
1 1484 . 11 1 1 A 141 141 LEU CB C 141 39.500 41.826 -2.326 1
1 1487 . 11 1 1 A 142 142 ARG H H 142 7.472 8.887 -1.415 1
1 1488 . 11 1 1 A 142 142 ARG HA H 142 4.724 4.868 -0.144 1
1 1493 . 11 1 1 A 142 142 ARG CA C 142 55.940 54.164 1.776 1
1 1494 . 11 1 1 A 142 142 ARG CB C 142 31.070 33.367 -2.297 1
1 1497 . 11 1 1 A 142 142 ARG N N 142 121.987 124.484 -2.497 1
1 1499 . 11 1 1 A 143 143 TYR H H 143 8.487 8.934 -0.447 1
1 1500 . 11 1 1 A 143 143 TYR HA H 143 4.474 4.664 -0.190 1
1 1507 . 11 1 1 A 143 143 TYR CA C 143 59.015 59.673 -0.658 1
1 1508 . 11 1 1 A 143 143 TYR CB C 143 38.720 39.254 -0.534 1
1 1511 . 11 1 1 A 143 143 TYR N N 143 127.896 124.847 3.049 1
1 1512 . 11 1 1 A 144 144 ASN H H 144 7.805 7.414 0.391 1
1 1513 . 11 1 1 A 144 144 ASN HA H 144 4.892 5.317 -0.425 1
1 1518 . 11 1 1 A 144 144 ASN CA C 144 50.120 50.058 0.062 1
1 1519 . 11 1 1 A 144 144 ASN CB C 144 39.360 39.419 -0.059 1
1 1520 . 11 1 1 A 144 144 ASN N N 144 125.629 126.027 -0.398 1
1 1522 . 11 1 1 A 145 145 PRO HA H 145 3.975 4.141 -0.166 1
1 1528 . 11 1 1 A 145 145 PRO CA C 145 63.140 63.475 -0.335 1
1 1529 . 11 1 1 A 145 145 PRO CB C 145 32.386 32.110 0.276 1
1 1532 . 11 1 1 A 146 146 ARG H H 146 8.055 7.861 0.194 1
1 1533 . 11 1 1 A 146 146 ARG HA H 146 3.918 4.004 -0.086 1
1 1541 . 11 1 1 A 146 146 ARG CA C 146 56.740 57.029 -0.289 1
1 1542 . 11 1 1 A 146 146 ARG CB C 146 30.430 28.797 1.633 1
1 1545 . 11 1 1 A 146 146 ARG N N 146 120.069 118.888 1.181 1
1 1547 . 11 1 1 A 147 147 GLU H H 147 8.440 7.950 0.490 1
1 1548 . 11 1 1 A 147 147 GLU HA H 147 4.167 4.095 0.072 1
1 1552 . 11 1 1 A 147 147 GLU CA C 147 56.710 59.352 -2.642 1
1 1553 . 11 1 1 A 147 147 GLU CB C 147 30.150 29.715 0.435 1
1 1555 . 11 1 1 A 147 147 GLU N N 147 120.760 119.263 1.497 1
1 1556 . 11 1 1 A 148 148 ASN H H 148 8.363 8.077 0.286 1
1 1557 . 11 1 1 A 148 148 ASN HA H 148 4.652 4.985 -0.333 1
1 1562 . 11 1 1 A 148 148 ASN CA C 148 53.240 51.895 1.345 1
1 1563 . 11 1 1 A 148 148 ASN CB C 148 38.840 38.889 -0.049 1
1 1564 . 11 1 1 A 148 148 ASN N N 148 120.210 112.791 7.419 1
1 1 . 12 1 1 A 2 2 ALA HA H 2 4.182 4.553 -0.371 1
1 5 . 12 1 1 A 2 2 ALA CA C 2 51.510 51.100 0.410 1
1 6 . 12 1 1 A 2 2 ALA CB C 2 20.090 20.768 -0.678 1
1 7 . 12 1 1 A 3 3 HIS H H 3 9.173 8.979 0.194 1
1 8 . 12 1 1 A 3 3 HIS HA H 3 5.839 5.268 0.571 1
1 12 . 12 1 1 A 3 3 HIS CA C 3 56.960 55.532 1.428 1
1 13 . 12 1 1 A 3 3 HIS CB C 3 32.820 31.398 1.422 1
1 15 . 12 1 1 A 3 3 HIS N N 3 118.801 119.894 -1.093 1
1 16 . 12 1 1 A 4 4 ILE H H 4 9.494 9.099 0.395 1
1 17 . 12 1 1 A 4 4 ILE HA H 4 5.508 5.230 0.278 1
1 27 . 12 1 1 A 4 4 ILE CA C 4 58.300 59.370 -1.070 1
1 28 . 12 1 1 A 4 4 ILE CB C 4 41.930 42.010 -0.080 1
1 32 . 12 1 1 A 4 4 ILE N N 4 118.202 118.484 -0.282 1
1 33 . 12 1 1 A 5 5 PHE H H 5 8.815 8.654 0.161 1
1 34 . 12 1 1 A 5 5 PHE HA H 5 5.789 5.439 0.350 1
1 42 . 12 1 1 A 5 5 PHE CA C 5 55.153 56.064 -0.911 1
1 43 . 12 1 1 A 5 5 PHE CB C 5 40.740 42.390 -1.650 1
1 47 . 12 1 1 A 5 5 PHE N N 5 126.107 124.084 2.023 1
1 48 . 12 1 1 A 6 6 VAL H H 6 9.078 7.979 1.099 1
1 49 . 12 1 1 A 6 6 VAL HA H 6 4.357 4.171 0.186 1
1 57 . 12 1 1 A 6 6 VAL CA C 6 59.157 61.697 -2.540 1
1 58 . 12 1 1 A 6 6 VAL CB C 6 33.473 32.474 0.999 1
1 61 . 12 1 1 A 6 6 VAL N N 6 118.658 120.804 -2.146 1
1 62 . 12 1 1 A 7 7 TYR H H 7 6.878 8.914 -2.036 1
1 63 . 12 1 1 A 7 7 TYR HA H 7 4.170 4.080 0.090 1
1 66 . 12 1 1 A 7 7 TYR CB C 7 36.608 39.167 -2.559 1
1 67 . 12 1 1 A 7 7 TYR N N 7 116.860 124.878 -8.018 1
1 68 . 12 1 1 A 8 8 GLY HA2 H 8 4.195 3.689 0.506 1
1 69 . 12 1 1 A 8 8 GLY HA3 H 8 2.933 3.837 -0.904 1
1 70 . 12 1 1 A 8 8 GLY CA C 8 46.169 45.194 0.975 1
1 71 . 12 1 1 A 9 9 THR H H 9 7.618 8.141 -0.523 1
1 72 . 12 1 1 A 9 9 THR HA H 9 3.831 4.253 -0.422 1
1 77 . 12 1 1 A 9 9 THR CA C 9 64.570 63.894 0.676 1
1 78 . 12 1 1 A 9 9 THR CB C 9 68.494 69.527 -1.033 1
1 80 . 12 1 1 A 9 9 THR N N 9 115.934 113.232 2.702 1
1 81 . 12 1 1 A 10 10 LEU H H 10 7.561 7.627 -0.066 1
1 82 . 12 1 1 A 10 10 LEU HA H 10 3.673 4.376 -0.703 1
1 92 . 12 1 1 A 10 10 LEU CA C 10 55.950 53.759 2.191 1
1 93 . 12 1 1 A 10 10 LEU CB C 10 41.610 41.988 -0.378 1
1 97 . 12 1 1 A 10 10 LEU N N 10 120.151 120.301 -0.150 1
1 98 . 12 1 1 A 11 11 LYS H H 11 6.738 8.033 -1.295 1
1 99 . 12 1 1 A 11 11 LYS HA H 11 4.007 4.713 -0.706 1
1 103 . 12 1 1 A 11 11 LYS CA C 11 57.390 57.621 -0.231 1
1 104 . 12 1 1 A 11 11 LYS CB C 11 34.322 33.543 0.779 1
1 106 . 12 1 1 A 11 11 LYS N N 11 116.295 119.838 -3.543 1
1 107 . 12 1 1 A 12 12 ARG H H 12 9.432 8.057 1.375 1
1 108 . 12 1 1 A 12 12 ARG HA H 12 2.029 4.028 -1.999 1
1 115 . 12 1 1 A 12 12 ARG CA C 12 58.420 59.391 -0.971 1
1 116 . 12 1 1 A 12 12 ARG CB C 12 29.190 30.693 -1.503 1
1 119 . 12 1 1 A 12 12 ARG N N 12 120.863 119.291 1.572 1
1 120 . 12 1 1 A 13 13 GLY H H 13 8.048 7.799 0.249 1
1 121 . 12 1 1 A 13 13 GLY HA2 H 13 3.990 4.044 -0.054 1
1 122 . 12 1 1 A 13 13 GLY HA3 H 13 3.538 4.079 -0.541 1
1 123 . 12 1 1 A 13 13 GLY CA C 13 45.490 45.561 -0.071 1
1 124 . 12 1 1 A 13 13 GLY N N 13 111.120 105.943 5.177 1
1 125 . 12 1 1 A 14 14 GLN H H 14 7.904 7.502 0.402 1
1 126 . 12 1 1 A 14 14 GLN HA H 14 4.682 4.478 0.204 1
1 133 . 12 1 1 A 14 14 GLN CA C 14 53.440 54.704 -1.264 1
1 134 . 12 1 1 A 14 14 GLN CB C 14 27.115 28.301 -1.186 1
1 136 . 12 1 1 A 14 14 GLN N N 14 117.811 120.384 -2.573 1
1 138 . 12 1 1 A 15 15 PRO HA H 15 4.342 4.325 0.017 1
1 145 . 12 1 1 A 15 15 PRO CA C 15 66.870 65.486 1.384 1
1 146 . 12 1 1 A 15 15 PRO CB C 15 34.060 31.938 2.122 1
1 149 . 12 1 1 A 16 16 ASN H H 16 8.287 8.478 -0.191 1
1 150 . 12 1 1 A 16 16 ASN HA H 16 5.356 4.645 0.711 1
1 155 . 12 1 1 A 16 16 ASN CA C 16 52.230 55.130 -2.900 1
1 156 . 12 1 1 A 16 16 ASN CB C 16 39.030 37.900 1.130 1
1 157 . 12 1 1 A 16 16 ASN N N 16 110.638 115.325 -4.687 1
1 159 . 12 1 1 A 17 17 HIS H H 17 7.819 8.133 -0.314 1
1 160 . 12 1 1 A 17 17 HIS HA H 17 3.815 4.062 -0.247 1
1 164 . 12 1 1 A 17 17 HIS CA C 17 60.140 59.798 0.342 1
1 165 . 12 1 1 A 17 17 HIS CB C 17 27.680 29.964 -2.284 1
1 167 . 12 1 1 A 17 17 HIS N N 17 121.058 121.245 -0.187 1
1 168 . 12 1 1 A 18 18 LYS H H 18 8.326 8.261 0.065 1
1 169 . 12 1 1 A 18 18 LYS HA H 18 3.695 4.114 -0.419 1
1 175 . 12 1 1 A 18 18 LYS CA C 18 58.890 58.926 -0.036 1
1 176 . 12 1 1 A 18 18 LYS CB C 18 31.070 31.476 -0.406 1
1 180 . 12 1 1 A 18 18 LYS N N 18 112.812 117.490 -4.678 1
1 181 . 12 1 1 A 19 19 VAL H H 19 7.373 7.825 -0.452 1
1 182 . 12 1 1 A 19 19 VAL HA H 19 3.816 3.861 -0.045 1
1 190 . 12 1 1 A 19 19 VAL CA C 19 64.960 65.355 -0.395 1
1 191 . 12 1 1 A 19 19 VAL CB C 19 30.960 31.274 -0.314 1
1 194 . 12 1 1 A 19 19 VAL N N 19 117.691 116.527 1.164 1
1 195 . 12 1 1 A 20 20 MET H H 20 7.329 8.003 -0.674 1
1 196 . 12 1 1 A 20 20 MET HA H 20 3.951 4.214 -0.263 1
1 204 . 12 1 1 A 20 20 MET CA C 20 55.560 56.734 -1.174 1
1 205 . 12 1 1 A 20 20 MET CB C 20 31.460 31.201 0.259 1
1 208 . 12 1 1 A 20 20 MET N N 20 114.870 118.919 -4.049 1
1 209 . 12 1 1 A 21 21 LEU H H 21 6.718 7.542 -0.824 1
1 210 . 12 1 1 A 21 21 LEU HA H 21 4.091 4.419 -0.328 1
1 220 . 12 1 1 A 21 21 LEU CA C 21 54.140 54.413 -0.273 1
1 221 . 12 1 1 A 21 21 LEU CB C 21 42.310 41.940 0.370 1
1 225 . 12 1 1 A 21 21 LEU N N 21 116.021 118.249 -2.228 1
1 226 . 12 1 1 A 22 22 ASP H H 22 6.399 7.317 -0.918 1
1 227 . 12 1 1 A 22 22 ASP HA H 22 4.288 4.751 -0.463 1
1 229 . 12 1 1 A 22 22 ASP CA C 22 52.776 52.762 0.014 1
1 230 . 12 1 1 A 22 22 ASP CB C 22 40.180 41.480 -1.300 1
1 231 . 12 1 1 A 22 22 ASP N N 22 117.972 119.742 -1.770 1
1 232 . 12 1 1 A 23 23 HIS H H 23 8.601 8.743 -0.142 1
1 233 . 12 1 1 A 23 23 HIS HA H 23 4.848 4.014 0.834 1
1 237 . 12 1 1 A 23 23 HIS CA C 23 55.800 59.044 -3.244 1
1 238 . 12 1 1 A 23 23 HIS CB C 23 27.860 30.074 -2.214 1
1 240 . 12 1 1 A 23 23 HIS N N 23 123.395 126.238 -2.843 1
1 241 . 12 1 1 A 24 24 SER H H 24 8.526 8.057 0.469 1
1 242 . 12 1 1 A 24 24 SER HA H 24 4.105 4.008 0.097 1
1 244 . 12 1 1 A 24 24 SER CA C 24 60.870 61.725 -0.855 1
1 245 . 12 1 1 A 24 24 SER CB C 24 62.510 62.948 -0.438 1
1 246 . 12 1 1 A 24 24 SER N N 24 117.035 115.220 1.815 1
1 247 . 12 1 1 A 25 25 HIS H H 25 7.450 7.693 -0.243 1
1 248 . 12 1 1 A 25 25 HIS HA H 25 4.494 4.222 0.272 1
1 252 . 12 1 1 A 25 25 HIS CA C 25 53.900 55.750 -1.850 1
1 253 . 12 1 1 A 25 25 HIS CB C 25 28.320 29.379 -1.059 1
1 255 . 12 1 1 A 25 25 HIS N N 25 117.560 117.333 0.227 1
1 256 . 12 1 1 A 26 26 GLY H H 26 6.926 7.136 -0.210 1
1 257 . 12 1 1 A 26 26 GLY HA2 H 26 3.587 3.797 -0.210 1
1 258 . 12 1 1 A 26 26 GLY HA3 H 26 4.362 3.902 0.460 1
1 259 . 12 1 1 A 26 26 GLY CA C 26 43.730 43.857 -0.127 1
1 260 . 12 1 1 A 26 26 GLY N N 26 103.120 105.878 -2.758 1
1 261 . 12 1 1 A 27 27 LEU H H 27 8.579 8.338 0.241 1
1 262 . 12 1 1 A 27 27 LEU HA H 27 4.327 4.716 -0.389 1
1 271 . 12 1 1 A 27 27 LEU CA C 27 54.520 55.329 -0.809 1
1 272 . 12 1 1 A 27 27 LEU CB C 27 44.250 42.709 1.541 1
1 276 . 12 1 1 A 27 27 LEU N N 27 121.940 121.357 0.583 1
1 277 . 12 1 1 A 28 28 ALA H H 28 7.776 8.578 -0.802 1
1 278 . 12 1 1 A 28 28 ALA HA H 28 5.231 5.496 -0.265 1
1 282 . 12 1 1 A 28 28 ALA CA C 28 50.990 50.950 0.040 1
1 283 . 12 1 1 A 28 28 ALA CB C 28 22.580 23.239 -0.659 1
1 284 . 12 1 1 A 28 28 ALA N N 28 123.020 128.495 -5.475 1
1 285 . 12 1 1 A 29 29 ALA H H 29 9.231 8.680 0.551 1
1 286 . 12 1 1 A 29 29 ALA HA H 29 4.857 5.069 -0.212 1
1 290 . 12 1 1 A 29 29 ALA CA C 29 50.661 51.039 -0.378 1
1 291 . 12 1 1 A 29 29 ALA CB C 29 21.140 23.079 -1.939 1
1 292 . 12 1 1 A 29 29 ALA N N 29 125.760 121.010 4.750 1
1 293 . 12 1 1 A 30 30 PHE H H 30 9.083 9.093 -0.010 1
1 294 . 12 1 1 A 30 30 PHE HA H 30 3.397 3.816 -0.419 1
1 301 . 12 1 1 A 30 30 PHE CA C 30 59.895 56.413 3.482 1
1 302 . 12 1 1 A 30 30 PHE CB C 30 38.810 38.371 0.439 1
1 305 . 12 1 1 A 30 30 PHE N N 30 126.590 123.906 2.684 1
1 306 . 12 1 1 A 31 31 ARG H H 31 8.102 8.227 -0.125 1
1 307 . 12 1 1 A 31 31 ARG HA H 31 3.941 4.099 -0.158 1
1 314 . 12 1 1 A 31 31 ARG CA C 31 53.120 54.297 -1.177 1
1 315 . 12 1 1 A 31 31 ARG CB C 31 31.665 29.243 2.422 1
1 318 . 12 1 1 A 31 31 ARG N N 31 125.007 127.665 -2.658 1
1 320 . 12 1 1 A 32 32 GLY H H 32 5.465 7.331 -1.866 1
1 321 . 12 1 1 A 32 32 GLY HA2 H 32 3.264 3.421 -0.157 1
1 322 . 12 1 1 A 32 32 GLY HA3 H 32 4.670 3.674 0.996 1
1 323 . 12 1 1 A 32 32 GLY CA C 32 45.150 44.239 0.911 1
1 324 . 12 1 1 A 32 32 GLY N N 32 101.400 113.577 -12.177 1
1 325 . 12 1 1 A 33 33 ARG H H 33 8.345 8.031 0.314 1
1 326 . 12 1 1 A 33 33 ARG HA H 33 5.158 5.162 -0.004 1
1 332 . 12 1 1 A 33 33 ARG CA C 33 54.924 53.963 0.961 1
1 333 . 12 1 1 A 33 33 ARG CB C 33 34.180 34.689 -0.509 1
1 336 . 12 1 1 A 33 33 ARG N N 33 116.822 116.947 -0.125 1
1 338 . 12 1 1 A 34 34 GLY H H 34 8.549 8.281 0.268 1
1 339 . 12 1 1 A 34 34 GLY HA2 H 34 5.154 4.379 0.775 1
1 340 . 12 1 1 A 34 34 GLY HA3 H 34 3.752 4.451 -0.699 1
1 341 . 12 1 1 A 34 34 GLY CA C 34 45.620 45.922 -0.302 1
1 342 . 12 1 1 A 34 34 GLY N N 34 107.400 106.051 1.349 1
1 343 . 12 1 1 A 35 35 CYS H H 35 8.803 8.723 0.080 1
1 344 . 12 1 1 A 35 35 CYS HA H 35 5.893 5.539 0.354 1
1 347 . 12 1 1 A 35 35 CYS CA C 35 55.420 58.114 -2.694 1
1 348 . 12 1 1 A 35 35 CYS CB C 35 30.960 32.287 -1.327 1
1 349 . 12 1 1 A 35 35 CYS N N 35 117.781 119.306 -1.525 1
1 350 . 12 1 1 A 36 36 THR H H 36 9.033 8.416 0.617 1
1 351 . 12 1 1 A 36 36 THR HA H 36 3.835 4.308 -0.473 1
1 356 . 12 1 1 A 36 36 THR CA C 36 64.160 61.430 2.730 1
1 357 . 12 1 1 A 36 36 THR CB C 36 68.200 69.344 -1.144 1
1 359 . 12 1 1 A 36 36 THR N N 36 117.973 113.752 4.221 1
1 360 . 12 1 1 A 37 37 VAL H H 37 7.545 8.539 -0.994 1
1 361 . 12 1 1 A 37 37 VAL HA H 37 3.709 3.895 -0.186 1
1 369 . 12 1 1 A 37 37 VAL CA C 37 65.740 66.043 -0.303 1
1 370 . 12 1 1 A 37 37 VAL CB C 37 32.410 32.212 0.198 1
1 373 . 12 1 1 A 37 37 VAL N N 37 121.706 125.128 -3.422 1
1 374 . 12 1 1 A 38 38 GLU H H 38 8.540 7.710 0.830 1
1 375 . 12 1 1 A 38 38 GLU HA H 38 4.264 4.199 0.065 1
1 380 . 12 1 1 A 38 38 GLU CA C 38 54.260 55.767 -1.507 1
1 381 . 12 1 1 A 38 38 GLU CB C 38 30.770 30.076 0.694 1
1 383 . 12 1 1 A 38 38 GLU N N 38 119.219 120.242 -1.023 1
1 384 . 12 1 1 A 39 39 SER H H 39 8.692 8.207 0.485 1
1 385 . 12 1 1 A 39 39 SER HA H 39 4.035 4.433 -0.398 1
1 388 . 12 1 1 A 39 39 SER CA C 39 57.370 59.347 -1.977 1
1 389 . 12 1 1 A 39 39 SER CB C 39 63.760 63.975 -0.215 1
1 390 . 12 1 1 A 39 39 SER N N 39 118.941 119.560 -0.619 1
1 391 . 12 1 1 A 40 40 PHE H H 40 8.302 9.274 -0.972 1
1 392 . 12 1 1 A 40 40 PHE HA H 40 4.986 4.963 0.023 1
1 400 . 12 1 1 A 40 40 PHE CA C 40 57.320 55.677 1.643 1
1 401 . 12 1 1 A 40 40 PHE CB C 40 44.292 42.793 1.499 1
1 405 . 12 1 1 A 40 40 PHE N N 40 119.300 121.701 -2.401 1
1 406 . 12 1 1 A 41 41 PRO HA H 41 3.828 4.172 -0.344 1
1 413 . 12 1 1 A 41 41 PRO CA C 41 62.270 61.944 0.326 1
1 414 . 12 1 1 A 41 41 PRO CB C 41 30.790 29.326 1.464 1
1 417 . 12 1 1 A 42 42 LEU H H 42 7.964 8.170 -0.206 1
1 418 . 12 1 1 A 42 42 LEU HA H 42 5.352 4.995 0.357 1
1 427 . 12 1 1 A 42 42 LEU CA C 42 53.830 54.344 -0.514 1
1 428 . 12 1 1 A 42 42 LEU CB C 42 42.380 42.302 0.078 1
1 431 . 12 1 1 A 42 42 LEU N N 42 129.948 123.877 6.071 1
1 432 . 12 1 1 A 43 43 VAL H H 43 8.607 8.951 -0.344 1
1 433 . 12 1 1 A 43 43 VAL HA H 43 5.296 5.001 0.295 1
1 441 . 12 1 1 A 43 43 VAL CA C 43 58.040 61.843 -3.803 1
1 442 . 12 1 1 A 43 43 VAL CB C 43 35.220 33.090 2.130 1
1 445 . 12 1 1 A 43 43 VAL N N 43 117.190 126.133 -8.943 1
1 446 . 12 1 1 A 44 44 ILE H H 44 9.056 8.518 0.538 1
1 447 . 12 1 1 A 44 44 ILE HA H 44 4.426 5.113 -0.687 1
1 457 . 12 1 1 A 44 44 ILE CA C 44 61.156 59.938 1.218 1
1 458 . 12 1 1 A 44 44 ILE CB C 44 38.544 40.657 -2.113 1
1 462 . 12 1 1 A 44 44 ILE N N 44 122.963 123.821 -0.858 1
1 463 . 12 1 1 A 45 45 ALA H H 45 8.701 8.564 0.137 1
1 464 . 12 1 1 A 45 45 ALA HA H 45 4.626 4.682 -0.056 1
1 468 . 12 1 1 A 45 45 ALA CA C 45 51.430 50.932 0.498 1
1 469 . 12 1 1 A 45 45 ALA CB C 45 21.670 21.280 0.390 1
1 470 . 12 1 1 A 45 45 ALA N N 45 126.347 128.162 -1.815 1
1 471 . 12 1 1 A 46 46 GLY H H 46 8.486 8.690 -0.204 1
1 472 . 12 1 1 A 46 46 GLY HA2 H 46 4.587 4.175 0.412 1
1 473 . 12 1 1 A 46 46 GLY HA3 H 46 4.084 4.204 -0.120 1
1 474 . 12 1 1 A 46 46 GLY CA C 46 44.500 44.920 -0.420 1
1 475 . 12 1 1 A 46 46 GLY N N 46 108.262 106.692 1.570 1
1 476 . 12 1 1 A 47 47 GLU H H 47 8.938 8.816 0.122 1
1 477 . 12 1 1 A 47 47 GLU HA H 47 4.003 4.243 -0.240 1
1 480 . 12 1 1 A 47 47 GLU CA C 47 58.820 57.847 0.973 1
1 481 . 12 1 1 A 47 47 GLU CB C 47 29.500 30.093 -0.593 1
1 482 . 12 1 1 A 47 47 GLU N N 47 118.010 122.761 -4.751 1
1 483 . 12 1 1 A 48 48 HIS H H 48 8.742 7.687 1.055 1
1 484 . 12 1 1 A 48 48 HIS HA H 48 4.704 4.564 0.140 1
1 488 . 12 1 1 A 48 48 HIS CA C 48 55.130 55.703 -0.573 1
1 489 . 12 1 1 A 48 48 HIS CB C 48 29.110 30.022 -0.912 1
1 491 . 12 1 1 A 48 48 HIS N N 48 115.306 114.195 1.111 1
1 492 . 12 1 1 A 49 49 ASN H H 49 7.810 8.068 -0.258 1
1 493 . 12 1 1 A 49 49 ASN HA H 49 3.878 4.207 -0.329 1
1 498 . 12 1 1 A 49 49 ASN CA C 49 53.876 54.281 -0.405 1
1 499 . 12 1 1 A 49 49 ASN CB C 49 36.030 36.574 -0.544 1
1 500 . 12 1 1 A 49 49 ASN N N 49 114.919 114.101 0.818 1
1 502 . 12 1 1 A 50 50 ILE H H 50 7.046 7.751 -0.705 1
1 503 . 12 1 1 A 50 50 ILE HA H 50 4.022 4.470 -0.448 1
1 513 . 12 1 1 A 50 50 ILE CA C 50 59.430 58.057 1.373 1
1 514 . 12 1 1 A 50 50 ILE CB C 50 41.326 38.285 3.041 1
1 518 . 12 1 1 A 50 50 ILE N N 50 120.995 120.104 0.891 1
1 519 . 12 1 1 A 51 51 PRO HA H 51 5.194 4.891 0.303 1
1 521 . 12 1 1 A 51 51 PRO CA C 51 60.560 62.564 -2.004 1
1 522 . 12 1 1 A 51 51 PRO CB C 51 31.841 32.266 -0.425 1
1 523 . 12 1 1 A 52 52 TRP H H 52 9.564 8.916 0.648 1
1 524 . 12 1 1 A 52 52 TRP HA H 52 4.805 5.250 -0.445 1
1 532 . 12 1 1 A 52 52 TRP CA C 52 56.550 56.130 0.420 1
1 533 . 12 1 1 A 52 52 TRP CB C 52 32.300 32.675 -0.375 1
1 539 . 12 1 1 A 52 52 TRP N N 52 123.070 122.875 0.195 1
1 541 . 12 1 1 A 53 53 LEU H H 53 7.227 9.124 -1.897 1
1 542 . 12 1 1 A 53 53 LEU HA H 53 4.863 4.452 0.411 1
1 552 . 12 1 1 A 53 53 LEU CA C 53 53.790 56.264 -2.474 1
1 553 . 12 1 1 A 53 53 LEU CB C 53 42.250 43.072 -0.822 1
1 557 . 12 1 1 A 53 53 LEU N N 53 124.700 127.260 -2.560 1
1 558 . 12 1 1 A 54 54 LEU H H 54 9.021 8.074 0.947 1
1 559 . 12 1 1 A 54 54 LEU HA H 54 4.618 4.132 0.486 1
1 569 . 12 1 1 A 54 54 LEU CA C 54 54.030 55.570 -1.540 1
1 570 . 12 1 1 A 54 54 LEU CB C 54 40.360 40.680 -0.320 1
1 574 . 12 1 1 A 54 54 LEU N N 54 126.893 119.079 7.814 1
1 575 . 12 1 1 A 55 55 TYR H H 55 8.884 8.595 0.289 1
1 576 . 12 1 1 A 55 55 TYR HA H 55 4.562 4.416 0.146 1
1 583 . 12 1 1 A 55 55 TYR CA C 55 58.420 58.828 -0.408 1
1 584 . 12 1 1 A 55 55 TYR CB C 55 36.180 38.663 -2.483 1
1 587 . 12 1 1 A 55 55 TYR N N 55 123.430 123.852 -0.422 1
1 588 . 12 1 1 A 56 56 LEU H H 56 8.192 8.585 -0.393 1
1 589 . 12 1 1 A 56 56 LEU HA H 56 4.530 4.620 -0.090 1
1 598 . 12 1 1 A 56 56 LEU CA C 56 51.720 52.201 -0.481 1
1 599 . 12 1 1 A 56 56 LEU CB C 56 43.260 42.765 0.495 1
1 602 . 12 1 1 A 56 56 LEU N N 56 130.832 128.764 2.068 1
1 603 . 12 1 1 A 57 57 PRO HA H 57 3.779 3.620 0.159 1
1 610 . 12 1 1 A 57 57 PRO CA C 57 62.240 63.539 -1.299 1
1 611 . 12 1 1 A 57 57 PRO CB C 57 31.130 31.627 -0.497 1
1 614 . 12 1 1 A 58 58 GLY H H 58 8.908 8.463 0.445 1
1 615 . 12 1 1 A 58 58 GLY HA2 H 58 4.027 3.864 0.163 1
1 616 . 12 1 1 A 58 58 GLY HA3 H 58 3.433 3.895 -0.462 1
1 617 . 12 1 1 A 58 58 GLY CA C 58 44.860 45.498 -0.638 1
1 618 . 12 1 1 A 58 58 GLY N N 58 112.351 110.984 1.367 1
1 619 . 12 1 1 A 59 59 LYS H H 59 7.214 7.516 -0.302 1
1 620 . 12 1 1 A 59 59 LYS HA H 59 4.386 4.789 -0.403 1
1 629 . 12 1 1 A 59 59 LYS CA C 59 53.760 55.569 -1.809 1
1 630 . 12 1 1 A 59 59 LYS CB C 59 34.590 35.491 -0.901 1
1 634 . 12 1 1 A 59 59 LYS N N 59 121.458 120.117 1.341 1
1 635 . 12 1 1 A 60 60 GLY H H 60 8.312 8.458 -0.146 1
1 636 . 12 1 1 A 60 60 GLY HA2 H 60 3.379 3.881 -0.502 1
1 637 . 12 1 1 A 60 60 GLY HA3 H 60 3.229 4.000 -0.771 1
1 638 . 12 1 1 A 60 60 GLY CA C 60 45.350 46.132 -0.782 1
1 639 . 12 1 1 A 60 60 GLY N N 60 103.990 112.392 -8.402 1
1 640 . 12 1 1 A 61 61 HIS H H 61 7.880 8.635 -0.755 1
1 641 . 12 1 1 A 61 61 HIS HA H 61 4.868 5.425 -0.557 1
1 645 . 12 1 1 A 61 61 HIS CA C 61 53.920 54.520 -0.600 1
1 646 . 12 1 1 A 61 61 HIS CB C 61 33.020 33.798 -0.778 1
1 648 . 12 1 1 A 61 61 HIS N N 61 121.221 120.363 0.858 1
1 649 . 12 1 1 A 62 62 CYS H H 62 8.760 8.802 -0.042 1
1 650 . 12 1 1 A 62 62 CYS HA H 62 4.248 4.838 -0.590 1
1 653 . 12 1 1 A 62 62 CYS CA C 62 61.730 57.521 4.209 1
1 654 . 12 1 1 A 62 62 CYS CB C 62 26.560 27.830 -1.270 1
1 655 . 12 1 1 A 62 62 CYS N N 62 121.842 120.926 0.916 1
1 656 . 12 1 1 A 63 63 VAL H H 63 8.109 8.477 -0.368 1
1 657 . 12 1 1 A 63 63 VAL HA H 63 4.869 4.694 0.175 1
1 665 . 12 1 1 A 63 63 VAL CA C 63 62.210 63.088 -0.878 1
1 666 . 12 1 1 A 63 63 VAL CB C 63 34.780 31.512 3.268 1
1 669 . 12 1 1 A 63 63 VAL N N 63 127.029 126.766 0.263 1
1 670 . 12 1 1 A 64 64 THR H H 64 8.453 8.237 0.216 1
1 671 . 12 1 1 A 64 64 THR HA H 64 5.349 4.622 0.727 1
1 676 . 12 1 1 A 64 64 THR CA C 64 61.100 62.019 -0.919 1
1 677 . 12 1 1 A 64 64 THR CB C 64 70.790 70.031 0.759 1
1 679 . 12 1 1 A 64 64 THR N N 64 116.830 120.955 -4.125 1
1 680 . 12 1 1 A 65 65 GLY H H 65 8.663 8.429 0.234 1
1 681 . 12 1 1 A 65 65 GLY HA2 H 65 4.085 4.085 0.000 1
1 682 . 12 1 1 A 65 65 GLY HA3 H 65 3.480 4.290 -0.810 1
1 683 . 12 1 1 A 65 65 GLY CA C 65 46.570 46.292 0.278 1
1 684 . 12 1 1 A 65 65 GLY N N 65 107.680 109.230 -1.550 1
1 685 . 12 1 1 A 66 66 GLU H H 66 8.574 8.337 0.237 1
1 686 . 12 1 1 A 66 66 GLU HA H 66 5.150 5.461 -0.311 1
1 689 . 12 1 1 A 66 66 GLU CA C 66 54.450 54.695 -0.245 1
1 690 . 12 1 1 A 66 66 GLU CB C 66 37.328 34.148 3.180 1
1 691 . 12 1 1 A 66 66 GLU N N 66 120.921 120.354 0.567 1
1 692 . 12 1 1 A 67 67 ILE H H 67 8.623 8.211 0.412 1
1 693 . 12 1 1 A 67 67 ILE HA H 67 5.149 4.900 0.249 1
1 703 . 12 1 1 A 67 67 ILE CA C 67 60.180 60.426 -0.246 1
1 704 . 12 1 1 A 67 67 ILE CB C 67 40.210 39.910 0.300 1
1 708 . 12 1 1 A 67 67 ILE N N 67 121.340 121.747 -0.407 1
1 709 . 12 1 1 A 68 68 TYR H H 68 9.196 8.647 0.549 1
1 710 . 12 1 1 A 68 68 TYR HA H 68 5.001 5.407 -0.406 1
1 717 . 12 1 1 A 68 68 TYR CA C 68 56.270 57.131 -0.861 1
1 718 . 12 1 1 A 68 68 TYR CB C 68 41.480 39.595 1.885 1
1 721 . 12 1 1 A 68 68 TYR N N 68 123.650 126.726 -3.076 1
1 722 . 12 1 1 A 69 69 GLU H H 69 9.302 8.813 0.489 1
1 723 . 12 1 1 A 69 69 GLU HA H 69 5.066 4.648 0.418 1
1 728 . 12 1 1 A 69 69 GLU CA C 69 55.180 57.088 -1.908 1
1 729 . 12 1 1 A 69 69 GLU CB C 69 31.420 30.748 0.672 1
1 731 . 12 1 1 A 69 69 GLU N N 69 124.090 125.704 -1.614 1
1 732 . 12 1 1 A 70 70 VAL H H 70 8.908 9.070 -0.162 1
1 733 . 12 1 1 A 70 70 VAL HA H 70 5.556 5.243 0.313 1
1 741 . 12 1 1 A 70 70 VAL CA C 70 57.780 58.780 -1.000 1
1 742 . 12 1 1 A 70 70 VAL CB C 70 35.400 36.061 -0.661 1
1 745 . 12 1 1 A 70 70 VAL N N 70 119.540 119.892 -0.352 1
1 746 . 12 1 1 A 71 71 ASP H H 71 7.939 8.277 -0.338 1
1 747 . 12 1 1 A 71 71 ASP HA H 71 4.909 5.013 -0.104 1
1 750 . 12 1 1 A 71 71 ASP CA C 71 51.240 52.823 -1.583 1
1 751 . 12 1 1 A 71 71 ASP CB C 71 42.210 42.929 -0.719 1
1 752 . 12 1 1 A 71 71 ASP N N 71 120.720 120.812 -0.092 1
1 753 . 12 1 1 A 72 72 GLU H H 72 8.364 8.958 -0.594 1
1 754 . 12 1 1 A 72 72 GLU HA H 72 3.869 3.921 -0.052 1
1 757 . 12 1 1 A 72 72 GLU CA C 72 59.775 60.239 -0.464 1
1 758 . 12 1 1 A 72 72 GLU CB C 72 29.140 29.248 -0.108 1
1 760 . 12 1 1 A 72 72 GLU N N 72 117.910 122.924 -5.014 1
1 761 . 12 1 1 A 73 73 GLN H H 73 7.960 7.985 -0.025 1
1 762 . 12 1 1 A 73 73 GLN HA H 73 3.899 4.079 -0.180 1
1 767 . 12 1 1 A 73 73 GLN CA C 73 59.570 58.710 0.860 1
1 768 . 12 1 1 A 73 73 GLN CB C 73 27.810 28.412 -0.602 1
1 770 . 12 1 1 A 73 73 GLN N N 73 119.617 119.488 0.129 1
1 772 . 12 1 1 A 74 74 MET H H 74 8.489 7.830 0.659 1
1 773 . 12 1 1 A 74 74 MET HA H 74 4.766 4.378 0.388 1
1 780 . 12 1 1 A 74 74 MET CA C 74 56.790 58.232 -1.442 1
1 781 . 12 1 1 A 74 74 MET CB C 74 31.900 32.463 -0.563 1
1 784 . 12 1 1 A 74 74 MET N N 74 121.800 119.311 2.489 1
1 785 . 12 1 1 A 75 75 LEU H H 75 8.162 8.360 -0.198 1
1 786 . 12 1 1 A 75 75 LEU HA H 75 3.897 4.162 -0.265 1
1 796 . 12 1 1 A 75 75 LEU CA C 75 58.230 58.025 0.205 1
1 797 . 12 1 1 A 75 75 LEU CB C 75 42.160 41.823 0.337 1
1 801 . 12 1 1 A 75 75 LEU N N 75 120.230 121.650 -1.420 1
1 802 . 12 1 1 A 76 76 ARG H H 76 7.824 8.569 -0.745 1
1 803 . 12 1 1 A 76 76 ARG HA H 76 3.952 3.996 -0.044 1
1 811 . 12 1 1 A 76 76 ARG CA C 76 59.270 59.752 -0.482 1
1 812 . 12 1 1 A 76 76 ARG CB C 76 29.930 29.828 0.102 1
1 815 . 12 1 1 A 76 76 ARG N N 76 116.540 119.468 -2.928 1
1 817 . 12 1 1 A 77 77 PHE H H 77 8.137 8.160 -0.023 1
1 818 . 12 1 1 A 77 77 PHE HA H 77 4.085 4.222 -0.137 1
1 825 . 12 1 1 A 77 77 PHE CA C 77 61.980 61.279 0.701 1
1 826 . 12 1 1 A 77 77 PHE CB C 77 38.530 39.247 -0.717 1
1 829 . 12 1 1 A 77 77 PHE N N 77 120.650 121.457 -0.807 1
1 830 . 12 1 1 A 78 78 LEU H H 78 9.071 9.078 -0.007 1
1 831 . 12 1 1 A 78 78 LEU HA H 78 3.629 3.810 -0.181 1
1 841 . 12 1 1 A 78 78 LEU CA C 78 57.730 57.750 -0.020 1
1 842 . 12 1 1 A 78 78 LEU CB C 78 41.420 40.918 0.502 1
1 846 . 12 1 1 A 78 78 LEU N N 78 122.360 119.458 2.902 1
1 847 . 12 1 1 A 79 79 ASP H H 79 8.506 7.839 0.667 1
1 848 . 12 1 1 A 79 79 ASP HA H 79 4.320 4.073 0.247 1
1 851 . 12 1 1 A 79 79 ASP CA C 79 57.190 56.450 0.740 1
1 852 . 12 1 1 A 79 79 ASP CB C 79 39.420 41.273 -1.853 1
1 853 . 12 1 1 A 79 79 ASP N N 79 120.070 119.104 0.966 1
1 854 . 12 1 1 A 80 80 ASP H H 80 7.154 7.892 -0.738 1
1 855 . 12 1 1 A 80 80 ASP HA H 80 4.501 4.487 0.014 1
1 858 . 12 1 1 A 80 80 ASP CA C 80 56.700 54.196 2.504 1
1 859 . 12 1 1 A 80 80 ASP CB C 80 40.660 41.131 -0.471 1
1 860 . 12 1 1 A 80 80 ASP N N 80 118.890 118.147 0.743 1
1 861 . 12 1 1 A 81 81 PHE H H 81 8.791 8.169 0.622 1
1 862 . 12 1 1 A 81 81 PHE HA H 81 3.659 4.054 -0.395 1
1 867 . 12 1 1 A 81 81 PHE CA C 81 61.640 59.926 1.714 1
1 868 . 12 1 1 A 81 81 PHE CB C 81 40.210 39.800 0.410 1
1 870 . 12 1 1 A 81 81 PHE N N 81 125.745 120.396 5.349 1
1 871 . 12 1 1 A 82 82 GLU H H 82 8.209 7.724 0.485 1
1 872 . 12 1 1 A 82 82 GLU HA H 82 3.956 4.289 -0.333 1
1 875 . 12 1 1 A 82 82 GLU CA C 82 55.060 55.137 -0.077 1
1 876 . 12 1 1 A 82 82 GLU CB C 82 28.910 28.445 0.465 1
1 878 . 12 1 1 A 82 82 GLU N N 82 115.707 114.257 1.450 1
1 879 . 12 1 1 A 83 83 ASP H H 83 7.615 7.970 -0.355 1
1 880 . 12 1 1 A 83 83 ASP HA H 83 4.236 4.071 0.165 1
1 883 . 12 1 1 A 83 83 ASP CA C 83 54.370 55.467 -1.097 1
1 884 . 12 1 1 A 83 83 ASP CB C 83 39.400 39.075 0.325 1
1 885 . 12 1 1 A 83 83 ASP N N 83 116.517 114.615 1.902 1
1 886 . 12 1 1 A 84 84 CYS H H 84 8.361 7.586 0.775 1
1 887 . 12 1 1 A 84 84 CYS HA H 84 5.522 4.852 0.670 1
1 890 . 12 1 1 A 84 84 CYS CA C 84 56.617 58.088 -1.471 1
1 891 . 12 1 1 A 84 84 CYS CB C 84 27.651 27.413 0.238 1
1 892 . 12 1 1 A 84 84 CYS N N 84 119.420 117.462 1.958 1
1 893 . 12 1 1 A 85 85 PRO HA H 85 5.704 4.888 0.816 1
1 900 . 12 1 1 A 85 85 PRO CA C 85 64.355 64.194 0.161 1
1 901 . 12 1 1 A 85 85 PRO CB C 85 33.190 31.889 1.301 1
1 904 . 12 1 1 A 86 86 SER H H 86 8.389 8.331 0.058 1
1 905 . 12 1 1 A 86 86 SER HA H 86 4.175 4.131 0.044 1
1 907 . 12 1 1 A 86 86 SER CA C 86 62.130 61.767 0.363 1
1 908 . 12 1 1 A 86 86 SER CB C 86 63.080 62.649 0.431 1
1 909 . 12 1 1 A 86 86 SER N N 86 122.195 114.267 7.928 1
1 910 . 12 1 1 A 87 87 MET H H 87 8.576 8.395 0.181 1
1 911 . 12 1 1 A 87 87 MET HA H 87 4.475 4.563 -0.088 1
1 918 . 12 1 1 A 87 87 MET CA C 87 57.520 58.336 -0.816 1
1 919 . 12 1 1 A 87 87 MET CB C 87 33.210 34.349 -1.139 1
1 922 . 12 1 1 A 87 87 MET N N 87 121.299 118.969 2.330 1
1 923 . 12 1 1 A 88 88 TYR H H 88 6.778 8.058 -1.280 1
1 924 . 12 1 1 A 88 88 TYR HA H 88 5.023 5.261 -0.238 1
1 931 . 12 1 1 A 88 88 TYR CA C 88 56.300 56.863 -0.563 1
1 932 . 12 1 1 A 88 88 TYR CB C 88 42.530 42.239 0.291 1
1 935 . 12 1 1 A 88 88 TYR N N 88 113.420 114.965 -1.545 1
1 936 . 12 1 1 A 89 89 GLN H H 89 9.567 9.162 0.405 1
1 937 . 12 1 1 A 89 89 GLN HA H 89 4.857 5.128 -0.271 1
1 944 . 12 1 1 A 89 89 GLN CA C 89 55.870 54.077 1.793 1
1 945 . 12 1 1 A 89 89 GLN CB C 89 30.430 32.390 -1.960 1
1 947 . 12 1 1 A 89 89 GLN N N 89 115.440 119.072 -3.632 1
1 949 . 12 1 1 A 90 90 ARG H H 90 8.772 8.556 0.216 1
1 950 . 12 1 1 A 90 90 ARG HA H 90 4.499 4.263 0.236 1
1 958 . 12 1 1 A 90 90 ARG CA C 90 56.620 56.075 0.545 1
1 959 . 12 1 1 A 90 90 ARG CB C 90 29.020 30.375 -1.355 1
1 962 . 12 1 1 A 90 90 ARG N N 90 123.860 123.196 0.664 1
1 964 . 12 1 1 A 91 91 THR H H 91 9.217 9.285 -0.068 1
1 965 . 12 1 1 A 91 91 THR HA H 91 4.518 4.958 -0.440 1
1 970 . 12 1 1 A 91 91 THR CA C 91 60.570 60.698 -0.128 1
1 971 . 12 1 1 A 91 91 THR CB C 91 71.050 72.337 -1.287 1
1 973 . 12 1 1 A 91 91 THR N N 91 125.064 122.002 3.062 1
1 974 . 12 1 1 A 92 92 ALA H H 92 8.655 8.916 -0.261 1
1 975 . 12 1 1 A 92 92 ALA HA H 92 5.041 5.492 -0.451 1
1 979 . 12 1 1 A 92 92 ALA CA C 92 51.320 49.974 1.346 1
1 980 . 12 1 1 A 92 92 ALA CB C 92 19.480 22.783 -3.303 1
1 981 . 12 1 1 A 92 92 ALA N N 92 126.963 124.748 2.215 1
1 982 . 12 1 1 A 93 93 LEU H H 93 9.005 8.394 0.611 1
1 983 . 12 1 1 A 93 93 LEU HA H 93 4.720 4.993 -0.273 1
1 993 . 12 1 1 A 93 93 LEU CA C 93 53.750 53.789 -0.039 1
1 994 . 12 1 1 A 93 93 LEU CB C 93 45.340 45.345 -0.005 1
1 998 . 12 1 1 A 93 93 LEU N N 93 122.440 117.732 4.708 1
1 999 . 12 1 1 A 94 94 GLN H H 94 8.360 8.828 -0.468 1
1 1000 . 12 1 1 A 94 94 GLN HA H 94 4.229 5.045 -0.816 1
1 1005 . 12 1 1 A 94 94 GLN CA C 94 56.040 54.472 1.568 1
1 1006 . 12 1 1 A 94 94 GLN CB C 94 28.780 31.246 -2.466 1
1 1008 . 12 1 1 A 94 94 GLN N N 94 119.357 120.170 -0.813 1
1 1010 . 12 1 1 A 95 95 VAL H H 95 8.612 8.924 -0.312 1
1 1011 . 12 1 1 A 95 95 VAL HA H 95 4.013 4.535 -0.522 1
1 1019 . 12 1 1 A 95 95 VAL CA C 95 61.440 60.246 1.194 1
1 1020 . 12 1 1 A 95 95 VAL CB C 95 35.110 35.176 -0.066 1
1 1023 . 12 1 1 A 95 95 VAL N N 95 126.928 126.158 0.770 1
1 1024 . 12 1 1 A 96 96 GLN H H 96 9.222 8.829 0.393 1
1 1025 . 12 1 1 A 96 96 GLN HA H 96 4.279 4.693 -0.414 1
1 1032 . 12 1 1 A 96 96 GLN CA C 96 55.150 54.918 0.232 1
1 1033 . 12 1 1 A 96 96 GLN CB C 96 29.100 30.046 -0.946 1
1 1035 . 12 1 1 A 96 96 GLN N N 96 128.360 126.238 2.122 1
1 1037 . 12 1 1 A 97 97 VAL H H 97 8.233 8.235 -0.002 1
1 1038 . 12 1 1 A 97 97 VAL HA H 97 3.674 4.514 -0.840 1
1 1046 . 12 1 1 A 97 97 VAL CA C 97 64.040 61.175 2.865 1
1 1047 . 12 1 1 A 97 97 VAL CB C 97 31.920 32.695 -0.775 1
1 1050 . 12 1 1 A 97 97 VAL N N 97 128.120 125.265 2.855 1
1 1051 . 12 1 1 A 98 98 LEU H H 98 8.880 8.732 0.148 1
1 1052 . 12 1 1 A 98 98 LEU HA H 98 4.472 4.203 0.269 1
1 1059 . 12 1 1 A 98 98 LEU CA C 98 55.641 56.388 -0.747 1
1 1060 . 12 1 1 A 98 98 LEU CB C 98 42.510 42.958 -0.448 1
1 1063 . 12 1 1 A 98 98 LEU N N 98 128.877 131.089 -2.212 1
1 1064 . 12 1 1 A 99 99 GLU H H 99 7.682 7.466 0.216 1
1 1065 . 12 1 1 A 99 99 GLU HA H 99 4.403 4.751 -0.348 1
1 1070 . 12 1 1 A 99 99 GLU CA C 99 56.310 56.033 0.277 1
1 1071 . 12 1 1 A 99 99 GLU CB C 99 32.790 33.221 -0.431 1
1 1073 . 12 1 1 A 99 99 GLU N N 99 118.210 116.801 1.409 1
1 1074 . 12 1 1 A 100 100 TRP H H 100 8.883 8.811 0.072 1
1 1075 . 12 1 1 A 100 100 TRP HA H 100 5.205 5.076 0.129 1
1 1084 . 12 1 1 A 100 100 TRP CA C 100 55.982 56.246 -0.264 1
1 1085 . 12 1 1 A 100 100 TRP CB C 100 32.430 32.181 0.249 1
1 1091 . 12 1 1 A 100 100 TRP N N 100 126.421 127.221 -0.800 1
1 1093 . 12 1 1 A 101 101 GLU H H 101 8.116 8.188 -0.072 1
1 1094 . 12 1 1 A 101 101 GLU HA H 101 4.462 4.591 -0.129 1
1 1098 . 12 1 1 A 101 101 GLU CA C 101 55.050 55.917 -0.867 1
1 1099 . 12 1 1 A 101 101 GLU CB C 101 30.950 29.190 1.760 1
1 1101 . 12 1 1 A 101 101 GLU N N 101 128.535 126.753 1.782 1
1 1102 . 12 1 1 A 102 102 GLY H H 102 7.614 8.159 -0.545 1
1 1103 . 12 1 1 A 102 102 GLY HA2 H 102 3.853 3.993 -0.140 1
1 1104 . 12 1 1 A 102 102 GLY HA3 H 102 3.905 4.069 -0.164 1
1 1105 . 12 1 1 A 102 102 GLY CA C 102 44.440 43.746 0.694 1
1 1106 . 12 1 1 A 102 102 GLY N N 102 108.953 111.532 -2.579 1
1 1107 . 12 1 1 A 103 103 ASP H H 103 8.261 8.472 -0.211 1
1 1108 . 12 1 1 A 103 103 ASP HA H 103 4.641 4.670 -0.029 1
1 1111 . 12 1 1 A 103 103 ASP CA C 103 54.530 55.174 -0.644 1
1 1112 . 12 1 1 A 103 103 ASP CB C 103 41.690 41.351 0.339 1
1 1113 . 12 1 1 A 103 103 ASP N N 103 118.730 120.859 -2.129 1
1 1114 . 12 1 1 A 104 104 GLY H H 104 8.526 9.004 -0.478 1
1 1115 . 12 1 1 A 104 104 GLY HA2 H 104 3.719 3.988 -0.269 1
1 1116 . 12 1 1 A 104 104 GLY HA3 H 104 3.892 4.104 -0.212 1
1 1117 . 12 1 1 A 104 104 GLY CA C 104 45.960 46.729 -0.769 1
1 1118 . 12 1 1 A 104 104 GLY N N 104 109.230 113.755 -4.525 1
1 1119 . 12 1 1 A 105 105 ASP H H 105 7.806 7.992 -0.186 1
1 1120 . 12 1 1 A 105 105 ASP HA H 105 3.381 4.291 -0.910 1
1 1123 . 12 1 1 A 105 105 ASP CA C 105 51.020 50.347 0.673 1
1 1124 . 12 1 1 A 105 105 ASP CB C 105 41.406 40.759 0.647 1
1 1125 . 12 1 1 A 105 105 ASP N N 105 119.739 120.196 -0.457 1
1 1126 . 12 1 1 A 106 106 PRO HA H 106 4.065 4.191 -0.126 1
1 1133 . 12 1 1 A 106 106 PRO CA C 106 62.970 63.243 -0.273 1
1 1134 . 12 1 1 A 106 106 PRO CB C 106 31.660 31.619 0.041 1
1 1137 . 12 1 1 A 107 107 GLY H H 107 7.863 8.180 -0.317 1
1 1138 . 12 1 1 A 107 107 GLY HA2 H 107 3.401 3.880 -0.479 1
1 1139 . 12 1 1 A 107 107 GLY HA3 H 107 4.103 3.885 0.218 1
1 1140 . 12 1 1 A 107 107 GLY CA C 107 44.170 44.706 -0.536 1
1 1141 . 12 1 1 A 107 107 GLY N N 107 109.610 110.756 -1.146 1
1 1142 . 12 1 1 A 108 108 ASP H H 108 8.171 8.699 -0.528 1
1 1143 . 12 1 1 A 108 108 ASP HA H 108 4.283 4.596 -0.313 1
1 1145 . 12 1 1 A 108 108 ASP CA C 108 56.430 54.913 1.517 1
1 1146 . 12 1 1 A 108 108 ASP CB C 108 41.490 40.998 0.492 1
1 1147 . 12 1 1 A 108 108 ASP N N 108 119.264 122.912 -3.648 1
1 1148 . 12 1 1 A 109 109 SER H H 109 7.560 7.751 -0.191 1
1 1149 . 12 1 1 A 109 109 SER HA H 109 5.188 5.206 -0.018 1
1 1152 . 12 1 1 A 109 109 SER CA C 109 56.740 56.087 0.653 1
1 1153 . 12 1 1 A 109 109 SER CB C 109 65.780 66.359 -0.579 1
1 1154 . 12 1 1 A 109 109 SER N N 109 110.810 112.493 -1.683 1
1 1155 . 12 1 1 A 110 110 VAL H H 110 8.932 9.032 -0.100 1
1 1156 . 12 1 1 A 110 110 VAL HA H 110 4.262 4.766 -0.504 1
1 1164 . 12 1 1 A 110 110 VAL CA C 110 59.470 59.494 -0.024 1
1 1165 . 12 1 1 A 110 110 VAL CB C 110 35.400 35.744 -0.344 1
1 1168 . 12 1 1 A 110 110 VAL N N 110 118.530 120.296 -1.766 1
1 1169 . 12 1 1 A 111 111 GLN H H 111 8.468 8.525 -0.057 1
1 1170 . 12 1 1 A 111 111 GLN HA H 111 4.422 4.611 -0.189 1
1 1177 . 12 1 1 A 111 111 GLN CA C 111 55.960 55.648 0.312 1
1 1178 . 12 1 1 A 111 111 GLN CB C 111 29.470 29.676 -0.206 1
1 1180 . 12 1 1 A 111 111 GLN N N 111 127.378 127.217 0.161 1
1 1182 . 12 1 1 A 112 112 CYS H H 112 8.785 8.404 0.381 1
1 1183 . 12 1 1 A 112 112 CYS HA H 112 4.782 4.924 -0.142 1
1 1186 . 12 1 1 A 112 112 CYS CA C 112 57.100 56.448 0.652 1
1 1187 . 12 1 1 A 112 112 CYS CB C 112 33.700 31.963 1.737 1
1 1188 . 12 1 1 A 112 112 CYS N N 112 122.300 121.829 0.471 1
1 1189 . 12 1 1 A 113 113 PHE H H 113 8.838 8.086 0.752 1
1 1190 . 12 1 1 A 113 113 PHE HA H 113 5.154 5.546 -0.392 1
1 1197 . 12 1 1 A 113 113 PHE CA C 113 58.650 56.845 1.805 1
1 1198 . 12 1 1 A 113 113 PHE CB C 113 40.210 41.899 -1.689 1
1 1201 . 12 1 1 A 113 113 PHE N N 113 118.974 118.531 0.443 1
1 1202 . 12 1 1 A 114 114 VAL H H 114 9.079 8.615 0.464 1
1 1203 . 12 1 1 A 114 114 VAL HA H 114 4.472 4.718 -0.246 1
1 1211 . 12 1 1 A 114 114 VAL CA C 114 60.650 60.799 -0.149 1
1 1212 . 12 1 1 A 114 114 VAL CB C 114 35.970 36.037 -0.067 1
1 1215 . 12 1 1 A 114 114 VAL N N 114 121.660 120.192 1.468 1
1 1216 . 12 1 1 A 115 115 TYR H H 115 9.672 8.792 0.880 1
1 1217 . 12 1 1 A 115 115 TYR HA H 115 4.988 5.316 -0.328 1
1 1224 . 12 1 1 A 115 115 TYR CA C 115 59.240 57.279 1.961 1
1 1225 . 12 1 1 A 115 115 TYR CB C 115 36.925 39.363 -2.438 1
1 1228 . 12 1 1 A 115 115 TYR N N 115 127.830 126.007 1.823 1
1 1229 . 12 1 1 A 116 116 THR H H 116 9.061 9.164 -0.103 1
1 1230 . 12 1 1 A 116 116 THR HA H 116 5.435 5.266 0.169 1
1 1235 . 12 1 1 A 116 116 THR CA C 116 60.130 60.248 -0.118 1
1 1236 . 12 1 1 A 116 116 THR CB C 116 71.910 72.201 -0.291 1
1 1238 . 12 1 1 A 116 116 THR N N 116 119.130 114.999 4.131 1
1 1239 . 12 1 1 A 117 117 THR H H 117 8.707 9.181 -0.474 1
1 1240 . 12 1 1 A 117 117 THR HA H 117 5.561 4.858 0.703 1
1 1245 . 12 1 1 A 117 117 THR CA C 117 60.160 61.328 -1.168 1
1 1246 . 12 1 1 A 117 117 THR CB C 117 70.170 70.813 -0.643 1
1 1248 . 12 1 1 A 117 117 THR N N 117 111.190 118.542 -7.352 1
1 1249 . 12 1 1 A 118 118 ALA H H 118 9.257 8.193 1.064 1
1 1250 . 12 1 1 A 118 118 ALA HA H 118 5.033 4.857 0.176 1
1 1254 . 12 1 1 A 118 118 ALA CA C 118 51.550 51.673 -0.123 1
1 1255 . 12 1 1 A 118 118 ALA CB C 118 20.050 19.825 0.225 1
1 1256 . 12 1 1 A 118 118 ALA N N 118 132.010 129.411 2.599 1
1 1257 . 12 1 1 A 119 119 THR H H 119 8.628 7.463 1.165 1
1 1258 . 12 1 1 A 119 119 THR HA H 119 4.143 4.302 -0.159 1
1 1263 . 12 1 1 A 119 119 THR CA C 119 60.090 60.442 -0.352 1
1 1264 . 12 1 1 A 119 119 THR CB C 119 68.056 68.884 -0.828 1
1 1266 . 12 1 1 A 119 119 THR N N 119 114.350 105.968 8.382 1
1 1267 . 12 1 1 A 120 120 TYR H H 120 6.281 6.969 -0.688 1
1 1268 . 12 1 1 A 120 120 TYR HA H 120 3.594 3.919 -0.325 1
1 1273 . 12 1 1 A 120 120 TYR CA C 120 53.530 57.394 -3.864 1
1 1274 . 12 1 1 A 120 120 TYR CB C 120 40.072 39.724 0.348 1
1 1276 . 12 1 1 A 120 120 TYR N N 120 117.205 121.155 -3.950 1
1 1277 . 12 1 1 A 121 121 ALA HA H 121 5.030 4.287 0.743 1
1 1278 . 12 1 1 A 121 121 ALA CA C 121 51.536 50.450 1.086 1
1 1279 . 12 1 1 A 122 122 PRO HA H 122 4.059 4.469 -0.410 1
1 1285 . 12 1 1 A 122 122 PRO CA C 122 65.435 64.575 0.860 1
1 1286 . 12 1 1 A 122 122 PRO CB C 122 31.680 32.053 -0.373 1
1 1289 . 12 1 1 A 123 123 GLU H H 123 9.336 9.076 0.260 1
1 1290 . 12 1 1 A 123 123 GLU HA H 123 4.169 4.508 -0.339 1
1 1294 . 12 1 1 A 123 123 GLU CA C 123 59.100 59.009 0.091 1
1 1295 . 12 1 1 A 123 123 GLU CB C 123 27.940 28.735 -0.795 1
1 1297 . 12 1 1 A 123 123 GLU N N 123 115.528 115.884 -0.356 1
1 1298 . 12 1 1 A 124 124 TRP H H 124 8.560 7.768 0.792 1
1 1299 . 12 1 1 A 124 124 TRP HA H 124 4.671 4.699 -0.028 1
1 1308 . 12 1 1 A 124 124 TRP CA C 124 57.370 60.315 -2.945 1
1 1309 . 12 1 1 A 124 124 TRP CB C 124 28.310 28.489 -0.179 1
1 1315 . 12 1 1 A 124 124 TRP N N 124 123.431 119.715 3.716 1
1 1317 . 12 1 1 A 125 125 LEU H H 125 7.378 7.952 -0.574 1
1 1318 . 12 1 1 A 125 125 LEU HA H 125 4.065 4.143 -0.078 1
1 1328 . 12 1 1 A 125 125 LEU CA C 125 56.060 57.270 -1.210 1
1 1329 . 12 1 1 A 125 125 LEU CB C 125 41.220 41.304 -0.084 1
1 1333 . 12 1 1 A 125 125 LEU N N 125 113.660 120.941 -7.281 1
1 1334 . 12 1 1 A 126 126 PHE H H 126 7.415 7.609 -0.194 1
1 1335 . 12 1 1 A 126 126 PHE HA H 126 4.640 4.569 0.071 1
1 1342 . 12 1 1 A 126 126 PHE CA C 126 56.940 58.655 -1.715 1
1 1343 . 12 1 1 A 126 126 PHE CB C 126 38.670 39.206 -0.536 1
1 1346 . 12 1 1 A 126 126 PHE N N 126 116.360 115.705 0.655 1
1 1347 . 12 1 1 A 127 127 LEU H H 127 7.168 7.337 -0.169 1
1 1348 . 12 1 1 A 127 127 LEU HA H 127 4.529 4.453 0.076 1
1 1358 . 12 1 1 A 127 127 LEU CA C 127 53.580 53.764 -0.184 1
1 1359 . 12 1 1 A 127 127 LEU CB C 127 40.832 41.232 -0.400 1
1 1363 . 12 1 1 A 127 127 LEU N N 127 122.990 121.446 1.544 1
1 1364 . 12 1 1 A 128 128 PRO HA H 128 3.986 4.478 -0.492 1
1 1371 . 12 1 1 A 128 128 PRO CA C 128 63.140 62.523 0.617 1
1 1372 . 12 1 1 A 128 128 PRO CB C 128 31.993 32.502 -0.509 1
1 1375 . 12 1 1 A 129 129 TYR H H 129 8.070 8.256 -0.186 1
1 1376 . 12 1 1 A 129 129 TYR HA H 129 5.529 5.467 0.062 1
1 1383 . 12 1 1 A 129 129 TYR CA C 129 52.486 57.429 -4.943 1
1 1384 . 12 1 1 A 129 129 TYR CB C 129 36.760 41.840 -5.080 1
1 1387 . 12 1 1 A 129 129 TYR N N 129 120.100 120.467 -0.367 1
1 1388 . 12 1 1 A 130 130 HIS H H 130 9.193 8.906 0.287 1
1 1389 . 12 1 1 A 130 130 HIS HA H 130 4.733 5.228 -0.495 1
1 1393 . 12 1 1 A 130 130 HIS CA C 130 55.920 55.078 0.842 1
1 1394 . 12 1 1 A 130 130 HIS CB C 130 32.908 34.584 -1.676 1
1 1396 . 12 1 1 A 130 130 HIS N N 130 121.985 118.737 3.248 1
1 1397 . 12 1 1 A 131 131 GLU H H 131 9.093 9.201 -0.108 1
1 1398 . 12 1 1 A 131 131 GLU HA H 131 4.277 4.557 -0.280 1
1 1402 . 12 1 1 A 131 131 GLU CA C 131 58.110 56.940 1.170 1
1 1403 . 12 1 1 A 131 131 GLU CB C 131 30.700 32.407 -1.707 1
1 1405 . 12 1 1 A 131 131 GLU N N 131 122.150 121.867 0.283 1
1 1406 . 12 1 1 A 132 132 SER H H 132 7.621 7.831 -0.210 1
1 1407 . 12 1 1 A 132 132 SER HA H 132 4.686 4.990 -0.304 1
1 1410 . 12 1 1 A 132 132 SER CA C 132 56.340 57.821 -1.481 1
1 1411 . 12 1 1 A 132 132 SER CB C 132 65.050 66.437 -1.387 1
1 1412 . 12 1 1 A 132 132 SER N N 132 108.030 113.039 -5.009 1
1 1413 . 12 1 1 A 133 133 TYR H H 133 8.667 8.978 -0.311 1
1 1414 . 12 1 1 A 133 133 TYR HA H 133 4.564 4.863 -0.299 1
1 1419 . 12 1 1 A 133 133 TYR CA C 133 57.910 58.305 -0.395 1
1 1420 . 12 1 1 A 133 133 TYR CB C 133 40.720 39.810 0.910 1
1 1422 . 12 1 1 A 133 133 TYR N N 133 121.977 127.460 -5.483 1
1 1423 . 12 1 1 A 134 134 ASP H H 134 7.303 8.098 -0.795 1
1 1424 . 12 1 1 A 134 134 ASP HA H 134 3.944 4.812 -0.868 1
1 1427 . 12 1 1 A 134 134 ASP CA C 134 52.540 53.061 -0.521 1
1 1428 . 12 1 1 A 134 134 ASP CB C 134 42.900 43.934 -1.034 1
1 1429 . 12 1 1 A 134 134 ASP N N 134 127.820 127.635 0.185 1
1 1430 . 12 1 1 A 135 135 SER H H 135 9.392 8.422 0.970 1
1 1431 . 12 1 1 A 135 135 SER HA H 135 3.945 4.109 -0.164 1
1 1434 . 12 1 1 A 135 135 SER CA C 135 61.770 61.331 0.439 1
1 1435 . 12 1 1 A 135 135 SER CB C 135 63.561 62.760 0.801 1
1 1436 . 12 1 1 A 135 135 SER N N 135 127.670 119.196 8.474 1
1 1437 . 12 1 1 A 136 136 GLU H H 136 7.546 7.777 -0.231 1
1 1438 . 12 1 1 A 136 136 GLU HA H 136 4.233 4.461 -0.228 1
1 1443 . 12 1 1 A 136 136 GLU CA C 136 54.796 56.020 -1.224 1
1 1444 . 12 1 1 A 136 136 GLU CB C 136 28.420 28.134 0.286 1
1 1446 . 12 1 1 A 136 136 GLU N N 136 113.107 117.737 -4.630 1
1 1447 . 12 1 1 A 137 137 GLY H H 137 7.241 8.185 -0.944 1
1 1448 . 12 1 1 A 137 137 GLY HA2 H 137 3.994 4.151 -0.157 1
1 1449 . 12 1 1 A 137 137 GLY HA3 H 137 3.503 4.155 -0.652 1
1 1450 . 12 1 1 A 137 137 GLY CA C 137 44.880 44.776 0.104 1
1 1451 . 12 1 1 A 137 137 GLY N N 137 104.690 110.564 -5.874 1
1 1452 . 12 1 1 A 138 138 PRO HA H 138 4.211 4.357 -0.146 1
1 1459 . 12 1 1 A 138 138 PRO CA C 138 64.830 64.040 0.790 1
1 1460 . 12 1 1 A 138 138 PRO CB C 138 31.180 31.943 -0.763 1
1 1463 . 12 1 1 A 139 139 HIS H H 139 6.414 7.839 -1.425 1
1 1464 . 12 1 1 A 139 139 HIS HA H 139 4.299 4.374 -0.075 1
1 1467 . 12 1 1 A 139 139 HIS CA C 139 55.080 58.613 -3.533 1
1 1468 . 12 1 1 A 139 139 HIS CB C 139 30.260 30.178 0.082 1
1 1470 . 12 1 1 A 139 139 HIS N N 139 116.498 116.006 0.492 1
1 1471 . 12 1 1 A 140 140 GLY H H 140 7.082 8.106 -1.024 1
1 1472 . 12 1 1 A 140 140 GLY HA2 H 140 3.919 3.946 -0.027 1
1 1473 . 12 1 1 A 140 140 GLY HA3 H 140 3.721 3.959 -0.238 1
1 1474 . 12 1 1 A 140 140 GLY CA C 140 46.590 45.480 1.110 1
1 1475 . 12 1 1 A 140 140 GLY N N 140 108.485 107.482 1.003 1
1 1476 . 12 1 1 A 141 141 LEU HA H 141 4.451 4.365 0.086 1
1 1483 . 12 1 1 A 141 141 LEU CA C 141 53.024 54.441 -1.417 1
1 1484 . 12 1 1 A 141 141 LEU CB C 141 39.500 41.085 -1.585 1
1 1487 . 12 1 1 A 142 142 ARG H H 142 7.472 8.131 -0.659 1
1 1488 . 12 1 1 A 142 142 ARG HA H 142 4.724 5.005 -0.281 1
1 1493 . 12 1 1 A 142 142 ARG CA C 142 55.940 54.143 1.797 1
1 1494 . 12 1 1 A 142 142 ARG CB C 142 31.070 32.973 -1.903 1
1 1497 . 12 1 1 A 142 142 ARG N N 142 121.987 122.802 -0.815 1
1 1499 . 12 1 1 A 143 143 TYR H H 143 8.487 9.203 -0.716 1
1 1500 . 12 1 1 A 143 143 TYR HA H 143 4.474 4.747 -0.273 1
1 1507 . 12 1 1 A 143 143 TYR CA C 143 59.015 59.461 -0.446 1
1 1508 . 12 1 1 A 143 143 TYR CB C 143 38.720 39.339 -0.619 1
1 1511 . 12 1 1 A 143 143 TYR N N 143 127.896 122.697 5.199 1
1 1512 . 12 1 1 A 144 144 ASN H H 144 7.805 6.821 0.984 1
1 1513 . 12 1 1 A 144 144 ASN HA H 144 4.892 4.922 -0.030 1
1 1518 . 12 1 1 A 144 144 ASN CA C 144 50.120 50.312 -0.192 1
1 1519 . 12 1 1 A 144 144 ASN CB C 144 39.360 38.212 1.148 1
1 1520 . 12 1 1 A 144 144 ASN N N 144 125.629 121.410 4.219 1
1 1522 . 12 1 1 A 145 145 PRO HA H 145 3.975 4.591 -0.616 1
1 1528 . 12 1 1 A 145 145 PRO CA C 145 63.140 64.168 -1.028 1
1 1529 . 12 1 1 A 145 145 PRO CB C 145 32.386 31.925 0.461 1
1 1532 . 12 1 1 A 146 146 ARG H H 146 8.055 7.762 0.293 1
1 1533 . 12 1 1 A 146 146 ARG HA H 146 3.918 4.609 -0.691 1
1 1541 . 12 1 1 A 146 146 ARG CA C 146 56.740 55.203 1.537 1
1 1542 . 12 1 1 A 146 146 ARG CB C 146 30.430 31.852 -1.422 1
1 1545 . 12 1 1 A 146 146 ARG N N 146 120.069 118.324 1.745 1
1 1547 . 12 1 1 A 147 147 GLU H H 147 8.440 7.930 0.510 1
1 1548 . 12 1 1 A 147 147 GLU HA H 147 4.167 4.104 0.063 1
1 1552 . 12 1 1 A 147 147 GLU CA C 147 56.710 58.666 -1.956 1
1 1553 . 12 1 1 A 147 147 GLU CB C 147 30.150 29.932 0.218 1
1 1555 . 12 1 1 A 147 147 GLU N N 147 120.760 120.768 -0.008 1
1 1556 . 12 1 1 A 148 148 ASN H H 148 8.363 7.827 0.536 1
1 1557 . 12 1 1 A 148 148 ASN HA H 148 4.652 4.857 -0.205 1
1 1562 . 12 1 1 A 148 148 ASN CA C 148 53.240 52.145 1.095 1
1 1563 . 12 1 1 A 148 148 ASN CB C 148 38.840 39.623 -0.783 1
1 1564 . 12 1 1 A 148 148 ASN N N 148 120.210 114.581 5.629 1
1 1 . 13 1 1 A 2 2 ALA HA H 2 4.182 4.870 -0.688 1
1 5 . 13 1 1 A 2 2 ALA CA C 2 51.510 50.790 0.720 1
1 6 . 13 1 1 A 2 2 ALA CB C 2 20.090 23.691 -3.601 1
1 7 . 13 1 1 A 3 3 HIS H H 3 9.173 8.553 0.620 1
1 8 . 13 1 1 A 3 3 HIS HA H 3 5.839 5.453 0.386 1
1 12 . 13 1 1 A 3 3 HIS CA C 3 56.960 54.654 2.306 1
1 13 . 13 1 1 A 3 3 HIS CB C 3 32.820 33.790 -0.970 1
1 15 . 13 1 1 A 3 3 HIS N N 3 118.801 113.949 4.852 1
1 16 . 13 1 1 A 4 4 ILE H H 4 9.494 9.200 0.294 1
1 17 . 13 1 1 A 4 4 ILE HA H 4 5.508 5.387 0.121 1
1 27 . 13 1 1 A 4 4 ILE CA C 4 58.300 59.401 -1.101 1
1 28 . 13 1 1 A 4 4 ILE CB C 4 41.930 42.883 -0.953 1
1 32 . 13 1 1 A 4 4 ILE N N 4 118.202 116.593 1.609 1
1 33 . 13 1 1 A 5 5 PHE H H 5 8.815 8.758 0.057 1
1 34 . 13 1 1 A 5 5 PHE HA H 5 5.789 5.499 0.290 1
1 42 . 13 1 1 A 5 5 PHE CA C 5 55.153 56.571 -1.418 1
1 43 . 13 1 1 A 5 5 PHE CB C 5 40.740 42.621 -1.881 1
1 47 . 13 1 1 A 5 5 PHE N N 5 126.107 123.331 2.776 1
1 48 . 13 1 1 A 6 6 VAL H H 6 9.078 8.261 0.817 1
1 49 . 13 1 1 A 6 6 VAL HA H 6 4.357 4.120 0.237 1
1 57 . 13 1 1 A 6 6 VAL CA C 6 59.157 61.798 -2.641 1
1 58 . 13 1 1 A 6 6 VAL CB C 6 33.473 32.369 1.104 1
1 61 . 13 1 1 A 6 6 VAL N N 6 118.658 122.053 -3.395 1
1 62 . 13 1 1 A 7 7 TYR H H 7 6.878 8.331 -1.453 1
1 63 . 13 1 1 A 7 7 TYR HA H 7 4.170 4.564 -0.394 1
1 66 . 13 1 1 A 7 7 TYR CB C 7 36.608 39.308 -2.700 1
1 67 . 13 1 1 A 7 7 TYR N N 7 116.860 123.189 -6.329 1
1 68 . 13 1 1 A 8 8 GLY HA2 H 8 4.195 3.989 0.206 1
1 69 . 13 1 1 A 8 8 GLY HA3 H 8 2.933 4.146 -1.213 1
1 70 . 13 1 1 A 8 8 GLY CA C 8 46.169 45.288 0.881 1
1 71 . 13 1 1 A 9 9 THR H H 9 7.618 7.685 -0.067 1
1 72 . 13 1 1 A 9 9 THR HA H 9 3.831 4.335 -0.504 1
1 77 . 13 1 1 A 9 9 THR CA C 9 64.570 63.438 1.132 1
1 78 . 13 1 1 A 9 9 THR CB C 9 68.494 69.282 -0.788 1
1 80 . 13 1 1 A 9 9 THR N N 9 115.934 113.337 2.597 1
1 81 . 13 1 1 A 10 10 LEU H H 10 7.561 7.524 0.037 1
1 82 . 13 1 1 A 10 10 LEU HA H 10 3.673 4.372 -0.699 1
1 92 . 13 1 1 A 10 10 LEU CA C 10 55.950 53.143 2.807 1
1 93 . 13 1 1 A 10 10 LEU CB C 10 41.610 42.226 -0.616 1
1 97 . 13 1 1 A 10 10 LEU N N 10 120.151 121.147 -0.996 1
1 98 . 13 1 1 A 11 11 LYS H H 11 6.738 7.481 -0.743 1
1 99 . 13 1 1 A 11 11 LYS HA H 11 4.007 4.451 -0.444 1
1 103 . 13 1 1 A 11 11 LYS CA C 11 57.390 57.515 -0.125 1
1 104 . 13 1 1 A 11 11 LYS CB C 11 34.322 34.178 0.144 1
1 106 . 13 1 1 A 11 11 LYS N N 11 116.295 121.394 -5.099 1
1 107 . 13 1 1 A 12 12 ARG H H 12 9.432 8.445 0.987 1
1 108 . 13 1 1 A 12 12 ARG HA H 12 2.029 4.174 -2.145 1
1 115 . 13 1 1 A 12 12 ARG CA C 12 58.420 58.724 -0.304 1
1 116 . 13 1 1 A 12 12 ARG CB C 12 29.190 30.704 -1.514 1
1 119 . 13 1 1 A 12 12 ARG N N 12 120.863 120.243 0.620 1
1 120 . 13 1 1 A 13 13 GLY H H 13 8.048 7.434 0.614 1
1 121 . 13 1 1 A 13 13 GLY HA2 H 13 3.990 4.108 -0.118 1
1 122 . 13 1 1 A 13 13 GLY HA3 H 13 3.538 4.154 -0.616 1
1 123 . 13 1 1 A 13 13 GLY CA C 13 45.490 45.723 -0.233 1
1 124 . 13 1 1 A 13 13 GLY N N 13 111.120 104.482 6.638 1
1 125 . 13 1 1 A 14 14 GLN H H 14 7.904 7.650 0.254 1
1 126 . 13 1 1 A 14 14 GLN HA H 14 4.682 4.489 0.193 1
1 133 . 13 1 1 A 14 14 GLN CA C 14 53.440 54.566 -1.126 1
1 134 . 13 1 1 A 14 14 GLN CB C 14 27.115 28.163 -1.048 1
1 136 . 13 1 1 A 14 14 GLN N N 14 117.811 120.125 -2.314 1
1 138 . 13 1 1 A 15 15 PRO HA H 15 4.342 4.487 -0.145 1
1 145 . 13 1 1 A 15 15 PRO CA C 15 66.870 64.414 2.456 1
1 146 . 13 1 1 A 15 15 PRO CB C 15 34.060 31.876 2.184 1
1 149 . 13 1 1 A 16 16 ASN H H 16 8.287 8.580 -0.293 1
1 150 . 13 1 1 A 16 16 ASN HA H 16 5.356 4.867 0.489 1
1 155 . 13 1 1 A 16 16 ASN CA C 16 52.230 54.335 -2.105 1
1 156 . 13 1 1 A 16 16 ASN CB C 16 39.030 39.188 -0.158 1
1 157 . 13 1 1 A 16 16 ASN N N 16 110.638 115.980 -5.342 1
1 159 . 13 1 1 A 17 17 HIS H H 17 7.819 8.371 -0.552 1
1 160 . 13 1 1 A 17 17 HIS HA H 17 3.815 4.145 -0.330 1
1 164 . 13 1 1 A 17 17 HIS CA C 17 60.140 60.108 0.032 1
1 165 . 13 1 1 A 17 17 HIS CB C 17 27.680 29.679 -1.999 1
1 167 . 13 1 1 A 17 17 HIS N N 17 121.058 120.999 0.059 1
1 168 . 13 1 1 A 18 18 LYS H H 18 8.326 8.114 0.212 1
1 169 . 13 1 1 A 18 18 LYS HA H 18 3.695 3.968 -0.273 1
1 175 . 13 1 1 A 18 18 LYS CA C 18 58.890 58.729 0.161 1
1 176 . 13 1 1 A 18 18 LYS CB C 18 31.070 31.797 -0.727 1
1 180 . 13 1 1 A 18 18 LYS N N 18 112.812 117.298 -4.486 1
1 181 . 13 1 1 A 19 19 VAL H H 19 7.373 7.743 -0.370 1
1 182 . 13 1 1 A 19 19 VAL HA H 19 3.816 3.856 -0.040 1
1 190 . 13 1 1 A 19 19 VAL CA C 19 64.960 65.274 -0.314 1
1 191 . 13 1 1 A 19 19 VAL CB C 19 30.960 31.303 -0.343 1
1 194 . 13 1 1 A 19 19 VAL N N 19 117.691 115.927 1.764 1
1 195 . 13 1 1 A 20 20 MET H H 20 7.329 8.155 -0.826 1
1 196 . 13 1 1 A 20 20 MET HA H 20 3.951 4.298 -0.347 1
1 204 . 13 1 1 A 20 20 MET CA C 20 55.560 57.391 -1.831 1
1 205 . 13 1 1 A 20 20 MET CB C 20 31.460 31.923 -0.463 1
1 208 . 13 1 1 A 20 20 MET N N 20 114.870 118.958 -4.088 1
1 209 . 13 1 1 A 21 21 LEU H H 21 6.718 7.443 -0.725 1
1 210 . 13 1 1 A 21 21 LEU HA H 21 4.091 4.369 -0.278 1
1 220 . 13 1 1 A 21 21 LEU CA C 21 54.140 54.507 -0.367 1
1 221 . 13 1 1 A 21 21 LEU CB C 21 42.310 41.597 0.713 1
1 225 . 13 1 1 A 21 21 LEU N N 21 116.021 117.762 -1.741 1
1 226 . 13 1 1 A 22 22 ASP H H 22 6.399 7.217 -0.818 1
1 227 . 13 1 1 A 22 22 ASP HA H 22 4.288 4.697 -0.409 1
1 229 . 13 1 1 A 22 22 ASP CA C 22 52.776 52.703 0.073 1
1 230 . 13 1 1 A 22 22 ASP CB C 22 40.180 40.959 -0.779 1
1 231 . 13 1 1 A 22 22 ASP N N 22 117.972 120.340 -2.368 1
1 232 . 13 1 1 A 23 23 HIS H H 23 8.601 8.728 -0.127 1
1 233 . 13 1 1 A 23 23 HIS HA H 23 4.848 4.230 0.618 1
1 237 . 13 1 1 A 23 23 HIS CA C 23 55.800 59.254 -3.454 1
1 238 . 13 1 1 A 23 23 HIS CB C 23 27.860 30.010 -2.150 1
1 240 . 13 1 1 A 23 23 HIS N N 23 123.395 125.940 -2.545 1
1 241 . 13 1 1 A 24 24 SER H H 24 8.526 8.093 0.433 1
1 242 . 13 1 1 A 24 24 SER HA H 24 4.105 4.008 0.097 1
1 244 . 13 1 1 A 24 24 SER CA C 24 60.870 61.397 -0.527 1
1 245 . 13 1 1 A 24 24 SER CB C 24 62.510 63.046 -0.536 1
1 246 . 13 1 1 A 24 24 SER N N 24 117.035 114.999 2.036 1
1 247 . 13 1 1 A 25 25 HIS H H 25 7.450 7.822 -0.372 1
1 248 . 13 1 1 A 25 25 HIS HA H 25 4.494 3.905 0.589 1
1 252 . 13 1 1 A 25 25 HIS CA C 25 53.900 57.950 -4.050 1
1 253 . 13 1 1 A 25 25 HIS CB C 25 28.320 29.340 -1.020 1
1 255 . 13 1 1 A 25 25 HIS N N 25 117.560 117.314 0.246 1
1 256 . 13 1 1 A 26 26 GLY H H 26 6.926 6.695 0.231 1
1 257 . 13 1 1 A 26 26 GLY HA2 H 26 3.587 3.828 -0.241 1
1 258 . 13 1 1 A 26 26 GLY HA3 H 26 4.362 3.943 0.419 1
1 259 . 13 1 1 A 26 26 GLY CA C 26 43.730 44.662 -0.932 1
1 260 . 13 1 1 A 26 26 GLY N N 26 103.120 104.948 -1.828 1
1 261 . 13 1 1 A 27 27 LEU H H 27 8.579 8.685 -0.106 1
1 262 . 13 1 1 A 27 27 LEU HA H 27 4.327 4.853 -0.526 1
1 271 . 13 1 1 A 27 27 LEU CA C 27 54.520 54.903 -0.383 1
1 272 . 13 1 1 A 27 27 LEU CB C 27 44.250 43.124 1.126 1
1 276 . 13 1 1 A 27 27 LEU N N 27 121.940 121.197 0.743 1
1 277 . 13 1 1 A 28 28 ALA H H 28 7.776 8.644 -0.868 1
1 278 . 13 1 1 A 28 28 ALA HA H 28 5.231 5.218 0.013 1
1 282 . 13 1 1 A 28 28 ALA CA C 28 50.990 51.260 -0.270 1
1 283 . 13 1 1 A 28 28 ALA CB C 28 22.580 20.394 2.186 1
1 284 . 13 1 1 A 28 28 ALA N N 28 123.020 128.668 -5.648 1
1 285 . 13 1 1 A 29 29 ALA H H 29 9.231 9.280 -0.049 1
1 286 . 13 1 1 A 29 29 ALA HA H 29 4.857 5.408 -0.551 1
1 290 . 13 1 1 A 29 29 ALA CA C 29 50.661 50.187 0.474 1
1 291 . 13 1 1 A 29 29 ALA CB C 29 21.140 21.162 -0.022 1
1 292 . 13 1 1 A 29 29 ALA N N 29 125.760 126.570 -0.810 1
1 293 . 13 1 1 A 30 30 PHE H H 30 9.083 9.029 0.054 1
1 294 . 13 1 1 A 30 30 PHE HA H 30 3.397 4.414 -1.017 1
1 301 . 13 1 1 A 30 30 PHE CA C 30 59.895 56.403 3.492 1
1 302 . 13 1 1 A 30 30 PHE CB C 30 38.810 38.286 0.524 1
1 305 . 13 1 1 A 30 30 PHE N N 30 126.590 124.062 2.528 1
1 306 . 13 1 1 A 31 31 ARG H H 31 8.102 8.342 -0.240 1
1 307 . 13 1 1 A 31 31 ARG HA H 31 3.941 4.049 -0.108 1
1 314 . 13 1 1 A 31 31 ARG CA C 31 53.120 54.446 -1.326 1
1 315 . 13 1 1 A 31 31 ARG CB C 31 31.665 28.923 2.742 1
1 318 . 13 1 1 A 31 31 ARG N N 31 125.007 127.468 -2.461 1
1 320 . 13 1 1 A 32 32 GLY H H 32 5.465 7.100 -1.635 1
1 321 . 13 1 1 A 32 32 GLY HA2 H 32 3.264 3.531 -0.267 1
1 322 . 13 1 1 A 32 32 GLY HA3 H 32 4.670 3.809 0.861 1
1 323 . 13 1 1 A 32 32 GLY CA C 32 45.150 44.132 1.018 1
1 324 . 13 1 1 A 32 32 GLY N N 32 101.400 113.234 -11.834 1
1 325 . 13 1 1 A 33 33 ARG H H 33 8.345 8.437 -0.092 1
1 326 . 13 1 1 A 33 33 ARG HA H 33 5.158 5.194 -0.036 1
1 332 . 13 1 1 A 33 33 ARG CA C 33 54.924 54.524 0.400 1
1 333 . 13 1 1 A 33 33 ARG CB C 33 34.180 34.027 0.153 1
1 336 . 13 1 1 A 33 33 ARG N N 33 116.822 119.219 -2.397 1
1 338 . 13 1 1 A 34 34 GLY H H 34 8.549 8.187 0.362 1
1 339 . 13 1 1 A 34 34 GLY HA2 H 34 5.154 4.386 0.768 1
1 340 . 13 1 1 A 34 34 GLY HA3 H 34 3.752 4.443 -0.691 1
1 341 . 13 1 1 A 34 34 GLY CA C 34 45.620 45.931 -0.311 1
1 342 . 13 1 1 A 34 34 GLY N N 34 107.400 108.318 -0.918 1
1 343 . 13 1 1 A 35 35 CYS H H 35 8.803 8.227 0.576 1
1 344 . 13 1 1 A 35 35 CYS HA H 35 5.893 5.671 0.222 1
1 347 . 13 1 1 A 35 35 CYS CA C 35 55.420 57.028 -1.608 1
1 348 . 13 1 1 A 35 35 CYS CB C 35 30.960 31.511 -0.551 1
1 349 . 13 1 1 A 35 35 CYS N N 35 117.781 117.424 0.357 1
1 350 . 13 1 1 A 36 36 THR H H 36 9.033 8.807 0.226 1
1 351 . 13 1 1 A 36 36 THR HA H 36 3.835 4.414 -0.579 1
1 356 . 13 1 1 A 36 36 THR CA C 36 64.160 61.319 2.841 1
1 357 . 13 1 1 A 36 36 THR CB C 36 68.200 69.399 -1.199 1
1 359 . 13 1 1 A 36 36 THR N N 36 117.973 114.393 3.580 1
1 360 . 13 1 1 A 37 37 VAL H H 37 7.545 8.364 -0.819 1
1 361 . 13 1 1 A 37 37 VAL HA H 37 3.709 3.782 -0.073 1
1 369 . 13 1 1 A 37 37 VAL CA C 37 65.740 66.435 -0.695 1
1 370 . 13 1 1 A 37 37 VAL CB C 37 32.410 32.011 0.399 1
1 373 . 13 1 1 A 37 37 VAL N N 37 121.706 125.216 -3.510 1
1 374 . 13 1 1 A 38 38 GLU H H 38 8.540 7.700 0.840 1
1 375 . 13 1 1 A 38 38 GLU HA H 38 4.264 4.126 0.138 1
1 380 . 13 1 1 A 38 38 GLU CA C 38 54.260 56.157 -1.897 1
1 381 . 13 1 1 A 38 38 GLU CB C 38 30.770 30.015 0.755 1
1 383 . 13 1 1 A 38 38 GLU N N 38 119.219 120.252 -1.033 1
1 384 . 13 1 1 A 39 39 SER H H 39 8.692 8.224 0.468 1
1 385 . 13 1 1 A 39 39 SER HA H 39 4.035 4.540 -0.505 1
1 388 . 13 1 1 A 39 39 SER CA C 39 57.370 59.575 -2.205 1
1 389 . 13 1 1 A 39 39 SER CB C 39 63.760 63.770 -0.010 1
1 390 . 13 1 1 A 39 39 SER N N 39 118.941 121.004 -2.063 1
1 391 . 13 1 1 A 40 40 PHE H H 40 8.302 8.459 -0.157 1
1 392 . 13 1 1 A 40 40 PHE HA H 40 4.986 4.898 0.088 1
1 400 . 13 1 1 A 40 40 PHE CA C 40 57.320 55.651 1.669 1
1 401 . 13 1 1 A 40 40 PHE CB C 40 44.292 42.488 1.804 1
1 405 . 13 1 1 A 40 40 PHE N N 40 119.300 122.547 -3.247 1
1 406 . 13 1 1 A 41 41 PRO HA H 41 3.828 4.498 -0.670 1
1 413 . 13 1 1 A 41 41 PRO CA C 41 62.270 62.256 0.014 1
1 414 . 13 1 1 A 41 41 PRO CB C 41 30.790 29.686 1.104 1
1 417 . 13 1 1 A 42 42 LEU H H 42 7.964 8.238 -0.274 1
1 418 . 13 1 1 A 42 42 LEU HA H 42 5.352 4.794 0.558 1
1 427 . 13 1 1 A 42 42 LEU CA C 42 53.830 54.551 -0.721 1
1 428 . 13 1 1 A 42 42 LEU CB C 42 42.380 43.071 -0.691 1
1 431 . 13 1 1 A 42 42 LEU N N 42 129.948 124.320 5.628 1
1 432 . 13 1 1 A 43 43 VAL H H 43 8.607 9.184 -0.577 1
1 433 . 13 1 1 A 43 43 VAL HA H 43 5.296 5.111 0.185 1
1 441 . 13 1 1 A 43 43 VAL CA C 43 58.040 59.856 -1.816 1
1 442 . 13 1 1 A 43 43 VAL CB C 43 35.220 34.706 0.514 1
1 445 . 13 1 1 A 43 43 VAL N N 43 117.190 122.605 -5.415 1
1 446 . 13 1 1 A 44 44 ILE H H 44 9.056 8.851 0.205 1
1 447 . 13 1 1 A 44 44 ILE HA H 44 4.426 4.647 -0.221 1
1 457 . 13 1 1 A 44 44 ILE CA C 44 61.156 60.646 0.510 1
1 458 . 13 1 1 A 44 44 ILE CB C 44 38.544 37.438 1.106 1
1 462 . 13 1 1 A 44 44 ILE N N 44 122.963 127.059 -4.096 1
1 463 . 13 1 1 A 45 45 ALA H H 45 8.701 7.965 0.736 1
1 464 . 13 1 1 A 45 45 ALA HA H 45 4.626 4.678 -0.052 1
1 468 . 13 1 1 A 45 45 ALA CA C 45 51.430 50.582 0.848 1
1 469 . 13 1 1 A 45 45 ALA CB C 45 21.670 20.708 0.962 1
1 470 . 13 1 1 A 45 45 ALA N N 45 126.347 130.471 -4.124 1
1 471 . 13 1 1 A 46 46 GLY H H 46 8.486 8.503 -0.017 1
1 472 . 13 1 1 A 46 46 GLY HA2 H 46 4.587 4.159 0.428 1
1 473 . 13 1 1 A 46 46 GLY HA3 H 46 4.084 4.187 -0.103 1
1 474 . 13 1 1 A 46 46 GLY CA C 46 44.500 44.866 -0.366 1
1 475 . 13 1 1 A 46 46 GLY N N 46 108.262 106.821 1.441 1
1 476 . 13 1 1 A 47 47 GLU H H 47 8.938 8.760 0.178 1
1 477 . 13 1 1 A 47 47 GLU HA H 47 4.003 4.362 -0.359 1
1 480 . 13 1 1 A 47 47 GLU CA C 47 58.820 58.169 0.651 1
1 481 . 13 1 1 A 47 47 GLU CB C 47 29.500 30.087 -0.587 1
1 482 . 13 1 1 A 47 47 GLU N N 47 118.010 120.943 -2.933 1
1 483 . 13 1 1 A 48 48 HIS H H 48 8.742 7.740 1.002 1
1 484 . 13 1 1 A 48 48 HIS HA H 48 4.704 4.612 0.092 1
1 488 . 13 1 1 A 48 48 HIS CA C 48 55.130 55.778 -0.648 1
1 489 . 13 1 1 A 48 48 HIS CB C 48 29.110 30.054 -0.944 1
1 491 . 13 1 1 A 48 48 HIS N N 48 115.306 114.989 0.317 1
1 492 . 13 1 1 A 49 49 ASN H H 49 7.810 8.123 -0.313 1
1 493 . 13 1 1 A 49 49 ASN HA H 49 3.878 4.165 -0.287 1
1 498 . 13 1 1 A 49 49 ASN CA C 49 53.876 54.225 -0.349 1
1 499 . 13 1 1 A 49 49 ASN CB C 49 36.030 36.904 -0.874 1
1 500 . 13 1 1 A 49 49 ASN N N 49 114.919 114.138 0.781 1
1 502 . 13 1 1 A 50 50 ILE H H 50 7.046 7.745 -0.699 1
1 503 . 13 1 1 A 50 50 ILE HA H 50 4.022 4.244 -0.222 1
1 513 . 13 1 1 A 50 50 ILE CA C 50 59.430 57.786 1.644 1
1 514 . 13 1 1 A 50 50 ILE CB C 50 41.326 37.942 3.384 1
1 518 . 13 1 1 A 50 50 ILE N N 50 120.995 119.850 1.145 1
1 519 . 13 1 1 A 51 51 PRO HA H 51 5.194 4.173 1.021 1
1 521 . 13 1 1 A 51 51 PRO CA C 51 60.560 62.518 -1.958 1
1 522 . 13 1 1 A 51 51 PRO CB C 51 31.841 31.764 0.077 1
1 523 . 13 1 1 A 52 52 TRP H H 52 9.564 8.603 0.961 1
1 524 . 13 1 1 A 52 52 TRP HA H 52 4.805 5.079 -0.274 1
1 532 . 13 1 1 A 52 52 TRP CA C 52 56.550 55.962 0.588 1
1 533 . 13 1 1 A 52 52 TRP CB C 52 32.300 32.840 -0.540 1
1 539 . 13 1 1 A 52 52 TRP N N 52 123.070 123.570 -0.500 1
1 541 . 13 1 1 A 53 53 LEU H H 53 7.227 8.911 -1.684 1
1 542 . 13 1 1 A 53 53 LEU HA H 53 4.863 4.368 0.495 1
1 552 . 13 1 1 A 53 53 LEU CA C 53 53.790 54.579 -0.789 1
1 553 . 13 1 1 A 53 53 LEU CB C 53 42.250 41.947 0.303 1
1 557 . 13 1 1 A 53 53 LEU N N 53 124.700 123.035 1.665 1
1 558 . 13 1 1 A 54 54 LEU H H 54 9.021 7.886 1.135 1
1 559 . 13 1 1 A 54 54 LEU HA H 54 4.618 3.512 1.106 1
1 569 . 13 1 1 A 54 54 LEU CA C 54 54.030 55.663 -1.633 1
1 570 . 13 1 1 A 54 54 LEU CB C 54 40.360 40.366 -0.006 1
1 574 . 13 1 1 A 54 54 LEU N N 54 126.893 118.136 8.757 1
1 575 . 13 1 1 A 55 55 TYR H H 55 8.884 8.540 0.344 1
1 576 . 13 1 1 A 55 55 TYR HA H 55 4.562 4.393 0.169 1
1 583 . 13 1 1 A 55 55 TYR CA C 55 58.420 58.778 -0.358 1
1 584 . 13 1 1 A 55 55 TYR CB C 55 36.180 38.831 -2.651 1
1 587 . 13 1 1 A 55 55 TYR N N 55 123.430 120.705 2.725 1
1 588 . 13 1 1 A 56 56 LEU H H 56 8.192 8.739 -0.547 1
1 589 . 13 1 1 A 56 56 LEU HA H 56 4.530 4.709 -0.179 1
1 598 . 13 1 1 A 56 56 LEU CA C 56 51.720 51.908 -0.188 1
1 599 . 13 1 1 A 56 56 LEU CB C 56 43.260 43.264 -0.004 1
1 602 . 13 1 1 A 56 56 LEU N N 56 130.832 128.545 2.287 1
1 603 . 13 1 1 A 57 57 PRO HA H 57 3.779 3.701 0.078 1
1 610 . 13 1 1 A 57 57 PRO CA C 57 62.240 63.328 -1.088 1
1 611 . 13 1 1 A 57 57 PRO CB C 57 31.130 31.235 -0.105 1
1 614 . 13 1 1 A 58 58 GLY H H 58 8.908 8.428 0.480 1
1 615 . 13 1 1 A 58 58 GLY HA2 H 58 4.027 3.768 0.259 1
1 616 . 13 1 1 A 58 58 GLY HA3 H 58 3.433 3.792 -0.359 1
1 617 . 13 1 1 A 58 58 GLY CA C 58 44.860 45.301 -0.441 1
1 618 . 13 1 1 A 58 58 GLY N N 58 112.351 111.728 0.623 1
1 619 . 13 1 1 A 59 59 LYS H H 59 7.214 7.317 -0.103 1
1 620 . 13 1 1 A 59 59 LYS HA H 59 4.386 4.480 -0.094 1
1 629 . 13 1 1 A 59 59 LYS CA C 59 53.760 55.166 -1.406 1
1 630 . 13 1 1 A 59 59 LYS CB C 59 34.590 34.089 0.501 1
1 634 . 13 1 1 A 59 59 LYS N N 59 121.458 121.797 -0.339 1
1 635 . 13 1 1 A 60 60 GLY H H 60 8.312 8.333 -0.021 1
1 636 . 13 1 1 A 60 60 GLY HA2 H 60 3.379 3.404 -0.025 1
1 637 . 13 1 1 A 60 60 GLY HA3 H 60 3.229 3.505 -0.276 1
1 638 . 13 1 1 A 60 60 GLY CA C 60 45.350 45.181 0.169 1
1 639 . 13 1 1 A 60 60 GLY N N 60 103.990 113.800 -9.810 1
1 640 . 13 1 1 A 61 61 HIS H H 61 7.880 8.155 -0.275 1
1 641 . 13 1 1 A 61 61 HIS HA H 61 4.868 5.191 -0.323 1
1 645 . 13 1 1 A 61 61 HIS CA C 61 53.920 54.762 -0.842 1
1 646 . 13 1 1 A 61 61 HIS CB C 61 33.020 34.122 -1.102 1
1 648 . 13 1 1 A 61 61 HIS N N 61 121.221 119.951 1.270 1
1 649 . 13 1 1 A 62 62 CYS H H 62 8.760 8.710 0.050 1
1 650 . 13 1 1 A 62 62 CYS HA H 62 4.248 4.434 -0.186 1
1 653 . 13 1 1 A 62 62 CYS CA C 62 61.730 59.215 2.515 1
1 654 . 13 1 1 A 62 62 CYS CB C 62 26.560 28.564 -2.004 1
1 655 . 13 1 1 A 62 62 CYS N N 62 121.842 120.216 1.626 1
1 656 . 13 1 1 A 63 63 VAL H H 63 8.109 8.537 -0.428 1
1 657 . 13 1 1 A 63 63 VAL HA H 63 4.869 4.980 -0.111 1
1 665 . 13 1 1 A 63 63 VAL CA C 63 62.210 61.518 0.692 1
1 666 . 13 1 1 A 63 63 VAL CB C 63 34.780 34.699 0.081 1
1 669 . 13 1 1 A 63 63 VAL N N 63 127.029 122.207 4.822 1
1 670 . 13 1 1 A 64 64 THR H H 64 8.453 8.569 -0.116 1
1 671 . 13 1 1 A 64 64 THR HA H 64 5.349 4.722 0.627 1
1 676 . 13 1 1 A 64 64 THR CA C 64 61.100 61.689 -0.589 1
1 677 . 13 1 1 A 64 64 THR CB C 64 70.790 69.937 0.853 1
1 679 . 13 1 1 A 64 64 THR N N 64 116.830 120.868 -4.038 1
1 680 . 13 1 1 A 65 65 GLY H H 65 8.663 8.615 0.048 1
1 681 . 13 1 1 A 65 65 GLY HA2 H 65 4.085 3.797 0.288 1
1 682 . 13 1 1 A 65 65 GLY HA3 H 65 3.480 4.267 -0.787 1
1 683 . 13 1 1 A 65 65 GLY CA C 65 46.570 46.085 0.485 1
1 684 . 13 1 1 A 65 65 GLY N N 65 107.680 109.225 -1.545 1
1 685 . 13 1 1 A 66 66 GLU H H 66 8.574 8.033 0.541 1
1 686 . 13 1 1 A 66 66 GLU HA H 66 5.150 5.224 -0.074 1
1 689 . 13 1 1 A 66 66 GLU CA C 66 54.450 54.439 0.011 1
1 690 . 13 1 1 A 66 66 GLU CB C 66 37.328 34.133 3.195 1
1 691 . 13 1 1 A 66 66 GLU N N 66 120.921 118.569 2.352 1
1 692 . 13 1 1 A 67 67 ILE H H 67 8.623 8.379 0.244 1
1 693 . 13 1 1 A 67 67 ILE HA H 67 5.149 5.040 0.109 1
1 703 . 13 1 1 A 67 67 ILE CA C 67 60.180 60.184 -0.004 1
1 704 . 13 1 1 A 67 67 ILE CB C 67 40.210 39.367 0.843 1
1 708 . 13 1 1 A 67 67 ILE N N 67 121.340 122.461 -1.121 1
1 709 . 13 1 1 A 68 68 TYR H H 68 9.196 9.184 0.012 1
1 710 . 13 1 1 A 68 68 TYR HA H 68 5.001 5.350 -0.349 1
1 717 . 13 1 1 A 68 68 TYR CA C 68 56.270 56.448 -0.178 1
1 718 . 13 1 1 A 68 68 TYR CB C 68 41.480 41.689 -0.209 1
1 721 . 13 1 1 A 68 68 TYR N N 68 123.650 125.582 -1.932 1
1 722 . 13 1 1 A 69 69 GLU H H 69 9.302 9.086 0.216 1
1 723 . 13 1 1 A 69 69 GLU HA H 69 5.066 4.782 0.284 1
1 728 . 13 1 1 A 69 69 GLU CA C 69 55.180 56.986 -1.806 1
1 729 . 13 1 1 A 69 69 GLU CB C 69 31.420 30.660 0.760 1
1 731 . 13 1 1 A 69 69 GLU N N 69 124.090 124.904 -0.814 1
1 732 . 13 1 1 A 70 70 VAL H H 70 8.908 9.058 -0.150 1
1 733 . 13 1 1 A 70 70 VAL HA H 70 5.556 5.303 0.253 1
1 741 . 13 1 1 A 70 70 VAL CA C 70 57.780 58.712 -0.932 1
1 742 . 13 1 1 A 70 70 VAL CB C 70 35.400 35.726 -0.326 1
1 745 . 13 1 1 A 70 70 VAL N N 70 119.540 119.786 -0.246 1
1 746 . 13 1 1 A 71 71 ASP H H 71 7.939 7.976 -0.037 1
1 747 . 13 1 1 A 71 71 ASP HA H 71 4.909 4.941 -0.032 1
1 750 . 13 1 1 A 71 71 ASP CA C 71 51.240 51.806 -0.566 1
1 751 . 13 1 1 A 71 71 ASP CB C 71 42.210 42.322 -0.112 1
1 752 . 13 1 1 A 71 71 ASP N N 71 120.720 122.107 -1.387 1
1 753 . 13 1 1 A 72 72 GLU H H 72 8.364 8.773 -0.409 1
1 754 . 13 1 1 A 72 72 GLU HA H 72 3.869 3.986 -0.117 1
1 757 . 13 1 1 A 72 72 GLU CA C 72 59.775 60.003 -0.228 1
1 758 . 13 1 1 A 72 72 GLU CB C 72 29.140 29.429 -0.289 1
1 760 . 13 1 1 A 72 72 GLU N N 72 117.910 119.072 -1.162 1
1 761 . 13 1 1 A 73 73 GLN H H 73 7.960 7.985 -0.025 1
1 762 . 13 1 1 A 73 73 GLN HA H 73 3.899 4.127 -0.228 1
1 767 . 13 1 1 A 73 73 GLN CA C 73 59.570 58.721 0.849 1
1 768 . 13 1 1 A 73 73 GLN CB C 73 27.810 28.439 -0.629 1
1 770 . 13 1 1 A 73 73 GLN N N 73 119.617 120.029 -0.412 1
1 772 . 13 1 1 A 74 74 MET H H 74 8.489 8.061 0.428 1
1 773 . 13 1 1 A 74 74 MET HA H 74 4.766 4.374 0.392 1
1 780 . 13 1 1 A 74 74 MET CA C 74 56.790 58.445 -1.655 1
1 781 . 13 1 1 A 74 74 MET CB C 74 31.900 32.340 -0.440 1
1 784 . 13 1 1 A 74 74 MET N N 74 121.800 119.275 2.525 1
1 785 . 13 1 1 A 75 75 LEU H H 75 8.162 8.384 -0.222 1
1 786 . 13 1 1 A 75 75 LEU HA H 75 3.897 4.183 -0.286 1
1 796 . 13 1 1 A 75 75 LEU CA C 75 58.230 57.970 0.260 1
1 797 . 13 1 1 A 75 75 LEU CB C 75 42.160 41.858 0.302 1
1 801 . 13 1 1 A 75 75 LEU N N 75 120.230 121.614 -1.384 1
1 802 . 13 1 1 A 76 76 ARG H H 76 7.824 8.510 -0.686 1
1 803 . 13 1 1 A 76 76 ARG HA H 76 3.952 3.994 -0.042 1
1 811 . 13 1 1 A 76 76 ARG CA C 76 59.270 59.654 -0.384 1
1 812 . 13 1 1 A 76 76 ARG CB C 76 29.930 29.693 0.237 1
1 815 . 13 1 1 A 76 76 ARG N N 76 116.540 119.484 -2.944 1
1 817 . 13 1 1 A 77 77 PHE H H 77 8.137 8.332 -0.195 1
1 818 . 13 1 1 A 77 77 PHE HA H 77 4.085 4.220 -0.135 1
1 825 . 13 1 1 A 77 77 PHE CA C 77 61.980 61.225 0.755 1
1 826 . 13 1 1 A 77 77 PHE CB C 77 38.530 39.222 -0.692 1
1 829 . 13 1 1 A 77 77 PHE N N 77 120.650 121.090 -0.440 1
1 830 . 13 1 1 A 78 78 LEU H H 78 9.071 8.979 0.092 1
1 831 . 13 1 1 A 78 78 LEU HA H 78 3.629 3.907 -0.278 1
1 841 . 13 1 1 A 78 78 LEU CA C 78 57.730 57.363 0.367 1
1 842 . 13 1 1 A 78 78 LEU CB C 78 41.420 41.389 0.031 1
1 846 . 13 1 1 A 78 78 LEU N N 78 122.360 119.500 2.860 1
1 847 . 13 1 1 A 79 79 ASP H H 79 8.506 8.050 0.456 1
1 848 . 13 1 1 A 79 79 ASP HA H 79 4.320 4.770 -0.450 1
1 851 . 13 1 1 A 79 79 ASP CA C 79 57.190 55.576 1.614 1
1 852 . 13 1 1 A 79 79 ASP CB C 79 39.420 40.536 -1.116 1
1 853 . 13 1 1 A 79 79 ASP N N 79 120.070 118.715 1.355 1
1 854 . 13 1 1 A 80 80 ASP H H 80 7.154 7.900 -0.746 1
1 855 . 13 1 1 A 80 80 ASP HA H 80 4.501 4.889 -0.388 1
1 858 . 13 1 1 A 80 80 ASP CA C 80 56.700 55.484 1.216 1
1 859 . 13 1 1 A 80 80 ASP CB C 80 40.660 43.021 -2.361 1
1 860 . 13 1 1 A 80 80 ASP N N 80 118.890 119.033 -0.143 1
1 861 . 13 1 1 A 81 81 PHE H H 81 8.791 8.162 0.629 1
1 862 . 13 1 1 A 81 81 PHE HA H 81 3.659 3.815 -0.156 1
1 867 . 13 1 1 A 81 81 PHE CA C 81 61.640 60.910 0.730 1
1 868 . 13 1 1 A 81 81 PHE CB C 81 40.210 38.544 1.666 1
1 870 . 13 1 1 A 81 81 PHE N N 81 125.745 120.050 5.695 1
1 871 . 13 1 1 A 82 82 GLU H H 82 8.209 7.447 0.762 1
1 872 . 13 1 1 A 82 82 GLU HA H 82 3.956 3.855 0.101 1
1 875 . 13 1 1 A 82 82 GLU CA C 82 55.060 55.806 -0.746 1
1 876 . 13 1 1 A 82 82 GLU CB C 82 28.910 28.895 0.015 1
1 878 . 13 1 1 A 82 82 GLU N N 82 115.707 117.234 -1.527 1
1 879 . 13 1 1 A 83 83 ASP H H 83 7.615 7.793 -0.178 1
1 880 . 13 1 1 A 83 83 ASP HA H 83 4.236 4.179 0.057 1
1 883 . 13 1 1 A 83 83 ASP CA C 83 54.370 55.487 -1.117 1
1 884 . 13 1 1 A 83 83 ASP CB C 83 39.400 40.030 -0.630 1
1 885 . 13 1 1 A 83 83 ASP N N 83 116.517 117.639 -1.122 1
1 886 . 13 1 1 A 84 84 CYS H H 84 8.361 7.746 0.615 1
1 887 . 13 1 1 A 84 84 CYS HA H 84 5.522 4.833 0.689 1
1 890 . 13 1 1 A 84 84 CYS CA C 84 56.617 57.830 -1.213 1
1 891 . 13 1 1 A 84 84 CYS CB C 84 27.651 27.468 0.183 1
1 892 . 13 1 1 A 84 84 CYS N N 84 119.420 118.277 1.143 1
1 893 . 13 1 1 A 85 85 PRO HA H 85 5.704 4.621 1.083 1
1 900 . 13 1 1 A 85 85 PRO CA C 85 64.355 64.073 0.282 1
1 901 . 13 1 1 A 85 85 PRO CB C 85 33.190 32.303 0.887 1
1 904 . 13 1 1 A 86 86 SER H H 86 8.389 8.047 0.342 1
1 905 . 13 1 1 A 86 86 SER HA H 86 4.175 4.173 0.002 1
1 907 . 13 1 1 A 86 86 SER CA C 86 62.130 61.732 0.398 1
1 908 . 13 1 1 A 86 86 SER CB C 86 63.080 62.869 0.211 1
1 909 . 13 1 1 A 86 86 SER N N 86 122.195 114.245 7.950 1
1 910 . 13 1 1 A 87 87 MET H H 87 8.576 8.465 0.111 1
1 911 . 13 1 1 A 87 87 MET HA H 87 4.475 4.177 0.298 1
1 918 . 13 1 1 A 87 87 MET CA C 87 57.520 58.434 -0.914 1
1 919 . 13 1 1 A 87 87 MET CB C 87 33.210 33.509 -0.299 1
1 922 . 13 1 1 A 87 87 MET N N 87 121.299 120.076 1.223 1
1 923 . 13 1 1 A 88 88 TYR H H 88 6.778 8.123 -1.345 1
1 924 . 13 1 1 A 88 88 TYR HA H 88 5.023 5.206 -0.183 1
1 931 . 13 1 1 A 88 88 TYR CA C 88 56.300 57.398 -1.098 1
1 932 . 13 1 1 A 88 88 TYR CB C 88 42.530 41.188 1.342 1
1 935 . 13 1 1 A 88 88 TYR N N 88 113.420 115.481 -2.061 1
1 936 . 13 1 1 A 89 89 GLN H H 89 9.567 9.342 0.225 1
1 937 . 13 1 1 A 89 89 GLN HA H 89 4.857 5.057 -0.200 1
1 944 . 13 1 1 A 89 89 GLN CA C 89 55.870 54.515 1.355 1
1 945 . 13 1 1 A 89 89 GLN CB C 89 30.430 32.418 -1.988 1
1 947 . 13 1 1 A 89 89 GLN N N 89 115.440 119.220 -3.780 1
1 949 . 13 1 1 A 90 90 ARG H H 90 8.772 8.682 0.090 1
1 950 . 13 1 1 A 90 90 ARG HA H 90 4.499 4.264 0.235 1
1 958 . 13 1 1 A 90 90 ARG CA C 90 56.620 56.378 0.242 1
1 959 . 13 1 1 A 90 90 ARG CB C 90 29.020 30.645 -1.625 1
1 962 . 13 1 1 A 90 90 ARG N N 90 123.860 124.291 -0.431 1
1 964 . 13 1 1 A 91 91 THR H H 91 9.217 8.826 0.391 1
1 965 . 13 1 1 A 91 91 THR HA H 91 4.518 4.680 -0.162 1
1 970 . 13 1 1 A 91 91 THR CA C 91 60.570 61.008 -0.438 1
1 971 . 13 1 1 A 91 91 THR CB C 91 71.050 72.318 -1.268 1
1 973 . 13 1 1 A 91 91 THR N N 91 125.064 119.767 5.297 1
1 974 . 13 1 1 A 92 92 ALA H H 92 8.655 8.572 0.083 1
1 975 . 13 1 1 A 92 92 ALA HA H 92 5.041 5.366 -0.325 1
1 979 . 13 1 1 A 92 92 ALA CA C 92 51.320 51.003 0.317 1
1 980 . 13 1 1 A 92 92 ALA CB C 92 19.480 20.845 -1.365 1
1 981 . 13 1 1 A 92 92 ALA N N 92 126.963 127.483 -0.520 1
1 982 . 13 1 1 A 93 93 LEU H H 93 9.005 8.815 0.190 1
1 983 . 13 1 1 A 93 93 LEU HA H 93 4.720 5.197 -0.477 1
1 993 . 13 1 1 A 93 93 LEU CA C 93 53.750 53.714 0.036 1
1 994 . 13 1 1 A 93 93 LEU CB C 93 45.340 45.703 -0.363 1
1 998 . 13 1 1 A 93 93 LEU N N 93 122.440 118.780 3.660 1
1 999 . 13 1 1 A 94 94 GLN H H 94 8.360 8.918 -0.558 1
1 1000 . 13 1 1 A 94 94 GLN HA H 94 4.229 4.797 -0.568 1
1 1005 . 13 1 1 A 94 94 GLN CA C 94 56.040 54.706 1.334 1
1 1006 . 13 1 1 A 94 94 GLN CB C 94 28.780 30.600 -1.820 1
1 1008 . 13 1 1 A 94 94 GLN N N 94 119.357 120.268 -0.911 1
1 1010 . 13 1 1 A 95 95 VAL H H 95 8.612 9.190 -0.578 1
1 1011 . 13 1 1 A 95 95 VAL HA H 95 4.013 4.411 -0.398 1
1 1019 . 13 1 1 A 95 95 VAL CA C 95 61.440 60.785 0.655 1
1 1020 . 13 1 1 A 95 95 VAL CB C 95 35.110 34.257 0.853 1
1 1023 . 13 1 1 A 95 95 VAL N N 95 126.928 126.346 0.582 1
1 1024 . 13 1 1 A 96 96 GLN H H 96 9.222 8.786 0.436 1
1 1025 . 13 1 1 A 96 96 GLN HA H 96 4.279 4.358 -0.079 1
1 1032 . 13 1 1 A 96 96 GLN CA C 96 55.150 55.922 -0.772 1
1 1033 . 13 1 1 A 96 96 GLN CB C 96 29.100 29.299 -0.199 1
1 1035 . 13 1 1 A 96 96 GLN N N 96 128.360 126.808 1.552 1
1 1037 . 13 1 1 A 97 97 VAL H H 97 8.233 9.169 -0.936 1
1 1038 . 13 1 1 A 97 97 VAL HA H 97 3.674 4.127 -0.453 1
1 1046 . 13 1 1 A 97 97 VAL CA C 97 64.040 63.103 0.937 1
1 1047 . 13 1 1 A 97 97 VAL CB C 97 31.920 30.713 1.207 1
1 1050 . 13 1 1 A 97 97 VAL N N 97 128.120 126.206 1.914 1
1 1051 . 13 1 1 A 98 98 LEU H H 98 8.880 8.888 -0.008 1
1 1052 . 13 1 1 A 98 98 LEU HA H 98 4.472 4.216 0.256 1
1 1059 . 13 1 1 A 98 98 LEU CA C 98 55.641 56.225 -0.584 1
1 1060 . 13 1 1 A 98 98 LEU CB C 98 42.510 42.768 -0.258 1
1 1063 . 13 1 1 A 98 98 LEU N N 98 128.877 129.472 -0.595 1
1 1064 . 13 1 1 A 99 99 GLU H H 99 7.682 7.463 0.219 1
1 1065 . 13 1 1 A 99 99 GLU HA H 99 4.403 4.752 -0.349 1
1 1070 . 13 1 1 A 99 99 GLU CA C 99 56.310 56.079 0.231 1
1 1071 . 13 1 1 A 99 99 GLU CB C 99 32.790 33.320 -0.530 1
1 1073 . 13 1 1 A 99 99 GLU N N 99 118.210 116.034 2.176 1
1 1074 . 13 1 1 A 100 100 TRP H H 100 8.883 8.707 0.176 1
1 1075 . 13 1 1 A 100 100 TRP HA H 100 5.205 5.316 -0.111 1
1 1084 . 13 1 1 A 100 100 TRP CA C 100 55.982 55.727 0.255 1
1 1085 . 13 1 1 A 100 100 TRP CB C 100 32.430 33.095 -0.665 1
1 1091 . 13 1 1 A 100 100 TRP N N 100 126.421 127.285 -0.864 1
1 1093 . 13 1 1 A 101 101 GLU H H 101 8.116 8.229 -0.113 1
1 1094 . 13 1 1 A 101 101 GLU HA H 101 4.462 4.550 -0.088 1
1 1098 . 13 1 1 A 101 101 GLU CA C 101 55.050 55.127 -0.077 1
1 1099 . 13 1 1 A 101 101 GLU CB C 101 30.950 30.906 0.044 1
1 1101 . 13 1 1 A 101 101 GLU N N 101 128.535 126.037 2.498 1
1 1102 . 13 1 1 A 102 102 GLY H H 102 7.614 8.107 -0.493 1
1 1103 . 13 1 1 A 102 102 GLY HA2 H 102 3.853 3.975 -0.122 1
1 1104 . 13 1 1 A 102 102 GLY HA3 H 102 3.905 4.065 -0.160 1
1 1105 . 13 1 1 A 102 102 GLY CA C 102 44.440 43.759 0.681 1
1 1106 . 13 1 1 A 102 102 GLY N N 102 108.953 110.774 -1.821 1
1 1107 . 13 1 1 A 103 103 ASP H H 103 8.261 8.436 -0.175 1
1 1108 . 13 1 1 A 103 103 ASP HA H 103 4.641 4.645 -0.004 1
1 1111 . 13 1 1 A 103 103 ASP CA C 103 54.530 55.050 -0.520 1
1 1112 . 13 1 1 A 103 103 ASP CB C 103 41.690 41.484 0.206 1
1 1113 . 13 1 1 A 103 103 ASP N N 103 118.730 120.515 -1.785 1
1 1114 . 13 1 1 A 104 104 GLY H H 104 8.526 8.900 -0.374 1
1 1115 . 13 1 1 A 104 104 GLY HA2 H 104 3.719 3.932 -0.213 1
1 1116 . 13 1 1 A 104 104 GLY HA3 H 104 3.892 4.046 -0.154 1
1 1117 . 13 1 1 A 104 104 GLY CA C 104 45.960 46.794 -0.834 1
1 1118 . 13 1 1 A 104 104 GLY N N 104 109.230 113.585 -4.355 1
1 1119 . 13 1 1 A 105 105 ASP H H 105 7.806 8.003 -0.197 1
1 1120 . 13 1 1 A 105 105 ASP HA H 105 3.381 4.249 -0.868 1
1 1123 . 13 1 1 A 105 105 ASP CA C 105 51.020 50.443 0.577 1
1 1124 . 13 1 1 A 105 105 ASP CB C 105 41.406 40.708 0.698 1
1 1125 . 13 1 1 A 105 105 ASP N N 105 119.739 119.737 0.002 1
1 1126 . 13 1 1 A 106 106 PRO HA H 106 4.065 4.248 -0.183 1
1 1133 . 13 1 1 A 106 106 PRO CA C 106 62.970 64.294 -1.324 1
1 1134 . 13 1 1 A 106 106 PRO CB C 106 31.660 31.843 -0.183 1
1 1137 . 13 1 1 A 107 107 GLY H H 107 7.863 7.079 0.784 1
1 1138 . 13 1 1 A 107 107 GLY HA2 H 107 3.401 4.002 -0.601 1
1 1139 . 13 1 1 A 107 107 GLY HA3 H 107 4.103 4.004 0.099 1
1 1140 . 13 1 1 A 107 107 GLY CA C 107 44.170 44.467 -0.297 1
1 1141 . 13 1 1 A 107 107 GLY N N 107 109.610 106.183 3.427 1
1 1142 . 13 1 1 A 108 108 ASP H H 108 8.171 8.750 -0.579 1
1 1143 . 13 1 1 A 108 108 ASP HA H 108 4.283 4.407 -0.124 1
1 1145 . 13 1 1 A 108 108 ASP CA C 108 56.430 55.889 0.541 1
1 1146 . 13 1 1 A 108 108 ASP CB C 108 41.490 41.170 0.320 1
1 1147 . 13 1 1 A 108 108 ASP N N 108 119.264 123.697 -4.433 1
1 1148 . 13 1 1 A 109 109 SER H H 109 7.560 7.642 -0.082 1
1 1149 . 13 1 1 A 109 109 SER HA H 109 5.188 4.867 0.321 1
1 1152 . 13 1 1 A 109 109 SER CA C 109 56.740 56.745 -0.005 1
1 1153 . 13 1 1 A 109 109 SER CB C 109 65.780 65.738 0.042 1
1 1154 . 13 1 1 A 109 109 SER N N 109 110.810 112.557 -1.747 1
1 1155 . 13 1 1 A 110 110 VAL H H 110 8.932 8.923 0.009 1
1 1156 . 13 1 1 A 110 110 VAL HA H 110 4.262 4.739 -0.477 1
1 1164 . 13 1 1 A 110 110 VAL CA C 110 59.470 59.457 0.013 1
1 1165 . 13 1 1 A 110 110 VAL CB C 110 35.400 35.757 -0.357 1
1 1168 . 13 1 1 A 110 110 VAL N N 110 118.530 121.444 -2.914 1
1 1169 . 13 1 1 A 111 111 GLN H H 111 8.468 8.397 0.071 1
1 1170 . 13 1 1 A 111 111 GLN HA H 111 4.422 4.717 -0.295 1
1 1177 . 13 1 1 A 111 111 GLN CA C 111 55.960 55.308 0.652 1
1 1178 . 13 1 1 A 111 111 GLN CB C 111 29.470 29.372 0.098 1
1 1180 . 13 1 1 A 111 111 GLN N N 111 127.378 126.964 0.414 1
1 1182 . 13 1 1 A 112 112 CYS H H 112 8.785 8.615 0.170 1
1 1183 . 13 1 1 A 112 112 CYS HA H 112 4.782 5.055 -0.273 1
1 1186 . 13 1 1 A 112 112 CYS CA C 112 57.100 57.242 -0.142 1
1 1187 . 13 1 1 A 112 112 CYS CB C 112 33.700 32.438 1.262 1
1 1188 . 13 1 1 A 112 112 CYS N N 112 122.300 123.705 -1.405 1
1 1189 . 13 1 1 A 113 113 PHE H H 113 8.838 8.550 0.288 1
1 1190 . 13 1 1 A 113 113 PHE HA H 113 5.154 5.553 -0.399 1
1 1197 . 13 1 1 A 113 113 PHE CA C 113 58.650 56.714 1.936 1
1 1198 . 13 1 1 A 113 113 PHE CB C 113 40.210 42.057 -1.847 1
1 1201 . 13 1 1 A 113 113 PHE N N 113 118.974 120.274 -1.300 1
1 1202 . 13 1 1 A 114 114 VAL H H 114 9.079 8.995 0.084 1
1 1203 . 13 1 1 A 114 114 VAL HA H 114 4.472 4.838 -0.366 1
1 1211 . 13 1 1 A 114 114 VAL CA C 114 60.650 60.875 -0.225 1
1 1212 . 13 1 1 A 114 114 VAL CB C 114 35.970 36.131 -0.161 1
1 1215 . 13 1 1 A 114 114 VAL N N 114 121.660 120.838 0.822 1
1 1216 . 13 1 1 A 115 115 TYR H H 115 9.672 8.963 0.709 1
1 1217 . 13 1 1 A 115 115 TYR HA H 115 4.988 4.781 0.207 1
1 1224 . 13 1 1 A 115 115 TYR CA C 115 59.240 57.597 1.643 1
1 1225 . 13 1 1 A 115 115 TYR CB C 115 36.925 39.411 -2.486 1
1 1228 . 13 1 1 A 115 115 TYR N N 115 127.830 125.435 2.395 1
1 1229 . 13 1 1 A 116 116 THR H H 116 9.061 9.038 0.023 1
1 1230 . 13 1 1 A 116 116 THR HA H 116 5.435 5.155 0.280 1
1 1235 . 13 1 1 A 116 116 THR CA C 116 60.130 60.302 -0.172 1
1 1236 . 13 1 1 A 116 116 THR CB C 116 71.910 72.173 -0.263 1
1 1238 . 13 1 1 A 116 116 THR N N 116 119.130 114.211 4.919 1
1 1239 . 13 1 1 A 117 117 THR H H 117 8.707 8.807 -0.100 1
1 1240 . 13 1 1 A 117 117 THR HA H 117 5.561 5.090 0.471 1
1 1245 . 13 1 1 A 117 117 THR CA C 117 60.160 60.554 -0.394 1
1 1246 . 13 1 1 A 117 117 THR CB C 117 70.170 70.741 -0.571 1
1 1248 . 13 1 1 A 117 117 THR N N 117 111.190 115.078 -3.888 1
1 1249 . 13 1 1 A 118 118 ALA H H 118 9.257 8.822 0.435 1
1 1250 . 13 1 1 A 118 118 ALA HA H 118 5.033 4.604 0.429 1
1 1254 . 13 1 1 A 118 118 ALA CA C 118 51.550 52.880 -1.330 1
1 1255 . 13 1 1 A 118 118 ALA CB C 118 20.050 20.738 -0.688 1
1 1256 . 13 1 1 A 118 118 ALA N N 118 132.010 127.796 4.214 1
1 1257 . 13 1 1 A 119 119 THR H H 119 8.628 7.801 0.827 1
1 1258 . 13 1 1 A 119 119 THR HA H 119 4.143 4.210 -0.067 1
1 1263 . 13 1 1 A 119 119 THR CA C 119 60.090 62.068 -1.978 1
1 1264 . 13 1 1 A 119 119 THR CB C 119 68.056 69.042 -0.986 1
1 1266 . 13 1 1 A 119 119 THR N N 119 114.350 111.439 2.911 1
1 1267 . 13 1 1 A 120 120 TYR H H 120 6.281 7.249 -0.968 1
1 1268 . 13 1 1 A 120 120 TYR HA H 120 3.594 3.901 -0.307 1
1 1273 . 13 1 1 A 120 120 TYR CA C 120 53.530 57.029 -3.499 1
1 1274 . 13 1 1 A 120 120 TYR CB C 120 40.072 39.536 0.536 1
1 1276 . 13 1 1 A 120 120 TYR N N 120 117.205 119.669 -2.464 1
1 1277 . 13 1 1 A 121 121 ALA HA H 121 5.030 4.203 0.827 1
1 1278 . 13 1 1 A 121 121 ALA CA C 121 51.536 50.561 0.975 1
1 1279 . 13 1 1 A 122 122 PRO HA H 122 4.059 4.224 -0.165 1
1 1285 . 13 1 1 A 122 122 PRO CA C 122 65.435 65.048 0.387 1
1 1286 . 13 1 1 A 122 122 PRO CB C 122 31.680 32.000 -0.320 1
1 1289 . 13 1 1 A 123 123 GLU H H 123 9.336 9.055 0.281 1
1 1290 . 13 1 1 A 123 123 GLU HA H 123 4.169 4.433 -0.264 1
1 1294 . 13 1 1 A 123 123 GLU CA C 123 59.100 59.314 -0.214 1
1 1295 . 13 1 1 A 123 123 GLU CB C 123 27.940 29.219 -1.279 1
1 1297 . 13 1 1 A 123 123 GLU N N 123 115.528 116.284 -0.756 1
1 1298 . 13 1 1 A 124 124 TRP H H 124 8.560 8.123 0.437 1
1 1299 . 13 1 1 A 124 124 TRP HA H 124 4.671 4.444 0.227 1
1 1308 . 13 1 1 A 124 124 TRP CA C 124 57.370 60.404 -3.034 1
1 1309 . 13 1 1 A 124 124 TRP CB C 124 28.310 28.621 -0.311 1
1 1315 . 13 1 1 A 124 124 TRP N N 124 123.431 120.652 2.779 1
1 1317 . 13 1 1 A 125 125 LEU H H 125 7.378 7.758 -0.380 1
1 1318 . 13 1 1 A 125 125 LEU HA H 125 4.065 4.108 -0.043 1
1 1328 . 13 1 1 A 125 125 LEU CA C 125 56.060 57.141 -1.081 1
1 1329 . 13 1 1 A 125 125 LEU CB C 125 41.220 41.337 -0.117 1
1 1333 . 13 1 1 A 125 125 LEU N N 125 113.660 120.630 -6.970 1
1 1334 . 13 1 1 A 126 126 PHE H H 126 7.415 7.693 -0.278 1
1 1335 . 13 1 1 A 126 126 PHE HA H 126 4.640 4.654 -0.014 1
1 1342 . 13 1 1 A 126 126 PHE CA C 126 56.940 58.514 -1.574 1
1 1343 . 13 1 1 A 126 126 PHE CB C 126 38.670 39.420 -0.750 1
1 1346 . 13 1 1 A 126 126 PHE N N 126 116.360 115.764 0.596 1
1 1347 . 13 1 1 A 127 127 LEU H H 127 7.168 7.498 -0.330 1
1 1348 . 13 1 1 A 127 127 LEU HA H 127 4.529 4.505 0.024 1
1 1358 . 13 1 1 A 127 127 LEU CA C 127 53.580 53.433 0.147 1
1 1359 . 13 1 1 A 127 127 LEU CB C 127 40.832 40.806 0.026 1
1 1363 . 13 1 1 A 127 127 LEU N N 127 122.990 121.598 1.392 1
1 1364 . 13 1 1 A 128 128 PRO HA H 128 3.986 4.400 -0.414 1
1 1371 . 13 1 1 A 128 128 PRO CA C 128 63.140 62.969 0.171 1
1 1372 . 13 1 1 A 128 128 PRO CB C 128 31.993 32.056 -0.063 1
1 1375 . 13 1 1 A 129 129 TYR H H 129 8.070 8.203 -0.133 1
1 1376 . 13 1 1 A 129 129 TYR HA H 129 5.529 5.262 0.267 1
1 1383 . 13 1 1 A 129 129 TYR CA C 129 52.486 58.061 -5.575 1
1 1384 . 13 1 1 A 129 129 TYR CB C 129 36.760 39.987 -3.227 1
1 1387 . 13 1 1 A 129 129 TYR N N 129 120.100 121.305 -1.205 1
1 1388 . 13 1 1 A 130 130 HIS H H 130 9.193 8.688 0.505 1
1 1389 . 13 1 1 A 130 130 HIS HA H 130 4.733 5.147 -0.414 1
1 1393 . 13 1 1 A 130 130 HIS CA C 130 55.920 54.740 1.180 1
1 1394 . 13 1 1 A 130 130 HIS CB C 130 32.908 34.118 -1.210 1
1 1396 . 13 1 1 A 130 130 HIS N N 130 121.985 119.045 2.940 1
1 1397 . 13 1 1 A 131 131 GLU H H 131 9.093 9.342 -0.249 1
1 1398 . 13 1 1 A 131 131 GLU HA H 131 4.277 4.949 -0.672 1
1 1402 . 13 1 1 A 131 131 GLU CA C 131 58.110 57.475 0.635 1
1 1403 . 13 1 1 A 131 131 GLU CB C 131 30.700 31.347 -0.647 1
1 1405 . 13 1 1 A 131 131 GLU N N 131 122.150 120.678 1.472 1
1 1406 . 13 1 1 A 132 132 SER H H 132 7.621 7.890 -0.269 1
1 1407 . 13 1 1 A 132 132 SER HA H 132 4.686 5.099 -0.413 1
1 1410 . 13 1 1 A 132 132 SER CA C 132 56.340 57.946 -1.606 1
1 1411 . 13 1 1 A 132 132 SER CB C 132 65.050 67.037 -1.987 1
1 1412 . 13 1 1 A 132 132 SER N N 132 108.030 114.233 -6.203 1
1 1413 . 13 1 1 A 133 133 TYR H H 133 8.667 8.961 -0.294 1
1 1414 . 13 1 1 A 133 133 TYR HA H 133 4.564 5.238 -0.674 1
1 1419 . 13 1 1 A 133 133 TYR CA C 133 57.910 56.782 1.128 1
1 1420 . 13 1 1 A 133 133 TYR CB C 133 40.720 41.877 -1.157 1
1 1422 . 13 1 1 A 133 133 TYR N N 133 121.977 126.587 -4.610 1
1 1423 . 13 1 1 A 134 134 ASP H H 134 7.303 7.638 -0.335 1
1 1424 . 13 1 1 A 134 134 ASP HA H 134 3.944 4.692 -0.748 1
1 1427 . 13 1 1 A 134 134 ASP CA C 134 52.540 52.829 -0.289 1
1 1428 . 13 1 1 A 134 134 ASP CB C 134 42.900 44.625 -1.725 1
1 1429 . 13 1 1 A 134 134 ASP N N 134 127.820 127.393 0.427 1
1 1430 . 13 1 1 A 135 135 SER H H 135 9.392 8.531 0.861 1
1 1431 . 13 1 1 A 135 135 SER HA H 135 3.945 4.523 -0.578 1
1 1434 . 13 1 1 A 135 135 SER CA C 135 61.770 58.301 3.469 1
1 1435 . 13 1 1 A 135 135 SER CB C 135 63.561 64.003 -0.442 1
1 1436 . 13 1 1 A 135 135 SER N N 135 127.670 116.713 10.957 1
1 1437 . 13 1 1 A 136 136 GLU H H 136 7.546 7.725 -0.179 1
1 1438 . 13 1 1 A 136 136 GLU HA H 136 4.233 4.531 -0.298 1
1 1443 . 13 1 1 A 136 136 GLU CA C 136 54.796 55.466 -0.670 1
1 1444 . 13 1 1 A 136 136 GLU CB C 136 28.420 30.189 -1.769 1
1 1446 . 13 1 1 A 136 136 GLU N N 136 113.107 120.210 -7.103 1
1 1447 . 13 1 1 A 137 137 GLY H H 137 7.241 8.435 -1.194 1
1 1448 . 13 1 1 A 137 137 GLY HA2 H 137 3.994 4.174 -0.180 1
1 1449 . 13 1 1 A 137 137 GLY HA3 H 137 3.503 4.177 -0.674 1
1 1450 . 13 1 1 A 137 137 GLY CA C 137 44.880 44.415 0.465 1
1 1451 . 13 1 1 A 137 137 GLY N N 137 104.690 111.091 -6.401 1
1 1452 . 13 1 1 A 138 138 PRO HA H 138 4.211 4.390 -0.179 1
1 1459 . 13 1 1 A 138 138 PRO CA C 138 64.830 62.864 1.966 1
1 1460 . 13 1 1 A 138 138 PRO CB C 138 31.180 32.642 -1.462 1
1 1463 . 13 1 1 A 139 139 HIS H H 139 6.414 8.405 -1.991 1
1 1464 . 13 1 1 A 139 139 HIS HA H 139 4.299 4.102 0.197 1
1 1467 . 13 1 1 A 139 139 HIS CA C 139 55.080 56.149 -1.069 1
1 1468 . 13 1 1 A 139 139 HIS CB C 139 30.260 28.116 2.144 1
1 1470 . 13 1 1 A 139 139 HIS N N 139 116.498 114.784 1.714 1
1 1471 . 13 1 1 A 140 140 GLY H H 140 7.082 8.585 -1.503 1
1 1472 . 13 1 1 A 140 140 GLY HA2 H 140 3.919 3.803 0.116 1
1 1473 . 13 1 1 A 140 140 GLY HA3 H 140 3.721 3.807 -0.086 1
1 1474 . 13 1 1 A 140 140 GLY CA C 140 46.590 47.195 -0.605 1
1 1475 . 13 1 1 A 140 140 GLY N N 140 108.485 110.545 -2.060 1
1 1476 . 13 1 1 A 141 141 LEU HA H 141 4.451 4.683 -0.232 1
1 1483 . 13 1 1 A 141 141 LEU CA C 141 53.024 52.979 0.045 1
1 1484 . 13 1 1 A 141 141 LEU CB C 141 39.500 42.041 -2.541 1
1 1487 . 13 1 1 A 142 142 ARG H H 142 7.472 8.502 -1.030 1
1 1488 . 13 1 1 A 142 142 ARG HA H 142 4.724 5.013 -0.289 1
1 1493 . 13 1 1 A 142 142 ARG CA C 142 55.940 54.260 1.680 1
1 1494 . 13 1 1 A 142 142 ARG CB C 142 31.070 33.474 -2.404 1
1 1497 . 13 1 1 A 142 142 ARG N N 142 121.987 120.909 1.078 1
1 1499 . 13 1 1 A 143 143 TYR H H 143 8.487 8.973 -0.486 1
1 1500 . 13 1 1 A 143 143 TYR HA H 143 4.474 4.852 -0.378 1
1 1507 . 13 1 1 A 143 143 TYR CA C 143 59.015 59.665 -0.650 1
1 1508 . 13 1 1 A 143 143 TYR CB C 143 38.720 39.266 -0.546 1
1 1511 . 13 1 1 A 143 143 TYR N N 143 127.896 123.372 4.524 1
1 1512 . 13 1 1 A 144 144 ASN H H 144 7.805 7.901 -0.096 1
1 1513 . 13 1 1 A 144 144 ASN HA H 144 4.892 4.997 -0.105 1
1 1518 . 13 1 1 A 144 144 ASN CA C 144 50.120 49.732 0.388 1
1 1519 . 13 1 1 A 144 144 ASN CB C 144 39.360 39.459 -0.099 1
1 1520 . 13 1 1 A 144 144 ASN N N 144 125.629 125.608 0.021 1
1 1522 . 13 1 1 A 145 145 PRO HA H 145 3.975 4.317 -0.342 1
1 1528 . 13 1 1 A 145 145 PRO CA C 145 63.140 63.263 -0.123 1
1 1529 . 13 1 1 A 145 145 PRO CB C 145 32.386 32.074 0.312 1
1 1532 . 13 1 1 A 146 146 ARG H H 146 8.055 7.633 0.422 1
1 1533 . 13 1 1 A 146 146 ARG HA H 146 3.918 4.068 -0.150 1
1 1541 . 13 1 1 A 146 146 ARG CA C 146 56.740 56.804 -0.064 1
1 1542 . 13 1 1 A 146 146 ARG CB C 146 30.430 28.624 1.806 1
1 1545 . 13 1 1 A 146 146 ARG N N 146 120.069 117.872 2.197 1
1 1547 . 13 1 1 A 147 147 GLU H H 147 8.440 8.220 0.220 1
1 1548 . 13 1 1 A 147 147 GLU HA H 147 4.167 4.405 -0.238 1
1 1552 . 13 1 1 A 147 147 GLU CA C 147 56.710 58.673 -1.963 1
1 1553 . 13 1 1 A 147 147 GLU CB C 147 30.150 30.229 -0.079 1
1 1555 . 13 1 1 A 147 147 GLU N N 147 120.760 118.047 2.713 1
1 1556 . 13 1 1 A 148 148 ASN H H 148 8.363 8.577 -0.214 1
1 1557 . 13 1 1 A 148 148 ASN HA H 148 4.652 4.539 0.113 1
1 1562 . 13 1 1 A 148 148 ASN CA C 148 53.240 53.838 -0.598 1
1 1563 . 13 1 1 A 148 148 ASN CB C 148 38.840 37.451 1.389 1
1 1564 . 13 1 1 A 148 148 ASN N N 148 120.210 117.288 2.922 1
1 1 . 14 1 1 A 2 2 ALA HA H 2 4.182 4.893 -0.711 1
1 5 . 14 1 1 A 2 2 ALA CA C 2 51.510 50.102 1.408 1
1 6 . 14 1 1 A 2 2 ALA CB C 2 20.090 23.568 -3.478 1
1 7 . 14 1 1 A 3 3 HIS H H 3 9.173 8.601 0.572 1
1 8 . 14 1 1 A 3 3 HIS HA H 3 5.839 5.690 0.149 1
1 12 . 14 1 1 A 3 3 HIS CA C 3 56.960 54.864 2.096 1
1 13 . 14 1 1 A 3 3 HIS CB C 3 32.820 31.911 0.909 1
1 15 . 14 1 1 A 3 3 HIS N N 3 118.801 118.263 0.538 1
1 16 . 14 1 1 A 4 4 ILE H H 4 9.494 9.042 0.452 1
1 17 . 14 1 1 A 4 4 ILE HA H 4 5.508 5.312 0.196 1
1 27 . 14 1 1 A 4 4 ILE CA C 4 58.300 59.478 -1.178 1
1 28 . 14 1 1 A 4 4 ILE CB C 4 41.930 42.323 -0.393 1
1 32 . 14 1 1 A 4 4 ILE N N 4 118.202 117.777 0.425 1
1 33 . 14 1 1 A 5 5 PHE H H 5 8.815 8.960 -0.145 1
1 34 . 14 1 1 A 5 5 PHE HA H 5 5.789 5.499 0.290 1
1 42 . 14 1 1 A 5 5 PHE CA C 5 55.153 56.180 -1.027 1
1 43 . 14 1 1 A 5 5 PHE CB C 5 40.740 42.944 -2.204 1
1 47 . 14 1 1 A 5 5 PHE N N 5 126.107 124.692 1.415 1
1 48 . 14 1 1 A 6 6 VAL H H 6 9.078 7.487 1.591 1
1 49 . 14 1 1 A 6 6 VAL HA H 6 4.357 4.189 0.168 1
1 57 . 14 1 1 A 6 6 VAL CA C 6 59.157 60.233 -1.076 1
1 58 . 14 1 1 A 6 6 VAL CB C 6 33.473 33.536 -0.063 1
1 61 . 14 1 1 A 6 6 VAL N N 6 118.658 120.343 -1.685 1
1 62 . 14 1 1 A 7 7 TYR H H 7 6.878 7.369 -0.491 1
1 63 . 14 1 1 A 7 7 TYR HA H 7 4.170 4.501 -0.331 1
1 66 . 14 1 1 A 7 7 TYR CB C 7 36.608 38.897 -2.289 1
1 67 . 14 1 1 A 7 7 TYR N N 7 116.860 124.883 -8.023 1
1 68 . 14 1 1 A 8 8 GLY HA2 H 8 4.195 4.081 0.114 1
1 69 . 14 1 1 A 8 8 GLY HA3 H 8 2.933 4.189 -1.256 1
1 70 . 14 1 1 A 8 8 GLY CA C 8 46.169 45.535 0.634 1
1 71 . 14 1 1 A 9 9 THR H H 9 7.618 7.676 -0.058 1
1 72 . 14 1 1 A 9 9 THR HA H 9 3.831 4.575 -0.744 1
1 77 . 14 1 1 A 9 9 THR CA C 9 64.570 61.352 3.218 1
1 78 . 14 1 1 A 9 9 THR CB C 9 68.494 70.418 -1.924 1
1 80 . 14 1 1 A 9 9 THR N N 9 115.934 110.765 5.169 1
1 81 . 14 1 1 A 10 10 LEU H H 10 7.561 7.698 -0.137 1
1 82 . 14 1 1 A 10 10 LEU HA H 10 3.673 4.454 -0.781 1
1 92 . 14 1 1 A 10 10 LEU CA C 10 55.950 53.215 2.735 1
1 93 . 14 1 1 A 10 10 LEU CB C 10 41.610 42.207 -0.597 1
1 97 . 14 1 1 A 10 10 LEU N N 10 120.151 121.315 -1.164 1
1 98 . 14 1 1 A 11 11 LYS H H 11 6.738 7.859 -1.121 1
1 99 . 14 1 1 A 11 11 LYS HA H 11 4.007 4.721 -0.714 1
1 103 . 14 1 1 A 11 11 LYS CA C 11 57.390 57.641 -0.251 1
1 104 . 14 1 1 A 11 11 LYS CB C 11 34.322 34.054 0.268 1
1 106 . 14 1 1 A 11 11 LYS N N 11 116.295 120.834 -4.539 1
1 107 . 14 1 1 A 12 12 ARG H H 12 9.432 8.155 1.277 1
1 108 . 14 1 1 A 12 12 ARG HA H 12 2.029 4.089 -2.060 1
1 115 . 14 1 1 A 12 12 ARG CA C 12 58.420 58.531 -0.111 1
1 116 . 14 1 1 A 12 12 ARG CB C 12 29.190 30.419 -1.229 1
1 119 . 14 1 1 A 12 12 ARG N N 12 120.863 120.441 0.422 1
1 120 . 14 1 1 A 13 13 GLY H H 13 8.048 7.586 0.462 1
1 121 . 14 1 1 A 13 13 GLY HA2 H 13 3.990 4.091 -0.101 1
1 122 . 14 1 1 A 13 13 GLY HA3 H 13 3.538 4.116 -0.578 1
1 123 . 14 1 1 A 13 13 GLY CA C 13 45.490 45.594 -0.104 1
1 124 . 14 1 1 A 13 13 GLY N N 13 111.120 105.170 5.950 1
1 125 . 14 1 1 A 14 14 GLN H H 14 7.904 8.098 -0.194 1
1 126 . 14 1 1 A 14 14 GLN HA H 14 4.682 4.805 -0.123 1
1 133 . 14 1 1 A 14 14 GLN CA C 14 53.440 52.972 0.468 1
1 134 . 14 1 1 A 14 14 GLN CB C 14 27.115 29.171 -2.056 1
1 136 . 14 1 1 A 14 14 GLN N N 14 117.811 118.969 -1.158 1
1 138 . 14 1 1 A 15 15 PRO HA H 15 4.342 4.309 0.033 1
1 145 . 14 1 1 A 15 15 PRO CA C 15 66.870 65.253 1.617 1
1 146 . 14 1 1 A 15 15 PRO CB C 15 34.060 31.820 2.240 1
1 149 . 14 1 1 A 16 16 ASN H H 16 8.287 8.464 -0.177 1
1 150 . 14 1 1 A 16 16 ASN HA H 16 5.356 4.609 0.747 1
1 155 . 14 1 1 A 16 16 ASN CA C 16 52.230 55.706 -3.476 1
1 156 . 14 1 1 A 16 16 ASN CB C 16 39.030 37.727 1.303 1
1 157 . 14 1 1 A 16 16 ASN N N 16 110.638 115.640 -5.002 1
1 159 . 14 1 1 A 17 17 HIS H H 17 7.819 8.381 -0.562 1
1 160 . 14 1 1 A 17 17 HIS HA H 17 3.815 4.082 -0.267 1
1 164 . 14 1 1 A 17 17 HIS CA C 17 60.140 60.062 0.078 1
1 165 . 14 1 1 A 17 17 HIS CB C 17 27.680 30.041 -2.361 1
1 167 . 14 1 1 A 17 17 HIS N N 17 121.058 121.585 -0.527 1
1 168 . 14 1 1 A 18 18 LYS H H 18 8.326 8.236 0.090 1
1 169 . 14 1 1 A 18 18 LYS HA H 18 3.695 4.051 -0.356 1
1 175 . 14 1 1 A 18 18 LYS CA C 18 58.890 58.785 0.105 1
1 176 . 14 1 1 A 18 18 LYS CB C 18 31.070 32.010 -0.940 1
1 180 . 14 1 1 A 18 18 LYS N N 18 112.812 117.324 -4.512 1
1 181 . 14 1 1 A 19 19 VAL H H 19 7.373 7.915 -0.542 1
1 182 . 14 1 1 A 19 19 VAL HA H 19 3.816 3.932 -0.116 1
1 190 . 14 1 1 A 19 19 VAL CA C 19 64.960 65.101 -0.141 1
1 191 . 14 1 1 A 19 19 VAL CB C 19 30.960 31.515 -0.555 1
1 194 . 14 1 1 A 19 19 VAL N N 19 117.691 115.711 1.980 1
1 195 . 14 1 1 A 20 20 MET H H 20 7.329 7.934 -0.605 1
1 196 . 14 1 1 A 20 20 MET HA H 20 3.951 4.293 -0.342 1
1 204 . 14 1 1 A 20 20 MET CA C 20 55.560 57.346 -1.786 1
1 205 . 14 1 1 A 20 20 MET CB C 20 31.460 32.281 -0.821 1
1 208 . 14 1 1 A 20 20 MET N N 20 114.870 118.410 -3.540 1
1 209 . 14 1 1 A 21 21 LEU H H 21 6.718 7.642 -0.924 1
1 210 . 14 1 1 A 21 21 LEU HA H 21 4.091 4.280 -0.189 1
1 220 . 14 1 1 A 21 21 LEU CA C 21 54.140 55.752 -1.612 1
1 221 . 14 1 1 A 21 21 LEU CB C 21 42.310 41.928 0.382 1
1 225 . 14 1 1 A 21 21 LEU N N 21 116.021 118.067 -2.046 1
1 226 . 14 1 1 A 22 22 ASP H H 22 6.399 7.563 -1.164 1
1 227 . 14 1 1 A 22 22 ASP HA H 22 4.288 4.754 -0.466 1
1 229 . 14 1 1 A 22 22 ASP CA C 22 52.776 53.264 -0.488 1
1 230 . 14 1 1 A 22 22 ASP CB C 22 40.180 39.941 0.239 1
1 231 . 14 1 1 A 22 22 ASP N N 22 117.972 119.567 -1.595 1
1 232 . 14 1 1 A 23 23 HIS H H 23 8.601 8.746 -0.145 1
1 233 . 14 1 1 A 23 23 HIS HA H 23 4.848 4.199 0.649 1
1 237 . 14 1 1 A 23 23 HIS CA C 23 55.800 59.231 -3.431 1
1 238 . 14 1 1 A 23 23 HIS CB C 23 27.860 30.005 -2.145 1
1 240 . 14 1 1 A 23 23 HIS N N 23 123.395 126.058 -2.663 1
1 241 . 14 1 1 A 24 24 SER H H 24 8.526 7.979 0.547 1
1 242 . 14 1 1 A 24 24 SER HA H 24 4.105 3.849 0.256 1
1 244 . 14 1 1 A 24 24 SER CA C 24 60.870 62.383 -1.513 1
1 245 . 14 1 1 A 24 24 SER CB C 24 62.510 63.187 -0.677 1
1 246 . 14 1 1 A 24 24 SER N N 24 117.035 115.160 1.875 1
1 247 . 14 1 1 A 25 25 HIS H H 25 7.450 7.802 -0.352 1
1 248 . 14 1 1 A 25 25 HIS HA H 25 4.494 3.981 0.513 1
1 252 . 14 1 1 A 25 25 HIS CA C 25 53.900 57.956 -4.056 1
1 253 . 14 1 1 A 25 25 HIS CB C 25 28.320 29.554 -1.234 1
1 255 . 14 1 1 A 25 25 HIS N N 25 117.560 117.700 -0.140 1
1 256 . 14 1 1 A 26 26 GLY H H 26 6.926 6.823 0.103 1
1 257 . 14 1 1 A 26 26 GLY HA2 H 26 3.587 3.702 -0.115 1
1 258 . 14 1 1 A 26 26 GLY HA3 H 26 4.362 3.925 0.437 1
1 259 . 14 1 1 A 26 26 GLY CA C 26 43.730 44.144 -0.414 1
1 260 . 14 1 1 A 26 26 GLY N N 26 103.120 104.783 -1.663 1
1 261 . 14 1 1 A 27 27 LEU H H 27 8.579 8.540 0.039 1
1 262 . 14 1 1 A 27 27 LEU HA H 27 4.327 4.554 -0.227 1
1 271 . 14 1 1 A 27 27 LEU CA C 27 54.520 55.579 -1.059 1
1 272 . 14 1 1 A 27 27 LEU CB C 27 44.250 42.625 1.625 1
1 276 . 14 1 1 A 27 27 LEU N N 27 121.940 122.424 -0.484 1
1 277 . 14 1 1 A 28 28 ALA H H 28 7.776 8.771 -0.995 1
1 278 . 14 1 1 A 28 28 ALA HA H 28 5.231 5.197 0.034 1
1 282 . 14 1 1 A 28 28 ALA CA C 28 50.990 52.023 -1.033 1
1 283 . 14 1 1 A 28 28 ALA CB C 28 22.580 20.635 1.945 1
1 284 . 14 1 1 A 28 28 ALA N N 28 123.020 123.486 -0.466 1
1 285 . 14 1 1 A 29 29 ALA H H 29 9.231 8.985 0.246 1
1 286 . 14 1 1 A 29 29 ALA HA H 29 4.857 5.411 -0.554 1
1 290 . 14 1 1 A 29 29 ALA CA C 29 50.661 50.447 0.214 1
1 291 . 14 1 1 A 29 29 ALA CB C 29 21.140 23.372 -2.232 1
1 292 . 14 1 1 A 29 29 ALA N N 29 125.760 125.566 0.194 1
1 293 . 14 1 1 A 30 30 PHE H H 30 9.083 9.015 0.068 1
1 294 . 14 1 1 A 30 30 PHE HA H 30 3.397 4.373 -0.976 1
1 301 . 14 1 1 A 30 30 PHE CA C 30 59.895 56.804 3.091 1
1 302 . 14 1 1 A 30 30 PHE CB C 30 38.810 38.441 0.369 1
1 305 . 14 1 1 A 30 30 PHE N N 30 126.590 122.765 3.825 1
1 306 . 14 1 1 A 31 31 ARG H H 31 8.102 8.652 -0.550 1
1 307 . 14 1 1 A 31 31 ARG HA H 31 3.941 4.338 -0.397 1
1 314 . 14 1 1 A 31 31 ARG CA C 31 53.120 54.540 -1.420 1
1 315 . 14 1 1 A 31 31 ARG CB C 31 31.665 29.898 1.767 1
1 318 . 14 1 1 A 31 31 ARG N N 31 125.007 127.612 -2.605 1
1 320 . 14 1 1 A 32 32 GLY H H 32 5.465 8.158 -2.693 1
1 321 . 14 1 1 A 32 32 GLY HA2 H 32 3.264 4.013 -0.749 1
1 322 . 14 1 1 A 32 32 GLY HA3 H 32 4.670 4.059 0.611 1
1 323 . 14 1 1 A 32 32 GLY CA C 32 45.150 44.588 0.562 1
1 324 . 14 1 1 A 32 32 GLY N N 32 101.400 113.907 -12.507 1
1 325 . 14 1 1 A 33 33 ARG H H 33 8.345 8.513 -0.168 1
1 326 . 14 1 1 A 33 33 ARG HA H 33 5.158 5.160 -0.002 1
1 332 . 14 1 1 A 33 33 ARG CA C 33 54.924 54.019 0.905 1
1 333 . 14 1 1 A 33 33 ARG CB C 33 34.180 34.699 -0.519 1
1 336 . 14 1 1 A 33 33 ARG N N 33 116.822 116.559 0.263 1
1 338 . 14 1 1 A 34 34 GLY H H 34 8.549 8.752 -0.203 1
1 339 . 14 1 1 A 34 34 GLY HA2 H 34 5.154 4.461 0.693 1
1 340 . 14 1 1 A 34 34 GLY HA3 H 34 3.752 4.562 -0.810 1
1 341 . 14 1 1 A 34 34 GLY CA C 34 45.620 45.898 -0.278 1
1 342 . 14 1 1 A 34 34 GLY N N 34 107.400 106.097 1.303 1
1 343 . 14 1 1 A 35 35 CYS H H 35 8.803 8.328 0.475 1
1 344 . 14 1 1 A 35 35 CYS HA H 35 5.893 5.875 0.018 1
1 347 . 14 1 1 A 35 35 CYS CA C 35 55.420 57.521 -2.101 1
1 348 . 14 1 1 A 35 35 CYS CB C 35 30.960 31.225 -0.265 1
1 349 . 14 1 1 A 35 35 CYS N N 35 117.781 117.782 -0.001 1
1 350 . 14 1 1 A 36 36 THR H H 36 9.033 9.050 -0.017 1
1 351 . 14 1 1 A 36 36 THR HA H 36 3.835 4.393 -0.558 1
1 356 . 14 1 1 A 36 36 THR CA C 36 64.160 61.269 2.891 1
1 357 . 14 1 1 A 36 36 THR CB C 36 68.200 68.291 -0.091 1
1 359 . 14 1 1 A 36 36 THR N N 36 117.973 114.292 3.681 1
1 360 . 14 1 1 A 37 37 VAL H H 37 7.545 8.325 -0.780 1
1 361 . 14 1 1 A 37 37 VAL HA H 37 3.709 3.846 -0.137 1
1 369 . 14 1 1 A 37 37 VAL CA C 37 65.740 65.287 0.453 1
1 370 . 14 1 1 A 37 37 VAL CB C 37 32.410 31.529 0.881 1
1 373 . 14 1 1 A 37 37 VAL N N 37 121.706 122.460 -0.754 1
1 374 . 14 1 1 A 38 38 GLU H H 38 8.540 7.788 0.752 1
1 375 . 14 1 1 A 38 38 GLU HA H 38 4.264 4.250 0.014 1
1 380 . 14 1 1 A 38 38 GLU CA C 38 54.260 56.060 -1.800 1
1 381 . 14 1 1 A 38 38 GLU CB C 38 30.770 30.325 0.445 1
1 383 . 14 1 1 A 38 38 GLU N N 38 119.219 123.460 -4.241 1
1 384 . 14 1 1 A 39 39 SER H H 39 8.692 8.241 0.451 1
1 385 . 14 1 1 A 39 39 SER HA H 39 4.035 4.447 -0.412 1
1 388 . 14 1 1 A 39 39 SER CA C 39 57.370 59.389 -2.019 1
1 389 . 14 1 1 A 39 39 SER CB C 39 63.760 63.834 -0.074 1
1 390 . 14 1 1 A 39 39 SER N N 39 118.941 119.910 -0.969 1
1 391 . 14 1 1 A 40 40 PHE H H 40 8.302 8.930 -0.628 1
1 392 . 14 1 1 A 40 40 PHE HA H 40 4.986 4.835 0.151 1
1 400 . 14 1 1 A 40 40 PHE CA C 40 57.320 55.585 1.735 1
1 401 . 14 1 1 A 40 40 PHE CB C 40 44.292 42.425 1.867 1
1 405 . 14 1 1 A 40 40 PHE N N 40 119.300 121.645 -2.345 1
1 406 . 14 1 1 A 41 41 PRO HA H 41 3.828 4.457 -0.629 1
1 413 . 14 1 1 A 41 41 PRO CA C 41 62.270 62.262 0.008 1
1 414 . 14 1 1 A 41 41 PRO CB C 41 30.790 31.206 -0.416 1
1 417 . 14 1 1 A 42 42 LEU H H 42 7.964 8.648 -0.684 1
1 418 . 14 1 1 A 42 42 LEU HA H 42 5.352 5.320 0.032 1
1 427 . 14 1 1 A 42 42 LEU CA C 42 53.830 53.464 0.366 1
1 428 . 14 1 1 A 42 42 LEU CB C 42 42.380 44.742 -2.362 1
1 431 . 14 1 1 A 42 42 LEU N N 42 129.948 123.967 5.981 1
1 432 . 14 1 1 A 43 43 VAL H H 43 8.607 9.246 -0.639 1
1 433 . 14 1 1 A 43 43 VAL HA H 43 5.296 5.204 0.092 1
1 441 . 14 1 1 A 43 43 VAL CA C 43 58.040 59.210 -1.170 1
1 442 . 14 1 1 A 43 43 VAL CB C 43 35.220 35.692 -0.472 1
1 445 . 14 1 1 A 43 43 VAL N N 43 117.190 120.740 -3.550 1
1 446 . 14 1 1 A 44 44 ILE H H 44 9.056 8.615 0.441 1
1 447 . 14 1 1 A 44 44 ILE HA H 44 4.426 4.521 -0.095 1
1 457 . 14 1 1 A 44 44 ILE CA C 44 61.156 60.523 0.633 1
1 458 . 14 1 1 A 44 44 ILE CB C 44 38.544 38.030 0.514 1
1 462 . 14 1 1 A 44 44 ILE N N 44 122.963 125.180 -2.217 1
1 463 . 14 1 1 A 45 45 ALA H H 45 8.701 8.377 0.324 1
1 464 . 14 1 1 A 45 45 ALA HA H 45 4.626 4.635 -0.009 1
1 468 . 14 1 1 A 45 45 ALA CA C 45 51.430 50.889 0.541 1
1 469 . 14 1 1 A 45 45 ALA CB C 45 21.670 21.167 0.503 1
1 470 . 14 1 1 A 45 45 ALA N N 45 126.347 128.143 -1.796 1
1 471 . 14 1 1 A 46 46 GLY H H 46 8.486 8.695 -0.209 1
1 472 . 14 1 1 A 46 46 GLY HA2 H 46 4.587 4.213 0.374 1
1 473 . 14 1 1 A 46 46 GLY HA3 H 46 4.084 4.240 -0.156 1
1 474 . 14 1 1 A 46 46 GLY CA C 46 44.500 44.997 -0.497 1
1 475 . 14 1 1 A 46 46 GLY N N 46 108.262 106.715 1.547 1
1 476 . 14 1 1 A 47 47 GLU H H 47 8.938 9.145 -0.207 1
1 477 . 14 1 1 A 47 47 GLU HA H 47 4.003 4.472 -0.469 1
1 480 . 14 1 1 A 47 47 GLU CA C 47 58.820 57.317 1.503 1
1 481 . 14 1 1 A 47 47 GLU CB C 47 29.500 30.224 -0.724 1
1 482 . 14 1 1 A 47 47 GLU N N 47 118.010 123.128 -5.118 1
1 483 . 14 1 1 A 48 48 HIS H H 48 8.742 7.963 0.779 1
1 484 . 14 1 1 A 48 48 HIS HA H 48 4.704 4.685 0.019 1
1 488 . 14 1 1 A 48 48 HIS CA C 48 55.130 55.578 -0.448 1
1 489 . 14 1 1 A 48 48 HIS CB C 48 29.110 30.216 -1.106 1
1 491 . 14 1 1 A 48 48 HIS N N 48 115.306 114.833 0.473 1
1 492 . 14 1 1 A 49 49 ASN H H 49 7.810 8.093 -0.283 1
1 493 . 14 1 1 A 49 49 ASN HA H 49 3.878 4.184 -0.306 1
1 498 . 14 1 1 A 49 49 ASN CA C 49 53.876 54.069 -0.193 1
1 499 . 14 1 1 A 49 49 ASN CB C 49 36.030 36.930 -0.900 1
1 500 . 14 1 1 A 49 49 ASN N N 49 114.919 114.203 0.716 1
1 502 . 14 1 1 A 50 50 ILE H H 50 7.046 7.993 -0.947 1
1 503 . 14 1 1 A 50 50 ILE HA H 50 4.022 4.414 -0.392 1
1 513 . 14 1 1 A 50 50 ILE CA C 50 59.430 58.139 1.291 1
1 514 . 14 1 1 A 50 50 ILE CB C 50 41.326 38.362 2.964 1
1 518 . 14 1 1 A 50 50 ILE N N 50 120.995 119.996 0.999 1
1 519 . 14 1 1 A 51 51 PRO HA H 51 5.194 4.776 0.418 1
1 521 . 14 1 1 A 51 51 PRO CA C 51 60.560 62.655 -2.095 1
1 522 . 14 1 1 A 51 51 PRO CB C 51 31.841 31.988 -0.147 1
1 523 . 14 1 1 A 52 52 TRP H H 52 9.564 9.023 0.541 1
1 524 . 14 1 1 A 52 52 TRP HA H 52 4.805 5.557 -0.752 1
1 532 . 14 1 1 A 52 52 TRP CA C 52 56.550 55.647 0.903 1
1 533 . 14 1 1 A 52 52 TRP CB C 52 32.300 32.978 -0.678 1
1 539 . 14 1 1 A 52 52 TRP N N 52 123.070 124.503 -1.433 1
1 541 . 14 1 1 A 53 53 LEU H H 53 7.227 9.001 -1.774 1
1 542 . 14 1 1 A 53 53 LEU HA H 53 4.863 5.372 -0.509 1
1 552 . 14 1 1 A 53 53 LEU CA C 53 53.790 53.660 0.130 1
1 553 . 14 1 1 A 53 53 LEU CB C 53 42.250 44.967 -2.717 1
1 557 . 14 1 1 A 53 53 LEU N N 53 124.700 123.555 1.145 1
1 558 . 14 1 1 A 54 54 LEU H H 54 9.021 9.230 -0.209 1
1 559 . 14 1 1 A 54 54 LEU HA H 54 4.618 4.781 -0.163 1
1 569 . 14 1 1 A 54 54 LEU CA C 54 54.030 54.487 -0.457 1
1 570 . 14 1 1 A 54 54 LEU CB C 54 40.360 42.375 -2.015 1
1 574 . 14 1 1 A 54 54 LEU N N 54 126.893 129.074 -2.181 1
1 575 . 14 1 1 A 55 55 TYR H H 55 8.884 9.163 -0.279 1
1 576 . 14 1 1 A 55 55 TYR HA H 55 4.562 4.904 -0.342 1
1 583 . 14 1 1 A 55 55 TYR CA C 55 58.420 56.844 1.576 1
1 584 . 14 1 1 A 55 55 TYR CB C 55 36.180 38.428 -2.248 1
1 587 . 14 1 1 A 55 55 TYR N N 55 123.430 125.575 -2.145 1
1 588 . 14 1 1 A 56 56 LEU H H 56 8.192 8.720 -0.528 1
1 589 . 14 1 1 A 56 56 LEU HA H 56 4.530 4.823 -0.293 1
1 598 . 14 1 1 A 56 56 LEU CA C 56 51.720 51.584 0.136 1
1 599 . 14 1 1 A 56 56 LEU CB C 56 43.260 43.500 -0.240 1
1 602 . 14 1 1 A 56 56 LEU N N 56 130.832 128.860 1.972 1
1 603 . 14 1 1 A 57 57 PRO HA H 57 3.779 3.180 0.599 1
1 610 . 14 1 1 A 57 57 PRO CA C 57 62.240 63.175 -0.935 1
1 611 . 14 1 1 A 57 57 PRO CB C 57 31.130 30.864 0.266 1
1 614 . 14 1 1 A 58 58 GLY H H 58 8.908 8.546 0.362 1
1 615 . 14 1 1 A 58 58 GLY HA2 H 58 4.027 3.733 0.294 1
1 616 . 14 1 1 A 58 58 GLY HA3 H 58 3.433 3.749 -0.316 1
1 617 . 14 1 1 A 58 58 GLY CA C 58 44.860 45.337 -0.477 1
1 618 . 14 1 1 A 58 58 GLY N N 58 112.351 112.000 0.351 1
1 619 . 14 1 1 A 59 59 LYS H H 59 7.214 7.266 -0.052 1
1 620 . 14 1 1 A 59 59 LYS HA H 59 4.386 4.644 -0.258 1
1 629 . 14 1 1 A 59 59 LYS CA C 59 53.760 54.646 -0.886 1
1 630 . 14 1 1 A 59 59 LYS CB C 59 34.590 35.373 -0.783 1
1 634 . 14 1 1 A 59 59 LYS N N 59 121.458 121.096 0.362 1
1 635 . 14 1 1 A 60 60 GLY H H 60 8.312 8.421 -0.109 1
1 636 . 14 1 1 A 60 60 GLY HA2 H 60 3.379 3.709 -0.330 1
1 637 . 14 1 1 A 60 60 GLY HA3 H 60 3.229 3.812 -0.583 1
1 638 . 14 1 1 A 60 60 GLY CA C 60 45.350 46.665 -1.315 1
1 639 . 14 1 1 A 60 60 GLY N N 60 103.990 111.877 -7.887 1
1 640 . 14 1 1 A 61 61 HIS H H 61 7.880 8.214 -0.334 1
1 641 . 14 1 1 A 61 61 HIS HA H 61 4.868 5.397 -0.529 1
1 645 . 14 1 1 A 61 61 HIS CA C 61 53.920 54.586 -0.666 1
1 646 . 14 1 1 A 61 61 HIS CB C 61 33.020 34.494 -1.474 1
1 648 . 14 1 1 A 61 61 HIS N N 61 121.221 120.154 1.067 1
1 649 . 14 1 1 A 62 62 CYS H H 62 8.760 8.881 -0.121 1
1 650 . 14 1 1 A 62 62 CYS HA H 62 4.248 5.034 -0.786 1
1 653 . 14 1 1 A 62 62 CYS CA C 62 61.730 58.081 3.649 1
1 654 . 14 1 1 A 62 62 CYS CB C 62 26.560 26.729 -0.169 1
1 655 . 14 1 1 A 62 62 CYS N N 62 121.842 120.672 1.170 1
1 656 . 14 1 1 A 63 63 VAL H H 63 8.109 8.729 -0.620 1
1 657 . 14 1 1 A 63 63 VAL HA H 63 4.869 4.413 0.456 1
1 665 . 14 1 1 A 63 63 VAL CA C 63 62.210 62.889 -0.679 1
1 666 . 14 1 1 A 63 63 VAL CB C 63 34.780 33.036 1.744 1
1 669 . 14 1 1 A 63 63 VAL N N 63 127.029 126.575 0.454 1
1 670 . 14 1 1 A 64 64 THR H H 64 8.453 8.240 0.213 1
1 671 . 14 1 1 A 64 64 THR HA H 64 5.349 5.321 0.028 1
1 676 . 14 1 1 A 64 64 THR CA C 64 61.100 60.440 0.660 1
1 677 . 14 1 1 A 64 64 THR CB C 64 70.790 70.793 -0.003 1
1 679 . 14 1 1 A 64 64 THR N N 64 116.830 119.209 -2.379 1
1 680 . 14 1 1 A 65 65 GLY H H 65 8.663 8.827 -0.164 1
1 681 . 14 1 1 A 65 65 GLY HA2 H 65 4.085 3.323 0.762 1
1 682 . 14 1 1 A 65 65 GLY HA3 H 65 3.480 4.035 -0.555 1
1 683 . 14 1 1 A 65 65 GLY CA C 65 46.570 45.362 1.208 1
1 684 . 14 1 1 A 65 65 GLY N N 65 107.680 108.784 -1.104 1
1 685 . 14 1 1 A 66 66 GLU H H 66 8.574 8.038 0.536 1
1 686 . 14 1 1 A 66 66 GLU HA H 66 5.150 4.801 0.349 1
1 689 . 14 1 1 A 66 66 GLU CA C 66 54.450 54.578 -0.128 1
1 690 . 14 1 1 A 66 66 GLU CB C 66 37.328 32.015 5.313 1
1 691 . 14 1 1 A 66 66 GLU N N 66 120.921 120.013 0.908 1
1 692 . 14 1 1 A 67 67 ILE H H 67 8.623 8.471 0.152 1
1 693 . 14 1 1 A 67 67 ILE HA H 67 5.149 4.766 0.383 1
1 703 . 14 1 1 A 67 67 ILE CA C 67 60.180 60.438 -0.258 1
1 704 . 14 1 1 A 67 67 ILE CB C 67 40.210 39.372 0.838 1
1 708 . 14 1 1 A 67 67 ILE N N 67 121.340 124.616 -3.276 1
1 709 . 14 1 1 A 68 68 TYR H H 68 9.196 9.156 0.040 1
1 710 . 14 1 1 A 68 68 TYR HA H 68 5.001 5.257 -0.256 1
1 717 . 14 1 1 A 68 68 TYR CA C 68 56.270 57.624 -1.354 1
1 718 . 14 1 1 A 68 68 TYR CB C 68 41.480 39.989 1.491 1
1 721 . 14 1 1 A 68 68 TYR N N 68 123.650 127.085 -3.435 1
1 722 . 14 1 1 A 69 69 GLU H H 69 9.302 9.099 0.203 1
1 723 . 14 1 1 A 69 69 GLU HA H 69 5.066 4.898 0.168 1
1 728 . 14 1 1 A 69 69 GLU CA C 69 55.180 56.998 -1.818 1
1 729 . 14 1 1 A 69 69 GLU CB C 69 31.420 30.168 1.252 1
1 731 . 14 1 1 A 69 69 GLU N N 69 124.090 125.270 -1.180 1
1 732 . 14 1 1 A 70 70 VAL H H 70 8.908 9.090 -0.182 1
1 733 . 14 1 1 A 70 70 VAL HA H 70 5.556 5.052 0.504 1
1 741 . 14 1 1 A 70 70 VAL CA C 70 57.780 59.953 -2.173 1
1 742 . 14 1 1 A 70 70 VAL CB C 70 35.400 34.366 1.034 1
1 745 . 14 1 1 A 70 70 VAL N N 70 119.540 122.171 -2.631 1
1 746 . 14 1 1 A 71 71 ASP H H 71 7.939 8.665 -0.726 1
1 747 . 14 1 1 A 71 71 ASP HA H 71 4.909 4.987 -0.078 1
1 750 . 14 1 1 A 71 71 ASP CA C 71 51.240 52.739 -1.499 1
1 751 . 14 1 1 A 71 71 ASP CB C 71 42.210 43.736 -1.526 1
1 752 . 14 1 1 A 71 71 ASP N N 71 120.720 121.089 -0.369 1
1 753 . 14 1 1 A 72 72 GLU H H 72 8.364 9.042 -0.678 1
1 754 . 14 1 1 A 72 72 GLU HA H 72 3.869 3.956 -0.087 1
1 757 . 14 1 1 A 72 72 GLU CA C 72 59.775 60.525 -0.750 1
1 758 . 14 1 1 A 72 72 GLU CB C 72 29.140 29.565 -0.425 1
1 760 . 14 1 1 A 72 72 GLU N N 72 117.910 122.362 -4.452 1
1 761 . 14 1 1 A 73 73 GLN H H 73 7.960 8.051 -0.091 1
1 762 . 14 1 1 A 73 73 GLN HA H 73 3.899 4.094 -0.195 1
1 767 . 14 1 1 A 73 73 GLN CA C 73 59.570 58.729 0.841 1
1 768 . 14 1 1 A 73 73 GLN CB C 73 27.810 28.460 -0.650 1
1 770 . 14 1 1 A 73 73 GLN N N 73 119.617 119.470 0.147 1
1 772 . 14 1 1 A 74 74 MET H H 74 8.489 8.056 0.433 1
1 773 . 14 1 1 A 74 74 MET HA H 74 4.766 4.543 0.223 1
1 780 . 14 1 1 A 74 74 MET CA C 74 56.790 58.239 -1.449 1
1 781 . 14 1 1 A 74 74 MET CB C 74 31.900 32.483 -0.583 1
1 784 . 14 1 1 A 74 74 MET N N 74 121.800 119.470 2.330 1
1 785 . 14 1 1 A 75 75 LEU H H 75 8.162 8.277 -0.115 1
1 786 . 14 1 1 A 75 75 LEU HA H 75 3.897 4.158 -0.261 1
1 796 . 14 1 1 A 75 75 LEU CA C 75 58.230 57.898 0.332 1
1 797 . 14 1 1 A 75 75 LEU CB C 75 42.160 41.538 0.622 1
1 801 . 14 1 1 A 75 75 LEU N N 75 120.230 121.676 -1.446 1
1 802 . 14 1 1 A 76 76 ARG H H 76 7.824 8.472 -0.648 1
1 803 . 14 1 1 A 76 76 ARG HA H 76 3.952 3.989 -0.037 1
1 811 . 14 1 1 A 76 76 ARG CA C 76 59.270 59.632 -0.362 1
1 812 . 14 1 1 A 76 76 ARG CB C 76 29.930 29.567 0.363 1
1 815 . 14 1 1 A 76 76 ARG N N 76 116.540 120.000 -3.460 1
1 817 . 14 1 1 A 77 77 PHE H H 77 8.137 7.916 0.221 1
1 818 . 14 1 1 A 77 77 PHE HA H 77 4.085 4.190 -0.105 1
1 825 . 14 1 1 A 77 77 PHE CA C 77 61.980 61.266 0.714 1
1 826 . 14 1 1 A 77 77 PHE CB C 77 38.530 39.104 -0.574 1
1 829 . 14 1 1 A 77 77 PHE N N 77 120.650 121.379 -0.729 1
1 830 . 14 1 1 A 78 78 LEU H H 78 9.071 8.580 0.491 1
1 831 . 14 1 1 A 78 78 LEU HA H 78 3.629 3.445 0.184 1
1 841 . 14 1 1 A 78 78 LEU CA C 78 57.730 57.544 0.186 1
1 842 . 14 1 1 A 78 78 LEU CB C 78 41.420 40.970 0.450 1
1 846 . 14 1 1 A 78 78 LEU N N 78 122.360 119.699 2.661 1
1 847 . 14 1 1 A 79 79 ASP H H 79 8.506 7.899 0.607 1
1 848 . 14 1 1 A 79 79 ASP HA H 79 4.320 4.426 -0.106 1
1 851 . 14 1 1 A 79 79 ASP CA C 79 57.190 55.589 1.601 1
1 852 . 14 1 1 A 79 79 ASP CB C 79 39.420 40.298 -0.878 1
1 853 . 14 1 1 A 79 79 ASP N N 79 120.070 118.494 1.576 1
1 854 . 14 1 1 A 80 80 ASP H H 80 7.154 7.786 -0.632 1
1 855 . 14 1 1 A 80 80 ASP HA H 80 4.501 4.930 -0.429 1
1 858 . 14 1 1 A 80 80 ASP CA C 80 56.700 55.697 1.003 1
1 859 . 14 1 1 A 80 80 ASP CB C 80 40.660 43.352 -2.692 1
1 860 . 14 1 1 A 80 80 ASP N N 80 118.890 119.068 -0.178 1
1 861 . 14 1 1 A 81 81 PHE H H 81 8.791 8.226 0.565 1
1 862 . 14 1 1 A 81 81 PHE HA H 81 3.659 3.890 -0.231 1
1 867 . 14 1 1 A 81 81 PHE CA C 81 61.640 60.870 0.770 1
1 868 . 14 1 1 A 81 81 PHE CB C 81 40.210 38.570 1.640 1
1 870 . 14 1 1 A 81 81 PHE N N 81 125.745 120.064 5.681 1
1 871 . 14 1 1 A 82 82 GLU H H 82 8.209 7.786 0.423 1
1 872 . 14 1 1 A 82 82 GLU HA H 82 3.956 4.081 -0.125 1
1 875 . 14 1 1 A 82 82 GLU CA C 82 55.060 55.964 -0.904 1
1 876 . 14 1 1 A 82 82 GLU CB C 82 28.910 29.077 -0.167 1
1 878 . 14 1 1 A 82 82 GLU N N 82 115.707 117.029 -1.322 1
1 879 . 14 1 1 A 83 83 ASP H H 83 7.615 7.891 -0.276 1
1 880 . 14 1 1 A 83 83 ASP HA H 83 4.236 4.250 -0.014 1
1 883 . 14 1 1 A 83 83 ASP CA C 83 54.370 55.555 -1.185 1
1 884 . 14 1 1 A 83 83 ASP CB C 83 39.400 40.238 -0.838 1
1 885 . 14 1 1 A 83 83 ASP N N 83 116.517 118.591 -2.074 1
1 886 . 14 1 1 A 84 84 CYS H H 84 8.361 7.757 0.604 1
1 887 . 14 1 1 A 84 84 CYS HA H 84 5.522 4.866 0.656 1
1 890 . 14 1 1 A 84 84 CYS CA C 84 56.617 57.842 -1.225 1
1 891 . 14 1 1 A 84 84 CYS CB C 84 27.651 27.402 0.249 1
1 892 . 14 1 1 A 84 84 CYS N N 84 119.420 118.908 0.512 1
1 893 . 14 1 1 A 85 85 PRO HA H 85 5.704 4.765 0.939 1
1 900 . 14 1 1 A 85 85 PRO CA C 85 64.355 64.064 0.291 1
1 901 . 14 1 1 A 85 85 PRO CB C 85 33.190 32.032 1.158 1
1 904 . 14 1 1 A 86 86 SER H H 86 8.389 7.962 0.427 1
1 905 . 14 1 1 A 86 86 SER HA H 86 4.175 4.194 -0.019 1
1 907 . 14 1 1 A 86 86 SER CA C 86 62.130 61.726 0.404 1
1 908 . 14 1 1 A 86 86 SER CB C 86 63.080 62.945 0.135 1
1 909 . 14 1 1 A 86 86 SER N N 86 122.195 114.525 7.670 1
1 910 . 14 1 1 A 87 87 MET H H 87 8.576 8.044 0.532 1
1 911 . 14 1 1 A 87 87 MET HA H 87 4.475 4.375 0.100 1
1 918 . 14 1 1 A 87 87 MET CA C 87 57.520 58.442 -0.922 1
1 919 . 14 1 1 A 87 87 MET CB C 87 33.210 33.171 0.039 1
1 922 . 14 1 1 A 87 87 MET N N 87 121.299 119.578 1.721 1
1 923 . 14 1 1 A 88 88 TYR H H 88 6.778 7.648 -0.870 1
1 924 . 14 1 1 A 88 88 TYR HA H 88 5.023 5.141 -0.118 1
1 931 . 14 1 1 A 88 88 TYR CA C 88 56.300 57.532 -1.232 1
1 932 . 14 1 1 A 88 88 TYR CB C 88 42.530 41.602 0.928 1
1 935 . 14 1 1 A 88 88 TYR N N 88 113.420 115.527 -2.107 1
1 936 . 14 1 1 A 89 89 GLN H H 89 9.567 9.433 0.134 1
1 937 . 14 1 1 A 89 89 GLN HA H 89 4.857 5.227 -0.370 1
1 944 . 14 1 1 A 89 89 GLN CA C 89 55.870 54.431 1.439 1
1 945 . 14 1 1 A 89 89 GLN CB C 89 30.430 32.596 -2.166 1
1 947 . 14 1 1 A 89 89 GLN N N 89 115.440 118.453 -3.013 1
1 949 . 14 1 1 A 90 90 ARG H H 90 8.772 8.496 0.276 1
1 950 . 14 1 1 A 90 90 ARG HA H 90 4.499 3.749 0.750 1
1 958 . 14 1 1 A 90 90 ARG CA C 90 56.620 56.858 -0.238 1
1 959 . 14 1 1 A 90 90 ARG CB C 90 29.020 30.634 -1.614 1
1 962 . 14 1 1 A 90 90 ARG N N 90 123.860 124.016 -0.156 1
1 964 . 14 1 1 A 91 91 THR H H 91 9.217 8.533 0.684 1
1 965 . 14 1 1 A 91 91 THR HA H 91 4.518 4.922 -0.404 1
1 970 . 14 1 1 A 91 91 THR CA C 91 60.570 60.843 -0.273 1
1 971 . 14 1 1 A 91 91 THR CB C 91 71.050 73.121 -2.071 1
1 973 . 14 1 1 A 91 91 THR N N 91 125.064 120.712 4.352 1
1 974 . 14 1 1 A 92 92 ALA H H 92 8.655 8.914 -0.259 1
1 975 . 14 1 1 A 92 92 ALA HA H 92 5.041 5.706 -0.665 1
1 979 . 14 1 1 A 92 92 ALA CA C 92 51.320 50.333 0.987 1
1 980 . 14 1 1 A 92 92 ALA CB C 92 19.480 22.080 -2.600 1
1 981 . 14 1 1 A 92 92 ALA N N 92 126.963 124.494 2.469 1
1 982 . 14 1 1 A 93 93 LEU H H 93 9.005 8.657 0.348 1
1 983 . 14 1 1 A 93 93 LEU HA H 93 4.720 5.451 -0.731 1
1 993 . 14 1 1 A 93 93 LEU CA C 93 53.750 52.700 1.050 1
1 994 . 14 1 1 A 93 93 LEU CB C 93 45.340 46.061 -0.721 1
1 998 . 14 1 1 A 93 93 LEU N N 93 122.440 118.740 3.700 1
1 999 . 14 1 1 A 94 94 GLN H H 94 8.360 8.865 -0.505 1
1 1000 . 14 1 1 A 94 94 GLN HA H 94 4.229 4.862 -0.633 1
1 1005 . 14 1 1 A 94 94 GLN CA C 94 56.040 54.571 1.469 1
1 1006 . 14 1 1 A 94 94 GLN CB C 94 28.780 30.499 -1.719 1
1 1008 . 14 1 1 A 94 94 GLN N N 94 119.357 119.964 -0.607 1
1 1010 . 14 1 1 A 95 95 VAL H H 95 8.612 9.132 -0.520 1
1 1011 . 14 1 1 A 95 95 VAL HA H 95 4.013 4.606 -0.593 1
1 1019 . 14 1 1 A 95 95 VAL CA C 95 61.440 60.960 0.480 1
1 1020 . 14 1 1 A 95 95 VAL CB C 95 35.110 34.389 0.721 1
1 1023 . 14 1 1 A 95 95 VAL N N 95 126.928 126.867 0.061 1
1 1024 . 14 1 1 A 96 96 GLN H H 96 9.222 8.808 0.414 1
1 1025 . 14 1 1 A 96 96 GLN HA H 96 4.279 4.789 -0.510 1
1 1032 . 14 1 1 A 96 96 GLN CA C 96 55.150 55.691 -0.541 1
1 1033 . 14 1 1 A 96 96 GLN CB C 96 29.100 29.853 -0.753 1
1 1035 . 14 1 1 A 96 96 GLN N N 96 128.360 126.139 2.221 1
1 1037 . 14 1 1 A 97 97 VAL H H 97 8.233 8.254 -0.021 1
1 1038 . 14 1 1 A 97 97 VAL HA H 97 3.674 4.532 -0.858 1
1 1046 . 14 1 1 A 97 97 VAL CA C 97 64.040 61.459 2.581 1
1 1047 . 14 1 1 A 97 97 VAL CB C 97 31.920 31.230 0.690 1
1 1050 . 14 1 1 A 97 97 VAL N N 97 128.120 126.088 2.032 1
1 1051 . 14 1 1 A 98 98 LEU H H 98 8.880 8.482 0.398 1
1 1052 . 14 1 1 A 98 98 LEU HA H 98 4.472 4.195 0.277 1
1 1059 . 14 1 1 A 98 98 LEU CA C 98 55.641 56.661 -1.020 1
1 1060 . 14 1 1 A 98 98 LEU CB C 98 42.510 42.658 -0.148 1
1 1063 . 14 1 1 A 98 98 LEU N N 98 128.877 130.695 -1.818 1
1 1064 . 14 1 1 A 99 99 GLU H H 99 7.682 7.483 0.199 1
1 1065 . 14 1 1 A 99 99 GLU HA H 99 4.403 4.793 -0.390 1
1 1070 . 14 1 1 A 99 99 GLU CA C 99 56.310 55.868 0.442 1
1 1071 . 14 1 1 A 99 99 GLU CB C 99 32.790 33.438 -0.648 1
1 1073 . 14 1 1 A 99 99 GLU N N 99 118.210 117.725 0.485 1
1 1074 . 14 1 1 A 100 100 TRP H H 100 8.883 8.875 0.008 1
1 1075 . 14 1 1 A 100 100 TRP HA H 100 5.205 5.370 -0.165 1
1 1084 . 14 1 1 A 100 100 TRP CA C 100 55.982 55.864 0.118 1
1 1085 . 14 1 1 A 100 100 TRP CB C 100 32.430 32.909 -0.479 1
1 1091 . 14 1 1 A 100 100 TRP N N 100 126.421 127.413 -0.992 1
1 1093 . 14 1 1 A 101 101 GLU H H 101 8.116 8.224 -0.108 1
1 1094 . 14 1 1 A 101 101 GLU HA H 101 4.462 4.493 -0.031 1
1 1098 . 14 1 1 A 101 101 GLU CA C 101 55.050 56.820 -1.770 1
1 1099 . 14 1 1 A 101 101 GLU CB C 101 30.950 29.448 1.502 1
1 1101 . 14 1 1 A 101 101 GLU N N 101 128.535 126.467 2.068 1
1 1102 . 14 1 1 A 102 102 GLY H H 102 7.614 8.315 -0.701 1
1 1103 . 14 1 1 A 102 102 GLY HA2 H 102 3.853 4.025 -0.172 1
1 1104 . 14 1 1 A 102 102 GLY HA3 H 102 3.905 4.064 -0.159 1
1 1105 . 14 1 1 A 102 102 GLY CA C 102 44.440 44.259 0.181 1
1 1106 . 14 1 1 A 102 102 GLY N N 102 108.953 111.576 -2.623 1
1 1107 . 14 1 1 A 103 103 ASP H H 103 8.261 8.466 -0.205 1
1 1108 . 14 1 1 A 103 103 ASP HA H 103 4.641 4.667 -0.026 1
1 1111 . 14 1 1 A 103 103 ASP CA C 103 54.530 55.017 -0.487 1
1 1112 . 14 1 1 A 103 103 ASP CB C 103 41.690 41.513 0.177 1
1 1113 . 14 1 1 A 103 103 ASP N N 103 118.730 121.254 -2.524 1
1 1114 . 14 1 1 A 104 104 GLY H H 104 8.526 8.952 -0.426 1
1 1115 . 14 1 1 A 104 104 GLY HA2 H 104 3.719 3.930 -0.211 1
1 1116 . 14 1 1 A 104 104 GLY HA3 H 104 3.892 4.040 -0.148 1
1 1117 . 14 1 1 A 104 104 GLY CA C 104 45.960 46.815 -0.855 1
1 1118 . 14 1 1 A 104 104 GLY N N 104 109.230 113.250 -4.020 1
1 1119 . 14 1 1 A 105 105 ASP H H 105 7.806 7.975 -0.169 1
1 1120 . 14 1 1 A 105 105 ASP HA H 105 3.381 3.888 -0.507 1
1 1123 . 14 1 1 A 105 105 ASP CA C 105 51.020 50.309 0.711 1
1 1124 . 14 1 1 A 105 105 ASP CB C 105 41.406 40.733 0.673 1
1 1125 . 14 1 1 A 105 105 ASP N N 105 119.739 119.584 0.155 1
1 1126 . 14 1 1 A 106 106 PRO HA H 106 4.065 4.214 -0.149 1
1 1133 . 14 1 1 A 106 106 PRO CA C 106 62.970 63.645 -0.675 1
1 1134 . 14 1 1 A 106 106 PRO CB C 106 31.660 31.868 -0.208 1
1 1137 . 14 1 1 A 107 107 GLY H H 107 7.863 7.474 0.389 1
1 1138 . 14 1 1 A 107 107 GLY HA2 H 107 3.401 3.981 -0.580 1
1 1139 . 14 1 1 A 107 107 GLY HA3 H 107 4.103 3.991 0.112 1
1 1140 . 14 1 1 A 107 107 GLY CA C 107 44.170 44.203 -0.033 1
1 1141 . 14 1 1 A 107 107 GLY N N 107 109.610 109.106 0.504 1
1 1142 . 14 1 1 A 108 108 ASP H H 108 8.171 8.629 -0.458 1
1 1143 . 14 1 1 A 108 108 ASP HA H 108 4.283 4.599 -0.316 1
1 1145 . 14 1 1 A 108 108 ASP CA C 108 56.430 55.089 1.341 1
1 1146 . 14 1 1 A 108 108 ASP CB C 108 41.490 40.888 0.602 1
1 1147 . 14 1 1 A 108 108 ASP N N 108 119.264 121.128 -1.864 1
1 1148 . 14 1 1 A 109 109 SER H H 109 7.560 7.886 -0.326 1
1 1149 . 14 1 1 A 109 109 SER HA H 109 5.188 5.301 -0.113 1
1 1152 . 14 1 1 A 109 109 SER CA C 109 56.740 56.598 0.142 1
1 1153 . 14 1 1 A 109 109 SER CB C 109 65.780 66.115 -0.335 1
1 1154 . 14 1 1 A 109 109 SER N N 109 110.810 112.534 -1.724 1
1 1155 . 14 1 1 A 110 110 VAL H H 110 8.932 9.107 -0.175 1
1 1156 . 14 1 1 A 110 110 VAL HA H 110 4.262 4.908 -0.646 1
1 1164 . 14 1 1 A 110 110 VAL CA C 110 59.470 58.842 0.628 1
1 1165 . 14 1 1 A 110 110 VAL CB C 110 35.400 35.785 -0.385 1
1 1168 . 14 1 1 A 110 110 VAL N N 110 118.530 116.643 1.887 1
1 1169 . 14 1 1 A 111 111 GLN H H 111 8.468 8.713 -0.245 1
1 1170 . 14 1 1 A 111 111 GLN HA H 111 4.422 4.997 -0.575 1
1 1177 . 14 1 1 A 111 111 GLN CA C 111 55.960 55.063 0.897 1
1 1178 . 14 1 1 A 111 111 GLN CB C 111 29.470 29.966 -0.496 1
1 1180 . 14 1 1 A 111 111 GLN N N 111 127.378 122.920 4.458 1
1 1182 . 14 1 1 A 112 112 CYS H H 112 8.785 8.584 0.201 1
1 1183 . 14 1 1 A 112 112 CYS HA H 112 4.782 5.135 -0.353 1
1 1186 . 14 1 1 A 112 112 CYS CA C 112 57.100 56.486 0.614 1
1 1187 . 14 1 1 A 112 112 CYS CB C 112 33.700 31.999 1.701 1
1 1188 . 14 1 1 A 112 112 CYS N N 112 122.300 123.072 -0.772 1
1 1189 . 14 1 1 A 113 113 PHE H H 113 8.838 8.477 0.361 1
1 1190 . 14 1 1 A 113 113 PHE HA H 113 5.154 5.416 -0.262 1
1 1197 . 14 1 1 A 113 113 PHE CA C 113 58.650 57.108 1.542 1
1 1198 . 14 1 1 A 113 113 PHE CB C 113 40.210 41.720 -1.510 1
1 1201 . 14 1 1 A 113 113 PHE N N 113 118.974 119.378 -0.404 1
1 1202 . 14 1 1 A 114 114 VAL H H 114 9.079 8.515 0.564 1
1 1203 . 14 1 1 A 114 114 VAL HA H 114 4.472 4.998 -0.526 1
1 1211 . 14 1 1 A 114 114 VAL CA C 114 60.650 60.224 0.426 1
1 1212 . 14 1 1 A 114 114 VAL CB C 114 35.970 34.908 1.062 1
1 1215 . 14 1 1 A 114 114 VAL N N 114 121.660 116.058 5.602 1
1 1216 . 14 1 1 A 115 115 TYR H H 115 9.672 9.140 0.532 1
1 1217 . 14 1 1 A 115 115 TYR HA H 115 4.988 4.776 0.212 1
1 1224 . 14 1 1 A 115 115 TYR CA C 115 59.240 57.058 2.182 1
1 1225 . 14 1 1 A 115 115 TYR CB C 115 36.925 37.010 -0.085 1
1 1228 . 14 1 1 A 115 115 TYR N N 115 127.830 125.871 1.959 1
1 1229 . 14 1 1 A 116 116 THR H H 116 9.061 8.023 1.038 1
1 1230 . 14 1 1 A 116 116 THR HA H 116 5.435 5.075 0.360 1
1 1235 . 14 1 1 A 116 116 THR CA C 116 60.130 60.691 -0.561 1
1 1236 . 14 1 1 A 116 116 THR CB C 116 71.910 71.142 0.768 1
1 1238 . 14 1 1 A 116 116 THR N N 116 119.130 115.403 3.727 1
1 1239 . 14 1 1 A 117 117 THR H H 117 8.707 8.490 0.217 1
1 1240 . 14 1 1 A 117 117 THR HA H 117 5.561 5.325 0.236 1
1 1245 . 14 1 1 A 117 117 THR CA C 117 60.160 60.246 -0.086 1
1 1246 . 14 1 1 A 117 117 THR CB C 117 70.170 71.251 -1.081 1
1 1248 . 14 1 1 A 117 117 THR N N 117 111.190 115.191 -4.001 1
1 1249 . 14 1 1 A 118 118 ALA H H 118 9.257 8.627 0.630 1
1 1250 . 14 1 1 A 118 118 ALA HA H 118 5.033 4.599 0.434 1
1 1254 . 14 1 1 A 118 118 ALA CA C 118 51.550 52.628 -1.078 1
1 1255 . 14 1 1 A 118 118 ALA CB C 118 20.050 19.929 0.121 1
1 1256 . 14 1 1 A 118 118 ALA N N 118 132.010 128.623 3.387 1
1 1257 . 14 1 1 A 119 119 THR H H 119 8.628 7.631 0.997 1
1 1258 . 14 1 1 A 119 119 THR HA H 119 4.143 4.286 -0.143 1
1 1263 . 14 1 1 A 119 119 THR CA C 119 60.090 60.870 -0.780 1
1 1264 . 14 1 1 A 119 119 THR CB C 119 68.056 69.179 -1.123 1
1 1266 . 14 1 1 A 119 119 THR N N 119 114.350 111.566 2.784 1
1 1267 . 14 1 1 A 120 120 TYR H H 120 6.281 7.289 -1.008 1
1 1268 . 14 1 1 A 120 120 TYR HA H 120 3.594 4.122 -0.528 1
1 1273 . 14 1 1 A 120 120 TYR CA C 120 53.530 57.586 -4.056 1
1 1274 . 14 1 1 A 120 120 TYR CB C 120 40.072 39.816 0.256 1
1 1276 . 14 1 1 A 120 120 TYR N N 120 117.205 120.224 -3.019 1
1 1277 . 14 1 1 A 121 121 ALA HA H 121 5.030 4.443 0.587 1
1 1278 . 14 1 1 A 121 121 ALA CA C 121 51.536 49.601 1.935 1
1 1279 . 14 1 1 A 122 122 PRO HA H 122 4.059 4.327 -0.268 1
1 1285 . 14 1 1 A 122 122 PRO CA C 122 65.435 64.834 0.601 1
1 1286 . 14 1 1 A 122 122 PRO CB C 122 31.680 32.074 -0.394 1
1 1289 . 14 1 1 A 123 123 GLU H H 123 9.336 8.940 0.396 1
1 1290 . 14 1 1 A 123 123 GLU HA H 123 4.169 3.575 0.594 1
1 1294 . 14 1 1 A 123 123 GLU CA C 123 59.100 58.855 0.245 1
1 1295 . 14 1 1 A 123 123 GLU CB C 123 27.940 28.866 -0.926 1
1 1297 . 14 1 1 A 123 123 GLU N N 123 115.528 115.704 -0.176 1
1 1298 . 14 1 1 A 124 124 TRP H H 124 8.560 7.769 0.791 1
1 1299 . 14 1 1 A 124 124 TRP HA H 124 4.671 4.632 0.039 1
1 1308 . 14 1 1 A 124 124 TRP CA C 124 57.370 59.540 -2.170 1
1 1309 . 14 1 1 A 124 124 TRP CB C 124 28.310 28.680 -0.370 1
1 1315 . 14 1 1 A 124 124 TRP N N 124 123.431 119.682 3.749 1
1 1317 . 14 1 1 A 125 125 LEU H H 125 7.378 7.239 0.139 1
1 1318 . 14 1 1 A 125 125 LEU HA H 125 4.065 4.309 -0.244 1
1 1328 . 14 1 1 A 125 125 LEU CA C 125 56.060 55.898 0.162 1
1 1329 . 14 1 1 A 125 125 LEU CB C 125 41.220 42.288 -1.068 1
1 1333 . 14 1 1 A 125 125 LEU N N 125 113.660 120.375 -6.715 1
1 1334 . 14 1 1 A 126 126 PHE H H 126 7.415 7.376 0.039 1
1 1335 . 14 1 1 A 126 126 PHE HA H 126 4.640 4.288 0.352 1
1 1342 . 14 1 1 A 126 126 PHE CA C 126 56.940 60.204 -3.264 1
1 1343 . 14 1 1 A 126 126 PHE CB C 126 38.670 39.053 -0.383 1
1 1346 . 14 1 1 A 126 126 PHE N N 126 116.360 116.422 -0.062 1
1 1347 . 14 1 1 A 127 127 LEU H H 127 7.168 7.149 0.019 1
1 1348 . 14 1 1 A 127 127 LEU HA H 127 4.529 4.456 0.073 1
1 1358 . 14 1 1 A 127 127 LEU CA C 127 53.580 53.778 -0.198 1
1 1359 . 14 1 1 A 127 127 LEU CB C 127 40.832 41.134 -0.302 1
1 1363 . 14 1 1 A 127 127 LEU N N 127 122.990 119.969 3.021 1
1 1364 . 14 1 1 A 128 128 PRO HA H 128 3.986 4.191 -0.205 1
1 1371 . 14 1 1 A 128 128 PRO CA C 128 63.140 62.102 1.038 1
1 1372 . 14 1 1 A 128 128 PRO CB C 128 31.993 32.353 -0.360 1
1 1375 . 14 1 1 A 129 129 TYR H H 129 8.070 8.136 -0.066 1
1 1376 . 14 1 1 A 129 129 TYR HA H 129 5.529 5.366 0.163 1
1 1383 . 14 1 1 A 129 129 TYR CA C 129 52.486 56.306 -3.820 1
1 1384 . 14 1 1 A 129 129 TYR CB C 129 36.760 42.829 -6.069 1
1 1387 . 14 1 1 A 129 129 TYR N N 129 120.100 118.786 1.314 1
1 1388 . 14 1 1 A 130 130 HIS H H 130 9.193 8.241 0.952 1
1 1389 . 14 1 1 A 130 130 HIS HA H 130 4.733 4.762 -0.029 1
1 1393 . 14 1 1 A 130 130 HIS CA C 130 55.920 54.697 1.223 1
1 1394 . 14 1 1 A 130 130 HIS CB C 130 32.908 34.343 -1.435 1
1 1396 . 14 1 1 A 130 130 HIS N N 130 121.985 118.572 3.413 1
1 1397 . 14 1 1 A 131 131 GLU H H 131 9.093 8.745 0.348 1
1 1398 . 14 1 1 A 131 131 GLU HA H 131 4.277 4.470 -0.193 1
1 1402 . 14 1 1 A 131 131 GLU CA C 131 58.110 56.245 1.865 1
1 1403 . 14 1 1 A 131 131 GLU CB C 131 30.700 31.892 -1.192 1
1 1405 . 14 1 1 A 131 131 GLU N N 131 122.150 122.027 0.123 1
1 1406 . 14 1 1 A 132 132 SER H H 132 7.621 7.812 -0.191 1
1 1407 . 14 1 1 A 132 132 SER HA H 132 4.686 4.998 -0.312 1
1 1410 . 14 1 1 A 132 132 SER CA C 132 56.340 57.066 -0.726 1
1 1411 . 14 1 1 A 132 132 SER CB C 132 65.050 66.796 -1.746 1
1 1412 . 14 1 1 A 132 132 SER N N 132 108.030 113.301 -5.271 1
1 1413 . 14 1 1 A 133 133 TYR H H 133 8.667 8.578 0.089 1
1 1414 . 14 1 1 A 133 133 TYR HA H 133 4.564 5.232 -0.668 1
1 1419 . 14 1 1 A 133 133 TYR CA C 133 57.910 56.462 1.448 1
1 1420 . 14 1 1 A 133 133 TYR CB C 133 40.720 43.183 -2.463 1
1 1422 . 14 1 1 A 133 133 TYR N N 133 121.977 118.429 3.548 1
1 1423 . 14 1 1 A 134 134 ASP H H 134 7.303 8.976 -1.673 1
1 1424 . 14 1 1 A 134 134 ASP HA H 134 3.944 5.030 -1.086 1
1 1427 . 14 1 1 A 134 134 ASP CA C 134 52.540 53.399 -0.859 1
1 1428 . 14 1 1 A 134 134 ASP CB C 134 42.900 41.408 1.492 1
1 1429 . 14 1 1 A 134 134 ASP N N 134 127.820 121.009 6.811 1
1 1430 . 14 1 1 A 135 135 SER H H 135 9.392 9.020 0.372 1
1 1431 . 14 1 1 A 135 135 SER HA H 135 3.945 4.272 -0.327 1
1 1434 . 14 1 1 A 135 135 SER CA C 135 61.770 61.045 0.725 1
1 1435 . 14 1 1 A 135 135 SER CB C 135 63.561 62.894 0.667 1
1 1436 . 14 1 1 A 135 135 SER N N 135 127.670 121.190 6.480 1
1 1437 . 14 1 1 A 136 136 GLU H H 136 7.546 7.876 -0.330 1
1 1438 . 14 1 1 A 136 136 GLU HA H 136 4.233 4.496 -0.263 1
1 1443 . 14 1 1 A 136 136 GLU CA C 136 54.796 55.714 -0.918 1
1 1444 . 14 1 1 A 136 136 GLU CB C 136 28.420 28.627 -0.207 1
1 1446 . 14 1 1 A 136 136 GLU N N 136 113.107 118.547 -5.440 1
1 1447 . 14 1 1 A 137 137 GLY H H 137 7.241 8.479 -1.238 1
1 1448 . 14 1 1 A 137 137 GLY HA2 H 137 3.994 4.324 -0.330 1
1 1449 . 14 1 1 A 137 137 GLY HA3 H 137 3.503 4.415 -0.912 1
1 1450 . 14 1 1 A 137 137 GLY CA C 137 44.880 44.482 0.398 1
1 1451 . 14 1 1 A 137 137 GLY N N 137 104.690 111.086 -6.396 1
1 1452 . 14 1 1 A 138 138 PRO HA H 138 4.211 4.377 -0.166 1
1 1459 . 14 1 1 A 138 138 PRO CA C 138 64.830 63.961 0.869 1
1 1460 . 14 1 1 A 138 138 PRO CB C 138 31.180 31.919 -0.739 1
1 1463 . 14 1 1 A 139 139 HIS H H 139 6.414 7.695 -1.281 1
1 1464 . 14 1 1 A 139 139 HIS HA H 139 4.299 4.331 -0.032 1
1 1467 . 14 1 1 A 139 139 HIS CA C 139 55.080 58.166 -3.086 1
1 1468 . 14 1 1 A 139 139 HIS CB C 139 30.260 30.119 0.141 1
1 1470 . 14 1 1 A 139 139 HIS N N 139 116.498 116.076 0.422 1
1 1471 . 14 1 1 A 140 140 GLY H H 140 7.082 8.052 -0.970 1
1 1472 . 14 1 1 A 140 140 GLY HA2 H 140 3.919 3.893 0.026 1
1 1473 . 14 1 1 A 140 140 GLY HA3 H 140 3.721 3.897 -0.176 1
1 1474 . 14 1 1 A 140 140 GLY CA C 140 46.590 45.350 1.240 1
1 1475 . 14 1 1 A 140 140 GLY N N 140 108.485 106.051 2.434 1
1 1476 . 14 1 1 A 141 141 LEU HA H 141 4.451 4.503 -0.052 1
1 1483 . 14 1 1 A 141 141 LEU CA C 141 53.024 53.852 -0.828 1
1 1484 . 14 1 1 A 141 141 LEU CB C 141 39.500 41.286 -1.786 1
1 1487 . 14 1 1 A 142 142 ARG H H 142 7.472 7.994 -0.522 1
1 1488 . 14 1 1 A 142 142 ARG HA H 142 4.724 4.572 0.152 1
1 1493 . 14 1 1 A 142 142 ARG CA C 142 55.940 55.577 0.363 1
1 1494 . 14 1 1 A 142 142 ARG CB C 142 31.070 31.325 -0.255 1
1 1497 . 14 1 1 A 142 142 ARG N N 142 121.987 121.078 0.909 1
1 1499 . 14 1 1 A 143 143 TYR H H 143 8.487 8.332 0.155 1
1 1500 . 14 1 1 A 143 143 TYR HA H 143 4.474 4.725 -0.251 1
1 1507 . 14 1 1 A 143 143 TYR CA C 143 59.015 59.439 -0.424 1
1 1508 . 14 1 1 A 143 143 TYR CB C 143 38.720 39.241 -0.521 1
1 1511 . 14 1 1 A 143 143 TYR N N 143 127.896 122.576 5.320 1
1 1512 . 14 1 1 A 144 144 ASN H H 144 7.805 7.867 -0.062 1
1 1513 . 14 1 1 A 144 144 ASN HA H 144 4.892 5.293 -0.401 1
1 1518 . 14 1 1 A 144 144 ASN CA C 144 50.120 50.315 -0.195 1
1 1519 . 14 1 1 A 144 144 ASN CB C 144 39.360 39.199 0.161 1
1 1520 . 14 1 1 A 144 144 ASN N N 144 125.629 125.665 -0.036 1
1 1522 . 14 1 1 A 145 145 PRO HA H 145 3.975 3.885 0.090 1
1 1528 . 14 1 1 A 145 145 PRO CA C 145 63.140 64.438 -1.298 1
1 1529 . 14 1 1 A 145 145 PRO CB C 145 32.386 31.736 0.650 1
1 1532 . 14 1 1 A 146 146 ARG H H 146 8.055 7.898 0.157 1
1 1533 . 14 1 1 A 146 146 ARG HA H 146 3.918 4.572 -0.654 1
1 1541 . 14 1 1 A 146 146 ARG CA C 146 56.740 55.125 1.615 1
1 1542 . 14 1 1 A 146 146 ARG CB C 146 30.430 32.432 -2.002 1
1 1545 . 14 1 1 A 146 146 ARG N N 146 120.069 116.864 3.205 1
1 1547 . 14 1 1 A 147 147 GLU H H 147 8.440 8.008 0.432 1
1 1548 . 14 1 1 A 147 147 GLU HA H 147 4.167 4.095 0.072 1
1 1552 . 14 1 1 A 147 147 GLU CA C 147 56.710 59.168 -2.458 1
1 1553 . 14 1 1 A 147 147 GLU CB C 147 30.150 29.627 0.523 1
1 1555 . 14 1 1 A 147 147 GLU N N 147 120.760 119.508 1.252 1
1 1556 . 14 1 1 A 148 148 ASN H H 148 8.363 7.752 0.611 1
1 1557 . 14 1 1 A 148 148 ASN HA H 148 4.652 4.942 -0.290 1
1 1562 . 14 1 1 A 148 148 ASN CA C 148 53.240 51.616 1.624 1
1 1563 . 14 1 1 A 148 148 ASN CB C 148 38.840 37.904 0.936 1
1 1564 . 14 1 1 A 148 148 ASN N N 148 120.210 112.978 7.232 1
1 1 . 15 1 1 A 2 2 ALA HA H 2 4.182 4.455 -0.273 1
1 5 . 15 1 1 A 2 2 ALA CA C 2 51.510 52.364 -0.854 1
1 6 . 15 1 1 A 2 2 ALA CB C 2 20.090 20.085 0.005 1
1 7 . 15 1 1 A 3 3 HIS H H 3 9.173 9.354 -0.181 1
1 8 . 15 1 1 A 3 3 HIS HA H 3 5.839 5.417 0.422 1
1 12 . 15 1 1 A 3 3 HIS CA C 3 56.960 54.950 2.010 1
1 13 . 15 1 1 A 3 3 HIS CB C 3 32.820 32.791 0.029 1
1 15 . 15 1 1 A 3 3 HIS N N 3 118.801 117.511 1.290 1
1 16 . 15 1 1 A 4 4 ILE H H 4 9.494 9.195 0.299 1
1 17 . 15 1 1 A 4 4 ILE HA H 4 5.508 5.230 0.278 1
1 27 . 15 1 1 A 4 4 ILE CA C 4 58.300 59.271 -0.971 1
1 28 . 15 1 1 A 4 4 ILE CB C 4 41.930 42.292 -0.362 1
1 32 . 15 1 1 A 4 4 ILE N N 4 118.202 117.845 0.357 1
1 33 . 15 1 1 A 5 5 PHE H H 5 8.815 8.656 0.159 1
1 34 . 15 1 1 A 5 5 PHE HA H 5 5.789 5.410 0.379 1
1 42 . 15 1 1 A 5 5 PHE CA C 5 55.153 56.263 -1.110 1
1 43 . 15 1 1 A 5 5 PHE CB C 5 40.740 42.802 -2.062 1
1 47 . 15 1 1 A 5 5 PHE N N 5 126.107 124.668 1.439 1
1 48 . 15 1 1 A 6 6 VAL H H 6 9.078 8.272 0.806 1
1 49 . 15 1 1 A 6 6 VAL HA H 6 4.357 4.170 0.187 1
1 57 . 15 1 1 A 6 6 VAL CA C 6 59.157 61.959 -2.802 1
1 58 . 15 1 1 A 6 6 VAL CB C 6 33.473 32.778 0.695 1
1 61 . 15 1 1 A 6 6 VAL N N 6 118.658 124.560 -5.902 1
1 62 . 15 1 1 A 7 7 TYR H H 7 6.878 8.540 -1.662 1
1 63 . 15 1 1 A 7 7 TYR HA H 7 4.170 5.074 -0.904 1
1 66 . 15 1 1 A 7 7 TYR CB C 7 36.608 40.804 -4.196 1
1 67 . 15 1 1 A 7 7 TYR N N 7 116.860 125.690 -8.830 1
1 68 . 15 1 1 A 8 8 GLY HA2 H 8 4.195 2.739 1.456 1
1 69 . 15 1 1 A 8 8 GLY HA3 H 8 2.933 3.181 -0.248 1
1 70 . 15 1 1 A 8 8 GLY CA C 8 46.169 46.000 0.169 1
1 71 . 15 1 1 A 9 9 THR H H 9 7.618 7.826 -0.208 1
1 72 . 15 1 1 A 9 9 THR HA H 9 3.831 3.988 -0.157 1
1 77 . 15 1 1 A 9 9 THR CA C 9 64.570 64.008 0.562 1
1 78 . 15 1 1 A 9 9 THR CB C 9 68.494 69.160 -0.666 1
1 80 . 15 1 1 A 9 9 THR N N 9 115.934 112.327 3.607 1
1 81 . 15 1 1 A 10 10 LEU H H 10 7.561 7.246 0.315 1
1 82 . 15 1 1 A 10 10 LEU HA H 10 3.673 4.210 -0.537 1
1 92 . 15 1 1 A 10 10 LEU CA C 10 55.950 54.379 1.571 1
1 93 . 15 1 1 A 10 10 LEU CB C 10 41.610 42.577 -0.967 1
1 97 . 15 1 1 A 10 10 LEU N N 10 120.151 120.334 -0.183 1
1 98 . 15 1 1 A 11 11 LYS H H 11 6.738 7.808 -1.070 1
1 99 . 15 1 1 A 11 11 LYS HA H 11 4.007 4.102 -0.095 1
1 103 . 15 1 1 A 11 11 LYS CA C 11 57.390 58.364 -0.974 1
1 104 . 15 1 1 A 11 11 LYS CB C 11 34.322 32.578 1.744 1
1 106 . 15 1 1 A 11 11 LYS N N 11 116.295 119.977 -3.682 1
1 107 . 15 1 1 A 12 12 ARG H H 12 9.432 8.115 1.317 1
1 108 . 15 1 1 A 12 12 ARG HA H 12 2.029 4.745 -2.716 1
1 115 . 15 1 1 A 12 12 ARG CA C 12 58.420 57.734 0.686 1
1 116 . 15 1 1 A 12 12 ARG CB C 12 29.190 32.102 -2.912 1
1 119 . 15 1 1 A 12 12 ARG N N 12 120.863 118.673 2.190 1
1 120 . 15 1 1 A 13 13 GLY H H 13 8.048 7.638 0.410 1
1 121 . 15 1 1 A 13 13 GLY HA2 H 13 3.990 4.156 -0.166 1
1 122 . 15 1 1 A 13 13 GLY HA3 H 13 3.538 4.293 -0.755 1
1 123 . 15 1 1 A 13 13 GLY CA C 13 45.490 45.835 -0.345 1
1 124 . 15 1 1 A 13 13 GLY N N 13 111.120 106.608 4.512 1
1 125 . 15 1 1 A 14 14 GLN H H 14 7.904 7.597 0.307 1
1 126 . 15 1 1 A 14 14 GLN HA H 14 4.682 4.415 0.267 1
1 133 . 15 1 1 A 14 14 GLN CA C 14 53.440 54.600 -1.160 1
1 134 . 15 1 1 A 14 14 GLN CB C 14 27.115 28.015 -0.900 1
1 136 . 15 1 1 A 14 14 GLN N N 14 117.811 120.444 -2.633 1
1 138 . 15 1 1 A 15 15 PRO HA H 15 4.342 4.534 -0.192 1
1 145 . 15 1 1 A 15 15 PRO CA C 15 66.870 64.196 2.674 1
1 146 . 15 1 1 A 15 15 PRO CB C 15 34.060 31.738 2.322 1
1 149 . 15 1 1 A 16 16 ASN H H 16 8.287 8.514 -0.227 1
1 150 . 15 1 1 A 16 16 ASN HA H 16 5.356 4.720 0.636 1
1 155 . 15 1 1 A 16 16 ASN CA C 16 52.230 54.121 -1.891 1
1 156 . 15 1 1 A 16 16 ASN CB C 16 39.030 39.188 -0.158 1
1 157 . 15 1 1 A 16 16 ASN N N 16 110.638 116.431 -5.793 1
1 159 . 15 1 1 A 17 17 HIS H H 17 7.819 8.054 -0.235 1
1 160 . 15 1 1 A 17 17 HIS HA H 17 3.815 4.013 -0.198 1
1 164 . 15 1 1 A 17 17 HIS CA C 17 60.140 60.107 0.033 1
1 165 . 15 1 1 A 17 17 HIS CB C 17 27.680 30.130 -2.450 1
1 167 . 15 1 1 A 17 17 HIS N N 17 121.058 120.510 0.548 1
1 168 . 15 1 1 A 18 18 LYS H H 18 8.326 8.299 0.027 1
1 169 . 15 1 1 A 18 18 LYS HA H 18 3.695 3.933 -0.238 1
1 175 . 15 1 1 A 18 18 LYS CA C 18 58.890 58.695 0.195 1
1 176 . 15 1 1 A 18 18 LYS CB C 18 31.070 31.777 -0.707 1
1 180 . 15 1 1 A 18 18 LYS N N 18 112.812 117.043 -4.231 1
1 181 . 15 1 1 A 19 19 VAL H H 19 7.373 7.695 -0.322 1
1 182 . 15 1 1 A 19 19 VAL HA H 19 3.816 3.686 0.130 1
1 190 . 15 1 1 A 19 19 VAL CA C 19 64.960 64.254 0.706 1
1 191 . 15 1 1 A 19 19 VAL CB C 19 30.960 31.168 -0.208 1
1 194 . 15 1 1 A 19 19 VAL N N 19 117.691 115.630 2.061 1
1 195 . 15 1 1 A 20 20 MET H H 20 7.329 8.060 -0.731 1
1 196 . 15 1 1 A 20 20 MET HA H 20 3.951 4.522 -0.571 1
1 204 . 15 1 1 A 20 20 MET CA C 20 55.560 54.629 0.931 1
1 205 . 15 1 1 A 20 20 MET CB C 20 31.460 33.459 -1.999 1
1 208 . 15 1 1 A 20 20 MET N N 20 114.870 119.146 -4.276 1
1 209 . 15 1 1 A 21 21 LEU H H 21 6.718 7.772 -1.054 1
1 210 . 15 1 1 A 21 21 LEU HA H 21 4.091 4.556 -0.465 1
1 220 . 15 1 1 A 21 21 LEU CA C 21 54.140 54.282 -0.142 1
1 221 . 15 1 1 A 21 21 LEU CB C 21 42.310 42.679 -0.369 1
1 225 . 15 1 1 A 21 21 LEU N N 21 116.021 119.173 -3.152 1
1 226 . 15 1 1 A 22 22 ASP H H 22 6.399 7.665 -1.266 1
1 227 . 15 1 1 A 22 22 ASP HA H 22 4.288 4.850 -0.562 1
1 229 . 15 1 1 A 22 22 ASP CA C 22 52.776 52.746 0.030 1
1 230 . 15 1 1 A 22 22 ASP CB C 22 40.180 41.477 -1.297 1
1 231 . 15 1 1 A 22 22 ASP N N 22 117.972 120.914 -2.942 1
1 232 . 15 1 1 A 23 23 HIS H H 23 8.601 8.816 -0.215 1
1 233 . 15 1 1 A 23 23 HIS HA H 23 4.848 4.282 0.566 1
1 237 . 15 1 1 A 23 23 HIS CA C 23 55.800 59.202 -3.402 1
1 238 . 15 1 1 A 23 23 HIS CB C 23 27.860 30.229 -2.369 1
1 240 . 15 1 1 A 23 23 HIS N N 23 123.395 125.946 -2.551 1
1 241 . 15 1 1 A 24 24 SER H H 24 8.526 8.219 0.307 1
1 242 . 15 1 1 A 24 24 SER HA H 24 4.105 4.014 0.091 1
1 244 . 15 1 1 A 24 24 SER CA C 24 60.870 60.609 0.261 1
1 245 . 15 1 1 A 24 24 SER CB C 24 62.510 63.253 -0.743 1
1 246 . 15 1 1 A 24 24 SER N N 24 117.035 113.879 3.156 1
1 247 . 15 1 1 A 25 25 HIS H H 25 7.450 8.079 -0.629 1
1 248 . 15 1 1 A 25 25 HIS HA H 25 4.494 4.337 0.157 1
1 252 . 15 1 1 A 25 25 HIS CA C 25 53.900 55.924 -2.024 1
1 253 . 15 1 1 A 25 25 HIS CB C 25 28.320 29.536 -1.216 1
1 255 . 15 1 1 A 25 25 HIS N N 25 117.560 116.687 0.873 1
1 256 . 15 1 1 A 26 26 GLY H H 26 6.926 7.635 -0.709 1
1 257 . 15 1 1 A 26 26 GLY HA2 H 26 3.587 4.012 -0.425 1
1 258 . 15 1 1 A 26 26 GLY HA3 H 26 4.362 4.052 0.310 1
1 259 . 15 1 1 A 26 26 GLY CA C 26 43.730 43.830 -0.100 1
1 260 . 15 1 1 A 26 26 GLY N N 26 103.120 106.780 -3.660 1
1 261 . 15 1 1 A 27 27 LEU H H 27 8.579 8.784 -0.205 1
1 262 . 15 1 1 A 27 27 LEU HA H 27 4.327 4.826 -0.499 1
1 271 . 15 1 1 A 27 27 LEU CA C 27 54.520 54.195 0.325 1
1 272 . 15 1 1 A 27 27 LEU CB C 27 44.250 43.627 0.623 1
1 276 . 15 1 1 A 27 27 LEU N N 27 121.940 121.754 0.186 1
1 277 . 15 1 1 A 28 28 ALA H H 28 7.776 8.924 -1.148 1
1 278 . 15 1 1 A 28 28 ALA HA H 28 5.231 5.540 -0.309 1
1 282 . 15 1 1 A 28 28 ALA CA C 28 50.990 50.616 0.374 1
1 283 . 15 1 1 A 28 28 ALA CB C 28 22.580 22.473 0.107 1
1 284 . 15 1 1 A 28 28 ALA N N 28 123.020 128.578 -5.558 1
1 285 . 15 1 1 A 29 29 ALA H H 29 9.231 8.844 0.387 1
1 286 . 15 1 1 A 29 29 ALA HA H 29 4.857 5.309 -0.452 1
1 290 . 15 1 1 A 29 29 ALA CA C 29 50.661 50.622 0.039 1
1 291 . 15 1 1 A 29 29 ALA CB C 29 21.140 22.894 -1.754 1
1 292 . 15 1 1 A 29 29 ALA N N 29 125.760 122.108 3.652 1
1 293 . 15 1 1 A 30 30 PHE H H 30 9.083 9.044 0.039 1
1 294 . 15 1 1 A 30 30 PHE HA H 30 3.397 4.114 -0.717 1
1 301 . 15 1 1 A 30 30 PHE CA C 30 59.895 58.384 1.511 1
1 302 . 15 1 1 A 30 30 PHE CB C 30 38.810 39.067 -0.257 1
1 305 . 15 1 1 A 30 30 PHE N N 30 126.590 124.352 2.238 1
1 306 . 15 1 1 A 31 31 ARG H H 31 8.102 8.199 -0.097 1
1 307 . 15 1 1 A 31 31 ARG HA H 31 3.941 4.070 -0.129 1
1 314 . 15 1 1 A 31 31 ARG CA C 31 53.120 54.200 -1.080 1
1 315 . 15 1 1 A 31 31 ARG CB C 31 31.665 30.420 1.245 1
1 318 . 15 1 1 A 31 31 ARG N N 31 125.007 127.305 -2.298 1
1 320 . 15 1 1 A 32 32 GLY H H 32 5.465 6.890 -1.425 1
1 321 . 15 1 1 A 32 32 GLY HA2 H 32 3.264 3.359 -0.095 1
1 322 . 15 1 1 A 32 32 GLY HA3 H 32 4.670 3.729 0.941 1
1 323 . 15 1 1 A 32 32 GLY CA C 32 45.150 44.530 0.620 1
1 324 . 15 1 1 A 32 32 GLY N N 32 101.400 112.637 -11.237 1
1 325 . 15 1 1 A 33 33 ARG H H 33 8.345 8.287 0.058 1
1 326 . 15 1 1 A 33 33 ARG HA H 33 5.158 5.141 0.017 1
1 332 . 15 1 1 A 33 33 ARG CA C 33 54.924 54.281 0.643 1
1 333 . 15 1 1 A 33 33 ARG CB C 33 34.180 34.495 -0.315 1
1 336 . 15 1 1 A 33 33 ARG N N 33 116.822 117.853 -1.031 1
1 338 . 15 1 1 A 34 34 GLY H H 34 8.549 8.421 0.128 1
1 339 . 15 1 1 A 34 34 GLY HA2 H 34 5.154 4.367 0.787 1
1 340 . 15 1 1 A 34 34 GLY HA3 H 34 3.752 4.452 -0.700 1
1 341 . 15 1 1 A 34 34 GLY CA C 34 45.620 45.937 -0.317 1
1 342 . 15 1 1 A 34 34 GLY N N 34 107.400 106.301 1.099 1
1 343 . 15 1 1 A 35 35 CYS H H 35 8.803 8.656 0.147 1
1 344 . 15 1 1 A 35 35 CYS HA H 35 5.893 5.580 0.313 1
1 347 . 15 1 1 A 35 35 CYS CA C 35 55.420 58.076 -2.656 1
1 348 . 15 1 1 A 35 35 CYS CB C 35 30.960 31.875 -0.915 1
1 349 . 15 1 1 A 35 35 CYS N N 35 117.781 119.493 -1.712 1
1 350 . 15 1 1 A 36 36 THR H H 36 9.033 8.700 0.333 1
1 351 . 15 1 1 A 36 36 THR HA H 36 3.835 4.292 -0.457 1
1 356 . 15 1 1 A 36 36 THR CA C 36 64.160 61.771 2.389 1
1 357 . 15 1 1 A 36 36 THR CB C 36 68.200 68.547 -0.347 1
1 359 . 15 1 1 A 36 36 THR N N 36 117.973 116.272 1.701 1
1 360 . 15 1 1 A 37 37 VAL H H 37 7.545 7.871 -0.326 1
1 361 . 15 1 1 A 37 37 VAL HA H 37 3.709 3.784 -0.075 1
1 369 . 15 1 1 A 37 37 VAL CA C 37 65.740 65.191 0.549 1
1 370 . 15 1 1 A 37 37 VAL CB C 37 32.410 31.416 0.994 1
1 373 . 15 1 1 A 37 37 VAL N N 37 121.706 122.362 -0.656 1
1 374 . 15 1 1 A 38 38 GLU H H 38 8.540 7.248 1.292 1
1 375 . 15 1 1 A 38 38 GLU HA H 38 4.264 4.101 0.163 1
1 380 . 15 1 1 A 38 38 GLU CA C 38 54.260 56.652 -2.392 1
1 381 . 15 1 1 A 38 38 GLU CB C 38 30.770 29.803 0.967 1
1 383 . 15 1 1 A 38 38 GLU N N 38 119.219 123.928 -4.709 1
1 384 . 15 1 1 A 39 39 SER H H 39 8.692 8.149 0.543 1
1 385 . 15 1 1 A 39 39 SER HA H 39 4.035 4.429 -0.394 1
1 388 . 15 1 1 A 39 39 SER CA C 39 57.370 59.527 -2.157 1
1 389 . 15 1 1 A 39 39 SER CB C 39 63.760 63.792 -0.032 1
1 390 . 15 1 1 A 39 39 SER N N 39 118.941 120.310 -1.369 1
1 391 . 15 1 1 A 40 40 PHE H H 40 8.302 8.810 -0.508 1
1 392 . 15 1 1 A 40 40 PHE HA H 40 4.986 4.867 0.119 1
1 400 . 15 1 1 A 40 40 PHE CA C 40 57.320 55.570 1.750 1
1 401 . 15 1 1 A 40 40 PHE CB C 40 44.292 42.523 1.769 1
1 405 . 15 1 1 A 40 40 PHE N N 40 119.300 121.626 -2.326 1
1 406 . 15 1 1 A 41 41 PRO HA H 41 3.828 4.235 -0.407 1
1 413 . 15 1 1 A 41 41 PRO CA C 41 62.270 62.186 0.084 1
1 414 . 15 1 1 A 41 41 PRO CB C 41 30.790 30.652 0.138 1
1 417 . 15 1 1 A 42 42 LEU H H 42 7.964 8.495 -0.531 1
1 418 . 15 1 1 A 42 42 LEU HA H 42 5.352 5.044 0.308 1
1 427 . 15 1 1 A 42 42 LEU CA C 42 53.830 54.599 -0.769 1
1 428 . 15 1 1 A 42 42 LEU CB C 42 42.380 43.266 -0.886 1
1 431 . 15 1 1 A 42 42 LEU N N 42 129.948 123.854 6.094 1
1 432 . 15 1 1 A 43 43 VAL H H 43 8.607 9.100 -0.493 1
1 433 . 15 1 1 A 43 43 VAL HA H 43 5.296 5.139 0.157 1
1 441 . 15 1 1 A 43 43 VAL CA C 43 58.040 59.180 -1.140 1
1 442 . 15 1 1 A 43 43 VAL CB C 43 35.220 35.539 -0.319 1
1 445 . 15 1 1 A 43 43 VAL N N 43 117.190 120.392 -3.202 1
1 446 . 15 1 1 A 44 44 ILE H H 44 9.056 8.813 0.243 1
1 447 . 15 1 1 A 44 44 ILE HA H 44 4.426 4.718 -0.292 1
1 457 . 15 1 1 A 44 44 ILE CA C 44 61.156 60.758 0.398 1
1 458 . 15 1 1 A 44 44 ILE CB C 44 38.544 38.480 0.064 1
1 462 . 15 1 1 A 44 44 ILE N N 44 122.963 123.518 -0.555 1
1 463 . 15 1 1 A 45 45 ALA H H 45 8.701 8.534 0.167 1
1 464 . 15 1 1 A 45 45 ALA HA H 45 4.626 4.937 -0.311 1
1 468 . 15 1 1 A 45 45 ALA CA C 45 51.430 51.147 0.283 1
1 469 . 15 1 1 A 45 45 ALA CB C 45 21.670 22.523 -0.853 1
1 470 . 15 1 1 A 45 45 ALA N N 45 126.347 128.433 -2.086 1
1 471 . 15 1 1 A 46 46 GLY H H 46 8.486 8.492 -0.006 1
1 472 . 15 1 1 A 46 46 GLY HA2 H 46 4.587 4.370 0.217 1
1 473 . 15 1 1 A 46 46 GLY HA3 H 46 4.084 4.418 -0.334 1
1 474 . 15 1 1 A 46 46 GLY CA C 46 44.500 44.679 -0.179 1
1 475 . 15 1 1 A 46 46 GLY N N 46 108.262 108.328 -0.066 1
1 476 . 15 1 1 A 47 47 GLU H H 47 8.938 8.852 0.086 1
1 477 . 15 1 1 A 47 47 GLU HA H 47 4.003 4.055 -0.052 1
1 480 . 15 1 1 A 47 47 GLU CA C 47 58.820 58.647 0.173 1
1 481 . 15 1 1 A 47 47 GLU CB C 47 29.500 29.472 0.028 1
1 482 . 15 1 1 A 47 47 GLU N N 47 118.010 120.974 -2.964 1
1 483 . 15 1 1 A 48 48 HIS H H 48 8.742 7.760 0.982 1
1 484 . 15 1 1 A 48 48 HIS HA H 48 4.704 4.577 0.127 1
1 488 . 15 1 1 A 48 48 HIS CA C 48 55.130 55.618 -0.488 1
1 489 . 15 1 1 A 48 48 HIS CB C 48 29.110 30.116 -1.006 1
1 491 . 15 1 1 A 48 48 HIS N N 48 115.306 114.440 0.866 1
1 492 . 15 1 1 A 49 49 ASN H H 49 7.810 7.853 -0.043 1
1 493 . 15 1 1 A 49 49 ASN HA H 49 3.878 4.159 -0.281 1
1 498 . 15 1 1 A 49 49 ASN CA C 49 53.876 54.224 -0.348 1
1 499 . 15 1 1 A 49 49 ASN CB C 49 36.030 36.842 -0.812 1
1 500 . 15 1 1 A 49 49 ASN N N 49 114.919 114.440 0.479 1
1 502 . 15 1 1 A 50 50 ILE H H 50 7.046 7.873 -0.827 1
1 503 . 15 1 1 A 50 50 ILE HA H 50 4.022 4.490 -0.468 1
1 513 . 15 1 1 A 50 50 ILE CA C 50 59.430 58.044 1.386 1
1 514 . 15 1 1 A 50 50 ILE CB C 50 41.326 38.265 3.061 1
1 518 . 15 1 1 A 50 50 ILE N N 50 120.995 119.975 1.020 1
1 519 . 15 1 1 A 51 51 PRO HA H 51 5.194 4.605 0.589 1
1 521 . 15 1 1 A 51 51 PRO CA C 51 60.560 62.435 -1.875 1
1 522 . 15 1 1 A 51 51 PRO CB C 51 31.841 32.910 -1.069 1
1 523 . 15 1 1 A 52 52 TRP H H 52 9.564 8.722 0.842 1
1 524 . 15 1 1 A 52 52 TRP HA H 52 4.805 5.629 -0.824 1
1 532 . 15 1 1 A 52 52 TRP CA C 52 56.550 55.794 0.756 1
1 533 . 15 1 1 A 52 52 TRP CB C 52 32.300 33.342 -1.042 1
1 539 . 15 1 1 A 52 52 TRP N N 52 123.070 121.142 1.928 1
1 541 . 15 1 1 A 53 53 LEU H H 53 7.227 9.193 -1.966 1
1 542 . 15 1 1 A 53 53 LEU HA H 53 4.863 5.229 -0.366 1
1 552 . 15 1 1 A 53 53 LEU CA C 53 53.790 53.911 -0.121 1
1 553 . 15 1 1 A 53 53 LEU CB C 53 42.250 44.016 -1.766 1
1 557 . 15 1 1 A 53 53 LEU N N 53 124.700 123.926 0.774 1
1 558 . 15 1 1 A 54 54 LEU H H 54 9.021 8.560 0.461 1
1 559 . 15 1 1 A 54 54 LEU HA H 54 4.618 4.403 0.215 1
1 569 . 15 1 1 A 54 54 LEU CA C 54 54.030 55.236 -1.206 1
1 570 . 15 1 1 A 54 54 LEU CB C 54 40.360 41.647 -1.287 1
1 574 . 15 1 1 A 54 54 LEU N N 54 126.893 127.951 -1.058 1
1 575 . 15 1 1 A 55 55 TYR H H 55 8.884 9.057 -0.173 1
1 576 . 15 1 1 A 55 55 TYR HA H 55 4.562 4.680 -0.118 1
1 583 . 15 1 1 A 55 55 TYR CA C 55 58.420 57.135 1.285 1
1 584 . 15 1 1 A 55 55 TYR CB C 55 36.180 38.422 -2.242 1
1 587 . 15 1 1 A 55 55 TYR N N 55 123.430 125.951 -2.521 1
1 588 . 15 1 1 A 56 56 LEU H H 56 8.192 8.435 -0.243 1
1 589 . 15 1 1 A 56 56 LEU HA H 56 4.530 4.642 -0.112 1
1 598 . 15 1 1 A 56 56 LEU CA C 56 51.720 51.785 -0.065 1
1 599 . 15 1 1 A 56 56 LEU CB C 56 43.260 43.305 -0.045 1
1 602 . 15 1 1 A 56 56 LEU N N 56 130.832 129.317 1.515 1
1 603 . 15 1 1 A 57 57 PRO HA H 57 3.779 3.760 0.019 1
1 610 . 15 1 1 A 57 57 PRO CA C 57 62.240 63.590 -1.350 1
1 611 . 15 1 1 A 57 57 PRO CB C 57 31.130 31.142 -0.012 1
1 614 . 15 1 1 A 58 58 GLY H H 58 8.908 8.881 0.027 1
1 615 . 15 1 1 A 58 58 GLY HA2 H 58 4.027 3.648 0.379 1
1 616 . 15 1 1 A 58 58 GLY HA3 H 58 3.433 3.678 -0.245 1
1 617 . 15 1 1 A 58 58 GLY CA C 58 44.860 44.959 -0.099 1
1 618 . 15 1 1 A 58 58 GLY N N 58 112.351 112.544 -0.193 1
1 619 . 15 1 1 A 59 59 LYS H H 59 7.214 7.341 -0.127 1
1 620 . 15 1 1 A 59 59 LYS HA H 59 4.386 4.437 -0.051 1
1 629 . 15 1 1 A 59 59 LYS CA C 59 53.760 54.813 -1.053 1
1 630 . 15 1 1 A 59 59 LYS CB C 59 34.590 34.879 -0.289 1
1 634 . 15 1 1 A 59 59 LYS N N 59 121.458 119.943 1.515 1
1 635 . 15 1 1 A 60 60 GLY H H 60 8.312 8.279 0.033 1
1 636 . 15 1 1 A 60 60 GLY HA2 H 60 3.379 3.330 0.049 1
1 637 . 15 1 1 A 60 60 GLY HA3 H 60 3.229 3.348 -0.119 1
1 638 . 15 1 1 A 60 60 GLY CA C 60 45.350 45.683 -0.333 1
1 639 . 15 1 1 A 60 60 GLY N N 60 103.990 109.071 -5.081 1
1 640 . 15 1 1 A 61 61 HIS H H 61 7.880 7.824 0.056 1
1 641 . 15 1 1 A 61 61 HIS HA H 61 4.868 5.303 -0.435 1
1 645 . 15 1 1 A 61 61 HIS CA C 61 53.920 54.783 -0.863 1
1 646 . 15 1 1 A 61 61 HIS CB C 61 33.020 34.486 -1.466 1
1 648 . 15 1 1 A 61 61 HIS N N 61 121.221 119.400 1.821 1
1 649 . 15 1 1 A 62 62 CYS H H 62 8.760 8.566 0.194 1
1 650 . 15 1 1 A 62 62 CYS HA H 62 4.248 4.853 -0.605 1
1 653 . 15 1 1 A 62 62 CYS CA C 62 61.730 57.758 3.972 1
1 654 . 15 1 1 A 62 62 CYS CB C 62 26.560 27.429 -0.869 1
1 655 . 15 1 1 A 62 62 CYS N N 62 121.842 120.584 1.258 1
1 656 . 15 1 1 A 63 63 VAL H H 63 8.109 8.639 -0.530 1
1 657 . 15 1 1 A 63 63 VAL HA H 63 4.869 4.476 0.393 1
1 665 . 15 1 1 A 63 63 VAL CA C 63 62.210 62.974 -0.764 1
1 666 . 15 1 1 A 63 63 VAL CB C 63 34.780 31.888 2.892 1
1 669 . 15 1 1 A 63 63 VAL N N 63 127.029 126.758 0.271 1
1 670 . 15 1 1 A 64 64 THR H H 64 8.453 8.756 -0.303 1
1 671 . 15 1 1 A 64 64 THR HA H 64 5.349 4.972 0.377 1
1 676 . 15 1 1 A 64 64 THR CA C 64 61.100 61.154 -0.054 1
1 677 . 15 1 1 A 64 64 THR CB C 64 70.790 70.180 0.610 1
1 679 . 15 1 1 A 64 64 THR N N 64 116.830 119.051 -2.221 1
1 680 . 15 1 1 A 65 65 GLY H H 65 8.663 8.639 0.024 1
1 681 . 15 1 1 A 65 65 GLY HA2 H 65 4.085 3.691 0.394 1
1 682 . 15 1 1 A 65 65 GLY HA3 H 65 3.480 4.181 -0.701 1
1 683 . 15 1 1 A 65 65 GLY CA C 65 46.570 45.872 0.698 1
1 684 . 15 1 1 A 65 65 GLY N N 65 107.680 108.933 -1.253 1
1 685 . 15 1 1 A 66 66 GLU H H 66 8.574 8.299 0.275 1
1 686 . 15 1 1 A 66 66 GLU HA H 66 5.150 4.975 0.175 1
1 689 . 15 1 1 A 66 66 GLU CA C 66 54.450 54.757 -0.307 1
1 690 . 15 1 1 A 66 66 GLU CB C 66 37.328 33.121 4.207 1
1 691 . 15 1 1 A 66 66 GLU N N 66 120.921 119.725 1.196 1
1 692 . 15 1 1 A 67 67 ILE H H 67 8.623 8.050 0.573 1
1 693 . 15 1 1 A 67 67 ILE HA H 67 5.149 5.025 0.124 1
1 703 . 15 1 1 A 67 67 ILE CA C 67 60.180 60.013 0.167 1
1 704 . 15 1 1 A 67 67 ILE CB C 67 40.210 39.847 0.363 1
1 708 . 15 1 1 A 67 67 ILE N N 67 121.340 121.120 0.220 1
1 709 . 15 1 1 A 68 68 TYR H H 68 9.196 9.248 -0.052 1
1 710 . 15 1 1 A 68 68 TYR HA H 68 5.001 5.317 -0.316 1
1 717 . 15 1 1 A 68 68 TYR CA C 68 56.270 56.400 -0.130 1
1 718 . 15 1 1 A 68 68 TYR CB C 68 41.480 41.567 -0.087 1
1 721 . 15 1 1 A 68 68 TYR N N 68 123.650 126.006 -2.356 1
1 722 . 15 1 1 A 69 69 GLU H H 69 9.302 9.098 0.204 1
1 723 . 15 1 1 A 69 69 GLU HA H 69 5.066 4.683 0.383 1
1 728 . 15 1 1 A 69 69 GLU CA C 69 55.180 56.894 -1.714 1
1 729 . 15 1 1 A 69 69 GLU CB C 69 31.420 30.707 0.713 1
1 731 . 15 1 1 A 69 69 GLU N N 69 124.090 125.037 -0.947 1
1 732 . 15 1 1 A 70 70 VAL H H 70 8.908 8.703 0.205 1
1 733 . 15 1 1 A 70 70 VAL HA H 70 5.556 5.163 0.393 1
1 741 . 15 1 1 A 70 70 VAL CA C 70 57.780 58.968 -1.188 1
1 742 . 15 1 1 A 70 70 VAL CB C 70 35.400 36.087 -0.687 1
1 745 . 15 1 1 A 70 70 VAL N N 70 119.540 119.407 0.133 1
1 746 . 15 1 1 A 71 71 ASP H H 71 7.939 8.131 -0.192 1
1 747 . 15 1 1 A 71 71 ASP HA H 71 4.909 4.963 -0.054 1
1 750 . 15 1 1 A 71 71 ASP CA C 71 51.240 52.147 -0.907 1
1 751 . 15 1 1 A 71 71 ASP CB C 71 42.210 41.634 0.576 1
1 752 . 15 1 1 A 71 71 ASP N N 71 120.720 122.321 -1.601 1
1 753 . 15 1 1 A 72 72 GLU H H 72 8.364 8.771 -0.407 1
1 754 . 15 1 1 A 72 72 GLU HA H 72 3.869 4.253 -0.384 1
1 757 . 15 1 1 A 72 72 GLU CA C 72 59.775 58.274 1.501 1
1 758 . 15 1 1 A 72 72 GLU CB C 72 29.140 29.344 -0.204 1
1 760 . 15 1 1 A 72 72 GLU N N 72 117.910 118.979 -1.069 1
1 761 . 15 1 1 A 73 73 GLN H H 73 7.960 7.705 0.255 1
1 762 . 15 1 1 A 73 73 GLN HA H 73 3.899 4.179 -0.280 1
1 767 . 15 1 1 A 73 73 GLN CA C 73 59.570 58.128 1.442 1
1 768 . 15 1 1 A 73 73 GLN CB C 73 27.810 28.832 -1.022 1
1 770 . 15 1 1 A 73 73 GLN N N 73 119.617 120.423 -0.806 1
1 772 . 15 1 1 A 74 74 MET H H 74 8.489 8.405 0.084 1
1 773 . 15 1 1 A 74 74 MET HA H 74 4.766 4.539 0.227 1
1 780 . 15 1 1 A 74 74 MET CA C 74 56.790 58.574 -1.784 1
1 781 . 15 1 1 A 74 74 MET CB C 74 31.900 32.431 -0.531 1
1 784 . 15 1 1 A 74 74 MET N N 74 121.800 119.271 2.529 1
1 785 . 15 1 1 A 75 75 LEU H H 75 8.162 8.216 -0.054 1
1 786 . 15 1 1 A 75 75 LEU HA H 75 3.897 4.143 -0.246 1
1 796 . 15 1 1 A 75 75 LEU CA C 75 58.230 57.576 0.654 1
1 797 . 15 1 1 A 75 75 LEU CB C 75 42.160 41.252 0.908 1
1 801 . 15 1 1 A 75 75 LEU N N 75 120.230 121.695 -1.465 1
1 802 . 15 1 1 A 76 76 ARG H H 76 7.824 7.990 -0.166 1
1 803 . 15 1 1 A 76 76 ARG HA H 76 3.952 4.184 -0.232 1
1 811 . 15 1 1 A 76 76 ARG CA C 76 59.270 58.504 0.766 1
1 812 . 15 1 1 A 76 76 ARG CB C 76 29.930 30.974 -1.044 1
1 815 . 15 1 1 A 76 76 ARG N N 76 116.540 119.692 -3.152 1
1 817 . 15 1 1 A 77 77 PHE H H 77 8.137 8.489 -0.352 1
1 818 . 15 1 1 A 77 77 PHE HA H 77 4.085 4.212 -0.127 1
1 825 . 15 1 1 A 77 77 PHE CA C 77 61.980 61.371 0.609 1
1 826 . 15 1 1 A 77 77 PHE CB C 77 38.530 39.282 -0.752 1
1 829 . 15 1 1 A 77 77 PHE N N 77 120.650 121.206 -0.556 1
1 830 . 15 1 1 A 78 78 LEU H H 78 9.071 8.689 0.382 1
1 831 . 15 1 1 A 78 78 LEU HA H 78 3.629 3.736 -0.107 1
1 841 . 15 1 1 A 78 78 LEU CA C 78 57.730 57.523 0.207 1
1 842 . 15 1 1 A 78 78 LEU CB C 78 41.420 40.978 0.442 1
1 846 . 15 1 1 A 78 78 LEU N N 78 122.360 119.541 2.819 1
1 847 . 15 1 1 A 79 79 ASP H H 79 8.506 7.908 0.598 1
1 848 . 15 1 1 A 79 79 ASP HA H 79 4.320 4.708 -0.388 1
1 851 . 15 1 1 A 79 79 ASP CA C 79 57.190 55.679 1.511 1
1 852 . 15 1 1 A 79 79 ASP CB C 79 39.420 40.136 -0.716 1
1 853 . 15 1 1 A 79 79 ASP N N 79 120.070 119.015 1.055 1
1 854 . 15 1 1 A 80 80 ASP H H 80 7.154 7.990 -0.836 1
1 855 . 15 1 1 A 80 80 ASP HA H 80 4.501 4.924 -0.423 1
1 858 . 15 1 1 A 80 80 ASP CA C 80 56.700 55.504 1.196 1
1 859 . 15 1 1 A 80 80 ASP CB C 80 40.660 43.275 -2.615 1
1 860 . 15 1 1 A 80 80 ASP N N 80 118.890 120.295 -1.405 1
1 861 . 15 1 1 A 81 81 PHE H H 81 8.791 8.039 0.752 1
1 862 . 15 1 1 A 81 81 PHE HA H 81 3.659 3.857 -0.198 1
1 867 . 15 1 1 A 81 81 PHE CA C 81 61.640 60.906 0.734 1
1 868 . 15 1 1 A 81 81 PHE CB C 81 40.210 38.588 1.622 1
1 870 . 15 1 1 A 81 81 PHE N N 81 125.745 120.435 5.310 1
1 871 . 15 1 1 A 82 82 GLU H H 82 8.209 7.771 0.438 1
1 872 . 15 1 1 A 82 82 GLU HA H 82 3.956 4.036 -0.080 1
1 875 . 15 1 1 A 82 82 GLU CA C 82 55.060 55.868 -0.808 1
1 876 . 15 1 1 A 82 82 GLU CB C 82 28.910 29.012 -0.102 1
1 878 . 15 1 1 A 82 82 GLU N N 82 115.707 116.627 -0.920 1
1 879 . 15 1 1 A 83 83 ASP H H 83 7.615 7.731 -0.116 1
1 880 . 15 1 1 A 83 83 ASP HA H 83 4.236 4.186 0.050 1
1 883 . 15 1 1 A 83 83 ASP CA C 83 54.370 55.234 -0.864 1
1 884 . 15 1 1 A 83 83 ASP CB C 83 39.400 39.693 -0.293 1
1 885 . 15 1 1 A 83 83 ASP N N 83 116.517 118.532 -2.015 1
1 886 . 15 1 1 A 84 84 CYS H H 84 8.361 7.749 0.612 1
1 887 . 15 1 1 A 84 84 CYS HA H 84 5.522 4.817 0.705 1
1 890 . 15 1 1 A 84 84 CYS CA C 84 56.617 57.941 -1.324 1
1 891 . 15 1 1 A 84 84 CYS CB C 84 27.651 27.548 0.103 1
1 892 . 15 1 1 A 84 84 CYS N N 84 119.420 116.989 2.431 1
1 893 . 15 1 1 A 85 85 PRO HA H 85 5.704 4.850 0.854 1
1 900 . 15 1 1 A 85 85 PRO CA C 85 64.355 64.028 0.327 1
1 901 . 15 1 1 A 85 85 PRO CB C 85 33.190 32.021 1.169 1
1 904 . 15 1 1 A 86 86 SER H H 86 8.389 8.368 0.021 1
1 905 . 15 1 1 A 86 86 SER HA H 86 4.175 4.184 -0.009 1
1 907 . 15 1 1 A 86 86 SER CA C 86 62.130 61.769 0.361 1
1 908 . 15 1 1 A 86 86 SER CB C 86 63.080 62.697 0.383 1
1 909 . 15 1 1 A 86 86 SER N N 86 122.195 114.255 7.940 1
1 910 . 15 1 1 A 87 87 MET H H 87 8.576 8.761 -0.185 1
1 911 . 15 1 1 A 87 87 MET HA H 87 4.475 4.310 0.165 1
1 918 . 15 1 1 A 87 87 MET CA C 87 57.520 58.583 -1.063 1
1 919 . 15 1 1 A 87 87 MET CB C 87 33.210 34.065 -0.855 1
1 922 . 15 1 1 A 87 87 MET N N 87 121.299 120.042 1.257 1
1 923 . 15 1 1 A 88 88 TYR H H 88 6.778 8.055 -1.277 1
1 924 . 15 1 1 A 88 88 TYR HA H 88 5.023 5.260 -0.237 1
1 931 . 15 1 1 A 88 88 TYR CA C 88 56.300 57.636 -1.336 1
1 932 . 15 1 1 A 88 88 TYR CB C 88 42.530 40.760 1.770 1
1 935 . 15 1 1 A 88 88 TYR N N 88 113.420 115.744 -2.324 1
1 936 . 15 1 1 A 89 89 GLN H H 89 9.567 9.083 0.484 1
1 937 . 15 1 1 A 89 89 GLN HA H 89 4.857 4.760 0.097 1
1 944 . 15 1 1 A 89 89 GLN CA C 89 55.870 55.484 0.386 1
1 945 . 15 1 1 A 89 89 GLN CB C 89 30.430 30.953 -0.523 1
1 947 . 15 1 1 A 89 89 GLN N N 89 115.440 119.670 -4.230 1
1 949 . 15 1 1 A 90 90 ARG H H 90 8.772 8.233 0.539 1
1 950 . 15 1 1 A 90 90 ARG HA H 90 4.499 4.291 0.208 1
1 958 . 15 1 1 A 90 90 ARG CA C 90 56.620 56.915 -0.295 1
1 959 . 15 1 1 A 90 90 ARG CB C 90 29.020 29.359 -0.339 1
1 962 . 15 1 1 A 90 90 ARG N N 90 123.860 119.799 4.061 1
1 964 . 15 1 1 A 91 91 THR H H 91 9.217 8.889 0.328 1
1 965 . 15 1 1 A 91 91 THR HA H 91 4.518 4.769 -0.251 1
1 970 . 15 1 1 A 91 91 THR CA C 91 60.570 61.056 -0.486 1
1 971 . 15 1 1 A 91 91 THR CB C 91 71.050 73.172 -2.122 1
1 973 . 15 1 1 A 91 91 THR N N 91 125.064 118.963 6.101 1
1 974 . 15 1 1 A 92 92 ALA H H 92 8.655 8.374 0.281 1
1 975 . 15 1 1 A 92 92 ALA HA H 92 5.041 4.833 0.208 1
1 979 . 15 1 1 A 92 92 ALA CA C 92 51.320 51.346 -0.026 1
1 980 . 15 1 1 A 92 92 ALA CB C 92 19.480 20.104 -0.624 1
1 981 . 15 1 1 A 92 92 ALA N N 92 126.963 125.677 1.286 1
1 982 . 15 1 1 A 93 93 LEU H H 93 9.005 8.693 0.312 1
1 983 . 15 1 1 A 93 93 LEU HA H 93 4.720 5.224 -0.504 1
1 993 . 15 1 1 A 93 93 LEU CA C 93 53.750 53.602 0.148 1
1 994 . 15 1 1 A 93 93 LEU CB C 93 45.340 45.237 0.103 1
1 998 . 15 1 1 A 93 93 LEU N N 93 122.440 115.973 6.467 1
1 999 . 15 1 1 A 94 94 GLN H H 94 8.360 8.271 0.089 1
1 1000 . 15 1 1 A 94 94 GLN HA H 94 4.229 5.333 -1.104 1
1 1005 . 15 1 1 A 94 94 GLN CA C 94 56.040 54.145 1.895 1
1 1006 . 15 1 1 A 94 94 GLN CB C 94 28.780 32.071 -3.291 1
1 1008 . 15 1 1 A 94 94 GLN N N 94 119.357 118.954 0.403 1
1 1010 . 15 1 1 A 95 95 VAL H H 95 8.612 8.816 -0.204 1
1 1011 . 15 1 1 A 95 95 VAL HA H 95 4.013 4.671 -0.658 1
1 1019 . 15 1 1 A 95 95 VAL CA C 95 61.440 60.063 1.377 1
1 1020 . 15 1 1 A 95 95 VAL CB C 95 35.110 34.697 0.413 1
1 1023 . 15 1 1 A 95 95 VAL N N 95 126.928 125.799 1.129 1
1 1024 . 15 1 1 A 96 96 GLN H H 96 9.222 8.757 0.465 1
1 1025 . 15 1 1 A 96 96 GLN HA H 96 4.279 4.474 -0.195 1
1 1032 . 15 1 1 A 96 96 GLN CA C 96 55.150 56.707 -1.557 1
1 1033 . 15 1 1 A 96 96 GLN CB C 96 29.100 29.261 -0.161 1
1 1035 . 15 1 1 A 96 96 GLN N N 96 128.360 129.624 -1.264 1
1 1037 . 15 1 1 A 97 97 VAL H H 97 8.233 9.160 -0.927 1
1 1038 . 15 1 1 A 97 97 VAL HA H 97 3.674 4.169 -0.495 1
1 1046 . 15 1 1 A 97 97 VAL CA C 97 64.040 63.001 1.039 1
1 1047 . 15 1 1 A 97 97 VAL CB C 97 31.920 30.028 1.892 1
1 1050 . 15 1 1 A 97 97 VAL N N 97 128.120 127.094 1.026 1
1 1051 . 15 1 1 A 98 98 LEU H H 98 8.880 8.437 0.443 1
1 1052 . 15 1 1 A 98 98 LEU HA H 98 4.472 4.178 0.294 1
1 1059 . 15 1 1 A 98 98 LEU CA C 98 55.641 56.554 -0.913 1
1 1060 . 15 1 1 A 98 98 LEU CB C 98 42.510 42.594 -0.084 1
1 1063 . 15 1 1 A 98 98 LEU N N 98 128.877 128.995 -0.118 1
1 1064 . 15 1 1 A 99 99 GLU H H 99 7.682 7.562 0.120 1
1 1065 . 15 1 1 A 99 99 GLU HA H 99 4.403 4.814 -0.411 1
1 1070 . 15 1 1 A 99 99 GLU CA C 99 56.310 55.896 0.414 1
1 1071 . 15 1 1 A 99 99 GLU CB C 99 32.790 33.206 -0.416 1
1 1073 . 15 1 1 A 99 99 GLU N N 99 118.210 116.351 1.859 1
1 1074 . 15 1 1 A 100 100 TRP H H 100 8.883 8.730 0.153 1
1 1075 . 15 1 1 A 100 100 TRP HA H 100 5.205 5.104 0.101 1
1 1084 . 15 1 1 A 100 100 TRP CA C 100 55.982 56.663 -0.681 1
1 1085 . 15 1 1 A 100 100 TRP CB C 100 32.430 32.898 -0.468 1
1 1091 . 15 1 1 A 100 100 TRP N N 100 126.421 126.334 0.087 1
1 1093 . 15 1 1 A 101 101 GLU H H 101 8.116 8.233 -0.117 1
1 1094 . 15 1 1 A 101 101 GLU HA H 101 4.462 4.594 -0.132 1
1 1098 . 15 1 1 A 101 101 GLU CA C 101 55.050 55.273 -0.223 1
1 1099 . 15 1 1 A 101 101 GLU CB C 101 30.950 30.388 0.562 1
1 1101 . 15 1 1 A 101 101 GLU N N 101 128.535 126.155 2.380 1
1 1102 . 15 1 1 A 102 102 GLY H H 102 7.614 8.239 -0.625 1
1 1103 . 15 1 1 A 102 102 GLY HA2 H 102 3.853 3.974 -0.121 1
1 1104 . 15 1 1 A 102 102 GLY HA3 H 102 3.905 4.058 -0.153 1
1 1105 . 15 1 1 A 102 102 GLY CA C 102 44.440 43.744 0.696 1
1 1106 . 15 1 1 A 102 102 GLY N N 102 108.953 112.585 -3.632 1
1 1107 . 15 1 1 A 103 103 ASP H H 103 8.261 8.440 -0.179 1
1 1108 . 15 1 1 A 103 103 ASP HA H 103 4.641 4.644 -0.003 1
1 1111 . 15 1 1 A 103 103 ASP CA C 103 54.530 55.045 -0.515 1
1 1112 . 15 1 1 A 103 103 ASP CB C 103 41.690 41.496 0.194 1
1 1113 . 15 1 1 A 103 103 ASP N N 103 118.730 120.533 -1.803 1
1 1114 . 15 1 1 A 104 104 GLY H H 104 8.526 9.027 -0.501 1
1 1115 . 15 1 1 A 104 104 GLY HA2 H 104 3.719 4.077 -0.358 1
1 1116 . 15 1 1 A 104 104 GLY HA3 H 104 3.892 4.287 -0.395 1
1 1117 . 15 1 1 A 104 104 GLY CA C 104 45.960 46.577 -0.617 1
1 1118 . 15 1 1 A 104 104 GLY N N 104 109.230 114.314 -5.084 1
1 1119 . 15 1 1 A 105 105 ASP H H 105 7.806 8.112 -0.306 1
1 1120 . 15 1 1 A 105 105 ASP HA H 105 3.381 4.109 -0.728 1
1 1123 . 15 1 1 A 105 105 ASP CA C 105 51.020 50.460 0.560 1
1 1124 . 15 1 1 A 105 105 ASP CB C 105 41.406 40.689 0.717 1
1 1125 . 15 1 1 A 105 105 ASP N N 105 119.739 120.949 -1.210 1
1 1126 . 15 1 1 A 106 106 PRO HA H 106 4.065 4.282 -0.217 1
1 1133 . 15 1 1 A 106 106 PRO CA C 106 62.970 63.674 -0.704 1
1 1134 . 15 1 1 A 106 106 PRO CB C 106 31.660 31.888 -0.228 1
1 1137 . 15 1 1 A 107 107 GLY H H 107 7.863 7.295 0.568 1
1 1138 . 15 1 1 A 107 107 GLY HA2 H 107 3.401 3.983 -0.582 1
1 1139 . 15 1 1 A 107 107 GLY HA3 H 107 4.103 3.985 0.118 1
1 1140 . 15 1 1 A 107 107 GLY CA C 107 44.170 43.856 0.314 1
1 1141 . 15 1 1 A 107 107 GLY N N 107 109.610 107.780 1.830 1
1 1142 . 15 1 1 A 108 108 ASP H H 108 8.171 8.553 -0.382 1
1 1143 . 15 1 1 A 108 108 ASP HA H 108 4.283 4.430 -0.147 1
1 1145 . 15 1 1 A 108 108 ASP CA C 108 56.430 55.583 0.847 1
1 1146 . 15 1 1 A 108 108 ASP CB C 108 41.490 41.485 0.005 1
1 1147 . 15 1 1 A 108 108 ASP N N 108 119.264 122.770 -3.506 1
1 1148 . 15 1 1 A 109 109 SER H H 109 7.560 7.956 -0.396 1
1 1149 . 15 1 1 A 109 109 SER HA H 109 5.188 5.329 -0.141 1
1 1152 . 15 1 1 A 109 109 SER CA C 109 56.740 56.859 -0.119 1
1 1153 . 15 1 1 A 109 109 SER CB C 109 65.780 67.012 -1.232 1
1 1154 . 15 1 1 A 109 109 SER N N 109 110.810 111.417 -0.607 1
1 1155 . 15 1 1 A 110 110 VAL H H 110 8.932 8.965 -0.033 1
1 1156 . 15 1 1 A 110 110 VAL HA H 110 4.262 4.767 -0.505 1
1 1164 . 15 1 1 A 110 110 VAL CA C 110 59.470 59.493 -0.023 1
1 1165 . 15 1 1 A 110 110 VAL CB C 110 35.400 35.751 -0.351 1
1 1168 . 15 1 1 A 110 110 VAL N N 110 118.530 120.038 -1.508 1
1 1169 . 15 1 1 A 111 111 GLN H H 111 8.468 8.622 -0.154 1
1 1170 . 15 1 1 A 111 111 GLN HA H 111 4.422 4.673 -0.251 1
1 1177 . 15 1 1 A 111 111 GLN CA C 111 55.960 54.230 1.730 1
1 1178 . 15 1 1 A 111 111 GLN CB C 111 29.470 27.995 1.475 1
1 1180 . 15 1 1 A 111 111 GLN N N 111 127.378 126.141 1.237 1
1 1182 . 15 1 1 A 112 112 CYS H H 112 8.785 8.258 0.527 1
1 1183 . 15 1 1 A 112 112 CYS HA H 112 4.782 4.464 0.318 1
1 1186 . 15 1 1 A 112 112 CYS CA C 112 57.100 58.006 -0.906 1
1 1187 . 15 1 1 A 112 112 CYS CB C 112 33.700 28.491 5.209 1
1 1188 . 15 1 1 A 112 112 CYS N N 112 122.300 122.972 -0.672 1
1 1189 . 15 1 1 A 113 113 PHE H H 113 8.838 8.307 0.531 1
1 1190 . 15 1 1 A 113 113 PHE HA H 113 5.154 5.523 -0.369 1
1 1197 . 15 1 1 A 113 113 PHE CA C 113 58.650 56.395 2.255 1
1 1198 . 15 1 1 A 113 113 PHE CB C 113 40.210 42.162 -1.952 1
1 1201 . 15 1 1 A 113 113 PHE N N 113 118.974 118.135 0.839 1
1 1202 . 15 1 1 A 114 114 VAL H H 114 9.079 8.774 0.305 1
1 1203 . 15 1 1 A 114 114 VAL HA H 114 4.472 4.792 -0.320 1
1 1211 . 15 1 1 A 114 114 VAL CA C 114 60.650 60.604 0.046 1
1 1212 . 15 1 1 A 114 114 VAL CB C 114 35.970 35.831 0.139 1
1 1215 . 15 1 1 A 114 114 VAL N N 114 121.660 121.727 -0.067 1
1 1216 . 15 1 1 A 115 115 TYR H H 115 9.672 8.812 0.860 1
1 1217 . 15 1 1 A 115 115 TYR HA H 115 4.988 4.851 0.137 1
1 1224 . 15 1 1 A 115 115 TYR CA C 115 59.240 57.299 1.941 1
1 1225 . 15 1 1 A 115 115 TYR CB C 115 36.925 37.764 -0.839 1
1 1228 . 15 1 1 A 115 115 TYR N N 115 127.830 124.643 3.187 1
1 1229 . 15 1 1 A 116 116 THR H H 116 9.061 8.656 0.405 1
1 1230 . 15 1 1 A 116 116 THR HA H 116 5.435 5.164 0.271 1
1 1235 . 15 1 1 A 116 116 THR CA C 116 60.130 61.652 -1.522 1
1 1236 . 15 1 1 A 116 116 THR CB C 116 71.910 71.349 0.561 1
1 1238 . 15 1 1 A 116 116 THR N N 116 119.130 116.157 2.973 1
1 1239 . 15 1 1 A 117 117 THR H H 117 8.707 8.667 0.040 1
1 1240 . 15 1 1 A 117 117 THR HA H 117 5.561 5.147 0.414 1
1 1245 . 15 1 1 A 117 117 THR CA C 117 60.160 59.925 0.235 1
1 1246 . 15 1 1 A 117 117 THR CB C 117 70.170 71.547 -1.377 1
1 1248 . 15 1 1 A 117 117 THR N N 117 111.190 115.168 -3.978 1
1 1249 . 15 1 1 A 118 118 ALA H H 118 9.257 8.282 0.975 1
1 1250 . 15 1 1 A 118 118 ALA HA H 118 5.033 4.873 0.160 1
1 1254 . 15 1 1 A 118 118 ALA CA C 118 51.550 51.328 0.222 1
1 1255 . 15 1 1 A 118 118 ALA CB C 118 20.050 20.127 -0.077 1
1 1256 . 15 1 1 A 118 118 ALA N N 118 132.010 128.614 3.396 1
1 1257 . 15 1 1 A 119 119 THR H H 119 8.628 7.357 1.271 1
1 1258 . 15 1 1 A 119 119 THR HA H 119 4.143 4.340 -0.197 1
1 1263 . 15 1 1 A 119 119 THR CA C 119 60.090 60.521 -0.431 1
1 1264 . 15 1 1 A 119 119 THR CB C 119 68.056 69.687 -1.631 1
1 1266 . 15 1 1 A 119 119 THR N N 119 114.350 114.234 0.116 1
1 1267 . 15 1 1 A 120 120 TYR H H 120 6.281 6.889 -0.608 1
1 1268 . 15 1 1 A 120 120 TYR HA H 120 3.594 4.290 -0.696 1
1 1273 . 15 1 1 A 120 120 TYR CA C 120 53.530 57.193 -3.663 1
1 1274 . 15 1 1 A 120 120 TYR CB C 120 40.072 39.961 0.111 1
1 1276 . 15 1 1 A 120 120 TYR N N 120 117.205 120.287 -3.082 1
1 1277 . 15 1 1 A 121 121 ALA HA H 121 5.030 4.279 0.751 1
1 1278 . 15 1 1 A 121 121 ALA CA C 121 51.536 50.596 0.940 1
1 1279 . 15 1 1 A 122 122 PRO HA H 122 4.059 4.294 -0.235 1
1 1285 . 15 1 1 A 122 122 PRO CA C 122 65.435 65.722 -0.287 1
1 1286 . 15 1 1 A 122 122 PRO CB C 122 31.680 31.647 0.033 1
1 1289 . 15 1 1 A 123 123 GLU H H 123 9.336 8.846 0.490 1
1 1290 . 15 1 1 A 123 123 GLU HA H 123 4.169 3.132 1.037 1
1 1294 . 15 1 1 A 123 123 GLU CA C 123 59.100 58.606 0.494 1
1 1295 . 15 1 1 A 123 123 GLU CB C 123 27.940 28.672 -0.732 1
1 1297 . 15 1 1 A 123 123 GLU N N 123 115.528 115.957 -0.429 1
1 1298 . 15 1 1 A 124 124 TRP H H 124 8.560 7.423 1.137 1
1 1299 . 15 1 1 A 124 124 TRP HA H 124 4.671 4.484 0.187 1
1 1308 . 15 1 1 A 124 124 TRP CA C 124 57.370 60.258 -2.888 1
1 1309 . 15 1 1 A 124 124 TRP CB C 124 28.310 28.551 -0.241 1
1 1315 . 15 1 1 A 124 124 TRP N N 124 123.431 120.147 3.284 1
1 1317 . 15 1 1 A 125 125 LEU H H 125 7.378 7.775 -0.397 1
1 1318 . 15 1 1 A 125 125 LEU HA H 125 4.065 4.212 -0.147 1
1 1328 . 15 1 1 A 125 125 LEU CA C 125 56.060 57.472 -1.412 1
1 1329 . 15 1 1 A 125 125 LEU CB C 125 41.220 41.662 -0.442 1
1 1333 . 15 1 1 A 125 125 LEU N N 125 113.660 120.868 -7.208 1
1 1334 . 15 1 1 A 126 126 PHE H H 126 7.415 7.549 -0.134 1
1 1335 . 15 1 1 A 126 126 PHE HA H 126 4.640 4.493 0.147 1
1 1342 . 15 1 1 A 126 126 PHE CA C 126 56.940 59.068 -2.128 1
1 1343 . 15 1 1 A 126 126 PHE CB C 126 38.670 40.118 -1.448 1
1 1346 . 15 1 1 A 126 126 PHE N N 126 116.360 115.473 0.887 1
1 1347 . 15 1 1 A 127 127 LEU H H 127 7.168 7.424 -0.256 1
1 1348 . 15 1 1 A 127 127 LEU HA H 127 4.529 4.371 0.158 1
1 1358 . 15 1 1 A 127 127 LEU CA C 127 53.580 53.697 -0.117 1
1 1359 . 15 1 1 A 127 127 LEU CB C 127 40.832 40.825 0.007 1
1 1363 . 15 1 1 A 127 127 LEU N N 127 122.990 120.717 2.273 1
1 1364 . 15 1 1 A 128 128 PRO HA H 128 3.986 4.388 -0.402 1
1 1371 . 15 1 1 A 128 128 PRO CA C 128 63.140 62.249 0.891 1
1 1372 . 15 1 1 A 128 128 PRO CB C 128 31.993 32.558 -0.565 1
1 1375 . 15 1 1 A 129 129 TYR H H 129 8.070 8.263 -0.193 1
1 1376 . 15 1 1 A 129 129 TYR HA H 129 5.529 5.182 0.347 1
1 1383 . 15 1 1 A 129 129 TYR CA C 129 52.486 57.264 -4.778 1
1 1384 . 15 1 1 A 129 129 TYR CB C 129 36.760 41.662 -4.902 1
1 1387 . 15 1 1 A 129 129 TYR N N 129 120.100 120.116 -0.016 1
1 1388 . 15 1 1 A 130 130 HIS H H 130 9.193 8.402 0.791 1
1 1389 . 15 1 1 A 130 130 HIS HA H 130 4.733 5.134 -0.401 1
1 1393 . 15 1 1 A 130 130 HIS CA C 130 55.920 54.520 1.400 1
1 1394 . 15 1 1 A 130 130 HIS CB C 130 32.908 33.480 -0.572 1
1 1396 . 15 1 1 A 130 130 HIS N N 130 121.985 118.495 3.490 1
1 1397 . 15 1 1 A 131 131 GLU H H 131 9.093 9.116 -0.023 1
1 1398 . 15 1 1 A 131 131 GLU HA H 131 4.277 4.363 -0.086 1
1 1402 . 15 1 1 A 131 131 GLU CA C 131 58.110 57.549 0.561 1
1 1403 . 15 1 1 A 131 131 GLU CB C 131 30.700 31.015 -0.315 1
1 1405 . 15 1 1 A 131 131 GLU N N 131 122.150 121.280 0.870 1
1 1406 . 15 1 1 A 132 132 SER H H 132 7.621 7.770 -0.149 1
1 1407 . 15 1 1 A 132 132 SER HA H 132 4.686 4.493 0.193 1
1 1410 . 15 1 1 A 132 132 SER CA C 132 56.340 57.319 -0.979 1
1 1411 . 15 1 1 A 132 132 SER CB C 132 65.050 65.616 -0.566 1
1 1412 . 15 1 1 A 132 132 SER N N 132 108.030 112.557 -4.527 1
1 1413 . 15 1 1 A 133 133 TYR H H 133 8.667 8.765 -0.098 1
1 1414 . 15 1 1 A 133 133 TYR HA H 133 4.564 5.506 -0.942 1
1 1419 . 15 1 1 A 133 133 TYR CA C 133 57.910 55.426 2.484 1
1 1420 . 15 1 1 A 133 133 TYR CB C 133 40.720 42.608 -1.888 1
1 1422 . 15 1 1 A 133 133 TYR N N 133 121.977 118.035 3.942 1
1 1423 . 15 1 1 A 134 134 ASP H H 134 7.303 8.703 -1.400 1
1 1424 . 15 1 1 A 134 134 ASP HA H 134 3.944 4.996 -1.052 1
1 1427 . 15 1 1 A 134 134 ASP CA C 134 52.540 54.199 -1.659 1
1 1428 . 15 1 1 A 134 134 ASP CB C 134 42.900 43.045 -0.145 1
1 1429 . 15 1 1 A 134 134 ASP N N 134 127.820 121.165 6.655 1
1 1430 . 15 1 1 A 135 135 SER H H 135 9.392 8.778 0.614 1
1 1431 . 15 1 1 A 135 135 SER HA H 135 3.945 4.621 -0.676 1
1 1434 . 15 1 1 A 135 135 SER CA C 135 61.770 59.298 2.472 1
1 1435 . 15 1 1 A 135 135 SER CB C 135 63.561 63.506 0.055 1
1 1436 . 15 1 1 A 135 135 SER N N 135 127.670 121.268 6.402 1
1 1437 . 15 1 1 A 136 136 GLU H H 136 7.546 8.212 -0.666 1
1 1438 . 15 1 1 A 136 136 GLU HA H 136 4.233 4.597 -0.364 1
1 1443 . 15 1 1 A 136 136 GLU CA C 136 54.796 55.792 -0.996 1
1 1444 . 15 1 1 A 136 136 GLU CB C 136 28.420 29.735 -1.315 1
1 1446 . 15 1 1 A 136 136 GLU N N 136 113.107 119.197 -6.090 1
1 1447 . 15 1 1 A 137 137 GLY H H 137 7.241 8.488 -1.247 1
1 1448 . 15 1 1 A 137 137 GLY HA2 H 137 3.994 4.155 -0.161 1
1 1449 . 15 1 1 A 137 137 GLY HA3 H 137 3.503 4.174 -0.671 1
1 1450 . 15 1 1 A 137 137 GLY CA C 137 44.880 43.677 1.203 1
1 1451 . 15 1 1 A 137 137 GLY N N 137 104.690 108.812 -4.122 1
1 1452 . 15 1 1 A 138 138 PRO HA H 138 4.211 4.357 -0.146 1
1 1459 . 15 1 1 A 138 138 PRO CA C 138 64.830 63.733 1.097 1
1 1460 . 15 1 1 A 138 138 PRO CB C 138 31.180 31.874 -0.694 1
1 1463 . 15 1 1 A 139 139 HIS H H 139 6.414 7.606 -1.192 1
1 1464 . 15 1 1 A 139 139 HIS HA H 139 4.299 4.429 -0.130 1
1 1467 . 15 1 1 A 139 139 HIS CA C 139 55.080 57.039 -1.959 1
1 1468 . 15 1 1 A 139 139 HIS CB C 139 30.260 29.955 0.305 1
1 1470 . 15 1 1 A 139 139 HIS N N 139 116.498 116.468 0.030 1
1 1471 . 15 1 1 A 140 140 GLY H H 140 7.082 8.089 -1.007 1
1 1472 . 15 1 1 A 140 140 GLY HA2 H 140 3.919 3.919 0.000 1
1 1473 . 15 1 1 A 140 140 GLY HA3 H 140 3.721 3.927 -0.206 1
1 1474 . 15 1 1 A 140 140 GLY CA C 140 46.590 45.488 1.102 1
1 1475 . 15 1 1 A 140 140 GLY N N 140 108.485 107.011 1.474 1
1 1476 . 15 1 1 A 141 141 LEU HA H 141 4.451 4.353 0.098 1
1 1483 . 15 1 1 A 141 141 LEU CA C 141 53.024 54.296 -1.272 1
1 1484 . 15 1 1 A 141 141 LEU CB C 141 39.500 40.988 -1.488 1
1 1487 . 15 1 1 A 142 142 ARG H H 142 7.472 8.152 -0.680 1
1 1488 . 15 1 1 A 142 142 ARG HA H 142 4.724 4.776 -0.052 1
1 1493 . 15 1 1 A 142 142 ARG CA C 142 55.940 54.912 1.028 1
1 1494 . 15 1 1 A 142 142 ARG CB C 142 31.070 31.669 -0.599 1
1 1497 . 15 1 1 A 142 142 ARG N N 142 121.987 123.508 -1.521 1
1 1499 . 15 1 1 A 143 143 TYR H H 143 8.487 9.003 -0.516 1
1 1500 . 15 1 1 A 143 143 TYR HA H 143 4.474 4.810 -0.336 1
1 1507 . 15 1 1 A 143 143 TYR CA C 143 59.015 59.545 -0.530 1
1 1508 . 15 1 1 A 143 143 TYR CB C 143 38.720 39.279 -0.559 1
1 1511 . 15 1 1 A 143 143 TYR N N 143 127.896 123.293 4.603 1
1 1512 . 15 1 1 A 144 144 ASN H H 144 7.805 7.346 0.459 1
1 1513 . 15 1 1 A 144 144 ASN HA H 144 4.892 5.219 -0.327 1
1 1518 . 15 1 1 A 144 144 ASN CA C 144 50.120 50.162 -0.042 1
1 1519 . 15 1 1 A 144 144 ASN CB C 144 39.360 39.270 0.090 1
1 1520 . 15 1 1 A 144 144 ASN N N 144 125.629 124.900 0.729 1
1 1522 . 15 1 1 A 145 145 PRO HA H 145 3.975 4.373 -0.398 1
1 1528 . 15 1 1 A 145 145 PRO CA C 145 63.140 64.686 -1.546 1
1 1529 . 15 1 1 A 145 145 PRO CB C 145 32.386 32.174 0.212 1
1 1532 . 15 1 1 A 146 146 ARG H H 146 8.055 8.119 -0.064 1
1 1533 . 15 1 1 A 146 146 ARG HA H 146 3.918 4.626 -0.708 1
1 1541 . 15 1 1 A 146 146 ARG CA C 146 56.740 55.372 1.368 1
1 1542 . 15 1 1 A 146 146 ARG CB C 146 30.430 32.011 -1.581 1
1 1545 . 15 1 1 A 146 146 ARG N N 146 120.069 118.621 1.448 1
1 1547 . 15 1 1 A 147 147 GLU H H 147 8.440 8.209 0.231 1
1 1548 . 15 1 1 A 147 147 GLU HA H 147 4.167 3.979 0.188 1
1 1552 . 15 1 1 A 147 147 GLU CA C 147 56.710 57.797 -1.087 1
1 1553 . 15 1 1 A 147 147 GLU CB C 147 30.150 27.611 2.539 1
1 1555 . 15 1 1 A 147 147 GLU N N 147 120.760 117.431 3.329 1
1 1556 . 15 1 1 A 148 148 ASN H H 148 8.363 8.276 0.087 1
1 1557 . 15 1 1 A 148 148 ASN HA H 148 4.652 4.920 -0.268 1
1 1562 . 15 1 1 A 148 148 ASN CA C 148 53.240 52.804 0.436 1
1 1563 . 15 1 1 A 148 148 ASN CB C 148 38.840 39.889 -1.049 1
1 1564 . 15 1 1 A 148 148 ASN N N 148 120.210 115.860 4.350 1
1 1 . 16 1 1 A 2 2 ALA HA H 2 4.182 4.840 -0.658 1
1 5 . 16 1 1 A 2 2 ALA CA C 2 51.510 51.508 0.002 1
1 6 . 16 1 1 A 2 2 ALA CB C 2 20.090 19.174 0.916 1
1 7 . 16 1 1 A 3 3 HIS H H 3 9.173 8.698 0.475 1
1 8 . 16 1 1 A 3 3 HIS HA H 3 5.839 4.879 0.960 1
1 12 . 16 1 1 A 3 3 HIS CA C 3 56.960 57.268 -0.308 1
1 13 . 16 1 1 A 3 3 HIS CB C 3 32.820 31.003 1.817 1
1 15 . 16 1 1 A 3 3 HIS N N 3 118.801 122.053 -3.252 1
1 16 . 16 1 1 A 4 4 ILE H H 4 9.494 9.432 0.062 1
1 17 . 16 1 1 A 4 4 ILE HA H 4 5.508 5.270 0.238 1
1 27 . 16 1 1 A 4 4 ILE CA C 4 58.300 59.513 -1.213 1
1 28 . 16 1 1 A 4 4 ILE CB C 4 41.930 42.380 -0.450 1
1 32 . 16 1 1 A 4 4 ILE N N 4 118.202 117.761 0.441 1
1 33 . 16 1 1 A 5 5 PHE H H 5 8.815 9.140 -0.325 1
1 34 . 16 1 1 A 5 5 PHE HA H 5 5.789 5.426 0.363 1
1 42 . 16 1 1 A 5 5 PHE CA C 5 55.153 56.325 -1.172 1
1 43 . 16 1 1 A 5 5 PHE CB C 5 40.740 42.792 -2.052 1
1 47 . 16 1 1 A 5 5 PHE N N 5 126.107 124.316 1.791 1
1 48 . 16 1 1 A 6 6 VAL H H 6 9.078 7.966 1.112 1
1 49 . 16 1 1 A 6 6 VAL HA H 6 4.357 4.043 0.314 1
1 57 . 16 1 1 A 6 6 VAL CA C 6 59.157 61.621 -2.464 1
1 58 . 16 1 1 A 6 6 VAL CB C 6 33.473 31.671 1.802 1
1 61 . 16 1 1 A 6 6 VAL N N 6 118.658 121.767 -3.109 1
1 62 . 16 1 1 A 7 7 TYR H H 7 6.878 8.217 -1.339 1
1 63 . 16 1 1 A 7 7 TYR HA H 7 4.170 4.486 -0.316 1
1 66 . 16 1 1 A 7 7 TYR CB C 7 36.608 39.282 -2.674 1
1 67 . 16 1 1 A 7 7 TYR N N 7 116.860 123.737 -6.877 1
1 68 . 16 1 1 A 8 8 GLY HA2 H 8 4.195 3.976 0.219 1
1 69 . 16 1 1 A 8 8 GLY HA3 H 8 2.933 4.035 -1.102 1
1 70 . 16 1 1 A 8 8 GLY CA C 8 46.169 45.189 0.980 1
1 71 . 16 1 1 A 9 9 THR H H 9 7.618 7.258 0.360 1
1 72 . 16 1 1 A 9 9 THR HA H 9 3.831 4.413 -0.582 1
1 77 . 16 1 1 A 9 9 THR CA C 9 64.570 62.013 2.557 1
1 78 . 16 1 1 A 9 9 THR CB C 9 68.494 70.180 -1.686 1
1 80 . 16 1 1 A 9 9 THR N N 9 115.934 111.054 4.880 1
1 81 . 16 1 1 A 10 10 LEU H H 10 7.561 7.432 0.129 1
1 82 . 16 1 1 A 10 10 LEU HA H 10 3.673 4.276 -0.603 1
1 92 . 16 1 1 A 10 10 LEU CA C 10 55.950 53.778 2.172 1
1 93 . 16 1 1 A 10 10 LEU CB C 10 41.610 42.027 -0.417 1
1 97 . 16 1 1 A 10 10 LEU N N 10 120.151 120.299 -0.148 1
1 98 . 16 1 1 A 11 11 LYS H H 11 6.738 8.017 -1.279 1
1 99 . 16 1 1 A 11 11 LYS HA H 11 4.007 4.595 -0.588 1
1 103 . 16 1 1 A 11 11 LYS CA C 11 57.390 57.610 -0.220 1
1 104 . 16 1 1 A 11 11 LYS CB C 11 34.322 33.828 0.494 1
1 106 . 16 1 1 A 11 11 LYS N N 11 116.295 119.979 -3.684 1
1 107 . 16 1 1 A 12 12 ARG H H 12 9.432 8.768 0.664 1
1 108 . 16 1 1 A 12 12 ARG HA H 12 2.029 4.023 -1.994 1
1 115 . 16 1 1 A 12 12 ARG CA C 12 58.420 59.022 -0.602 1
1 116 . 16 1 1 A 12 12 ARG CB C 12 29.190 30.018 -0.828 1
1 119 . 16 1 1 A 12 12 ARG N N 12 120.863 119.754 1.109 1
1 120 . 16 1 1 A 13 13 GLY H H 13 8.048 7.520 0.528 1
1 121 . 16 1 1 A 13 13 GLY HA2 H 13 3.990 4.087 -0.097 1
1 122 . 16 1 1 A 13 13 GLY HA3 H 13 3.538 4.110 -0.572 1
1 123 . 16 1 1 A 13 13 GLY CA C 13 45.490 45.565 -0.075 1
1 124 . 16 1 1 A 13 13 GLY N N 13 111.120 105.248 5.872 1
1 125 . 16 1 1 A 14 14 GLN H H 14 7.904 7.591 0.313 1
1 126 . 16 1 1 A 14 14 GLN HA H 14 4.682 4.457 0.225 1
1 133 . 16 1 1 A 14 14 GLN CA C 14 53.440 54.400 -0.960 1
1 134 . 16 1 1 A 14 14 GLN CB C 14 27.115 28.260 -1.145 1
1 136 . 16 1 1 A 14 14 GLN N N 14 117.811 120.327 -2.516 1
1 138 . 16 1 1 A 15 15 PRO HA H 15 4.342 4.559 -0.217 1
1 145 . 16 1 1 A 15 15 PRO CA C 15 66.870 64.459 2.411 1
1 146 . 16 1 1 A 15 15 PRO CB C 15 34.060 31.892 2.168 1
1 149 . 16 1 1 A 16 16 ASN H H 16 8.287 8.629 -0.342 1
1 150 . 16 1 1 A 16 16 ASN HA H 16 5.356 4.719 0.637 1
1 155 . 16 1 1 A 16 16 ASN CA C 16 52.230 54.750 -2.520 1
1 156 . 16 1 1 A 16 16 ASN CB C 16 39.030 38.533 0.497 1
1 157 . 16 1 1 A 16 16 ASN N N 16 110.638 116.293 -5.655 1
1 159 . 16 1 1 A 17 17 HIS H H 17 7.819 7.767 0.052 1
1 160 . 16 1 1 A 17 17 HIS HA H 17 3.815 4.090 -0.275 1
1 164 . 16 1 1 A 17 17 HIS CA C 17 60.140 60.038 0.102 1
1 165 . 16 1 1 A 17 17 HIS CB C 17 27.680 29.985 -2.305 1
1 167 . 16 1 1 A 17 17 HIS N N 17 121.058 120.668 0.390 1
1 168 . 16 1 1 A 18 18 LYS H H 18 8.326 8.178 0.148 1
1 169 . 16 1 1 A 18 18 LYS HA H 18 3.695 4.045 -0.350 1
1 175 . 16 1 1 A 18 18 LYS CA C 18 58.890 58.779 0.111 1
1 176 . 16 1 1 A 18 18 LYS CB C 18 31.070 31.747 -0.677 1
1 180 . 16 1 1 A 18 18 LYS N N 18 112.812 117.265 -4.453 1
1 181 . 16 1 1 A 19 19 VAL H H 19 7.373 7.986 -0.613 1
1 182 . 16 1 1 A 19 19 VAL HA H 19 3.816 3.790 0.026 1
1 190 . 16 1 1 A 19 19 VAL CA C 19 64.960 65.502 -0.542 1
1 191 . 16 1 1 A 19 19 VAL CB C 19 30.960 31.345 -0.385 1
1 194 . 16 1 1 A 19 19 VAL N N 19 117.691 116.113 1.578 1
1 195 . 16 1 1 A 20 20 MET H H 20 7.329 7.904 -0.575 1
1 196 . 16 1 1 A 20 20 MET HA H 20 3.951 4.291 -0.340 1
1 204 . 16 1 1 A 20 20 MET CA C 20 55.560 56.701 -1.141 1
1 205 . 16 1 1 A 20 20 MET CB C 20 31.460 31.799 -0.339 1
1 208 . 16 1 1 A 20 20 MET N N 20 114.870 120.010 -5.140 1
1 209 . 16 1 1 A 21 21 LEU H H 21 6.718 7.605 -0.887 1
1 210 . 16 1 1 A 21 21 LEU HA H 21 4.091 4.473 -0.382 1
1 220 . 16 1 1 A 21 21 LEU CA C 21 54.140 53.887 0.253 1
1 221 . 16 1 1 A 21 21 LEU CB C 21 42.310 41.257 1.053 1
1 225 . 16 1 1 A 21 21 LEU N N 21 116.021 116.936 -0.915 1
1 226 . 16 1 1 A 22 22 ASP H H 22 6.399 7.417 -1.018 1
1 227 . 16 1 1 A 22 22 ASP HA H 22 4.288 4.815 -0.527 1
1 229 . 16 1 1 A 22 22 ASP CA C 22 52.776 52.647 0.129 1
1 230 . 16 1 1 A 22 22 ASP CB C 22 40.180 41.542 -1.362 1
1 231 . 16 1 1 A 22 22 ASP N N 22 117.972 121.061 -3.089 1
1 232 . 16 1 1 A 23 23 HIS H H 23 8.601 8.773 -0.172 1
1 233 . 16 1 1 A 23 23 HIS HA H 23 4.848 4.182 0.666 1
1 237 . 16 1 1 A 23 23 HIS CA C 23 55.800 58.947 -3.147 1
1 238 . 16 1 1 A 23 23 HIS CB C 23 27.860 30.090 -2.230 1
1 240 . 16 1 1 A 23 23 HIS N N 23 123.395 125.770 -2.375 1
1 241 . 16 1 1 A 24 24 SER H H 24 8.526 7.797 0.729 1
1 242 . 16 1 1 A 24 24 SER HA H 24 4.105 4.071 0.034 1
1 244 . 16 1 1 A 24 24 SER CA C 24 60.870 61.268 -0.398 1
1 245 . 16 1 1 A 24 24 SER CB C 24 62.510 63.036 -0.526 1
1 246 . 16 1 1 A 24 24 SER N N 24 117.035 115.362 1.673 1
1 247 . 16 1 1 A 25 25 HIS H H 25 7.450 7.721 -0.271 1
1 248 . 16 1 1 A 25 25 HIS HA H 25 4.494 4.227 0.267 1
1 252 . 16 1 1 A 25 25 HIS CA C 25 53.900 55.899 -1.999 1
1 253 . 16 1 1 A 25 25 HIS CB C 25 28.320 29.545 -1.225 1
1 255 . 16 1 1 A 25 25 HIS N N 25 117.560 116.941 0.619 1
1 256 . 16 1 1 A 26 26 GLY H H 26 6.926 6.757 0.169 1
1 257 . 16 1 1 A 26 26 GLY HA2 H 26 3.587 3.805 -0.218 1
1 258 . 16 1 1 A 26 26 GLY HA3 H 26 4.362 3.944 0.418 1
1 259 . 16 1 1 A 26 26 GLY CA C 26 43.730 43.849 -0.119 1
1 260 . 16 1 1 A 26 26 GLY N N 26 103.120 105.705 -2.585 1
1 261 . 16 1 1 A 27 27 LEU H H 27 8.579 8.456 0.123 1
1 262 . 16 1 1 A 27 27 LEU HA H 27 4.327 4.809 -0.482 1
1 271 . 16 1 1 A 27 27 LEU CA C 27 54.520 54.379 0.141 1
1 272 . 16 1 1 A 27 27 LEU CB C 27 44.250 43.426 0.824 1
1 276 . 16 1 1 A 27 27 LEU N N 27 121.940 121.756 0.184 1
1 277 . 16 1 1 A 28 28 ALA H H 28 7.776 8.725 -0.949 1
1 278 . 16 1 1 A 28 28 ALA HA H 28 5.231 5.545 -0.314 1
1 282 . 16 1 1 A 28 28 ALA CA C 28 50.990 50.473 0.517 1
1 283 . 16 1 1 A 28 28 ALA CB C 28 22.580 24.234 -1.654 1
1 284 . 16 1 1 A 28 28 ALA N N 28 123.020 128.165 -5.145 1
1 285 . 16 1 1 A 29 29 ALA H H 29 9.231 8.850 0.381 1
1 286 . 16 1 1 A 29 29 ALA HA H 29 4.857 5.139 -0.282 1
1 290 . 16 1 1 A 29 29 ALA CA C 29 50.661 51.154 -0.493 1
1 291 . 16 1 1 A 29 29 ALA CB C 29 21.140 22.878 -1.738 1
1 292 . 16 1 1 A 29 29 ALA N N 29 125.760 121.024 4.736 1
1 293 . 16 1 1 A 30 30 PHE H H 30 9.083 9.226 -0.143 1
1 294 . 16 1 1 A 30 30 PHE HA H 30 3.397 4.473 -1.076 1
1 301 . 16 1 1 A 30 30 PHE CA C 30 59.895 56.341 3.554 1
1 302 . 16 1 1 A 30 30 PHE CB C 30 38.810 38.378 0.432 1
1 305 . 16 1 1 A 30 30 PHE N N 30 126.590 124.790 1.800 1
1 306 . 16 1 1 A 31 31 ARG H H 31 8.102 8.286 -0.184 1
1 307 . 16 1 1 A 31 31 ARG HA H 31 3.941 3.877 0.064 1
1 314 . 16 1 1 A 31 31 ARG CA C 31 53.120 55.188 -2.068 1
1 315 . 16 1 1 A 31 31 ARG CB C 31 31.665 28.860 2.805 1
1 318 . 16 1 1 A 31 31 ARG N N 31 125.007 127.768 -2.761 1
1 320 . 16 1 1 A 32 32 GLY H H 32 5.465 6.937 -1.472 1
1 321 . 16 1 1 A 32 32 GLY HA2 H 32 3.264 3.563 -0.299 1
1 322 . 16 1 1 A 32 32 GLY HA3 H 32 4.670 3.816 0.854 1
1 323 . 16 1 1 A 32 32 GLY CA C 32 45.150 43.756 1.394 1
1 324 . 16 1 1 A 32 32 GLY N N 32 101.400 109.648 -8.248 1
1 325 . 16 1 1 A 33 33 ARG H H 33 8.345 8.432 -0.087 1
1 326 . 16 1 1 A 33 33 ARG HA H 33 5.158 5.188 -0.030 1
1 332 . 16 1 1 A 33 33 ARG CA C 33 54.924 54.529 0.395 1
1 333 . 16 1 1 A 33 33 ARG CB C 33 34.180 33.667 0.513 1
1 336 . 16 1 1 A 33 33 ARG N N 33 116.822 118.976 -2.154 1
1 338 . 16 1 1 A 34 34 GLY H H 34 8.549 8.236 0.313 1
1 339 . 16 1 1 A 34 34 GLY HA2 H 34 5.154 4.363 0.791 1
1 340 . 16 1 1 A 34 34 GLY HA3 H 34 3.752 4.415 -0.663 1
1 341 . 16 1 1 A 34 34 GLY CA C 34 45.620 45.909 -0.289 1
1 342 . 16 1 1 A 34 34 GLY N N 34 107.400 108.360 -0.960 1
1 343 . 16 1 1 A 35 35 CYS H H 35 8.803 8.133 0.670 1
1 344 . 16 1 1 A 35 35 CYS HA H 35 5.893 5.452 0.441 1
1 347 . 16 1 1 A 35 35 CYS CA C 35 55.420 57.318 -1.898 1
1 348 . 16 1 1 A 35 35 CYS CB C 35 30.960 31.528 -0.568 1
1 349 . 16 1 1 A 35 35 CYS N N 35 117.781 117.385 0.396 1
1 350 . 16 1 1 A 36 36 THR H H 36 9.033 8.791 0.242 1
1 351 . 16 1 1 A 36 36 THR HA H 36 3.835 4.258 -0.423 1
1 356 . 16 1 1 A 36 36 THR CA C 36 64.160 61.473 2.687 1
1 357 . 16 1 1 A 36 36 THR CB C 36 68.200 68.031 0.169 1
1 359 . 16 1 1 A 36 36 THR N N 36 117.973 115.454 2.519 1
1 360 . 16 1 1 A 37 37 VAL H H 37 7.545 7.864 -0.319 1
1 361 . 16 1 1 A 37 37 VAL HA H 37 3.709 3.729 -0.020 1
1 369 . 16 1 1 A 37 37 VAL CA C 37 65.740 65.470 0.270 1
1 370 . 16 1 1 A 37 37 VAL CB C 37 32.410 31.493 0.917 1
1 373 . 16 1 1 A 37 37 VAL N N 37 121.706 122.532 -0.826 1
1 374 . 16 1 1 A 38 38 GLU H H 38 8.540 7.639 0.901 1
1 375 . 16 1 1 A 38 38 GLU HA H 38 4.264 4.195 0.069 1
1 380 . 16 1 1 A 38 38 GLU CA C 38 54.260 56.776 -2.516 1
1 381 . 16 1 1 A 38 38 GLU CB C 38 30.770 30.057 0.713 1
1 383 . 16 1 1 A 38 38 GLU N N 38 119.219 123.523 -4.304 1
1 384 . 16 1 1 A 39 39 SER H H 39 8.692 8.193 0.499 1
1 385 . 16 1 1 A 39 39 SER HA H 39 4.035 4.446 -0.411 1
1 388 . 16 1 1 A 39 39 SER CA C 39 57.370 59.377 -2.007 1
1 389 . 16 1 1 A 39 39 SER CB C 39 63.760 63.887 -0.127 1
1 390 . 16 1 1 A 39 39 SER N N 39 118.941 120.411 -1.470 1
1 391 . 16 1 1 A 40 40 PHE H H 40 8.302 8.798 -0.496 1
1 392 . 16 1 1 A 40 40 PHE HA H 40 4.986 4.798 0.188 1
1 400 . 16 1 1 A 40 40 PHE CA C 40 57.320 55.582 1.738 1
1 401 . 16 1 1 A 40 40 PHE CB C 40 44.292 42.566 1.726 1
1 405 . 16 1 1 A 40 40 PHE N N 40 119.300 121.558 -2.258 1
1 406 . 16 1 1 A 41 41 PRO HA H 41 3.828 4.463 -0.635 1
1 413 . 16 1 1 A 41 41 PRO CA C 41 62.270 62.307 -0.037 1
1 414 . 16 1 1 A 41 41 PRO CB C 41 30.790 30.452 0.338 1
1 417 . 16 1 1 A 42 42 LEU H H 42 7.964 8.585 -0.621 1
1 418 . 16 1 1 A 42 42 LEU HA H 42 5.352 5.023 0.329 1
1 427 . 16 1 1 A 42 42 LEU CA C 42 53.830 54.261 -0.431 1
1 428 . 16 1 1 A 42 42 LEU CB C 42 42.380 43.426 -1.046 1
1 431 . 16 1 1 A 42 42 LEU N N 42 129.948 123.834 6.114 1
1 432 . 16 1 1 A 43 43 VAL H H 43 8.607 8.788 -0.181 1
1 433 . 16 1 1 A 43 43 VAL HA H 43 5.296 5.076 0.220 1
1 441 . 16 1 1 A 43 43 VAL CA C 43 58.040 59.001 -0.961 1
1 442 . 16 1 1 A 43 43 VAL CB C 43 35.220 35.477 -0.257 1
1 445 . 16 1 1 A 43 43 VAL N N 43 117.190 120.397 -3.207 1
1 446 . 16 1 1 A 44 44 ILE H H 44 9.056 8.482 0.574 1
1 447 . 16 1 1 A 44 44 ILE HA H 44 4.426 4.621 -0.195 1
1 457 . 16 1 1 A 44 44 ILE CA C 44 61.156 60.403 0.753 1
1 458 . 16 1 1 A 44 44 ILE CB C 44 38.544 38.543 0.001 1
1 462 . 16 1 1 A 44 44 ILE N N 44 122.963 124.374 -1.411 1
1 463 . 16 1 1 A 45 45 ALA H H 45 8.701 8.057 0.644 1
1 464 . 16 1 1 A 45 45 ALA HA H 45 4.626 4.639 -0.013 1
1 468 . 16 1 1 A 45 45 ALA CA C 45 51.430 50.868 0.562 1
1 469 . 16 1 1 A 45 45 ALA CB C 45 21.670 21.145 0.525 1
1 470 . 16 1 1 A 45 45 ALA N N 45 126.347 128.149 -1.802 1
1 471 . 16 1 1 A 46 46 GLY H H 46 8.486 8.659 -0.173 1
1 472 . 16 1 1 A 46 46 GLY HA2 H 46 4.587 4.253 0.334 1
1 473 . 16 1 1 A 46 46 GLY HA3 H 46 4.084 4.294 -0.210 1
1 474 . 16 1 1 A 46 46 GLY CA C 46 44.500 45.060 -0.560 1
1 475 . 16 1 1 A 46 46 GLY N N 46 108.262 106.630 1.632 1
1 476 . 16 1 1 A 47 47 GLU H H 47 8.938 8.941 -0.003 1
1 477 . 16 1 1 A 47 47 GLU HA H 47 4.003 4.137 -0.134 1
1 480 . 16 1 1 A 47 47 GLU CA C 47 58.820 58.412 0.408 1
1 481 . 16 1 1 A 47 47 GLU CB C 47 29.500 29.732 -0.232 1
1 482 . 16 1 1 A 47 47 GLU N N 47 118.010 120.969 -2.959 1
1 483 . 16 1 1 A 48 48 HIS H H 48 8.742 7.775 0.967 1
1 484 . 16 1 1 A 48 48 HIS HA H 48 4.704 4.638 0.066 1
1 488 . 16 1 1 A 48 48 HIS CA C 48 55.130 55.815 -0.685 1
1 489 . 16 1 1 A 48 48 HIS CB C 48 29.110 30.162 -1.052 1
1 491 . 16 1 1 A 48 48 HIS N N 48 115.306 114.625 0.681 1
1 492 . 16 1 1 A 49 49 ASN H H 49 7.810 7.858 -0.048 1
1 493 . 16 1 1 A 49 49 ASN HA H 49 3.878 4.208 -0.330 1
1 498 . 16 1 1 A 49 49 ASN CA C 49 53.876 54.291 -0.415 1
1 499 . 16 1 1 A 49 49 ASN CB C 49 36.030 36.899 -0.869 1
1 500 . 16 1 1 A 49 49 ASN N N 49 114.919 114.188 0.731 1
1 502 . 16 1 1 A 50 50 ILE H H 50 7.046 7.976 -0.930 1
1 503 . 16 1 1 A 50 50 ILE HA H 50 4.022 4.483 -0.461 1
1 513 . 16 1 1 A 50 50 ILE CA C 50 59.430 58.120 1.310 1
1 514 . 16 1 1 A 50 50 ILE CB C 50 41.326 38.589 2.737 1
1 518 . 16 1 1 A 50 50 ILE N N 50 120.995 119.580 1.415 1
1 519 . 16 1 1 A 51 51 PRO HA H 51 5.194 4.885 0.309 1
1 521 . 16 1 1 A 51 51 PRO CA C 51 60.560 62.396 -1.836 1
1 522 . 16 1 1 A 51 51 PRO CB C 51 31.841 32.396 -0.555 1
1 523 . 16 1 1 A 52 52 TRP H H 52 9.564 8.479 1.085 1
1 524 . 16 1 1 A 52 52 TRP HA H 52 4.805 5.459 -0.654 1
1 532 . 16 1 1 A 52 52 TRP CA C 52 56.550 55.705 0.845 1
1 533 . 16 1 1 A 52 52 TRP CB C 52 32.300 33.998 -1.698 1
1 539 . 16 1 1 A 52 52 TRP N N 52 123.070 121.879 1.191 1
1 541 . 16 1 1 A 53 53 LEU H H 53 7.227 9.066 -1.839 1
1 542 . 16 1 1 A 53 53 LEU HA H 53 4.863 5.247 -0.384 1
1 552 . 16 1 1 A 53 53 LEU CA C 53 53.790 53.737 0.053 1
1 553 . 16 1 1 A 53 53 LEU CB C 53 42.250 43.946 -1.696 1
1 557 . 16 1 1 A 53 53 LEU N N 53 124.700 123.568 1.132 1
1 558 . 16 1 1 A 54 54 LEU H H 54 9.021 8.191 0.830 1
1 559 . 16 1 1 A 54 54 LEU HA H 54 4.618 4.437 0.181 1
1 569 . 16 1 1 A 54 54 LEU CA C 54 54.030 55.475 -1.445 1
1 570 . 16 1 1 A 54 54 LEU CB C 54 40.360 41.503 -1.143 1
1 574 . 16 1 1 A 54 54 LEU N N 54 126.893 128.271 -1.378 1
1 575 . 16 1 1 A 55 55 TYR H H 55 8.884 9.161 -0.277 1
1 576 . 16 1 1 A 55 55 TYR HA H 55 4.562 4.889 -0.327 1
1 583 . 16 1 1 A 55 55 TYR CA C 55 58.420 57.257 1.163 1
1 584 . 16 1 1 A 55 55 TYR CB C 55 36.180 38.302 -2.122 1
1 587 . 16 1 1 A 55 55 TYR N N 55 123.430 125.980 -2.550 1
1 588 . 16 1 1 A 56 56 LEU H H 56 8.192 8.648 -0.456 1
1 589 . 16 1 1 A 56 56 LEU HA H 56 4.530 4.709 -0.179 1
1 598 . 16 1 1 A 56 56 LEU CA C 56 51.720 51.820 -0.100 1
1 599 . 16 1 1 A 56 56 LEU CB C 56 43.260 43.073 0.187 1
1 602 . 16 1 1 A 56 56 LEU N N 56 130.832 129.054 1.778 1
1 603 . 16 1 1 A 57 57 PRO HA H 57 3.779 3.358 0.421 1
1 610 . 16 1 1 A 57 57 PRO CA C 57 62.240 63.399 -1.159 1
1 611 . 16 1 1 A 57 57 PRO CB C 57 31.130 30.991 0.139 1
1 614 . 16 1 1 A 58 58 GLY H H 58 8.908 8.768 0.140 1
1 615 . 16 1 1 A 58 58 GLY HA2 H 58 4.027 3.634 0.393 1
1 616 . 16 1 1 A 58 58 GLY HA3 H 58 3.433 3.656 -0.223 1
1 617 . 16 1 1 A 58 58 GLY CA C 58 44.860 44.921 -0.061 1
1 618 . 16 1 1 A 58 58 GLY N N 58 112.351 112.459 -0.108 1
1 619 . 16 1 1 A 59 59 LYS H H 59 7.214 7.431 -0.217 1
1 620 . 16 1 1 A 59 59 LYS HA H 59 4.386 4.435 -0.049 1
1 629 . 16 1 1 A 59 59 LYS CA C 59 53.760 54.888 -1.128 1
1 630 . 16 1 1 A 59 59 LYS CB C 59 34.590 35.324 -0.734 1
1 634 . 16 1 1 A 59 59 LYS N N 59 121.458 119.994 1.464 1
1 635 . 16 1 1 A 60 60 GLY H H 60 8.312 8.055 0.257 1
1 636 . 16 1 1 A 60 60 GLY HA2 H 60 3.379 2.942 0.437 1
1 637 . 16 1 1 A 60 60 GLY HA3 H 60 3.229 3.333 -0.104 1
1 638 . 16 1 1 A 60 60 GLY CA C 60 45.350 45.210 0.140 1
1 639 . 16 1 1 A 60 60 GLY N N 60 103.990 108.987 -4.997 1
1 640 . 16 1 1 A 61 61 HIS H H 61 7.880 7.935 -0.055 1
1 641 . 16 1 1 A 61 61 HIS HA H 61 4.868 5.315 -0.447 1
1 645 . 16 1 1 A 61 61 HIS CA C 61 53.920 54.782 -0.862 1
1 646 . 16 1 1 A 61 61 HIS CB C 61 33.020 34.334 -1.314 1
1 648 . 16 1 1 A 61 61 HIS N N 61 121.221 119.483 1.738 1
1 649 . 16 1 1 A 62 62 CYS H H 62 8.760 8.604 0.156 1
1 650 . 16 1 1 A 62 62 CYS HA H 62 4.248 4.901 -0.653 1
1 653 . 16 1 1 A 62 62 CYS CA C 62 61.730 57.695 4.035 1
1 654 . 16 1 1 A 62 62 CYS CB C 62 26.560 27.712 -1.152 1
1 655 . 16 1 1 A 62 62 CYS N N 62 121.842 120.752 1.090 1
1 656 . 16 1 1 A 63 63 VAL H H 63 8.109 8.534 -0.425 1
1 657 . 16 1 1 A 63 63 VAL HA H 63 4.869 4.647 0.222 1
1 665 . 16 1 1 A 63 63 VAL CA C 63 62.210 63.176 -0.966 1
1 666 . 16 1 1 A 63 63 VAL CB C 63 34.780 31.784 2.996 1
1 669 . 16 1 1 A 63 63 VAL N N 63 127.029 126.644 0.385 1
1 670 . 16 1 1 A 64 64 THR H H 64 8.453 8.286 0.167 1
1 671 . 16 1 1 A 64 64 THR HA H 64 5.349 4.757 0.592 1
1 676 . 16 1 1 A 64 64 THR CA C 64 61.100 61.739 -0.639 1
1 677 . 16 1 1 A 64 64 THR CB C 64 70.790 70.357 0.433 1
1 679 . 16 1 1 A 64 64 THR N N 64 116.830 120.703 -3.873 1
1 680 . 16 1 1 A 65 65 GLY H H 65 8.663 8.309 0.354 1
1 681 . 16 1 1 A 65 65 GLY HA2 H 65 4.085 3.768 0.317 1
1 682 . 16 1 1 A 65 65 GLY HA3 H 65 3.480 4.145 -0.665 1
1 683 . 16 1 1 A 65 65 GLY CA C 65 46.570 46.067 0.503 1
1 684 . 16 1 1 A 65 65 GLY N N 65 107.680 108.620 -0.940 1
1 685 . 16 1 1 A 66 66 GLU H H 66 8.574 8.142 0.432 1
1 686 . 16 1 1 A 66 66 GLU HA H 66 5.150 5.316 -0.166 1
1 689 . 16 1 1 A 66 66 GLU CA C 66 54.450 54.406 0.044 1
1 690 . 16 1 1 A 66 66 GLU CB C 66 37.328 34.195 3.133 1
1 691 . 16 1 1 A 66 66 GLU N N 66 120.921 119.029 1.892 1
1 692 . 16 1 1 A 67 67 ILE H H 67 8.623 8.551 0.072 1
1 693 . 16 1 1 A 67 67 ILE HA H 67 5.149 4.971 0.178 1
1 703 . 16 1 1 A 67 67 ILE CA C 67 60.180 60.474 -0.294 1
1 704 . 16 1 1 A 67 67 ILE CB C 67 40.210 39.032 1.178 1
1 708 . 16 1 1 A 67 67 ILE N N 67 121.340 122.032 -0.692 1
1 709 . 16 1 1 A 68 68 TYR H H 68 9.196 9.332 -0.136 1
1 710 . 16 1 1 A 68 68 TYR HA H 68 5.001 5.304 -0.303 1
1 717 . 16 1 1 A 68 68 TYR CA C 68 56.270 56.477 -0.207 1
1 718 . 16 1 1 A 68 68 TYR CB C 68 41.480 41.630 -0.150 1
1 721 . 16 1 1 A 68 68 TYR N N 68 123.650 125.962 -2.312 1
1 722 . 16 1 1 A 69 69 GLU H H 69 9.302 9.065 0.237 1
1 723 . 16 1 1 A 69 69 GLU HA H 69 5.066 4.633 0.433 1
1 728 . 16 1 1 A 69 69 GLU CA C 69 55.180 57.002 -1.822 1
1 729 . 16 1 1 A 69 69 GLU CB C 69 31.420 30.862 0.558 1
1 731 . 16 1 1 A 69 69 GLU N N 69 124.090 125.080 -0.990 1
1 732 . 16 1 1 A 70 70 VAL H H 70 8.908 8.869 0.039 1
1 733 . 16 1 1 A 70 70 VAL HA H 70 5.556 5.100 0.456 1
1 741 . 16 1 1 A 70 70 VAL CA C 70 57.780 58.984 -1.204 1
1 742 . 16 1 1 A 70 70 VAL CB C 70 35.400 36.340 -0.940 1
1 745 . 16 1 1 A 70 70 VAL N N 70 119.540 119.430 0.110 1
1 746 . 16 1 1 A 71 71 ASP H H 71 7.939 8.429 -0.490 1
1 747 . 16 1 1 A 71 71 ASP HA H 71 4.909 5.057 -0.148 1
1 750 . 16 1 1 A 71 71 ASP CA C 71 51.240 52.794 -1.554 1
1 751 . 16 1 1 A 71 71 ASP CB C 71 42.210 43.163 -0.953 1
1 752 . 16 1 1 A 71 71 ASP N N 71 120.720 120.919 -0.199 1
1 753 . 16 1 1 A 72 72 GLU H H 72 8.364 8.761 -0.397 1
1 754 . 16 1 1 A 72 72 GLU HA H 72 3.869 3.998 -0.129 1
1 757 . 16 1 1 A 72 72 GLU CA C 72 59.775 59.443 0.332 1
1 758 . 16 1 1 A 72 72 GLU CB C 72 29.140 29.337 -0.197 1
1 760 . 16 1 1 A 72 72 GLU N N 72 117.910 121.633 -3.723 1
1 761 . 16 1 1 A 73 73 GLN H H 73 7.960 7.998 -0.038 1
1 762 . 16 1 1 A 73 73 GLN HA H 73 3.899 4.120 -0.221 1
1 767 . 16 1 1 A 73 73 GLN CA C 73 59.570 58.629 0.941 1
1 768 . 16 1 1 A 73 73 GLN CB C 73 27.810 28.537 -0.727 1
1 770 . 16 1 1 A 73 73 GLN N N 73 119.617 120.131 -0.514 1
1 772 . 16 1 1 A 74 74 MET H H 74 8.489 7.952 0.537 1
1 773 . 16 1 1 A 74 74 MET HA H 74 4.766 4.511 0.255 1
1 780 . 16 1 1 A 74 74 MET CA C 74 56.790 58.461 -1.671 1
1 781 . 16 1 1 A 74 74 MET CB C 74 31.900 32.370 -0.470 1
1 784 . 16 1 1 A 74 74 MET N N 74 121.800 119.244 2.556 1
1 785 . 16 1 1 A 75 75 LEU H H 75 8.162 8.348 -0.186 1
1 786 . 16 1 1 A 75 75 LEU HA H 75 3.897 4.114 -0.217 1
1 796 . 16 1 1 A 75 75 LEU CA C 75 58.230 57.942 0.288 1
1 797 . 16 1 1 A 75 75 LEU CB C 75 42.160 41.206 0.954 1
1 801 . 16 1 1 A 75 75 LEU N N 75 120.230 121.386 -1.156 1
1 802 . 16 1 1 A 76 76 ARG H H 76 7.824 8.294 -0.470 1
1 803 . 16 1 1 A 76 76 ARG HA H 76 3.952 3.980 -0.028 1
1 811 . 16 1 1 A 76 76 ARG CA C 76 59.270 59.781 -0.511 1
1 812 . 16 1 1 A 76 76 ARG CB C 76 29.930 29.936 -0.006 1
1 815 . 16 1 1 A 76 76 ARG N N 76 116.540 120.009 -3.469 1
1 817 . 16 1 1 A 77 77 PHE H H 77 8.137 8.605 -0.468 1
1 818 . 16 1 1 A 77 77 PHE HA H 77 4.085 4.218 -0.133 1
1 825 . 16 1 1 A 77 77 PHE CA C 77 61.980 61.292 0.688 1
1 826 . 16 1 1 A 77 77 PHE CB C 77 38.530 39.057 -0.527 1
1 829 . 16 1 1 A 77 77 PHE N N 77 120.650 121.276 -0.626 1
1 830 . 16 1 1 A 78 78 LEU H H 78 9.071 8.970 0.101 1
1 831 . 16 1 1 A 78 78 LEU HA H 78 3.629 3.821 -0.192 1
1 841 . 16 1 1 A 78 78 LEU CA C 78 57.730 57.811 -0.081 1
1 842 . 16 1 1 A 78 78 LEU CB C 78 41.420 41.311 0.109 1
1 846 . 16 1 1 A 78 78 LEU N N 78 122.360 119.510 2.850 1
1 847 . 16 1 1 A 79 79 ASP H H 79 8.506 8.214 0.292 1
1 848 . 16 1 1 A 79 79 ASP HA H 79 4.320 4.267 0.053 1
1 851 . 16 1 1 A 79 79 ASP CA C 79 57.190 57.806 -0.616 1
1 852 . 16 1 1 A 79 79 ASP CB C 79 39.420 41.697 -2.277 1
1 853 . 16 1 1 A 79 79 ASP N N 79 120.070 119.769 0.301 1
1 854 . 16 1 1 A 80 80 ASP H H 80 7.154 7.719 -0.565 1
1 855 . 16 1 1 A 80 80 ASP HA H 80 4.501 4.309 0.192 1
1 858 . 16 1 1 A 80 80 ASP CA C 80 56.700 57.089 -0.389 1
1 859 . 16 1 1 A 80 80 ASP CB C 80 40.660 40.866 -0.206 1
1 860 . 16 1 1 A 80 80 ASP N N 80 118.890 119.288 -0.398 1
1 861 . 16 1 1 A 81 81 PHE H H 81 8.791 8.185 0.606 1
1 862 . 16 1 1 A 81 81 PHE HA H 81 3.659 3.706 -0.047 1
1 867 . 16 1 1 A 81 81 PHE CA C 81 61.640 60.690 0.950 1
1 868 . 16 1 1 A 81 81 PHE CB C 81 40.210 38.840 1.370 1
1 870 . 16 1 1 A 81 81 PHE N N 81 125.745 120.063 5.682 1
1 871 . 16 1 1 A 82 82 GLU H H 82 8.209 7.273 0.936 1
1 872 . 16 1 1 A 82 82 GLU HA H 82 3.956 3.729 0.227 1
1 875 . 16 1 1 A 82 82 GLU CA C 82 55.060 56.004 -0.944 1
1 876 . 16 1 1 A 82 82 GLU CB C 82 28.910 29.132 -0.222 1
1 878 . 16 1 1 A 82 82 GLU N N 82 115.707 116.994 -1.287 1
1 879 . 16 1 1 A 83 83 ASP H H 83 7.615 7.763 -0.148 1
1 880 . 16 1 1 A 83 83 ASP HA H 83 4.236 4.222 0.014 1
1 883 . 16 1 1 A 83 83 ASP CA C 83 54.370 55.488 -1.118 1
1 884 . 16 1 1 A 83 83 ASP CB C 83 39.400 40.092 -0.692 1
1 885 . 16 1 1 A 83 83 ASP N N 83 116.517 118.633 -2.116 1
1 886 . 16 1 1 A 84 84 CYS H H 84 8.361 7.482 0.879 1
1 887 . 16 1 1 A 84 84 CYS HA H 84 5.522 4.715 0.807 1
1 890 . 16 1 1 A 84 84 CYS CA C 84 56.617 57.828 -1.211 1
1 891 . 16 1 1 A 84 84 CYS CB C 84 27.651 27.498 0.153 1
1 892 . 16 1 1 A 84 84 CYS N N 84 119.420 118.061 1.359 1
1 893 . 16 1 1 A 85 85 PRO HA H 85 5.704 4.768 0.936 1
1 900 . 16 1 1 A 85 85 PRO CA C 85 64.355 64.177 0.178 1
1 901 . 16 1 1 A 85 85 PRO CB C 85 33.190 32.023 1.167 1
1 904 . 16 1 1 A 86 86 SER H H 86 8.389 7.923 0.466 1
1 905 . 16 1 1 A 86 86 SER HA H 86 4.175 4.231 -0.056 1
1 907 . 16 1 1 A 86 86 SER CA C 86 62.130 61.504 0.626 1
1 908 . 16 1 1 A 86 86 SER CB C 86 63.080 63.083 -0.003 1
1 909 . 16 1 1 A 86 86 SER N N 86 122.195 114.345 7.850 1
1 910 . 16 1 1 A 87 87 MET H H 87 8.576 8.712 -0.136 1
1 911 . 16 1 1 A 87 87 MET HA H 87 4.475 4.555 -0.080 1
1 918 . 16 1 1 A 87 87 MET CA C 87 57.520 58.334 -0.814 1
1 919 . 16 1 1 A 87 87 MET CB C 87 33.210 33.409 -0.199 1
1 922 . 16 1 1 A 87 87 MET N N 87 121.299 119.145 2.154 1
1 923 . 16 1 1 A 88 88 TYR H H 88 6.778 8.245 -1.467 1
1 924 . 16 1 1 A 88 88 TYR HA H 88 5.023 4.981 0.042 1
1 931 . 16 1 1 A 88 88 TYR CA C 88 56.300 58.038 -1.738 1
1 932 . 16 1 1 A 88 88 TYR CB C 88 42.530 39.777 2.753 1
1 935 . 16 1 1 A 88 88 TYR N N 88 113.420 116.278 -2.858 1
1 936 . 16 1 1 A 89 89 GLN H H 89 9.567 9.239 0.328 1
1 937 . 16 1 1 A 89 89 GLN HA H 89 4.857 5.201 -0.344 1
1 944 . 16 1 1 A 89 89 GLN CA C 89 55.870 53.753 2.117 1
1 945 . 16 1 1 A 89 89 GLN CB C 89 30.430 33.258 -2.828 1
1 947 . 16 1 1 A 89 89 GLN N N 89 115.440 118.994 -3.554 1
1 949 . 16 1 1 A 90 90 ARG H H 90 8.772 8.624 0.148 1
1 950 . 16 1 1 A 90 90 ARG HA H 90 4.499 5.034 -0.535 1
1 958 . 16 1 1 A 90 90 ARG CA C 90 56.620 54.519 2.101 1
1 959 . 16 1 1 A 90 90 ARG CB C 90 29.020 33.146 -4.126 1
1 962 . 16 1 1 A 90 90 ARG N N 90 123.860 122.706 1.154 1
1 964 . 16 1 1 A 91 91 THR H H 91 9.217 9.103 0.114 1
1 965 . 16 1 1 A 91 91 THR HA H 91 4.518 4.845 -0.327 1
1 970 . 16 1 1 A 91 91 THR CA C 91 60.570 61.170 -0.600 1
1 971 . 16 1 1 A 91 91 THR CB C 91 71.050 71.876 -0.826 1
1 973 . 16 1 1 A 91 91 THR N N 91 125.064 121.079 3.985 1
1 974 . 16 1 1 A 92 92 ALA H H 92 8.655 8.456 0.199 1
1 975 . 16 1 1 A 92 92 ALA HA H 92 5.041 4.891 0.150 1
1 979 . 16 1 1 A 92 92 ALA CA C 92 51.320 51.395 -0.075 1
1 980 . 16 1 1 A 92 92 ALA CB C 92 19.480 19.984 -0.504 1
1 981 . 16 1 1 A 92 92 ALA N N 92 126.963 127.974 -1.011 1
1 982 . 16 1 1 A 93 93 LEU H H 93 9.005 8.841 0.164 1
1 983 . 16 1 1 A 93 93 LEU HA H 93 4.720 5.324 -0.604 1
1 993 . 16 1 1 A 93 93 LEU CA C 93 53.750 53.419 0.331 1
1 994 . 16 1 1 A 93 93 LEU CB C 93 45.340 45.673 -0.333 1
1 998 . 16 1 1 A 93 93 LEU N N 93 122.440 118.592 3.848 1
1 999 . 16 1 1 A 94 94 GLN H H 94 8.360 8.631 -0.271 1
1 1000 . 16 1 1 A 94 94 GLN HA H 94 4.229 5.246 -1.017 1
1 1005 . 16 1 1 A 94 94 GLN CA C 94 56.040 54.331 1.709 1
1 1006 . 16 1 1 A 94 94 GLN CB C 94 28.780 32.134 -3.354 1
1 1008 . 16 1 1 A 94 94 GLN N N 94 119.357 118.823 0.534 1
1 1010 . 16 1 1 A 95 95 VAL H H 95 8.612 8.650 -0.038 1
1 1011 . 16 1 1 A 95 95 VAL HA H 95 4.013 4.563 -0.550 1
1 1019 . 16 1 1 A 95 95 VAL CA C 95 61.440 59.813 1.627 1
1 1020 . 16 1 1 A 95 95 VAL CB C 95 35.110 35.383 -0.273 1
1 1023 . 16 1 1 A 95 95 VAL N N 95 126.928 125.251 1.677 1
1 1024 . 16 1 1 A 96 96 GLN H H 96 9.222 8.716 0.506 1
1 1025 . 16 1 1 A 96 96 GLN HA H 96 4.279 4.762 -0.483 1
1 1032 . 16 1 1 A 96 96 GLN CA C 96 55.150 55.026 0.124 1
1 1033 . 16 1 1 A 96 96 GLN CB C 96 29.100 30.027 -0.927 1
1 1035 . 16 1 1 A 96 96 GLN N N 96 128.360 124.808 3.552 1
1 1037 . 16 1 1 A 97 97 VAL H H 97 8.233 8.543 -0.310 1
1 1038 . 16 1 1 A 97 97 VAL HA H 97 3.674 4.405 -0.731 1
1 1046 . 16 1 1 A 97 97 VAL CA C 97 64.040 61.508 2.532 1
1 1047 . 16 1 1 A 97 97 VAL CB C 97 31.920 31.185 0.735 1
1 1050 . 16 1 1 A 97 97 VAL N N 97 128.120 126.087 2.033 1
1 1051 . 16 1 1 A 98 98 LEU H H 98 8.880 8.679 0.201 1
1 1052 . 16 1 1 A 98 98 LEU HA H 98 4.472 4.130 0.342 1
1 1059 . 16 1 1 A 98 98 LEU CA C 98 55.641 56.729 -1.088 1
1 1060 . 16 1 1 A 98 98 LEU CB C 98 42.510 42.255 0.255 1
1 1063 . 16 1 1 A 98 98 LEU N N 98 128.877 131.225 -2.348 1
1 1064 . 16 1 1 A 99 99 GLU H H 99 7.682 7.651 0.031 1
1 1065 . 16 1 1 A 99 99 GLU HA H 99 4.403 4.786 -0.383 1
1 1070 . 16 1 1 A 99 99 GLU CA C 99 56.310 55.018 1.292 1
1 1071 . 16 1 1 A 99 99 GLU CB C 99 32.790 33.617 -0.827 1
1 1073 . 16 1 1 A 99 99 GLU N N 99 118.210 116.472 1.738 1
1 1074 . 16 1 1 A 100 100 TRP H H 100 8.883 8.872 0.011 1
1 1075 . 16 1 1 A 100 100 TRP HA H 100 5.205 5.197 0.008 1
1 1084 . 16 1 1 A 100 100 TRP CA C 100 55.982 55.519 0.463 1
1 1085 . 16 1 1 A 100 100 TRP CB C 100 32.430 33.304 -0.874 1
1 1091 . 16 1 1 A 100 100 TRP N N 100 126.421 125.406 1.015 1
1 1093 . 16 1 1 A 101 101 GLU H H 101 8.116 7.883 0.233 1
1 1094 . 16 1 1 A 101 101 GLU HA H 101 4.462 4.630 -0.168 1
1 1098 . 16 1 1 A 101 101 GLU CA C 101 55.050 55.175 -0.125 1
1 1099 . 16 1 1 A 101 101 GLU CB C 101 30.950 30.591 0.359 1
1 1101 . 16 1 1 A 101 101 GLU N N 101 128.535 126.070 2.465 1
1 1102 . 16 1 1 A 102 102 GLY H H 102 7.614 8.132 -0.518 1
1 1103 . 16 1 1 A 102 102 GLY HA2 H 102 3.853 3.964 -0.111 1
1 1104 . 16 1 1 A 102 102 GLY HA3 H 102 3.905 4.050 -0.145 1
1 1105 . 16 1 1 A 102 102 GLY CA C 102 44.440 43.893 0.547 1
1 1106 . 16 1 1 A 102 102 GLY N N 102 108.953 110.705 -1.752 1
1 1107 . 16 1 1 A 103 103 ASP H H 103 8.261 8.469 -0.208 1
1 1108 . 16 1 1 A 103 103 ASP HA H 103 4.641 4.497 0.144 1
1 1111 . 16 1 1 A 103 103 ASP CA C 103 54.530 55.495 -0.965 1
1 1112 . 16 1 1 A 103 103 ASP CB C 103 41.690 41.352 0.338 1
1 1113 . 16 1 1 A 103 103 ASP N N 103 118.730 120.140 -1.410 1
1 1114 . 16 1 1 A 104 104 GLY H H 104 8.526 8.997 -0.471 1
1 1115 . 16 1 1 A 104 104 GLY HA2 H 104 3.719 3.919 -0.200 1
1 1116 . 16 1 1 A 104 104 GLY HA3 H 104 3.892 4.015 -0.123 1
1 1117 . 16 1 1 A 104 104 GLY CA C 104 45.960 46.887 -0.927 1
1 1118 . 16 1 1 A 104 104 GLY N N 104 109.230 113.660 -4.430 1
1 1119 . 16 1 1 A 105 105 ASP H H 105 7.806 7.945 -0.139 1
1 1120 . 16 1 1 A 105 105 ASP HA H 105 3.381 3.942 -0.561 1
1 1123 . 16 1 1 A 105 105 ASP CA C 105 51.020 50.250 0.770 1
1 1124 . 16 1 1 A 105 105 ASP CB C 105 41.406 40.770 0.636 1
1 1125 . 16 1 1 A 105 105 ASP N N 105 119.739 120.364 -0.625 1
1 1126 . 16 1 1 A 106 106 PRO HA H 106 4.065 4.215 -0.150 1
1 1133 . 16 1 1 A 106 106 PRO CA C 106 62.970 64.085 -1.115 1
1 1134 . 16 1 1 A 106 106 PRO CB C 106 31.660 31.778 -0.118 1
1 1137 . 16 1 1 A 107 107 GLY H H 107 7.863 7.070 0.793 1
1 1138 . 16 1 1 A 107 107 GLY HA2 H 107 3.401 4.006 -0.605 1
1 1139 . 16 1 1 A 107 107 GLY HA3 H 107 4.103 4.007 0.096 1
1 1140 . 16 1 1 A 107 107 GLY CA C 107 44.170 45.236 -1.066 1
1 1141 . 16 1 1 A 107 107 GLY N N 107 109.610 106.765 2.845 1
1 1142 . 16 1 1 A 108 108 ASP H H 108 8.171 8.486 -0.315 1
1 1143 . 16 1 1 A 108 108 ASP HA H 108 4.283 4.681 -0.398 1
1 1145 . 16 1 1 A 108 108 ASP CA C 108 56.430 53.695 2.735 1
1 1146 . 16 1 1 A 108 108 ASP CB C 108 41.490 42.601 -1.111 1
1 1147 . 16 1 1 A 108 108 ASP N N 108 119.264 125.748 -6.484 1
1 1148 . 16 1 1 A 109 109 SER H H 109 7.560 7.841 -0.281 1
1 1149 . 16 1 1 A 109 109 SER HA H 109 5.188 5.319 -0.131 1
1 1152 . 16 1 1 A 109 109 SER CA C 109 56.740 56.580 0.160 1
1 1153 . 16 1 1 A 109 109 SER CB C 109 65.780 66.475 -0.695 1
1 1154 . 16 1 1 A 109 109 SER N N 109 110.810 113.109 -2.299 1
1 1155 . 16 1 1 A 110 110 VAL H H 110 8.932 8.996 -0.064 1
1 1156 . 16 1 1 A 110 110 VAL HA H 110 4.262 4.835 -0.573 1
1 1164 . 16 1 1 A 110 110 VAL CA C 110 59.470 58.753 0.717 1
1 1165 . 16 1 1 A 110 110 VAL CB C 110 35.400 35.858 -0.458 1
1 1168 . 16 1 1 A 110 110 VAL N N 110 118.530 115.429 3.101 1
1 1169 . 16 1 1 A 111 111 GLN H H 111 8.468 8.577 -0.109 1
1 1170 . 16 1 1 A 111 111 GLN HA H 111 4.422 4.990 -0.568 1
1 1177 . 16 1 1 A 111 111 GLN CA C 111 55.960 54.380 1.580 1
1 1178 . 16 1 1 A 111 111 GLN CB C 111 29.470 30.314 -0.844 1
1 1180 . 16 1 1 A 111 111 GLN N N 111 127.378 121.489 5.889 1
1 1182 . 16 1 1 A 112 112 CYS H H 112 8.785 8.768 0.017 1
1 1183 . 16 1 1 A 112 112 CYS HA H 112 4.782 5.019 -0.237 1
1 1186 . 16 1 1 A 112 112 CYS CA C 112 57.100 57.731 -0.631 1
1 1187 . 16 1 1 A 112 112 CYS CB C 112 33.700 31.039 2.661 1
1 1188 . 16 1 1 A 112 112 CYS N N 112 122.300 125.141 -2.841 1
1 1189 . 16 1 1 A 113 113 PHE H H 113 8.838 8.427 0.411 1
1 1190 . 16 1 1 A 113 113 PHE HA H 113 5.154 5.292 -0.138 1
1 1197 . 16 1 1 A 113 113 PHE CA C 113 58.650 57.270 1.380 1
1 1198 . 16 1 1 A 113 113 PHE CB C 113 40.210 41.130 -0.920 1
1 1201 . 16 1 1 A 113 113 PHE N N 113 118.974 120.886 -1.912 1
1 1202 . 16 1 1 A 114 114 VAL H H 114 9.079 8.673 0.406 1
1 1203 . 16 1 1 A 114 114 VAL HA H 114 4.472 4.766 -0.294 1
1 1211 . 16 1 1 A 114 114 VAL CA C 114 60.650 60.655 -0.005 1
1 1212 . 16 1 1 A 114 114 VAL CB C 114 35.970 35.977 -0.007 1
1 1215 . 16 1 1 A 114 114 VAL N N 114 121.660 120.959 0.701 1
1 1216 . 16 1 1 A 115 115 TYR H H 115 9.672 8.853 0.819 1
1 1217 . 16 1 1 A 115 115 TYR HA H 115 4.988 5.067 -0.079 1
1 1224 . 16 1 1 A 115 115 TYR CA C 115 59.240 57.161 2.079 1
1 1225 . 16 1 1 A 115 115 TYR CB C 115 36.925 39.620 -2.695 1
1 1228 . 16 1 1 A 115 115 TYR N N 115 127.830 125.103 2.727 1
1 1229 . 16 1 1 A 116 116 THR H H 116 9.061 9.008 0.053 1
1 1230 . 16 1 1 A 116 116 THR HA H 116 5.435 5.643 -0.208 1
1 1235 . 16 1 1 A 116 116 THR CA C 116 60.130 60.269 -0.139 1
1 1236 . 16 1 1 A 116 116 THR CB C 116 71.910 72.646 -0.736 1
1 1238 . 16 1 1 A 116 116 THR N N 116 119.130 113.822 5.308 1
1 1239 . 16 1 1 A 117 117 THR H H 117 8.707 8.700 0.007 1
1 1240 . 16 1 1 A 117 117 THR HA H 117 5.561 5.231 0.330 1
1 1245 . 16 1 1 A 117 117 THR CA C 117 60.160 60.272 -0.112 1
1 1246 . 16 1 1 A 117 117 THR CB C 117 70.170 71.484 -1.314 1
1 1248 . 16 1 1 A 117 117 THR N N 117 111.190 115.329 -4.139 1
1 1249 . 16 1 1 A 118 118 ALA H H 118 9.257 8.431 0.826 1
1 1250 . 16 1 1 A 118 118 ALA HA H 118 5.033 4.709 0.324 1
1 1254 . 16 1 1 A 118 118 ALA CA C 118 51.550 52.550 -1.000 1
1 1255 . 16 1 1 A 118 118 ALA CB C 118 20.050 19.776 0.274 1
1 1256 . 16 1 1 A 118 118 ALA N N 118 132.010 128.588 3.422 1
1 1257 . 16 1 1 A 119 119 THR H H 119 8.628 7.326 1.302 1
1 1258 . 16 1 1 A 119 119 THR HA H 119 4.143 4.384 -0.241 1
1 1263 . 16 1 1 A 119 119 THR CA C 119 60.090 60.910 -0.820 1
1 1264 . 16 1 1 A 119 119 THR CB C 119 68.056 68.989 -0.933 1
1 1266 . 16 1 1 A 119 119 THR N N 119 114.350 105.880 8.470 1
1 1267 . 16 1 1 A 120 120 TYR H H 120 6.281 7.035 -0.754 1
1 1268 . 16 1 1 A 120 120 TYR HA H 120 3.594 3.996 -0.402 1
1 1273 . 16 1 1 A 120 120 TYR CA C 120 53.530 57.105 -3.575 1
1 1274 . 16 1 1 A 120 120 TYR CB C 120 40.072 39.891 0.181 1
1 1276 . 16 1 1 A 120 120 TYR N N 120 117.205 121.141 -3.936 1
1 1277 . 16 1 1 A 121 121 ALA HA H 121 5.030 4.348 0.682 1
1 1278 . 16 1 1 A 121 121 ALA CA C 121 51.536 50.194 1.342 1
1 1279 . 16 1 1 A 122 122 PRO HA H 122 4.059 4.225 -0.166 1
1 1285 . 16 1 1 A 122 122 PRO CA C 122 65.435 64.636 0.799 1
1 1286 . 16 1 1 A 122 122 PRO CB C 122 31.680 32.039 -0.359 1
1 1289 . 16 1 1 A 123 123 GLU H H 123 9.336 8.818 0.518 1
1 1290 . 16 1 1 A 123 123 GLU HA H 123 4.169 3.446 0.723 1
1 1294 . 16 1 1 A 123 123 GLU CA C 123 59.100 58.696 0.404 1
1 1295 . 16 1 1 A 123 123 GLU CB C 123 27.940 28.725 -0.785 1
1 1297 . 16 1 1 A 123 123 GLU N N 123 115.528 115.554 -0.026 1
1 1298 . 16 1 1 A 124 124 TRP H H 124 8.560 7.559 1.001 1
1 1299 . 16 1 1 A 124 124 TRP HA H 124 4.671 4.470 0.201 1
1 1308 . 16 1 1 A 124 124 TRP CA C 124 57.370 60.369 -2.999 1
1 1309 . 16 1 1 A 124 124 TRP CB C 124 28.310 28.515 -0.205 1
1 1315 . 16 1 1 A 124 124 TRP N N 124 123.431 120.034 3.397 1
1 1317 . 16 1 1 A 125 125 LEU H H 125 7.378 7.564 -0.186 1
1 1318 . 16 1 1 A 125 125 LEU HA H 125 4.065 4.142 -0.077 1
1 1328 . 16 1 1 A 125 125 LEU CA C 125 56.060 57.300 -1.240 1
1 1329 . 16 1 1 A 125 125 LEU CB C 125 41.220 41.676 -0.456 1
1 1333 . 16 1 1 A 125 125 LEU N N 125 113.660 120.660 -7.000 1
1 1334 . 16 1 1 A 126 126 PHE H H 126 7.415 7.554 -0.139 1
1 1335 . 16 1 1 A 126 126 PHE HA H 126 4.640 4.422 0.218 1
1 1342 . 16 1 1 A 126 126 PHE CA C 126 56.940 59.048 -2.108 1
1 1343 . 16 1 1 A 126 126 PHE CB C 126 38.670 39.839 -1.169 1
1 1346 . 16 1 1 A 126 126 PHE N N 126 116.360 115.718 0.642 1
1 1347 . 16 1 1 A 127 127 LEU H H 127 7.168 6.926 0.242 1
1 1348 . 16 1 1 A 127 127 LEU HA H 127 4.529 4.390 0.139 1
1 1358 . 16 1 1 A 127 127 LEU CA C 127 53.580 53.810 -0.230 1
1 1359 . 16 1 1 A 127 127 LEU CB C 127 40.832 41.022 -0.190 1
1 1363 . 16 1 1 A 127 127 LEU N N 127 122.990 120.774 2.216 1
1 1364 . 16 1 1 A 128 128 PRO HA H 128 3.986 4.455 -0.469 1
1 1371 . 16 1 1 A 128 128 PRO CA C 128 63.140 62.460 0.680 1
1 1372 . 16 1 1 A 128 128 PRO CB C 128 31.993 32.126 -0.133 1
1 1375 . 16 1 1 A 129 129 TYR H H 129 8.070 8.348 -0.278 1
1 1376 . 16 1 1 A 129 129 TYR HA H 129 5.529 5.188 0.341 1
1 1383 . 16 1 1 A 129 129 TYR CA C 129 52.486 57.917 -5.431 1
1 1384 . 16 1 1 A 129 129 TYR CB C 129 36.760 39.935 -3.175 1
1 1387 . 16 1 1 A 129 129 TYR N N 129 120.100 121.032 -0.932 1
1 1388 . 16 1 1 A 130 130 HIS H H 130 9.193 8.808 0.385 1
1 1389 . 16 1 1 A 130 130 HIS HA H 130 4.733 5.063 -0.330 1
1 1393 . 16 1 1 A 130 130 HIS CA C 130 55.920 54.466 1.454 1
1 1394 . 16 1 1 A 130 130 HIS CB C 130 32.908 33.278 -0.370 1
1 1396 . 16 1 1 A 130 130 HIS N N 130 121.985 118.477 3.508 1
1 1397 . 16 1 1 A 131 131 GLU H H 131 9.093 9.249 -0.156 1
1 1398 . 16 1 1 A 131 131 GLU HA H 131 4.277 4.333 -0.056 1
1 1402 . 16 1 1 A 131 131 GLU CA C 131 58.110 58.111 -0.001 1
1 1403 . 16 1 1 A 131 131 GLU CB C 131 30.700 30.891 -0.191 1
1 1405 . 16 1 1 A 131 131 GLU N N 131 122.150 122.258 -0.108 1
1 1406 . 16 1 1 A 132 132 SER H H 132 7.621 7.892 -0.271 1
1 1407 . 16 1 1 A 132 132 SER HA H 132 4.686 4.857 -0.171 1
1 1410 . 16 1 1 A 132 132 SER CA C 132 56.340 57.775 -1.435 1
1 1411 . 16 1 1 A 132 132 SER CB C 132 65.050 65.437 -0.387 1
1 1412 . 16 1 1 A 132 132 SER N N 132 108.030 111.184 -3.154 1
1 1413 . 16 1 1 A 133 133 TYR H H 133 8.667 8.858 -0.191 1
1 1414 . 16 1 1 A 133 133 TYR HA H 133 4.564 5.402 -0.838 1
1 1419 . 16 1 1 A 133 133 TYR CA C 133 57.910 56.437 1.473 1
1 1420 . 16 1 1 A 133 133 TYR CB C 133 40.720 41.588 -0.868 1
1 1422 . 16 1 1 A 133 133 TYR N N 133 121.977 123.801 -1.824 1
1 1423 . 16 1 1 A 134 134 ASP H H 134 7.303 8.914 -1.611 1
1 1424 . 16 1 1 A 134 134 ASP HA H 134 3.944 5.185 -1.241 1
1 1427 . 16 1 1 A 134 134 ASP CA C 134 52.540 52.261 0.279 1
1 1428 . 16 1 1 A 134 134 ASP CB C 134 42.900 44.785 -1.885 1
1 1429 . 16 1 1 A 134 134 ASP N N 134 127.820 126.457 1.363 1
1 1430 . 16 1 1 A 135 135 SER H H 135 9.392 8.710 0.682 1
1 1431 . 16 1 1 A 135 135 SER HA H 135 3.945 4.227 -0.282 1
1 1434 . 16 1 1 A 135 135 SER CA C 135 61.770 60.115 1.655 1
1 1435 . 16 1 1 A 135 135 SER CB C 135 63.561 63.071 0.490 1
1 1436 . 16 1 1 A 135 135 SER N N 135 127.670 116.903 10.767 1
1 1437 . 16 1 1 A 136 136 GLU H H 136 7.546 7.887 -0.341 1
1 1438 . 16 1 1 A 136 136 GLU HA H 136 4.233 4.463 -0.230 1
1 1443 . 16 1 1 A 136 136 GLU CA C 136 54.796 55.559 -0.763 1
1 1444 . 16 1 1 A 136 136 GLU CB C 136 28.420 30.277 -1.857 1
1 1446 . 16 1 1 A 136 136 GLU N N 136 113.107 118.406 -5.299 1
1 1447 . 16 1 1 A 137 137 GLY H H 137 7.241 8.387 -1.146 1
1 1448 . 16 1 1 A 137 137 GLY HA2 H 137 3.994 3.982 0.012 1
1 1449 . 16 1 1 A 137 137 GLY HA3 H 137 3.503 4.199 -0.696 1
1 1450 . 16 1 1 A 137 137 GLY CA C 137 44.880 43.552 1.328 1
1 1451 . 16 1 1 A 137 137 GLY N N 137 104.690 110.003 -5.313 1
1 1452 . 16 1 1 A 138 138 PRO HA H 138 4.211 4.341 -0.130 1
1 1459 . 16 1 1 A 138 138 PRO CA C 138 64.830 64.729 0.101 1
1 1460 . 16 1 1 A 138 138 PRO CB C 138 31.180 32.002 -0.822 1
1 1463 . 16 1 1 A 139 139 HIS H H 139 6.414 7.974 -1.560 1
1 1464 . 16 1 1 A 139 139 HIS HA H 139 4.299 4.624 -0.325 1
1 1467 . 16 1 1 A 139 139 HIS CA C 139 55.080 55.368 -0.288 1
1 1468 . 16 1 1 A 139 139 HIS CB C 139 30.260 29.040 1.220 1
1 1470 . 16 1 1 A 139 139 HIS N N 139 116.498 114.157 2.341 1
1 1471 . 16 1 1 A 140 140 GLY H H 140 7.082 8.548 -1.466 1
1 1472 . 16 1 1 A 140 140 GLY HA2 H 140 3.919 3.725 0.194 1
1 1473 . 16 1 1 A 140 140 GLY HA3 H 140 3.721 3.763 -0.042 1
1 1474 . 16 1 1 A 140 140 GLY CA C 140 46.590 47.300 -0.710 1
1 1475 . 16 1 1 A 140 140 GLY N N 140 108.485 110.184 -1.699 1
1 1476 . 16 1 1 A 141 141 LEU HA H 141 4.451 4.406 0.045 1
1 1483 . 16 1 1 A 141 141 LEU CA C 141 53.024 54.299 -1.275 1
1 1484 . 16 1 1 A 141 141 LEU CB C 141 39.500 41.404 -1.904 1
1 1487 . 16 1 1 A 142 142 ARG H H 142 7.472 8.299 -0.827 1
1 1488 . 16 1 1 A 142 142 ARG HA H 142 4.724 4.960 -0.236 1
1 1493 . 16 1 1 A 142 142 ARG CA C 142 55.940 54.422 1.518 1
1 1494 . 16 1 1 A 142 142 ARG CB C 142 31.070 32.896 -1.826 1
1 1497 . 16 1 1 A 142 142 ARG N N 142 121.987 125.469 -3.482 1
1 1499 . 16 1 1 A 143 143 TYR H H 143 8.487 8.922 -0.435 1
1 1500 . 16 1 1 A 143 143 TYR HA H 143 4.474 4.781 -0.307 1
1 1507 . 16 1 1 A 143 143 TYR CA C 143 59.015 59.408 -0.393 1
1 1508 . 16 1 1 A 143 143 TYR CB C 143 38.720 39.011 -0.291 1
1 1511 . 16 1 1 A 143 143 TYR N N 143 127.896 122.678 5.218 1
1 1512 . 16 1 1 A 144 144 ASN H H 144 7.805 8.421 -0.616 1
1 1513 . 16 1 1 A 144 144 ASN HA H 144 4.892 5.382 -0.490 1
1 1518 . 16 1 1 A 144 144 ASN CA C 144 50.120 50.611 -0.491 1
1 1519 . 16 1 1 A 144 144 ASN CB C 144 39.360 39.368 -0.008 1
1 1520 . 16 1 1 A 144 144 ASN N N 144 125.629 126.706 -1.077 1
1 1522 . 16 1 1 A 145 145 PRO HA H 145 3.975 4.232 -0.257 1
1 1528 . 16 1 1 A 145 145 PRO CA C 145 63.140 63.959 -0.819 1
1 1529 . 16 1 1 A 145 145 PRO CB C 145 32.386 31.490 0.896 1
1 1532 . 16 1 1 A 146 146 ARG H H 146 8.055 7.672 0.383 1
1 1533 . 16 1 1 A 146 146 ARG HA H 146 3.918 4.524 -0.606 1
1 1541 . 16 1 1 A 146 146 ARG CA C 146 56.740 55.508 1.232 1
1 1542 . 16 1 1 A 146 146 ARG CB C 146 30.430 31.241 -0.811 1
1 1545 . 16 1 1 A 146 146 ARG N N 146 120.069 118.943 1.126 1
1 1547 . 16 1 1 A 147 147 GLU H H 147 8.440 7.781 0.659 1
1 1548 . 16 1 1 A 147 147 GLU HA H 147 4.167 4.453 -0.286 1
1 1552 . 16 1 1 A 147 147 GLU CA C 147 56.710 55.738 0.972 1
1 1553 . 16 1 1 A 147 147 GLU CB C 147 30.150 28.981 1.169 1
1 1555 . 16 1 1 A 147 147 GLU N N 147 120.760 120.875 -0.115 1
1 1556 . 16 1 1 A 148 148 ASN H H 148 8.363 9.600 -1.237 1
1 1557 . 16 1 1 A 148 148 ASN HA H 148 4.652 4.431 0.221 1
1 1562 . 16 1 1 A 148 148 ASN CA C 148 53.240 54.548 -1.308 1
1 1563 . 16 1 1 A 148 148 ASN CB C 148 38.840 36.909 1.931 1
1 1564 . 16 1 1 A 148 148 ASN N N 148 120.210 123.774 -3.564 1
1 1 . 17 1 1 A 2 2 ALA HA H 2 4.182 4.743 -0.561 1
1 5 . 17 1 1 A 2 2 ALA CA C 2 51.510 51.795 -0.285 1
1 6 . 17 1 1 A 2 2 ALA CB C 2 20.090 19.791 0.299 1
1 7 . 17 1 1 A 3 3 HIS H H 3 9.173 8.623 0.550 1
1 8 . 17 1 1 A 3 3 HIS HA H 3 5.839 4.866 0.973 1
1 12 . 17 1 1 A 3 3 HIS CA C 3 56.960 57.146 -0.186 1
1 13 . 17 1 1 A 3 3 HIS CB C 3 32.820 30.342 2.478 1
1 15 . 17 1 1 A 3 3 HIS N N 3 118.801 122.853 -4.052 1
1 16 . 17 1 1 A 4 4 ILE H H 4 9.494 9.387 0.107 1
1 17 . 17 1 1 A 4 4 ILE HA H 4 5.508 5.143 0.365 1
1 27 . 17 1 1 A 4 4 ILE CA C 4 58.300 59.376 -1.076 1
1 28 . 17 1 1 A 4 4 ILE CB C 4 41.930 40.959 0.971 1
1 32 . 17 1 1 A 4 4 ILE N N 4 118.202 119.932 -1.730 1
1 33 . 17 1 1 A 5 5 PHE H H 5 8.815 8.917 -0.102 1
1 34 . 17 1 1 A 5 5 PHE HA H 5 5.789 5.365 0.424 1
1 42 . 17 1 1 A 5 5 PHE CA C 5 55.153 56.331 -1.178 1
1 43 . 17 1 1 A 5 5 PHE CB C 5 40.740 42.910 -2.170 1
1 47 . 17 1 1 A 5 5 PHE N N 5 126.107 124.090 2.017 1
1 48 . 17 1 1 A 6 6 VAL H H 6 9.078 7.683 1.395 1
1 49 . 17 1 1 A 6 6 VAL HA H 6 4.357 5.096 -0.739 1
1 57 . 17 1 1 A 6 6 VAL CA C 6 59.157 59.447 -0.290 1
1 58 . 17 1 1 A 6 6 VAL CB C 6 33.473 34.292 -0.819 1
1 61 . 17 1 1 A 6 6 VAL N N 6 118.658 123.529 -4.871 1
1 62 . 17 1 1 A 7 7 TYR H H 7 6.878 9.067 -2.189 1
1 63 . 17 1 1 A 7 7 TYR HA H 7 4.170 4.118 0.052 1
1 66 . 17 1 1 A 7 7 TYR CB C 7 36.608 39.267 -2.659 1
1 67 . 17 1 1 A 7 7 TYR N N 7 116.860 129.060 -12.200 1
1 68 . 17 1 1 A 8 8 GLY HA2 H 8 4.195 3.740 0.455 1
1 69 . 17 1 1 A 8 8 GLY HA3 H 8 2.933 3.918 -0.985 1
1 70 . 17 1 1 A 8 8 GLY CA C 8 46.169 45.306 0.863 1
1 71 . 17 1 1 A 9 9 THR H H 9 7.618 8.407 -0.789 1
1 72 . 17 1 1 A 9 9 THR HA H 9 3.831 4.234 -0.403 1
1 77 . 17 1 1 A 9 9 THR CA C 9 64.570 64.736 -0.166 1
1 78 . 17 1 1 A 9 9 THR CB C 9 68.494 68.808 -0.314 1
1 80 . 17 1 1 A 9 9 THR N N 9 115.934 114.245 1.689 1
1 81 . 17 1 1 A 10 10 LEU H H 10 7.561 7.641 -0.080 1
1 82 . 17 1 1 A 10 10 LEU HA H 10 3.673 4.474 -0.801 1
1 92 . 17 1 1 A 10 10 LEU CA C 10 55.950 53.869 2.081 1
1 93 . 17 1 1 A 10 10 LEU CB C 10 41.610 42.734 -1.124 1
1 97 . 17 1 1 A 10 10 LEU N N 10 120.151 120.232 -0.081 1
1 98 . 17 1 1 A 11 11 LYS H H 11 6.738 7.852 -1.114 1
1 99 . 17 1 1 A 11 11 LYS HA H 11 4.007 4.757 -0.750 1
1 103 . 17 1 1 A 11 11 LYS CA C 11 57.390 55.833 1.557 1
1 104 . 17 1 1 A 11 11 LYS CB C 11 34.322 33.704 0.618 1
1 106 . 17 1 1 A 11 11 LYS N N 11 116.295 117.621 -1.326 1
1 107 . 17 1 1 A 12 12 ARG H H 12 9.432 8.167 1.265 1
1 108 . 17 1 1 A 12 12 ARG HA H 12 2.029 4.685 -2.656 1
1 115 . 17 1 1 A 12 12 ARG CA C 12 58.420 56.957 1.463 1
1 116 . 17 1 1 A 12 12 ARG CB C 12 29.190 32.187 -2.997 1
1 119 . 17 1 1 A 12 12 ARG N N 12 120.863 117.813 3.050 1
1 120 . 17 1 1 A 13 13 GLY H H 13 8.048 7.597 0.451 1
1 121 . 17 1 1 A 13 13 GLY HA2 H 13 3.990 4.081 -0.091 1
1 122 . 17 1 1 A 13 13 GLY HA3 H 13 3.538 4.084 -0.546 1
1 123 . 17 1 1 A 13 13 GLY CA C 13 45.490 45.711 -0.221 1
1 124 . 17 1 1 A 13 13 GLY N N 13 111.120 105.249 5.871 1
1 125 . 17 1 1 A 14 14 GLN H H 14 7.904 7.592 0.312 1
1 126 . 17 1 1 A 14 14 GLN HA H 14 4.682 4.407 0.275 1
1 133 . 17 1 1 A 14 14 GLN CA C 14 53.440 54.748 -1.308 1
1 134 . 17 1 1 A 14 14 GLN CB C 14 27.115 28.431 -1.316 1
1 136 . 17 1 1 A 14 14 GLN N N 14 117.811 120.485 -2.674 1
1 138 . 17 1 1 A 15 15 PRO HA H 15 4.342 4.552 -0.210 1
1 145 . 17 1 1 A 15 15 PRO CA C 15 66.870 64.226 2.644 1
1 146 . 17 1 1 A 15 15 PRO CB C 15 34.060 31.828 2.232 1
1 149 . 17 1 1 A 16 16 ASN H H 16 8.287 8.493 -0.206 1
1 150 . 17 1 1 A 16 16 ASN HA H 16 5.356 4.947 0.409 1
1 155 . 17 1 1 A 16 16 ASN CA C 16 52.230 53.621 -1.391 1
1 156 . 17 1 1 A 16 16 ASN CB C 16 39.030 39.391 -0.361 1
1 157 . 17 1 1 A 16 16 ASN N N 16 110.638 116.681 -6.043 1
1 159 . 17 1 1 A 17 17 HIS H H 17 7.819 7.776 0.043 1
1 160 . 17 1 1 A 17 17 HIS HA H 17 3.815 4.204 -0.389 1
1 164 . 17 1 1 A 17 17 HIS CA C 17 60.140 59.628 0.512 1
1 165 . 17 1 1 A 17 17 HIS CB C 17 27.680 29.926 -2.246 1
1 167 . 17 1 1 A 17 17 HIS N N 17 121.058 120.681 0.377 1
1 168 . 17 1 1 A 18 18 LYS H H 18 8.326 8.305 0.021 1
1 169 . 17 1 1 A 18 18 LYS HA H 18 3.695 4.090 -0.395 1
1 175 . 17 1 1 A 18 18 LYS CA C 18 58.890 58.792 0.098 1
1 176 . 17 1 1 A 18 18 LYS CB C 18 31.070 31.774 -0.704 1
1 180 . 17 1 1 A 18 18 LYS N N 18 112.812 117.502 -4.690 1
1 181 . 17 1 1 A 19 19 VAL H H 19 7.373 7.543 -0.170 1
1 182 . 17 1 1 A 19 19 VAL HA H 19 3.816 4.210 -0.394 1
1 190 . 17 1 1 A 19 19 VAL CA C 19 64.960 64.308 0.652 1
1 191 . 17 1 1 A 19 19 VAL CB C 19 30.960 31.368 -0.408 1
1 194 . 17 1 1 A 19 19 VAL N N 19 117.691 116.178 1.513 1
1 195 . 17 1 1 A 20 20 MET H H 20 7.329 7.737 -0.408 1
1 196 . 17 1 1 A 20 20 MET HA H 20 3.951 4.413 -0.462 1
1 204 . 17 1 1 A 20 20 MET CA C 20 55.560 55.478 0.082 1
1 205 . 17 1 1 A 20 20 MET CB C 20 31.460 32.328 -0.868 1
1 208 . 17 1 1 A 20 20 MET N N 20 114.870 119.231 -4.361 1
1 209 . 17 1 1 A 21 21 LEU H H 21 6.718 7.950 -1.232 1
1 210 . 17 1 1 A 21 21 LEU HA H 21 4.091 4.416 -0.325 1
1 220 . 17 1 1 A 21 21 LEU CA C 21 54.140 54.064 0.076 1
1 221 . 17 1 1 A 21 21 LEU CB C 21 42.310 41.473 0.837 1
1 225 . 17 1 1 A 21 21 LEU N N 21 116.021 117.714 -1.693 1
1 226 . 17 1 1 A 22 22 ASP H H 22 6.399 7.612 -1.213 1
1 227 . 17 1 1 A 22 22 ASP HA H 22 4.288 4.752 -0.464 1
1 229 . 17 1 1 A 22 22 ASP CA C 22 52.776 52.637 0.139 1
1 230 . 17 1 1 A 22 22 ASP CB C 22 40.180 40.487 -0.307 1
1 231 . 17 1 1 A 22 22 ASP N N 22 117.972 120.449 -2.477 1
1 232 . 17 1 1 A 23 23 HIS H H 23 8.601 8.418 0.183 1
1 233 . 17 1 1 A 23 23 HIS HA H 23 4.848 4.232 0.616 1
1 237 . 17 1 1 A 23 23 HIS CA C 23 55.800 58.902 -3.102 1
1 238 . 17 1 1 A 23 23 HIS CB C 23 27.860 30.058 -2.198 1
1 240 . 17 1 1 A 23 23 HIS N N 23 123.395 123.771 -0.376 1
1 241 . 17 1 1 A 24 24 SER H H 24 8.526 8.069 0.457 1
1 242 . 17 1 1 A 24 24 SER HA H 24 4.105 3.848 0.257 1
1 244 . 17 1 1 A 24 24 SER CA C 24 60.870 62.389 -1.519 1
1 245 . 17 1 1 A 24 24 SER CB C 24 62.510 63.113 -0.603 1
1 246 . 17 1 1 A 24 24 SER N N 24 117.035 115.375 1.660 1
1 247 . 17 1 1 A 25 25 HIS H H 25 7.450 7.907 -0.457 1
1 248 . 17 1 1 A 25 25 HIS HA H 25 4.494 4.041 0.453 1
1 252 . 17 1 1 A 25 25 HIS CA C 25 53.900 58.023 -4.123 1
1 253 . 17 1 1 A 25 25 HIS CB C 25 28.320 29.284 -0.964 1
1 255 . 17 1 1 A 25 25 HIS N N 25 117.560 118.060 -0.500 1
1 256 . 17 1 1 A 26 26 GLY H H 26 6.926 7.286 -0.360 1
1 257 . 17 1 1 A 26 26 GLY HA2 H 26 3.587 3.980 -0.393 1
1 258 . 17 1 1 A 26 26 GLY HA3 H 26 4.362 4.033 0.329 1
1 259 . 17 1 1 A 26 26 GLY CA C 26 43.730 44.382 -0.652 1
1 260 . 17 1 1 A 26 26 GLY N N 26 103.120 105.001 -1.881 1
1 261 . 17 1 1 A 27 27 LEU H H 27 8.579 8.844 -0.265 1
1 262 . 17 1 1 A 27 27 LEU HA H 27 4.327 4.925 -0.598 1
1 271 . 17 1 1 A 27 27 LEU CA C 27 54.520 54.042 0.478 1
1 272 . 17 1 1 A 27 27 LEU CB C 27 44.250 44.026 0.224 1
1 276 . 17 1 1 A 27 27 LEU N N 27 121.940 121.677 0.263 1
1 277 . 17 1 1 A 28 28 ALA H H 28 7.776 8.861 -1.085 1
1 278 . 17 1 1 A 28 28 ALA HA H 28 5.231 5.518 -0.287 1
1 282 . 17 1 1 A 28 28 ALA CA C 28 50.990 50.498 0.492 1
1 283 . 17 1 1 A 28 28 ALA CB C 28 22.580 23.631 -1.051 1
1 284 . 17 1 1 A 28 28 ALA N N 28 123.020 127.992 -4.972 1
1 285 . 17 1 1 A 29 29 ALA H H 29 9.231 8.624 0.607 1
1 286 . 17 1 1 A 29 29 ALA HA H 29 4.857 5.138 -0.281 1
1 290 . 17 1 1 A 29 29 ALA CA C 29 50.661 51.206 -0.545 1
1 291 . 17 1 1 A 29 29 ALA CB C 29 21.140 22.786 -1.646 1
1 292 . 17 1 1 A 29 29 ALA N N 29 125.760 121.155 4.605 1
1 293 . 17 1 1 A 30 30 PHE H H 30 9.083 9.072 0.011 1
1 294 . 17 1 1 A 30 30 PHE HA H 30 3.397 4.089 -0.692 1
1 301 . 17 1 1 A 30 30 PHE CA C 30 59.895 56.784 3.111 1
1 302 . 17 1 1 A 30 30 PHE CB C 30 38.810 38.435 0.375 1
1 305 . 17 1 1 A 30 30 PHE N N 30 126.590 124.874 1.716 1
1 306 . 17 1 1 A 31 31 ARG H H 31 8.102 8.572 -0.470 1
1 307 . 17 1 1 A 31 31 ARG HA H 31 3.941 4.304 -0.363 1
1 314 . 17 1 1 A 31 31 ARG CA C 31 53.120 54.344 -1.224 1
1 315 . 17 1 1 A 31 31 ARG CB C 31 31.665 30.352 1.313 1
1 318 . 17 1 1 A 31 31 ARG N N 31 125.007 127.454 -2.447 1
1 320 . 17 1 1 A 32 32 GLY H H 32 5.465 8.174 -2.709 1
1 321 . 17 1 1 A 32 32 GLY HA2 H 32 3.264 4.046 -0.782 1
1 322 . 17 1 1 A 32 32 GLY HA3 H 32 4.670 4.099 0.571 1
1 323 . 17 1 1 A 32 32 GLY CA C 32 45.150 44.446 0.704 1
1 324 . 17 1 1 A 32 32 GLY N N 32 101.400 113.851 -12.451 1
1 325 . 17 1 1 A 33 33 ARG H H 33 8.345 8.714 -0.369 1
1 326 . 17 1 1 A 33 33 ARG HA H 33 5.158 5.092 0.066 1
1 332 . 17 1 1 A 33 33 ARG CA C 33 54.924 54.529 0.395 1
1 333 . 17 1 1 A 33 33 ARG CB C 33 34.180 34.399 -0.219 1
1 336 . 17 1 1 A 33 33 ARG N N 33 116.822 118.775 -1.953 1
1 338 . 17 1 1 A 34 34 GLY H H 34 8.549 8.190 0.359 1
1 339 . 17 1 1 A 34 34 GLY HA2 H 34 5.154 4.395 0.759 1
1 340 . 17 1 1 A 34 34 GLY HA3 H 34 3.752 4.488 -0.736 1
1 341 . 17 1 1 A 34 34 GLY CA C 34 45.620 45.926 -0.306 1
1 342 . 17 1 1 A 34 34 GLY N N 34 107.400 107.971 -0.571 1
1 343 . 17 1 1 A 35 35 CYS H H 35 8.803 8.808 -0.005 1
1 344 . 17 1 1 A 35 35 CYS HA H 35 5.893 5.516 0.377 1
1 347 . 17 1 1 A 35 35 CYS CA C 35 55.420 58.044 -2.624 1
1 348 . 17 1 1 A 35 35 CYS CB C 35 30.960 31.789 -0.829 1
1 349 . 17 1 1 A 35 35 CYS N N 35 117.781 119.391 -1.610 1
1 350 . 17 1 1 A 36 36 THR H H 36 9.033 8.260 0.773 1
1 351 . 17 1 1 A 36 36 THR HA H 36 3.835 4.278 -0.443 1
1 356 . 17 1 1 A 36 36 THR CA C 36 64.160 61.997 2.163 1
1 357 . 17 1 1 A 36 36 THR CB C 36 68.200 68.617 -0.417 1
1 359 . 17 1 1 A 36 36 THR N N 36 117.973 116.193 1.780 1
1 360 . 17 1 1 A 37 37 VAL H H 37 7.545 8.252 -0.707 1
1 361 . 17 1 1 A 37 37 VAL HA H 37 3.709 3.891 -0.182 1
1 369 . 17 1 1 A 37 37 VAL CA C 37 65.740 65.139 0.601 1
1 370 . 17 1 1 A 37 37 VAL CB C 37 32.410 31.369 1.041 1
1 373 . 17 1 1 A 37 37 VAL N N 37 121.706 122.315 -0.609 1
1 374 . 17 1 1 A 38 38 GLU H H 38 8.540 7.121 1.419 1
1 375 . 17 1 1 A 38 38 GLU HA H 38 4.264 4.024 0.240 1
1 380 . 17 1 1 A 38 38 GLU CA C 38 54.260 56.231 -1.971 1
1 381 . 17 1 1 A 38 38 GLU CB C 38 30.770 29.832 0.938 1
1 383 . 17 1 1 A 38 38 GLU N N 38 119.219 123.776 -4.557 1
1 384 . 17 1 1 A 39 39 SER H H 39 8.692 7.716 0.976 1
1 385 . 17 1 1 A 39 39 SER HA H 39 4.035 4.602 -0.567 1
1 388 . 17 1 1 A 39 39 SER CA C 39 57.370 59.588 -2.218 1
1 389 . 17 1 1 A 39 39 SER CB C 39 63.760 63.736 0.024 1
1 390 . 17 1 1 A 39 39 SER N N 39 118.941 121.007 -2.066 1
1 391 . 17 1 1 A 40 40 PHE H H 40 8.302 8.858 -0.556 1
1 392 . 17 1 1 A 40 40 PHE HA H 40 4.986 4.867 0.119 1
1 400 . 17 1 1 A 40 40 PHE CA C 40 57.320 55.568 1.752 1
1 401 . 17 1 1 A 40 40 PHE CB C 40 44.292 42.605 1.687 1
1 405 . 17 1 1 A 40 40 PHE N N 40 119.300 122.119 -2.819 1
1 406 . 17 1 1 A 41 41 PRO HA H 41 3.828 3.897 -0.069 1
1 413 . 17 1 1 A 41 41 PRO CA C 41 62.270 62.052 0.218 1
1 414 . 17 1 1 A 41 41 PRO CB C 41 30.790 30.083 0.707 1
1 417 . 17 1 1 A 42 42 LEU H H 42 7.964 8.500 -0.536 1
1 418 . 17 1 1 A 42 42 LEU HA H 42 5.352 4.854 0.498 1
1 427 . 17 1 1 A 42 42 LEU CA C 42 53.830 54.251 -0.421 1
1 428 . 17 1 1 A 42 42 LEU CB C 42 42.380 43.509 -1.129 1
1 431 . 17 1 1 A 42 42 LEU N N 42 129.948 124.297 5.651 1
1 432 . 17 1 1 A 43 43 VAL H H 43 8.607 8.822 -0.215 1
1 433 . 17 1 1 A 43 43 VAL HA H 43 5.296 5.067 0.229 1
1 441 . 17 1 1 A 43 43 VAL CA C 43 58.040 59.298 -1.258 1
1 442 . 17 1 1 A 43 43 VAL CB C 43 35.220 35.626 -0.406 1
1 445 . 17 1 1 A 43 43 VAL N N 43 117.190 120.543 -3.353 1
1 446 . 17 1 1 A 44 44 ILE H H 44 9.056 8.842 0.214 1
1 447 . 17 1 1 A 44 44 ILE HA H 44 4.426 4.770 -0.344 1
1 457 . 17 1 1 A 44 44 ILE CA C 44 61.156 60.560 0.596 1
1 458 . 17 1 1 A 44 44 ILE CB C 44 38.544 38.333 0.211 1
1 462 . 17 1 1 A 44 44 ILE N N 44 122.963 125.106 -2.143 1
1 463 . 17 1 1 A 45 45 ALA H H 45 8.701 8.030 0.671 1
1 464 . 17 1 1 A 45 45 ALA HA H 45 4.626 4.596 0.030 1
1 468 . 17 1 1 A 45 45 ALA CA C 45 51.430 50.700 0.730 1
1 469 . 17 1 1 A 45 45 ALA CB C 45 21.670 20.456 1.214 1
1 470 . 17 1 1 A 45 45 ALA N N 45 126.347 130.019 -3.672 1
1 471 . 17 1 1 A 46 46 GLY H H 46 8.486 8.754 -0.268 1
1 472 . 17 1 1 A 46 46 GLY HA2 H 46 4.587 4.201 0.386 1
1 473 . 17 1 1 A 46 46 GLY HA3 H 46 4.084 4.230 -0.146 1
1 474 . 17 1 1 A 46 46 GLY CA C 46 44.500 45.005 -0.505 1
1 475 . 17 1 1 A 46 46 GLY N N 46 108.262 106.816 1.446 1
1 476 . 17 1 1 A 47 47 GLU H H 47 8.938 9.160 -0.222 1
1 477 . 17 1 1 A 47 47 GLU HA H 47 4.003 4.058 -0.055 1
1 480 . 17 1 1 A 47 47 GLU CA C 47 58.820 58.832 -0.012 1
1 481 . 17 1 1 A 47 47 GLU CB C 47 29.500 29.034 0.466 1
1 482 . 17 1 1 A 47 47 GLU N N 47 118.010 120.927 -2.917 1
1 483 . 17 1 1 A 48 48 HIS H H 48 8.742 7.774 0.968 1
1 484 . 17 1 1 A 48 48 HIS HA H 48 4.704 4.614 0.090 1
1 488 . 17 1 1 A 48 48 HIS CA C 48 55.130 55.746 -0.616 1
1 489 . 17 1 1 A 48 48 HIS CB C 48 29.110 29.938 -0.828 1
1 491 . 17 1 1 A 48 48 HIS N N 48 115.306 116.081 -0.775 1
1 492 . 17 1 1 A 49 49 ASN H H 49 7.810 8.111 -0.301 1
1 493 . 17 1 1 A 49 49 ASN HA H 49 3.878 4.284 -0.406 1
1 498 . 17 1 1 A 49 49 ASN CA C 49 53.876 54.303 -0.427 1
1 499 . 17 1 1 A 49 49 ASN CB C 49 36.030 36.673 -0.643 1
1 500 . 17 1 1 A 49 49 ASN N N 49 114.919 114.165 0.754 1
1 502 . 17 1 1 A 50 50 ILE H H 50 7.046 7.917 -0.871 1
1 503 . 17 1 1 A 50 50 ILE HA H 50 4.022 4.544 -0.522 1
1 513 . 17 1 1 A 50 50 ILE CA C 50 59.430 58.120 1.310 1
1 514 . 17 1 1 A 50 50 ILE CB C 50 41.326 38.378 2.948 1
1 518 . 17 1 1 A 50 50 ILE N N 50 120.995 120.065 0.930 1
1 519 . 17 1 1 A 51 51 PRO HA H 51 5.194 4.804 0.390 1
1 521 . 17 1 1 A 51 51 PRO CA C 51 60.560 62.655 -2.095 1
1 522 . 17 1 1 A 51 51 PRO CB C 51 31.841 32.545 -0.704 1
1 523 . 17 1 1 A 52 52 TRP H H 52 9.564 8.359 1.205 1
1 524 . 17 1 1 A 52 52 TRP HA H 52 4.805 5.454 -0.649 1
1 532 . 17 1 1 A 52 52 TRP CA C 52 56.550 55.642 0.908 1
1 533 . 17 1 1 A 52 52 TRP CB C 52 32.300 34.863 -2.563 1
1 539 . 17 1 1 A 52 52 TRP N N 52 123.070 121.269 1.801 1
1 541 . 17 1 1 A 53 53 LEU H H 53 7.227 8.818 -1.591 1
1 542 . 17 1 1 A 53 53 LEU HA H 53 4.863 4.923 -0.060 1
1 552 . 17 1 1 A 53 53 LEU CA C 53 53.790 54.310 -0.520 1
1 553 . 17 1 1 A 53 53 LEU CB C 53 42.250 45.656 -3.406 1
1 557 . 17 1 1 A 53 53 LEU N N 53 124.700 121.977 2.723 1
1 558 . 17 1 1 A 54 54 LEU H H 54 9.021 8.798 0.223 1
1 559 . 17 1 1 A 54 54 LEU HA H 54 4.618 4.920 -0.302 1
1 569 . 17 1 1 A 54 54 LEU CA C 54 54.030 53.909 0.121 1
1 570 . 17 1 1 A 54 54 LEU CB C 54 40.360 43.705 -3.345 1
1 574 . 17 1 1 A 54 54 LEU N N 54 126.893 128.053 -1.160 1
1 575 . 17 1 1 A 55 55 TYR H H 55 8.884 8.526 0.358 1
1 576 . 17 1 1 A 55 55 TYR HA H 55 4.562 4.698 -0.136 1
1 583 . 17 1 1 A 55 55 TYR CA C 55 58.420 56.707 1.713 1
1 584 . 17 1 1 A 55 55 TYR CB C 55 36.180 38.163 -1.983 1
1 587 . 17 1 1 A 55 55 TYR N N 55 123.430 125.816 -2.386 1
1 588 . 17 1 1 A 56 56 LEU H H 56 8.192 8.637 -0.445 1
1 589 . 17 1 1 A 56 56 LEU HA H 56 4.530 4.736 -0.206 1
1 598 . 17 1 1 A 56 56 LEU CA C 56 51.720 51.759 -0.039 1
1 599 . 17 1 1 A 56 56 LEU CB C 56 43.260 43.196 0.064 1
1 602 . 17 1 1 A 56 56 LEU N N 56 130.832 128.237 2.595 1
1 603 . 17 1 1 A 57 57 PRO HA H 57 3.779 3.608 0.171 1
1 610 . 17 1 1 A 57 57 PRO CA C 57 62.240 63.280 -1.040 1
1 611 . 17 1 1 A 57 57 PRO CB C 57 31.130 31.043 0.087 1
1 614 . 17 1 1 A 58 58 GLY H H 58 8.908 8.864 0.044 1
1 615 . 17 1 1 A 58 58 GLY HA2 H 58 4.027 3.740 0.287 1
1 616 . 17 1 1 A 58 58 GLY HA3 H 58 3.433 3.767 -0.334 1
1 617 . 17 1 1 A 58 58 GLY CA C 58 44.860 44.999 -0.139 1
1 618 . 17 1 1 A 58 58 GLY N N 58 112.351 112.142 0.209 1
1 619 . 17 1 1 A 59 59 LYS H H 59 7.214 7.124 0.090 1
1 620 . 17 1 1 A 59 59 LYS HA H 59 4.386 4.718 -0.332 1
1 629 . 17 1 1 A 59 59 LYS CA C 59 53.760 55.459 -1.699 1
1 630 . 17 1 1 A 59 59 LYS CB C 59 34.590 35.451 -0.861 1
1 634 . 17 1 1 A 59 59 LYS N N 59 121.458 120.528 0.930 1
1 635 . 17 1 1 A 60 60 GLY H H 60 8.312 8.307 0.005 1
1 636 . 17 1 1 A 60 60 GLY HA2 H 60 3.379 3.391 -0.012 1
1 637 . 17 1 1 A 60 60 GLY HA3 H 60 3.229 3.555 -0.326 1
1 638 . 17 1 1 A 60 60 GLY CA C 60 45.350 45.678 -0.328 1
1 639 . 17 1 1 A 60 60 GLY N N 60 103.990 113.492 -9.502 1
1 640 . 17 1 1 A 61 61 HIS H H 61 7.880 7.855 0.025 1
1 641 . 17 1 1 A 61 61 HIS HA H 61 4.868 5.334 -0.466 1
1 645 . 17 1 1 A 61 61 HIS CA C 61 53.920 54.566 -0.646 1
1 646 . 17 1 1 A 61 61 HIS CB C 61 33.020 34.387 -1.367 1
1 648 . 17 1 1 A 61 61 HIS N N 61 121.221 120.153 1.068 1
1 649 . 17 1 1 A 62 62 CYS H H 62 8.760 8.659 0.101 1
1 650 . 17 1 1 A 62 62 CYS HA H 62 4.248 4.921 -0.673 1
1 653 . 17 1 1 A 62 62 CYS CA C 62 61.730 57.520 4.210 1
1 654 . 17 1 1 A 62 62 CYS CB C 62 26.560 27.692 -1.132 1
1 655 . 17 1 1 A 62 62 CYS N N 62 121.842 120.695 1.147 1
1 656 . 17 1 1 A 63 63 VAL H H 63 8.109 8.350 -0.241 1
1 657 . 17 1 1 A 63 63 VAL HA H 63 4.869 4.495 0.374 1
1 665 . 17 1 1 A 63 63 VAL CA C 63 62.210 63.364 -1.154 1
1 666 . 17 1 1 A 63 63 VAL CB C 63 34.780 31.545 3.235 1
1 669 . 17 1 1 A 63 63 VAL N N 63 127.029 126.516 0.513 1
1 670 . 17 1 1 A 64 64 THR H H 64 8.453 8.649 -0.196 1
1 671 . 17 1 1 A 64 64 THR HA H 64 5.349 5.016 0.333 1
1 676 . 17 1 1 A 64 64 THR CA C 64 61.100 61.300 -0.200 1
1 677 . 17 1 1 A 64 64 THR CB C 64 70.790 70.277 0.513 1
1 679 . 17 1 1 A 64 64 THR N N 64 116.830 119.280 -2.450 1
1 680 . 17 1 1 A 65 65 GLY H H 65 8.663 8.458 0.205 1
1 681 . 17 1 1 A 65 65 GLY HA2 H 65 4.085 3.848 0.237 1
1 682 . 17 1 1 A 65 65 GLY HA3 H 65 3.480 4.188 -0.708 1
1 683 . 17 1 1 A 65 65 GLY CA C 65 46.570 45.991 0.579 1
1 684 . 17 1 1 A 65 65 GLY N N 65 107.680 108.964 -1.284 1
1 685 . 17 1 1 A 66 66 GLU H H 66 8.574 8.182 0.392 1
1 686 . 17 1 1 A 66 66 GLU HA H 66 5.150 4.878 0.272 1
1 689 . 17 1 1 A 66 66 GLU CA C 66 54.450 53.965 0.485 1
1 690 . 17 1 1 A 66 66 GLU CB C 66 37.328 33.400 3.928 1
1 691 . 17 1 1 A 66 66 GLU N N 66 120.921 117.725 3.196 1
1 692 . 17 1 1 A 67 67 ILE H H 67 8.623 8.452 0.171 1
1 693 . 17 1 1 A 67 67 ILE HA H 67 5.149 4.678 0.471 1
1 703 . 17 1 1 A 67 67 ILE CA C 67 60.180 60.224 -0.044 1
1 704 . 17 1 1 A 67 67 ILE CB C 67 40.210 38.884 1.326 1
1 708 . 17 1 1 A 67 67 ILE N N 67 121.340 122.370 -1.030 1
1 709 . 17 1 1 A 68 68 TYR H H 68 9.196 9.005 0.191 1
1 710 . 17 1 1 A 68 68 TYR HA H 68 5.001 5.130 -0.129 1
1 717 . 17 1 1 A 68 68 TYR CA C 68 56.270 57.547 -1.277 1
1 718 . 17 1 1 A 68 68 TYR CB C 68 41.480 39.100 2.380 1
1 721 . 17 1 1 A 68 68 TYR N N 68 123.650 127.812 -4.162 1
1 722 . 17 1 1 A 69 69 GLU H H 69 9.302 8.898 0.404 1
1 723 . 17 1 1 A 69 69 GLU HA H 69 5.066 4.581 0.485 1
1 728 . 17 1 1 A 69 69 GLU CA C 69 55.180 57.249 -2.069 1
1 729 . 17 1 1 A 69 69 GLU CB C 69 31.420 30.849 0.571 1
1 731 . 17 1 1 A 69 69 GLU N N 69 124.090 125.666 -1.576 1
1 732 . 17 1 1 A 70 70 VAL H H 70 8.908 8.720 0.188 1
1 733 . 17 1 1 A 70 70 VAL HA H 70 5.556 5.120 0.436 1
1 741 . 17 1 1 A 70 70 VAL CA C 70 57.780 58.774 -0.994 1
1 742 . 17 1 1 A 70 70 VAL CB C 70 35.400 35.905 -0.505 1
1 745 . 17 1 1 A 70 70 VAL N N 70 119.540 119.682 -0.142 1
1 746 . 17 1 1 A 71 71 ASP H H 71 7.939 8.144 -0.205 1
1 747 . 17 1 1 A 71 71 ASP HA H 71 4.909 4.956 -0.047 1
1 750 . 17 1 1 A 71 71 ASP CA C 71 51.240 52.091 -0.851 1
1 751 . 17 1 1 A 71 71 ASP CB C 71 42.210 41.686 0.524 1
1 752 . 17 1 1 A 71 71 ASP N N 71 120.720 122.606 -1.886 1
1 753 . 17 1 1 A 72 72 GLU H H 72 8.364 8.677 -0.313 1
1 754 . 17 1 1 A 72 72 GLU HA H 72 3.869 3.985 -0.116 1
1 757 . 17 1 1 A 72 72 GLU CA C 72 59.775 59.683 0.092 1
1 758 . 17 1 1 A 72 72 GLU CB C 72 29.140 29.327 -0.187 1
1 760 . 17 1 1 A 72 72 GLU N N 72 117.910 118.306 -0.396 1
1 761 . 17 1 1 A 73 73 GLN H H 73 7.960 8.177 -0.217 1
1 762 . 17 1 1 A 73 73 GLN HA H 73 3.899 4.095 -0.196 1
1 767 . 17 1 1 A 73 73 GLN CA C 73 59.570 58.795 0.775 1
1 768 . 17 1 1 A 73 73 GLN CB C 73 27.810 28.425 -0.615 1
1 770 . 17 1 1 A 73 73 GLN N N 73 119.617 120.500 -0.883 1
1 772 . 17 1 1 A 74 74 MET H H 74 8.489 8.107 0.382 1
1 773 . 17 1 1 A 74 74 MET HA H 74 4.766 4.381 0.385 1
1 780 . 17 1 1 A 74 74 MET CA C 74 56.790 58.500 -1.710 1
1 781 . 17 1 1 A 74 74 MET CB C 74 31.900 32.579 -0.679 1
1 784 . 17 1 1 A 74 74 MET N N 74 121.800 119.429 2.371 1
1 785 . 17 1 1 A 75 75 LEU H H 75 8.162 8.647 -0.485 1
1 786 . 17 1 1 A 75 75 LEU HA H 75 3.897 4.047 -0.150 1
1 796 . 17 1 1 A 75 75 LEU CA C 75 58.230 57.210 1.020 1
1 797 . 17 1 1 A 75 75 LEU CB C 75 42.160 41.052 1.108 1
1 801 . 17 1 1 A 75 75 LEU N N 75 120.230 120.011 0.219 1
1 802 . 17 1 1 A 76 76 ARG H H 76 7.824 7.865 -0.041 1
1 803 . 17 1 1 A 76 76 ARG HA H 76 3.952 4.043 -0.091 1
1 811 . 17 1 1 A 76 76 ARG CA C 76 59.270 59.130 0.140 1
1 812 . 17 1 1 A 76 76 ARG CB C 76 29.930 30.501 -0.571 1
1 815 . 17 1 1 A 76 76 ARG N N 76 116.540 120.009 -3.469 1
1 817 . 17 1 1 A 77 77 PHE H H 77 8.137 8.506 -0.369 1
1 818 . 17 1 1 A 77 77 PHE HA H 77 4.085 4.144 -0.059 1
1 825 . 17 1 1 A 77 77 PHE CA C 77 61.980 61.254 0.726 1
1 826 . 17 1 1 A 77 77 PHE CB C 77 38.530 39.105 -0.575 1
1 829 . 17 1 1 A 77 77 PHE N N 77 120.650 120.898 -0.248 1
1 830 . 17 1 1 A 78 78 LEU H H 78 9.071 8.815 0.256 1
1 831 . 17 1 1 A 78 78 LEU HA H 78 3.629 3.818 -0.189 1
1 841 . 17 1 1 A 78 78 LEU CA C 78 57.730 57.363 0.367 1
1 842 . 17 1 1 A 78 78 LEU CB C 78 41.420 41.157 0.263 1
1 846 . 17 1 1 A 78 78 LEU N N 78 122.360 119.286 3.074 1
1 847 . 17 1 1 A 79 79 ASP H H 79 8.506 8.022 0.484 1
1 848 . 17 1 1 A 79 79 ASP HA H 79 4.320 4.799 -0.479 1
1 851 . 17 1 1 A 79 79 ASP CA C 79 57.190 55.801 1.389 1
1 852 . 17 1 1 A 79 79 ASP CB C 79 39.420 40.707 -1.287 1
1 853 . 17 1 1 A 79 79 ASP N N 79 120.070 119.646 0.424 1
1 854 . 17 1 1 A 80 80 ASP H H 80 7.154 7.814 -0.660 1
1 855 . 17 1 1 A 80 80 ASP HA H 80 4.501 4.739 -0.238 1
1 858 . 17 1 1 A 80 80 ASP CA C 80 56.700 55.764 0.936 1
1 859 . 17 1 1 A 80 80 ASP CB C 80 40.660 41.745 -1.085 1
1 860 . 17 1 1 A 80 80 ASP N N 80 118.890 119.173 -0.283 1
1 861 . 17 1 1 A 81 81 PHE H H 81 8.791 7.801 0.990 1
1 862 . 17 1 1 A 81 81 PHE HA H 81 3.659 3.817 -0.158 1
1 867 . 17 1 1 A 81 81 PHE CA C 81 61.640 60.990 0.650 1
1 868 . 17 1 1 A 81 81 PHE CB C 81 40.210 38.552 1.658 1
1 870 . 17 1 1 A 81 81 PHE N N 81 125.745 120.383 5.362 1
1 871 . 17 1 1 A 82 82 GLU H H 82 8.209 7.628 0.581 1
1 872 . 17 1 1 A 82 82 GLU HA H 82 3.956 3.961 -0.005 1
1 875 . 17 1 1 A 82 82 GLU CA C 82 55.060 55.853 -0.793 1
1 876 . 17 1 1 A 82 82 GLU CB C 82 28.910 28.813 0.097 1
1 878 . 17 1 1 A 82 82 GLU N N 82 115.707 117.113 -1.406 1
1 879 . 17 1 1 A 83 83 ASP H H 83 7.615 7.824 -0.209 1
1 880 . 17 1 1 A 83 83 ASP HA H 83 4.236 4.177 0.059 1
1 883 . 17 1 1 A 83 83 ASP CA C 83 54.370 55.570 -1.200 1
1 884 . 17 1 1 A 83 83 ASP CB C 83 39.400 40.387 -0.987 1
1 885 . 17 1 1 A 83 83 ASP N N 83 116.517 118.373 -1.856 1
1 886 . 17 1 1 A 84 84 CYS H H 84 8.361 7.853 0.508 1
1 887 . 17 1 1 A 84 84 CYS HA H 84 5.522 4.596 0.926 1
1 890 . 17 1 1 A 84 84 CYS CA C 84 56.617 57.793 -1.176 1
1 891 . 17 1 1 A 84 84 CYS CB C 84 27.651 27.225 0.426 1
1 892 . 17 1 1 A 84 84 CYS N N 84 119.420 119.471 -0.051 1
1 893 . 17 1 1 A 85 85 PRO HA H 85 5.704 4.700 1.004 1
1 900 . 17 1 1 A 85 85 PRO CA C 85 64.355 64.071 0.284 1
1 901 . 17 1 1 A 85 85 PRO CB C 85 33.190 32.345 0.845 1
1 904 . 17 1 1 A 86 86 SER H H 86 8.389 7.904 0.485 1
1 905 . 17 1 1 A 86 86 SER HA H 86 4.175 4.165 0.010 1
1 907 . 17 1 1 A 86 86 SER CA C 86 62.130 61.743 0.387 1
1 908 . 17 1 1 A 86 86 SER CB C 86 63.080 62.826 0.254 1
1 909 . 17 1 1 A 86 86 SER N N 86 122.195 114.290 7.905 1
1 910 . 17 1 1 A 87 87 MET H H 87 8.576 8.336 0.240 1
1 911 . 17 1 1 A 87 87 MET HA H 87 4.475 4.262 0.213 1
1 918 . 17 1 1 A 87 87 MET CA C 87 57.520 58.501 -0.981 1
1 919 . 17 1 1 A 87 87 MET CB C 87 33.210 33.571 -0.361 1
1 922 . 17 1 1 A 87 87 MET N N 87 121.299 119.976 1.323 1
1 923 . 17 1 1 A 88 88 TYR H H 88 6.778 7.954 -1.176 1
1 924 . 17 1 1 A 88 88 TYR HA H 88 5.023 5.113 -0.090 1
1 931 . 17 1 1 A 88 88 TYR CA C 88 56.300 57.373 -1.073 1
1 932 . 17 1 1 A 88 88 TYR CB C 88 42.530 40.822 1.708 1
1 935 . 17 1 1 A 88 88 TYR N N 88 113.420 115.466 -2.046 1
1 936 . 17 1 1 A 89 89 GLN H H 89 9.567 9.160 0.407 1
1 937 . 17 1 1 A 89 89 GLN HA H 89 4.857 4.772 0.085 1
1 944 . 17 1 1 A 89 89 GLN CA C 89 55.870 55.380 0.490 1
1 945 . 17 1 1 A 89 89 GLN CB C 89 30.430 30.637 -0.207 1
1 947 . 17 1 1 A 89 89 GLN N N 89 115.440 119.538 -4.098 1
1 949 . 17 1 1 A 90 90 ARG H H 90 8.772 7.768 1.004 1
1 950 . 17 1 1 A 90 90 ARG HA H 90 4.499 4.240 0.259 1
1 958 . 17 1 1 A 90 90 ARG CA C 90 56.620 56.942 -0.322 1
1 959 . 17 1 1 A 90 90 ARG CB C 90 29.020 29.392 -0.372 1
1 962 . 17 1 1 A 90 90 ARG N N 90 123.860 119.830 4.030 1
1 964 . 17 1 1 A 91 91 THR H H 91 9.217 9.035 0.182 1
1 965 . 17 1 1 A 91 91 THR HA H 91 4.518 4.840 -0.322 1
1 970 . 17 1 1 A 91 91 THR CA C 91 60.570 60.849 -0.279 1
1 971 . 17 1 1 A 91 91 THR CB C 91 71.050 73.350 -2.300 1
1 973 . 17 1 1 A 91 91 THR N N 91 125.064 118.990 6.074 1
1 974 . 17 1 1 A 92 92 ALA H H 92 8.655 8.701 -0.046 1
1 975 . 17 1 1 A 92 92 ALA HA H 92 5.041 5.406 -0.365 1
1 979 . 17 1 1 A 92 92 ALA CA C 92 51.320 49.819 1.501 1
1 980 . 17 1 1 A 92 92 ALA CB C 92 19.480 22.499 -3.019 1
1 981 . 17 1 1 A 92 92 ALA N N 92 126.963 123.961 3.002 1
1 982 . 17 1 1 A 93 93 LEU H H 93 9.005 8.767 0.238 1
1 983 . 17 1 1 A 93 93 LEU HA H 93 4.720 5.381 -0.661 1
1 993 . 17 1 1 A 93 93 LEU CA C 93 53.750 53.023 0.727 1
1 994 . 17 1 1 A 93 93 LEU CB C 93 45.340 46.713 -1.373 1
1 998 . 17 1 1 A 93 93 LEU N N 93 122.440 117.607 4.833 1
1 999 . 17 1 1 A 94 94 GLN H H 94 8.360 8.777 -0.417 1
1 1000 . 17 1 1 A 94 94 GLN HA H 94 4.229 5.305 -1.076 1
1 1005 . 17 1 1 A 94 94 GLN CA C 94 56.040 54.261 1.779 1
1 1006 . 17 1 1 A 94 94 GLN CB C 94 28.780 31.605 -2.825 1
1 1008 . 17 1 1 A 94 94 GLN N N 94 119.357 119.242 0.115 1
1 1010 . 17 1 1 A 95 95 VAL H H 95 8.612 9.034 -0.422 1
1 1011 . 17 1 1 A 95 95 VAL HA H 95 4.013 4.671 -0.658 1
1 1019 . 17 1 1 A 95 95 VAL CA C 95 61.440 59.886 1.554 1
1 1020 . 17 1 1 A 95 95 VAL CB C 95 35.110 35.162 -0.052 1
1 1023 . 17 1 1 A 95 95 VAL N N 95 126.928 125.569 1.359 1
1 1024 . 17 1 1 A 96 96 GLN H H 96 9.222 8.851 0.371 1
1 1025 . 17 1 1 A 96 96 GLN HA H 96 4.279 4.773 -0.494 1
1 1032 . 17 1 1 A 96 96 GLN CA C 96 55.150 56.364 -1.214 1
1 1033 . 17 1 1 A 96 96 GLN CB C 96 29.100 29.169 -0.069 1
1 1035 . 17 1 1 A 96 96 GLN N N 96 128.360 129.543 -1.183 1
1 1037 . 17 1 1 A 97 97 VAL H H 97 8.233 8.692 -0.459 1
1 1038 . 17 1 1 A 97 97 VAL HA H 97 3.674 4.368 -0.694 1
1 1046 . 17 1 1 A 97 97 VAL CA C 97 64.040 61.653 2.387 1
1 1047 . 17 1 1 A 97 97 VAL CB C 97 31.920 30.683 1.237 1
1 1050 . 17 1 1 A 97 97 VAL N N 97 128.120 126.801 1.319 1
1 1051 . 17 1 1 A 98 98 LEU H H 98 8.880 8.473 0.407 1
1 1052 . 17 1 1 A 98 98 LEU HA H 98 4.472 4.119 0.353 1
1 1059 . 17 1 1 A 98 98 LEU CA C 98 55.641 56.918 -1.277 1
1 1060 . 17 1 1 A 98 98 LEU CB C 98 42.510 42.153 0.357 1
1 1063 . 17 1 1 A 98 98 LEU N N 98 128.877 130.788 -1.911 1
1 1064 . 17 1 1 A 99 99 GLU H H 99 7.682 7.571 0.111 1
1 1065 . 17 1 1 A 99 99 GLU HA H 99 4.403 4.815 -0.412 1
1 1070 . 17 1 1 A 99 99 GLU CA C 99 56.310 55.903 0.407 1
1 1071 . 17 1 1 A 99 99 GLU CB C 99 32.790 33.458 -0.668 1
1 1073 . 17 1 1 A 99 99 GLU N N 99 118.210 115.373 2.837 1
1 1074 . 17 1 1 A 100 100 TRP H H 100 8.883 8.840 0.043 1
1 1075 . 17 1 1 A 100 100 TRP HA H 100 5.205 5.293 -0.088 1
1 1084 . 17 1 1 A 100 100 TRP CA C 100 55.982 56.572 -0.590 1
1 1085 . 17 1 1 A 100 100 TRP CB C 100 32.430 33.156 -0.726 1
1 1091 . 17 1 1 A 100 100 TRP N N 100 126.421 127.436 -1.015 1
1 1093 . 17 1 1 A 101 101 GLU H H 101 8.116 8.340 -0.224 1
1 1094 . 17 1 1 A 101 101 GLU HA H 101 4.462 4.592 -0.130 1
1 1098 . 17 1 1 A 101 101 GLU CA C 101 55.050 55.170 -0.120 1
1 1099 . 17 1 1 A 101 101 GLU CB C 101 30.950 30.659 0.291 1
1 1101 . 17 1 1 A 101 101 GLU N N 101 128.535 126.119 2.416 1
1 1102 . 17 1 1 A 102 102 GLY H H 102 7.614 8.129 -0.515 1
1 1103 . 17 1 1 A 102 102 GLY HA2 H 102 3.853 4.015 -0.162 1
1 1104 . 17 1 1 A 102 102 GLY HA3 H 102 3.905 4.074 -0.169 1
1 1105 . 17 1 1 A 102 102 GLY CA C 102 44.440 43.913 0.527 1
1 1106 . 17 1 1 A 102 102 GLY N N 102 108.953 113.368 -4.415 1
1 1107 . 17 1 1 A 103 103 ASP H H 103 8.261 8.468 -0.207 1
1 1108 . 17 1 1 A 103 103 ASP HA H 103 4.641 4.693 -0.052 1
1 1111 . 17 1 1 A 103 103 ASP CA C 103 54.530 54.848 -0.318 1
1 1112 . 17 1 1 A 103 103 ASP CB C 103 41.690 41.591 0.099 1
1 1113 . 17 1 1 A 103 103 ASP N N 103 118.730 121.042 -2.312 1
1 1114 . 17 1 1 A 104 104 GLY H H 104 8.526 9.072 -0.546 1
1 1115 . 17 1 1 A 104 104 GLY HA2 H 104 3.719 4.085 -0.366 1
1 1116 . 17 1 1 A 104 104 GLY HA3 H 104 3.892 4.266 -0.374 1
1 1117 . 17 1 1 A 104 104 GLY CA C 104 45.960 46.760 -0.800 1
1 1118 . 17 1 1 A 104 104 GLY N N 104 109.230 113.625 -4.395 1
1 1119 . 17 1 1 A 105 105 ASP H H 105 7.806 8.130 -0.324 1
1 1120 . 17 1 1 A 105 105 ASP HA H 105 3.381 4.207 -0.826 1
1 1123 . 17 1 1 A 105 105 ASP CA C 105 51.020 50.505 0.515 1
1 1124 . 17 1 1 A 105 105 ASP CB C 105 41.406 40.638 0.768 1
1 1125 . 17 1 1 A 105 105 ASP N N 105 119.739 120.949 -1.210 1
1 1126 . 17 1 1 A 106 106 PRO HA H 106 4.065 4.286 -0.221 1
1 1133 . 17 1 1 A 106 106 PRO CA C 106 62.970 63.882 -0.912 1
1 1134 . 17 1 1 A 106 106 PRO CB C 106 31.660 31.865 -0.205 1
1 1137 . 17 1 1 A 107 107 GLY H H 107 7.863 7.426 0.437 1
1 1138 . 17 1 1 A 107 107 GLY HA2 H 107 3.401 3.981 -0.580 1
1 1139 . 17 1 1 A 107 107 GLY HA3 H 107 4.103 3.985 0.118 1
1 1140 . 17 1 1 A 107 107 GLY CA C 107 44.170 45.528 -1.358 1
1 1141 . 17 1 1 A 107 107 GLY N N 107 109.610 108.297 1.313 1
1 1142 . 17 1 1 A 108 108 ASP H H 108 8.171 8.565 -0.394 1
1 1143 . 17 1 1 A 108 108 ASP HA H 108 4.283 4.710 -0.427 1
1 1145 . 17 1 1 A 108 108 ASP CA C 108 56.430 53.614 2.816 1
1 1146 . 17 1 1 A 108 108 ASP CB C 108 41.490 42.401 -0.911 1
1 1147 . 17 1 1 A 108 108 ASP N N 108 119.264 125.346 -6.082 1
1 1148 . 17 1 1 A 109 109 SER H H 109 7.560 7.795 -0.235 1
1 1149 . 17 1 1 A 109 109 SER HA H 109 5.188 5.405 -0.217 1
1 1152 . 17 1 1 A 109 109 SER CA C 109 56.740 57.148 -0.408 1
1 1153 . 17 1 1 A 109 109 SER CB C 109 65.780 66.141 -0.361 1
1 1154 . 17 1 1 A 109 109 SER N N 109 110.810 112.746 -1.936 1
1 1155 . 17 1 1 A 110 110 VAL H H 110 8.932 9.149 -0.217 1
1 1156 . 17 1 1 A 110 110 VAL HA H 110 4.262 4.888 -0.626 1
1 1164 . 17 1 1 A 110 110 VAL CA C 110 59.470 58.799 0.671 1
1 1165 . 17 1 1 A 110 110 VAL CB C 110 35.400 35.308 0.092 1
1 1168 . 17 1 1 A 110 110 VAL N N 110 118.530 115.724 2.806 1
1 1169 . 17 1 1 A 111 111 GLN H H 111 8.468 8.696 -0.228 1
1 1170 . 17 1 1 A 111 111 GLN HA H 111 4.422 4.936 -0.514 1
1 1177 . 17 1 1 A 111 111 GLN CA C 111 55.960 54.406 1.554 1
1 1178 . 17 1 1 A 111 111 GLN CB C 111 29.470 29.851 -0.381 1
1 1180 . 17 1 1 A 111 111 GLN N N 111 127.378 121.812 5.566 1
1 1182 . 17 1 1 A 112 112 CYS H H 112 8.785 8.686 0.099 1
1 1183 . 17 1 1 A 112 112 CYS HA H 112 4.782 5.149 -0.367 1
1 1186 . 17 1 1 A 112 112 CYS CA C 112 57.100 56.864 0.236 1
1 1187 . 17 1 1 A 112 112 CYS CB C 112 33.700 29.466 4.234 1
1 1188 . 17 1 1 A 112 112 CYS N N 112 122.300 124.773 -2.473 1
1 1189 . 17 1 1 A 113 113 PHE H H 113 8.838 8.598 0.240 1
1 1190 . 17 1 1 A 113 113 PHE HA H 113 5.154 5.662 -0.508 1
1 1197 . 17 1 1 A 113 113 PHE CA C 113 58.650 56.597 2.053 1
1 1198 . 17 1 1 A 113 113 PHE CB C 113 40.210 42.962 -2.752 1
1 1201 . 17 1 1 A 113 113 PHE N N 113 118.974 117.758 1.216 1
1 1202 . 17 1 1 A 114 114 VAL H H 114 9.079 8.623 0.456 1
1 1203 . 17 1 1 A 114 114 VAL HA H 114 4.472 4.678 -0.206 1
1 1211 . 17 1 1 A 114 114 VAL CA C 114 60.650 60.859 -0.209 1
1 1212 . 17 1 1 A 114 114 VAL CB C 114 35.970 35.976 -0.006 1
1 1215 . 17 1 1 A 114 114 VAL N N 114 121.660 120.751 0.909 1
1 1216 . 17 1 1 A 115 115 TYR H H 115 9.672 8.919 0.753 1
1 1217 . 17 1 1 A 115 115 TYR HA H 115 4.988 4.639 0.349 1
1 1224 . 17 1 1 A 115 115 TYR CA C 115 59.240 56.889 2.351 1
1 1225 . 17 1 1 A 115 115 TYR CB C 115 36.925 36.477 0.448 1
1 1228 . 17 1 1 A 115 115 TYR N N 115 127.830 126.909 0.921 1
1 1229 . 17 1 1 A 116 116 THR H H 116 9.061 8.233 0.828 1
1 1230 . 17 1 1 A 116 116 THR HA H 116 5.435 5.098 0.337 1
1 1235 . 17 1 1 A 116 116 THR CA C 116 60.130 61.619 -1.489 1
1 1236 . 17 1 1 A 116 116 THR CB C 116 71.910 71.230 0.680 1
1 1238 . 17 1 1 A 116 116 THR N N 116 119.130 115.765 3.365 1
1 1239 . 17 1 1 A 117 117 THR H H 117 8.707 8.372 0.335 1
1 1240 . 17 1 1 A 117 117 THR HA H 117 5.561 5.057 0.504 1
1 1245 . 17 1 1 A 117 117 THR CA C 117 60.160 60.490 -0.330 1
1 1246 . 17 1 1 A 117 117 THR CB C 117 70.170 71.624 -1.454 1
1 1248 . 17 1 1 A 117 117 THR N N 117 111.190 114.814 -3.624 1
1 1249 . 17 1 1 A 118 118 ALA H H 118 9.257 8.781 0.476 1
1 1250 . 17 1 1 A 118 118 ALA HA H 118 5.033 4.612 0.421 1
1 1254 . 17 1 1 A 118 118 ALA CA C 118 51.550 53.031 -1.481 1
1 1255 . 17 1 1 A 118 118 ALA CB C 118 20.050 19.586 0.464 1
1 1256 . 17 1 1 A 118 118 ALA N N 118 132.010 129.822 2.188 1
1 1257 . 17 1 1 A 119 119 THR H H 119 8.628 7.388 1.240 1
1 1258 . 17 1 1 A 119 119 THR HA H 119 4.143 4.256 -0.113 1
1 1263 . 17 1 1 A 119 119 THR CA C 119 60.090 60.806 -0.716 1
1 1264 . 17 1 1 A 119 119 THR CB C 119 68.056 69.227 -1.171 1
1 1266 . 17 1 1 A 119 119 THR N N 119 114.350 112.686 1.664 1
1 1267 . 17 1 1 A 120 120 TYR H H 120 6.281 7.216 -0.935 1
1 1268 . 17 1 1 A 120 120 TYR HA H 120 3.594 4.130 -0.536 1
1 1273 . 17 1 1 A 120 120 TYR CA C 120 53.530 57.692 -4.162 1
1 1274 . 17 1 1 A 120 120 TYR CB C 120 40.072 39.523 0.549 1
1 1276 . 17 1 1 A 120 120 TYR N N 120 117.205 120.422 -3.217 1
1 1277 . 17 1 1 A 121 121 ALA HA H 121 5.030 4.499 0.531 1
1 1278 . 17 1 1 A 121 121 ALA CA C 121 51.536 49.286 2.250 1
1 1279 . 17 1 1 A 122 122 PRO HA H 122 4.059 4.229 -0.170 1
1 1285 . 17 1 1 A 122 122 PRO CA C 122 65.435 64.791 0.644 1
1 1286 . 17 1 1 A 122 122 PRO CB C 122 31.680 31.941 -0.261 1
1 1289 . 17 1 1 A 123 123 GLU H H 123 9.336 8.889 0.447 1
1 1290 . 17 1 1 A 123 123 GLU HA H 123 4.169 3.590 0.579 1
1 1294 . 17 1 1 A 123 123 GLU CA C 123 59.100 57.830 1.270 1
1 1295 . 17 1 1 A 123 123 GLU CB C 123 27.940 28.020 -0.080 1
1 1297 . 17 1 1 A 123 123 GLU N N 123 115.528 115.463 0.065 1
1 1298 . 17 1 1 A 124 124 TRP H H 124 8.560 7.514 1.046 1
1 1299 . 17 1 1 A 124 124 TRP HA H 124 4.671 4.588 0.083 1
1 1308 . 17 1 1 A 124 124 TRP CA C 124 57.370 58.620 -1.250 1
1 1309 . 17 1 1 A 124 124 TRP CB C 124 28.310 30.759 -2.449 1
1 1315 . 17 1 1 A 124 124 TRP N N 124 123.431 119.641 3.790 1
1 1317 . 17 1 1 A 125 125 LEU H H 125 7.378 8.028 -0.650 1
1 1318 . 17 1 1 A 125 125 LEU HA H 125 4.065 4.230 -0.165 1
1 1328 . 17 1 1 A 125 125 LEU CA C 125 56.060 57.281 -1.221 1
1 1329 . 17 1 1 A 125 125 LEU CB C 125 41.220 41.742 -0.522 1
1 1333 . 17 1 1 A 125 125 LEU N N 125 113.660 121.206 -7.546 1
1 1334 . 17 1 1 A 126 126 PHE H H 126 7.415 6.878 0.537 1
1 1335 . 17 1 1 A 126 126 PHE HA H 126 4.640 4.317 0.323 1
1 1342 . 17 1 1 A 126 126 PHE CA C 126 56.940 60.464 -3.524 1
1 1343 . 17 1 1 A 126 126 PHE CB C 126 38.670 39.307 -0.637 1
1 1346 . 17 1 1 A 126 126 PHE N N 126 116.360 116.235 0.125 1
1 1347 . 17 1 1 A 127 127 LEU H H 127 7.168 7.486 -0.318 1
1 1348 . 17 1 1 A 127 127 LEU HA H 127 4.529 4.405 0.124 1
1 1358 . 17 1 1 A 127 127 LEU CA C 127 53.580 53.724 -0.144 1
1 1359 . 17 1 1 A 127 127 LEU CB C 127 40.832 41.057 -0.225 1
1 1363 . 17 1 1 A 127 127 LEU N N 127 122.990 120.819 2.171 1
1 1364 . 17 1 1 A 128 128 PRO HA H 128 3.986 4.368 -0.382 1
1 1371 . 17 1 1 A 128 128 PRO CA C 128 63.140 62.205 0.935 1
1 1372 . 17 1 1 A 128 128 PRO CB C 128 31.993 32.614 -0.621 1
1 1375 . 17 1 1 A 129 129 TYR H H 129 8.070 8.085 -0.015 1
1 1376 . 17 1 1 A 129 129 TYR HA H 129 5.529 5.250 0.279 1
1 1383 . 17 1 1 A 129 129 TYR CA C 129 52.486 57.651 -5.165 1
1 1384 . 17 1 1 A 129 129 TYR CB C 129 36.760 40.075 -3.315 1
1 1387 . 17 1 1 A 129 129 TYR N N 129 120.100 121.183 -1.083 1
1 1388 . 17 1 1 A 130 130 HIS H H 130 9.193 8.593 0.600 1
1 1389 . 17 1 1 A 130 130 HIS HA H 130 4.733 5.182 -0.449 1
1 1393 . 17 1 1 A 130 130 HIS CA C 130 55.920 55.046 0.874 1
1 1394 . 17 1 1 A 130 130 HIS CB C 130 32.908 34.722 -1.814 1
1 1396 . 17 1 1 A 130 130 HIS N N 130 121.985 118.852 3.133 1
1 1397 . 17 1 1 A 131 131 GLU H H 131 9.093 9.178 -0.085 1
1 1398 . 17 1 1 A 131 131 GLU HA H 131 4.277 4.608 -0.331 1
1 1402 . 17 1 1 A 131 131 GLU CA C 131 58.110 56.953 1.157 1
1 1403 . 17 1 1 A 131 131 GLU CB C 131 30.700 32.625 -1.925 1
1 1405 . 17 1 1 A 131 131 GLU N N 131 122.150 121.925 0.225 1
1 1406 . 17 1 1 A 132 132 SER H H 132 7.621 7.861 -0.240 1
1 1407 . 17 1 1 A 132 132 SER HA H 132 4.686 4.918 -0.232 1
1 1410 . 17 1 1 A 132 132 SER CA C 132 56.340 57.353 -1.013 1
1 1411 . 17 1 1 A 132 132 SER CB C 132 65.050 65.574 -0.524 1
1 1412 . 17 1 1 A 132 132 SER N N 132 108.030 113.420 -5.390 1
1 1413 . 17 1 1 A 133 133 TYR H H 133 8.667 8.806 -0.139 1
1 1414 . 17 1 1 A 133 133 TYR HA H 133 4.564 4.728 -0.164 1
1 1419 . 17 1 1 A 133 133 TYR CA C 133 57.910 58.639 -0.729 1
1 1420 . 17 1 1 A 133 133 TYR CB C 133 40.720 39.177 1.543 1
1 1422 . 17 1 1 A 133 133 TYR N N 133 121.977 127.280 -5.303 1
1 1423 . 17 1 1 A 134 134 ASP H H 134 7.303 8.365 -1.062 1
1 1424 . 17 1 1 A 134 134 ASP HA H 134 3.944 4.620 -0.676 1
1 1427 . 17 1 1 A 134 134 ASP CA C 134 52.540 53.557 -1.017 1
1 1428 . 17 1 1 A 134 134 ASP CB C 134 42.900 44.776 -1.876 1
1 1429 . 17 1 1 A 134 134 ASP N N 134 127.820 125.339 2.481 1
1 1430 . 17 1 1 A 135 135 SER H H 135 9.392 8.964 0.428 1
1 1431 . 17 1 1 A 135 135 SER HA H 135 3.945 4.010 -0.065 1
1 1434 . 17 1 1 A 135 135 SER CA C 135 61.770 61.030 0.740 1
1 1435 . 17 1 1 A 135 135 SER CB C 135 63.561 62.421 1.140 1
1 1436 . 17 1 1 A 135 135 SER N N 135 127.670 117.868 9.802 1
1 1437 . 17 1 1 A 136 136 GLU H H 136 7.546 7.724 -0.178 1
1 1438 . 17 1 1 A 136 136 GLU HA H 136 4.233 4.446 -0.213 1
1 1443 . 17 1 1 A 136 136 GLU CA C 136 54.796 56.093 -1.297 1
1 1444 . 17 1 1 A 136 136 GLU CB C 136 28.420 27.985 0.435 1
1 1446 . 17 1 1 A 136 136 GLU N N 136 113.107 118.486 -5.379 1
1 1447 . 17 1 1 A 137 137 GLY H H 137 7.241 8.336 -1.095 1
1 1448 . 17 1 1 A 137 137 GLY HA2 H 137 3.994 4.363 -0.369 1
1 1449 . 17 1 1 A 137 137 GLY HA3 H 137 3.503 4.369 -0.866 1
1 1450 . 17 1 1 A 137 137 GLY CA C 137 44.880 43.886 0.994 1
1 1451 . 17 1 1 A 137 137 GLY N N 137 104.690 110.063 -5.373 1
1 1452 . 17 1 1 A 138 138 PRO HA H 138 4.211 4.413 -0.202 1
1 1459 . 17 1 1 A 138 138 PRO CA C 138 64.830 64.252 0.578 1
1 1460 . 17 1 1 A 138 138 PRO CB C 138 31.180 31.853 -0.673 1
1 1463 . 17 1 1 A 139 139 HIS H H 139 6.414 7.922 -1.508 1
1 1464 . 17 1 1 A 139 139 HIS HA H 139 4.299 4.545 -0.246 1
1 1467 . 17 1 1 A 139 139 HIS CA C 139 55.080 56.483 -1.403 1
1 1468 . 17 1 1 A 139 139 HIS CB C 139 30.260 30.002 0.258 1
1 1470 . 17 1 1 A 139 139 HIS N N 139 116.498 115.249 1.249 1
1 1471 . 17 1 1 A 140 140 GLY H H 140 7.082 7.705 -0.623 1
1 1472 . 17 1 1 A 140 140 GLY HA2 H 140 3.919 3.912 0.007 1
1 1473 . 17 1 1 A 140 140 GLY HA3 H 140 3.721 3.924 -0.203 1
1 1474 . 17 1 1 A 140 140 GLY CA C 140 46.590 45.801 0.789 1
1 1475 . 17 1 1 A 140 140 GLY N N 140 108.485 107.680 0.805 1
1 1476 . 17 1 1 A 141 141 LEU HA H 141 4.451 4.410 0.041 1
1 1483 . 17 1 1 A 141 141 LEU CA C 141 53.024 54.556 -1.532 1
1 1484 . 17 1 1 A 141 141 LEU CB C 141 39.500 41.351 -1.851 1
1 1487 . 17 1 1 A 142 142 ARG H H 142 7.472 8.138 -0.666 1
1 1488 . 17 1 1 A 142 142 ARG HA H 142 4.724 5.102 -0.378 1
1 1493 . 17 1 1 A 142 142 ARG CA C 142 55.940 53.978 1.962 1
1 1494 . 17 1 1 A 142 142 ARG CB C 142 31.070 34.579 -3.509 1
1 1497 . 17 1 1 A 142 142 ARG N N 142 121.987 123.735 -1.748 1
1 1499 . 17 1 1 A 143 143 TYR H H 143 8.487 8.935 -0.448 1
1 1500 . 17 1 1 A 143 143 TYR HA H 143 4.474 4.813 -0.339 1
1 1507 . 17 1 1 A 143 143 TYR CA C 143 59.015 59.617 -0.602 1
1 1508 . 17 1 1 A 143 143 TYR CB C 143 38.720 39.325 -0.605 1
1 1511 . 17 1 1 A 143 143 TYR N N 143 127.896 122.749 5.147 1
1 1512 . 17 1 1 A 144 144 ASN H H 144 7.805 7.631 0.174 1
1 1513 . 17 1 1 A 144 144 ASN HA H 144 4.892 5.357 -0.465 1
1 1518 . 17 1 1 A 144 144 ASN CA C 144 50.120 50.322 -0.202 1
1 1519 . 17 1 1 A 144 144 ASN CB C 144 39.360 39.486 -0.126 1
1 1520 . 17 1 1 A 144 144 ASN N N 144 125.629 126.549 -0.920 1
1 1522 . 17 1 1 A 145 145 PRO HA H 145 3.975 4.333 -0.358 1
1 1528 . 17 1 1 A 145 145 PRO CA C 145 63.140 63.846 -0.706 1
1 1529 . 17 1 1 A 145 145 PRO CB C 145 32.386 31.815 0.571 1
1 1532 . 17 1 1 A 146 146 ARG H H 146 8.055 7.824 0.231 1
1 1533 . 17 1 1 A 146 146 ARG HA H 146 3.918 4.573 -0.655 1
1 1541 . 17 1 1 A 146 146 ARG CA C 146 56.740 55.773 0.967 1
1 1542 . 17 1 1 A 146 146 ARG CB C 146 30.430 32.802 -2.372 1
1 1545 . 17 1 1 A 146 146 ARG N N 146 120.069 118.922 1.147 1
1 1547 . 17 1 1 A 147 147 GLU H H 147 8.440 8.373 0.067 1
1 1548 . 17 1 1 A 147 147 GLU HA H 147 4.167 4.122 0.045 1
1 1552 . 17 1 1 A 147 147 GLU CA C 147 56.710 58.902 -2.192 1
1 1553 . 17 1 1 A 147 147 GLU CB C 147 30.150 29.126 1.024 1
1 1555 . 17 1 1 A 147 147 GLU N N 147 120.760 118.252 2.508 1
1 1556 . 17 1 1 A 148 148 ASN H H 148 8.363 7.998 0.365 1
1 1557 . 17 1 1 A 148 148 ASN HA H 148 4.652 5.005 -0.353 1
1 1562 . 17 1 1 A 148 148 ASN CA C 148 53.240 51.961 1.279 1
1 1563 . 17 1 1 A 148 148 ASN CB C 148 38.840 39.003 -0.163 1
1 1564 . 17 1 1 A 148 148 ASN N N 148 120.210 118.086 2.124 1
1 1 . 18 1 1 A 2 2 ALA HA H 2 4.182 4.983 -0.801 1
1 5 . 18 1 1 A 2 2 ALA CA C 2 51.510 51.432 0.078 1
1 6 . 18 1 1 A 2 2 ALA CB C 2 20.090 23.742 -3.652 1
1 7 . 18 1 1 A 3 3 HIS H H 3 9.173 8.508 0.665 1
1 8 . 18 1 1 A 3 3 HIS HA H 3 5.839 5.387 0.452 1
1 12 . 18 1 1 A 3 3 HIS CA C 3 56.960 54.507 2.453 1
1 13 . 18 1 1 A 3 3 HIS CB C 3 32.820 34.374 -1.554 1
1 15 . 18 1 1 A 3 3 HIS N N 3 118.801 114.357 4.444 1
1 16 . 18 1 1 A 4 4 ILE H H 4 9.494 8.760 0.734 1
1 17 . 18 1 1 A 4 4 ILE HA H 4 5.508 5.215 0.293 1
1 27 . 18 1 1 A 4 4 ILE CA C 4 58.300 59.209 -0.909 1
1 28 . 18 1 1 A 4 4 ILE CB C 4 41.930 42.542 -0.612 1
1 32 . 18 1 1 A 4 4 ILE N N 4 118.202 116.039 2.163 1
1 33 . 18 1 1 A 5 5 PHE H H 5 8.815 8.363 0.452 1
1 34 . 18 1 1 A 5 5 PHE HA H 5 5.789 5.260 0.529 1
1 42 . 18 1 1 A 5 5 PHE CA C 5 55.153 55.560 -0.407 1
1 43 . 18 1 1 A 5 5 PHE CB C 5 40.740 41.991 -1.251 1
1 47 . 18 1 1 A 5 5 PHE N N 5 126.107 124.181 1.926 1
1 48 . 18 1 1 A 6 6 VAL H H 6 9.078 7.799 1.279 1
1 49 . 18 1 1 A 6 6 VAL HA H 6 4.357 4.237 0.120 1
1 57 . 18 1 1 A 6 6 VAL CA C 6 59.157 60.972 -1.815 1
1 58 . 18 1 1 A 6 6 VAL CB C 6 33.473 32.963 0.510 1
1 61 . 18 1 1 A 6 6 VAL N N 6 118.658 120.563 -1.905 1
1 62 . 18 1 1 A 7 7 TYR H H 7 6.878 8.599 -1.721 1
1 63 . 18 1 1 A 7 7 TYR HA H 7 4.170 4.379 -0.209 1
1 66 . 18 1 1 A 7 7 TYR CB C 7 36.608 38.467 -1.859 1
1 67 . 18 1 1 A 7 7 TYR N N 7 116.860 125.016 -8.156 1
1 68 . 18 1 1 A 8 8 GLY HA2 H 8 4.195 4.095 0.100 1
1 69 . 18 1 1 A 8 8 GLY HA3 H 8 2.933 4.270 -1.337 1
1 70 . 18 1 1 A 8 8 GLY CA C 8 46.169 45.610 0.559 1
1 71 . 18 1 1 A 9 9 THR H H 9 7.618 8.520 -0.902 1
1 72 . 18 1 1 A 9 9 THR HA H 9 3.831 4.235 -0.404 1
1 77 . 18 1 1 A 9 9 THR CA C 9 64.570 64.845 -0.275 1
1 78 . 18 1 1 A 9 9 THR CB C 9 68.494 68.776 -0.282 1
1 80 . 18 1 1 A 9 9 THR N N 9 115.934 113.705 2.229 1
1 81 . 18 1 1 A 10 10 LEU H H 10 7.561 7.520 0.041 1
1 82 . 18 1 1 A 10 10 LEU HA H 10 3.673 4.184 -0.511 1
1 92 . 18 1 1 A 10 10 LEU CA C 10 55.950 53.210 2.740 1
1 93 . 18 1 1 A 10 10 LEU CB C 10 41.610 42.018 -0.408 1
1 97 . 18 1 1 A 10 10 LEU N N 10 120.151 119.676 0.475 1
1 98 . 18 1 1 A 11 11 LYS H H 11 6.738 7.884 -1.146 1
1 99 . 18 1 1 A 11 11 LYS HA H 11 4.007 4.721 -0.714 1
1 103 . 18 1 1 A 11 11 LYS CA C 11 57.390 57.727 -0.337 1
1 104 . 18 1 1 A 11 11 LYS CB C 11 34.322 35.352 -1.030 1
1 106 . 18 1 1 A 11 11 LYS N N 11 116.295 123.160 -6.865 1
1 107 . 18 1 1 A 12 12 ARG H H 12 9.432 8.449 0.983 1
1 108 . 18 1 1 A 12 12 ARG HA H 12 2.029 4.414 -2.385 1
1 115 . 18 1 1 A 12 12 ARG CA C 12 58.420 58.120 0.300 1
1 116 . 18 1 1 A 12 12 ARG CB C 12 29.190 30.728 -1.538 1
1 119 . 18 1 1 A 12 12 ARG N N 12 120.863 119.132 1.731 1
1 120 . 18 1 1 A 13 13 GLY H H 13 8.048 7.448 0.600 1
1 121 . 18 1 1 A 13 13 GLY HA2 H 13 3.990 4.081 -0.091 1
1 122 . 18 1 1 A 13 13 GLY HA3 H 13 3.538 4.096 -0.558 1
1 123 . 18 1 1 A 13 13 GLY CA C 13 45.490 45.750 -0.260 1
1 124 . 18 1 1 A 13 13 GLY N N 13 111.120 104.463 6.657 1
1 125 . 18 1 1 A 14 14 GLN H H 14 7.904 7.735 0.169 1
1 126 . 18 1 1 A 14 14 GLN HA H 14 4.682 4.489 0.193 1
1 133 . 18 1 1 A 14 14 GLN CA C 14 53.440 54.678 -1.238 1
1 134 . 18 1 1 A 14 14 GLN CB C 14 27.115 27.987 -0.872 1
1 136 . 18 1 1 A 14 14 GLN N N 14 117.811 120.038 -2.227 1
1 138 . 18 1 1 A 15 15 PRO HA H 15 4.342 4.416 -0.074 1
1 145 . 18 1 1 A 15 15 PRO CA C 15 66.870 64.536 2.334 1
1 146 . 18 1 1 A 15 15 PRO CB C 15 34.060 31.928 2.132 1
1 149 . 18 1 1 A 16 16 ASN H H 16 8.287 8.647 -0.360 1
1 150 . 18 1 1 A 16 16 ASN HA H 16 5.356 4.728 0.628 1
1 155 . 18 1 1 A 16 16 ASN CA C 16 52.230 54.922 -2.692 1
1 156 . 18 1 1 A 16 16 ASN CB C 16 39.030 38.140 0.890 1
1 157 . 18 1 1 A 16 16 ASN N N 16 110.638 116.229 -5.591 1
1 159 . 18 1 1 A 17 17 HIS H H 17 7.819 8.254 -0.435 1
1 160 . 18 1 1 A 17 17 HIS HA H 17 3.815 4.168 -0.353 1
1 164 . 18 1 1 A 17 17 HIS CA C 17 60.140 59.860 0.280 1
1 165 . 18 1 1 A 17 17 HIS CB C 17 27.680 29.690 -2.010 1
1 167 . 18 1 1 A 17 17 HIS N N 17 121.058 120.856 0.202 1
1 168 . 18 1 1 A 18 18 LYS H H 18 8.326 8.433 -0.107 1
1 169 . 18 1 1 A 18 18 LYS HA H 18 3.695 4.090 -0.395 1
1 175 . 18 1 1 A 18 18 LYS CA C 18 58.890 58.750 0.140 1
1 176 . 18 1 1 A 18 18 LYS CB C 18 31.070 31.522 -0.452 1
1 180 . 18 1 1 A 18 18 LYS N N 18 112.812 117.617 -4.805 1
1 181 . 18 1 1 A 19 19 VAL H H 19 7.373 8.062 -0.689 1
1 182 . 18 1 1 A 19 19 VAL HA H 19 3.816 3.964 -0.148 1
1 190 . 18 1 1 A 19 19 VAL CA C 19 64.960 65.085 -0.125 1
1 191 . 18 1 1 A 19 19 VAL CB C 19 30.960 31.582 -0.622 1
1 194 . 18 1 1 A 19 19 VAL N N 19 117.691 117.021 0.670 1
1 195 . 18 1 1 A 20 20 MET H H 20 7.329 7.621 -0.292 1
1 196 . 18 1 1 A 20 20 MET HA H 20 3.951 4.194 -0.243 1
1 204 . 18 1 1 A 20 20 MET CA C 20 55.560 57.372 -1.812 1
1 205 . 18 1 1 A 20 20 MET CB C 20 31.460 31.875 -0.415 1
1 208 . 18 1 1 A 20 20 MET N N 20 114.870 119.225 -4.355 1
1 209 . 18 1 1 A 21 21 LEU H H 21 6.718 7.427 -0.709 1
1 210 . 18 1 1 A 21 21 LEU HA H 21 4.091 4.260 -0.169 1
1 220 . 18 1 1 A 21 21 LEU CA C 21 54.140 55.745 -1.605 1
1 221 . 18 1 1 A 21 21 LEU CB C 21 42.310 42.184 0.126 1
1 225 . 18 1 1 A 21 21 LEU N N 21 116.021 118.017 -1.996 1
1 226 . 18 1 1 A 22 22 ASP H H 22 6.399 7.440 -1.041 1
1 227 . 18 1 1 A 22 22 ASP HA H 22 4.288 4.755 -0.467 1
1 229 . 18 1 1 A 22 22 ASP CA C 22 52.776 53.181 -0.405 1
1 230 . 18 1 1 A 22 22 ASP CB C 22 40.180 40.391 -0.211 1
1 231 . 18 1 1 A 22 22 ASP N N 22 117.972 119.326 -1.354 1
1 232 . 18 1 1 A 23 23 HIS H H 23 8.601 8.750 -0.149 1
1 233 . 18 1 1 A 23 23 HIS HA H 23 4.848 4.097 0.751 1
1 237 . 18 1 1 A 23 23 HIS CA C 23 55.800 59.291 -3.491 1
1 238 . 18 1 1 A 23 23 HIS CB C 23 27.860 30.264 -2.404 1
1 240 . 18 1 1 A 23 23 HIS N N 23 123.395 125.971 -2.576 1
1 241 . 18 1 1 A 24 24 SER H H 24 8.526 7.975 0.551 1
1 242 . 18 1 1 A 24 24 SER HA H 24 4.105 4.041 0.064 1
1 244 . 18 1 1 A 24 24 SER CA C 24 60.870 61.230 -0.360 1
1 245 . 18 1 1 A 24 24 SER CB C 24 62.510 63.099 -0.589 1
1 246 . 18 1 1 A 24 24 SER N N 24 117.035 115.000 2.035 1
1 247 . 18 1 1 A 25 25 HIS H H 25 7.450 7.873 -0.423 1
1 248 . 18 1 1 A 25 25 HIS HA H 25 4.494 4.117 0.377 1
1 252 . 18 1 1 A 25 25 HIS CA C 25 53.900 57.410 -3.510 1
1 253 . 18 1 1 A 25 25 HIS CB C 25 28.320 29.405 -1.085 1
1 255 . 18 1 1 A 25 25 HIS N N 25 117.560 117.121 0.439 1
1 256 . 18 1 1 A 26 26 GLY H H 26 6.926 7.086 -0.160 1
1 257 . 18 1 1 A 26 26 GLY HA2 H 26 3.587 3.805 -0.218 1
1 258 . 18 1 1 A 26 26 GLY HA3 H 26 4.362 3.915 0.447 1
1 259 . 18 1 1 A 26 26 GLY CA C 26 43.730 44.438 -0.708 1
1 260 . 18 1 1 A 26 26 GLY N N 26 103.120 105.495 -2.375 1
1 261 . 18 1 1 A 27 27 LEU H H 27 8.579 8.373 0.206 1
1 262 . 18 1 1 A 27 27 LEU HA H 27 4.327 4.837 -0.510 1
1 271 . 18 1 1 A 27 27 LEU CA C 27 54.520 54.793 -0.273 1
1 272 . 18 1 1 A 27 27 LEU CB C 27 44.250 43.326 0.924 1
1 276 . 18 1 1 A 27 27 LEU N N 27 121.940 121.243 0.697 1
1 277 . 18 1 1 A 28 28 ALA H H 28 7.776 8.666 -0.890 1
1 278 . 18 1 1 A 28 28 ALA HA H 28 5.231 5.113 0.118 1
1 282 . 18 1 1 A 28 28 ALA CA C 28 50.990 51.392 -0.402 1
1 283 . 18 1 1 A 28 28 ALA CB C 28 22.580 19.916 2.664 1
1 284 . 18 1 1 A 28 28 ALA N N 28 123.020 128.794 -5.774 1
1 285 . 18 1 1 A 29 29 ALA H H 29 9.231 9.004 0.227 1
1 286 . 18 1 1 A 29 29 ALA HA H 29 4.857 5.238 -0.381 1
1 290 . 18 1 1 A 29 29 ALA CA C 29 50.661 50.294 0.367 1
1 291 . 18 1 1 A 29 29 ALA CB C 29 21.140 20.534 0.606 1
1 292 . 18 1 1 A 29 29 ALA N N 29 125.760 125.456 0.304 1
1 293 . 18 1 1 A 30 30 PHE H H 30 9.083 9.194 -0.111 1
1 294 . 18 1 1 A 30 30 PHE HA H 30 3.397 4.555 -1.158 1
1 301 . 18 1 1 A 30 30 PHE CA C 30 59.895 58.440 1.455 1
1 302 . 18 1 1 A 30 30 PHE CB C 30 38.810 39.067 -0.257 1
1 305 . 18 1 1 A 30 30 PHE N N 30 126.590 125.682 0.908 1
1 306 . 18 1 1 A 31 31 ARG H H 31 8.102 8.786 -0.684 1
1 307 . 18 1 1 A 31 31 ARG HA H 31 3.941 4.315 -0.374 1
1 314 . 18 1 1 A 31 31 ARG CA C 31 53.120 55.000 -1.880 1
1 315 . 18 1 1 A 31 31 ARG CB C 31 31.665 30.501 1.164 1
1 318 . 18 1 1 A 31 31 ARG N N 31 125.007 128.155 -3.148 1
1 320 . 18 1 1 A 32 32 GLY H H 32 5.465 8.329 -2.864 1
1 321 . 18 1 1 A 32 32 GLY HA2 H 32 3.264 4.053 -0.789 1
1 322 . 18 1 1 A 32 32 GLY HA3 H 32 4.670 4.124 0.546 1
1 323 . 18 1 1 A 32 32 GLY CA C 32 45.150 44.399 0.751 1
1 324 . 18 1 1 A 32 32 GLY N N 32 101.400 110.976 -9.576 1
1 325 . 18 1 1 A 33 33 ARG H H 33 8.345 8.157 0.188 1
1 326 . 18 1 1 A 33 33 ARG HA H 33 5.158 5.141 0.017 1
1 332 . 18 1 1 A 33 33 ARG CA C 33 54.924 53.917 1.007 1
1 333 . 18 1 1 A 33 33 ARG CB C 33 34.180 34.690 -0.510 1
1 336 . 18 1 1 A 33 33 ARG N N 33 116.822 116.435 0.387 1
1 338 . 18 1 1 A 34 34 GLY H H 34 8.549 8.709 -0.160 1
1 339 . 18 1 1 A 34 34 GLY HA2 H 34 5.154 4.389 0.765 1
1 340 . 18 1 1 A 34 34 GLY HA3 H 34 3.752 4.436 -0.684 1
1 341 . 18 1 1 A 34 34 GLY CA C 34 45.620 45.877 -0.257 1
1 342 . 18 1 1 A 34 34 GLY N N 34 107.400 105.986 1.414 1
1 343 . 18 1 1 A 35 35 CYS H H 35 8.803 8.257 0.546 1
1 344 . 18 1 1 A 35 35 CYS HA H 35 5.893 5.646 0.247 1
1 347 . 18 1 1 A 35 35 CYS CA C 35 55.420 57.320 -1.900 1
1 348 . 18 1 1 A 35 35 CYS CB C 35 30.960 31.712 -0.752 1
1 349 . 18 1 1 A 35 35 CYS N N 35 117.781 117.115 0.666 1
1 350 . 18 1 1 A 36 36 THR H H 36 9.033 8.809 0.224 1
1 351 . 18 1 1 A 36 36 THR HA H 36 3.835 4.196 -0.361 1
1 356 . 18 1 1 A 36 36 THR CA C 36 64.160 61.515 2.645 1
1 357 . 18 1 1 A 36 36 THR CB C 36 68.200 68.326 -0.126 1
1 359 . 18 1 1 A 36 36 THR N N 36 117.973 115.385 2.588 1
1 360 . 18 1 1 A 37 37 VAL H H 37 7.545 8.166 -0.621 1
1 361 . 18 1 1 A 37 37 VAL HA H 37 3.709 3.733 -0.024 1
1 369 . 18 1 1 A 37 37 VAL CA C 37 65.740 65.244 0.496 1
1 370 . 18 1 1 A 37 37 VAL CB C 37 32.410 31.434 0.976 1
1 373 . 18 1 1 A 37 37 VAL N N 37 121.706 122.405 -0.699 1
1 374 . 18 1 1 A 38 38 GLU H H 38 8.540 7.646 0.894 1
1 375 . 18 1 1 A 38 38 GLU HA H 38 4.264 4.146 0.118 1
1 380 . 18 1 1 A 38 38 GLU CA C 38 54.260 56.225 -1.965 1
1 381 . 18 1 1 A 38 38 GLU CB C 38 30.770 29.961 0.809 1
1 383 . 18 1 1 A 38 38 GLU N N 38 119.219 123.710 -4.491 1
1 384 . 18 1 1 A 39 39 SER H H 39 8.692 8.325 0.367 1
1 385 . 18 1 1 A 39 39 SER HA H 39 4.035 4.327 -0.292 1
1 388 . 18 1 1 A 39 39 SER CA C 39 57.370 58.234 -0.864 1
1 389 . 18 1 1 A 39 39 SER CB C 39 63.760 64.186 -0.426 1
1 390 . 18 1 1 A 39 39 SER N N 39 118.941 119.410 -0.469 1
1 391 . 18 1 1 A 40 40 PHE H H 40 8.302 8.778 -0.476 1
1 392 . 18 1 1 A 40 40 PHE HA H 40 4.986 4.928 0.058 1
1 400 . 18 1 1 A 40 40 PHE CA C 40 57.320 55.694 1.626 1
1 401 . 18 1 1 A 40 40 PHE CB C 40 44.292 42.879 1.413 1
1 405 . 18 1 1 A 40 40 PHE N N 40 119.300 119.320 -0.020 1
1 406 . 18 1 1 A 41 41 PRO HA H 41 3.828 4.050 -0.222 1
1 413 . 18 1 1 A 41 41 PRO CA C 41 62.270 61.844 0.426 1
1 414 . 18 1 1 A 41 41 PRO CB C 41 30.790 28.920 1.870 1
1 417 . 18 1 1 A 42 42 LEU H H 42 7.964 8.152 -0.188 1
1 418 . 18 1 1 A 42 42 LEU HA H 42 5.352 4.738 0.614 1
1 427 . 18 1 1 A 42 42 LEU CA C 42 53.830 54.378 -0.548 1
1 428 . 18 1 1 A 42 42 LEU CB C 42 42.380 42.270 0.110 1
1 431 . 18 1 1 A 42 42 LEU N N 42 129.948 124.436 5.512 1
1 432 . 18 1 1 A 43 43 VAL H H 43 8.607 8.938 -0.331 1
1 433 . 18 1 1 A 43 43 VAL HA H 43 5.296 4.919 0.377 1
1 441 . 18 1 1 A 43 43 VAL CA C 43 58.040 61.645 -3.605 1
1 442 . 18 1 1 A 43 43 VAL CB C 43 35.220 33.027 2.193 1
1 445 . 18 1 1 A 43 43 VAL N N 43 117.190 126.291 -9.101 1
1 446 . 18 1 1 A 44 44 ILE H H 44 9.056 8.639 0.417 1
1 447 . 18 1 1 A 44 44 ILE HA H 44 4.426 4.920 -0.494 1
1 457 . 18 1 1 A 44 44 ILE CA C 44 61.156 60.381 0.775 1
1 458 . 18 1 1 A 44 44 ILE CB C 44 38.544 39.669 -1.125 1
1 462 . 18 1 1 A 44 44 ILE N N 44 122.963 126.888 -3.925 1
1 463 . 18 1 1 A 45 45 ALA H H 45 8.701 8.372 0.329 1
1 464 . 18 1 1 A 45 45 ALA HA H 45 4.626 4.725 -0.099 1
1 468 . 18 1 1 A 45 45 ALA CA C 45 51.430 50.808 0.622 1
1 469 . 18 1 1 A 45 45 ALA CB C 45 21.670 21.695 -0.025 1
1 470 . 18 1 1 A 45 45 ALA N N 45 126.347 128.168 -1.821 1
1 471 . 18 1 1 A 46 46 GLY H H 46 8.486 8.536 -0.050 1
1 472 . 18 1 1 A 46 46 GLY HA2 H 46 4.587 4.116 0.471 1
1 473 . 18 1 1 A 46 46 GLY HA3 H 46 4.084 4.179 -0.095 1
1 474 . 18 1 1 A 46 46 GLY CA C 46 44.500 44.745 -0.245 1
1 475 . 18 1 1 A 46 46 GLY N N 46 108.262 107.245 1.017 1
1 476 . 18 1 1 A 47 47 GLU H H 47 8.938 8.837 0.101 1
1 477 . 18 1 1 A 47 47 GLU HA H 47 4.003 3.899 0.104 1
1 480 . 18 1 1 A 47 47 GLU CA C 47 58.820 58.737 0.083 1
1 481 . 18 1 1 A 47 47 GLU CB C 47 29.500 29.043 0.457 1
1 482 . 18 1 1 A 47 47 GLU N N 47 118.010 121.976 -3.966 1
1 483 . 18 1 1 A 48 48 HIS H H 48 8.742 7.138 1.604 1
1 484 . 18 1 1 A 48 48 HIS HA H 48 4.704 4.628 0.076 1
1 488 . 18 1 1 A 48 48 HIS CA C 48 55.130 55.728 -0.598 1
1 489 . 18 1 1 A 48 48 HIS CB C 48 29.110 30.336 -1.226 1
1 491 . 18 1 1 A 48 48 HIS N N 48 115.306 114.403 0.903 1
1 492 . 18 1 1 A 49 49 ASN H H 49 7.810 7.648 0.162 1
1 493 . 18 1 1 A 49 49 ASN HA H 49 3.878 4.217 -0.339 1
1 498 . 18 1 1 A 49 49 ASN CA C 49 53.876 54.427 -0.551 1
1 499 . 18 1 1 A 49 49 ASN CB C 49 36.030 36.703 -0.673 1
1 500 . 18 1 1 A 49 49 ASN N N 49 114.919 114.080 0.839 1
1 502 . 18 1 1 A 50 50 ILE H H 50 7.046 7.399 -0.353 1
1 503 . 18 1 1 A 50 50 ILE HA H 50 4.022 4.402 -0.380 1
1 513 . 18 1 1 A 50 50 ILE CA C 50 59.430 58.051 1.379 1
1 514 . 18 1 1 A 50 50 ILE CB C 50 41.326 38.337 2.989 1
1 518 . 18 1 1 A 50 50 ILE N N 50 120.995 120.153 0.842 1
1 519 . 18 1 1 A 51 51 PRO HA H 51 5.194 4.604 0.590 1
1 521 . 18 1 1 A 51 51 PRO CA C 51 60.560 62.728 -2.168 1
1 522 . 18 1 1 A 51 51 PRO CB C 51 31.841 32.051 -0.210 1
1 523 . 18 1 1 A 52 52 TRP H H 52 9.564 8.894 0.670 1
1 524 . 18 1 1 A 52 52 TRP HA H 52 4.805 5.244 -0.439 1
1 532 . 18 1 1 A 52 52 TRP CA C 52 56.550 55.758 0.792 1
1 533 . 18 1 1 A 52 52 TRP CB C 52 32.300 31.233 1.067 1
1 539 . 18 1 1 A 52 52 TRP N N 52 123.070 124.434 -1.364 1
1 541 . 18 1 1 A 53 53 LEU H H 53 7.227 9.026 -1.799 1
1 542 . 18 1 1 A 53 53 LEU HA H 53 4.863 4.455 0.408 1
1 552 . 18 1 1 A 53 53 LEU CA C 53 53.790 54.383 -0.593 1
1 553 . 18 1 1 A 53 53 LEU CB C 53 42.250 41.458 0.792 1
1 557 . 18 1 1 A 53 53 LEU N N 53 124.700 127.603 -2.903 1
1 558 . 18 1 1 A 54 54 LEU H H 54 9.021 8.163 0.858 1
1 559 . 18 1 1 A 54 54 LEU HA H 54 4.618 4.356 0.262 1
1 569 . 18 1 1 A 54 54 LEU CA C 54 54.030 55.959 -1.929 1
1 570 . 18 1 1 A 54 54 LEU CB C 54 40.360 41.842 -1.482 1
1 574 . 18 1 1 A 54 54 LEU N N 54 126.893 127.929 -1.036 1
1 575 . 18 1 1 A 55 55 TYR H H 55 8.884 8.922 -0.038 1
1 576 . 18 1 1 A 55 55 TYR HA H 55 4.562 4.638 -0.076 1
1 583 . 18 1 1 A 55 55 TYR CA C 55 58.420 56.646 1.774 1
1 584 . 18 1 1 A 55 55 TYR CB C 55 36.180 38.030 -1.850 1
1 587 . 18 1 1 A 55 55 TYR N N 55 123.430 126.090 -2.660 1
1 588 . 18 1 1 A 56 56 LEU H H 56 8.192 8.780 -0.588 1
1 589 . 18 1 1 A 56 56 LEU HA H 56 4.530 4.842 -0.312 1
1 598 . 18 1 1 A 56 56 LEU CA C 56 51.720 51.744 -0.024 1
1 599 . 18 1 1 A 56 56 LEU CB C 56 43.260 43.454 -0.194 1
1 602 . 18 1 1 A 56 56 LEU N N 56 130.832 128.826 2.006 1
1 603 . 18 1 1 A 57 57 PRO HA H 57 3.779 3.684 0.095 1
1 610 . 18 1 1 A 57 57 PRO CA C 57 62.240 63.696 -1.456 1
1 611 . 18 1 1 A 57 57 PRO CB C 57 31.130 31.138 -0.008 1
1 614 . 18 1 1 A 58 58 GLY H H 58 8.908 8.903 0.005 1
1 615 . 18 1 1 A 58 58 GLY HA2 H 58 4.027 3.748 0.279 1
1 616 . 18 1 1 A 58 58 GLY HA3 H 58 3.433 3.783 -0.350 1
1 617 . 18 1 1 A 58 58 GLY CA C 58 44.860 45.382 -0.522 1
1 618 . 18 1 1 A 58 58 GLY N N 58 112.351 112.367 -0.016 1
1 619 . 18 1 1 A 59 59 LYS H H 59 7.214 7.426 -0.212 1
1 620 . 18 1 1 A 59 59 LYS HA H 59 4.386 4.593 -0.207 1
1 629 . 18 1 1 A 59 59 LYS CA C 59 53.760 54.763 -1.003 1
1 630 . 18 1 1 A 59 59 LYS CB C 59 34.590 35.199 -0.609 1
1 634 . 18 1 1 A 59 59 LYS N N 59 121.458 120.252 1.206 1
1 635 . 18 1 1 A 60 60 GLY H H 60 8.312 8.279 0.033 1
1 636 . 18 1 1 A 60 60 GLY HA2 H 60 3.379 3.613 -0.234 1
1 637 . 18 1 1 A 60 60 GLY HA3 H 60 3.229 3.622 -0.393 1
1 638 . 18 1 1 A 60 60 GLY CA C 60 45.350 45.351 -0.001 1
1 639 . 18 1 1 A 60 60 GLY N N 60 103.990 109.566 -5.576 1
1 640 . 18 1 1 A 61 61 HIS H H 61 7.880 8.312 -0.432 1
1 641 . 18 1 1 A 61 61 HIS HA H 61 4.868 5.466 -0.598 1
1 645 . 18 1 1 A 61 61 HIS CA C 61 53.920 54.598 -0.678 1
1 646 . 18 1 1 A 61 61 HIS CB C 61 33.020 34.588 -1.568 1
1 648 . 18 1 1 A 61 61 HIS N N 61 121.221 119.997 1.224 1
1 649 . 18 1 1 A 62 62 CYS H H 62 8.760 8.921 -0.161 1
1 650 . 18 1 1 A 62 62 CYS HA H 62 4.248 5.087 -0.839 1
1 653 . 18 1 1 A 62 62 CYS CA C 62 61.730 57.459 4.271 1
1 654 . 18 1 1 A 62 62 CYS CB C 62 26.560 29.201 -2.641 1
1 655 . 18 1 1 A 62 62 CYS N N 62 121.842 119.958 1.884 1
1 656 . 18 1 1 A 63 63 VAL H H 63 8.109 8.581 -0.472 1
1 657 . 18 1 1 A 63 63 VAL HA H 63 4.869 4.604 0.265 1
1 665 . 18 1 1 A 63 63 VAL CA C 63 62.210 63.317 -1.107 1
1 666 . 18 1 1 A 63 63 VAL CB C 63 34.780 31.869 2.911 1
1 669 . 18 1 1 A 63 63 VAL N N 63 127.029 126.396 0.633 1
1 670 . 18 1 1 A 64 64 THR H H 64 8.453 8.219 0.234 1
1 671 . 18 1 1 A 64 64 THR HA H 64 5.349 4.925 0.424 1
1 676 . 18 1 1 A 64 64 THR CA C 64 61.100 61.215 -0.115 1
1 677 . 18 1 1 A 64 64 THR CB C 64 70.790 70.144 0.646 1
1 679 . 18 1 1 A 64 64 THR N N 64 116.830 119.134 -2.304 1
1 680 . 18 1 1 A 65 65 GLY H H 65 8.663 8.816 -0.153 1
1 681 . 18 1 1 A 65 65 GLY HA2 H 65 4.085 3.746 0.339 1
1 682 . 18 1 1 A 65 65 GLY HA3 H 65 3.480 4.158 -0.678 1
1 683 . 18 1 1 A 65 65 GLY CA C 65 46.570 45.959 0.611 1
1 684 . 18 1 1 A 65 65 GLY N N 65 107.680 108.961 -1.281 1
1 685 . 18 1 1 A 66 66 GLU H H 66 8.574 8.225 0.349 1
1 686 . 18 1 1 A 66 66 GLU HA H 66 5.150 5.070 0.080 1
1 689 . 18 1 1 A 66 66 GLU CA C 66 54.450 54.364 0.086 1
1 690 . 18 1 1 A 66 66 GLU CB C 66 37.328 33.377 3.951 1
1 691 . 18 1 1 A 66 66 GLU N N 66 120.921 118.720 2.201 1
1 692 . 18 1 1 A 67 67 ILE H H 67 8.623 7.716 0.907 1
1 693 . 18 1 1 A 67 67 ILE HA H 67 5.149 4.665 0.484 1
1 703 . 18 1 1 A 67 67 ILE CA C 67 60.180 59.867 0.313 1
1 704 . 18 1 1 A 67 67 ILE CB C 67 40.210 40.587 -0.377 1
1 708 . 18 1 1 A 67 67 ILE N N 67 121.340 120.690 0.650 1
1 709 . 18 1 1 A 68 68 TYR H H 68 9.196 8.716 0.480 1
1 710 . 18 1 1 A 68 68 TYR HA H 68 5.001 5.170 -0.169 1
1 717 . 18 1 1 A 68 68 TYR CA C 68 56.270 56.286 -0.016 1
1 718 . 18 1 1 A 68 68 TYR CB C 68 41.480 40.881 0.599 1
1 721 . 18 1 1 A 68 68 TYR N N 68 123.650 125.639 -1.989 1
1 722 . 18 1 1 A 69 69 GLU H H 69 9.302 9.259 0.043 1
1 723 . 18 1 1 A 69 69 GLU HA H 69 5.066 4.395 0.671 1
1 728 . 18 1 1 A 69 69 GLU CA C 69 55.180 56.922 -1.742 1
1 729 . 18 1 1 A 69 69 GLU CB C 69 31.420 30.697 0.723 1
1 731 . 18 1 1 A 69 69 GLU N N 69 124.090 125.268 -1.178 1
1 732 . 18 1 1 A 70 70 VAL H H 70 8.908 8.729 0.179 1
1 733 . 18 1 1 A 70 70 VAL HA H 70 5.556 5.054 0.502 1
1 741 . 18 1 1 A 70 70 VAL CA C 70 57.780 59.242 -1.462 1
1 742 . 18 1 1 A 70 70 VAL CB C 70 35.400 35.578 -0.178 1
1 745 . 18 1 1 A 70 70 VAL N N 70 119.540 119.733 -0.193 1
1 746 . 18 1 1 A 71 71 ASP H H 71 7.939 8.863 -0.924 1
1 747 . 18 1 1 A 71 71 ASP HA H 71 4.909 4.926 -0.017 1
1 750 . 18 1 1 A 71 71 ASP CA C 71 51.240 52.802 -1.562 1
1 751 . 18 1 1 A 71 71 ASP CB C 71 42.210 42.463 -0.253 1
1 752 . 18 1 1 A 71 71 ASP N N 71 120.720 123.834 -3.114 1
1 753 . 18 1 1 A 72 72 GLU H H 72 8.364 8.683 -0.319 1
1 754 . 18 1 1 A 72 72 GLU HA H 72 3.869 4.030 -0.161 1
1 757 . 18 1 1 A 72 72 GLU CA C 72 59.775 59.516 0.259 1
1 758 . 18 1 1 A 72 72 GLU CB C 72 29.140 29.334 -0.194 1
1 760 . 18 1 1 A 72 72 GLU N N 72 117.910 121.643 -3.733 1
1 761 . 18 1 1 A 73 73 GLN H H 73 7.960 7.968 -0.008 1
1 762 . 18 1 1 A 73 73 GLN HA H 73 3.899 4.107 -0.208 1
1 767 . 18 1 1 A 73 73 GLN CA C 73 59.570 58.660 0.910 1
1 768 . 18 1 1 A 73 73 GLN CB C 73 27.810 28.385 -0.575 1
1 770 . 18 1 1 A 73 73 GLN N N 73 119.617 120.480 -0.863 1
1 772 . 18 1 1 A 74 74 MET H H 74 8.489 8.072 0.417 1
1 773 . 18 1 1 A 74 74 MET HA H 74 4.766 4.345 0.421 1
1 780 . 18 1 1 A 74 74 MET CA C 74 56.790 58.536 -1.746 1
1 781 . 18 1 1 A 74 74 MET CB C 74 31.900 32.495 -0.595 1
1 784 . 18 1 1 A 74 74 MET N N 74 121.800 119.284 2.516 1
1 785 . 18 1 1 A 75 75 LEU H H 75 8.162 8.555 -0.393 1
1 786 . 18 1 1 A 75 75 LEU HA H 75 3.897 4.170 -0.273 1
1 796 . 18 1 1 A 75 75 LEU CA C 75 58.230 58.118 0.112 1
1 797 . 18 1 1 A 75 75 LEU CB C 75 42.160 41.720 0.440 1
1 801 . 18 1 1 A 75 75 LEU N N 75 120.230 121.581 -1.351 1
1 802 . 18 1 1 A 76 76 ARG H H 76 7.824 8.432 -0.608 1
1 803 . 18 1 1 A 76 76 ARG HA H 76 3.952 4.054 -0.102 1
1 811 . 18 1 1 A 76 76 ARG CA C 76 59.270 59.648 -0.378 1
1 812 . 18 1 1 A 76 76 ARG CB C 76 29.930 29.660 0.270 1
1 815 . 18 1 1 A 76 76 ARG N N 76 116.540 118.902 -2.362 1
1 817 . 18 1 1 A 77 77 PHE H H 77 8.137 8.314 -0.177 1
1 818 . 18 1 1 A 77 77 PHE HA H 77 4.085 4.221 -0.136 1
1 825 . 18 1 1 A 77 77 PHE CA C 77 61.980 61.321 0.659 1
1 826 . 18 1 1 A 77 77 PHE CB C 77 38.530 39.244 -0.714 1
1 829 . 18 1 1 A 77 77 PHE N N 77 120.650 122.086 -1.436 1
1 830 . 18 1 1 A 78 78 LEU H H 78 9.071 8.863 0.208 1
1 831 . 18 1 1 A 78 78 LEU HA H 78 3.629 3.772 -0.143 1
1 841 . 18 1 1 A 78 78 LEU CA C 78 57.730 57.770 -0.040 1
1 842 . 18 1 1 A 78 78 LEU CB C 78 41.420 41.143 0.277 1
1 846 . 18 1 1 A 78 78 LEU N N 78 122.360 119.780 2.580 1
1 847 . 18 1 1 A 79 79 ASP H H 79 8.506 8.028 0.478 1
1 848 . 18 1 1 A 79 79 ASP HA H 79 4.320 4.611 -0.291 1
1 851 . 18 1 1 A 79 79 ASP CA C 79 57.190 56.642 0.548 1
1 852 . 18 1 1 A 79 79 ASP CB C 79 39.420 40.640 -1.220 1
1 853 . 18 1 1 A 79 79 ASP N N 79 120.070 119.003 1.067 1
1 854 . 18 1 1 A 80 80 ASP H H 80 7.154 7.832 -0.678 1
1 855 . 18 1 1 A 80 80 ASP HA H 80 4.501 4.820 -0.319 1
1 858 . 18 1 1 A 80 80 ASP CA C 80 56.700 54.395 2.305 1
1 859 . 18 1 1 A 80 80 ASP CB C 80 40.660 42.420 -1.760 1
1 860 . 18 1 1 A 80 80 ASP N N 80 118.890 119.579 -0.689 1
1 861 . 18 1 1 A 81 81 PHE H H 81 8.791 7.469 1.322 1
1 862 . 18 1 1 A 81 81 PHE HA H 81 3.659 3.771 -0.112 1
1 867 . 18 1 1 A 81 81 PHE CA C 81 61.640 61.188 0.452 1
1 868 . 18 1 1 A 81 81 PHE CB C 81 40.210 38.861 1.349 1
1 870 . 18 1 1 A 81 81 PHE N N 81 125.745 120.404 5.341 1
1 871 . 18 1 1 A 82 82 GLU H H 82 8.209 7.348 0.861 1
1 872 . 18 1 1 A 82 82 GLU HA H 82 3.956 4.339 -0.383 1
1 875 . 18 1 1 A 82 82 GLU CA C 82 55.060 55.826 -0.766 1
1 876 . 18 1 1 A 82 82 GLU CB C 82 28.910 29.347 -0.437 1
1 878 . 18 1 1 A 82 82 GLU N N 82 115.707 116.449 -0.742 1
1 879 . 18 1 1 A 83 83 ASP H H 83 7.615 8.002 -0.387 1
1 880 . 18 1 1 A 83 83 ASP HA H 83 4.236 4.141 0.095 1
1 883 . 18 1 1 A 83 83 ASP CA C 83 54.370 55.428 -1.058 1
1 884 . 18 1 1 A 83 83 ASP CB C 83 39.400 39.488 -0.088 1
1 885 . 18 1 1 A 83 83 ASP N N 83 116.517 116.147 0.370 1
1 886 . 18 1 1 A 84 84 CYS H H 84 8.361 7.747 0.614 1
1 887 . 18 1 1 A 84 84 CYS HA H 84 5.522 4.642 0.880 1
1 890 . 18 1 1 A 84 84 CYS CA C 84 56.617 57.924 -1.307 1
1 891 . 18 1 1 A 84 84 CYS CB C 84 27.651 27.704 -0.053 1
1 892 . 18 1 1 A 84 84 CYS N N 84 119.420 116.105 3.315 1
1 893 . 18 1 1 A 85 85 PRO HA H 85 5.704 4.876 0.828 1
1 900 . 18 1 1 A 85 85 PRO CA C 85 64.355 64.179 0.176 1
1 901 . 18 1 1 A 85 85 PRO CB C 85 33.190 32.031 1.159 1
1 904 . 18 1 1 A 86 86 SER H H 86 8.389 8.370 0.019 1
1 905 . 18 1 1 A 86 86 SER HA H 86 4.175 4.182 -0.007 1
1 907 . 18 1 1 A 86 86 SER CA C 86 62.130 61.806 0.324 1
1 908 . 18 1 1 A 86 86 SER CB C 86 63.080 62.856 0.224 1
1 909 . 18 1 1 A 86 86 SER N N 86 122.195 114.597 7.598 1
1 910 . 18 1 1 A 87 87 MET H H 87 8.576 8.363 0.213 1
1 911 . 18 1 1 A 87 87 MET HA H 87 4.475 4.378 0.097 1
1 918 . 18 1 1 A 87 87 MET CA C 87 57.520 58.421 -0.901 1
1 919 . 18 1 1 A 87 87 MET CB C 87 33.210 34.230 -1.020 1
1 922 . 18 1 1 A 87 87 MET N N 87 121.299 119.205 2.094 1
1 923 . 18 1 1 A 88 88 TYR H H 88 6.778 8.136 -1.358 1
1 924 . 18 1 1 A 88 88 TYR HA H 88 5.023 5.127 -0.104 1
1 931 . 18 1 1 A 88 88 TYR CA C 88 56.300 57.430 -1.130 1
1 932 . 18 1 1 A 88 88 TYR CB C 88 42.530 41.038 1.492 1
1 935 . 18 1 1 A 88 88 TYR N N 88 113.420 115.321 -1.901 1
1 936 . 18 1 1 A 89 89 GLN H H 89 9.567 9.382 0.185 1
1 937 . 18 1 1 A 89 89 GLN HA H 89 4.857 5.052 -0.195 1
1 944 . 18 1 1 A 89 89 GLN CA C 89 55.870 54.314 1.556 1
1 945 . 18 1 1 A 89 89 GLN CB C 89 30.430 32.581 -2.151 1
1 947 . 18 1 1 A 89 89 GLN N N 89 115.440 119.469 -4.029 1
1 949 . 18 1 1 A 90 90 ARG H H 90 8.772 8.647 0.125 1
1 950 . 18 1 1 A 90 90 ARG HA H 90 4.499 4.483 0.016 1
1 958 . 18 1 1 A 90 90 ARG CA C 90 56.620 56.219 0.401 1
1 959 . 18 1 1 A 90 90 ARG CB C 90 29.020 30.865 -1.845 1
1 962 . 18 1 1 A 90 90 ARG N N 90 123.860 123.618 0.242 1
1 964 . 18 1 1 A 91 91 THR H H 91 9.217 8.892 0.325 1
1 965 . 18 1 1 A 91 91 THR HA H 91 4.518 4.922 -0.404 1
1 970 . 18 1 1 A 91 91 THR CA C 91 60.570 60.832 -0.262 1
1 971 . 18 1 1 A 91 91 THR CB C 91 71.050 72.828 -1.778 1
1 973 . 18 1 1 A 91 91 THR N N 91 125.064 120.575 4.489 1
1 974 . 18 1 1 A 92 92 ALA H H 92 8.655 8.749 -0.094 1
1 975 . 18 1 1 A 92 92 ALA HA H 92 5.041 5.690 -0.649 1
1 979 . 18 1 1 A 92 92 ALA CA C 92 51.320 50.068 1.252 1
1 980 . 18 1 1 A 92 92 ALA CB C 92 19.480 23.043 -3.563 1
1 981 . 18 1 1 A 92 92 ALA N N 92 126.963 124.572 2.391 1
1 982 . 18 1 1 A 93 93 LEU H H 93 9.005 8.772 0.233 1
1 983 . 18 1 1 A 93 93 LEU HA H 93 4.720 5.329 -0.609 1
1 993 . 18 1 1 A 93 93 LEU CA C 93 53.750 53.454 0.296 1
1 994 . 18 1 1 A 93 93 LEU CB C 93 45.340 44.751 0.589 1
1 998 . 18 1 1 A 93 93 LEU N N 93 122.440 116.676 5.764 1
1 999 . 18 1 1 A 94 94 GLN H H 94 8.360 8.548 -0.188 1
1 1000 . 18 1 1 A 94 94 GLN HA H 94 4.229 5.202 -0.973 1
1 1005 . 18 1 1 A 94 94 GLN CA C 94 56.040 54.447 1.593 1
1 1006 . 18 1 1 A 94 94 GLN CB C 94 28.780 31.933 -3.153 1
1 1008 . 18 1 1 A 94 94 GLN N N 94 119.357 118.711 0.646 1
1 1010 . 18 1 1 A 95 95 VAL H H 95 8.612 8.792 -0.180 1
1 1011 . 18 1 1 A 95 95 VAL HA H 95 4.013 4.589 -0.576 1
1 1019 . 18 1 1 A 95 95 VAL CA C 95 61.440 59.879 1.561 1
1 1020 . 18 1 1 A 95 95 VAL CB C 95 35.110 34.681 0.429 1
1 1023 . 18 1 1 A 95 95 VAL N N 95 126.928 125.583 1.345 1
1 1024 . 18 1 1 A 96 96 GLN H H 96 9.222 8.748 0.474 1
1 1025 . 18 1 1 A 96 96 GLN HA H 96 4.279 4.459 -0.180 1
1 1032 . 18 1 1 A 96 96 GLN CA C 96 55.150 56.642 -1.492 1
1 1033 . 18 1 1 A 96 96 GLN CB C 96 29.100 28.970 0.130 1
1 1035 . 18 1 1 A 96 96 GLN N N 96 128.360 129.343 -0.983 1
1 1037 . 18 1 1 A 97 97 VAL H H 97 8.233 9.336 -1.103 1
1 1038 . 18 1 1 A 97 97 VAL HA H 97 3.674 4.180 -0.506 1
1 1046 . 18 1 1 A 97 97 VAL CA C 97 64.040 63.189 0.851 1
1 1047 . 18 1 1 A 97 97 VAL CB C 97 31.920 30.524 1.396 1
1 1050 . 18 1 1 A 97 97 VAL N N 97 128.120 127.331 0.789 1
1 1051 . 18 1 1 A 98 98 LEU H H 98 8.880 8.743 0.137 1
1 1052 . 18 1 1 A 98 98 LEU HA H 98 4.472 4.314 0.158 1
1 1059 . 18 1 1 A 98 98 LEU CA C 98 55.641 56.077 -0.436 1
1 1060 . 18 1 1 A 98 98 LEU CB C 98 42.510 42.780 -0.270 1
1 1063 . 18 1 1 A 98 98 LEU N N 98 128.877 128.988 -0.111 1
1 1064 . 18 1 1 A 99 99 GLU H H 99 7.682 7.373 0.309 1
1 1065 . 18 1 1 A 99 99 GLU HA H 99 4.403 4.819 -0.416 1
1 1070 . 18 1 1 A 99 99 GLU CA C 99 56.310 56.025 0.285 1
1 1071 . 18 1 1 A 99 99 GLU CB C 99 32.790 33.179 -0.389 1
1 1073 . 18 1 1 A 99 99 GLU N N 99 118.210 117.714 0.496 1
1 1074 . 18 1 1 A 100 100 TRP H H 100 8.883 8.776 0.107 1
1 1075 . 18 1 1 A 100 100 TRP HA H 100 5.205 5.148 0.057 1
1 1084 . 18 1 1 A 100 100 TRP CA C 100 55.982 56.749 -0.767 1
1 1085 . 18 1 1 A 100 100 TRP CB C 100 32.430 31.504 0.926 1
1 1091 . 18 1 1 A 100 100 TRP N N 100 126.421 126.541 -0.120 1
1 1093 . 18 1 1 A 101 101 GLU H H 101 8.116 8.250 -0.134 1
1 1094 . 18 1 1 A 101 101 GLU HA H 101 4.462 4.510 -0.048 1
1 1098 . 18 1 1 A 101 101 GLU CA C 101 55.050 56.079 -1.029 1
1 1099 . 18 1 1 A 101 101 GLU CB C 101 30.950 28.031 2.919 1
1 1101 . 18 1 1 A 101 101 GLU N N 101 128.535 127.424 1.111 1
1 1102 . 18 1 1 A 102 102 GLY H H 102 7.614 7.444 0.170 1
1 1103 . 18 1 1 A 102 102 GLY HA2 H 102 3.853 4.047 -0.194 1
1 1104 . 18 1 1 A 102 102 GLY HA3 H 102 3.905 4.137 -0.232 1
1 1105 . 18 1 1 A 102 102 GLY CA C 102 44.440 45.138 -0.698 1
1 1106 . 18 1 1 A 102 102 GLY N N 102 108.953 110.235 -1.282 1
1 1107 . 18 1 1 A 103 103 ASP H H 103 8.261 8.503 -0.242 1
1 1108 . 18 1 1 A 103 103 ASP HA H 103 4.641 4.625 0.016 1
1 1111 . 18 1 1 A 103 103 ASP CA C 103 54.530 55.072 -0.542 1
1 1112 . 18 1 1 A 103 103 ASP CB C 103 41.690 41.505 0.185 1
1 1113 . 18 1 1 A 103 103 ASP N N 103 118.730 120.262 -1.532 1
1 1114 . 18 1 1 A 104 104 GLY H H 104 8.526 8.933 -0.407 1
1 1115 . 18 1 1 A 104 104 GLY HA2 H 104 3.719 3.917 -0.198 1
1 1116 . 18 1 1 A 104 104 GLY HA3 H 104 3.892 4.032 -0.140 1
1 1117 . 18 1 1 A 104 104 GLY CA C 104 45.960 46.761 -0.801 1
1 1118 . 18 1 1 A 104 104 GLY N N 104 109.230 113.662 -4.432 1
1 1119 . 18 1 1 A 105 105 ASP H H 105 7.806 7.982 -0.176 1
1 1120 . 18 1 1 A 105 105 ASP HA H 105 3.381 4.144 -0.763 1
1 1123 . 18 1 1 A 105 105 ASP CA C 105 51.020 50.289 0.731 1
1 1124 . 18 1 1 A 105 105 ASP CB C 105 41.406 40.753 0.653 1
1 1125 . 18 1 1 A 105 105 ASP N N 105 119.739 119.831 -0.092 1
1 1126 . 18 1 1 A 106 106 PRO HA H 106 4.065 4.183 -0.118 1
1 1133 . 18 1 1 A 106 106 PRO CA C 106 62.970 63.429 -0.459 1
1 1134 . 18 1 1 A 106 106 PRO CB C 106 31.660 31.455 0.205 1
1 1137 . 18 1 1 A 107 107 GLY H H 107 7.863 7.884 -0.021 1
1 1138 . 18 1 1 A 107 107 GLY HA2 H 107 3.401 3.975 -0.574 1
1 1139 . 18 1 1 A 107 107 GLY HA3 H 107 4.103 3.980 0.123 1
1 1140 . 18 1 1 A 107 107 GLY CA C 107 44.170 44.007 0.163 1
1 1141 . 18 1 1 A 107 107 GLY N N 107 109.610 110.687 -1.077 1
1 1142 . 18 1 1 A 108 108 ASP H H 108 8.171 8.770 -0.599 1
1 1143 . 18 1 1 A 108 108 ASP HA H 108 4.283 4.486 -0.203 1
1 1145 . 18 1 1 A 108 108 ASP CA C 108 56.430 55.539 0.891 1
1 1146 . 18 1 1 A 108 108 ASP CB C 108 41.490 41.282 0.208 1
1 1147 . 18 1 1 A 108 108 ASP N N 108 119.264 123.058 -3.794 1
1 1148 . 18 1 1 A 109 109 SER H H 109 7.560 7.898 -0.338 1
1 1149 . 18 1 1 A 109 109 SER HA H 109 5.188 5.394 -0.206 1
1 1152 . 18 1 1 A 109 109 SER CA C 109 56.740 56.970 -0.230 1
1 1153 . 18 1 1 A 109 109 SER CB C 109 65.780 66.965 -1.185 1
1 1154 . 18 1 1 A 109 109 SER N N 109 110.810 111.348 -0.538 1
1 1155 . 18 1 1 A 110 110 VAL H H 110 8.932 8.861 0.071 1
1 1156 . 18 1 1 A 110 110 VAL HA H 110 4.262 4.802 -0.540 1
1 1164 . 18 1 1 A 110 110 VAL CA C 110 59.470 59.465 0.005 1
1 1165 . 18 1 1 A 110 110 VAL CB C 110 35.400 35.756 -0.356 1
1 1168 . 18 1 1 A 110 110 VAL N N 110 118.530 119.952 -1.422 1
1 1169 . 18 1 1 A 111 111 GLN H H 111 8.468 8.597 -0.129 1
1 1170 . 18 1 1 A 111 111 GLN HA H 111 4.422 4.715 -0.293 1
1 1177 . 18 1 1 A 111 111 GLN CA C 111 55.960 54.398 1.562 1
1 1178 . 18 1 1 A 111 111 GLN CB C 111 29.470 28.354 1.116 1
1 1180 . 18 1 1 A 111 111 GLN N N 111 127.378 127.515 -0.137 1
1 1182 . 18 1 1 A 112 112 CYS H H 112 8.785 8.367 0.418 1
1 1183 . 18 1 1 A 112 112 CYS HA H 112 4.782 4.528 0.254 1
1 1186 . 18 1 1 A 112 112 CYS CA C 112 57.100 57.491 -0.391 1
1 1187 . 18 1 1 A 112 112 CYS CB C 112 33.700 28.848 4.852 1
1 1188 . 18 1 1 A 112 112 CYS N N 112 122.300 123.702 -1.402 1
1 1189 . 18 1 1 A 113 113 PHE H H 113 8.838 8.433 0.405 1
1 1190 . 18 1 1 A 113 113 PHE HA H 113 5.154 5.602 -0.448 1
1 1197 . 18 1 1 A 113 113 PHE CA C 113 58.650 56.589 2.061 1
1 1198 . 18 1 1 A 113 113 PHE CB C 113 40.210 41.959 -1.749 1
1 1201 . 18 1 1 A 113 113 PHE N N 113 118.974 118.418 0.556 1
1 1202 . 18 1 1 A 114 114 VAL H H 114 9.079 8.882 0.197 1
1 1203 . 18 1 1 A 114 114 VAL HA H 114 4.472 4.893 -0.421 1
1 1211 . 18 1 1 A 114 114 VAL CA C 114 60.650 60.100 0.550 1
1 1212 . 18 1 1 A 114 114 VAL CB C 114 35.970 35.265 0.705 1
1 1215 . 18 1 1 A 114 114 VAL N N 114 121.660 116.790 4.870 1
1 1216 . 18 1 1 A 115 115 TYR H H 115 9.672 8.829 0.843 1
1 1217 . 18 1 1 A 115 115 TYR HA H 115 4.988 4.912 0.076 1
1 1224 . 18 1 1 A 115 115 TYR CA C 115 59.240 58.848 0.392 1
1 1225 . 18 1 1 A 115 115 TYR CB C 115 36.925 39.294 -2.369 1
1 1228 . 18 1 1 A 115 115 TYR N N 115 127.830 126.125 1.705 1
1 1229 . 18 1 1 A 116 116 THR H H 116 9.061 9.194 -0.133 1
1 1230 . 18 1 1 A 116 116 THR HA H 116 5.435 5.383 0.052 1
1 1235 . 18 1 1 A 116 116 THR CA C 116 60.130 60.195 -0.065 1
1 1236 . 18 1 1 A 116 116 THR CB C 116 71.910 72.170 -0.260 1
1 1238 . 18 1 1 A 116 116 THR N N 116 119.130 114.131 4.999 1
1 1239 . 18 1 1 A 117 117 THR H H 117 8.707 8.519 0.188 1
1 1240 . 18 1 1 A 117 117 THR HA H 117 5.561 5.144 0.417 1
1 1245 . 18 1 1 A 117 117 THR CA C 117 60.160 60.368 -0.208 1
1 1246 . 18 1 1 A 117 117 THR CB C 117 70.170 71.235 -1.065 1
1 1248 . 18 1 1 A 117 117 THR N N 117 111.190 115.108 -3.918 1
1 1249 . 18 1 1 A 118 118 ALA H H 118 9.257 8.415 0.842 1
1 1250 . 18 1 1 A 118 118 ALA HA H 118 5.033 4.584 0.449 1
1 1254 . 18 1 1 A 118 118 ALA CA C 118 51.550 52.434 -0.884 1
1 1255 . 18 1 1 A 118 118 ALA CB C 118 20.050 20.126 -0.076 1
1 1256 . 18 1 1 A 118 118 ALA N N 118 132.010 127.962 4.048 1
1 1257 . 18 1 1 A 119 119 THR H H 119 8.628 7.439 1.189 1
1 1258 . 18 1 1 A 119 119 THR HA H 119 4.143 4.210 -0.067 1
1 1263 . 18 1 1 A 119 119 THR CA C 119 60.090 61.042 -0.952 1
1 1264 . 18 1 1 A 119 119 THR CB C 119 68.056 68.917 -0.861 1
1 1266 . 18 1 1 A 119 119 THR N N 119 114.350 111.835 2.515 1
1 1267 . 18 1 1 A 120 120 TYR H H 120 6.281 7.148 -0.867 1
1 1268 . 18 1 1 A 120 120 TYR HA H 120 3.594 4.086 -0.492 1
1 1273 . 18 1 1 A 120 120 TYR CA C 120 53.530 57.467 -3.937 1
1 1274 . 18 1 1 A 120 120 TYR CB C 120 40.072 39.221 0.851 1
1 1276 . 18 1 1 A 120 120 TYR N N 120 117.205 119.911 -2.706 1
1 1277 . 18 1 1 A 121 121 ALA HA H 121 5.030 4.233 0.797 1
1 1278 . 18 1 1 A 121 121 ALA CA C 121 51.536 50.539 0.997 1
1 1279 . 18 1 1 A 122 122 PRO HA H 122 4.059 4.444 -0.385 1
1 1285 . 18 1 1 A 122 122 PRO CA C 122 65.435 64.982 0.453 1
1 1286 . 18 1 1 A 122 122 PRO CB C 122 31.680 32.181 -0.501 1
1 1289 . 18 1 1 A 123 123 GLU H H 123 9.336 9.150 0.186 1
1 1290 . 18 1 1 A 123 123 GLU HA H 123 4.169 4.557 -0.388 1
1 1294 . 18 1 1 A 123 123 GLU CA C 123 59.100 59.285 -0.185 1
1 1295 . 18 1 1 A 123 123 GLU CB C 123 27.940 28.873 -0.933 1
1 1297 . 18 1 1 A 123 123 GLU N N 123 115.528 116.059 -0.531 1
1 1298 . 18 1 1 A 124 124 TRP H H 124 8.560 7.610 0.950 1
1 1299 . 18 1 1 A 124 124 TRP HA H 124 4.671 4.711 -0.040 1
1 1308 . 18 1 1 A 124 124 TRP CA C 124 57.370 59.410 -2.040 1
1 1309 . 18 1 1 A 124 124 TRP CB C 124 28.310 28.656 -0.346 1
1 1315 . 18 1 1 A 124 124 TRP N N 124 123.431 119.561 3.870 1
1 1317 . 18 1 1 A 125 125 LEU H H 125 7.378 8.010 -0.632 1
1 1318 . 18 1 1 A 125 125 LEU HA H 125 4.065 4.072 -0.007 1
1 1328 . 18 1 1 A 125 125 LEU CA C 125 56.060 57.755 -1.695 1
1 1329 . 18 1 1 A 125 125 LEU CB C 125 41.220 41.694 -0.474 1
1 1333 . 18 1 1 A 125 125 LEU N N 125 113.660 121.268 -7.608 1
1 1334 . 18 1 1 A 126 126 PHE H H 126 7.415 7.660 -0.245 1
1 1335 . 18 1 1 A 126 126 PHE HA H 126 4.640 4.378 0.262 1
1 1342 . 18 1 1 A 126 126 PHE CA C 126 56.940 60.281 -3.341 1
1 1343 . 18 1 1 A 126 126 PHE CB C 126 38.670 39.558 -0.888 1
1 1346 . 18 1 1 A 126 126 PHE N N 126 116.360 115.511 0.849 1
1 1347 . 18 1 1 A 127 127 LEU H H 127 7.168 7.601 -0.433 1
1 1348 . 18 1 1 A 127 127 LEU HA H 127 4.529 4.430 0.099 1
1 1358 . 18 1 1 A 127 127 LEU CA C 127 53.580 53.866 -0.286 1
1 1359 . 18 1 1 A 127 127 LEU CB C 127 40.832 41.157 -0.325 1
1 1363 . 18 1 1 A 127 127 LEU N N 127 122.990 120.951 2.039 1
1 1364 . 18 1 1 A 128 128 PRO HA H 128 3.986 4.350 -0.364 1
1 1371 . 18 1 1 A 128 128 PRO CA C 128 63.140 62.234 0.906 1
1 1372 . 18 1 1 A 128 128 PRO CB C 128 31.993 32.163 -0.170 1
1 1375 . 18 1 1 A 129 129 TYR H H 129 8.070 8.222 -0.152 1
1 1376 . 18 1 1 A 129 129 TYR HA H 129 5.529 5.548 -0.019 1
1 1383 . 18 1 1 A 129 129 TYR CA C 129 52.486 57.612 -5.126 1
1 1384 . 18 1 1 A 129 129 TYR CB C 129 36.760 41.265 -4.505 1
1 1387 . 18 1 1 A 129 129 TYR N N 129 120.100 120.060 0.040 1
1 1388 . 18 1 1 A 130 130 HIS H H 130 9.193 8.680 0.513 1
1 1389 . 18 1 1 A 130 130 HIS HA H 130 4.733 5.087 -0.354 1
1 1393 . 18 1 1 A 130 130 HIS CA C 130 55.920 55.099 0.821 1
1 1394 . 18 1 1 A 130 130 HIS CB C 130 32.908 34.252 -1.344 1
1 1396 . 18 1 1 A 130 130 HIS N N 130 121.985 118.998 2.987 1
1 1397 . 18 1 1 A 131 131 GLU H H 131 9.093 9.112 -0.019 1
1 1398 . 18 1 1 A 131 131 GLU HA H 131 4.277 4.630 -0.353 1
1 1402 . 18 1 1 A 131 131 GLU CA C 131 58.110 56.881 1.229 1
1 1403 . 18 1 1 A 131 131 GLU CB C 131 30.700 32.645 -1.945 1
1 1405 . 18 1 1 A 131 131 GLU N N 131 122.150 121.780 0.370 1
1 1406 . 18 1 1 A 132 132 SER H H 132 7.621 7.916 -0.295 1
1 1407 . 18 1 1 A 132 132 SER HA H 132 4.686 5.053 -0.367 1
1 1410 . 18 1 1 A 132 132 SER CA C 132 56.340 57.639 -1.299 1
1 1411 . 18 1 1 A 132 132 SER CB C 132 65.050 66.124 -1.074 1
1 1412 . 18 1 1 A 132 132 SER N N 132 108.030 112.742 -4.712 1
1 1413 . 18 1 1 A 133 133 TYR H H 133 8.667 8.811 -0.144 1
1 1414 . 18 1 1 A 133 133 TYR HA H 133 4.564 5.369 -0.805 1
1 1419 . 18 1 1 A 133 133 TYR CA C 133 57.910 56.526 1.384 1
1 1420 . 18 1 1 A 133 133 TYR CB C 133 40.720 41.886 -1.166 1
1 1422 . 18 1 1 A 133 133 TYR N N 133 121.977 121.736 0.241 1
1 1423 . 18 1 1 A 134 134 ASP H H 134 7.303 8.397 -1.094 1
1 1424 . 18 1 1 A 134 134 ASP HA H 134 3.944 4.798 -0.854 1
1 1427 . 18 1 1 A 134 134 ASP CA C 134 52.540 54.198 -1.658 1
1 1428 . 18 1 1 A 134 134 ASP CB C 134 42.900 44.410 -1.510 1
1 1429 . 18 1 1 A 134 134 ASP N N 134 127.820 127.524 0.296 1
1 1430 . 18 1 1 A 135 135 SER H H 135 9.392 8.608 0.784 1
1 1431 . 18 1 1 A 135 135 SER HA H 135 3.945 4.329 -0.384 1
1 1434 . 18 1 1 A 135 135 SER CA C 135 61.770 59.402 2.368 1
1 1435 . 18 1 1 A 135 135 SER CB C 135 63.561 63.220 0.341 1
1 1436 . 18 1 1 A 135 135 SER N N 135 127.670 120.942 6.728 1
1 1437 . 18 1 1 A 136 136 GLU H H 136 7.546 8.192 -0.646 1
1 1438 . 18 1 1 A 136 136 GLU HA H 136 4.233 4.639 -0.406 1
1 1443 . 18 1 1 A 136 136 GLU CA C 136 54.796 56.296 -1.500 1
1 1444 . 18 1 1 A 136 136 GLU CB C 136 28.420 30.577 -2.157 1
1 1446 . 18 1 1 A 136 136 GLU N N 136 113.107 118.765 -5.658 1
1 1447 . 18 1 1 A 137 137 GLY H H 137 7.241 8.028 -0.787 1
1 1448 . 18 1 1 A 137 137 GLY HA2 H 137 3.994 3.992 0.002 1
1 1449 . 18 1 1 A 137 137 GLY HA3 H 137 3.503 4.036 -0.533 1
1 1450 . 18 1 1 A 137 137 GLY CA C 137 44.880 44.189 0.691 1
1 1451 . 18 1 1 A 137 137 GLY N N 137 104.690 108.901 -4.211 1
1 1452 . 18 1 1 A 138 138 PRO HA H 138 4.211 4.239 -0.028 1
1 1459 . 18 1 1 A 138 138 PRO CA C 138 64.830 64.535 0.295 1
1 1460 . 18 1 1 A 138 138 PRO CB C 138 31.180 31.643 -0.463 1
1 1463 . 18 1 1 A 139 139 HIS H H 139 6.414 7.078 -0.664 1
1 1464 . 18 1 1 A 139 139 HIS HA H 139 4.299 4.518 -0.219 1
1 1467 . 18 1 1 A 139 139 HIS CA C 139 55.080 57.749 -2.669 1
1 1468 . 18 1 1 A 139 139 HIS CB C 139 30.260 30.128 0.132 1
1 1470 . 18 1 1 A 139 139 HIS N N 139 116.498 116.176 0.322 1
1 1471 . 18 1 1 A 140 140 GLY H H 140 7.082 7.697 -0.615 1
1 1472 . 18 1 1 A 140 140 GLY HA2 H 140 3.919 3.899 0.020 1
1 1473 . 18 1 1 A 140 140 GLY HA3 H 140 3.721 3.917 -0.196 1
1 1474 . 18 1 1 A 140 140 GLY CA C 140 46.590 45.608 0.982 1
1 1475 . 18 1 1 A 140 140 GLY N N 140 108.485 107.736 0.749 1
1 1476 . 18 1 1 A 141 141 LEU HA H 141 4.451 4.539 -0.088 1
1 1483 . 18 1 1 A 141 141 LEU CA C 141 53.024 54.286 -1.262 1
1 1484 . 18 1 1 A 141 141 LEU CB C 141 39.500 42.039 -2.539 1
1 1487 . 18 1 1 A 142 142 ARG H H 142 7.472 8.783 -1.311 1
1 1488 . 18 1 1 A 142 142 ARG HA H 142 4.724 4.877 -0.153 1
1 1493 . 18 1 1 A 142 142 ARG CA C 142 55.940 54.167 1.773 1
1 1494 . 18 1 1 A 142 142 ARG CB C 142 31.070 32.892 -1.822 1
1 1497 . 18 1 1 A 142 142 ARG N N 142 121.987 124.450 -2.463 1
1 1499 . 18 1 1 A 143 143 TYR H H 143 8.487 8.937 -0.450 1
1 1500 . 18 1 1 A 143 143 TYR HA H 143 4.474 4.687 -0.213 1
1 1507 . 18 1 1 A 143 143 TYR CA C 143 59.015 59.699 -0.684 1
1 1508 . 18 1 1 A 143 143 TYR CB C 143 38.720 39.376 -0.656 1
1 1511 . 18 1 1 A 143 143 TYR N N 143 127.896 124.096 3.800 1
1 1512 . 18 1 1 A 144 144 ASN H H 144 7.805 8.086 -0.281 1
1 1513 . 18 1 1 A 144 144 ASN HA H 144 4.892 5.291 -0.399 1
1 1518 . 18 1 1 A 144 144 ASN CA C 144 50.120 50.451 -0.331 1
1 1519 . 18 1 1 A 144 144 ASN CB C 144 39.360 39.483 -0.123 1
1 1520 . 18 1 1 A 144 144 ASN N N 144 125.629 126.367 -0.738 1
1 1522 . 18 1 1 A 145 145 PRO HA H 145 3.975 4.240 -0.265 1
1 1528 . 18 1 1 A 145 145 PRO CA C 145 63.140 64.038 -0.898 1
1 1529 . 18 1 1 A 145 145 PRO CB C 145 32.386 31.922 0.464 1
1 1532 . 18 1 1 A 146 146 ARG H H 146 8.055 7.936 0.119 1
1 1533 . 18 1 1 A 146 146 ARG HA H 146 3.918 4.559 -0.641 1
1 1541 . 18 1 1 A 146 146 ARG CA C 146 56.740 55.543 1.197 1
1 1542 . 18 1 1 A 146 146 ARG CB C 146 30.430 32.261 -1.831 1
1 1545 . 18 1 1 A 146 146 ARG N N 146 120.069 116.595 3.474 1
1 1547 . 18 1 1 A 147 147 GLU H H 147 8.440 8.360 0.080 1
1 1548 . 18 1 1 A 147 147 GLU HA H 147 4.167 3.809 0.358 1
1 1552 . 18 1 1 A 147 147 GLU CA C 147 56.710 59.355 -2.645 1
1 1553 . 18 1 1 A 147 147 GLU CB C 147 30.150 27.733 2.417 1
1 1555 . 18 1 1 A 147 147 GLU N N 147 120.760 118.047 2.713 1
1 1556 . 18 1 1 A 148 148 ASN H H 148 8.363 8.549 -0.186 1
1 1557 . 18 1 1 A 148 148 ASN HA H 148 4.652 4.916 -0.264 1
1 1562 . 18 1 1 A 148 148 ASN CA C 148 53.240 52.675 0.565 1
1 1563 . 18 1 1 A 148 148 ASN CB C 148 38.840 40.312 -1.472 1
1 1564 . 18 1 1 A 148 148 ASN N N 148 120.210 112.695 7.515 1
1 1 . 19 1 1 A 2 2 ALA HA H 2 4.182 4.546 -0.364 1
1 5 . 19 1 1 A 2 2 ALA CA C 2 51.510 51.731 -0.221 1
1 6 . 19 1 1 A 2 2 ALA CB C 2 20.090 20.566 -0.476 1
1 7 . 19 1 1 A 3 3 HIS H H 3 9.173 8.585 0.588 1
1 8 . 19 1 1 A 3 3 HIS HA H 3 5.839 4.940 0.899 1
1 12 . 19 1 1 A 3 3 HIS CA C 3 56.960 56.697 0.263 1
1 13 . 19 1 1 A 3 3 HIS CB C 3 32.820 30.828 1.992 1
1 15 . 19 1 1 A 3 3 HIS N N 3 118.801 122.259 -3.458 1
1 16 . 19 1 1 A 4 4 ILE H H 4 9.494 8.662 0.832 1
1 17 . 19 1 1 A 4 4 ILE HA H 4 5.508 5.188 0.320 1
1 27 . 19 1 1 A 4 4 ILE CA C 4 58.300 59.375 -1.075 1
1 28 . 19 1 1 A 4 4 ILE CB C 4 41.930 42.689 -0.759 1
1 32 . 19 1 1 A 4 4 ILE N N 4 118.202 116.151 2.051 1
1 33 . 19 1 1 A 5 5 PHE H H 5 8.815 8.577 0.238 1
1 34 . 19 1 1 A 5 5 PHE HA H 5 5.789 5.373 0.416 1
1 42 . 19 1 1 A 5 5 PHE CA C 5 55.153 56.614 -1.461 1
1 43 . 19 1 1 A 5 5 PHE CB C 5 40.740 43.178 -2.438 1
1 47 . 19 1 1 A 5 5 PHE N N 5 126.107 123.080 3.027 1
1 48 . 19 1 1 A 6 6 VAL H H 6 9.078 7.213 1.865 1
1 49 . 19 1 1 A 6 6 VAL HA H 6 4.357 4.814 -0.457 1
1 57 . 19 1 1 A 6 6 VAL CA C 6 59.157 58.937 0.220 1
1 58 . 19 1 1 A 6 6 VAL CB C 6 33.473 34.339 -0.866 1
1 61 . 19 1 1 A 6 6 VAL N N 6 118.658 121.978 -3.320 1
1 62 . 19 1 1 A 7 7 TYR H H 7 6.878 8.287 -1.409 1
1 63 . 19 1 1 A 7 7 TYR HA H 7 4.170 4.348 -0.178 1
1 66 . 19 1 1 A 7 7 TYR CB C 7 36.608 39.139 -2.531 1
1 67 . 19 1 1 A 7 7 TYR N N 7 116.860 128.735 -11.875 1
1 68 . 19 1 1 A 8 8 GLY HA2 H 8 4.195 3.938 0.257 1
1 69 . 19 1 1 A 8 8 GLY HA3 H 8 2.933 4.073 -1.140 1
1 70 . 19 1 1 A 8 8 GLY CA C 8 46.169 44.918 1.251 1
1 71 . 19 1 1 A 9 9 THR H H 9 7.618 7.409 0.209 1
1 72 . 19 1 1 A 9 9 THR HA H 9 3.831 4.357 -0.526 1
1 77 . 19 1 1 A 9 9 THR CA C 9 64.570 62.991 1.579 1
1 78 . 19 1 1 A 9 9 THR CB C 9 68.494 69.838 -1.344 1
1 80 . 19 1 1 A 9 9 THR N N 9 115.934 111.662 4.272 1
1 81 . 19 1 1 A 10 10 LEU H H 10 7.561 7.332 0.229 1
1 82 . 19 1 1 A 10 10 LEU HA H 10 3.673 4.340 -0.667 1
1 92 . 19 1 1 A 10 10 LEU CA C 10 55.950 53.582 2.368 1
1 93 . 19 1 1 A 10 10 LEU CB C 10 41.610 41.889 -0.279 1
1 97 . 19 1 1 A 10 10 LEU N N 10 120.151 120.311 -0.160 1
1 98 . 19 1 1 A 11 11 LYS H H 11 6.738 8.382 -1.644 1
1 99 . 19 1 1 A 11 11 LYS HA H 11 4.007 4.732 -0.725 1
1 103 . 19 1 1 A 11 11 LYS CA C 11 57.390 57.713 -0.323 1
1 104 . 19 1 1 A 11 11 LYS CB C 11 34.322 33.822 0.500 1
1 106 . 19 1 1 A 11 11 LYS N N 11 116.295 119.826 -3.531 1
1 107 . 19 1 1 A 12 12 ARG H H 12 9.432 8.556 0.876 1
1 108 . 19 1 1 A 12 12 ARG HA H 12 2.029 4.131 -2.102 1
1 115 . 19 1 1 A 12 12 ARG CA C 12 58.420 59.019 -0.599 1
1 116 . 19 1 1 A 12 12 ARG CB C 12 29.190 30.902 -1.712 1
1 119 . 19 1 1 A 12 12 ARG N N 12 120.863 119.989 0.874 1
1 120 . 19 1 1 A 13 13 GLY H H 13 8.048 7.409 0.639 1
1 121 . 19 1 1 A 13 13 GLY HA2 H 13 3.990 4.097 -0.107 1
1 122 . 19 1 1 A 13 13 GLY HA3 H 13 3.538 4.099 -0.561 1
1 123 . 19 1 1 A 13 13 GLY CA C 13 45.490 45.279 0.211 1
1 124 . 19 1 1 A 13 13 GLY N N 13 111.120 104.306 6.814 1
1 125 . 19 1 1 A 14 14 GLN H H 14 7.904 7.705 0.199 1
1 126 . 19 1 1 A 14 14 GLN HA H 14 4.682 4.787 -0.105 1
1 133 . 19 1 1 A 14 14 GLN CA C 14 53.440 53.615 -0.175 1
1 134 . 19 1 1 A 14 14 GLN CB C 14 27.115 29.668 -2.553 1
1 136 . 19 1 1 A 14 14 GLN N N 14 117.811 117.125 0.686 1
1 138 . 19 1 1 A 15 15 PRO HA H 15 4.342 4.694 -0.352 1
1 145 . 19 1 1 A 15 15 PRO CA C 15 66.870 62.742 4.128 1
1 146 . 19 1 1 A 15 15 PRO CB C 15 34.060 29.505 4.555 1
1 149 . 19 1 1 A 16 16 ASN H H 16 8.287 8.835 -0.548 1
1 150 . 19 1 1 A 16 16 ASN HA H 16 5.356 5.116 0.240 1
1 155 . 19 1 1 A 16 16 ASN CA C 16 52.230 54.172 -1.942 1
1 156 . 19 1 1 A 16 16 ASN CB C 16 39.030 41.265 -2.235 1
1 157 . 19 1 1 A 16 16 ASN N N 16 110.638 120.293 -9.655 1
1 159 . 19 1 1 A 17 17 HIS H H 17 7.819 7.785 0.034 1
1 160 . 19 1 1 A 17 17 HIS HA H 17 3.815 4.030 -0.215 1
1 164 . 19 1 1 A 17 17 HIS CA C 17 60.140 60.180 -0.040 1
1 165 . 19 1 1 A 17 17 HIS CB C 17 27.680 30.094 -2.414 1
1 167 . 19 1 1 A 17 17 HIS N N 17 121.058 120.861 0.197 1
1 168 . 19 1 1 A 18 18 LYS H H 18 8.326 8.183 0.143 1
1 169 . 19 1 1 A 18 18 LYS HA H 18 3.695 4.037 -0.342 1
1 175 . 19 1 1 A 18 18 LYS CA C 18 58.890 58.901 -0.011 1
1 176 . 19 1 1 A 18 18 LYS CB C 18 31.070 32.089 -1.019 1
1 180 . 19 1 1 A 18 18 LYS N N 18 112.812 117.276 -4.464 1
1 181 . 19 1 1 A 19 19 VAL H H 19 7.373 7.827 -0.454 1
1 182 . 19 1 1 A 19 19 VAL HA H 19 3.816 3.889 -0.073 1
1 190 . 19 1 1 A 19 19 VAL CA C 19 64.960 64.992 -0.032 1
1 191 . 19 1 1 A 19 19 VAL CB C 19 30.960 31.339 -0.379 1
1 194 . 19 1 1 A 19 19 VAL N N 19 117.691 115.834 1.857 1
1 195 . 19 1 1 A 20 20 MET H H 20 7.329 7.983 -0.654 1
1 196 . 19 1 1 A 20 20 MET HA H 20 3.951 4.330 -0.379 1
1 204 . 19 1 1 A 20 20 MET CA C 20 55.560 55.177 0.383 1
1 205 . 19 1 1 A 20 20 MET CB C 20 31.460 31.772 -0.312 1
1 208 . 19 1 1 A 20 20 MET N N 20 114.870 118.026 -3.156 1
1 209 . 19 1 1 A 21 21 LEU H H 21 6.718 7.791 -1.073 1
1 210 . 19 1 1 A 21 21 LEU HA H 21 4.091 4.515 -0.424 1
1 220 . 19 1 1 A 21 21 LEU CA C 21 54.140 53.953 0.187 1
1 221 . 19 1 1 A 21 21 LEU CB C 21 42.310 41.757 0.553 1
1 225 . 19 1 1 A 21 21 LEU N N 21 116.021 118.306 -2.285 1
1 226 . 19 1 1 A 22 22 ASP H H 22 6.399 7.671 -1.272 1
1 227 . 19 1 1 A 22 22 ASP HA H 22 4.288 4.780 -0.492 1
1 229 . 19 1 1 A 22 22 ASP CA C 22 52.776 52.912 -0.136 1
1 230 . 19 1 1 A 22 22 ASP CB C 22 40.180 41.756 -1.576 1
1 231 . 19 1 1 A 22 22 ASP N N 22 117.972 120.469 -2.497 1
1 232 . 19 1 1 A 23 23 HIS H H 23 8.601 8.739 -0.138 1
1 233 . 19 1 1 A 23 23 HIS HA H 23 4.848 4.210 0.638 1
1 237 . 19 1 1 A 23 23 HIS CA C 23 55.800 58.930 -3.130 1
1 238 . 19 1 1 A 23 23 HIS CB C 23 27.860 30.223 -2.363 1
1 240 . 19 1 1 A 23 23 HIS N N 23 123.395 125.819 -2.424 1
1 241 . 19 1 1 A 24 24 SER H H 24 8.526 7.828 0.698 1
1 242 . 19 1 1 A 24 24 SER HA H 24 4.105 4.016 0.089 1
1 244 . 19 1 1 A 24 24 SER CA C 24 60.870 60.503 0.367 1
1 245 . 19 1 1 A 24 24 SER CB C 24 62.510 62.945 -0.435 1
1 246 . 19 1 1 A 24 24 SER N N 24 117.035 114.050 2.985 1
1 247 . 19 1 1 A 25 25 HIS H H 25 7.450 7.623 -0.173 1
1 248 . 19 1 1 A 25 25 HIS HA H 25 4.494 3.966 0.528 1
1 252 . 19 1 1 A 25 25 HIS CA C 25 53.900 55.576 -1.676 1
1 253 . 19 1 1 A 25 25 HIS CB C 25 28.320 28.961 -0.641 1
1 255 . 19 1 1 A 25 25 HIS N N 25 117.560 117.141 0.419 1
1 256 . 19 1 1 A 26 26 GLY H H 26 6.926 7.083 -0.157 1
1 257 . 19 1 1 A 26 26 GLY HA2 H 26 3.587 3.776 -0.189 1
1 258 . 19 1 1 A 26 26 GLY HA3 H 26 4.362 3.906 0.456 1
1 259 . 19 1 1 A 26 26 GLY CA C 26 43.730 43.619 0.111 1
1 260 . 19 1 1 A 26 26 GLY N N 26 103.120 106.476 -3.356 1
1 261 . 19 1 1 A 27 27 LEU H H 27 8.579 8.262 0.317 1
1 262 . 19 1 1 A 27 27 LEU HA H 27 4.327 4.773 -0.446 1
1 271 . 19 1 1 A 27 27 LEU CA C 27 54.520 55.037 -0.517 1
1 272 . 19 1 1 A 27 27 LEU CB C 27 44.250 42.689 1.561 1
1 276 . 19 1 1 A 27 27 LEU N N 27 121.940 121.215 0.725 1
1 277 . 19 1 1 A 28 28 ALA H H 28 7.776 8.602 -0.826 1
1 278 . 19 1 1 A 28 28 ALA HA H 28 5.231 5.294 -0.063 1
1 282 . 19 1 1 A 28 28 ALA CA C 28 50.990 51.209 -0.219 1
1 283 . 19 1 1 A 28 28 ALA CB C 28 22.580 20.858 1.722 1
1 284 . 19 1 1 A 28 28 ALA N N 28 123.020 128.943 -5.923 1
1 285 . 19 1 1 A 29 29 ALA H H 29 9.231 9.247 -0.016 1
1 286 . 19 1 1 A 29 29 ALA HA H 29 4.857 5.232 -0.375 1
1 290 . 19 1 1 A 29 29 ALA CA C 29 50.661 50.257 0.404 1
1 291 . 19 1 1 A 29 29 ALA CB C 29 21.140 22.325 -1.185 1
1 292 . 19 1 1 A 29 29 ALA N N 29 125.760 126.639 -0.879 1
1 293 . 19 1 1 A 30 30 PHE H H 30 9.083 9.117 -0.034 1
1 294 . 19 1 1 A 30 30 PHE HA H 30 3.397 4.618 -1.221 1
1 301 . 19 1 1 A 30 30 PHE CA C 30 59.895 58.700 1.195 1
1 302 . 19 1 1 A 30 30 PHE CB C 30 38.810 39.275 -0.465 1
1 305 . 19 1 1 A 30 30 PHE N N 30 126.590 123.377 3.213 1
1 306 . 19 1 1 A 31 31 ARG H H 31 8.102 8.435 -0.333 1
1 307 . 19 1 1 A 31 31 ARG HA H 31 3.941 4.111 -0.170 1
1 314 . 19 1 1 A 31 31 ARG CA C 31 53.120 54.268 -1.148 1
1 315 . 19 1 1 A 31 31 ARG CB C 31 31.665 30.538 1.127 1
1 318 . 19 1 1 A 31 31 ARG N N 31 125.007 127.535 -2.528 1
1 320 . 19 1 1 A 32 32 GLY H H 32 5.465 6.683 -1.218 1
1 321 . 19 1 1 A 32 32 GLY HA2 H 32 3.264 3.483 -0.219 1
1 322 . 19 1 1 A 32 32 GLY HA3 H 32 4.670 3.741 0.929 1
1 323 . 19 1 1 A 32 32 GLY CA C 32 45.150 43.967 1.183 1
1 324 . 19 1 1 A 32 32 GLY N N 32 101.400 111.895 -10.495 1
1 325 . 19 1 1 A 33 33 ARG H H 33 8.345 8.418 -0.073 1
1 326 . 19 1 1 A 33 33 ARG HA H 33 5.158 5.190 -0.032 1
1 332 . 19 1 1 A 33 33 ARG CA C 33 54.924 54.421 0.503 1
1 333 . 19 1 1 A 33 33 ARG CB C 33 34.180 34.454 -0.274 1
1 336 . 19 1 1 A 33 33 ARG N N 33 116.822 119.945 -3.123 1
1 338 . 19 1 1 A 34 34 GLY H H 34 8.549 8.192 0.357 1
1 339 . 19 1 1 A 34 34 GLY HA2 H 34 5.154 4.353 0.801 1
1 340 . 19 1 1 A 34 34 GLY HA3 H 34 3.752 4.377 -0.625 1
1 341 . 19 1 1 A 34 34 GLY CA C 34 45.620 45.877 -0.257 1
1 342 . 19 1 1 A 34 34 GLY N N 34 107.400 108.194 -0.794 1
1 343 . 19 1 1 A 35 35 CYS H H 35 8.803 8.231 0.572 1
1 344 . 19 1 1 A 35 35 CYS HA H 35 5.893 5.564 0.329 1
1 347 . 19 1 1 A 35 35 CYS CA C 35 55.420 57.272 -1.852 1
1 348 . 19 1 1 A 35 35 CYS CB C 35 30.960 31.026 -0.066 1
1 349 . 19 1 1 A 35 35 CYS N N 35 117.781 117.506 0.275 1
1 350 . 19 1 1 A 36 36 THR H H 36 9.033 8.757 0.276 1
1 351 . 19 1 1 A 36 36 THR HA H 36 3.835 4.498 -0.663 1
1 356 . 19 1 1 A 36 36 THR CA C 36 64.160 61.209 2.951 1
1 357 . 19 1 1 A 36 36 THR CB C 36 68.200 68.450 -0.250 1
1 359 . 19 1 1 A 36 36 THR N N 36 117.973 114.806 3.167 1
1 360 . 19 1 1 A 37 37 VAL H H 37 7.545 8.385 -0.840 1
1 361 . 19 1 1 A 37 37 VAL HA H 37 3.709 3.659 0.050 1
1 369 . 19 1 1 A 37 37 VAL CA C 37 65.740 65.493 0.247 1
1 370 . 19 1 1 A 37 37 VAL CB C 37 32.410 31.430 0.980 1
1 373 . 19 1 1 A 37 37 VAL N N 37 121.706 122.804 -1.098 1
1 374 . 19 1 1 A 38 38 GLU H H 38 8.540 7.682 0.858 1
1 375 . 19 1 1 A 38 38 GLU HA H 38 4.264 4.156 0.108 1
1 380 . 19 1 1 A 38 38 GLU CA C 38 54.260 56.540 -2.280 1
1 381 . 19 1 1 A 38 38 GLU CB C 38 30.770 30.014 0.756 1
1 383 . 19 1 1 A 38 38 GLU N N 38 119.219 123.247 -4.028 1
1 384 . 19 1 1 A 39 39 SER H H 39 8.692 8.164 0.528 1
1 385 . 19 1 1 A 39 39 SER HA H 39 4.035 4.465 -0.430 1
1 388 . 19 1 1 A 39 39 SER CA C 39 57.370 59.690 -2.320 1
1 389 . 19 1 1 A 39 39 SER CB C 39 63.760 63.843 -0.083 1
1 390 . 19 1 1 A 39 39 SER N N 39 118.941 120.923 -1.982 1
1 391 . 19 1 1 A 40 40 PHE H H 40 8.302 9.035 -0.733 1
1 392 . 19 1 1 A 40 40 PHE HA H 40 4.986 4.801 0.185 1
1 400 . 19 1 1 A 40 40 PHE CA C 40 57.320 55.577 1.743 1
1 401 . 19 1 1 A 40 40 PHE CB C 40 44.292 42.632 1.660 1
1 405 . 19 1 1 A 40 40 PHE N N 40 119.300 122.269 -2.969 1
1 406 . 19 1 1 A 41 41 PRO HA H 41 3.828 4.137 -0.309 1
1 413 . 19 1 1 A 41 41 PRO CA C 41 62.270 61.928 0.342 1
1 414 . 19 1 1 A 41 41 PRO CB C 41 30.790 29.676 1.114 1
1 417 . 19 1 1 A 42 42 LEU H H 42 7.964 7.989 -0.025 1
1 418 . 19 1 1 A 42 42 LEU HA H 42 5.352 4.810 0.542 1
1 427 . 19 1 1 A 42 42 LEU CA C 42 53.830 54.721 -0.891 1
1 428 . 19 1 1 A 42 42 LEU CB C 42 42.380 42.569 -0.189 1
1 431 . 19 1 1 A 42 42 LEU N N 42 129.948 123.485 6.463 1
1 432 . 19 1 1 A 43 43 VAL H H 43 8.607 8.927 -0.320 1
1 433 . 19 1 1 A 43 43 VAL HA H 43 5.296 5.072 0.224 1
1 441 . 19 1 1 A 43 43 VAL CA C 43 58.040 59.816 -1.776 1
1 442 . 19 1 1 A 43 43 VAL CB C 43 35.220 34.848 0.372 1
1 445 . 19 1 1 A 43 43 VAL N N 43 117.190 119.676 -2.486 1
1 446 . 19 1 1 A 44 44 ILE H H 44 9.056 8.910 0.146 1
1 447 . 19 1 1 A 44 44 ILE HA H 44 4.426 4.455 -0.029 1
1 457 . 19 1 1 A 44 44 ILE CA C 44 61.156 60.524 0.632 1
1 458 . 19 1 1 A 44 44 ILE CB C 44 38.544 37.191 1.353 1
1 462 . 19 1 1 A 44 44 ILE N N 44 122.963 126.755 -3.792 1
1 463 . 19 1 1 A 45 45 ALA H H 45 8.701 7.822 0.879 1
1 464 . 19 1 1 A 45 45 ALA HA H 45 4.626 4.779 -0.153 1
1 468 . 19 1 1 A 45 45 ALA CA C 45 51.430 50.625 0.805 1
1 469 . 19 1 1 A 45 45 ALA CB C 45 21.670 21.154 0.516 1
1 470 . 19 1 1 A 45 45 ALA N N 45 126.347 129.895 -3.548 1
1 471 . 19 1 1 A 46 46 GLY H H 46 8.486 8.538 -0.052 1
1 472 . 19 1 1 A 46 46 GLY HA2 H 46 4.587 4.243 0.344 1
1 473 . 19 1 1 A 46 46 GLY HA3 H 46 4.084 4.250 -0.166 1
1 474 . 19 1 1 A 46 46 GLY CA C 46 44.500 44.624 -0.124 1
1 475 . 19 1 1 A 46 46 GLY N N 46 108.262 106.895 1.367 1
1 476 . 19 1 1 A 47 47 GLU H H 47 8.938 8.955 -0.017 1
1 477 . 19 1 1 A 47 47 GLU HA H 47 4.003 4.332 -0.329 1
1 480 . 19 1 1 A 47 47 GLU CA C 47 58.820 57.623 1.197 1
1 481 . 19 1 1 A 47 47 GLU CB C 47 29.500 30.247 -0.747 1
1 482 . 19 1 1 A 47 47 GLU N N 47 118.010 122.174 -4.164 1
1 483 . 19 1 1 A 48 48 HIS H H 48 8.742 7.824 0.918 1
1 484 . 19 1 1 A 48 48 HIS HA H 48 4.704 4.596 0.108 1
1 488 . 19 1 1 A 48 48 HIS CA C 48 55.130 55.770 -0.640 1
1 489 . 19 1 1 A 48 48 HIS CB C 48 29.110 30.129 -1.019 1
1 491 . 19 1 1 A 48 48 HIS N N 48 115.306 114.300 1.006 1
1 492 . 19 1 1 A 49 49 ASN H H 49 7.810 8.044 -0.234 1
1 493 . 19 1 1 A 49 49 ASN HA H 49 3.878 4.144 -0.266 1
1 498 . 19 1 1 A 49 49 ASN CA C 49 53.876 54.178 -0.302 1
1 499 . 19 1 1 A 49 49 ASN CB C 49 36.030 36.809 -0.779 1
1 500 . 19 1 1 A 49 49 ASN N N 49 114.919 114.144 0.775 1
1 502 . 19 1 1 A 50 50 ILE H H 50 7.046 7.308 -0.262 1
1 503 . 19 1 1 A 50 50 ILE HA H 50 4.022 4.357 -0.335 1
1 513 . 19 1 1 A 50 50 ILE CA C 50 59.430 57.813 1.617 1
1 514 . 19 1 1 A 50 50 ILE CB C 50 41.326 38.147 3.179 1
1 518 . 19 1 1 A 50 50 ILE N N 50 120.995 119.852 1.143 1
1 519 . 19 1 1 A 51 51 PRO HA H 51 5.194 4.273 0.921 1
1 521 . 19 1 1 A 51 51 PRO CA C 51 60.560 62.496 -1.936 1
1 522 . 19 1 1 A 51 51 PRO CB C 51 31.841 31.176 0.665 1
1 523 . 19 1 1 A 52 52 TRP H H 52 9.564 8.465 1.099 1
1 524 . 19 1 1 A 52 52 TRP HA H 52 4.805 5.039 -0.234 1
1 532 . 19 1 1 A 52 52 TRP CA C 52 56.550 57.100 -0.550 1
1 533 . 19 1 1 A 52 52 TRP CB C 52 32.300 31.016 1.284 1
1 539 . 19 1 1 A 52 52 TRP N N 52 123.070 125.193 -2.123 1
1 541 . 19 1 1 A 53 53 LEU H H 53 7.227 8.990 -1.763 1
1 542 . 19 1 1 A 53 53 LEU HA H 53 4.863 4.807 0.056 1
1 552 . 19 1 1 A 53 53 LEU CA C 53 53.790 54.151 -0.361 1
1 553 . 19 1 1 A 53 53 LEU CB C 53 42.250 43.566 -1.316 1
1 557 . 19 1 1 A 53 53 LEU N N 53 124.700 126.412 -1.712 1
1 558 . 19 1 1 A 54 54 LEU H H 54 9.021 8.395 0.626 1
1 559 . 19 1 1 A 54 54 LEU HA H 54 4.618 4.487 0.131 1
1 569 . 19 1 1 A 54 54 LEU CA C 54 54.030 54.773 -0.743 1
1 570 . 19 1 1 A 54 54 LEU CB C 54 40.360 42.268 -1.908 1
1 574 . 19 1 1 A 54 54 LEU N N 54 126.893 128.834 -1.941 1
1 575 . 19 1 1 A 55 55 TYR H H 55 8.884 8.911 -0.027 1
1 576 . 19 1 1 A 55 55 TYR HA H 55 4.562 4.763 -0.201 1
1 583 . 19 1 1 A 55 55 TYR CA C 55 58.420 56.723 1.697 1
1 584 . 19 1 1 A 55 55 TYR CB C 55 36.180 38.297 -2.117 1
1 587 . 19 1 1 A 55 55 TYR N N 55 123.430 125.927 -2.497 1
1 588 . 19 1 1 A 56 56 LEU H H 56 8.192 8.706 -0.514 1
1 589 . 19 1 1 A 56 56 LEU HA H 56 4.530 4.844 -0.314 1
1 598 . 19 1 1 A 56 56 LEU CA C 56 51.720 51.729 -0.009 1
1 599 . 19 1 1 A 56 56 LEU CB C 56 43.260 43.572 -0.312 1
1 602 . 19 1 1 A 56 56 LEU N N 56 130.832 128.760 2.072 1
1 603 . 19 1 1 A 57 57 PRO HA H 57 3.779 3.256 0.523 1
1 610 . 19 1 1 A 57 57 PRO CA C 57 62.240 63.065 -0.825 1
1 611 . 19 1 1 A 57 57 PRO CB C 57 31.130 31.100 0.030 1
1 614 . 19 1 1 A 58 58 GLY H H 58 8.908 8.575 0.333 1
1 615 . 19 1 1 A 58 58 GLY HA2 H 58 4.027 3.814 0.213 1
1 616 . 19 1 1 A 58 58 GLY HA3 H 58 3.433 3.833 -0.400 1
1 617 . 19 1 1 A 58 58 GLY CA C 58 44.860 45.453 -0.593 1
1 618 . 19 1 1 A 58 58 GLY N N 58 112.351 111.155 1.196 1
1 619 . 19 1 1 A 59 59 LYS H H 59 7.214 7.097 0.117 1
1 620 . 19 1 1 A 59 59 LYS HA H 59 4.386 4.669 -0.283 1
1 629 . 19 1 1 A 59 59 LYS CA C 59 53.760 54.799 -1.039 1
1 630 . 19 1 1 A 59 59 LYS CB C 59 34.590 35.687 -1.097 1
1 634 . 19 1 1 A 59 59 LYS N N 59 121.458 120.634 0.824 1
1 635 . 19 1 1 A 60 60 GLY H H 60 8.312 8.377 -0.065 1
1 636 . 19 1 1 A 60 60 GLY HA2 H 60 3.379 3.417 -0.038 1
1 637 . 19 1 1 A 60 60 GLY HA3 H 60 3.229 3.442 -0.213 1
1 638 . 19 1 1 A 60 60 GLY CA C 60 45.350 45.477 -0.127 1
1 639 . 19 1 1 A 60 60 GLY N N 60 103.990 113.483 -9.493 1
1 640 . 19 1 1 A 61 61 HIS H H 61 7.880 8.138 -0.258 1
1 641 . 19 1 1 A 61 61 HIS HA H 61 4.868 5.372 -0.504 1
1 645 . 19 1 1 A 61 61 HIS CA C 61 53.920 54.443 -0.523 1
1 646 . 19 1 1 A 61 61 HIS CB C 61 33.020 34.315 -1.295 1
1 648 . 19 1 1 A 61 61 HIS N N 61 121.221 119.817 1.404 1
1 649 . 19 1 1 A 62 62 CYS H H 62 8.760 8.697 0.063 1
1 650 . 19 1 1 A 62 62 CYS HA H 62 4.248 4.873 -0.625 1
1 653 . 19 1 1 A 62 62 CYS CA C 62 61.730 57.723 4.007 1
1 654 . 19 1 1 A 62 62 CYS CB C 62 26.560 27.260 -0.700 1
1 655 . 19 1 1 A 62 62 CYS N N 62 121.842 121.000 0.842 1
1 656 . 19 1 1 A 63 63 VAL H H 63 8.109 8.542 -0.433 1
1 657 . 19 1 1 A 63 63 VAL HA H 63 4.869 4.459 0.410 1
1 665 . 19 1 1 A 63 63 VAL CA C 63 62.210 63.397 -1.187 1
1 666 . 19 1 1 A 63 63 VAL CB C 63 34.780 31.368 3.412 1
1 669 . 19 1 1 A 63 63 VAL N N 63 127.029 126.287 0.742 1
1 670 . 19 1 1 A 64 64 THR H H 64 8.453 8.304 0.149 1
1 671 . 19 1 1 A 64 64 THR HA H 64 5.349 4.976 0.373 1
1 676 . 19 1 1 A 64 64 THR CA C 64 61.100 61.344 -0.244 1
1 677 . 19 1 1 A 64 64 THR CB C 64 70.790 70.016 0.774 1
1 679 . 19 1 1 A 64 64 THR N N 64 116.830 119.167 -2.337 1
1 680 . 19 1 1 A 65 65 GLY H H 65 8.663 8.816 -0.153 1
1 681 . 19 1 1 A 65 65 GLY HA2 H 65 4.085 4.056 0.029 1
1 682 . 19 1 1 A 65 65 GLY HA3 H 65 3.480 4.315 -0.835 1
1 683 . 19 1 1 A 65 65 GLY CA C 65 46.570 46.061 0.509 1
1 684 . 19 1 1 A 65 65 GLY N N 65 107.680 109.336 -1.656 1
1 685 . 19 1 1 A 66 66 GLU H H 66 8.574 8.177 0.397 1
1 686 . 19 1 1 A 66 66 GLU HA H 66 5.150 5.140 0.010 1
1 689 . 19 1 1 A 66 66 GLU CA C 66 54.450 54.865 -0.415 1
1 690 . 19 1 1 A 66 66 GLU CB C 66 37.328 33.588 3.740 1
1 691 . 19 1 1 A 66 66 GLU N N 66 120.921 120.116 0.805 1
1 692 . 19 1 1 A 67 67 ILE H H 67 8.623 8.113 0.510 1
1 693 . 19 1 1 A 67 67 ILE HA H 67 5.149 4.839 0.310 1
1 703 . 19 1 1 A 67 67 ILE CA C 67 60.180 60.014 0.166 1
1 704 . 19 1 1 A 67 67 ILE CB C 67 40.210 39.956 0.254 1
1 708 . 19 1 1 A 67 67 ILE N N 67 121.340 123.631 -2.291 1
1 709 . 19 1 1 A 68 68 TYR H H 68 9.196 9.141 0.055 1
1 710 . 19 1 1 A 68 68 TYR HA H 68 5.001 5.250 -0.249 1
1 717 . 19 1 1 A 68 68 TYR CA C 68 56.270 56.553 -0.283 1
1 718 . 19 1 1 A 68 68 TYR CB C 68 41.480 41.513 -0.033 1
1 721 . 19 1 1 A 68 68 TYR N N 68 123.650 125.983 -2.333 1
1 722 . 19 1 1 A 69 69 GLU H H 69 9.302 9.023 0.279 1
1 723 . 19 1 1 A 69 69 GLU HA H 69 5.066 4.553 0.513 1
1 728 . 19 1 1 A 69 69 GLU CA C 69 55.180 57.304 -2.124 1
1 729 . 19 1 1 A 69 69 GLU CB C 69 31.420 30.507 0.913 1
1 731 . 19 1 1 A 69 69 GLU N N 69 124.090 124.690 -0.600 1
1 732 . 19 1 1 A 70 70 VAL H H 70 8.908 8.810 0.098 1
1 733 . 19 1 1 A 70 70 VAL HA H 70 5.556 5.314 0.242 1
1 741 . 19 1 1 A 70 70 VAL CA C 70 57.780 58.828 -1.048 1
1 742 . 19 1 1 A 70 70 VAL CB C 70 35.400 35.161 0.239 1
1 745 . 19 1 1 A 70 70 VAL N N 70 119.540 120.568 -1.028 1
1 746 . 19 1 1 A 71 71 ASP H H 71 7.939 8.277 -0.338 1
1 747 . 19 1 1 A 71 71 ASP HA H 71 4.909 4.991 -0.082 1
1 750 . 19 1 1 A 71 71 ASP CA C 71 51.240 52.791 -1.551 1
1 751 . 19 1 1 A 71 71 ASP CB C 71 42.210 43.063 -0.853 1
1 752 . 19 1 1 A 71 71 ASP N N 71 120.720 121.280 -0.560 1
1 753 . 19 1 1 A 72 72 GLU H H 72 8.364 8.808 -0.444 1
1 754 . 19 1 1 A 72 72 GLU HA H 72 3.869 4.005 -0.136 1
1 757 . 19 1 1 A 72 72 GLU CA C 72 59.775 59.662 0.113 1
1 758 . 19 1 1 A 72 72 GLU CB C 72 29.140 29.306 -0.166 1
1 760 . 19 1 1 A 72 72 GLU N N 72 117.910 121.602 -3.692 1
1 761 . 19 1 1 A 73 73 GLN H H 73 7.960 8.078 -0.118 1
1 762 . 19 1 1 A 73 73 GLN HA H 73 3.899 4.102 -0.203 1
1 767 . 19 1 1 A 73 73 GLN CA C 73 59.570 58.832 0.738 1
1 768 . 19 1 1 A 73 73 GLN CB C 73 27.810 28.242 -0.432 1
1 770 . 19 1 1 A 73 73 GLN N N 73 119.617 120.218 -0.601 1
1 772 . 19 1 1 A 74 74 MET H H 74 8.489 7.878 0.611 1
1 773 . 19 1 1 A 74 74 MET HA H 74 4.766 4.465 0.301 1
1 780 . 19 1 1 A 74 74 MET CA C 74 56.790 58.452 -1.662 1
1 781 . 19 1 1 A 74 74 MET CB C 74 31.900 32.535 -0.635 1
1 784 . 19 1 1 A 74 74 MET N N 74 121.800 119.331 2.469 1
1 785 . 19 1 1 A 75 75 LEU H H 75 8.162 8.077 0.085 1
1 786 . 19 1 1 A 75 75 LEU HA H 75 3.897 4.120 -0.223 1
1 796 . 19 1 1 A 75 75 LEU CA C 75 58.230 57.912 0.318 1
1 797 . 19 1 1 A 75 75 LEU CB C 75 42.160 41.714 0.446 1
1 801 . 19 1 1 A 75 75 LEU N N 75 120.230 121.460 -1.230 1
1 802 . 19 1 1 A 76 76 ARG H H 76 7.824 8.401 -0.577 1
1 803 . 19 1 1 A 76 76 ARG HA H 76 3.952 4.024 -0.072 1
1 811 . 19 1 1 A 76 76 ARG CA C 76 59.270 59.586 -0.316 1
1 812 . 19 1 1 A 76 76 ARG CB C 76 29.930 30.039 -0.109 1
1 815 . 19 1 1 A 76 76 ARG N N 76 116.540 119.667 -3.127 1
1 817 . 19 1 1 A 77 77 PHE H H 77 8.137 8.569 -0.432 1
1 818 . 19 1 1 A 77 77 PHE HA H 77 4.085 4.198 -0.113 1
1 825 . 19 1 1 A 77 77 PHE CA C 77 61.980 61.333 0.647 1
1 826 . 19 1 1 A 77 77 PHE CB C 77 38.530 39.148 -0.618 1
1 829 . 19 1 1 A 77 77 PHE N N 77 120.650 120.500 0.150 1
1 830 . 19 1 1 A 78 78 LEU H H 78 9.071 9.012 0.059 1
1 831 . 19 1 1 A 78 78 LEU HA H 78 3.629 4.004 -0.375 1
1 841 . 19 1 1 A 78 78 LEU CA C 78 57.730 57.531 0.199 1
1 842 . 19 1 1 A 78 78 LEU CB C 78 41.420 41.304 0.116 1
1 846 . 19 1 1 A 78 78 LEU N N 78 122.360 119.333 3.027 1
1 847 . 19 1 1 A 79 79 ASP H H 79 8.506 8.069 0.437 1
1 848 . 19 1 1 A 79 79 ASP HA H 79 4.320 4.668 -0.348 1
1 851 . 19 1 1 A 79 79 ASP CA C 79 57.190 56.728 0.462 1
1 852 . 19 1 1 A 79 79 ASP CB C 79 39.420 41.084 -1.664 1
1 853 . 19 1 1 A 79 79 ASP N N 79 120.070 119.895 0.175 1
1 854 . 19 1 1 A 80 80 ASP H H 80 7.154 7.847 -0.693 1
1 855 . 19 1 1 A 80 80 ASP HA H 80 4.501 4.369 0.132 1
1 858 . 19 1 1 A 80 80 ASP CA C 80 56.700 56.915 -0.215 1
1 859 . 19 1 1 A 80 80 ASP CB C 80 40.660 41.095 -0.435 1
1 860 . 19 1 1 A 80 80 ASP N N 80 118.890 119.351 -0.461 1
1 861 . 19 1 1 A 81 81 PHE H H 81 8.791 8.010 0.781 1
1 862 . 19 1 1 A 81 81 PHE HA H 81 3.659 3.805 -0.146 1
1 867 . 19 1 1 A 81 81 PHE CA C 81 61.640 61.112 0.528 1
1 868 . 19 1 1 A 81 81 PHE CB C 81 40.210 39.072 1.138 1
1 870 . 19 1 1 A 81 81 PHE N N 81 125.745 120.090 5.655 1
1 871 . 19 1 1 A 82 82 GLU H H 82 8.209 7.912 0.297 1
1 872 . 19 1 1 A 82 82 GLU HA H 82 3.956 4.048 -0.092 1
1 875 . 19 1 1 A 82 82 GLU CA C 82 55.060 55.753 -0.693 1
1 876 . 19 1 1 A 82 82 GLU CB C 82 28.910 28.906 0.004 1
1 878 . 19 1 1 A 82 82 GLU N N 82 115.707 116.489 -0.782 1
1 879 . 19 1 1 A 83 83 ASP H H 83 7.615 7.880 -0.265 1
1 880 . 19 1 1 A 83 83 ASP HA H 83 4.236 4.131 0.105 1
1 883 . 19 1 1 A 83 83 ASP CA C 83 54.370 55.392 -1.022 1
1 884 . 19 1 1 A 83 83 ASP CB C 83 39.400 39.174 0.226 1
1 885 . 19 1 1 A 83 83 ASP N N 83 116.517 115.925 0.592 1
1 886 . 19 1 1 A 84 84 CYS H H 84 8.361 7.277 1.084 1
1 887 . 19 1 1 A 84 84 CYS HA H 84 5.522 4.622 0.900 1
1 890 . 19 1 1 A 84 84 CYS CA C 84 56.617 58.520 -1.903 1
1 891 . 19 1 1 A 84 84 CYS CB C 84 27.651 27.241 0.410 1
1 892 . 19 1 1 A 84 84 CYS N N 84 119.420 117.743 1.677 1
1 893 . 19 1 1 A 85 85 PRO HA H 85 5.704 4.664 1.040 1
1 900 . 19 1 1 A 85 85 PRO CA C 85 64.355 64.080 0.275 1
1 901 . 19 1 1 A 85 85 PRO CB C 85 33.190 32.025 1.165 1
1 904 . 19 1 1 A 86 86 SER H H 86 8.389 8.332 0.057 1
1 905 . 19 1 1 A 86 86 SER HA H 86 4.175 4.149 0.026 1
1 907 . 19 1 1 A 86 86 SER CA C 86 62.130 61.705 0.425 1
1 908 . 19 1 1 A 86 86 SER CB C 86 63.080 62.697 0.383 1
1 909 . 19 1 1 A 86 86 SER N N 86 122.195 114.278 7.917 1
1 910 . 19 1 1 A 87 87 MET H H 87 8.576 8.250 0.326 1
1 911 . 19 1 1 A 87 87 MET HA H 87 4.475 4.228 0.247 1
1 918 . 19 1 1 A 87 87 MET CA C 87 57.520 58.239 -0.719 1
1 919 . 19 1 1 A 87 87 MET CB C 87 33.210 33.906 -0.696 1
1 922 . 19 1 1 A 87 87 MET N N 87 121.299 119.464 1.835 1
1 923 . 19 1 1 A 88 88 TYR H H 88 6.778 7.755 -0.977 1
1 924 . 19 1 1 A 88 88 TYR HA H 88 5.023 5.312 -0.289 1
1 931 . 19 1 1 A 88 88 TYR CA C 88 56.300 56.564 -0.264 1
1 932 . 19 1 1 A 88 88 TYR CB C 88 42.530 41.631 0.899 1
1 935 . 19 1 1 A 88 88 TYR N N 88 113.420 114.813 -1.393 1
1 936 . 19 1 1 A 89 89 GLN H H 89 9.567 9.256 0.311 1
1 937 . 19 1 1 A 89 89 GLN HA H 89 4.857 4.971 -0.114 1
1 944 . 19 1 1 A 89 89 GLN CA C 89 55.870 54.311 1.559 1
1 945 . 19 1 1 A 89 89 GLN CB C 89 30.430 31.147 -0.717 1
1 947 . 19 1 1 A 89 89 GLN N N 89 115.440 120.554 -5.114 1
1 949 . 19 1 1 A 90 90 ARG H H 90 8.772 8.814 -0.042 1
1 950 . 19 1 1 A 90 90 ARG HA H 90 4.499 4.438 0.061 1
1 958 . 19 1 1 A 90 90 ARG CA C 90 56.620 57.238 -0.618 1
1 959 . 19 1 1 A 90 90 ARG CB C 90 29.020 30.984 -1.964 1
1 962 . 19 1 1 A 90 90 ARG N N 90 123.860 127.046 -3.186 1
1 964 . 19 1 1 A 91 91 THR H H 91 9.217 9.242 -0.025 1
1 965 . 19 1 1 A 91 91 THR HA H 91 4.518 4.968 -0.450 1
1 970 . 19 1 1 A 91 91 THR CA C 91 60.570 61.039 -0.469 1
1 971 . 19 1 1 A 91 91 THR CB C 91 71.050 72.931 -1.881 1
1 973 . 19 1 1 A 91 91 THR N N 91 125.064 120.784 4.280 1
1 974 . 19 1 1 A 92 92 ALA H H 92 8.655 8.795 -0.140 1
1 975 . 19 1 1 A 92 92 ALA HA H 92 5.041 5.510 -0.469 1
1 979 . 19 1 1 A 92 92 ALA CA C 92 51.320 50.253 1.067 1
1 980 . 19 1 1 A 92 92 ALA CB C 92 19.480 21.099 -1.619 1
1 981 . 19 1 1 A 92 92 ALA N N 92 126.963 125.552 1.411 1
1 982 . 19 1 1 A 93 93 LEU H H 93 9.005 8.752 0.253 1
1 983 . 19 1 1 A 93 93 LEU HA H 93 4.720 5.398 -0.678 1
1 993 . 19 1 1 A 93 93 LEU CA C 93 53.750 53.392 0.358 1
1 994 . 19 1 1 A 93 93 LEU CB C 93 45.340 45.940 -0.600 1
1 998 . 19 1 1 A 93 93 LEU N N 93 122.440 119.391 3.049 1
1 999 . 19 1 1 A 94 94 GLN H H 94 8.360 8.576 -0.216 1
1 1000 . 19 1 1 A 94 94 GLN HA H 94 4.229 5.376 -1.147 1
1 1005 . 19 1 1 A 94 94 GLN CA C 94 56.040 54.355 1.685 1
1 1006 . 19 1 1 A 94 94 GLN CB C 94 28.780 32.605 -3.825 1
1 1008 . 19 1 1 A 94 94 GLN N N 94 119.357 118.820 0.537 1
1 1010 . 19 1 1 A 95 95 VAL H H 95 8.612 8.842 -0.230 1
1 1011 . 19 1 1 A 95 95 VAL HA H 95 4.013 4.567 -0.554 1
1 1019 . 19 1 1 A 95 95 VAL CA C 95 61.440 60.062 1.378 1
1 1020 . 19 1 1 A 95 95 VAL CB C 95 35.110 35.408 -0.298 1
1 1023 . 19 1 1 A 95 95 VAL N N 95 126.928 125.353 1.575 1
1 1024 . 19 1 1 A 96 96 GLN H H 96 9.222 8.678 0.544 1
1 1025 . 19 1 1 A 96 96 GLN HA H 96 4.279 4.821 -0.542 1
1 1032 . 19 1 1 A 96 96 GLN CA C 96 55.150 55.459 -0.309 1
1 1033 . 19 1 1 A 96 96 GLN CB C 96 29.100 29.591 -0.491 1
1 1035 . 19 1 1 A 96 96 GLN N N 96 128.360 126.286 2.074 1
1 1037 . 19 1 1 A 97 97 VAL H H 97 8.233 8.773 -0.540 1
1 1038 . 19 1 1 A 97 97 VAL HA H 97 3.674 4.417 -0.743 1
1 1046 . 19 1 1 A 97 97 VAL CA C 97 64.040 61.729 2.311 1
1 1047 . 19 1 1 A 97 97 VAL CB C 97 31.920 31.941 -0.021 1
1 1050 . 19 1 1 A 97 97 VAL N N 97 128.120 126.020 2.100 1
1 1051 . 19 1 1 A 98 98 LEU H H 98 8.880 9.007 -0.127 1
1 1052 . 19 1 1 A 98 98 LEU HA H 98 4.472 4.340 0.132 1
1 1059 . 19 1 1 A 98 98 LEU CA C 98 55.641 56.000 -0.359 1
1 1060 . 19 1 1 A 98 98 LEU CB C 98 42.510 42.973 -0.463 1
1 1063 . 19 1 1 A 98 98 LEU N N 98 128.877 131.435 -2.558 1
1 1064 . 19 1 1 A 99 99 GLU H H 99 7.682 7.280 0.402 1
1 1065 . 19 1 1 A 99 99 GLU HA H 99 4.403 4.785 -0.382 1
1 1070 . 19 1 1 A 99 99 GLU CA C 99 56.310 56.105 0.205 1
1 1071 . 19 1 1 A 99 99 GLU CB C 99 32.790 33.527 -0.737 1
1 1073 . 19 1 1 A 99 99 GLU N N 99 118.210 117.054 1.156 1
1 1074 . 19 1 1 A 100 100 TRP H H 100 8.883 8.876 0.007 1
1 1075 . 19 1 1 A 100 100 TRP HA H 100 5.205 5.304 -0.099 1
1 1084 . 19 1 1 A 100 100 TRP CA C 100 55.982 55.629 0.353 1
1 1085 . 19 1 1 A 100 100 TRP CB C 100 32.430 32.736 -0.306 1
1 1091 . 19 1 1 A 100 100 TRP N N 100 126.421 128.709 -2.288 1
1 1093 . 19 1 1 A 101 101 GLU H H 101 8.116 8.180 -0.064 1
1 1094 . 19 1 1 A 101 101 GLU HA H 101 4.462 4.574 -0.112 1
1 1098 . 19 1 1 A 101 101 GLU CA C 101 55.050 55.348 -0.298 1
1 1099 . 19 1 1 A 101 101 GLU CB C 101 30.950 30.361 0.589 1
1 1101 . 19 1 1 A 101 101 GLU N N 101 128.535 125.937 2.598 1
1 1102 . 19 1 1 A 102 102 GLY H H 102 7.614 8.142 -0.528 1
1 1103 . 19 1 1 A 102 102 GLY HA2 H 102 3.853 3.981 -0.128 1
1 1104 . 19 1 1 A 102 102 GLY HA3 H 102 3.905 4.066 -0.161 1
1 1105 . 19 1 1 A 102 102 GLY CA C 102 44.440 44.042 0.398 1
1 1106 . 19 1 1 A 102 102 GLY N N 102 108.953 110.239 -1.286 1
1 1107 . 19 1 1 A 103 103 ASP H H 103 8.261 8.540 -0.279 1
1 1108 . 19 1 1 A 103 103 ASP HA H 103 4.641 5.131 -0.490 1
1 1111 . 19 1 1 A 103 103 ASP CA C 103 54.530 54.041 0.489 1
1 1112 . 19 1 1 A 103 103 ASP CB C 103 41.690 41.623 0.067 1
1 1113 . 19 1 1 A 103 103 ASP N N 103 118.730 120.321 -1.591 1
1 1114 . 19 1 1 A 104 104 GLY H H 104 8.526 9.017 -0.491 1
1 1115 . 19 1 1 A 104 104 GLY HA2 H 104 3.719 4.044 -0.325 1
1 1116 . 19 1 1 A 104 104 GLY HA3 H 104 3.892 4.163 -0.271 1
1 1117 . 19 1 1 A 104 104 GLY CA C 104 45.960 46.286 -0.326 1
1 1118 . 19 1 1 A 104 104 GLY N N 104 109.230 113.846 -4.616 1
1 1119 . 19 1 1 A 105 105 ASP H H 105 7.806 8.005 -0.199 1
1 1120 . 19 1 1 A 105 105 ASP HA H 105 3.381 4.273 -0.892 1
1 1123 . 19 1 1 A 105 105 ASP CA C 105 51.020 50.327 0.693 1
1 1124 . 19 1 1 A 105 105 ASP CB C 105 41.406 40.824 0.582 1
1 1125 . 19 1 1 A 105 105 ASP N N 105 119.739 120.660 -0.921 1
1 1126 . 19 1 1 A 106 106 PRO HA H 106 4.065 4.181 -0.116 1
1 1133 . 19 1 1 A 106 106 PRO CA C 106 62.970 63.182 -0.212 1
1 1134 . 19 1 1 A 106 106 PRO CB C 106 31.660 31.893 -0.233 1
1 1137 . 19 1 1 A 107 107 GLY H H 107 7.863 8.023 -0.160 1
1 1138 . 19 1 1 A 107 107 GLY HA2 H 107 3.401 3.902 -0.501 1
1 1139 . 19 1 1 A 107 107 GLY HA3 H 107 4.103 3.907 0.196 1
1 1140 . 19 1 1 A 107 107 GLY CA C 107 44.170 44.651 -0.481 1
1 1141 . 19 1 1 A 107 107 GLY N N 107 109.610 110.425 -0.815 1
1 1142 . 19 1 1 A 108 108 ASP H H 108 8.171 8.581 -0.410 1
1 1143 . 19 1 1 A 108 108 ASP HA H 108 4.283 4.601 -0.318 1
1 1145 . 19 1 1 A 108 108 ASP CA C 108 56.430 54.371 2.059 1
1 1146 . 19 1 1 A 108 108 ASP CB C 108 41.490 41.153 0.337 1
1 1147 . 19 1 1 A 108 108 ASP N N 108 119.264 120.985 -1.721 1
1 1148 . 19 1 1 A 109 109 SER H H 109 7.560 7.654 -0.094 1
1 1149 . 19 1 1 A 109 109 SER HA H 109 5.188 5.274 -0.086 1
1 1152 . 19 1 1 A 109 109 SER CA C 109 56.740 57.772 -1.032 1
1 1153 . 19 1 1 A 109 109 SER CB C 109 65.780 66.792 -1.012 1
1 1154 . 19 1 1 A 109 109 SER N N 109 110.810 115.269 -4.459 1
1 1155 . 19 1 1 A 110 110 VAL H H 110 8.932 9.186 -0.254 1
1 1156 . 19 1 1 A 110 110 VAL HA H 110 4.262 4.841 -0.579 1
1 1164 . 19 1 1 A 110 110 VAL CA C 110 59.470 58.605 0.865 1
1 1165 . 19 1 1 A 110 110 VAL CB C 110 35.400 35.479 -0.079 1
1 1168 . 19 1 1 A 110 110 VAL N N 110 118.530 117.229 1.301 1
1 1169 . 19 1 1 A 111 111 GLN H H 111 8.468 8.634 -0.166 1
1 1170 . 19 1 1 A 111 111 GLN HA H 111 4.422 4.806 -0.384 1
1 1177 . 19 1 1 A 111 111 GLN CA C 111 55.960 54.773 1.187 1
1 1178 . 19 1 1 A 111 111 GLN CB C 111 29.470 29.829 -0.359 1
1 1180 . 19 1 1 A 111 111 GLN N N 111 127.378 122.663 4.715 1
1 1182 . 19 1 1 A 112 112 CYS H H 112 8.785 8.399 0.386 1
1 1183 . 19 1 1 A 112 112 CYS HA H 112 4.782 5.201 -0.419 1
1 1186 . 19 1 1 A 112 112 CYS CA C 112 57.100 56.359 0.741 1
1 1187 . 19 1 1 A 112 112 CYS CB C 112 33.700 31.727 1.973 1
1 1188 . 19 1 1 A 112 112 CYS N N 112 122.300 124.188 -1.888 1
1 1189 . 19 1 1 A 113 113 PHE H H 113 8.838 8.414 0.424 1
1 1190 . 19 1 1 A 113 113 PHE HA H 113 5.154 5.227 -0.073 1
1 1197 . 19 1 1 A 113 113 PHE CA C 113 58.650 57.367 1.283 1
1 1198 . 19 1 1 A 113 113 PHE CB C 113 40.210 40.870 -0.660 1
1 1201 . 19 1 1 A 113 113 PHE N N 113 118.974 120.664 -1.690 1
1 1202 . 19 1 1 A 114 114 VAL H H 114 9.079 8.825 0.254 1
1 1203 . 19 1 1 A 114 114 VAL HA H 114 4.472 4.744 -0.272 1
1 1211 . 19 1 1 A 114 114 VAL CA C 114 60.650 60.917 -0.267 1
1 1212 . 19 1 1 A 114 114 VAL CB C 114 35.970 36.070 -0.100 1
1 1215 . 19 1 1 A 114 114 VAL N N 114 121.660 121.038 0.622 1
1 1216 . 19 1 1 A 115 115 TYR H H 115 9.672 8.805 0.867 1
1 1217 . 19 1 1 A 115 115 TYR HA H 115 4.988 4.751 0.237 1
1 1224 . 19 1 1 A 115 115 TYR CA C 115 59.240 58.415 0.825 1
1 1225 . 19 1 1 A 115 115 TYR CB C 115 36.925 38.691 -1.766 1
1 1228 . 19 1 1 A 115 115 TYR N N 115 127.830 126.509 1.321 1
1 1229 . 19 1 1 A 116 116 THR H H 116 9.061 9.207 -0.146 1
1 1230 . 19 1 1 A 116 116 THR HA H 116 5.435 5.411 0.024 1
1 1235 . 19 1 1 A 116 116 THR CA C 116 60.130 60.320 -0.190 1
1 1236 . 19 1 1 A 116 116 THR CB C 116 71.910 72.206 -0.296 1
1 1238 . 19 1 1 A 116 116 THR N N 116 119.130 115.226 3.904 1
1 1239 . 19 1 1 A 117 117 THR H H 117 8.707 8.534 0.173 1
1 1240 . 19 1 1 A 117 117 THR HA H 117 5.561 5.198 0.363 1
1 1245 . 19 1 1 A 117 117 THR CA C 117 60.160 60.214 -0.054 1
1 1246 . 19 1 1 A 117 117 THR CB C 117 70.170 71.232 -1.062 1
1 1248 . 19 1 1 A 117 117 THR N N 117 111.190 114.977 -3.787 1
1 1249 . 19 1 1 A 118 118 ALA H H 118 9.257 8.821 0.436 1
1 1250 . 19 1 1 A 118 118 ALA HA H 118 5.033 4.671 0.362 1
1 1254 . 19 1 1 A 118 118 ALA CA C 118 51.550 52.585 -1.035 1
1 1255 . 19 1 1 A 118 118 ALA CB C 118 20.050 20.059 -0.009 1
1 1256 . 19 1 1 A 118 118 ALA N N 118 132.010 127.860 4.150 1
1 1257 . 19 1 1 A 119 119 THR H H 119 8.628 7.292 1.336 1
1 1258 . 19 1 1 A 119 119 THR HA H 119 4.143 4.252 -0.109 1
1 1263 . 19 1 1 A 119 119 THR CA C 119 60.090 59.832 0.258 1
1 1264 . 19 1 1 A 119 119 THR CB C 119 68.056 68.856 -0.800 1
1 1266 . 19 1 1 A 119 119 THR N N 119 114.350 112.333 2.017 1
1 1267 . 19 1 1 A 120 120 TYR H H 120 6.281 7.210 -0.929 1
1 1268 . 19 1 1 A 120 120 TYR HA H 120 3.594 4.129 -0.535 1
1 1273 . 19 1 1 A 120 120 TYR CA C 120 53.530 57.828 -4.298 1
1 1274 . 19 1 1 A 120 120 TYR CB C 120 40.072 39.145 0.927 1
1 1276 . 19 1 1 A 120 120 TYR N N 120 117.205 124.710 -7.505 1
1 1277 . 19 1 1 A 121 121 ALA HA H 121 5.030 4.074 0.956 1
1 1278 . 19 1 1 A 121 121 ALA CA C 121 51.536 53.849 -2.313 1
1 1279 . 19 1 1 A 122 122 PRO HA H 122 4.059 4.389 -0.330 1
1 1285 . 19 1 1 A 122 122 PRO CA C 122 65.435 64.722 0.713 1
1 1286 . 19 1 1 A 122 122 PRO CB C 122 31.680 32.084 -0.404 1
1 1289 . 19 1 1 A 123 123 GLU H H 123 9.336 8.986 0.350 1
1 1290 . 19 1 1 A 123 123 GLU HA H 123 4.169 4.474 -0.305 1
1 1294 . 19 1 1 A 123 123 GLU CA C 123 59.100 59.335 -0.235 1
1 1295 . 19 1 1 A 123 123 GLU CB C 123 27.940 28.964 -1.024 1
1 1297 . 19 1 1 A 123 123 GLU N N 123 115.528 115.966 -0.438 1
1 1298 . 19 1 1 A 124 124 TRP H H 124 8.560 7.963 0.597 1
1 1299 . 19 1 1 A 124 124 TRP HA H 124 4.671 4.640 0.031 1
1 1308 . 19 1 1 A 124 124 TRP CA C 124 57.370 60.066 -2.696 1
1 1309 . 19 1 1 A 124 124 TRP CB C 124 28.310 28.636 -0.326 1
1 1315 . 19 1 1 A 124 124 TRP N N 124 123.431 120.252 3.179 1
1 1317 . 19 1 1 A 125 125 LEU H H 125 7.378 7.598 -0.220 1
1 1318 . 19 1 1 A 125 125 LEU HA H 125 4.065 4.251 -0.186 1
1 1328 . 19 1 1 A 125 125 LEU CA C 125 56.060 55.301 0.759 1
1 1329 . 19 1 1 A 125 125 LEU CB C 125 41.220 41.163 0.057 1
1 1333 . 19 1 1 A 125 125 LEU N N 125 113.660 120.294 -6.634 1
1 1334 . 19 1 1 A 126 126 PHE H H 126 7.415 7.844 -0.429 1
1 1335 . 19 1 1 A 126 126 PHE HA H 126 4.640 4.678 -0.038 1
1 1342 . 19 1 1 A 126 126 PHE CA C 126 56.940 57.800 -0.860 1
1 1343 . 19 1 1 A 126 126 PHE CB C 126 38.670 39.411 -0.741 1
1 1346 . 19 1 1 A 126 126 PHE N N 126 116.360 116.353 0.007 1
1 1347 . 19 1 1 A 127 127 LEU H H 127 7.168 7.101 0.067 1
1 1348 . 19 1 1 A 127 127 LEU HA H 127 4.529 4.496 0.033 1
1 1358 . 19 1 1 A 127 127 LEU CA C 127 53.580 53.066 0.514 1
1 1359 . 19 1 1 A 127 127 LEU CB C 127 40.832 41.464 -0.632 1
1 1363 . 19 1 1 A 127 127 LEU N N 127 122.990 121.374 1.616 1
1 1364 . 19 1 1 A 128 128 PRO HA H 128 3.986 4.513 -0.527 1
1 1371 . 19 1 1 A 128 128 PRO CA C 128 63.140 62.587 0.553 1
1 1372 . 19 1 1 A 128 128 PRO CB C 128 31.993 32.135 -0.142 1
1 1375 . 19 1 1 A 129 129 TYR H H 129 8.070 8.300 -0.230 1
1 1376 . 19 1 1 A 129 129 TYR HA H 129 5.529 5.255 0.274 1
1 1383 . 19 1 1 A 129 129 TYR CA C 129 52.486 57.822 -5.336 1
1 1384 . 19 1 1 A 129 129 TYR CB C 129 36.760 40.217 -3.457 1
1 1387 . 19 1 1 A 129 129 TYR N N 129 120.100 121.090 -0.990 1
1 1388 . 19 1 1 A 130 130 HIS H H 130 9.193 8.686 0.507 1
1 1389 . 19 1 1 A 130 130 HIS HA H 130 4.733 5.099 -0.366 1
1 1393 . 19 1 1 A 130 130 HIS CA C 130 55.920 54.875 1.045 1
1 1394 . 19 1 1 A 130 130 HIS CB C 130 32.908 34.444 -1.536 1
1 1396 . 19 1 1 A 130 130 HIS N N 130 121.985 118.872 3.113 1
1 1397 . 19 1 1 A 131 131 GLU H H 131 9.093 9.347 -0.254 1
1 1398 . 19 1 1 A 131 131 GLU HA H 131 4.277 4.552 -0.275 1
1 1402 . 19 1 1 A 131 131 GLU CA C 131 58.110 57.296 0.814 1
1 1403 . 19 1 1 A 131 131 GLU CB C 131 30.700 31.765 -1.065 1
1 1405 . 19 1 1 A 131 131 GLU N N 131 122.150 121.935 0.215 1
1 1406 . 19 1 1 A 132 132 SER H H 132 7.621 7.920 -0.299 1
1 1407 . 19 1 1 A 132 132 SER HA H 132 4.686 5.013 -0.327 1
1 1410 . 19 1 1 A 132 132 SER CA C 132 56.340 57.462 -1.122 1
1 1411 . 19 1 1 A 132 132 SER CB C 132 65.050 65.911 -0.861 1
1 1412 . 19 1 1 A 132 132 SER N N 132 108.030 112.144 -4.114 1
1 1413 . 19 1 1 A 133 133 TYR H H 133 8.667 8.943 -0.276 1
1 1414 . 19 1 1 A 133 133 TYR HA H 133 4.564 5.123 -0.559 1
1 1419 . 19 1 1 A 133 133 TYR CA C 133 57.910 57.259 0.651 1
1 1420 . 19 1 1 A 133 133 TYR CB C 133 40.720 41.446 -0.726 1
1 1422 . 19 1 1 A 133 133 TYR N N 133 121.977 125.283 -3.306 1
1 1423 . 19 1 1 A 134 134 ASP H H 134 7.303 8.558 -1.255 1
1 1424 . 19 1 1 A 134 134 ASP HA H 134 3.944 4.816 -0.872 1
1 1427 . 19 1 1 A 134 134 ASP CA C 134 52.540 52.517 0.023 1
1 1428 . 19 1 1 A 134 134 ASP CB C 134 42.900 45.186 -2.286 1
1 1429 . 19 1 1 A 134 134 ASP N N 134 127.820 127.585 0.235 1
1 1430 . 19 1 1 A 135 135 SER H H 135 9.392 8.558 0.834 1
1 1431 . 19 1 1 A 135 135 SER HA H 135 3.945 4.269 -0.324 1
1 1434 . 19 1 1 A 135 135 SER CA C 135 61.770 59.929 1.841 1
1 1435 . 19 1 1 A 135 135 SER CB C 135 63.561 63.366 0.195 1
1 1436 . 19 1 1 A 135 135 SER N N 135 127.670 115.281 12.389 1
1 1437 . 19 1 1 A 136 136 GLU H H 136 7.546 7.806 -0.260 1
1 1438 . 19 1 1 A 136 136 GLU HA H 136 4.233 4.692 -0.459 1
1 1443 . 19 1 1 A 136 136 GLU CA C 136 54.796 55.226 -0.430 1
1 1444 . 19 1 1 A 136 136 GLU CB C 136 28.420 30.940 -2.520 1
1 1446 . 19 1 1 A 136 136 GLU N N 136 113.107 119.953 -6.846 1
1 1447 . 19 1 1 A 137 137 GLY H H 137 7.241 8.780 -1.539 1
1 1448 . 19 1 1 A 137 137 GLY HA2 H 137 3.994 4.415 -0.421 1
1 1449 . 19 1 1 A 137 137 GLY HA3 H 137 3.503 4.475 -0.972 1
1 1450 . 19 1 1 A 137 137 GLY CA C 137 44.880 43.965 0.915 1
1 1451 . 19 1 1 A 137 137 GLY N N 137 104.690 112.117 -7.427 1
1 1452 . 19 1 1 A 138 138 PRO HA H 138 4.211 4.350 -0.139 1
1 1459 . 19 1 1 A 138 138 PRO CA C 138 64.830 64.820 0.010 1
1 1460 . 19 1 1 A 138 138 PRO CB C 138 31.180 31.831 -0.651 1
1 1463 . 19 1 1 A 139 139 HIS H H 139 6.414 8.020 -1.606 1
1 1464 . 19 1 1 A 139 139 HIS HA H 139 4.299 4.497 -0.198 1
1 1467 . 19 1 1 A 139 139 HIS CA C 139 55.080 57.842 -2.762 1
1 1468 . 19 1 1 A 139 139 HIS CB C 139 30.260 30.096 0.164 1
1 1470 . 19 1 1 A 139 139 HIS N N 139 116.498 116.129 0.369 1
1 1471 . 19 1 1 A 140 140 GLY H H 140 7.082 8.144 -1.062 1
1 1472 . 19 1 1 A 140 140 GLY HA2 H 140 3.919 3.935 -0.016 1
1 1473 . 19 1 1 A 140 140 GLY HA3 H 140 3.721 3.936 -0.215 1
1 1474 . 19 1 1 A 140 140 GLY CA C 140 46.590 45.297 1.293 1
1 1475 . 19 1 1 A 140 140 GLY N N 140 108.485 108.344 0.141 1
1 1476 . 19 1 1 A 141 141 LEU HA H 141 4.451 4.428 0.023 1
1 1483 . 19 1 1 A 141 141 LEU CA C 141 53.024 54.159 -1.135 1
1 1484 . 19 1 1 A 141 141 LEU CB C 141 39.500 41.169 -1.669 1
1 1487 . 19 1 1 A 142 142 ARG H H 142 7.472 8.222 -0.750 1
1 1488 . 19 1 1 A 142 142 ARG HA H 142 4.724 5.076 -0.352 1
1 1493 . 19 1 1 A 142 142 ARG CA C 142 55.940 54.051 1.889 1
1 1494 . 19 1 1 A 142 142 ARG CB C 142 31.070 34.724 -3.654 1
1 1497 . 19 1 1 A 142 142 ARG N N 142 121.987 123.628 -1.641 1
1 1499 . 19 1 1 A 143 143 TYR H H 143 8.487 8.628 -0.141 1
1 1500 . 19 1 1 A 143 143 TYR HA H 143 4.474 4.693 -0.219 1
1 1507 . 19 1 1 A 143 143 TYR CA C 143 59.015 59.624 -0.609 1
1 1508 . 19 1 1 A 143 143 TYR CB C 143 38.720 39.238 -0.518 1
1 1511 . 19 1 1 A 143 143 TYR N N 143 127.896 124.215 3.681 1
1 1512 . 19 1 1 A 144 144 ASN H H 144 7.805 7.636 0.169 1
1 1513 . 19 1 1 A 144 144 ASN HA H 144 4.892 5.274 -0.382 1
1 1518 . 19 1 1 A 144 144 ASN CA C 144 50.120 50.243 -0.123 1
1 1519 . 19 1 1 A 144 144 ASN CB C 144 39.360 39.339 0.021 1
1 1520 . 19 1 1 A 144 144 ASN N N 144 125.629 126.155 -0.526 1
1 1522 . 19 1 1 A 145 145 PRO HA H 145 3.975 4.157 -0.182 1
1 1528 . 19 1 1 A 145 145 PRO CA C 145 63.140 64.060 -0.920 1
1 1529 . 19 1 1 A 145 145 PRO CB C 145 32.386 31.998 0.388 1
1 1532 . 19 1 1 A 146 146 ARG H H 146 8.055 7.938 0.117 1
1 1533 . 19 1 1 A 146 146 ARG HA H 146 3.918 4.571 -0.653 1
1 1541 . 19 1 1 A 146 146 ARG CA C 146 56.740 55.573 1.167 1
1 1542 . 19 1 1 A 146 146 ARG CB C 146 30.430 31.835 -1.405 1
1 1545 . 19 1 1 A 146 146 ARG N N 146 120.069 117.319 2.750 1
1 1547 . 19 1 1 A 147 147 GLU H H 147 8.440 8.029 0.411 1
1 1548 . 19 1 1 A 147 147 GLU HA H 147 4.167 4.128 0.039 1
1 1552 . 19 1 1 A 147 147 GLU CA C 147 56.710 58.381 -1.671 1
1 1553 . 19 1 1 A 147 147 GLU CB C 147 30.150 30.207 -0.057 1
1 1555 . 19 1 1 A 147 147 GLU N N 147 120.760 119.238 1.522 1
1 1556 . 19 1 1 A 148 148 ASN H H 148 8.363 7.762 0.601 1
1 1557 . 19 1 1 A 148 148 ASN HA H 148 4.652 4.922 -0.270 1
1 1562 . 19 1 1 A 148 148 ASN CA C 148 53.240 51.592 1.648 1
1 1563 . 19 1 1 A 148 148 ASN CB C 148 38.840 37.886 0.954 1
1 1564 . 19 1 1 A 148 148 ASN N N 148 120.210 113.665 6.545 1
1 1 . 20 1 1 A 2 2 ALA HA H 2 4.182 4.459 -0.277 1
1 5 . 20 1 1 A 2 2 ALA CA C 2 51.510 52.693 -1.183 1
1 6 . 20 1 1 A 2 2 ALA CB C 2 20.090 19.765 0.325 1
1 7 . 20 1 1 A 3 3 HIS H H 3 9.173 9.186 -0.013 1
1 8 . 20 1 1 A 3 3 HIS HA H 3 5.839 5.456 0.383 1
1 12 . 20 1 1 A 3 3 HIS CA C 3 56.960 54.874 2.086 1
1 13 . 20 1 1 A 3 3 HIS CB C 3 32.820 32.375 0.445 1
1 15 . 20 1 1 A 3 3 HIS N N 3 118.801 117.926 0.875 1
1 16 . 20 1 1 A 4 4 ILE H H 4 9.494 9.335 0.159 1
1 17 . 20 1 1 A 4 4 ILE HA H 4 5.508 5.226 0.282 1
1 27 . 20 1 1 A 4 4 ILE CA C 4 58.300 59.393 -1.093 1
1 28 . 20 1 1 A 4 4 ILE CB C 4 41.930 42.471 -0.541 1
1 32 . 20 1 1 A 4 4 ILE N N 4 118.202 117.188 1.014 1
1 33 . 20 1 1 A 5 5 PHE H H 5 8.815 8.658 0.157 1
1 34 . 20 1 1 A 5 5 PHE HA H 5 5.789 5.510 0.279 1
1 42 . 20 1 1 A 5 5 PHE CA C 5 55.153 56.344 -1.191 1
1 43 . 20 1 1 A 5 5 PHE CB C 5 40.740 43.095 -2.355 1
1 47 . 20 1 1 A 5 5 PHE N N 5 126.107 124.234 1.873 1
1 48 . 20 1 1 A 6 6 VAL H H 6 9.078 7.909 1.169 1
1 49 . 20 1 1 A 6 6 VAL HA H 6 4.357 4.801 -0.444 1
1 57 . 20 1 1 A 6 6 VAL CA C 6 59.157 59.582 -0.425 1
1 58 . 20 1 1 A 6 6 VAL CB C 6 33.473 34.716 -1.243 1
1 61 . 20 1 1 A 6 6 VAL N N 6 118.658 119.998 -1.340 1
1 62 . 20 1 1 A 7 7 TYR H H 7 6.878 8.675 -1.797 1
1 63 . 20 1 1 A 7 7 TYR HA H 7 4.170 4.816 -0.646 1
1 66 . 20 1 1 A 7 7 TYR CB C 7 36.608 40.062 -3.454 1
1 67 . 20 1 1 A 7 7 TYR N N 7 116.860 120.803 -3.943 1
1 68 . 20 1 1 A 8 8 GLY HA2 H 8 4.195 3.696 0.499 1
1 69 . 20 1 1 A 8 8 GLY HA3 H 8 2.933 3.855 -0.922 1
1 70 . 20 1 1 A 8 8 GLY CA C 8 46.169 45.247 0.922 1
1 71 . 20 1 1 A 9 9 THR H H 9 7.618 7.147 0.471 1
1 72 . 20 1 1 A 9 9 THR HA H 9 3.831 3.903 -0.072 1
1 77 . 20 1 1 A 9 9 THR CA C 9 64.570 65.327 -0.757 1
1 78 . 20 1 1 A 9 9 THR CB C 9 68.494 67.775 0.719 1
1 80 . 20 1 1 A 9 9 THR N N 9 115.934 114.652 1.282 1
1 81 . 20 1 1 A 10 10 LEU H H 10 7.561 7.250 0.311 1
1 82 . 20 1 1 A 10 10 LEU HA H 10 3.673 4.264 -0.591 1
1 92 . 20 1 1 A 10 10 LEU CA C 10 55.950 53.976 1.974 1
1 93 . 20 1 1 A 10 10 LEU CB C 10 41.610 42.669 -1.059 1
1 97 . 20 1 1 A 10 10 LEU N N 10 120.151 120.048 0.103 1
1 98 . 20 1 1 A 11 11 LYS H H 11 6.738 7.828 -1.090 1
1 99 . 20 1 1 A 11 11 LYS HA H 11 4.007 4.675 -0.668 1
1 103 . 20 1 1 A 11 11 LYS CA C 11 57.390 57.250 0.140 1
1 104 . 20 1 1 A 11 11 LYS CB C 11 34.322 34.812 -0.490 1
1 106 . 20 1 1 A 11 11 LYS N N 11 116.295 119.852 -3.557 1
1 107 . 20 1 1 A 12 12 ARG H H 12 9.432 7.652 1.780 1
1 108 . 20 1 1 A 12 12 ARG HA H 12 2.029 4.601 -2.572 1
1 115 . 20 1 1 A 12 12 ARG CA C 12 58.420 56.376 2.044 1
1 116 . 20 1 1 A 12 12 ARG CB C 12 29.190 31.039 -1.849 1
1 119 . 20 1 1 A 12 12 ARG N N 12 120.863 114.926 5.937 1
1 120 . 20 1 1 A 13 13 GLY H H 13 8.048 7.459 0.589 1
1 121 . 20 1 1 A 13 13 GLY HA2 H 13 3.990 4.013 -0.023 1
1 122 . 20 1 1 A 13 13 GLY HA3 H 13 3.538 4.029 -0.491 1
1 123 . 20 1 1 A 13 13 GLY CA C 13 45.490 45.766 -0.276 1
1 124 . 20 1 1 A 13 13 GLY N N 13 111.120 105.142 5.978 1
1 125 . 20 1 1 A 14 14 GLN H H 14 7.904 7.952 -0.048 1
1 126 . 20 1 1 A 14 14 GLN HA H 14 4.682 4.496 0.186 1
1 133 . 20 1 1 A 14 14 GLN CA C 14 53.440 54.466 -1.026 1
1 134 . 20 1 1 A 14 14 GLN CB C 14 27.115 27.844 -0.729 1
1 136 . 20 1 1 A 14 14 GLN N N 14 117.811 120.866 -3.055 1
1 138 . 20 1 1 A 15 15 PRO HA H 15 4.342 4.561 -0.219 1
1 145 . 20 1 1 A 15 15 PRO CA C 15 66.870 64.178 2.692 1
1 146 . 20 1 1 A 15 15 PRO CB C 15 34.060 31.507 2.553 1
1 149 . 20 1 1 A 16 16 ASN H H 16 8.287 8.431 -0.144 1
1 150 . 20 1 1 A 16 16 ASN HA H 16 5.356 4.986 0.370 1
1 155 . 20 1 1 A 16 16 ASN CA C 16 52.230 53.396 -1.166 1
1 156 . 20 1 1 A 16 16 ASN CB C 16 39.030 39.620 -0.590 1
1 157 . 20 1 1 A 16 16 ASN N N 16 110.638 116.507 -5.869 1
1 159 . 20 1 1 A 17 17 HIS H H 17 7.819 7.776 0.043 1
1 160 . 20 1 1 A 17 17 HIS HA H 17 3.815 4.176 -0.361 1
1 164 . 20 1 1 A 17 17 HIS CA C 17 60.140 60.072 0.068 1
1 165 . 20 1 1 A 17 17 HIS CB C 17 27.680 29.670 -1.990 1
1 167 . 20 1 1 A 17 17 HIS N N 17 121.058 120.415 0.643 1
1 168 . 20 1 1 A 18 18 LYS H H 18 8.326 8.190 0.136 1
1 169 . 20 1 1 A 18 18 LYS HA H 18 3.695 4.048 -0.353 1
1 175 . 20 1 1 A 18 18 LYS CA C 18 58.890 58.854 0.036 1
1 176 . 20 1 1 A 18 18 LYS CB C 18 31.070 31.477 -0.407 1
1 180 . 20 1 1 A 18 18 LYS N N 18 112.812 117.671 -4.859 1
1 181 . 20 1 1 A 19 19 VAL H H 19 7.373 7.647 -0.274 1
1 182 . 20 1 1 A 19 19 VAL HA H 19 3.816 4.041 -0.225 1
1 190 . 20 1 1 A 19 19 VAL CA C 19 64.960 64.740 0.220 1
1 191 . 20 1 1 A 19 19 VAL CB C 19 30.960 31.311 -0.351 1
1 194 . 20 1 1 A 19 19 VAL N N 19 117.691 116.669 1.022 1
1 195 . 20 1 1 A 20 20 MET H H 20 7.329 7.825 -0.496 1
1 196 . 20 1 1 A 20 20 MET HA H 20 3.951 4.392 -0.441 1
1 204 . 20 1 1 A 20 20 MET CA C 20 55.560 56.709 -1.149 1
1 205 . 20 1 1 A 20 20 MET CB C 20 31.460 32.532 -1.072 1
1 208 . 20 1 1 A 20 20 MET N N 20 114.870 118.764 -3.894 1
1 209 . 20 1 1 A 21 21 LEU H H 21 6.718 7.718 -1.000 1
1 210 . 20 1 1 A 21 21 LEU HA H 21 4.091 4.235 -0.144 1
1 220 . 20 1 1 A 21 21 LEU CA C 21 54.140 56.599 -2.459 1
1 221 . 20 1 1 A 21 21 LEU CB C 21 42.310 42.370 -0.060 1
1 225 . 20 1 1 A 21 21 LEU N N 21 116.021 118.182 -2.161 1
1 226 . 20 1 1 A 22 22 ASP H H 22 6.399 7.062 -0.663 1
1 227 . 20 1 1 A 22 22 ASP HA H 22 4.288 4.675 -0.387 1
1 229 . 20 1 1 A 22 22 ASP CA C 22 52.776 53.839 -1.063 1
1 230 . 20 1 1 A 22 22 ASP CB C 22 40.180 39.467 0.713 1
1 231 . 20 1 1 A 22 22 ASP N N 22 117.972 118.374 -0.402 1
1 232 . 20 1 1 A 23 23 HIS H H 23 8.601 8.350 0.251 1
1 233 . 20 1 1 A 23 23 HIS HA H 23 4.848 4.232 0.616 1
1 237 . 20 1 1 A 23 23 HIS CA C 23 55.800 59.272 -3.472 1
1 238 . 20 1 1 A 23 23 HIS CB C 23 27.860 30.028 -2.168 1
1 240 . 20 1 1 A 23 23 HIS N N 23 123.395 125.988 -2.593 1
1 241 . 20 1 1 A 24 24 SER H H 24 8.526 8.047 0.479 1
1 242 . 20 1 1 A 24 24 SER HA H 24 4.105 3.912 0.193 1
1 244 . 20 1 1 A 24 24 SER CA C 24 60.870 62.335 -1.465 1
1 245 . 20 1 1 A 24 24 SER CB C 24 62.510 63.196 -0.686 1
1 246 . 20 1 1 A 24 24 SER N N 24 117.035 114.996 2.039 1
1 247 . 20 1 1 A 25 25 HIS H H 25 7.450 7.550 -0.100 1
1 248 . 20 1 1 A 25 25 HIS HA H 25 4.494 4.307 0.187 1
1 252 . 20 1 1 A 25 25 HIS CA C 25 53.900 55.791 -1.891 1
1 253 . 20 1 1 A 25 25 HIS CB C 25 28.320 29.359 -1.039 1
1 255 . 20 1 1 A 25 25 HIS N N 25 117.560 116.091 1.469 1
1 256 . 20 1 1 A 26 26 GLY H H 26 6.926 7.316 -0.390 1
1 257 . 20 1 1 A 26 26 GLY HA2 H 26 3.587 3.833 -0.246 1
1 258 . 20 1 1 A 26 26 GLY HA3 H 26 4.362 3.933 0.429 1
1 259 . 20 1 1 A 26 26 GLY CA C 26 43.730 43.653 0.077 1
1 260 . 20 1 1 A 26 26 GLY N N 26 103.120 107.435 -4.315 1
1 261 . 20 1 1 A 27 27 LEU H H 27 8.579 8.757 -0.178 1
1 262 . 20 1 1 A 27 27 LEU HA H 27 4.327 4.894 -0.567 1
1 271 . 20 1 1 A 27 27 LEU CA C 27 54.520 54.294 0.226 1
1 272 . 20 1 1 A 27 27 LEU CB C 27 44.250 43.713 0.537 1
1 276 . 20 1 1 A 27 27 LEU N N 27 121.940 121.509 0.431 1
1 277 . 20 1 1 A 28 28 ALA H H 28 7.776 8.687 -0.911 1
1 278 . 20 1 1 A 28 28 ALA HA H 28 5.231 5.235 -0.004 1
1 282 . 20 1 1 A 28 28 ALA CA C 28 50.990 51.269 -0.279 1
1 283 . 20 1 1 A 28 28 ALA CB C 28 22.580 20.896 1.684 1
1 284 . 20 1 1 A 28 28 ALA N N 28 123.020 128.801 -5.781 1
1 285 . 20 1 1 A 29 29 ALA H H 29 9.231 9.524 -0.293 1
1 286 . 20 1 1 A 29 29 ALA HA H 29 4.857 5.325 -0.468 1
1 290 . 20 1 1 A 29 29 ALA CA C 29 50.661 50.367 0.294 1
1 291 . 20 1 1 A 29 29 ALA CB C 29 21.140 21.628 -0.488 1
1 292 . 20 1 1 A 29 29 ALA N N 29 125.760 126.298 -0.538 1
1 293 . 20 1 1 A 30 30 PHE H H 30 9.083 9.230 -0.147 1
1 294 . 20 1 1 A 30 30 PHE HA H 30 3.397 4.309 -0.912 1
1 301 . 20 1 1 A 30 30 PHE CA C 30 59.895 58.449 1.446 1
1 302 . 20 1 1 A 30 30 PHE CB C 30 38.810 39.168 -0.358 1
1 305 . 20 1 1 A 30 30 PHE N N 30 126.590 125.769 0.821 1
1 306 . 20 1 1 A 31 31 ARG H H 31 8.102 8.626 -0.524 1
1 307 . 20 1 1 A 31 31 ARG HA H 31 3.941 3.741 0.200 1
1 314 . 20 1 1 A 31 31 ARG CA C 31 53.120 54.501 -1.381 1
1 315 . 20 1 1 A 31 31 ARG CB C 31 31.665 29.753 1.912 1
1 318 . 20 1 1 A 31 31 ARG N N 31 125.007 128.187 -3.180 1
1 320 . 20 1 1 A 32 32 GLY H H 32 5.465 6.678 -1.213 1
1 321 . 20 1 1 A 32 32 GLY HA2 H 32 3.264 3.518 -0.254 1
1 322 . 20 1 1 A 32 32 GLY HA3 H 32 4.670 3.765 0.905 1
1 323 . 20 1 1 A 32 32 GLY CA C 32 45.150 44.237 0.913 1
1 324 . 20 1 1 A 32 32 GLY N N 32 101.400 108.889 -7.489 1
1 325 . 20 1 1 A 33 33 ARG H H 33 8.345 8.456 -0.111 1
1 326 . 20 1 1 A 33 33 ARG HA H 33 5.158 5.250 -0.092 1
1 332 . 20 1 1 A 33 33 ARG CA C 33 54.924 54.547 0.377 1
1 333 . 20 1 1 A 33 33 ARG CB C 33 34.180 34.115 0.065 1
1 336 . 20 1 1 A 33 33 ARG N N 33 116.822 120.360 -3.538 1
1 338 . 20 1 1 A 34 34 GLY H H 34 8.549 8.931 -0.382 1
1 339 . 20 1 1 A 34 34 GLY HA2 H 34 5.154 4.423 0.731 1
1 340 . 20 1 1 A 34 34 GLY HA3 H 34 3.752 4.485 -0.733 1
1 341 . 20 1 1 A 34 34 GLY CA C 34 45.620 45.872 -0.252 1
1 342 . 20 1 1 A 34 34 GLY N N 34 107.400 108.014 -0.614 1
1 343 . 20 1 1 A 35 35 CYS H H 35 8.803 7.921 0.882 1
1 344 . 20 1 1 A 35 35 CYS HA H 35 5.893 5.752 0.141 1
1 347 . 20 1 1 A 35 35 CYS CA C 35 55.420 57.795 -2.375 1
1 348 . 20 1 1 A 35 35 CYS CB C 35 30.960 31.057 -0.097 1
1 349 . 20 1 1 A 35 35 CYS N N 35 117.781 117.437 0.344 1
1 350 . 20 1 1 A 36 36 THR H H 36 9.033 8.986 0.047 1
1 351 . 20 1 1 A 36 36 THR HA H 36 3.835 4.454 -0.619 1
1 356 . 20 1 1 A 36 36 THR CA C 36 64.160 61.544 2.616 1
1 357 . 20 1 1 A 36 36 THR CB C 36 68.200 68.409 -0.209 1
1 359 . 20 1 1 A 36 36 THR N N 36 117.973 114.628 3.345 1
1 360 . 20 1 1 A 37 37 VAL H H 37 7.545 8.448 -0.903 1
1 361 . 20 1 1 A 37 37 VAL HA H 37 3.709 3.726 -0.017 1
1 369 . 20 1 1 A 37 37 VAL CA C 37 65.740 65.501 0.239 1
1 370 . 20 1 1 A 37 37 VAL CB C 37 32.410 31.535 0.875 1
1 373 . 20 1 1 A 37 37 VAL N N 37 121.706 122.884 -1.178 1
1 374 . 20 1 1 A 38 38 GLU H H 38 8.540 7.857 0.683 1
1 375 . 20 1 1 A 38 38 GLU HA H 38 4.264 4.244 0.020 1
1 380 . 20 1 1 A 38 38 GLU CA C 38 54.260 56.586 -2.326 1
1 381 . 20 1 1 A 38 38 GLU CB C 38 30.770 30.012 0.758 1
1 383 . 20 1 1 A 38 38 GLU N N 38 119.219 122.772 -3.553 1
1 384 . 20 1 1 A 39 39 SER H H 39 8.692 8.300 0.392 1
1 385 . 20 1 1 A 39 39 SER HA H 39 4.035 4.700 -0.665 1
1 388 . 20 1 1 A 39 39 SER CA C 39 57.370 59.742 -2.372 1
1 389 . 20 1 1 A 39 39 SER CB C 39 63.760 63.774 -0.014 1
1 390 . 20 1 1 A 39 39 SER N N 39 118.941 120.533 -1.592 1
1 391 . 20 1 1 A 40 40 PHE H H 40 8.302 8.638 -0.336 1
1 392 . 20 1 1 A 40 40 PHE HA H 40 4.986 4.919 0.067 1
1 400 . 20 1 1 A 40 40 PHE CA C 40 57.320 55.689 1.631 1
1 401 . 20 1 1 A 40 40 PHE CB C 40 44.292 42.422 1.870 1
1 405 . 20 1 1 A 40 40 PHE N N 40 119.300 123.149 -3.849 1
1 406 . 20 1 1 A 41 41 PRO HA H 41 3.828 4.142 -0.314 1
1 413 . 20 1 1 A 41 41 PRO CA C 41 62.270 61.952 0.318 1
1 414 . 20 1 1 A 41 41 PRO CB C 41 30.790 31.218 -0.428 1
1 417 . 20 1 1 A 42 42 LEU H H 42 7.964 8.286 -0.322 1
1 418 . 20 1 1 A 42 42 LEU HA H 42 5.352 4.853 0.499 1
1 427 . 20 1 1 A 42 42 LEU CA C 42 53.830 53.247 0.583 1
1 428 . 20 1 1 A 42 42 LEU CB C 42 42.380 43.026 -0.646 1
1 431 . 20 1 1 A 42 42 LEU N N 42 129.948 123.544 6.404 1
1 432 . 20 1 1 A 43 43 VAL H H 43 8.607 8.615 -0.008 1
1 433 . 20 1 1 A 43 43 VAL HA H 43 5.296 5.100 0.196 1
1 441 . 20 1 1 A 43 43 VAL CA C 43 58.040 59.953 -1.913 1
1 442 . 20 1 1 A 43 43 VAL CB C 43 35.220 33.771 1.449 1
1 445 . 20 1 1 A 43 43 VAL N N 43 117.190 122.442 -5.252 1
1 446 . 20 1 1 A 44 44 ILE H H 44 9.056 8.900 0.156 1
1 447 . 20 1 1 A 44 44 ILE HA H 44 4.426 4.502 -0.076 1
1 457 . 20 1 1 A 44 44 ILE CA C 44 61.156 60.848 0.308 1
1 458 . 20 1 1 A 44 44 ILE CB C 44 38.544 36.888 1.656 1
1 462 . 20 1 1 A 44 44 ILE N N 44 122.963 125.366 -2.403 1
1 463 . 20 1 1 A 45 45 ALA H H 45 8.701 8.355 0.346 1
1 464 . 20 1 1 A 45 45 ALA HA H 45 4.626 4.675 -0.049 1
1 468 . 20 1 1 A 45 45 ALA CA C 45 51.430 50.819 0.611 1
1 469 . 20 1 1 A 45 45 ALA CB C 45 21.670 20.736 0.934 1
1 470 . 20 1 1 A 45 45 ALA N N 45 126.347 130.221 -3.874 1
1 471 . 20 1 1 A 46 46 GLY H H 46 8.486 8.531 -0.045 1
1 472 . 20 1 1 A 46 46 GLY HA2 H 46 4.587 4.182 0.405 1
1 473 . 20 1 1 A 46 46 GLY HA3 H 46 4.084 4.184 -0.100 1
1 474 . 20 1 1 A 46 46 GLY CA C 46 44.500 44.847 -0.347 1
1 475 . 20 1 1 A 46 46 GLY N N 46 108.262 107.737 0.525 1
1 476 . 20 1 1 A 47 47 GLU H H 47 8.938 8.837 0.101 1
1 477 . 20 1 1 A 47 47 GLU HA H 47 4.003 4.374 -0.371 1
1 480 . 20 1 1 A 47 47 GLU CA C 47 58.820 57.254 1.566 1
1 481 . 20 1 1 A 47 47 GLU CB C 47 29.500 30.509 -1.009 1
1 482 . 20 1 1 A 47 47 GLU N N 47 118.010 120.801 -2.791 1
1 483 . 20 1 1 A 48 48 HIS H H 48 8.742 7.760 0.982 1
1 484 . 20 1 1 A 48 48 HIS HA H 48 4.704 4.624 0.080 1
1 488 . 20 1 1 A 48 48 HIS CA C 48 55.130 55.768 -0.638 1
1 489 . 20 1 1 A 48 48 HIS CB C 48 29.110 29.977 -0.867 1
1 491 . 20 1 1 A 48 48 HIS N N 48 115.306 115.123 0.183 1
1 492 . 20 1 1 A 49 49 ASN H H 49 7.810 8.060 -0.250 1
1 493 . 20 1 1 A 49 49 ASN HA H 49 3.878 4.206 -0.328 1
1 498 . 20 1 1 A 49 49 ASN CA C 49 53.876 54.334 -0.458 1
1 499 . 20 1 1 A 49 49 ASN CB C 49 36.030 36.857 -0.827 1
1 500 . 20 1 1 A 49 49 ASN N N 49 114.919 114.129 0.790 1
1 502 . 20 1 1 A 50 50 ILE H H 50 7.046 7.771 -0.725 1
1 503 . 20 1 1 A 50 50 ILE HA H 50 4.022 4.209 -0.187 1
1 513 . 20 1 1 A 50 50 ILE CA C 50 59.430 57.819 1.611 1
1 514 . 20 1 1 A 50 50 ILE CB C 50 41.326 38.076 3.250 1
1 518 . 20 1 1 A 50 50 ILE N N 50 120.995 119.986 1.009 1
1 519 . 20 1 1 A 51 51 PRO HA H 51 5.194 4.440 0.754 1
1 521 . 20 1 1 A 51 51 PRO CA C 51 60.560 62.556 -1.996 1
1 522 . 20 1 1 A 51 51 PRO CB C 51 31.841 31.735 0.106 1
1 523 . 20 1 1 A 52 52 TRP H H 52 9.564 8.494 1.070 1
1 524 . 20 1 1 A 52 52 TRP HA H 52 4.805 5.022 -0.217 1
1 532 . 20 1 1 A 52 52 TRP CA C 52 56.550 56.370 0.180 1
1 533 . 20 1 1 A 52 52 TRP CB C 52 32.300 30.865 1.435 1
1 539 . 20 1 1 A 52 52 TRP N N 52 123.070 124.280 -1.210 1
1 541 . 20 1 1 A 53 53 LEU H H 53 7.227 8.961 -1.734 1
1 542 . 20 1 1 A 53 53 LEU HA H 53 4.863 5.052 -0.189 1
1 552 . 20 1 1 A 53 53 LEU CA C 53 53.790 53.932 -0.142 1
1 553 . 20 1 1 A 53 53 LEU CB C 53 42.250 43.183 -0.933 1
1 557 . 20 1 1 A 53 53 LEU N N 53 124.700 126.071 -1.371 1
1 558 . 20 1 1 A 54 54 LEU H H 54 9.021 8.028 0.993 1
1 559 . 20 1 1 A 54 54 LEU HA H 54 4.618 4.363 0.255 1
1 569 . 20 1 1 A 54 54 LEU CA C 54 54.030 55.154 -1.124 1
1 570 . 20 1 1 A 54 54 LEU CB C 54 40.360 41.855 -1.495 1
1 574 . 20 1 1 A 54 54 LEU N N 54 126.893 128.212 -1.319 1
1 575 . 20 1 1 A 55 55 TYR H H 55 8.884 8.957 -0.073 1
1 576 . 20 1 1 A 55 55 TYR HA H 55 4.562 4.850 -0.288 1
1 583 . 20 1 1 A 55 55 TYR CA C 55 58.420 56.946 1.474 1
1 584 . 20 1 1 A 55 55 TYR CB C 55 36.180 38.452 -2.272 1
1 587 . 20 1 1 A 55 55 TYR N N 55 123.430 125.209 -1.779 1
1 588 . 20 1 1 A 56 56 LEU H H 56 8.192 8.715 -0.523 1
1 589 . 20 1 1 A 56 56 LEU HA H 56 4.530 4.775 -0.245 1
1 598 . 20 1 1 A 56 56 LEU CA C 56 51.720 51.696 0.024 1
1 599 . 20 1 1 A 56 56 LEU CB C 56 43.260 43.517 -0.257 1
1 602 . 20 1 1 A 56 56 LEU N N 56 130.832 129.045 1.787 1
1 603 . 20 1 1 A 57 57 PRO HA H 57 3.779 2.947 0.832 1
1 610 . 20 1 1 A 57 57 PRO CA C 57 62.240 63.095 -0.855 1
1 611 . 20 1 1 A 57 57 PRO CB C 57 31.130 31.376 -0.246 1
1 614 . 20 1 1 A 58 58 GLY H H 58 8.908 8.370 0.538 1
1 615 . 20 1 1 A 58 58 GLY HA2 H 58 4.027 3.821 0.206 1
1 616 . 20 1 1 A 58 58 GLY HA3 H 58 3.433 3.827 -0.394 1
1 617 . 20 1 1 A 58 58 GLY CA C 58 44.860 45.331 -0.471 1
1 618 . 20 1 1 A 58 58 GLY N N 58 112.351 110.895 1.456 1
1 619 . 20 1 1 A 59 59 LYS H H 59 7.214 7.194 0.020 1
1 620 . 20 1 1 A 59 59 LYS HA H 59 4.386 4.913 -0.527 1
1 629 . 20 1 1 A 59 59 LYS CA C 59 53.760 55.082 -1.322 1
1 630 . 20 1 1 A 59 59 LYS CB C 59 34.590 35.138 -0.548 1
1 634 . 20 1 1 A 59 59 LYS N N 59 121.458 120.767 0.691 1
1 635 . 20 1 1 A 60 60 GLY H H 60 8.312 8.389 -0.077 1
1 636 . 20 1 1 A 60 60 GLY HA2 H 60 3.379 4.188 -0.809 1
1 637 . 20 1 1 A 60 60 GLY HA3 H 60 3.229 4.248 -1.019 1
1 638 . 20 1 1 A 60 60 GLY CA C 60 45.350 45.088 0.262 1
1 639 . 20 1 1 A 60 60 GLY N N 60 103.990 112.265 -8.275 1
1 640 . 20 1 1 A 61 61 HIS H H 61 7.880 8.126 -0.246 1
1 641 . 20 1 1 A 61 61 HIS HA H 61 4.868 5.480 -0.612 1
1 645 . 20 1 1 A 61 61 HIS CA C 61 53.920 54.565 -0.645 1
1 646 . 20 1 1 A 61 61 HIS CB C 61 33.020 34.462 -1.442 1
1 648 . 20 1 1 A 61 61 HIS N N 61 121.221 118.628 2.593 1
1 649 . 20 1 1 A 62 62 CYS H H 62 8.760 8.812 -0.052 1
1 650 . 20 1 1 A 62 62 CYS HA H 62 4.248 4.984 -0.736 1
1 653 . 20 1 1 A 62 62 CYS CA C 62 61.730 58.106 3.624 1
1 654 . 20 1 1 A 62 62 CYS CB C 62 26.560 26.519 0.041 1
1 655 . 20 1 1 A 62 62 CYS N N 62 121.842 120.787 1.055 1
1 656 . 20 1 1 A 63 63 VAL H H 63 8.109 8.461 -0.352 1
1 657 . 20 1 1 A 63 63 VAL HA H 63 4.869 4.536 0.333 1
1 665 . 20 1 1 A 63 63 VAL CA C 63 62.210 63.091 -0.881 1
1 666 . 20 1 1 A 63 63 VAL CB C 63 34.780 32.837 1.943 1
1 669 . 20 1 1 A 63 63 VAL N N 63 127.029 126.480 0.549 1
1 670 . 20 1 1 A 64 64 THR H H 64 8.453 8.455 -0.002 1
1 671 . 20 1 1 A 64 64 THR HA H 64 5.349 5.080 0.269 1
1 676 . 20 1 1 A 64 64 THR CA C 64 61.100 60.938 0.162 1
1 677 . 20 1 1 A 64 64 THR CB C 64 70.790 70.463 0.327 1
1 679 . 20 1 1 A 64 64 THR N N 64 116.830 119.929 -3.099 1
1 680 . 20 1 1 A 65 65 GLY H H 65 8.663 8.847 -0.184 1
1 681 . 20 1 1 A 65 65 GLY HA2 H 65 4.085 3.595 0.490 1
1 682 . 20 1 1 A 65 65 GLY HA3 H 65 3.480 4.195 -0.715 1
1 683 . 20 1 1 A 65 65 GLY CA C 65 46.570 45.079 1.491 1
1 684 . 20 1 1 A 65 65 GLY N N 65 107.680 108.990 -1.310 1
1 685 . 20 1 1 A 66 66 GLU H H 66 8.574 8.496 0.078 1
1 686 . 20 1 1 A 66 66 GLU HA H 66 5.150 5.105 0.045 1
1 689 . 20 1 1 A 66 66 GLU CA C 66 54.450 55.009 -0.559 1
1 690 . 20 1 1 A 66 66 GLU CB C 66 37.328 32.480 4.848 1
1 691 . 20 1 1 A 66 66 GLU N N 66 120.921 119.935 0.986 1
1 692 . 20 1 1 A 67 67 ILE H H 67 8.623 8.782 -0.159 1
1 693 . 20 1 1 A 67 67 ILE HA H 67 5.149 4.814 0.335 1
1 703 . 20 1 1 A 67 67 ILE CA C 67 60.180 60.448 -0.268 1
1 704 . 20 1 1 A 67 67 ILE CB C 67 40.210 39.239 0.971 1
1 708 . 20 1 1 A 67 67 ILE N N 67 121.340 121.920 -0.580 1
1 709 . 20 1 1 A 68 68 TYR H H 68 9.196 8.967 0.229 1
1 710 . 20 1 1 A 68 68 TYR HA H 68 5.001 5.408 -0.407 1
1 717 . 20 1 1 A 68 68 TYR CA C 68 56.270 56.793 -0.523 1
1 718 . 20 1 1 A 68 68 TYR CB C 68 41.480 40.122 1.358 1
1 721 . 20 1 1 A 68 68 TYR N N 68 123.650 126.793 -3.143 1
1 722 . 20 1 1 A 69 69 GLU H H 69 9.302 9.262 0.040 1
1 723 . 20 1 1 A 69 69 GLU HA H 69 5.066 4.769 0.297 1
1 728 . 20 1 1 A 69 69 GLU CA C 69 55.180 57.026 -1.846 1
1 729 . 20 1 1 A 69 69 GLU CB C 69 31.420 30.660 0.760 1
1 731 . 20 1 1 A 69 69 GLU N N 69 124.090 125.492 -1.402 1
1 732 . 20 1 1 A 70 70 VAL H H 70 8.908 8.979 -0.071 1
1 733 . 20 1 1 A 70 70 VAL HA H 70 5.556 5.255 0.301 1
1 741 . 20 1 1 A 70 70 VAL CA C 70 57.780 58.782 -1.002 1
1 742 . 20 1 1 A 70 70 VAL CB C 70 35.400 36.078 -0.678 1
1 745 . 20 1 1 A 70 70 VAL N N 70 119.540 119.919 -0.379 1
1 746 . 20 1 1 A 71 71 ASP H H 71 7.939 7.923 0.016 1
1 747 . 20 1 1 A 71 71 ASP HA H 71 4.909 4.933 -0.024 1
1 750 . 20 1 1 A 71 71 ASP CA C 71 51.240 51.759 -0.519 1
1 751 . 20 1 1 A 71 71 ASP CB C 71 42.210 42.313 -0.103 1
1 752 . 20 1 1 A 71 71 ASP N N 71 120.720 122.061 -1.341 1
1 753 . 20 1 1 A 72 72 GLU H H 72 8.364 8.703 -0.339 1
1 754 . 20 1 1 A 72 72 GLU HA H 72 3.869 4.011 -0.142 1
1 757 . 20 1 1 A 72 72 GLU CA C 72 59.775 59.786 -0.011 1
1 758 . 20 1 1 A 72 72 GLU CB C 72 29.140 29.541 -0.401 1
1 760 . 20 1 1 A 72 72 GLU N N 72 117.910 118.704 -0.794 1
1 761 . 20 1 1 A 73 73 GLN H H 73 7.960 8.264 -0.304 1
1 762 . 20 1 1 A 73 73 GLN HA H 73 3.899 4.117 -0.218 1
1 767 . 20 1 1 A 73 73 GLN CA C 73 59.570 58.655 0.915 1
1 768 . 20 1 1 A 73 73 GLN CB C 73 27.810 28.419 -0.609 1
1 770 . 20 1 1 A 73 73 GLN N N 73 119.617 120.035 -0.418 1
1 772 . 20 1 1 A 74 74 MET H H 74 8.489 8.171 0.318 1
1 773 . 20 1 1 A 74 74 MET HA H 74 4.766 4.501 0.265 1
1 780 . 20 1 1 A 74 74 MET CA C 74 56.790 58.493 -1.703 1
1 781 . 20 1 1 A 74 74 MET CB C 74 31.900 32.233 -0.333 1
1 784 . 20 1 1 A 74 74 MET N N 74 121.800 119.226 2.574 1
1 785 . 20 1 1 A 75 75 LEU H H 75 8.162 8.456 -0.294 1
1 786 . 20 1 1 A 75 75 LEU HA H 75 3.897 4.138 -0.241 1
1 796 . 20 1 1 A 75 75 LEU CA C 75 58.230 57.982 0.248 1
1 797 . 20 1 1 A 75 75 LEU CB C 75 42.160 41.994 0.166 1
1 801 . 20 1 1 A 75 75 LEU N N 75 120.230 121.633 -1.403 1
1 802 . 20 1 1 A 76 76 ARG H H 76 7.824 8.531 -0.707 1
1 803 . 20 1 1 A 76 76 ARG HA H 76 3.952 3.997 -0.045 1
1 811 . 20 1 1 A 76 76 ARG CA C 76 59.270 59.648 -0.378 1
1 812 . 20 1 1 A 76 76 ARG CB C 76 29.930 29.592 0.338 1
1 815 . 20 1 1 A 76 76 ARG N N 76 116.540 119.648 -3.108 1
1 817 . 20 1 1 A 77 77 PHE H H 77 8.137 8.488 -0.351 1
1 818 . 20 1 1 A 77 77 PHE HA H 77 4.085 4.231 -0.146 1
1 825 . 20 1 1 A 77 77 PHE CA C 77 61.980 61.210 0.770 1
1 826 . 20 1 1 A 77 77 PHE CB C 77 38.530 38.973 -0.443 1
1 829 . 20 1 1 A 77 77 PHE N N 77 120.650 121.250 -0.600 1
1 830 . 20 1 1 A 78 78 LEU H H 78 9.071 8.891 0.180 1
1 831 . 20 1 1 A 78 78 LEU HA H 78 3.629 3.932 -0.303 1
1 841 . 20 1 1 A 78 78 LEU CA C 78 57.730 57.751 -0.021 1
1 842 . 20 1 1 A 78 78 LEU CB C 78 41.420 41.100 0.320 1
1 846 . 20 1 1 A 78 78 LEU N N 78 122.360 119.370 2.990 1
1 847 . 20 1 1 A 79 79 ASP H H 79 8.506 8.399 0.107 1
1 848 . 20 1 1 A 79 79 ASP HA H 79 4.320 4.603 -0.283 1
1 851 . 20 1 1 A 79 79 ASP CA C 79 57.190 57.371 -0.181 1
1 852 . 20 1 1 A 79 79 ASP CB C 79 39.420 41.698 -2.278 1
1 853 . 20 1 1 A 79 79 ASP N N 79 120.070 119.897 0.173 1
1 854 . 20 1 1 A 80 80 ASP H H 80 7.154 7.831 -0.677 1
1 855 . 20 1 1 A 80 80 ASP HA H 80 4.501 4.334 0.167 1
1 858 . 20 1 1 A 80 80 ASP CA C 80 56.700 57.120 -0.420 1
1 859 . 20 1 1 A 80 80 ASP CB C 80 40.660 40.902 -0.242 1
1 860 . 20 1 1 A 80 80 ASP N N 80 118.890 119.701 -0.811 1
1 861 . 20 1 1 A 81 81 PHE H H 81 8.791 8.041 0.750 1
1 862 . 20 1 1 A 81 81 PHE HA H 81 3.659 3.812 -0.153 1
1 867 . 20 1 1 A 81 81 PHE CA C 81 61.640 61.051 0.589 1
1 868 . 20 1 1 A 81 81 PHE CB C 81 40.210 38.791 1.419 1
1 870 . 20 1 1 A 81 81 PHE N N 81 125.745 120.186 5.559 1
1 871 . 20 1 1 A 82 82 GLU H H 82 8.209 7.705 0.504 1
1 872 . 20 1 1 A 82 82 GLU HA H 82 3.956 3.897 0.059 1
1 875 . 20 1 1 A 82 82 GLU CA C 82 55.060 55.840 -0.780 1
1 876 . 20 1 1 A 82 82 GLU CB C 82 28.910 28.759 0.151 1
1 878 . 20 1 1 A 82 82 GLU N N 82 115.707 117.168 -1.461 1
1 879 . 20 1 1 A 83 83 ASP H H 83 7.615 7.890 -0.275 1
1 880 . 20 1 1 A 83 83 ASP HA H 83 4.236 4.185 0.051 1
1 883 . 20 1 1 A 83 83 ASP CA C 83 54.370 55.427 -1.057 1
1 884 . 20 1 1 A 83 83 ASP CB C 83 39.400 40.039 -0.639 1
1 885 . 20 1 1 A 83 83 ASP N N 83 116.517 118.796 -2.279 1
1 886 . 20 1 1 A 84 84 CYS H H 84 8.361 7.792 0.569 1
1 887 . 20 1 1 A 84 84 CYS HA H 84 5.522 4.821 0.701 1
1 890 . 20 1 1 A 84 84 CYS CA C 84 56.617 57.967 -1.350 1
1 891 . 20 1 1 A 84 84 CYS CB C 84 27.651 27.444 0.207 1
1 892 . 20 1 1 A 84 84 CYS N N 84 119.420 117.489 1.931 1
1 893 . 20 1 1 A 85 85 PRO HA H 85 5.704 4.690 1.014 1
1 900 . 20 1 1 A 85 85 PRO CA C 85 64.355 64.256 0.099 1
1 901 . 20 1 1 A 85 85 PRO CB C 85 33.190 31.910 1.280 1
1 904 . 20 1 1 A 86 86 SER H H 86 8.389 8.011 0.378 1
1 905 . 20 1 1 A 86 86 SER HA H 86 4.175 4.233 -0.058 1
1 907 . 20 1 1 A 86 86 SER CA C 86 62.130 61.547 0.583 1
1 908 . 20 1 1 A 86 86 SER CB C 86 63.080 63.158 -0.078 1
1 909 . 20 1 1 A 86 86 SER N N 86 122.195 114.364 7.831 1
1 910 . 20 1 1 A 87 87 MET H H 87 8.576 8.601 -0.025 1
1 911 . 20 1 1 A 87 87 MET HA H 87 4.475 4.252 0.223 1
1 918 . 20 1 1 A 87 87 MET CA C 87 57.520 58.706 -1.186 1
1 919 . 20 1 1 A 87 87 MET CB C 87 33.210 34.044 -0.834 1
1 922 . 20 1 1 A 87 87 MET N N 87 121.299 119.164 2.135 1
1 923 . 20 1 1 A 88 88 TYR H H 88 6.778 8.070 -1.292 1
1 924 . 20 1 1 A 88 88 TYR HA H 88 5.023 5.290 -0.267 1
1 931 . 20 1 1 A 88 88 TYR CA C 88 56.300 57.279 -0.979 1
1 932 . 20 1 1 A 88 88 TYR CB C 88 42.530 41.854 0.676 1
1 935 . 20 1 1 A 88 88 TYR N N 88 113.420 115.441 -2.021 1
1 936 . 20 1 1 A 89 89 GLN H H 89 9.567 9.148 0.419 1
1 937 . 20 1 1 A 89 89 GLN HA H 89 4.857 4.763 0.094 1
1 944 . 20 1 1 A 89 89 GLN CA C 89 55.870 55.405 0.465 1
1 945 . 20 1 1 A 89 89 GLN CB C 89 30.430 30.828 -0.398 1
1 947 . 20 1 1 A 89 89 GLN N N 89 115.440 119.416 -3.976 1
1 949 . 20 1 1 A 90 90 ARG H H 90 8.772 7.724 1.048 1
1 950 . 20 1 1 A 90 90 ARG HA H 90 4.499 4.242 0.257 1
1 958 . 20 1 1 A 90 90 ARG CA C 90 56.620 56.913 -0.293 1
1 959 . 20 1 1 A 90 90 ARG CB C 90 29.020 29.087 -0.067 1
1 962 . 20 1 1 A 90 90 ARG N N 90 123.860 119.657 4.203 1
1 964 . 20 1 1 A 91 91 THR H H 91 9.217 8.923 0.294 1
1 965 . 20 1 1 A 91 91 THR HA H 91 4.518 4.900 -0.382 1
1 970 . 20 1 1 A 91 91 THR CA C 91 60.570 61.128 -0.558 1
1 971 . 20 1 1 A 91 91 THR CB C 91 71.050 72.841 -1.791 1
1 973 . 20 1 1 A 91 91 THR N N 91 125.064 119.799 5.265 1
1 974 . 20 1 1 A 92 92 ALA H H 92 8.655 8.483 0.172 1
1 975 . 20 1 1 A 92 92 ALA HA H 92 5.041 5.336 -0.295 1
1 979 . 20 1 1 A 92 92 ALA CA C 92 51.320 50.516 0.804 1
1 980 . 20 1 1 A 92 92 ALA CB C 92 19.480 20.600 -1.120 1
1 981 . 20 1 1 A 92 92 ALA N N 92 126.963 126.102 0.861 1
1 982 . 20 1 1 A 93 93 LEU H H 93 9.005 8.797 0.208 1
1 983 . 20 1 1 A 93 93 LEU HA H 93 4.720 5.499 -0.779 1
1 993 . 20 1 1 A 93 93 LEU CA C 93 53.750 52.792 0.958 1
1 994 . 20 1 1 A 93 93 LEU CB C 93 45.340 46.173 -0.833 1
1 998 . 20 1 1 A 93 93 LEU N N 93 122.440 119.314 3.126 1
1 999 . 20 1 1 A 94 94 GLN H H 94 8.360 8.905 -0.545 1
1 1000 . 20 1 1 A 94 94 GLN HA H 94 4.229 5.032 -0.803 1
1 1005 . 20 1 1 A 94 94 GLN CA C 94 56.040 54.292 1.748 1
1 1006 . 20 1 1 A 94 94 GLN CB C 94 28.780 31.902 -3.122 1
1 1008 . 20 1 1 A 94 94 GLN N N 94 119.357 119.515 -0.158 1
1 1010 . 20 1 1 A 95 95 VAL H H 95 8.612 8.949 -0.337 1
1 1011 . 20 1 1 A 95 95 VAL HA H 95 4.013 4.486 -0.473 1
1 1019 . 20 1 1 A 95 95 VAL CA C 95 61.440 60.153 1.287 1
1 1020 . 20 1 1 A 95 95 VAL CB C 95 35.110 35.224 -0.114 1
1 1023 . 20 1 1 A 95 95 VAL N N 95 126.928 125.797 1.131 1
1 1024 . 20 1 1 A 96 96 GLN H H 96 9.222 8.425 0.797 1
1 1025 . 20 1 1 A 96 96 GLN HA H 96 4.279 4.453 -0.174 1
1 1032 . 20 1 1 A 96 96 GLN CA C 96 55.150 55.790 -0.640 1
1 1033 . 20 1 1 A 96 96 GLN CB C 96 29.100 29.583 -0.483 1
1 1035 . 20 1 1 A 96 96 GLN N N 96 128.360 125.862 2.498 1
1 1037 . 20 1 1 A 97 97 VAL H H 97 8.233 9.180 -0.947 1
1 1038 . 20 1 1 A 97 97 VAL HA H 97 3.674 4.193 -0.519 1
1 1046 . 20 1 1 A 97 97 VAL CA C 97 64.040 63.099 0.941 1
1 1047 . 20 1 1 A 97 97 VAL CB C 97 31.920 30.423 1.497 1
1 1050 . 20 1 1 A 97 97 VAL N N 97 128.120 126.583 1.537 1
1 1051 . 20 1 1 A 98 98 LEU H H 98 8.880 8.738 0.142 1
1 1052 . 20 1 1 A 98 98 LEU HA H 98 4.472 4.245 0.227 1
1 1059 . 20 1 1 A 98 98 LEU CA C 98 55.641 56.467 -0.826 1
1 1060 . 20 1 1 A 98 98 LEU CB C 98 42.510 42.922 -0.412 1
1 1063 . 20 1 1 A 98 98 LEU N N 98 128.877 129.941 -1.064 1
1 1064 . 20 1 1 A 99 99 GLU H H 99 7.682 7.359 0.323 1
1 1065 . 20 1 1 A 99 99 GLU HA H 99 4.403 4.794 -0.391 1
1 1070 . 20 1 1 A 99 99 GLU CA C 99 56.310 55.647 0.663 1
1 1071 . 20 1 1 A 99 99 GLU CB C 99 32.790 33.268 -0.478 1
1 1073 . 20 1 1 A 99 99 GLU N N 99 118.210 116.053 2.157 1
1 1074 . 20 1 1 A 100 100 TRP H H 100 8.883 8.666 0.217 1
1 1075 . 20 1 1 A 100 100 TRP HA H 100 5.205 5.268 -0.063 1
1 1084 . 20 1 1 A 100 100 TRP CA C 100 55.982 56.026 -0.044 1
1 1085 . 20 1 1 A 100 100 TRP CB C 100 32.430 33.067 -0.637 1
1 1091 . 20 1 1 A 100 100 TRP N N 100 126.421 124.497 1.924 1
1 1093 . 20 1 1 A 101 101 GLU H H 101 8.116 8.068 0.048 1
1 1094 . 20 1 1 A 101 101 GLU HA H 101 4.462 4.457 0.005 1
1 1098 . 20 1 1 A 101 101 GLU CA C 101 55.050 55.151 -0.101 1
1 1099 . 20 1 1 A 101 101 GLU CB C 101 30.950 30.266 0.684 1
1 1101 . 20 1 1 A 101 101 GLU N N 101 128.535 126.262 2.273 1
1 1102 . 20 1 1 A 102 102 GLY H H 102 7.614 8.152 -0.538 1
1 1103 . 20 1 1 A 102 102 GLY HA2 H 102 3.853 3.924 -0.071 1
1 1104 . 20 1 1 A 102 102 GLY HA3 H 102 3.905 4.022 -0.117 1
1 1105 . 20 1 1 A 102 102 GLY CA C 102 44.440 43.903 0.537 1
1 1106 . 20 1 1 A 102 102 GLY N N 102 108.953 112.158 -3.205 1
1 1107 . 20 1 1 A 103 103 ASP H H 103 8.261 8.404 -0.143 1
1 1108 . 20 1 1 A 103 103 ASP HA H 103 4.641 4.627 0.014 1
1 1111 . 20 1 1 A 103 103 ASP CA C 103 54.530 55.703 -1.173 1
1 1112 . 20 1 1 A 103 103 ASP CB C 103 41.690 40.492 1.198 1
1 1113 . 20 1 1 A 103 103 ASP N N 103 118.730 121.077 -2.347 1
1 1114 . 20 1 1 A 104 104 GLY H H 104 8.526 9.090 -0.564 1
1 1115 . 20 1 1 A 104 104 GLY HA2 H 104 3.719 4.194 -0.475 1
1 1116 . 20 1 1 A 104 104 GLY HA3 H 104 3.892 4.314 -0.422 1
1 1117 . 20 1 1 A 104 104 GLY CA C 104 45.960 45.853 0.107 1
1 1118 . 20 1 1 A 104 104 GLY N N 104 109.230 114.535 -5.305 1
1 1119 . 20 1 1 A 105 105 ASP H H 105 7.806 8.171 -0.365 1
1 1120 . 20 1 1 A 105 105 ASP HA H 105 3.381 4.190 -0.809 1
1 1123 . 20 1 1 A 105 105 ASP CA C 105 51.020 50.349 0.671 1
1 1124 . 20 1 1 A 105 105 ASP CB C 105 41.406 40.849 0.557 1
1 1125 . 20 1 1 A 105 105 ASP N N 105 119.739 122.754 -3.015 1
1 1126 . 20 1 1 A 106 106 PRO HA H 106 4.065 4.264 -0.199 1
1 1133 . 20 1 1 A 106 106 PRO CA C 106 62.970 64.788 -1.818 1
1 1134 . 20 1 1 A 106 106 PRO CB C 106 31.660 31.600 0.060 1
1 1137 . 20 1 1 A 107 107 GLY H H 107 7.863 7.036 0.827 1
1 1138 . 20 1 1 A 107 107 GLY HA2 H 107 3.401 3.980 -0.579 1
1 1139 . 20 1 1 A 107 107 GLY HA3 H 107 4.103 3.988 0.115 1
1 1140 . 20 1 1 A 107 107 GLY CA C 107 44.170 45.238 -1.068 1
1 1141 . 20 1 1 A 107 107 GLY N N 107 109.610 104.181 5.429 1
1 1142 . 20 1 1 A 108 108 ASP H H 108 8.171 8.719 -0.548 1
1 1143 . 20 1 1 A 108 108 ASP HA H 108 4.283 4.474 -0.191 1
1 1145 . 20 1 1 A 108 108 ASP CA C 108 56.430 55.670 0.760 1
1 1146 . 20 1 1 A 108 108 ASP CB C 108 41.490 41.030 0.460 1
1 1147 . 20 1 1 A 108 108 ASP N N 108 119.264 121.400 -2.136 1
1 1148 . 20 1 1 A 109 109 SER H H 109 7.560 7.948 -0.388 1
1 1149 . 20 1 1 A 109 109 SER HA H 109 5.188 5.113 0.075 1
1 1152 . 20 1 1 A 109 109 SER CA C 109 56.740 56.630 0.110 1
1 1153 . 20 1 1 A 109 109 SER CB C 109 65.780 66.424 -0.644 1
1 1154 . 20 1 1 A 109 109 SER N N 109 110.810 111.472 -0.662 1
1 1155 . 20 1 1 A 110 110 VAL H H 110 8.932 8.875 0.057 1
1 1156 . 20 1 1 A 110 110 VAL HA H 110 4.262 4.740 -0.478 1
1 1164 . 20 1 1 A 110 110 VAL CA C 110 59.470 59.524 -0.054 1
1 1165 . 20 1 1 A 110 110 VAL CB C 110 35.400 35.778 -0.378 1
1 1168 . 20 1 1 A 110 110 VAL N N 110 118.530 119.995 -1.465 1
1 1169 . 20 1 1 A 111 111 GLN H H 111 8.468 8.667 -0.199 1
1 1170 . 20 1 1 A 111 111 GLN HA H 111 4.422 4.984 -0.562 1
1 1177 . 20 1 1 A 111 111 GLN CA C 111 55.960 54.654 1.306 1
1 1178 . 20 1 1 A 111 111 GLN CB C 111 29.470 30.014 -0.544 1
1 1180 . 20 1 1 A 111 111 GLN N N 111 127.378 125.777 1.601 1
1 1182 . 20 1 1 A 112 112 CYS H H 112 8.785 8.558 0.227 1
1 1183 . 20 1 1 A 112 112 CYS HA H 112 4.782 4.985 -0.203 1
1 1186 . 20 1 1 A 112 112 CYS CA C 112 57.100 56.346 0.754 1
1 1187 . 20 1 1 A 112 112 CYS CB C 112 33.700 32.041 1.659 1
1 1188 . 20 1 1 A 112 112 CYS N N 112 122.300 123.222 -0.922 1
1 1189 . 20 1 1 A 113 113 PHE H H 113 8.838 8.317 0.521 1
1 1190 . 20 1 1 A 113 113 PHE HA H 113 5.154 5.350 -0.196 1
1 1197 . 20 1 1 A 113 113 PHE CA C 113 58.650 57.098 1.552 1
1 1198 . 20 1 1 A 113 113 PHE CB C 113 40.210 41.787 -1.577 1
1 1201 . 20 1 1 A 113 113 PHE N N 113 118.974 120.869 -1.895 1
1 1202 . 20 1 1 A 114 114 VAL H H 114 9.079 8.741 0.338 1
1 1203 . 20 1 1 A 114 114 VAL HA H 114 4.472 4.699 -0.227 1
1 1211 . 20 1 1 A 114 114 VAL CA C 114 60.650 60.794 -0.144 1
1 1212 . 20 1 1 A 114 114 VAL CB C 114 35.970 35.921 0.049 1
1 1215 . 20 1 1 A 114 114 VAL N N 114 121.660 120.853 0.807 1
1 1216 . 20 1 1 A 115 115 TYR H H 115 9.672 8.568 1.104 1
1 1217 . 20 1 1 A 115 115 TYR HA H 115 4.988 4.628 0.360 1
1 1224 . 20 1 1 A 115 115 TYR CA C 115 59.240 58.321 0.919 1
1 1225 . 20 1 1 A 115 115 TYR CB C 115 36.925 37.830 -0.905 1
1 1228 . 20 1 1 A 115 115 TYR N N 115 127.830 125.293 2.537 1
1 1229 . 20 1 1 A 116 116 THR H H 116 9.061 8.884 0.177 1
1 1230 . 20 1 1 A 116 116 THR HA H 116 5.435 5.368 0.067 1
1 1235 . 20 1 1 A 116 116 THR CA C 116 60.130 59.875 0.255 1
1 1236 . 20 1 1 A 116 116 THR CB C 116 71.910 72.051 -0.141 1
1 1238 . 20 1 1 A 116 116 THR N N 116 119.130 115.057 4.073 1
1 1239 . 20 1 1 A 117 117 THR H H 117 8.707 8.526 0.181 1
1 1240 . 20 1 1 A 117 117 THR HA H 117 5.561 5.267 0.294 1
1 1245 . 20 1 1 A 117 117 THR CA C 117 60.160 60.288 -0.128 1
1 1246 . 20 1 1 A 117 117 THR CB C 117 70.170 71.480 -1.310 1
1 1248 . 20 1 1 A 117 117 THR N N 117 111.190 115.111 -3.921 1
1 1249 . 20 1 1 A 118 118 ALA H H 118 9.257 8.826 0.431 1
1 1250 . 20 1 1 A 118 118 ALA HA H 118 5.033 4.829 0.204 1
1 1254 . 20 1 1 A 118 118 ALA CA C 118 51.550 52.411 -0.861 1
1 1255 . 20 1 1 A 118 118 ALA CB C 118 20.050 20.442 -0.392 1
1 1256 . 20 1 1 A 118 118 ALA N N 118 132.010 128.256 3.754 1
1 1257 . 20 1 1 A 119 119 THR H H 119 8.628 7.450 1.178 1
1 1258 . 20 1 1 A 119 119 THR HA H 119 4.143 4.364 -0.221 1
1 1263 . 20 1 1 A 119 119 THR CA C 119 60.090 60.434 -0.344 1
1 1264 . 20 1 1 A 119 119 THR CB C 119 68.056 68.893 -0.837 1
1 1266 . 20 1 1 A 119 119 THR N N 119 114.350 113.553 0.797 1
1 1267 . 20 1 1 A 120 120 TYR H H 120 6.281 7.727 -1.446 1
1 1268 . 20 1 1 A 120 120 TYR HA H 120 3.594 5.018 -1.424 1
1 1273 . 20 1 1 A 120 120 TYR CA C 120 53.530 54.834 -1.304 1
1 1274 . 20 1 1 A 120 120 TYR CB C 120 40.072 41.411 -1.339 1
1 1276 . 20 1 1 A 120 120 TYR N N 120 117.205 121.984 -4.779 1
1 1277 . 20 1 1 A 121 121 ALA HA H 121 5.030 4.277 0.753 1
1 1278 . 20 1 1 A 121 121 ALA CA C 121 51.536 50.450 1.086 1
1 1279 . 20 1 1 A 122 122 PRO HA H 122 4.059 4.348 -0.289 1
1 1285 . 20 1 1 A 122 122 PRO CA C 122 65.435 64.732 0.703 1
1 1286 . 20 1 1 A 122 122 PRO CB C 122 31.680 32.033 -0.353 1
1 1289 . 20 1 1 A 123 123 GLU H H 123 9.336 8.985 0.351 1
1 1290 . 20 1 1 A 123 123 GLU HA H 123 4.169 4.266 -0.097 1
1 1294 . 20 1 1 A 123 123 GLU CA C 123 59.100 59.260 -0.160 1
1 1295 . 20 1 1 A 123 123 GLU CB C 123 27.940 29.287 -1.347 1
1 1297 . 20 1 1 A 123 123 GLU N N 123 115.528 116.227 -0.699 1
1 1298 . 20 1 1 A 124 124 TRP H H 124 8.560 8.221 0.339 1
1 1299 . 20 1 1 A 124 124 TRP HA H 124 4.671 4.458 0.213 1
1 1308 . 20 1 1 A 124 124 TRP CA C 124 57.370 60.167 -2.797 1
1 1309 . 20 1 1 A 124 124 TRP CB C 124 28.310 29.181 -0.871 1
1 1315 . 20 1 1 A 124 124 TRP N N 124 123.431 121.038 2.393 1
1 1317 . 20 1 1 A 125 125 LEU H H 125 7.378 7.689 -0.311 1
1 1318 . 20 1 1 A 125 125 LEU HA H 125 4.065 4.249 -0.184 1
1 1328 . 20 1 1 A 125 125 LEU CA C 125 56.060 56.973 -0.913 1
1 1329 . 20 1 1 A 125 125 LEU CB C 125 41.220 41.456 -0.236 1
1 1333 . 20 1 1 A 125 125 LEU N N 125 113.660 120.496 -6.836 1
1 1334 . 20 1 1 A 126 126 PHE H H 126 7.415 7.674 -0.259 1
1 1335 . 20 1 1 A 126 126 PHE HA H 126 4.640 4.564 0.076 1
1 1342 . 20 1 1 A 126 126 PHE CA C 126 56.940 58.992 -2.052 1
1 1343 . 20 1 1 A 126 126 PHE CB C 126 38.670 39.139 -0.469 1
1 1346 . 20 1 1 A 126 126 PHE N N 126 116.360 116.128 0.232 1
1 1347 . 20 1 1 A 127 127 LEU H H 127 7.168 7.157 0.011 1
1 1348 . 20 1 1 A 127 127 LEU HA H 127 4.529 4.563 -0.034 1
1 1358 . 20 1 1 A 127 127 LEU CA C 127 53.580 53.326 0.254 1
1 1359 . 20 1 1 A 127 127 LEU CB C 127 40.832 40.856 -0.024 1
1 1363 . 20 1 1 A 127 127 LEU N N 127 122.990 121.451 1.539 1
1 1364 . 20 1 1 A 128 128 PRO HA H 128 3.986 4.626 -0.640 1
1 1371 . 20 1 1 A 128 128 PRO CA C 128 63.140 63.053 0.087 1
1 1372 . 20 1 1 A 128 128 PRO CB C 128 31.993 32.389 -0.396 1
1 1375 . 20 1 1 A 129 129 TYR H H 129 8.070 8.504 -0.434 1
1 1376 . 20 1 1 A 129 129 TYR HA H 129 5.529 5.208 0.321 1
1 1383 . 20 1 1 A 129 129 TYR CA C 129 52.486 57.700 -5.214 1
1 1384 . 20 1 1 A 129 129 TYR CB C 129 36.760 40.436 -3.676 1
1 1387 . 20 1 1 A 129 129 TYR N N 129 120.100 121.360 -1.260 1
1 1388 . 20 1 1 A 130 130 HIS H H 130 9.193 8.444 0.749 1
1 1389 . 20 1 1 A 130 130 HIS HA H 130 4.733 5.206 -0.473 1
1 1393 . 20 1 1 A 130 130 HIS CA C 130 55.920 54.927 0.993 1
1 1394 . 20 1 1 A 130 130 HIS CB C 130 32.908 34.935 -2.027 1
1 1396 . 20 1 1 A 130 130 HIS N N 130 121.985 118.952 3.033 1
1 1397 . 20 1 1 A 131 131 GLU H H 131 9.093 8.856 0.237 1
1 1398 . 20 1 1 A 131 131 GLU HA H 131 4.277 4.685 -0.408 1
1 1402 . 20 1 1 A 131 131 GLU CA C 131 58.110 56.341 1.769 1
1 1403 . 20 1 1 A 131 131 GLU CB C 131 30.700 31.911 -1.211 1
1 1405 . 20 1 1 A 131 131 GLU N N 131 122.150 121.954 0.196 1
1 1406 . 20 1 1 A 132 132 SER H H 132 7.621 7.936 -0.315 1
1 1407 . 20 1 1 A 132 132 SER HA H 132 4.686 5.086 -0.400 1
1 1410 . 20 1 1 A 132 132 SER CA C 132 56.340 57.650 -1.310 1
1 1411 . 20 1 1 A 132 132 SER CB C 132 65.050 66.354 -1.304 1
1 1412 . 20 1 1 A 132 132 SER N N 132 108.030 113.354 -5.324 1
1 1413 . 20 1 1 A 133 133 TYR H H 133 8.667 8.810 -0.143 1
1 1414 . 20 1 1 A 133 133 TYR HA H 133 4.564 5.114 -0.550 1
1 1419 . 20 1 1 A 133 133 TYR CA C 133 57.910 56.299 1.611 1
1 1420 . 20 1 1 A 133 133 TYR CB C 133 40.720 40.827 -0.107 1
1 1422 . 20 1 1 A 133 133 TYR N N 133 121.977 122.591 -0.614 1
1 1423 . 20 1 1 A 134 134 ASP H H 134 7.303 8.393 -1.090 1
1 1424 . 20 1 1 A 134 134 ASP HA H 134 3.944 5.016 -1.072 1
1 1427 . 20 1 1 A 134 134 ASP CA C 134 52.540 52.829 -0.289 1
1 1428 . 20 1 1 A 134 134 ASP CB C 134 42.900 42.995 -0.095 1
1 1429 . 20 1 1 A 134 134 ASP N N 134 127.820 127.786 0.034 1
1 1430 . 20 1 1 A 135 135 SER H H 135 9.392 8.921 0.471 1
1 1431 . 20 1 1 A 135 135 SER HA H 135 3.945 4.103 -0.158 1
1 1434 . 20 1 1 A 135 135 SER CA C 135 61.770 60.721 1.049 1
1 1435 . 20 1 1 A 135 135 SER CB C 135 63.561 62.718 0.843 1
1 1436 . 20 1 1 A 135 135 SER N N 135 127.670 120.650 7.020 1
1 1437 . 20 1 1 A 136 136 GLU H H 136 7.546 7.979 -0.433 1
1 1438 . 20 1 1 A 136 136 GLU HA H 136 4.233 4.687 -0.454 1
1 1443 . 20 1 1 A 136 136 GLU CA C 136 54.796 55.510 -0.714 1
1 1444 . 20 1 1 A 136 136 GLU CB C 136 28.420 30.116 -1.696 1
1 1446 . 20 1 1 A 136 136 GLU N N 136 113.107 116.630 -3.523 1
1 1447 . 20 1 1 A 137 137 GLY H H 137 7.241 8.442 -1.201 1
1 1448 . 20 1 1 A 137 137 GLY HA2 H 137 3.994 4.097 -0.103 1
1 1449 . 20 1 1 A 137 137 GLY HA3 H 137 3.503 4.109 -0.606 1
1 1450 . 20 1 1 A 137 137 GLY CA C 137 44.880 44.685 0.195 1
1 1451 . 20 1 1 A 137 137 GLY N N 137 104.690 110.444 -5.754 1
1 1452 . 20 1 1 A 138 138 PRO HA H 138 4.211 4.339 -0.128 1
1 1459 . 20 1 1 A 138 138 PRO CA C 138 64.830 64.177 0.653 1
1 1460 . 20 1 1 A 138 138 PRO CB C 138 31.180 31.884 -0.704 1
1 1463 . 20 1 1 A 139 139 HIS H H 139 6.414 7.446 -1.032 1
1 1464 . 20 1 1 A 139 139 HIS HA H 139 4.299 4.228 0.071 1
1 1467 . 20 1 1 A 139 139 HIS CA C 139 55.080 59.142 -4.062 1
1 1468 . 20 1 1 A 139 139 HIS CB C 139 30.260 29.586 0.674 1
1 1470 . 20 1 1 A 139 139 HIS N N 139 116.498 116.093 0.405 1
1 1471 . 20 1 1 A 140 140 GLY H H 140 7.082 8.107 -1.025 1
1 1472 . 20 1 1 A 140 140 GLY HA2 H 140 3.919 3.954 -0.035 1
1 1473 . 20 1 1 A 140 140 GLY HA3 H 140 3.721 3.961 -0.240 1
1 1474 . 20 1 1 A 140 140 GLY CA C 140 46.590 45.369 1.221 1
1 1475 . 20 1 1 A 140 140 GLY N N 140 108.485 106.153 2.332 1
1 1476 . 20 1 1 A 141 141 LEU HA H 141 4.451 4.342 0.109 1
1 1483 . 20 1 1 A 141 141 LEU CA C 141 53.024 54.543 -1.519 1
1 1484 . 20 1 1 A 141 141 LEU CB C 141 39.500 41.130 -1.630 1
1 1487 . 20 1 1 A 142 142 ARG H H 142 7.472 8.249 -0.777 1
1 1488 . 20 1 1 A 142 142 ARG HA H 142 4.724 4.737 -0.013 1
1 1493 . 20 1 1 A 142 142 ARG CA C 142 55.940 54.249 1.691 1
1 1494 . 20 1 1 A 142 142 ARG CB C 142 31.070 31.651 -0.581 1
1 1497 . 20 1 1 A 142 142 ARG N N 142 121.987 121.904 0.083 1
1 1499 . 20 1 1 A 143 143 TYR H H 143 8.487 8.996 -0.509 1
1 1500 . 20 1 1 A 143 143 TYR HA H 143 4.474 4.828 -0.354 1
1 1507 . 20 1 1 A 143 143 TYR CA C 143 59.015 59.304 -0.289 1
1 1508 . 20 1 1 A 143 143 TYR CB C 143 38.720 39.562 -0.842 1
1 1511 . 20 1 1 A 143 143 TYR N N 143 127.896 122.621 5.275 1
1 1512 . 20 1 1 A 144 144 ASN H H 144 7.805 7.394 0.411 1
1 1513 . 20 1 1 A 144 144 ASN HA H 144 4.892 5.250 -0.358 1
1 1518 . 20 1 1 A 144 144 ASN CA C 144 50.120 50.201 -0.081 1
1 1519 . 20 1 1 A 144 144 ASN CB C 144 39.360 39.501 -0.141 1
1 1520 . 20 1 1 A 144 144 ASN N N 144 125.629 126.041 -0.412 1
1 1522 . 20 1 1 A 145 145 PRO HA H 145 3.975 4.257 -0.282 1
1 1528 . 20 1 1 A 145 145 PRO CA C 145 63.140 63.448 -0.308 1
1 1529 . 20 1 1 A 145 145 PRO CB C 145 32.386 32.101 0.285 1
1 1532 . 20 1 1 A 146 146 ARG H H 146 8.055 7.835 0.220 1
1 1533 . 20 1 1 A 146 146 ARG HA H 146 3.918 3.988 -0.070 1
1 1541 . 20 1 1 A 146 146 ARG CA C 146 56.740 57.325 -0.585 1
1 1542 . 20 1 1 A 146 146 ARG CB C 146 30.430 29.396 1.034 1
1 1545 . 20 1 1 A 146 146 ARG N N 146 120.069 119.114 0.955 1
1 1547 . 20 1 1 A 147 147 GLU H H 147 8.440 8.217 0.223 1
1 1548 . 20 1 1 A 147 147 GLU HA H 147 4.167 4.155 0.012 1
1 1552 . 20 1 1 A 147 147 GLU CA C 147 56.710 58.531 -1.821 1
1 1553 . 20 1 1 A 147 147 GLU CB C 147 30.150 28.670 1.480 1
1 1555 . 20 1 1 A 147 147 GLU N N 147 120.760 119.319 1.441 1
1 1556 . 20 1 1 A 148 148 ASN H H 148 8.363 8.117 0.246 1
1 1557 . 20 1 1 A 148 148 ASN HA H 148 4.652 4.962 -0.310 1
1 1562 . 20 1 1 A 148 148 ASN CA C 148 53.240 52.538 0.702 1
1 1563 . 20 1 1 A 148 148 ASN CB C 148 38.840 39.813 -0.973 1
1 1564 . 20 1 1 A 148 148 ASN N N 148 120.210 115.231 4.979 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 146 1.420 1
3 1 1 1 "RMS(OBS, PRED)" CB 132 1.387 1
4 1 1 1 "RMS(OBS, PRED)" H 133 0.611 1
5 1 1 1 "RMS(OBS, PRED)" HA 161 0.431 1
6 1 1 1 "RMS(OBS, PRED)" N 133 3.417 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 146 1.274 1
9 1 2 1 "RMS(OBS, PRED)" CB 132 1.463 1
10 1 2 1 "RMS(OBS, PRED)" H 133 0.639 1
11 1 2 1 "RMS(OBS, PRED)" HA 161 0.449 1
12 1 2 1 "RMS(OBS, PRED)" N 133 3.469 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 146 1.368 1
15 1 3 1 "RMS(OBS, PRED)" CB 132 1.246 1
16 1 3 1 "RMS(OBS, PRED)" H 133 0.653 1
17 1 3 1 "RMS(OBS, PRED)" HA 161 0.442 1
18 1 3 1 "RMS(OBS, PRED)" N 133 3.328 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 146 1.344 1
21 1 4 1 "RMS(OBS, PRED)" CB 132 1.305 1
22 1 4 1 "RMS(OBS, PRED)" H 133 0.613 1
23 1 4 1 "RMS(OBS, PRED)" HA 161 0.404 1
24 1 4 1 "RMS(OBS, PRED)" N 133 3.415 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 146 1.362 1
27 1 5 1 "RMS(OBS, PRED)" CB 132 1.303 1
28 1 5 1 "RMS(OBS, PRED)" H 133 0.611 1
29 1 5 1 "RMS(OBS, PRED)" HA 161 0.447 1
30 1 5 1 "RMS(OBS, PRED)" N 133 3.340 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 146 1.386 1
33 1 6 1 "RMS(OBS, PRED)" CB 132 1.408 1
34 1 6 1 "RMS(OBS, PRED)" H 133 0.605 1
35 1 6 1 "RMS(OBS, PRED)" HA 161 0.464 1
36 1 6 1 "RMS(OBS, PRED)" N 133 3.378 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 146 1.372 1
39 1 7 1 "RMS(OBS, PRED)" CB 132 1.437 1
40 1 7 1 "RMS(OBS, PRED)" H 133 0.644 1
41 1 7 1 "RMS(OBS, PRED)" HA 161 0.430 1
42 1 7 1 "RMS(OBS, PRED)" N 133 3.186 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 146 1.367 1
45 1 8 1 "RMS(OBS, PRED)" CB 132 1.430 1
46 1 8 1 "RMS(OBS, PRED)" H 133 0.604 1
47 1 8 1 "RMS(OBS, PRED)" HA 161 0.448 1
48 1 8 1 "RMS(OBS, PRED)" N 133 3.617 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 146 1.400 1
51 1 9 1 "RMS(OBS, PRED)" CB 132 1.411 1
52 1 9 1 "RMS(OBS, PRED)" H 133 0.627 1
53 1 9 1 "RMS(OBS, PRED)" HA 161 0.483 1
54 1 9 1 "RMS(OBS, PRED)" N 133 3.834 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 146 1.354 1
57 1 10 1 "RMS(OBS, PRED)" CB 132 1.302 1
58 1 10 1 "RMS(OBS, PRED)" H 133 0.631 1
59 1 10 1 "RMS(OBS, PRED)" HA 161 0.435 1
60 1 10 1 "RMS(OBS, PRED)" N 133 3.541 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 146 1.352 1
63 1 11 1 "RMS(OBS, PRED)" CB 132 1.292 1
64 1 11 1 "RMS(OBS, PRED)" H 133 0.688 1
65 1 11 1 "RMS(OBS, PRED)" HA 161 0.432 1
66 1 11 1 "RMS(OBS, PRED)" N 133 3.505 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 146 1.423 1
69 1 12 1 "RMS(OBS, PRED)" CB 132 1.288 1
70 1 12 1 "RMS(OBS, PRED)" H 133 0.625 1
71 1 12 1 "RMS(OBS, PRED)" HA 161 0.423 1
72 1 12 1 "RMS(OBS, PRED)" N 133 3.489 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 146 1.359 1
75 1 13 1 "RMS(OBS, PRED)" CB 132 1.254 1
76 1 13 1 "RMS(OBS, PRED)" H 133 0.583 1
77 1 13 1 "RMS(OBS, PRED)" HA 161 0.432 1
78 1 13 1 "RMS(OBS, PRED)" N 133 3.484 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 146 1.437 1
81 1 14 1 "RMS(OBS, PRED)" CB 132 1.430 1
82 1 14 1 "RMS(OBS, PRED)" H 133 0.620 1
83 1 14 1 "RMS(OBS, PRED)" HA 161 0.450 1
84 1 14 1 "RMS(OBS, PRED)" N 133 3.277 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 146 1.324 1
87 1 15 1 "RMS(OBS, PRED)" CB 132 1.399 1
88 1 15 1 "RMS(OBS, PRED)" H 133 0.604 1
89 1 15 1 "RMS(OBS, PRED)" HA 161 0.458 1
90 1 15 1 "RMS(OBS, PRED)" N 133 3.198 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 146 1.387 1
93 1 16 1 "RMS(OBS, PRED)" CB 132 1.327 1
94 1 16 1 "RMS(OBS, PRED)" H 133 0.616 1
95 1 16 1 "RMS(OBS, PRED)" HA 161 0.439 1
96 1 16 1 "RMS(OBS, PRED)" N 133 3.279 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 146 1.414 1
99 1 17 1 "RMS(OBS, PRED)" CB 132 1.453 1
100 1 17 1 "RMS(OBS, PRED)" H 133 0.658 1
101 1 17 1 "RMS(OBS, PRED)" HA 161 0.468 1
102 1 17 1 "RMS(OBS, PRED)" N 133 3.503 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 146 1.426 1
105 1 18 1 "RMS(OBS, PRED)" CB 132 1.458 1
106 1 18 1 "RMS(OBS, PRED)" H 133 0.647 1
107 1 18 1 "RMS(OBS, PRED)" HA 161 0.451 1
108 1 18 1 "RMS(OBS, PRED)" N 133 3.225 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 146 1.324 1
111 1 19 1 "RMS(OBS, PRED)" CB 132 1.356 1
112 1 19 1 "RMS(OBS, PRED)" H 133 0.613 1
113 1 19 1 "RMS(OBS, PRED)" HA 161 0.458 1
114 1 19 1 "RMS(OBS, PRED)" N 133 3.611 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 146 1.297 1
117 1 20 1 "RMS(OBS, PRED)" CB 132 1.236 1
118 1 20 1 "RMS(OBS, PRED)" H 133 0.603 1
119 1 20 1 "RMS(OBS, PRED)" HA 161 0.464 1
120 1 20 1 "RMS(OBS, PRED)" N 133 3.093 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 ALA HA H 2 4.182 4.707 -0.525 2
1 5 . 1 1 A 2 2 ALA CA C 2 51.510 51.531 -0.021 2
1 6 . 1 1 A 2 2 ALA CB C 2 20.090 21.185 -1.095 2
1 7 . 1 1 A 3 3 HIS H H 3 9.173 8.781 0.392 2
1 8 . 1 1 A 3 3 HIS HA H 3 5.839 5.184 0.655 2
1 12 . 1 1 A 3 3 HIS CA C 3 56.960 55.765 1.195 2
1 13 . 1 1 A 3 3 HIS CB C 3 32.820 31.742 1.078 2
1 15 . 1 1 A 3 3 HIS N N 3 118.801 119.225 -0.424 2
1 16 . 1 1 A 4 4 ILE H H 4 9.494 9.053 0.441 2
1 17 . 1 1 A 4 4 ILE HA H 4 5.508 5.245 0.263 2
1 27 . 1 1 A 4 4 ILE CA C 4 58.300 59.379 -1.079 2
1 28 . 1 1 A 4 4 ILE CB C 4 41.930 42.141 -0.211 2
1 32 . 1 1 A 4 4 ILE N N 4 118.202 117.842 0.360 2
1 33 . 1 1 A 5 5 PHE H H 5 8.815 8.764 0.051 2
1 34 . 1 1 A 5 5 PHE HA H 5 5.789 5.401 0.388 2
1 42 . 1 1 A 5 5 PHE CA C 5 55.153 56.290 -1.137 2
1 43 . 1 1 A 5 5 PHE CB C 5 40.740 42.511 -1.771 2
1 47 . 1 1 A 5 5 PHE N N 5 126.107 124.126 1.981 2
1 48 . 1 1 A 6 6 VAL H H 6 9.078 8.014 1.063 2
1 49 . 1 1 A 6 6 VAL HA H 6 4.357 4.403 -0.046 2
1 57 . 1 1 A 6 6 VAL CA C 6 59.157 60.408 -1.251 2
1 58 . 1 1 A 6 6 VAL CB C 6 33.473 33.506 -0.033 2
1 61 . 1 1 A 6 6 VAL N N 6 118.658 122.799 -4.142 2
1 62 . 1 1 A 7 7 TYR H H 7 6.878 8.422 -1.544 2
1 63 . 1 1 A 7 7 TYR HA H 7 4.170 4.466 -0.296 2
1 66 . 1 1 A 7 7 TYR CB C 7 36.608 39.331 -2.723 2
1 67 . 1 1 A 7 7 TYR N N 7 116.860 125.400 -8.540 2
1 68 . 1 1 A 8 8 GLY HA2 H 8 4.195 3.860 0.335 2
1 69 . 1 1 A 8 8 GLY HA3 H 8 2.933 4.006 -1.073 2
1 70 . 1 1 A 8 8 GLY CA C 8 46.169 45.330 0.839 2
1 71 . 1 1 A 9 9 THR H H 9 7.618 7.926 -0.308 2
1 72 . 1 1 A 9 9 THR HA H 9 3.831 4.154 -0.323 2
1 77 . 1 1 A 9 9 THR CA C 9 64.570 64.058 0.512 2
1 78 . 1 1 A 9 9 THR CB C 9 68.494 69.023 -0.529 2
1 80 . 1 1 A 9 9 THR N N 9 115.934 113.023 2.911 2
1 81 . 1 1 A 10 10 LEU H H 10 7.561 7.497 0.064 2
1 82 . 1 1 A 10 10 LEU HA H 10 3.673 4.316 -0.643 2
1 92 . 1 1 A 10 10 LEU CA C 10 55.950 53.701 2.249 2
1 93 . 1 1 A 10 10 LEU CB C 10 41.610 42.072 -0.462 2
1 97 . 1 1 A 10 10 LEU N N 10 120.151 120.550 -0.399 2
1 98 . 1 1 A 11 11 LYS H H 11 6.738 7.988 -1.250 2
1 99 . 1 1 A 11 11 LYS HA H 11 4.007 4.556 -0.549 2
1 103 . 1 1 A 11 11 LYS CA C 11 57.390 57.545 -0.155 2
1 104 . 1 1 A 11 11 LYS CB C 11 34.322 33.876 0.446 2
1 106 . 1 1 A 11 11 LYS N N 11 116.295 120.784 -4.489 2
1 107 . 1 1 A 12 12 ARG H H 12 9.432 8.285 1.147 2
1 108 . 1 1 A 12 12 ARG HA H 12 2.029 4.252 -2.223 2
1 115 . 1 1 A 12 12 ARG CA C 12 58.420 58.371 0.049 2
1 116 . 1 1 A 12 12 ARG CB C 12 29.190 30.884 -1.694 2
1 119 . 1 1 A 12 12 ARG N N 12 120.863 119.219 1.644 2
1 120 . 1 1 A 13 13 GLY H H 13 8.048 7.504 0.544 2
1 121 . 1 1 A 13 13 GLY HA2 H 13 3.990 4.049 -0.059 2
1 122 . 1 1 A 13 13 GLY HA3 H 13 3.538 4.102 -0.564 2
1 123 . 1 1 A 13 13 GLY CA C 13 45.490 45.617 -0.127 2
1 124 . 1 1 A 13 13 GLY N N 13 111.120 105.235 5.885 2
1 125 . 1 1 A 14 14 GLN H H 14 7.904 7.820 0.084 2
1 126 . 1 1 A 14 14 GLN HA H 14 4.682 4.539 0.143 2
1 133 . 1 1 A 14 14 GLN CA C 14 53.440 54.210 -0.770 2
1 134 . 1 1 A 14 14 GLN CB C 14 27.115 28.697 -1.582 2
1 136 . 1 1 A 14 14 GLN N N 14 117.811 120.323 -2.512 2
1 138 . 1 1 A 15 15 PRO HA H 15 4.342 4.479 -0.137 2
1 145 . 1 1 A 15 15 PRO CA C 15 66.870 64.385 2.485 2
1 146 . 1 1 A 15 15 PRO CB C 15 34.060 31.600 2.460 2
1 149 . 1 1 A 16 16 ASN H H 16 8.287 8.538 -0.251 2
1 150 . 1 1 A 16 16 ASN HA H 16 5.356 4.794 0.562 2
1 155 . 1 1 A 16 16 ASN CA C 16 52.230 54.282 -2.052 2
1 156 . 1 1 A 16 16 ASN CB C 16 39.030 38.988 0.042 2
1 157 . 1 1 A 16 16 ASN N N 16 110.638 116.376 -5.738 2
1 159 . 1 1 A 17 17 HIS H H 17 7.819 7.959 -0.140 2
1 160 . 1 1 A 17 17 HIS HA H 17 3.815 4.094 -0.279 2
1 164 . 1 1 A 17 17 HIS CA C 17 60.140 59.916 0.224 2
1 165 . 1 1 A 17 17 HIS CB C 17 27.680 29.859 -2.179 2
1 167 . 1 1 A 17 17 HIS N N 17 121.058 120.595 0.463 2
1 168 . 1 1 A 18 18 LYS H H 18 8.326 8.162 0.164 2
1 169 . 1 1 A 18 18 LYS HA H 18 3.695 4.015 -0.320 2
1 175 . 1 1 A 18 18 LYS CA C 18 58.890 58.769 0.121 2
1 176 . 1 1 A 18 18 LYS CB C 18 31.070 31.646 -0.576 2
1 180 . 1 1 A 18 18 LYS N N 18 112.812 117.499 -4.687 2
1 181 . 1 1 A 19 19 VAL H H 19 7.373 7.756 -0.383 2
1 182 . 1 1 A 19 19 VAL HA H 19 3.816 3.832 -0.016 2
1 190 . 1 1 A 19 19 VAL CA C 19 64.960 65.034 -0.075 2
1 191 . 1 1 A 19 19 VAL CB C 19 30.960 31.256 -0.296 2
1 194 . 1 1 A 19 19 VAL N N 19 117.691 116.379 1.312 2
1 195 . 1 1 A 20 20 MET H H 20 7.329 7.955 -0.626 2
1 196 . 1 1 A 20 20 MET HA H 20 3.951 4.278 -0.327 2
1 204 . 1 1 A 20 20 MET CA C 20 55.560 56.662 -1.102 2
1 205 . 1 1 A 20 20 MET CB C 20 31.460 31.911 -0.451 2
1 208 . 1 1 A 20 20 MET N N 20 114.870 118.881 -4.011 2
1 209 . 1 1 A 21 21 LEU H H 21 6.718 7.619 -0.901 2
1 210 . 1 1 A 21 21 LEU HA H 21 4.091 4.409 -0.318 2
1 220 . 1 1 A 21 21 LEU CA C 21 54.140 54.803 -0.663 2
1 221 . 1 1 A 21 21 LEU CB C 21 42.310 41.907 0.403 2
1 225 . 1 1 A 21 21 LEU N N 21 116.021 118.066 -2.045 2
1 226 . 1 1 A 22 22 ASP H H 22 6.399 7.409 -1.010 2
1 227 . 1 1 A 22 22 ASP HA H 22 4.288 4.769 -0.481 2
1 229 . 1 1 A 22 22 ASP CA C 22 52.776 53.025 -0.249 2
1 230 . 1 1 A 22 22 ASP CB C 22 40.180 40.838 -0.658 2
1 231 . 1 1 A 22 22 ASP N N 22 117.972 119.858 -1.886 2
1 232 . 1 1 A 23 23 HIS H H 23 8.601 8.647 -0.046 2
1 233 . 1 1 A 23 23 HIS HA H 23 4.848 4.203 0.645 2
1 237 . 1 1 A 23 23 HIS CA C 23 55.800 58.940 -3.140 2
1 238 . 1 1 A 23 23 HIS CB C 23 27.860 29.945 -2.085 2
1 240 . 1 1 A 23 23 HIS N N 23 123.395 124.881 -1.486 2
1 241 . 1 1 A 24 24 SER H H 24 8.526 8.018 0.508 2
1 242 . 1 1 A 24 24 SER HA H 24 4.105 4.000 0.105 2
1 244 . 1 1 A 24 24 SER CA C 24 60.870 61.249 -0.379 2
1 245 . 1 1 A 24 24 SER CB C 24 62.510 63.176 -0.666 2
1 246 . 1 1 A 24 24 SER N N 24 117.035 114.644 2.391 2
1 247 . 1 1 A 25 25 HIS H H 25 7.450 7.768 -0.318 2
1 248 . 1 1 A 25 25 HIS HA H 25 4.494 4.104 0.390 2
1 252 . 1 1 A 25 25 HIS CA C 25 53.900 56.954 -3.054 2
1 253 . 1 1 A 25 25 HIS CB C 25 28.320 29.438 -1.118 2
1 255 . 1 1 A 25 25 HIS N N 25 117.560 117.149 0.411 2
1 256 . 1 1 A 26 26 GLY H H 26 6.926 7.097 -0.171 2
1 257 . 1 1 A 26 26 GLY HA2 H 26 3.587 3.836 -0.249 2
1 258 . 1 1 A 26 26 GLY HA3 H 26 4.362 3.943 0.419 2
1 259 . 1 1 A 26 26 GLY CA C 26 43.730 44.364 -0.634 2
1 260 . 1 1 A 26 26 GLY N N 26 103.120 105.511 -2.391 2
1 261 . 1 1 A 27 27 LEU H H 27 8.579 8.535 0.044 2
1 262 . 1 1 A 27 27 LEU HA H 27 4.327 4.802 -0.475 2
1 271 . 1 1 A 27 27 LEU CA C 27 54.520 54.772 -0.252 2
1 272 . 1 1 A 27 27 LEU CB C 27 44.250 43.220 1.030 2
1 276 . 1 1 A 27 27 LEU N N 27 121.940 121.500 0.440 2
1 277 . 1 1 A 28 28 ALA H H 28 7.776 8.709 -0.933 2
1 278 . 1 1 A 28 28 ALA HA H 28 5.231 5.414 -0.183 2
1 282 . 1 1 A 28 28 ALA CA C 28 50.990 51.065 -0.075 2
1 283 . 1 1 A 28 28 ALA CB C 28 22.580 22.428 0.152 2
1 284 . 1 1 A 28 28 ALA N N 28 123.020 128.266 -5.246 2
1 285 . 1 1 A 29 29 ALA H H 29 9.231 8.832 0.399 2
1 286 . 1 1 A 29 29 ALA HA H 29 4.857 5.220 -0.363 2
1 290 . 1 1 A 29 29 ALA CA C 29 50.661 50.800 -0.139 2
1 291 . 1 1 A 29 29 ALA CB C 29 21.140 22.522 -1.382 2
1 292 . 1 1 A 29 29 ALA N N 29 125.760 123.069 2.691 2
1 293 . 1 1 A 30 30 PHE H H 30 9.083 9.113 -0.030 2
1 294 . 1 1 A 30 30 PHE HA H 30 3.397 4.300 -0.903 2
1 301 . 1 1 A 30 30 PHE CA C 30 59.895 57.813 2.082 2
1 302 . 1 1 A 30 30 PHE CB C 30 38.810 38.920 -0.110 2
1 305 . 1 1 A 30 30 PHE N N 30 126.590 124.038 2.552 2
1 306 . 1 1 A 31 31 ARG H H 31 8.102 8.417 -0.315 2
1 307 . 1 1 A 31 31 ARG HA H 31 3.941 4.126 -0.185 2
1 314 . 1 1 A 31 31 ARG CA C 31 53.120 54.442 -1.322 2
1 315 . 1 1 A 31 31 ARG CB C 31 31.665 29.963 1.702 2
1 318 . 1 1 A 31 31 ARG N N 31 125.007 127.658 -2.651 2
1 320 . 1 1 A 32 32 GLY H H 32 5.465 7.200 -1.735 2
1 321 . 1 1 A 32 32 GLY HA2 H 32 3.264 3.591 -0.327 2
1 322 . 1 1 A 32 32 GLY HA3 H 32 4.670 3.802 0.868 2
1 323 . 1 1 A 32 32 GLY CA C 32 45.150 44.195 0.955 2
1 324 . 1 1 A 32 32 GLY N N 32 101.400 111.714 -10.314 2
1 325 . 1 1 A 33 33 ARG H H 33 8.345 8.367 -0.021 2
1 326 . 1 1 A 33 33 ARG HA H 33 5.158 5.112 0.046 2
1 332 . 1 1 A 33 33 ARG CA C 33 54.924 54.383 0.541 2
1 333 . 1 1 A 33 33 ARG CB C 33 34.180 34.191 -0.011 2
1 336 . 1 1 A 33 33 ARG N N 33 116.822 118.654 -1.832 2
1 338 . 1 1 A 34 34 GLY H H 34 8.549 8.396 0.153 2
1 339 . 1 1 A 34 34 GLY HA2 H 34 5.154 4.379 0.775 2
1 340 . 1 1 A 34 34 GLY HA3 H 34 3.752 4.436 -0.684 2
1 341 . 1 1 A 34 34 GLY CA C 34 45.620 45.880 -0.260 2
1 342 . 1 1 A 34 34 GLY N N 34 107.400 107.276 0.124 2
1 343 . 1 1 A 35 35 CYS H H 35 8.803 8.355 0.448 2
1 344 . 1 1 A 35 35 CYS HA H 35 5.893 5.600 0.293 2
1 347 . 1 1 A 35 35 CYS CA C 35 55.420 57.576 -2.156 2
1 348 . 1 1 A 35 35 CYS CB C 35 30.960 31.451 -0.491 2
1 349 . 1 1 A 35 35 CYS N N 35 117.781 117.915 -0.134 2
1 350 . 1 1 A 36 36 THR H H 36 9.033 8.785 0.248 2
1 351 . 1 1 A 36 36 THR HA H 36 3.835 4.382 -0.547 2
1 356 . 1 1 A 36 36 THR CA C 36 64.160 61.512 2.648 2
1 357 . 1 1 A 36 36 THR CB C 36 68.200 68.708 -0.508 2
1 359 . 1 1 A 36 36 THR N N 36 117.973 114.873 3.100 2
1 360 . 1 1 A 37 37 VAL H H 37 7.545 8.214 -0.669 2
1 361 . 1 1 A 37 37 VAL HA H 37 3.709 3.807 -0.098 2
1 369 . 1 1 A 37 37 VAL CA C 37 65.740 65.467 0.273 2
1 370 . 1 1 A 37 37 VAL CB C 37 32.410 31.634 0.776 2
1 373 . 1 1 A 37 37 VAL N N 37 121.706 123.143 -1.437 2
1 374 . 1 1 A 38 38 GLU H H 38 8.540 7.688 0.852 2
1 375 . 1 1 A 38 38 GLU HA H 38 4.264 4.175 0.089 2
1 380 . 1 1 A 38 38 GLU CA C 38 54.260 56.382 -2.122 2
1 381 . 1 1 A 38 38 GLU CB C 38 30.770 29.960 0.810 2
1 383 . 1 1 A 38 38 GLU N N 38 119.219 122.670 -3.451 2
1 384 . 1 1 A 39 39 SER H H 39 8.692 8.197 0.495 2
1 385 . 1 1 A 39 39 SER HA H 39 4.035 4.468 -0.433 2
1 388 . 1 1 A 39 39 SER CA C 39 57.370 59.384 -2.014 2
1 389 . 1 1 A 39 39 SER CB C 39 63.760 63.724 0.036 2
1 390 . 1 1 A 39 39 SER N N 39 118.941 119.691 -0.750 2
1 391 . 1 1 A 40 40 PHE H H 40 8.302 8.936 -0.634 2
1 392 . 1 1 A 40 40 PHE HA H 40 4.986 4.875 0.111 2
1 400 . 1 1 A 40 40 PHE CA C 40 57.320 55.629 1.691 2
1 401 . 1 1 A 40 40 PHE CB C 40 44.292 42.571 1.721 2
1 405 . 1 1 A 40 40 PHE N N 40 119.300 121.992 -2.692 2
1 406 . 1 1 A 41 41 PRO HA H 41 3.828 4.226 -0.398 2
1 413 . 1 1 A 41 41 PRO CA C 41 62.270 62.112 0.158 2
1 414 . 1 1 A 41 41 PRO CB C 41 30.790 30.125 0.665 2
1 417 . 1 1 A 42 42 LEU H H 42 7.964 8.395 -0.431 2
1 418 . 1 1 A 42 42 LEU HA H 42 5.352 4.927 0.425 2
1 427 . 1 1 A 42 42 LEU CA C 42 53.830 54.187 -0.357 2
1 428 . 1 1 A 42 42 LEU CB C 42 42.380 43.210 -0.830 2
1 431 . 1 1 A 42 42 LEU N N 42 129.948 124.099 5.849 2
1 432 . 1 1 A 43 43 VAL H H 43 8.607 8.908 -0.301 2
1 433 . 1 1 A 43 43 VAL HA H 43 5.296 5.046 0.250 2
1 441 . 1 1 A 43 43 VAL CA C 43 58.040 59.917 -1.877 2
1 442 . 1 1 A 43 43 VAL CB C 43 35.220 34.707 0.513 2
1 445 . 1 1 A 43 43 VAL N N 43 117.190 122.072 -4.882 2
1 446 . 1 1 A 44 44 ILE H H 44 9.056 8.703 0.353 2
1 447 . 1 1 A 44 44 ILE HA H 44 4.426 4.623 -0.197 2
1 457 . 1 1 A 44 44 ILE CA C 44 61.156 60.578 0.578 2
1 458 . 1 1 A 44 44 ILE CB C 44 38.544 38.206 0.338 2
1 462 . 1 1 A 44 44 ILE N N 44 122.963 125.352 -2.389 2
1 463 . 1 1 A 45 45 ALA H H 45 8.701 8.255 0.446 2
1 464 . 1 1 A 45 45 ALA HA H 45 4.626 4.633 -0.007 2
1 468 . 1 1 A 45 45 ALA CA C 45 51.430 50.909 0.521 2
1 469 . 1 1 A 45 45 ALA CB C 45 21.670 20.927 0.743 2
1 470 . 1 1 A 45 45 ALA N N 45 126.347 128.831 -2.484 2
1 471 . 1 1 A 46 46 GLY H H 46 8.486 8.621 -0.135 2
1 472 . 1 1 A 46 46 GLY HA2 H 46 4.587 4.228 0.359 2
1 473 . 1 1 A 46 46 GLY HA3 H 46 4.084 4.255 -0.171 2
1 474 . 1 1 A 46 46 GLY CA C 46 44.500 44.913 -0.413 2
1 475 . 1 1 A 46 46 GLY N N 46 108.262 106.998 1.264 2
1 476 . 1 1 A 47 47 GLU H H 47 8.938 8.898 0.040 2
1 477 . 1 1 A 47 47 GLU HA H 47 4.003 4.277 -0.274 2
1 480 . 1 1 A 47 47 GLU CA C 47 58.820 57.876 0.944 2
1 481 . 1 1 A 47 47 GLU CB C 47 29.500 29.994 -0.494 2
1 482 . 1 1 A 47 47 GLU N N 47 118.010 121.483 -3.473 2
1 483 . 1 1 A 48 48 HIS H H 48 8.742 7.790 0.952 2
1 484 . 1 1 A 48 48 HIS HA H 48 4.704 4.650 0.054 2
1 488 . 1 1 A 48 48 HIS CA C 48 55.130 55.644 -0.514 2
1 489 . 1 1 A 48 48 HIS CB C 48 29.110 30.109 -0.999 2
1 491 . 1 1 A 48 48 HIS N N 48 115.306 114.922 0.384 2
1 492 . 1 1 A 49 49 ASN H H 49 7.810 7.938 -0.128 2
1 493 . 1 1 A 49 49 ASN HA H 49 3.878 4.194 -0.316 2
1 498 . 1 1 A 49 49 ASN CA C 49 53.876 54.234 -0.358 2
1 499 . 1 1 A 49 49 ASN CB C 49 36.030 36.833 -0.803 2
1 500 . 1 1 A 49 49 ASN N N 49 114.919 114.204 0.715 2
1 502 . 1 1 A 50 50 ILE H H 50 7.046 7.883 -0.837 2
1 503 . 1 1 A 50 50 ILE HA H 50 4.022 4.423 -0.401 2
1 513 . 1 1 A 50 50 ILE CA C 50 59.430 58.009 1.421 2
1 514 . 1 1 A 50 50 ILE CB C 50 41.326 38.305 3.021 2
1 518 . 1 1 A 50 50 ILE N N 50 120.995 119.938 1.057 2
1 519 . 1 1 A 51 51 PRO HA H 51 5.194 4.594 0.600 2
1 521 . 1 1 A 51 51 PRO CA C 51 60.560 62.553 -1.993 2
1 522 . 1 1 A 51 51 PRO CB C 51 31.841 32.084 -0.243 2
1 523 . 1 1 A 52 52 TRP H H 52 9.564 8.545 1.019 2
1 524 . 1 1 A 52 52 TRP HA H 52 4.805 5.287 -0.482 2
1 532 . 1 1 A 52 52 TRP CA C 52 56.550 56.040 0.510 2
1 533 . 1 1 A 52 52 TRP CB C 52 32.300 32.450 -0.150 2
1 539 . 1 1 A 52 52 TRP N N 52 123.070 122.891 0.179 2
1 541 . 1 1 A 53 53 LEU H H 53 7.227 9.033 -1.806 2
1 542 . 1 1 A 53 53 LEU HA H 53 4.863 4.875 -0.012 2
1 552 . 1 1 A 53 53 LEU CA C 53 53.790 54.329 -0.539 2
1 553 . 1 1 A 53 53 LEU CB C 53 42.250 43.469 -1.219 2
1 557 . 1 1 A 53 53 LEU N N 53 124.700 125.120 -0.420 2
1 558 . 1 1 A 54 54 LEU H H 54 9.021 8.489 0.532 2
1 559 . 1 1 A 54 54 LEU HA H 54 4.618 4.474 0.144 2
1 569 . 1 1 A 54 54 LEU CA C 54 54.030 55.127 -1.097 2
1 570 . 1 1 A 54 54 LEU CB C 54 40.360 41.905 -1.545 2
1 574 . 1 1 A 54 54 LEU N N 54 126.893 127.011 -0.118 2
1 575 . 1 1 A 55 55 TYR H H 55 8.884 8.937 -0.053 2
1 576 . 1 1 A 55 55 TYR HA H 55 4.562 4.768 -0.206 2
1 583 . 1 1 A 55 55 TYR CA C 55 58.420 57.012 1.408 2
1 584 . 1 1 A 55 55 TYR CB C 55 36.180 38.346 -2.166 2
1 587 . 1 1 A 55 55 TYR N N 55 123.430 125.277 -1.847 2
1 588 . 1 1 A 56 56 LEU H H 56 8.192 8.684 -0.492 2
1 589 . 1 1 A 56 56 LEU HA H 56 4.530 4.775 -0.245 2
1 598 . 1 1 A 56 56 LEU CA C 56 51.720 51.751 -0.031 2
1 599 . 1 1 A 56 56 LEU CB C 56 43.260 43.328 -0.068 2
1 602 . 1 1 A 56 56 LEU N N 56 130.832 128.724 2.108 2
1 603 . 1 1 A 57 57 PRO HA H 57 3.779 3.448 0.331 2
1 610 . 1 1 A 57 57 PRO CA C 57 62.240 63.294 -1.054 2
1 611 . 1 1 A 57 57 PRO CB C 57 31.130 31.211 -0.081 2
1 614 . 1 1 A 58 58 GLY H H 58 8.908 8.573 0.335 2
1 615 . 1 1 A 58 58 GLY HA2 H 58 4.027 3.758 0.269 2
1 616 . 1 1 A 58 58 GLY HA3 H 58 3.433 3.781 -0.348 2
1 617 . 1 1 A 58 58 GLY CA C 58 44.860 45.352 -0.492 2
1 618 . 1 1 A 58 58 GLY N N 58 112.351 111.698 0.653 2
1 619 . 1 1 A 59 59 LYS H H 59 7.214 7.258 -0.044 2
1 620 . 1 1 A 59 59 LYS HA H 59 4.386 4.663 -0.277 2
1 629 . 1 1 A 59 59 LYS CA C 59 53.760 55.010 -1.250 2
1 630 . 1 1 A 59 59 LYS CB C 59 34.590 35.210 -0.620 2
1 634 . 1 1 A 59 59 LYS N N 59 121.458 120.600 0.858 2
1 635 . 1 1 A 60 60 GLY H H 60 8.312 8.276 0.036 2
1 636 . 1 1 A 60 60 GLY HA2 H 60 3.379 3.428 -0.049 2
1 637 . 1 1 A 60 60 GLY HA3 H 60 3.229 3.579 -0.349 2
1 638 . 1 1 A 60 60 GLY CA C 60 45.350 45.152 0.198 2
1 639 . 1 1 A 60 60 GLY N N 60 103.990 112.116 -8.126 2
1 640 . 1 1 A 61 61 HIS H H 61 7.880 8.078 -0.198 2
1 641 . 1 1 A 61 61 HIS HA H 61 4.868 5.303 -0.435 2
1 645 . 1 1 A 61 61 HIS CA C 61 53.920 54.765 -0.845 2
1 646 . 1 1 A 61 61 HIS CB C 61 33.020 33.796 -0.776 2
1 648 . 1 1 A 61 61 HIS N N 61 121.221 119.518 1.703 2
1 649 . 1 1 A 62 62 CYS H H 62 8.760 8.683 0.077 2
1 650 . 1 1 A 62 62 CYS HA H 62 4.248 4.838 -0.590 2
1 653 . 1 1 A 62 62 CYS CA C 62 61.730 58.053 3.677 2
1 654 . 1 1 A 62 62 CYS CB C 62 26.560 27.793 -1.233 2
1 655 . 1 1 A 62 62 CYS N N 62 121.842 120.640 1.202 2
1 656 . 1 1 A 63 63 VAL H H 63 8.109 8.663 -0.554 2
1 657 . 1 1 A 63 63 VAL HA H 63 4.869 4.634 0.235 2
1 665 . 1 1 A 63 63 VAL CA C 63 62.210 62.741 -0.531 2
1 666 . 1 1 A 63 63 VAL CB C 63 34.780 32.452 2.329 2
1 669 . 1 1 A 63 63 VAL N N 63 127.029 125.825 1.204 2
1 670 . 1 1 A 64 64 THR H H 64 8.453 8.585 -0.133 2
1 671 . 1 1 A 64 64 THR HA H 64 5.349 4.875 0.474 2
1 676 . 1 1 A 64 64 THR CA C 64 61.100 61.449 -0.349 2
1 677 . 1 1 A 64 64 THR CB C 64 70.790 70.247 0.543 2
1 679 . 1 1 A 64 64 THR N N 64 116.830 120.068 -3.238 2
1 680 . 1 1 A 65 65 GLY H H 65 8.663 8.576 0.087 2
1 681 . 1 1 A 65 65 GLY HA2 H 65 4.085 3.806 0.279 2
1 682 . 1 1 A 65 65 GLY HA3 H 65 3.480 4.207 -0.727 2
1 683 . 1 1 A 65 65 GLY CA C 65 46.570 45.986 0.584 2
1 684 . 1 1 A 65 65 GLY N N 65 107.680 109.045 -1.365 2
1 685 . 1 1 A 66 66 GLU H H 66 8.574 8.206 0.368 2
1 686 . 1 1 A 66 66 GLU HA H 66 5.150 5.174 -0.024 2
1 689 . 1 1 A 66 66 GLU CA C 66 54.450 54.576 -0.126 2
1 690 . 1 1 A 66 66 GLU CB C 66 37.328 33.672 3.657 2
1 691 . 1 1 A 66 66 GLU N N 66 120.921 119.350 1.571 2
1 692 . 1 1 A 67 67 ILE H H 67 8.623 8.275 0.348 2
1 693 . 1 1 A 67 67 ILE HA H 67 5.149 4.890 0.259 2
1 703 . 1 1 A 67 67 ILE CA C 67 60.180 60.208 -0.028 2
1 704 . 1 1 A 67 67 ILE CB C 67 40.210 39.596 0.614 2
1 708 . 1 1 A 67 67 ILE N N 67 121.340 121.977 -0.637 2
1 709 . 1 1 A 68 68 TYR H H 68 9.196 9.027 0.169 2
1 710 . 1 1 A 68 68 TYR HA H 68 5.001 5.251 -0.250 2
1 717 . 1 1 A 68 68 TYR CA C 68 56.270 56.796 -0.526 2
1 718 . 1 1 A 68 68 TYR CB C 68 41.480 40.674 0.806 2
1 721 . 1 1 A 68 68 TYR N N 68 123.650 126.314 -2.664 2
1 722 . 1 1 A 69 69 GLU H H 69 9.302 9.005 0.297 2
1 723 . 1 1 A 69 69 GLU HA H 69 5.066 4.591 0.475 2
1 728 . 1 1 A 69 69 GLU CA C 69 55.180 56.964 -1.784 2
1 729 . 1 1 A 69 69 GLU CB C 69 31.420 30.459 0.961 2
1 731 . 1 1 A 69 69 GLU N N 69 124.090 125.160 -1.070 2
1 732 . 1 1 A 70 70 VAL H H 70 8.908 8.825 0.083 2
1 733 . 1 1 A 70 70 VAL HA H 70 5.556 5.156 0.400 2
1 741 . 1 1 A 70 70 VAL CA C 70 57.780 59.100 -1.320 2
1 742 . 1 1 A 70 70 VAL CB C 70 35.400 35.554 -0.154 2
1 745 . 1 1 A 70 70 VAL N N 70 119.540 120.232 -0.692 2
1 746 . 1 1 A 71 71 ASP H H 71 7.939 8.403 -0.464 2
1 747 . 1 1 A 71 71 ASP HA H 71 4.909 4.963 -0.054 2
1 750 . 1 1 A 71 71 ASP CA C 71 51.240 52.522 -1.282 2
1 751 . 1 1 A 71 71 ASP CB C 71 42.210 42.492 -0.282 2
1 752 . 1 1 A 71 71 ASP N N 71 120.720 121.797 -1.077 2
1 753 . 1 1 A 72 72 GLU H H 72 8.364 8.832 -0.468 2
1 754 . 1 1 A 72 72 GLU HA H 72 3.869 3.990 -0.121 2
1 757 . 1 1 A 72 72 GLU CA C 72 59.775 59.765 0.010 2
1 758 . 1 1 A 72 72 GLU CB C 72 29.140 29.407 -0.267 2
1 760 . 1 1 A 72 72 GLU N N 72 117.910 120.652 -2.742 2
1 761 . 1 1 A 73 73 GLN H H 73 7.960 8.046 -0.086 2
1 762 . 1 1 A 73 73 GLN HA H 73 3.899 4.102 -0.203 2
1 767 . 1 1 A 73 73 GLN CA C 73 59.570 58.728 0.842 2
1 768 . 1 1 A 73 73 GLN CB C 73 27.810 28.390 -0.580 2
1 770 . 1 1 A 73 73 GLN N N 73 119.617 119.915 -0.298 2
1 772 . 1 1 A 74 74 MET H H 74 8.489 8.040 0.450 2
1 773 . 1 1 A 74 74 MET HA H 74 4.766 4.397 0.369 2
1 780 . 1 1 A 74 74 MET CA C 74 56.790 58.419 -1.629 2
1 781 . 1 1 A 74 74 MET CB C 74 31.900 32.414 -0.514 2
1 784 . 1 1 A 74 74 MET N N 74 121.800 119.337 2.463 2
1 785 . 1 1 A 75 75 LEU H H 75 8.162 8.330 -0.168 2
1 786 . 1 1 A 75 75 LEU HA H 75 3.897 4.122 -0.225 2
1 796 . 1 1 A 75 75 LEU CA C 75 58.230 57.811 0.419 2
1 797 . 1 1 A 75 75 LEU CB C 75 42.160 41.411 0.749 2
1 801 . 1 1 A 75 75 LEU N N 75 120.230 121.438 -1.208 2
1 802 . 1 1 A 76 76 ARG H H 76 7.824 8.265 -0.441 2
1 803 . 1 1 A 76 76 ARG HA H 76 3.952 4.033 -0.081 2
1 811 . 1 1 A 76 76 ARG CA C 76 59.270 59.389 -0.119 2
1 812 . 1 1 A 76 76 ARG CB C 76 29.930 30.100 -0.170 2
1 815 . 1 1 A 76 76 ARG N N 76 116.540 119.797 -3.257 2
1 817 . 1 1 A 77 77 PHE H H 77 8.137 8.354 -0.217 2
1 818 . 1 1 A 77 77 PHE HA H 77 4.085 4.192 -0.107 2
1 825 . 1 1 A 77 77 PHE CA C 77 61.980 61.270 0.710 2
1 826 . 1 1 A 77 77 PHE CB C 77 38.530 39.126 -0.596 2
1 829 . 1 1 A 77 77 PHE N N 77 120.650 121.352 -0.701 2
1 830 . 1 1 A 78 78 LEU H H 78 9.071 8.827 0.244 2
1 831 . 1 1 A 78 78 LEU HA H 78 3.629 3.757 -0.128 2
1 841 . 1 1 A 78 78 LEU CA C 78 57.730 57.579 0.151 2
1 842 . 1 1 A 78 78 LEU CB C 78 41.420 41.178 0.242 2
1 846 . 1 1 A 78 78 LEU N N 78 122.360 119.432 2.928 2
1 847 . 1 1 A 79 79 ASP H H 79 8.506 8.028 0.478 2
1 848 . 1 1 A 79 79 ASP HA H 79 4.320 4.537 -0.217 2
1 851 . 1 1 A 79 79 ASP CA C 79 57.190 56.518 0.672 2
1 852 . 1 1 A 79 79 ASP CB C 79 39.420 40.930 -1.510 2
1 853 . 1 1 A 79 79 ASP N N 79 120.070 119.287 0.783 2
1 854 . 1 1 A 80 80 ASP H H 80 7.154 7.837 -0.683 2
1 855 . 1 1 A 80 80 ASP HA H 80 4.501 4.646 -0.145 2
1 858 . 1 1 A 80 80 ASP CA C 80 56.700 55.613 1.087 2
1 859 . 1 1 A 80 80 ASP CB C 80 40.660 41.933 -1.273 2
1 860 . 1 1 A 80 80 ASP N N 80 118.890 119.498 -0.608 2
1 861 . 1 1 A 81 81 PHE H H 81 8.791 7.953 0.838 2
1 862 . 1 1 A 81 81 PHE HA H 81 3.659 3.874 -0.215 2
1 867 . 1 1 A 81 81 PHE CA C 81 61.640 60.702 0.938 2
1 868 . 1 1 A 81 81 PHE CB C 81 40.210 38.845 1.365 2
1 870 . 1 1 A 81 81 PHE N N 81 125.745 120.132 5.613 2
1 871 . 1 1 A 82 82 GLU H H 82 8.209 7.596 0.613 2
1 872 . 1 1 A 82 82 GLU HA H 82 3.956 4.034 -0.078 2
1 875 . 1 1 A 82 82 GLU CA C 82 55.060 55.695 -0.635 2
1 876 . 1 1 A 82 82 GLU CB C 82 28.910 28.860 0.050 2
1 878 . 1 1 A 82 82 GLU N N 82 115.707 116.364 -0.657 2
1 879 . 1 1 A 83 83 ASP H H 83 7.615 7.874 -0.259 2
1 880 . 1 1 A 83 83 ASP HA H 83 4.236 4.174 0.062 2
1 883 . 1 1 A 83 83 ASP CA C 83 54.370 55.440 -1.070 2
1 884 . 1 1 A 83 83 ASP CB C 83 39.400 39.816 -0.416 2
1 885 . 1 1 A 83 83 ASP N N 83 116.517 117.691 -1.174 2
1 886 . 1 1 A 84 84 CYS H H 84 8.361 7.674 0.687 2
1 887 . 1 1 A 84 84 CYS HA H 84 5.522 4.776 0.746 2
1 890 . 1 1 A 84 84 CYS CA C 84 56.617 57.935 -1.318 2
1 891 . 1 1 A 84 84 CYS CB C 84 27.651 27.494 0.157 2
1 892 . 1 1 A 84 84 CYS N N 84 119.420 117.704 1.716 2
1 893 . 1 1 A 85 85 PRO HA H 85 5.704 4.740 0.964 2
1 900 . 1 1 A 85 85 PRO CA C 85 64.355 64.126 0.229 2
1 901 . 1 1 A 85 85 PRO CB C 85 33.190 32.079 1.111 2
1 904 . 1 1 A 86 86 SER H H 86 8.389 8.174 0.215 2
1 905 . 1 1 A 86 86 SER HA H 86 4.175 4.194 -0.019 2
1 907 . 1 1 A 86 86 SER CA C 86 62.130 61.707 0.423 2
1 908 . 1 1 A 86 86 SER CB C 86 63.080 62.895 0.186 2
1 909 . 1 1 A 86 86 SER N N 86 122.195 114.372 7.823 2
1 910 . 1 1 A 87 87 MET H H 87 8.576 8.439 0.137 2
1 911 . 1 1 A 87 87 MET HA H 87 4.475 4.377 0.098 2
1 918 . 1 1 A 87 87 MET CA C 87 57.520 58.418 -0.898 2
1 919 . 1 1 A 87 87 MET CB C 87 33.210 33.658 -0.448 2
1 922 . 1 1 A 87 87 MET N N 87 121.299 119.535 1.764 2
1 923 . 1 1 A 88 88 TYR H H 88 6.778 8.038 -1.260 2
1 924 . 1 1 A 88 88 TYR HA H 88 5.023 5.169 -0.146 2
1 931 . 1 1 A 88 88 TYR CA C 88 56.300 57.538 -1.238 2
1 932 . 1 1 A 88 88 TYR CB C 88 42.530 40.970 1.560 2
1 935 . 1 1 A 88 88 TYR N N 88 113.420 115.613 -2.193 2
1 936 . 1 1 A 89 89 GLN H H 89 9.567 9.261 0.306 2
1 937 . 1 1 A 89 89 GLN HA H 89 4.857 4.978 -0.121 2
1 944 . 1 1 A 89 89 GLN CA C 89 55.870 54.654 1.216 2
1 945 . 1 1 A 89 89 GLN CB C 89 30.430 31.937 -1.507 2
1 947 . 1 1 A 89 89 GLN N N 89 115.440 119.320 -3.880 2
1 949 . 1 1 A 90 90 ARG H H 90 8.772 8.385 0.387 2
1 950 . 1 1 A 90 90 ARG HA H 90 4.499 4.255 0.244 2
1 958 . 1 1 A 90 90 ARG CA C 90 56.620 56.422 0.198 2
1 959 . 1 1 A 90 90 ARG CB C 90 29.020 30.360 -1.340 2
1 962 . 1 1 A 90 90 ARG N N 90 123.860 122.777 1.083 2
1 964 . 1 1 A 91 91 THR H H 91 9.217 8.969 0.248 2
1 965 . 1 1 A 91 91 THR HA H 91 4.518 4.869 -0.351 2
1 970 . 1 1 A 91 91 THR CA C 91 60.570 60.945 -0.375 2
1 971 . 1 1 A 91 91 THR CB C 91 71.050 72.758 -1.708 2
1 973 . 1 1 A 91 91 THR N N 91 125.064 120.367 4.697 2
1 974 . 1 1 A 92 92 ALA H H 92 8.655 8.664 -0.009 2
1 975 . 1 1 A 92 92 ALA HA H 92 5.041 5.379 -0.338 2
1 979 . 1 1 A 92 92 ALA CA C 92 51.320 50.492 0.828 2
1 980 . 1 1 A 92 92 ALA CB C 92 19.480 21.447 -1.967 2
1 981 . 1 1 A 92 92 ALA N N 92 126.963 125.649 1.314 2
1 982 . 1 1 A 93 93 LEU H H 93 9.005 8.691 0.314 2
1 983 . 1 1 A 93 93 LEU HA H 93 4.720 5.255 -0.535 2
1 993 . 1 1 A 93 93 LEU CA C 93 53.750 53.462 0.288 2
1 994 . 1 1 A 93 93 LEU CB C 93 45.340 45.631 -0.291 2
1 998 . 1 1 A 93 93 LEU N N 93 122.440 118.549 3.891 2
1 999 . 1 1 A 94 94 GLN H H 94 8.360 8.691 -0.331 2
1 1000 . 1 1 A 94 94 GLN HA H 94 4.229 5.060 -0.831 2
1 1005 . 1 1 A 94 94 GLN CA C 94 56.040 54.500 1.540 2
1 1006 . 1 1 A 94 94 GLN CB C 94 28.780 31.369 -2.589 2
1 1008 . 1 1 A 94 94 GLN N N 94 119.357 119.717 -0.360 2
1 1010 . 1 1 A 95 95 VAL H H 95 8.612 8.924 -0.312 2
1 1011 . 1 1 A 95 95 VAL HA H 95 4.013 4.527 -0.514 2
1 1019 . 1 1 A 95 95 VAL CA C 95 61.440 60.363 1.077 2
1 1020 . 1 1 A 95 95 VAL CB C 95 35.110 34.921 0.189 2
1 1023 . 1 1 A 95 95 VAL N N 95 126.928 125.827 1.101 2
1 1024 . 1 1 A 96 96 GLN H H 96 9.222 8.791 0.430 2
1 1025 . 1 1 A 96 96 GLN HA H 96 4.279 4.577 -0.298 2
1 1032 . 1 1 A 96 96 GLN CA C 96 55.150 55.724 -0.574 2
1 1033 . 1 1 A 96 96 GLN CB C 96 29.100 29.570 -0.470 2
1 1035 . 1 1 A 96 96 GLN N N 96 128.360 126.839 1.521 2
1 1037 . 1 1 A 97 97 VAL H H 97 8.233 8.784 -0.551 2
1 1038 . 1 1 A 97 97 VAL HA H 97 3.674 4.282 -0.608 2
1 1046 . 1 1 A 97 97 VAL CA C 97 64.040 62.376 1.664 2
1 1047 . 1 1 A 97 97 VAL CB C 97 31.920 31.328 0.592 2
1 1050 . 1 1 A 97 97 VAL N N 97 128.120 126.207 1.913 2
1 1051 . 1 1 A 98 98 LEU H H 98 8.880 8.939 -0.059 2
1 1052 . 1 1 A 98 98 LEU HA H 98 4.472 4.286 0.186 2
1 1059 . 1 1 A 98 98 LEU CA C 98 55.641 56.272 -0.631 2
1 1060 . 1 1 A 98 98 LEU CB C 98 42.510 42.793 -0.283 2
1 1063 . 1 1 A 98 98 LEU N N 98 128.877 130.044 -1.167 2
1 1064 . 1 1 A 99 99 GLU H H 99 7.682 7.458 0.224 2
1 1065 . 1 1 A 99 99 GLU HA H 99 4.403 4.784 -0.381 2
1 1070 . 1 1 A 99 99 GLU CA C 99 56.310 55.899 0.411 2
1 1071 . 1 1 A 99 99 GLU CB C 99 32.790 33.403 -0.613 2
1 1073 . 1 1 A 99 99 GLU N N 99 118.210 116.836 1.374 2
1 1074 . 1 1 A 100 100 TRP H H 100 8.883 8.782 0.101 2
1 1075 . 1 1 A 100 100 TRP HA H 100 5.205 5.241 -0.036 2
1 1084 . 1 1 A 100 100 TRP CA C 100 55.982 56.010 -0.028 2
1 1085 . 1 1 A 100 100 TRP CB C 100 32.430 32.857 -0.427 2
1 1091 . 1 1 A 100 100 TRP N N 100 126.421 126.938 -0.517 2
1 1093 . 1 1 A 101 101 GLU H H 101 8.116 8.165 -0.049 2
1 1094 . 1 1 A 101 101 GLU HA H 101 4.462 4.560 -0.098 2
1 1098 . 1 1 A 101 101 GLU CA C 101 55.050 55.537 -0.487 2
1 1099 . 1 1 A 101 101 GLU CB C 101 30.950 30.149 0.801 2
1 1101 . 1 1 A 101 101 GLU N N 101 128.535 126.359 2.176 2
1 1102 . 1 1 A 102 102 GLY H H 102 7.614 8.125 -0.511 2
1 1103 . 1 1 A 102 102 GLY HA2 H 102 3.853 3.985 -0.132 2
1 1104 . 1 1 A 102 102 GLY HA3 H 102 3.905 4.060 -0.155 2
1 1105 . 1 1 A 102 102 GLY CA C 102 44.440 44.222 0.218 2
1 1106 . 1 1 A 102 102 GLY N N 102 108.953 111.639 -2.686 2
1 1107 . 1 1 A 103 103 ASP H H 103 8.261 8.471 -0.210 2
1 1108 . 1 1 A 103 103 ASP HA H 103 4.641 4.655 -0.014 2
1 1111 . 1 1 A 103 103 ASP CA C 103 54.530 55.154 -0.624 2
1 1112 . 1 1 A 103 103 ASP CB C 103 41.690 41.356 0.334 2
1 1113 . 1 1 A 103 103 ASP N N 103 118.730 121.141 -2.411 2
1 1114 . 1 1 A 104 104 GLY H H 104 8.526 8.954 -0.428 2
1 1115 . 1 1 A 104 104 GLY HA2 H 104 3.719 3.994 -0.275 2
1 1116 . 1 1 A 104 104 GLY HA3 H 104 3.892 4.116 -0.224 2
1 1117 . 1 1 A 104 104 GLY CA C 104 45.960 46.654 -0.694 2
1 1118 . 1 1 A 104 104 GLY N N 104 109.230 113.556 -4.326 2
1 1119 . 1 1 A 105 105 ASP H H 105 7.806 8.016 -0.210 2
1 1120 . 1 1 A 105 105 ASP HA H 105 3.381 4.166 -0.785 2
1 1123 . 1 1 A 105 105 ASP CA C 105 51.020 50.421 0.599 2
1 1124 . 1 1 A 105 105 ASP CB C 105 41.406 40.770 0.635 2
1 1125 . 1 1 A 105 105 ASP N N 105 119.739 120.228 -0.489 2
1 1126 . 1 1 A 106 106 PRO HA H 106 4.065 4.201 -0.136 2
1 1133 . 1 1 A 106 106 PRO CA C 106 62.970 63.625 -0.655 2
1 1134 . 1 1 A 106 106 PRO CB C 106 31.660 31.776 -0.116 2
1 1137 . 1 1 A 107 107 GLY H H 107 7.863 7.476 0.387 2
1 1138 . 1 1 A 107 107 GLY HA2 H 107 3.401 3.956 -0.555 2
1 1139 . 1 1 A 107 107 GLY HA3 H 107 4.103 3.960 0.143 2
1 1140 . 1 1 A 107 107 GLY CA C 107 44.170 44.298 -0.128 2
1 1141 . 1 1 A 107 107 GLY N N 107 109.610 108.828 0.782 2
1 1142 . 1 1 A 108 108 ASP H H 108 8.171 8.649 -0.478 2
1 1143 . 1 1 A 108 108 ASP HA H 108 4.283 4.551 -0.268 2
1 1145 . 1 1 A 108 108 ASP CA C 108 56.430 54.905 1.525 2
1 1146 . 1 1 A 108 108 ASP CB C 108 41.490 41.340 0.150 2
1 1147 . 1 1 A 108 108 ASP N N 108 119.264 122.484 -3.220 2
1 1148 . 1 1 A 109 109 SER H H 109 7.560 7.809 -0.249 2
1 1149 . 1 1 A 109 109 SER HA H 109 5.188 5.172 0.016 2
1 1152 . 1 1 A 109 109 SER CA C 109 56.740 56.866 -0.126 2
1 1153 . 1 1 A 109 109 SER CB C 109 65.780 66.356 -0.576 2
1 1154 . 1 1 A 109 109 SER N N 109 110.810 112.398 -1.588 2
1 1155 . 1 1 A 110 110 VAL H H 110 8.932 9.023 -0.091 2
1 1156 . 1 1 A 110 110 VAL HA H 110 4.262 4.789 -0.527 2
1 1164 . 1 1 A 110 110 VAL CA C 110 59.470 59.268 0.202 2
1 1165 . 1 1 A 110 110 VAL CB C 110 35.400 35.456 -0.056 2
1 1168 . 1 1 A 110 110 VAL N N 110 118.530 118.721 -0.191 2
1 1169 . 1 1 A 111 111 GLN H H 111 8.468 8.621 -0.153 2
1 1170 . 1 1 A 111 111 GLN HA H 111 4.422 4.868 -0.446 2
1 1177 . 1 1 A 111 111 GLN CA C 111 55.960 54.734 1.226 2
1 1178 . 1 1 A 111 111 GLN CB C 111 29.470 29.681 -0.211 2
1 1180 . 1 1 A 111 111 GLN N N 111 127.378 124.404 2.974 2
1 1182 . 1 1 A 112 112 CYS H H 112 8.785 8.480 0.305 2
1 1183 . 1 1 A 112 112 CYS HA H 112 4.782 4.906 -0.124 2
1 1186 . 1 1 A 112 112 CYS CA C 112 57.100 57.425 -0.325 2
1 1187 . 1 1 A 112 112 CYS CB C 112 33.700 30.789 2.911 2
1 1188 . 1 1 A 112 112 CYS N N 112 122.300 124.033 -1.733 2
1 1189 . 1 1 A 113 113 PHE H H 113 8.838 8.496 0.342 2
1 1190 . 1 1 A 113 113 PHE HA H 113 5.154 5.366 -0.212 2
1 1197 . 1 1 A 113 113 PHE CA C 113 58.650 57.125 1.525 2
1 1198 . 1 1 A 113 113 PHE CB C 113 40.210 41.447 -1.237 2
1 1201 . 1 1 A 113 113 PHE N N 113 118.974 120.262 -1.288 2
1 1202 . 1 1 A 114 114 VAL H H 114 9.079 8.770 0.309 2
1 1203 . 1 1 A 114 114 VAL HA H 114 4.472 4.803 -0.331 2
1 1211 . 1 1 A 114 114 VAL CA C 114 60.650 60.821 -0.171 2
1 1212 . 1 1 A 114 114 VAL CB C 114 35.970 35.802 0.168 2
1 1215 . 1 1 A 114 114 VAL N N 114 121.660 120.474 1.186 2
1 1216 . 1 1 A 115 115 TYR H H 115 9.672 8.857 0.815 2
1 1217 . 1 1 A 115 115 TYR HA H 115 4.988 4.922 0.066 2
1 1224 . 1 1 A 115 115 TYR CA C 115 59.240 57.629 1.611 2
1 1225 . 1 1 A 115 115 TYR CB C 115 36.925 38.597 -1.672 2
1 1228 . 1 1 A 115 115 TYR N N 115 127.830 125.715 2.115 2
1 1229 . 1 1 A 116 116 THR H H 116 9.061 8.863 0.198 2
1 1230 . 1 1 A 116 116 THR HA H 116 5.435 5.384 0.051 2
1 1235 . 1 1 A 116 116 THR CA C 116 60.130 60.415 -0.285 2
1 1236 . 1 1 A 116 116 THR CB C 116 71.910 71.847 0.063 2
1 1238 . 1 1 A 116 116 THR N N 116 119.130 114.812 4.318 2
1 1239 . 1 1 A 117 117 THR H H 117 8.707 8.633 0.074 2
1 1240 . 1 1 A 117 117 THR HA H 117 5.561 5.162 0.399 2
1 1245 . 1 1 A 117 117 THR CA C 117 60.160 60.375 -0.215 2
1 1246 . 1 1 A 117 117 THR CB C 117 70.170 71.341 -1.171 2
1 1248 . 1 1 A 117 117 THR N N 117 111.190 115.240 -4.051 2
1 1249 . 1 1 A 118 118 ALA H H 118 9.257 8.477 0.780 2
1 1250 . 1 1 A 118 118 ALA HA H 118 5.033 4.743 0.290 2
1 1254 . 1 1 A 118 118 ALA CA C 118 51.550 52.294 -0.744 2
1 1255 . 1 1 A 118 118 ALA CB C 118 20.050 20.077 -0.027 2
1 1256 . 1 1 A 118 118 ALA N N 118 132.010 128.400 3.610 2
1 1257 . 1 1 A 119 119 THR H H 119 8.628 7.375 1.253 2
1 1258 . 1 1 A 119 119 THR HA H 119 4.143 4.285 -0.142 2
1 1263 . 1 1 A 119 119 THR CA C 119 60.090 60.918 -0.828 2
1 1264 . 1 1 A 119 119 THR CB C 119 68.056 69.066 -1.010 2
1 1266 . 1 1 A 119 119 THR N N 119 114.350 109.413 4.937 2
1 1267 . 1 1 A 120 120 TYR H H 120 6.281 7.229 -0.948 2
1 1268 . 1 1 A 120 120 TYR HA H 120 3.594 4.143 -0.549 2
1 1273 . 1 1 A 120 120 TYR CA C 120 53.530 57.309 -3.779 2
1 1274 . 1 1 A 120 120 TYR CB C 120 40.072 39.597 0.475 2
1 1276 . 1 1 A 120 120 TYR N N 120 117.205 121.461 -4.256 2
1 1277 . 1 1 A 121 121 ALA HA H 121 5.030 4.260 0.770 2
1 1278 . 1 1 A 121 121 ALA CA C 121 51.536 50.536 1.000 2
1 1279 . 1 1 A 122 122 PRO HA H 122 4.059 4.306 -0.247 2
1 1285 . 1 1 A 122 122 PRO CA C 122 65.435 64.845 0.590 2
1 1286 . 1 1 A 122 122 PRO CB C 122 31.680 31.993 -0.313 2
1 1289 . 1 1 A 123 123 GLU H H 123 9.336 8.972 0.364 2
1 1290 . 1 1 A 123 123 GLU HA H 123 4.169 4.099 0.070 2
1 1294 . 1 1 A 123 123 GLU CA C 123 59.100 58.917 0.183 2
1 1295 . 1 1 A 123 123 GLU CB C 123 27.940 28.805 -0.865 2
1 1297 . 1 1 A 123 123 GLU N N 123 115.528 115.888 -0.360 2
1 1298 . 1 1 A 124 124 TRP H H 124 8.560 7.713 0.847 2
1 1299 . 1 1 A 124 124 TRP HA H 124 4.671 4.574 0.097 2
1 1308 . 1 1 A 124 124 TRP CA C 124 57.370 59.749 -2.379 2
1 1309 . 1 1 A 124 124 TRP CB C 124 28.310 28.830 -0.520 2
1 1315 . 1 1 A 124 124 TRP N N 124 123.431 119.913 3.518 2
1 1317 . 1 1 A 125 125 LEU H H 125 7.378 7.650 -0.272 2
1 1318 . 1 1 A 125 125 LEU HA H 125 4.065 4.182 -0.117 2
1 1328 . 1 1 A 125 125 LEU CA C 125 56.060 56.789 -0.729 2
1 1329 . 1 1 A 125 125 LEU CB C 125 41.220 41.649 -0.429 2
1 1333 . 1 1 A 125 125 LEU N N 125 113.660 120.610 -6.950 2
1 1334 . 1 1 A 126 126 PHE H H 126 7.415 7.473 -0.058 2
1 1335 . 1 1 A 126 126 PHE HA H 126 4.640 4.493 0.147 2
1 1342 . 1 1 A 126 126 PHE CA C 126 56.940 59.163 -2.223 2
1 1343 . 1 1 A 126 126 PHE CB C 126 38.670 39.482 -0.812 2
1 1346 . 1 1 A 126 126 PHE N N 126 116.360 115.756 0.604 2
1 1347 . 1 1 A 127 127 LEU H H 127 7.168 7.318 -0.150 2
1 1348 . 1 1 A 127 127 LEU HA H 127 4.529 4.440 0.089 2
1 1358 . 1 1 A 127 127 LEU CA C 127 53.580 53.593 -0.013 2
1 1359 . 1 1 A 127 127 LEU CB C 127 40.832 41.132 -0.300 2
1 1363 . 1 1 A 127 127 LEU N N 127 122.990 121.087 1.903 2
1 1364 . 1 1 A 128 128 PRO HA H 128 3.986 4.418 -0.432 2
1 1371 . 1 1 A 128 128 PRO CA C 128 63.140 62.374 0.766 2
1 1372 . 1 1 A 128 128 PRO CB C 128 31.993 32.271 -0.278 2
1 1375 . 1 1 A 129 129 TYR H H 129 8.070 8.250 -0.180 2
1 1376 . 1 1 A 129 129 TYR HA H 129 5.529 5.287 0.242 2
1 1383 . 1 1 A 129 129 TYR CA C 129 52.486 57.474 -4.988 2
1 1384 . 1 1 A 129 129 TYR CB C 129 36.760 40.919 -4.159 2
1 1387 . 1 1 A 129 129 TYR N N 129 120.100 120.397 -0.297 2
1 1388 . 1 1 A 130 130 HIS H H 130 9.193 8.668 0.525 2
1 1389 . 1 1 A 130 130 HIS HA H 130 4.733 5.099 -0.366 2
1 1393 . 1 1 A 130 130 HIS CA C 130 55.920 54.790 1.130 2
1 1394 . 1 1 A 130 130 HIS CB C 130 32.908 33.999 -1.091 2
1 1396 . 1 1 A 130 130 HIS N N 130 121.985 118.765 3.220 2
1 1397 . 1 1 A 131 131 GLU H H 131 9.093 9.122 -0.029 2
1 1398 . 1 1 A 131 131 GLU HA H 131 4.277 4.554 -0.277 2
1 1402 . 1 1 A 131 131 GLU CA C 131 58.110 57.206 0.904 2
1 1403 . 1 1 A 131 131 GLU CB C 131 30.700 31.475 -0.775 2
1 1405 . 1 1 A 131 131 GLU N N 131 122.150 121.824 0.326 2
1 1406 . 1 1 A 132 132 SER H H 132 7.621 7.891 -0.270 2
1 1407 . 1 1 A 132 132 SER HA H 132 4.686 4.910 -0.224 2
1 1410 . 1 1 A 132 132 SER CA C 132 56.340 57.502 -1.162 2
1 1411 . 1 1 A 132 132 SER CB C 132 65.050 65.967 -0.917 2
1 1412 . 1 1 A 132 132 SER N N 132 108.030 112.858 -4.828 2
1 1413 . 1 1 A 133 133 TYR H H 133 8.667 8.863 -0.196 2
1 1414 . 1 1 A 133 133 TYR HA H 133 4.564 5.129 -0.565 2
1 1419 . 1 1 A 133 133 TYR CA C 133 57.910 57.022 0.888 2
1 1420 . 1 1 A 133 133 TYR CB C 133 40.720 40.955 -0.235 2
1 1422 . 1 1 A 133 133 TYR N N 133 121.977 123.894 -1.917 2
1 1423 . 1 1 A 134 134 ASP H H 134 7.303 8.472 -1.169 2
1 1424 . 1 1 A 134 134 ASP HA H 134 3.944 4.902 -0.958 2
1 1427 . 1 1 A 134 134 ASP CA C 134 52.540 53.279 -0.739 2
1 1428 . 1 1 A 134 134 ASP CB C 134 42.900 43.594 -0.694 2
1 1429 . 1 1 A 134 134 ASP N N 134 127.820 125.640 2.180 2
1 1430 . 1 1 A 135 135 SER H H 135 9.392 8.811 0.581 2
1 1431 . 1 1 A 135 135 SER HA H 135 3.945 4.271 -0.326 2
1 1434 . 1 1 A 135 135 SER CA C 135 61.770 60.196 1.574 2
1 1435 . 1 1 A 135 135 SER CB C 135 63.561 63.147 0.414 2
1 1436 . 1 1 A 135 135 SER N N 135 127.670 118.652 9.018 2
1 1437 . 1 1 A 136 136 GLU H H 136 7.546 7.914 -0.368 2
1 1438 . 1 1 A 136 136 GLU HA H 136 4.233 4.512 -0.279 2
1 1443 . 1 1 A 136 136 GLU CA C 136 54.796 56.261 -1.465 2
1 1444 . 1 1 A 136 136 GLU CB C 136 28.420 29.890 -1.470 2
1 1446 . 1 1 A 136 136 GLU N N 136 113.107 118.524 -5.417 2
1 1447 . 1 1 A 137 137 GLY H H 137 7.241 8.305 -1.064 2
1 1448 . 1 1 A 137 137 GLY HA2 H 137 3.994 4.110 -0.116 2
1 1449 . 1 1 A 137 137 GLY HA3 H 137 3.503 4.154 -0.651 2
1 1450 . 1 1 A 137 137 GLY CA C 137 44.880 44.289 0.591 2
1 1451 . 1 1 A 137 137 GLY N N 137 104.690 109.565 -4.875 2
1 1452 . 1 1 A 138 138 PRO HA H 138 4.211 4.354 -0.143 2
1 1459 . 1 1 A 138 138 PRO CA C 138 64.830 64.111 0.719 2
1 1460 . 1 1 A 138 138 PRO CB C 138 31.180 31.881 -0.701 2
1 1463 . 1 1 A 139 139 HIS H H 139 6.414 7.666 -1.252 2
1 1464 . 1 1 A 139 139 HIS HA H 139 4.299 4.520 -0.221 2
1 1467 . 1 1 A 139 139 HIS CA C 139 55.080 56.649 -1.569 2
1 1468 . 1 1 A 139 139 HIS CB C 139 30.260 29.434 0.826 2
1 1470 . 1 1 A 139 139 HIS N N 139 116.498 116.086 0.412 2
1 1471 . 1 1 A 140 140 GLY H H 140 7.082 8.319 -1.237 2
1 1472 . 1 1 A 140 140 GLY HA2 H 140 3.919 3.867 0.052 2
1 1473 . 1 1 A 140 140 GLY HA3 H 140 3.721 3.877 -0.156 2
1 1474 . 1 1 A 140 140 GLY CA C 140 46.590 46.126 0.465 2
1 1475 . 1 1 A 140 140 GLY N N 140 108.485 108.839 -0.354 2
1 1476 . 1 1 A 141 141 LEU HA H 141 4.451 4.537 -0.086 2
1 1483 . 1 1 A 141 141 LEU CA C 141 53.024 53.948 -0.924 2
1 1484 . 1 1 A 141 141 LEU CB C 141 39.500 41.793 -2.293 2
1 1487 . 1 1 A 142 142 ARG H H 142 7.472 8.485 -1.013 2
1 1488 . 1 1 A 142 142 ARG HA H 142 4.724 4.926 -0.202 2
1 1493 . 1 1 A 142 142 ARG CA C 142 55.940 54.384 1.556 2
1 1494 . 1 1 A 142 142 ARG CB C 142 31.070 33.104 -2.034 2
1 1497 . 1 1 A 142 142 ARG N N 142 121.987 123.204 -1.217 2
1 1499 . 1 1 A 143 143 TYR H H 143 8.487 8.835 -0.348 2
1 1500 . 1 1 A 143 143 TYR HA H 143 4.474 4.753 -0.280 2
1 1507 . 1 1 A 143 143 TYR CA C 143 59.015 59.507 -0.492 2
1 1508 . 1 1 A 143 143 TYR CB C 143 38.720 39.375 -0.655 2
1 1511 . 1 1 A 143 143 TYR N N 143 127.896 122.956 4.940 2
1 1512 . 1 1 A 144 144 ASN H H 144 7.805 7.884 -0.079 2
1 1513 . 1 1 A 144 144 ASN HA H 144 4.892 5.284 -0.392 2
1 1518 . 1 1 A 144 144 ASN CA C 144 50.120 50.266 -0.146 2
1 1519 . 1 1 A 144 144 ASN CB C 144 39.360 39.304 0.056 2
1 1520 . 1 1 A 144 144 ASN N N 144 125.629 125.820 -0.191 2
1 1522 . 1 1 A 145 145 PRO HA H 145 3.975 4.200 -0.225 2
1 1528 . 1 1 A 145 145 PRO CA C 145 63.140 64.207 -1.067 2
1 1529 . 1 1 A 145 145 PRO CB C 145 32.386 31.889 0.497 2
1 1532 . 1 1 A 146 146 ARG H H 146 8.055 7.854 0.201 2
1 1533 . 1 1 A 146 146 ARG HA H 146 3.918 4.488 -0.570 2
1 1541 . 1 1 A 146 146 ARG CA C 146 56.740 55.618 1.122 2
1 1542 . 1 1 A 146 146 ARG CB C 146 30.430 31.496 -1.066 2
1 1545 . 1 1 A 146 146 ARG N N 146 120.069 117.707 2.362 2
1 1547 . 1 1 A 147 147 GLU H H 147 8.440 8.063 0.377 2
1 1548 . 1 1 A 147 147 GLU HA H 147 4.167 4.127 0.040 2
1 1552 . 1 1 A 147 147 GLU CA C 147 56.710 58.422 -1.712 2
1 1553 . 1 1 A 147 147 GLU CB C 147 30.150 29.151 0.999 2
1 1555 . 1 1 A 147 147 GLU N N 147 120.760 119.463 1.297 2
1 1556 . 1 1 A 148 148 ASN H H 148 8.363 8.143 0.220 2
1 1557 . 1 1 A 148 148 ASN HA H 148 4.652 4.817 -0.165 2
1 1562 . 1 1 A 148 148 ASN CA C 148 53.240 52.706 0.534 2
1 1563 . 1 1 A 148 148 ASN CB C 148 38.840 38.814 0.026 2
1 1564 . 1 1 A 148 148 ASN N N 148 120.210 115.485 4.725 2
stop_
save_