data_16007_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16007
_Entry.PDB_ID 2KA0
_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 14 . 1 1 1 A 2 2 ARG H H 2 9.247 8.806 0.441 1
1 15 . 1 1 1 A 2 2 ARG HA H 2 5.249 4.592 0.657 1
1 23 . 1 1 1 A 2 2 ARG C C 2 176.020 175.452 0.568 1
1 24 . 1 1 1 A 2 2 ARG CA C 2 56.360 56.569 -0.209 1
1 25 . 1 1 1 A 2 2 ARG CB C 2 31.953 31.599 0.354 1
1 28 . 1 1 1 A 2 2 ARG N N 2 129.420 126.954 2.466 1
1 30 . 1 1 1 A 3 3 VAL H H 3 9.361 8.509 0.852 1
1 31 . 1 1 1 A 3 3 VAL HA H 3 4.464 4.815 -0.351 1
1 39 . 1 1 1 A 3 3 VAL C C 3 173.160 173.773 -0.613 1
1 40 . 1 1 1 A 3 3 VAL CA C 3 61.330 61.143 0.187 1
1 41 . 1 1 1 A 3 3 VAL CB C 3 36.251 35.091 1.160 1
1 44 . 1 1 1 A 3 3 VAL N N 3 126.750 120.784 5.966 1
1 45 . 1 1 1 A 4 4 GLU H H 4 9.294 9.271 0.023 1
1 46 . 1 1 1 A 4 4 GLU HA H 4 4.807 4.978 -0.171 1
1 51 . 1 1 1 A 4 4 GLU C C 4 173.020 174.997 -1.977 1
1 52 . 1 1 1 A 4 4 GLU CA C 4 54.890 55.187 -0.297 1
1 53 . 1 1 1 A 4 4 GLU CB C 4 33.146 31.529 1.617 1
1 55 . 1 1 1 A 4 4 GLU N N 4 128.550 129.024 -0.474 1
1 56 . 1 1 1 A 5 5 LEU H H 5 8.685 9.373 -0.688 1
1 57 . 1 1 1 A 5 5 LEU HA H 5 4.547 4.503 0.044 1
1 67 . 1 1 1 A 5 5 LEU C C 5 173.750 175.449 -1.699 1
1 68 . 1 1 1 A 5 5 LEU CA C 5 52.450 53.626 -1.176 1
1 69 . 1 1 1 A 5 5 LEU CB C 5 41.998 42.949 -0.951 1
1 73 . 1 1 1 A 5 5 LEU N N 5 124.490 127.038 -2.548 1
1 74 . 1 1 1 A 6 6 LEU H H 6 8.608 8.238 0.370 1
1 75 . 1 1 1 A 6 6 LEU HA H 6 4.502 4.293 0.209 1
1 85 . 1 1 1 A 6 6 LEU C C 6 176.550 175.077 1.473 1
1 86 . 1 1 1 A 6 6 LEU CA C 6 53.790 54.191 -0.401 1
1 87 . 1 1 1 A 6 6 LEU CB C 6 42.240 42.117 0.123 1
1 91 . 1 1 1 A 6 6 LEU N N 6 123.330 125.483 -2.153 1
1 92 . 1 1 1 A 7 7 PHE H H 7 8.344 8.730 -0.386 1
1 93 . 1 1 1 A 7 7 PHE HA H 7 5.378 4.919 0.459 1
1 101 . 1 1 1 A 7 7 PHE C C 7 175.050 176.022 -0.972 1
1 102 . 1 1 1 A 7 7 PHE CA C 7 55.830 56.893 -1.063 1
1 103 . 1 1 1 A 7 7 PHE CB C 7 39.383 43.087 -3.704 1
1 108 . 1 1 1 A 7 7 PHE N N 7 125.190 121.820 3.370 1
1 109 . 1 1 1 A 8 8 GLU H H 8 8.226 9.337 -1.111 1
1 110 . 1 1 1 A 8 8 GLU HA H 8 4.266 4.052 0.214 1
1 115 . 1 1 1 A 8 8 GLU C C 8 180.740 178.645 2.095 1
1 116 . 1 1 1 A 8 8 GLU CA C 8 59.530 59.706 -0.176 1
1 117 . 1 1 1 A 8 8 GLU CB C 8 29.723 29.628 0.095 1
1 119 . 1 1 1 A 8 8 GLU N N 8 120.100 122.040 -1.940 1
1 120 . 1 1 1 A 9 9 SER H H 9 9.069 8.056 1.013 1
1 121 . 1 1 1 A 9 9 SER HA H 9 4.467 4.222 0.245 1
1 124 . 1 1 1 A 9 9 SER C C 9 173.740 174.674 -0.934 1
1 125 . 1 1 1 A 9 9 SER CA C 9 58.600 61.356 -2.756 1
1 126 . 1 1 1 A 9 9 SER CB C 9 63.120 63.422 -0.302 1
1 127 . 1 1 1 A 9 9 SER N N 9 112.770 116.445 -3.675 1
1 128 . 1 1 1 A 10 10 GLY H H 10 6.925 7.520 -0.595 1
1 129 . 1 1 1 A 10 10 GLY HA2 H 10 3.896 4.119 -0.223 1
1 130 . 1 1 1 A 10 10 GLY HA3 H 10 3.896 4.120 -0.224 1
1 131 . 1 1 1 A 10 10 GLY C C 10 170.040 171.399 -1.359 1
1 132 . 1 1 1 A 10 10 GLY CA C 10 45.466 46.112 -0.646 1
1 133 . 1 1 1 A 10 10 GLY N N 10 105.760 105.170 0.590 1
1 134 . 1 1 1 A 11 11 LYS H H 11 9.071 8.919 0.152 1
1 135 . 1 1 1 A 11 11 LYS HA H 11 5.484 5.509 -0.025 1
1 144 . 1 1 1 A 11 11 LYS C C 11 174.230 174.499 -0.269 1
1 145 . 1 1 1 A 11 11 LYS CA C 11 55.460 54.964 0.496 1
1 146 . 1 1 1 A 11 11 LYS CB C 11 36.408 36.802 -0.394 1
1 150 . 1 1 1 A 11 11 LYS N N 11 118.960 118.248 0.712 1
1 151 . 1 1 1 A 12 12 CYS H H 12 8.917 9.091 -0.174 1
1 152 . 1 1 1 A 12 12 CYS HA H 12 5.083 5.100 -0.017 1
1 155 . 1 1 1 A 12 12 CYS C C 12 171.760 172.332 -0.572 1
1 156 . 1 1 1 A 12 12 CYS CA C 12 56.770 56.506 0.264 1
1 157 . 1 1 1 A 12 12 CYS CB C 12 31.267 32.240 -0.973 1
1 158 . 1 1 1 A 12 12 CYS N N 12 115.700 118.612 -2.912 1
1 159 . 1 1 1 A 13 13 VAL H H 13 8.474 8.159 0.315 1
1 160 . 1 1 1 A 13 13 VAL HA H 13 4.992 4.953 0.039 1
1 168 . 1 1 1 A 13 13 VAL C C 13 175.660 175.290 0.370 1
1 169 . 1 1 1 A 13 13 VAL CA C 13 61.490 60.759 0.731 1
1 170 . 1 1 1 A 13 13 VAL CB C 13 35.125 35.913 -0.788 1
1 173 . 1 1 1 A 13 13 VAL N N 13 120.490 119.705 0.785 1
1 174 . 1 1 1 A 14 14 ILE H H 14 9.378 9.105 0.273 1
1 175 . 1 1 1 A 14 14 ILE HA H 14 5.335 5.398 -0.063 1
1 185 . 1 1 1 A 14 14 ILE C C 14 172.570 173.423 -0.853 1
1 186 . 1 1 1 A 14 14 ILE CA C 14 58.540 58.759 -0.219 1
1 187 . 1 1 1 A 14 14 ILE CB C 14 40.755 42.252 -1.497 1
1 191 . 1 1 1 A 14 14 ILE N N 14 120.140 122.354 -2.214 1
1 192 . 1 1 1 A 15 15 ASP H H 15 9.295 8.996 0.299 1
1 193 . 1 1 1 A 15 15 ASP HA H 15 5.274 5.487 -0.213 1
1 196 . 1 1 1 A 15 15 ASP C C 15 176.510 174.697 1.813 1
1 197 . 1 1 1 A 15 15 ASP CA C 15 53.050 52.849 0.201 1
1 198 . 1 1 1 A 15 15 ASP CB C 15 44.007 44.476 -0.469 1
1 199 . 1 1 1 A 15 15 ASP N N 15 123.200 124.172 -0.972 1
1 200 . 1 1 1 A 16 16 LEU H H 16 8.892 9.303 -0.411 1
1 201 . 1 1 1 A 16 16 LEU HA H 16 4.981 5.170 -0.189 1
1 211 . 1 1 1 A 16 16 LEU C C 16 175.430 176.093 -0.663 1
1 212 . 1 1 1 A 16 16 LEU CA C 16 53.040 53.533 -0.493 1
1 213 . 1 1 1 A 16 16 LEU CB C 16 45.782 45.176 0.606 1
1 217 . 1 1 1 A 16 16 LEU N N 16 123.620 126.267 -2.647 1
1 218 . 1 1 1 A 17 17 ASN H H 17 8.694 8.683 0.011 1
1 219 . 1 1 1 A 17 17 ASN HA H 17 4.632 4.773 -0.141 1
1 224 . 1 1 1 A 17 17 ASN C C 17 175.500 176.456 -0.956 1
1 225 . 1 1 1 A 17 17 ASN CA C 17 53.310 53.539 -0.229 1
1 226 . 1 1 1 A 17 17 ASN CB C 17 38.508 39.476 -0.968 1
1 227 . 1 1 1 A 17 17 ASN N N 17 121.330 122.798 -1.468 1
1 229 . 1 1 1 A 18 18 GLU H H 18 8.793 9.019 -0.226 1
1 230 . 1 1 1 A 18 18 GLU HA H 18 3.736 4.295 -0.559 1
1 235 . 1 1 1 A 18 18 GLU C C 18 175.250 177.421 -2.171 1
1 236 . 1 1 1 A 18 18 GLU CA C 18 58.330 58.051 0.279 1
1 237 . 1 1 1 A 18 18 GLU CB C 18 29.947 29.347 0.600 1
1 239 . 1 1 1 A 18 18 GLU N N 18 124.750 126.408 -1.658 1
1 240 . 1 1 1 A 19 19 GLU H H 19 8.187 7.728 0.459 1
1 241 . 1 1 1 A 19 19 GLU HA H 19 3.885 4.179 -0.294 1
1 246 . 1 1 1 A 19 19 GLU C C 19 177.350 175.233 2.117 1
1 247 . 1 1 1 A 19 19 GLU CA C 19 57.730 57.527 0.203 1
1 248 . 1 1 1 A 19 19 GLU CB C 19 29.744 29.337 0.407 1
1 250 . 1 1 1 A 19 19 GLU N N 19 117.280 117.718 -0.438 1
1 251 . 1 1 1 A 20 20 TYR H H 20 7.135 7.743 -0.608 1
1 252 . 1 1 1 A 20 20 TYR HA H 20 4.668 4.934 -0.266 1
1 259 . 1 1 1 A 20 20 TYR CA C 20 56.050 56.934 -0.884 1
1 260 . 1 1 1 A 20 20 TYR CB C 20 38.464 40.850 -2.386 1
1 263 . 1 1 1 A 20 20 TYR N N 20 117.730 119.488 -1.758 1
1 264 . 1 1 1 A 21 21 GLU H H 21 10.044 9.057 0.987 1
1 265 . 1 1 1 A 21 21 GLU HA H 21 3.807 3.893 -0.086 1
1 270 . 1 1 1 A 21 21 GLU C C 21 179.150 178.040 1.110 1
1 271 . 1 1 1 A 21 21 GLU CA C 21 60.640 60.060 0.580 1
1 272 . 1 1 1 A 21 21 GLU CB C 21 29.167 29.327 -0.160 1
1 274 . 1 1 1 A 21 21 GLU N N 21 129.480 125.091 4.389 1
1 275 . 1 1 1 A 22 22 VAL H H 22 9.539 8.134 1.405 1
1 276 . 1 1 1 A 22 22 VAL HA H 22 3.574 3.630 -0.056 1
1 284 . 1 1 1 A 22 22 VAL C C 22 175.490 177.891 -2.401 1
1 285 . 1 1 1 A 22 22 VAL CA C 22 64.470 65.238 -0.768 1
1 286 . 1 1 1 A 22 22 VAL CB C 22 30.858 30.900 -0.042 1
1 289 . 1 1 1 A 22 22 VAL N N 22 115.360 119.068 -3.708 1
1 290 . 1 1 1 A 23 23 VAL H H 23 6.843 8.153 -1.310 1
1 291 . 1 1 1 A 23 23 VAL HA H 23 3.387 3.618 -0.231 1
1 299 . 1 1 1 A 23 23 VAL C C 23 176.900 177.891 -0.991 1
1 300 . 1 1 1 A 23 23 VAL CA C 23 67.030 66.645 0.385 1
1 301 . 1 1 1 A 23 23 VAL CB C 23 31.499 31.532 -0.033 1
1 304 . 1 1 1 A 23 23 VAL N N 23 121.150 121.439 -0.289 1
1 305 . 1 1 1 A 24 24 LYS H H 24 7.533 7.588 -0.055 1
1 306 . 1 1 1 A 24 24 LYS HA H 24 3.851 3.964 -0.113 1
1 315 . 1 1 1 A 24 24 LYS C C 24 179.820 179.368 0.452 1
1 316 . 1 1 1 A 24 24 LYS CA C 24 60.480 59.998 0.482 1
1 317 . 1 1 1 A 24 24 LYS CB C 24 32.626 32.399 0.227 1
1 321 . 1 1 1 A 24 24 LYS N N 24 120.120 119.367 0.753 1
1 322 . 1 1 1 A 25 25 LEU H H 25 7.870 8.164 -0.294 1
1 323 . 1 1 1 A 25 25 LEU HA H 25 4.097 4.171 -0.074 1
1 333 . 1 1 1 A 25 25 LEU C C 25 180.620 179.525 1.095 1
1 334 . 1 1 1 A 25 25 LEU CA C 25 57.440 57.037 0.403 1
1 335 . 1 1 1 A 25 25 LEU CB C 25 41.717 41.409 0.308 1
1 339 . 1 1 1 A 25 25 LEU N N 25 117.260 119.882 -2.622 1
1 340 . 1 1 1 A 26 26 LEU H H 26 8.489 8.344 0.145 1
1 341 . 1 1 1 A 26 26 LEU HA H 26 3.703 3.959 -0.256 1
1 351 . 1 1 1 A 26 26 LEU C C 26 178.820 179.040 -0.220 1
1 352 . 1 1 1 A 26 26 LEU CA C 26 58.310 57.075 1.235 1
1 353 . 1 1 1 A 26 26 LEU CB C 26 42.487 41.014 1.473 1
1 357 . 1 1 1 A 26 26 LEU N N 26 121.760 119.373 2.387 1
1 358 . 1 1 1 A 27 27 LYS H H 27 8.190 7.911 0.279 1
1 359 . 1 1 1 A 27 27 LYS HA H 27 3.799 4.401 -0.602 1
1 368 . 1 1 1 A 27 27 LYS C C 27 177.470 178.559 -1.089 1
1 369 . 1 1 1 A 27 27 LYS CA C 27 60.480 58.936 1.544 1
1 370 . 1 1 1 A 27 27 LYS CB C 27 33.472 32.118 1.354 1
1 374 . 1 1 1 A 27 27 LYS N N 27 117.650 121.216 -3.566 1
1 375 . 1 1 1 A 28 28 GLU H H 28 6.841 7.761 -0.920 1
1 376 . 1 1 1 A 28 28 GLU HA H 28 4.238 4.251 -0.013 1
1 381 . 1 1 1 A 28 28 GLU C C 28 177.280 177.664 -0.384 1
1 382 . 1 1 1 A 28 28 GLU CA C 28 57.370 58.347 -0.977 1
1 383 . 1 1 1 A 28 28 GLU CB C 28 30.480 30.007 0.473 1
1 385 . 1 1 1 A 28 28 GLU N N 28 111.940 117.159 -5.219 1
1 386 . 1 1 1 A 29 29 LYS H H 29 7.577 7.993 -0.416 1
1 387 . 1 1 1 A 29 29 LYS HA H 29 4.414 4.478 -0.064 1
1 396 . 1 1 1 A 29 29 LYS C C 29 175.230 174.798 0.432 1
1 397 . 1 1 1 A 29 29 LYS CA C 29 53.800 54.974 -1.174 1
1 398 . 1 1 1 A 29 29 LYS CB C 29 33.530 32.720 0.810 1
1 402 . 1 1 1 A 29 29 LYS N N 29 115.460 117.623 -2.163 1
1 403 . 1 1 1 A 30 30 ILE H H 30 6.921 7.514 -0.593 1
1 404 . 1 1 1 A 30 30 ILE HA H 30 3.939 4.683 -0.744 1
1 414 . 1 1 1 A 30 30 ILE CA C 30 60.290 57.429 2.861 1
1 415 . 1 1 1 A 30 30 ILE CB C 30 39.967 40.969 -1.002 1
1 419 . 1 1 1 A 30 30 ILE N N 30 122.100 120.954 1.146 1
1 420 . 1 1 1 A 31 31 PRO HA H 31 4.840 4.728 0.112 1
1 427 . 1 1 1 A 31 31 PRO C C 31 175.340 176.414 -1.074 1
1 428 . 1 1 1 A 31 31 PRO CA C 31 62.720 62.577 0.143 1
1 429 . 1 1 1 A 31 31 PRO CB C 31 36.350 33.290 3.060 1
1 432 . 1 1 1 A 32 32 PHE H H 32 7.627 8.781 -1.154 1
1 433 . 1 1 1 A 32 32 PHE HA H 32 4.959 5.067 -0.108 1
1 441 . 1 1 1 A 32 32 PHE C C 32 171.870 172.343 -0.473 1
1 442 . 1 1 1 A 32 32 PHE CA C 32 56.300 56.342 -0.042 1
1 443 . 1 1 1 A 32 32 PHE CB C 32 40.253 41.458 -1.205 1
1 447 . 1 1 1 A 32 32 PHE N N 32 112.880 117.261 -4.381 1
1 448 . 1 1 1 A 33 33 GLU H H 33 8.728 8.731 -0.003 1
1 449 . 1 1 1 A 33 33 GLU HA H 33 5.309 5.205 0.104 1
1 454 . 1 1 1 A 33 33 GLU C C 33 175.630 175.048 0.582 1
1 455 . 1 1 1 A 33 33 GLU CA C 33 54.450 54.706 -0.256 1
1 456 . 1 1 1 A 33 33 GLU CB C 33 33.814 33.239 0.575 1
1 458 . 1 1 1 A 33 33 GLU N N 33 118.710 119.376 -0.666 1
1 459 . 1 1 1 A 34 34 SER H H 34 8.964 8.528 0.436 1
1 460 . 1 1 1 A 34 34 SER HA H 34 4.803 4.902 -0.099 1
1 463 . 1 1 1 A 34 34 SER C C 34 174.560 173.212 1.348 1
1 464 . 1 1 1 A 34 34 SER CA C 34 55.830 56.783 -0.953 1
1 465 . 1 1 1 A 34 34 SER CB C 34 64.270 65.803 -1.533 1
1 466 . 1 1 1 A 34 34 SER N N 34 115.150 115.163 -0.013 1
1 467 . 1 1 1 A 35 35 VAL H H 35 8.322 8.845 -0.523 1
1 468 . 1 1 1 A 35 35 VAL HA H 35 4.724 4.142 0.582 1
1 476 . 1 1 1 A 35 35 VAL C C 35 174.950 175.767 -0.817 1
1 477 . 1 1 1 A 35 35 VAL CA C 35 61.350 63.004 -1.654 1
1 478 . 1 1 1 A 35 35 VAL CB C 35 35.676 31.851 3.825 1
1 481 . 1 1 1 A 35 35 VAL N N 35 121.700 123.802 -2.102 1
1 482 . 1 1 1 A 36 36 VAL H H 36 9.200 8.728 0.472 1
1 483 . 1 1 1 A 36 36 VAL HA H 36 3.999 4.316 -0.317 1
1 491 . 1 1 1 A 36 36 VAL C C 36 175.490 175.533 -0.043 1
1 492 . 1 1 1 A 36 36 VAL CA C 36 63.900 62.193 1.707 1
1 493 . 1 1 1 A 36 36 VAL CB C 36 33.593 30.956 2.637 1
1 496 . 1 1 1 A 36 36 VAL N N 36 123.870 128.212 -4.342 1
1 497 . 1 1 1 A 37 37 ASN H H 37 8.739 8.925 -0.186 1
1 498 . 1 1 1 A 37 37 ASN HA H 37 5.276 5.087 0.189 1
1 503 . 1 1 1 A 37 37 ASN C C 37 174.040 175.060 -1.020 1
1 504 . 1 1 1 A 37 37 ASN CA C 37 51.960 52.712 -0.752 1
1 505 . 1 1 1 A 37 37 ASN CB C 37 41.996 39.733 2.263 1
1 506 . 1 1 1 A 37 37 ASN N N 37 123.895 125.889 -1.994 1
1 508 . 1 1 1 A 38 38 THR H H 38 8.703 8.748 -0.045 1
1 509 . 1 1 1 A 38 38 THR HA H 38 5.323 5.457 -0.134 1
1 514 . 1 1 1 A 38 38 THR C C 38 174.910 173.631 1.279 1
1 515 . 1 1 1 A 38 38 THR CA C 38 59.740 59.484 0.256 1
1 516 . 1 1 1 A 38 38 THR CB C 38 71.332 72.239 -0.907 1
1 518 . 1 1 1 A 38 38 THR N N 38 111.440 110.373 1.067 1
1 519 . 1 1 1 A 39 39 TRP H H 39 8.489 9.208 -0.719 1
1 520 . 1 1 1 A 39 39 TRP HA H 39 4.838 4.982 -0.144 1
1 529 . 1 1 1 A 39 39 TRP C C 39 175.270 176.350 -1.080 1
1 530 . 1 1 1 A 39 39 TRP CA C 39 57.040 56.914 0.126 1
1 531 . 1 1 1 A 39 39 TRP CB C 39 29.089 31.604 -2.515 1
1 537 . 1 1 1 A 39 39 TRP N N 39 125.321 123.738 1.583 1
1 539 . 1 1 1 A 40 40 GLY H H 40 8.596 9.043 -0.447 1
1 540 . 1 1 1 A 40 40 GLY HA2 H 40 3.528 3.586 -0.058 1
1 541 . 1 1 1 A 40 40 GLY HA3 H 40 3.465 3.740 -0.275 1
1 542 . 1 1 1 A 40 40 GLY CA C 40 47.619 47.202 0.417 1
1 543 . 1 1 1 A 40 40 GLY N N 40 113.220 116.724 -3.504 1
1 544 . 1 1 1 A 41 41 GLU H H 41 7.870 8.377 -0.507 1
1 545 . 1 1 1 A 41 41 GLU HA H 41 3.717 4.231 -0.514 1
1 550 . 1 1 1 A 41 41 GLU C C 41 171.810 174.971 -3.161 1
1 551 . 1 1 1 A 41 41 GLU CA C 41 55.390 55.171 0.219 1
1 552 . 1 1 1 A 41 41 GLU CB C 41 26.025 30.665 -4.640 1
1 554 . 1 1 1 A 41 41 GLU N N 41 128.227 124.426 3.801 1
1 555 . 1 1 1 A 42 42 GLU H H 42 7.158 7.514 -0.356 1
1 556 . 1 1 1 A 42 42 GLU HA H 42 4.811 4.683 0.128 1
1 561 . 1 1 1 A 42 42 GLU C C 42 175.680 174.391 1.289 1
1 562 . 1 1 1 A 42 42 GLU CA C 42 53.860 54.449 -0.589 1
1 563 . 1 1 1 A 42 42 GLU CB C 42 31.149 33.407 -2.258 1
1 565 . 1 1 1 A 42 42 GLU N N 42 116.880 117.055 -0.175 1
1 566 . 1 1 1 A 43 43 ILE H H 43 8.226 8.466 -0.240 1
1 567 . 1 1 1 A 43 43 ILE HA H 43 4.934 5.423 -0.489 1
1 577 . 1 1 1 A 43 43 ILE C C 43 174.420 174.224 0.196 1
1 578 . 1 1 1 A 43 43 ILE CA C 43 59.250 60.097 -0.847 1
1 579 . 1 1 1 A 43 43 ILE CB C 43 43.278 41.203 2.075 1
1 583 . 1 1 1 A 43 43 ILE N N 43 125.120 122.114 3.006 1
1 584 . 1 1 1 A 44 44 TYR H H 44 9.318 8.927 0.391 1
1 585 . 1 1 1 A 44 44 TYR HA H 44 6.008 5.531 0.477 1
1 592 . 1 1 1 A 44 44 TYR C C 44 174.150 173.408 0.742 1
1 593 . 1 1 1 A 44 44 TYR CA C 44 55.740 55.878 -0.138 1
1 594 . 1 1 1 A 44 44 TYR CB C 44 42.606 41.855 0.751 1
1 597 . 1 1 1 A 44 44 TYR N N 44 124.370 122.670 1.700 1
1 598 . 1 1 1 A 45 45 PHE H H 45 8.211 8.869 -0.658 1
1 599 . 1 1 1 A 45 45 PHE HA H 45 5.088 5.220 -0.132 1
1 607 . 1 1 1 A 45 45 PHE C C 45 173.730 172.869 0.861 1
1 608 . 1 1 1 A 45 45 PHE CA C 45 55.140 55.948 -0.808 1
1 609 . 1 1 1 A 45 45 PHE CB C 45 40.793 41.440 -0.647 1
1 613 . 1 1 1 A 45 45 PHE N N 45 114.110 116.988 -2.878 1
1 614 . 1 1 1 A 46 46 SER H H 46 9.523 8.933 0.590 1
1 615 . 1 1 1 A 46 46 SER HA H 46 4.316 4.809 -0.493 1
1 618 . 1 1 1 A 46 46 SER C C 46 174.360 174.552 -0.192 1
1 619 . 1 1 1 A 46 46 SER CA C 46 59.960 58.235 1.725 1
1 620 . 1 1 1 A 46 46 SER CB C 46 63.980 61.975 2.005 1
1 621 . 1 1 1 A 46 46 SER N N 46 117.150 117.383 -0.233 1
1 622 . 1 1 1 A 47 47 THR H H 47 8.225 8.311 -0.086 1
1 623 . 1 1 1 A 47 47 THR HA H 47 4.971 4.700 0.271 1
1 628 . 1 1 1 A 47 47 THR CA C 47 59.160 60.700 -1.540 1
1 629 . 1 1 1 A 47 47 THR CB C 47 70.385 68.929 1.456 1
1 631 . 1 1 1 A 47 47 THR N N 47 113.910 118.919 -5.009 1
1 632 . 1 1 1 A 48 48 PRO HA H 48 4.585 4.511 0.074 1
1 639 . 1 1 1 A 48 48 PRO C C 48 175.940 176.268 -0.328 1
1 640 . 1 1 1 A 48 48 PRO CA C 48 62.410 63.682 -1.272 1
1 641 . 1 1 1 A 48 48 PRO CB C 48 31.770 31.837 -0.067 1
1 644 . 1 1 1 A 49 49 VAL H H 49 7.458 7.542 -0.084 1
1 645 . 1 1 1 A 49 49 VAL HA H 49 4.178 4.152 0.026 1
1 653 . 1 1 1 A 49 49 VAL C C 49 174.070 175.674 -1.604 1
1 654 . 1 1 1 A 49 49 VAL CA C 49 60.840 63.139 -2.299 1
1 655 . 1 1 1 A 49 49 VAL CB C 49 34.134 32.938 1.196 1
1 658 . 1 1 1 A 49 49 VAL N N 49 114.800 119.735 -4.935 1
1 659 . 1 1 1 A 50 50 ASN H H 50 8.897 8.794 0.103 1
1 660 . 1 1 1 A 50 50 ASN HA H 50 4.684 5.626 -0.942 1
1 665 . 1 1 1 A 50 50 ASN C C 50 173.550 173.871 -0.321 1
1 666 . 1 1 1 A 50 50 ASN CA C 50 51.610 52.457 -0.847 1
1 667 . 1 1 1 A 50 50 ASN CB C 50 39.730 40.706 -0.976 1
1 668 . 1 1 1 A 50 50 ASN N N 50 126.400 122.007 4.393 1
1 670 . 1 1 1 A 51 51 VAL H H 51 7.587 9.092 -1.505 1
1 671 . 1 1 1 A 51 51 VAL HA H 51 4.148 4.737 -0.589 1
1 679 . 1 1 1 A 51 51 VAL C C 51 174.350 175.386 -1.036 1
1 680 . 1 1 1 A 51 51 VAL CA C 51 61.280 60.200 1.080 1
1 681 . 1 1 1 A 51 51 VAL CB C 51 35.206 35.596 -0.390 1
1 684 . 1 1 1 A 51 51 VAL N N 51 122.670 124.039 -1.369 1
1 685 . 1 1 1 A 52 52 GLN H H 52 8.337 8.821 -0.484 1
1 686 . 1 1 1 A 52 52 GLN HA H 52 4.094 4.653 -0.559 1
1 693 . 1 1 1 A 52 52 GLN C C 52 176.240 175.678 0.562 1
1 694 . 1 1 1 A 52 52 GLN CA C 52 56.560 55.424 1.136 1
1 695 . 1 1 1 A 52 52 GLN CB C 52 29.745 30.105 -0.360 1
1 697 . 1 1 1 A 52 52 GLN N N 52 122.670 123.510 -0.840 1
1 699 . 1 1 1 A 53 53 LYS H H 53 7.363 7.499 -0.136 1
1 700 . 1 1 1 A 53 53 LYS HA H 53 3.994 4.163 -0.169 1
1 709 . 1 1 1 A 53 53 LYS C C 53 176.010 175.662 0.348 1
1 710 . 1 1 1 A 53 53 LYS CA C 53 56.960 56.831 0.129 1
1 711 . 1 1 1 A 53 53 LYS CB C 53 33.000 32.955 0.045 1
1 715 . 1 1 1 A 53 53 LYS N N 53 119.940 122.666 -2.726 1
1 716 . 1 1 1 A 54 54 MET H H 54 8.797 8.636 0.161 1
1 717 . 1 1 1 A 54 54 MET HA H 54 4.449 5.118 -0.669 1
1 725 . 1 1 1 A 54 54 MET C C 54 174.630 175.738 -1.108 1
1 726 . 1 1 1 A 54 54 MET CA C 54 54.530 53.824 0.706 1
1 727 . 1 1 1 A 54 54 MET CB C 54 36.912 34.751 2.161 1
1 730 . 1 1 1 A 54 54 MET N N 54 124.720 123.383 1.337 1
1 731 . 1 1 1 A 55 55 GLU H H 55 9.773 8.610 1.163 1
1 732 . 1 1 1 A 55 55 GLU HA H 55 4.029 4.288 -0.259 1
1 737 . 1 1 1 A 55 55 GLU C C 55 176.930 177.136 -0.206 1
1 738 . 1 1 1 A 55 55 GLU CA C 55 59.910 58.576 1.334 1
1 739 . 1 1 1 A 55 55 GLU CB C 55 29.611 30.697 -1.086 1
1 741 . 1 1 1 A 55 55 GLU N N 55 124.250 123.373 0.877 1
1 742 . 1 1 1 A 56 56 ASN H H 56 8.371 7.741 0.630 1
1 743 . 1 1 1 A 56 56 ASN HA H 56 5.163 5.125 0.038 1
1 748 . 1 1 1 A 56 56 ASN CA C 56 50.680 50.367 0.313 1
1 749 . 1 1 1 A 56 56 ASN CB C 56 39.563 38.922 0.641 1
1 750 . 1 1 1 A 56 56 ASN N N 56 115.600 118.575 -2.975 1
1 752 . 1 1 1 A 57 57 PRO HA H 57 4.854 4.766 0.088 1
1 759 . 1 1 1 A 57 57 PRO C C 57 178.760 175.855 2.905 1
1 760 . 1 1 1 A 57 57 PRO CA C 57 62.630 62.746 -0.116 1
1 761 . 1 1 1 A 57 57 PRO CB C 57 32.197 32.800 -0.603 1
1 764 . 1 1 1 A 58 58 ARG H H 58 9.448 8.790 0.658 1
1 765 . 1 1 1 A 58 58 ARG HA H 58 4.636 4.821 -0.185 1
1 773 . 1 1 1 A 58 58 ARG C C 58 175.430 175.551 -0.121 1
1 774 . 1 1 1 A 58 58 ARG CA C 58 54.210 54.264 -0.054 1
1 775 . 1 1 1 A 58 58 ARG CB C 58 34.208 34.788 -0.580 1
1 778 . 1 1 1 A 58 58 ARG N N 58 122.690 120.971 1.719 1
1 780 . 1 1 1 A 59 59 GLU H H 59 8.694 8.717 -0.023 1
1 781 . 1 1 1 A 59 59 GLU HA H 59 4.096 4.656 -0.560 1
1 786 . 1 1 1 A 59 59 GLU C C 59 175.210 175.565 -0.355 1
1 787 . 1 1 1 A 59 59 GLU CA C 59 56.470 56.127 0.343 1
1 788 . 1 1 1 A 59 59 GLU CB C 59 31.074 31.035 0.039 1
1 790 . 1 1 1 A 59 59 GLU N N 59 119.520 118.703 0.817 1
1 791 . 1 1 1 A 60 60 VAL H H 60 7.296 7.519 -0.223 1
1 792 . 1 1 1 A 60 60 VAL HA H 60 4.471 4.480 -0.009 1
1 800 . 1 1 1 A 60 60 VAL C C 60 174.900 173.485 1.415 1
1 801 . 1 1 1 A 60 60 VAL CA C 60 61.058 60.558 0.500 1
1 802 . 1 1 1 A 60 60 VAL CB C 60 35.056 34.448 0.608 1
1 805 . 1 1 1 A 60 60 VAL N N 60 117.380 117.493 -0.113 1
1 806 . 1 1 1 A 61 61 VAL H H 61 8.064 8.233 -0.169 1
1 807 . 1 1 1 A 61 61 VAL HA H 61 4.540 4.895 -0.355 1
1 815 . 1 1 1 A 61 61 VAL C C 61 172.880 175.087 -2.207 1
1 816 . 1 1 1 A 61 61 VAL CA C 61 58.820 58.956 -0.136 1
1 817 . 1 1 1 A 61 61 VAL CB C 61 33.464 36.273 -2.809 1
1 820 . 1 1 1 A 61 61 VAL N N 61 117.630 120.579 -2.949 1
1 821 . 1 1 1 A 62 62 GLU H H 62 8.620 8.672 -0.052 1
1 822 . 1 1 1 A 62 62 GLU HA H 62 4.543 4.541 0.002 1
1 827 . 1 1 1 A 62 62 GLU C C 62 176.350 177.799 -1.449 1
1 828 . 1 1 1 A 62 62 GLU CA C 62 53.640 55.037 -1.397 1
1 829 . 1 1 1 A 62 62 GLU CB C 62 32.360 31.242 1.118 1
1 831 . 1 1 1 A 62 62 GLU N N 62 118.060 120.128 -2.068 1
1 832 . 1 1 1 A 63 63 ILE H H 63 8.520 8.490 0.030 1
1 833 . 1 1 1 A 63 63 ILE HA H 63 3.275 4.141 -0.866 1
1 843 . 1 1 1 A 63 63 ILE C C 63 177.940 176.283 1.657 1
1 844 . 1 1 1 A 63 63 ILE CA C 63 64.410 62.138 2.272 1
1 845 . 1 1 1 A 63 63 ILE CB C 63 37.674 37.646 0.028 1
1 849 . 1 1 1 A 63 63 ILE N N 63 120.310 121.597 -1.287 1
1 850 . 1 1 1 A 64 64 GLY H H 64 9.091 7.940 1.151 1
1 851 . 1 1 1 A 64 64 GLY HA2 H 64 3.563 4.189 -0.626 1
1 852 . 1 1 1 A 64 64 GLY HA3 H 64 4.774 4.225 0.549 1
1 853 . 1 1 1 A 64 64 GLY C C 64 173.290 173.256 0.034 1
1 854 . 1 1 1 A 64 64 GLY CA C 64 45.359 45.731 -0.372 1
1 855 . 1 1 1 A 64 64 GLY N N 64 116.340 109.302 7.038 1
1 856 . 1 1 1 A 65 65 ASP H H 65 8.335 7.862 0.473 1
1 857 . 1 1 1 A 65 65 ASP HA H 65 4.914 5.246 -0.332 1
1 860 . 1 1 1 A 65 65 ASP C C 65 175.180 174.966 0.214 1
1 861 . 1 1 1 A 65 65 ASP CA C 65 56.630 53.097 3.533 1
1 862 . 1 1 1 A 65 65 ASP CB C 65 41.980 43.921 -1.941 1
1 863 . 1 1 1 A 65 65 ASP N N 65 121.610 119.688 1.922 1
1 864 . 1 1 1 A 66 66 VAL H H 66 7.580 8.824 -1.244 1
1 865 . 1 1 1 A 66 66 VAL HA H 66 5.085 4.999 0.086 1
1 873 . 1 1 1 A 66 66 VAL C C 66 176.170 174.902 1.268 1
1 874 . 1 1 1 A 66 66 VAL CA C 66 60.240 60.860 -0.620 1
1 875 . 1 1 1 A 66 66 VAL CB C 66 33.783 36.234 -2.451 1
1 878 . 1 1 1 A 66 66 VAL N N 66 117.330 120.566 -3.236 1
1 879 . 1 1 1 A 67 67 GLY H H 67 9.592 8.782 0.810 1
1 880 . 1 1 1 A 67 67 GLY HA2 H 67 5.899 4.485 1.414 1
1 881 . 1 1 1 A 67 67 GLY HA3 H 67 3.200 4.554 -1.354 1
1 882 . 1 1 1 A 67 67 GLY C C 67 171.740 171.716 0.024 1
1 883 . 1 1 1 A 67 67 GLY CA C 67 43.580 44.346 -0.766 1
1 884 . 1 1 1 A 67 67 GLY N N 67 111.440 114.317 -2.877 1
1 885 . 1 1 1 A 68 68 TYR H H 68 9.146 8.585 0.561 1
1 886 . 1 1 1 A 68 68 TYR HA H 68 5.809 5.205 0.604 1
1 889 . 1 1 1 A 68 68 TYR C C 68 173.860 174.017 -0.157 1
1 890 . 1 1 1 A 68 68 TYR CA C 68 55.900 56.672 -0.772 1
1 891 . 1 1 1 A 68 68 TYR CB C 68 42.170 41.868 0.302 1
1 892 . 1 1 1 A 68 68 TYR N N 68 119.980 121.627 -1.647 1
1 893 . 1 1 1 A 69 69 TRP H H 69 9.213 8.368 0.845 1
1 894 . 1 1 1 A 69 69 TRP HA H 69 5.268 4.991 0.277 1
1 902 . 1 1 1 A 69 69 TRP CA C 69 53.390 55.101 -1.711 1
1 903 . 1 1 1 A 69 69 TRP CB C 69 30.442 29.820 0.622 1
1 908 . 1 1 1 A 69 69 TRP N N 69 132.150 129.466 2.684 1
1 910 . 1 1 1 A 70 70 PRO HA H 70 3.923 4.467 -0.544 1
1 917 . 1 1 1 A 70 70 PRO CA C 70 66.753 65.785 0.968 1
1 918 . 1 1 1 A 70 70 PRO CB C 70 30.054 31.932 -1.878 1
1 921 . 1 1 1 A 71 71 PRO HA H 71 3.716 4.161 -0.445 1
1 928 . 1 1 1 A 71 71 PRO CA C 71 65.803 64.855 0.948 1
1 929 . 1 1 1 A 71 71 PRO CB C 71 30.620 30.933 -0.313 1
1 932 . 1 1 1 A 72 72 GLY HA2 H 72 3.168 3.892 -0.724 1
1 933 . 1 1 1 A 72 72 GLY HA3 H 72 4.271 3.937 0.334 1
1 934 . 1 1 1 A 72 72 GLY C C 72 173.220 173.374 -0.154 1
1 935 . 1 1 1 A 72 72 GLY CA C 72 44.350 44.978 -0.628 1
1 936 . 1 1 1 A 73 73 LYS H H 73 7.989 7.727 0.262 1
1 937 . 1 1 1 A 73 73 LYS HA H 73 3.566 3.780 -0.214 1
1 946 . 1 1 1 A 73 73 LYS C C 73 177.420 174.474 2.946 1
1 947 . 1 1 1 A 73 73 LYS CA C 73 57.790 57.027 0.763 1
1 948 . 1 1 1 A 73 73 LYS CB C 73 29.398 29.552 -0.154 1
1 952 . 1 1 1 A 73 73 LYS N N 73 121.515 115.248 6.267 1
1 953 . 1 1 1 A 74 74 ALA H H 74 6.969 7.743 -0.774 1
1 954 . 1 1 1 A 74 74 ALA HA H 74 5.123 4.961 0.162 1
1 958 . 1 1 1 A 74 74 ALA C C 74 177.490 176.467 1.023 1
1 959 . 1 1 1 A 74 74 ALA CA C 74 51.900 50.266 1.634 1
1 960 . 1 1 1 A 74 74 ALA CB C 74 23.090 22.541 0.549 1
1 961 . 1 1 1 A 74 74 ALA N N 74 118.780 119.803 -1.023 1
1 962 . 1 1 1 A 75 75 LEU H H 75 8.032 7.908 0.124 1
1 963 . 1 1 1 A 75 75 LEU HA H 75 4.844 4.224 0.620 1
1 973 . 1 1 1 A 75 75 LEU C C 75 175.540 175.505 0.035 1
1 974 . 1 1 1 A 75 75 LEU CA C 75 54.000 54.025 -0.025 1
1 975 . 1 1 1 A 75 75 LEU CB C 75 43.858 42.832 1.026 1
1 979 . 1 1 1 A 75 75 LEU N N 75 122.780 122.027 0.753 1
1 980 . 1 1 1 A 76 76 CYS H H 76 8.813 8.401 0.412 1
1 981 . 1 1 1 A 76 76 CYS HA H 76 5.178 4.988 0.190 1
1 984 . 1 1 1 A 76 76 CYS C C 76 173.080 173.060 0.020 1
1 985 . 1 1 1 A 76 76 CYS CA C 76 55.850 57.429 -1.579 1
1 986 . 1 1 1 A 76 76 CYS CB C 76 31.922 32.340 -0.418 1
1 987 . 1 1 1 A 76 76 CYS N N 76 117.950 120.233 -2.283 1
1 988 . 1 1 1 A 77 77 LEU H H 77 9.621 8.110 1.511 1
1 989 . 1 1 1 A 77 77 LEU HA H 77 4.741 4.872 -0.131 1
1 999 . 1 1 1 A 77 77 LEU C C 77 175.040 175.434 -0.394 1
1 1000 . 1 1 1 A 77 77 LEU CA C 77 53.510 54.328 -0.818 1
1 1001 . 1 1 1 A 77 77 LEU CB C 77 44.058 44.227 -0.169 1
1 1005 . 1 1 1 A 77 77 LEU N N 77 123.140 122.395 0.745 1
1 1006 . 1 1 1 A 78 78 PHE H H 78 7.930 9.040 -1.110 1
1 1007 . 1 1 1 A 78 78 PHE HA H 78 4.809 4.907 -0.098 1
1 1015 . 1 1 1 A 78 78 PHE C C 78 174.830 176.217 -1.387 1
1 1016 . 1 1 1 A 78 78 PHE CA C 78 58.140 56.153 1.987 1
1 1017 . 1 1 1 A 78 78 PHE CB C 78 39.603 40.631 -1.028 1
1 1021 . 1 1 1 A 78 78 PHE N N 78 120.120 124.602 -4.482 1
1 1022 . 1 1 1 A 79 79 PHE H H 79 8.038 7.643 0.395 1
1 1023 . 1 1 1 A 79 79 PHE HA H 79 5.029 5.213 -0.184 1
1 1031 . 1 1 1 A 79 79 PHE C C 79 172.070 174.936 -2.866 1
1 1032 . 1 1 1 A 79 79 PHE CA C 79 55.630 56.532 -0.902 1
1 1033 . 1 1 1 A 79 79 PHE CB C 79 39.003 41.857 -2.854 1
1 1037 . 1 1 1 A 79 79 PHE N N 79 119.040 118.754 0.286 1
1 1038 . 1 1 1 A 80 80 GLY H H 80 7.489 7.380 0.109 1
1 1039 . 1 1 1 A 80 80 GLY HA2 H 80 3.653 3.935 -0.282 1
1 1040 . 1 1 1 A 80 80 GLY HA3 H 80 4.283 3.979 0.304 1
1 1041 . 1 1 1 A 80 80 GLY C C 80 170.830 171.823 -0.993 1
1 1042 . 1 1 1 A 80 80 GLY CA C 80 45.342 45.284 0.058 1
1 1043 . 1 1 1 A 80 80 GLY N N 80 110.010 108.453 1.557 1
1 1044 . 1 1 1 A 81 81 LYS H H 81 8.186 8.190 -0.004 1
1 1045 . 1 1 1 A 81 81 LYS HA H 81 4.003 4.465 -0.462 1
1 1054 . 1 1 1 A 81 81 LYS C C 81 177.530 176.009 1.521 1
1 1055 . 1 1 1 A 81 81 LYS CA C 81 57.730 55.627 2.103 1
1 1056 . 1 1 1 A 81 81 LYS CB C 81 33.293 33.064 0.229 1
1 1060 . 1 1 1 A 81 81 LYS N N 81 117.260 121.120 -3.860 1
1 1061 . 1 1 1 A 82 82 THR H H 82 8.076 8.585 -0.509 1
1 1062 . 1 1 1 A 82 82 THR HA H 82 4.423 4.336 0.087 1
1 1067 . 1 1 1 A 82 82 THR CA C 82 59.230 60.377 -1.147 1
1 1068 . 1 1 1 A 82 82 THR CB C 82 68.310 68.865 -0.555 1
1 1070 . 1 1 1 A 82 82 THR N N 82 113.611 117.682 -4.071 1
1 1071 . 1 1 1 A 83 83 PRO HA H 83 4.090 4.385 -0.295 1
1 1078 . 1 1 1 A 83 83 PRO CA C 83 63.743 63.935 -0.192 1
1 1079 . 1 1 1 A 83 83 PRO CB C 83 32.167 31.343 0.824 1
1 1082 . 1 1 1 A 84 84 MET HA H 84 4.220 4.633 -0.413 1
1 1090 . 1 1 1 A 84 84 MET C C 84 175.920 174.389 1.531 1
1 1091 . 1 1 1 A 84 84 MET CA C 84 55.880 54.279 1.601 1
1 1092 . 1 1 1 A 84 84 MET CB C 84 33.070 32.091 0.979 1
1 1095 . 1 1 1 A 85 85 SER H H 85 7.256 7.763 -0.507 1
1 1096 . 1 1 1 A 85 85 SER HA H 85 4.401 4.646 -0.245 1
1 1099 . 1 1 1 A 85 85 SER C C 85 173.380 173.073 0.307 1
1 1100 . 1 1 1 A 85 85 SER CA C 85 58.230 57.241 0.989 1
1 1101 . 1 1 1 A 85 85 SER CB C 85 64.290 65.518 -1.228 1
1 1102 . 1 1 1 A 85 85 SER N N 85 111.370 114.721 -3.351 1
1 1103 . 1 1 1 A 86 86 ASP H H 86 8.517 8.882 -0.365 1
1 1104 . 1 1 1 A 86 86 ASP HA H 86 4.692 4.678 0.014 1
1 1107 . 1 1 1 A 86 86 ASP C C 86 175.860 177.024 -1.164 1
1 1108 . 1 1 1 A 86 86 ASP CA C 86 54.150 55.637 -1.487 1
1 1109 . 1 1 1 A 86 86 ASP CB C 86 41.360 42.668 -1.308 1
1 1110 . 1 1 1 A 86 86 ASP N N 86 123.320 121.551 1.769 1
1 1111 . 1 1 1 A 87 87 ASP H H 87 8.412 8.430 -0.018 1
1 1112 . 1 1 1 A 87 87 ASP HA H 87 4.529 4.564 -0.035 1
1 1115 . 1 1 1 A 87 87 ASP C C 87 175.270 176.590 -1.320 1
1 1116 . 1 1 1 A 87 87 ASP CA C 87 54.870 56.531 -1.661 1
1 1117 . 1 1 1 A 87 87 ASP CB C 87 41.580 42.542 -0.962 1
1 1118 . 1 1 1 A 87 87 ASP N N 87 118.900 118.665 0.235 1
1 1119 . 1 1 1 A 88 88 LYS H H 88 7.869 7.571 0.298 1
1 1120 . 1 1 1 A 88 88 LYS HA H 88 4.372 4.672 -0.300 1
1 1129 . 1 1 1 A 88 88 LYS C C 88 174.870 174.976 -0.106 1
1 1130 . 1 1 1 A 88 88 LYS CA C 88 54.580 55.014 -0.434 1
1 1131 . 1 1 1 A 88 88 LYS CB C 88 34.047 35.462 -1.415 1
1 1135 . 1 1 1 A 88 88 LYS N N 88 118.310 112.892 5.418 1
1 1136 . 1 1 1 A 89 89 ILE H H 89 8.604 8.893 -0.289 1
1 1137 . 1 1 1 A 89 89 ILE HA H 89 3.873 4.197 -0.324 1
1 1147 . 1 1 1 A 89 89 ILE C C 89 174.480 175.134 -0.654 1
1 1148 . 1 1 1 A 89 89 ILE CA C 89 61.890 61.119 0.771 1
1 1149 . 1 1 1 A 89 89 ILE CB C 89 36.398 36.529 -0.131 1
1 1153 . 1 1 1 A 89 89 ILE N N 89 121.510 122.663 -1.153 1
1 1154 . 1 1 1 A 90 90 GLN H H 90 8.015 8.414 -0.399 1
1 1155 . 1 1 1 A 90 90 GLN HA H 90 5.033 4.538 0.495 1
1 1162 . 1 1 1 A 90 90 GLN CA C 90 52.110 53.855 -1.745 1
1 1163 . 1 1 1 A 90 90 GLN CB C 90 32.045 28.287 3.758 1
1 1165 . 1 1 1 A 90 90 GLN N N 90 126.430 126.118 0.312 1
1 1167 . 1 1 1 A 91 91 PRO HA H 91 4.508 4.809 -0.301 1
1 1174 . 1 1 1 A 91 91 PRO C C 91 175.210 177.227 -2.017 1
1 1175 . 1 1 1 A 91 91 PRO CA C 91 61.680 62.050 -0.370 1
1 1176 . 1 1 1 A 91 91 PRO CB C 91 32.854 32.961 -0.107 1
1 1179 . 1 1 1 A 92 92 ALA H H 92 8.014 8.640 -0.626 1
1 1180 . 1 1 1 A 92 92 ALA HA H 92 3.931 4.314 -0.383 1
1 1184 . 1 1 1 A 92 92 ALA CA C 92 55.270 54.313 0.957 1
1 1185 . 1 1 1 A 92 92 ALA CB C 92 18.838 19.013 -0.175 1
1 1186 . 1 1 1 A 92 92 ALA N N 92 121.420 122.175 -0.755 1
1 1187 . 1 1 1 A 93 93 SER H H 93 7.391 7.758 -0.367 1
1 1188 . 1 1 1 A 93 93 SER HA H 93 4.223 4.567 -0.344 1
1 1191 . 1 1 1 A 93 93 SER C C 93 171.670 172.559 -0.889 1
1 1192 . 1 1 1 A 93 93 SER CA C 93 57.240 57.084 0.156 1
1 1193 . 1 1 1 A 93 93 SER CB C 93 63.620 64.824 -1.204 1
1 1194 . 1 1 1 A 93 93 SER N N 93 105.210 111.465 -6.255 1
1 1195 . 1 1 1 A 94 94 ALA H H 94 8.276 8.449 -0.173 1
1 1196 . 1 1 1 A 94 94 ALA HA H 94 4.113 4.695 -0.582 1
1 1200 . 1 1 1 A 94 94 ALA C C 94 177.150 176.922 0.228 1
1 1201 . 1 1 1 A 94 94 ALA CA C 94 53.810 51.915 1.895 1
1 1202 . 1 1 1 A 94 94 ALA CB C 94 19.219 17.504 1.715 1
1 1203 . 1 1 1 A 94 94 ALA N N 94 117.972 125.532 -7.560 1
1 1204 . 1 1 1 A 95 95 VAL H H 95 7.886 8.046 -0.160 1
1 1205 . 1 1 1 A 95 95 VAL HA H 95 5.037 4.494 0.543 1
1 1213 . 1 1 1 A 95 95 VAL C C 95 174.060 175.882 -1.822 1
1 1214 . 1 1 1 A 95 95 VAL CA C 95 57.510 61.344 -3.834 1
1 1215 . 1 1 1 A 95 95 VAL CB C 95 35.106 33.153 1.953 1
1 1218 . 1 1 1 A 95 95 VAL N N 95 108.410 118.023 -9.613 1
1 1219 . 1 1 1 A 96 96 ASN H H 96 9.178 8.645 0.533 1
1 1220 . 1 1 1 A 96 96 ASN HA H 96 4.897 4.937 -0.040 1
1 1225 . 1 1 1 A 96 96 ASN C C 96 176.600 175.433 1.167 1
1 1226 . 1 1 1 A 96 96 ASN CA C 96 50.790 52.962 -2.172 1
1 1227 . 1 1 1 A 96 96 ASN CB C 96 39.637 38.804 0.833 1
1 1228 . 1 1 1 A 96 96 ASN N N 96 121.250 121.385 -0.135 1
1 1230 . 1 1 1 A 97 97 VAL H H 97 8.503 8.695 -0.192 1
1 1231 . 1 1 1 A 97 97 VAL HA H 97 4.421 4.670 -0.249 1
1 1239 . 1 1 1 A 97 97 VAL C C 97 176.450 176.180 0.270 1
1 1240 . 1 1 1 A 97 97 VAL CA C 97 66.030 61.883 4.147 1
1 1241 . 1 1 1 A 97 97 VAL CB C 97 30.552 32.697 -2.145 1
1 1244 . 1 1 1 A 97 97 VAL N N 97 129.670 121.916 7.754 1
1 1245 . 1 1 1 A 98 98 ILE H H 98 8.129 8.623 -0.494 1
1 1246 . 1 1 1 A 98 98 ILE HA H 98 4.628 4.639 -0.011 1
1 1256 . 1 1 1 A 98 98 ILE C C 98 174.270 175.970 -1.700 1
1 1257 . 1 1 1 A 98 98 ILE CA C 98 61.240 60.900 0.340 1
1 1258 . 1 1 1 A 98 98 ILE CB C 98 39.812 39.434 0.378 1
1 1262 . 1 1 1 A 98 98 ILE N N 98 119.500 122.045 -2.545 1
1 1263 . 1 1 1 A 99 99 GLY H H 99 7.668 8.100 -0.432 1
1 1264 . 1 1 1 A 99 99 GLY HA2 H 99 4.435 4.178 0.257 1
1 1265 . 1 1 1 A 99 99 GLY HA3 H 99 4.637 4.186 0.451 1
1 1266 . 1 1 1 A 99 99 GLY C C 99 172.410 172.336 0.074 1
1 1267 . 1 1 1 A 99 99 GLY CA C 99 46.906 44.849 2.057 1
1 1268 . 1 1 1 A 99 99 GLY N N 99 107.230 110.798 -3.568 1
1 1269 . 1 1 1 A 100 100 LYS H H 100 8.347 8.488 -0.141 1
1 1270 . 1 1 1 A 100 100 LYS HA H 100 5.540 5.073 0.467 1
1 1279 . 1 1 1 A 100 100 LYS C C 100 175.740 174.794 0.946 1
1 1280 . 1 1 1 A 100 100 LYS CA C 100 54.150 54.984 -0.834 1
1 1281 . 1 1 1 A 100 100 LYS CB C 100 37.900 36.388 1.512 1
1 1285 . 1 1 1 A 100 100 LYS N N 100 119.730 120.520 -0.790 1
1 1286 . 1 1 1 A 101 101 ILE H H 101 9.542 9.116 0.426 1
1 1287 . 1 1 1 A 101 101 ILE HA H 101 4.184 4.225 -0.041 1
1 1297 . 1 1 1 A 101 101 ILE C C 101 176.010 177.147 -1.137 1
1 1298 . 1 1 1 A 101 101 ILE CA C 101 62.940 61.698 1.242 1
1 1299 . 1 1 1 A 101 101 ILE CB C 101 39.212 37.027 2.185 1
1 1303 . 1 1 1 A 101 101 ILE N N 101 124.050 127.659 -3.609 1
1 1304 . 1 1 1 A 102 102 VAL H H 102 8.728 8.171 0.557 1
1 1305 . 1 1 1 A 102 102 VAL HA H 102 4.591 4.145 0.446 1
1 1313 . 1 1 1 A 102 102 VAL C C 102 175.730 175.946 -0.216 1
1 1314 . 1 1 1 A 102 102 VAL CA C 102 62.030 63.826 -1.796 1
1 1315 . 1 1 1 A 102 102 VAL CB C 102 33.307 32.262 1.045 1
1 1318 . 1 1 1 A 102 102 VAL N N 102 121.420 124.978 -3.558 1
1 1319 . 1 1 1 A 103 103 GLU H H 103 7.912 7.817 0.095 1
1 1320 . 1 1 1 A 103 103 GLU HA H 103 4.661 4.718 -0.057 1
1 1325 . 1 1 1 A 103 103 GLU C C 103 176.520 175.674 0.846 1
1 1326 . 1 1 1 A 103 103 GLU CA C 103 56.550 56.106 0.444 1
1 1327 . 1 1 1 A 103 103 GLU CB C 103 34.180 32.912 1.268 1
1 1329 . 1 1 1 A 103 103 GLU N N 103 120.750 120.810 -0.060 1
1 1330 . 1 1 1 A 104 104 GLY H H 104 8.934 8.665 0.269 1
1 1331 . 1 1 1 A 104 104 GLY HA2 H 104 3.932 4.032 -0.100 1
1 1332 . 1 1 1 A 104 104 GLY HA3 H 104 4.345 4.052 0.293 1
1 1333 . 1 1 1 A 104 104 GLY C C 104 175.230 175.183 0.047 1
1 1334 . 1 1 1 A 104 104 GLY CA C 104 46.616 45.449 1.167 1
1 1335 . 1 1 1 A 104 104 GLY N N 104 111.140 114.295 -3.155 1
1 1336 . 1 1 1 A 105 105 LEU H H 105 8.158 7.827 0.331 1
1 1337 . 1 1 1 A 105 105 LEU HA H 105 3.702 4.257 -0.555 1
1 1347 . 1 1 1 A 105 105 LEU C C 105 179.250 177.768 1.482 1
1 1348 . 1 1 1 A 105 105 LEU CA C 105 59.400 56.724 2.676 1
1 1349 . 1 1 1 A 105 105 LEU CB C 105 42.743 42.101 0.642 1
1 1353 . 1 1 1 A 105 105 LEU N N 105 121.390 122.493 -1.103 1
1 1354 . 1 1 1 A 106 106 GLU H H 106 8.944 7.960 0.984 1
1 1355 . 1 1 1 A 106 106 GLU HA H 106 3.978 4.447 -0.469 1
1 1360 . 1 1 1 A 106 106 GLU C C 106 178.120 177.880 0.240 1
1 1361 . 1 1 1 A 106 106 GLU CA C 106 58.720 57.209 1.511 1
1 1362 . 1 1 1 A 106 106 GLU CB C 106 28.920 30.488 -1.568 1
1 1364 . 1 1 1 A 106 106 GLU N N 106 113.860 117.968 -4.108 1
1 1365 . 1 1 1 A 107 107 ASP H H 107 7.538 7.959 -0.421 1
1 1366 . 1 1 1 A 107 107 ASP HA H 107 4.344 4.396 -0.052 1
1 1369 . 1 1 1 A 107 107 ASP C C 107 178.190 178.936 -0.746 1
1 1370 . 1 1 1 A 107 107 ASP CA C 107 55.780 56.339 -0.559 1
1 1371 . 1 1 1 A 107 107 ASP CB C 107 41.191 40.478 0.713 1
1 1372 . 1 1 1 A 107 107 ASP N N 107 119.620 120.484 -0.864 1
1 1373 . 1 1 1 A 108 108 LEU H H 108 7.115 7.354 -0.239 1
1 1374 . 1 1 1 A 108 108 LEU HA H 108 3.357 3.602 -0.245 1
1 1384 . 1 1 1 A 108 108 LEU C C 108 177.920 178.888 -0.968 1
1 1385 . 1 1 1 A 108 108 LEU CA C 108 57.000 56.925 0.075 1
1 1386 . 1 1 1 A 108 108 LEU CB C 108 38.445 40.167 -1.722 1
1 1390 . 1 1 1 A 108 108 LEU N N 108 117.551 118.748 -1.197 1
1 1391 . 1 1 1 A 109 109 LYS H H 109 7.179 7.396 -0.217 1
1 1392 . 1 1 1 A 109 109 LYS HA H 109 3.879 4.080 -0.201 1
1 1401 . 1 1 1 A 109 109 LYS C C 109 176.650 178.196 -1.546 1
1 1402 . 1 1 1 A 109 109 LYS CA C 109 57.792 58.968 -1.176 1
1 1403 . 1 1 1 A 109 109 LYS CB C 109 32.184 32.056 0.128 1
1 1407 . 1 1 1 A 109 109 LYS N N 109 115.080 118.700 -3.620 1
1 1408 . 1 1 1 A 110 110 LYS H H 110 7.364 7.606 -0.242 1
1 1409 . 1 1 1 A 110 110 LYS HA H 110 4.016 4.391 -0.375 1
1 1418 . 1 1 1 A 110 110 LYS C C 110 175.890 176.439 -0.549 1
1 1419 . 1 1 1 A 110 110 LYS CA C 110 56.550 57.024 -0.474 1
1 1420 . 1 1 1 A 110 110 LYS CB C 110 32.972 32.205 0.767 1
1 1424 . 1 1 1 A 110 110 LYS N N 110 116.720 114.179 2.541 1
1 1425 . 1 1 1 A 111 111 ILE H H 111 6.626 6.668 -0.042 1
1 1426 . 1 1 1 A 111 111 ILE HA H 111 3.531 4.006 -0.475 1
1 1436 . 1 1 1 A 111 111 ILE C C 111 176.180 175.789 0.391 1
1 1437 . 1 1 1 A 111 111 ILE CA C 111 59.950 61.144 -1.194 1
1 1438 . 1 1 1 A 111 111 ILE CB C 111 34.946 37.833 -2.887 1
1 1442 . 1 1 1 A 111 111 ILE N N 111 117.000 122.249 -5.249 1
1 1443 . 1 1 1 A 112 112 LYS H H 112 8.388 8.454 -0.066 1
1 1444 . 1 1 1 A 112 112 LYS HA H 112 4.356 4.667 -0.311 1
1 1453 . 1 1 1 A 112 112 LYS C C 112 175.750 177.039 -1.289 1
1 1454 . 1 1 1 A 112 112 LYS CA C 112 54.430 54.304 0.126 1
1 1455 . 1 1 1 A 112 112 LYS CB C 112 33.936 35.188 -1.252 1
1 1459 . 1 1 1 A 112 112 LYS N N 112 128.240 123.513 4.727 1
1 1460 . 1 1 1 A 113 113 ASP H H 113 8.103 8.761 -0.658 1
1 1461 . 1 1 1 A 113 113 ASP HA H 113 4.026 4.703 -0.677 1
1 1464 . 1 1 1 A 113 113 ASP C C 113 177.630 176.519 1.111 1
1 1465 . 1 1 1 A 113 113 ASP CA C 113 56.660 53.552 3.108 1
1 1466 . 1 1 1 A 113 113 ASP CB C 113 42.033 40.131 1.902 1
1 1467 . 1 1 1 A 113 113 ASP N N 113 119.040 121.728 -2.688 1
1 1468 . 1 1 1 A 114 114 GLY H H 114 8.635 7.504 1.131 1
1 1469 . 1 1 1 A 114 114 GLY HA2 H 114 3.547 4.086 -0.539 1
1 1470 . 1 1 1 A 114 114 GLY HA3 H 114 4.229 4.093 0.136 1
1 1471 . 1 1 1 A 114 114 GLY C C 114 174.640 174.685 -0.045 1
1 1472 . 1 1 1 A 114 114 GLY CA C 114 45.403 45.534 -0.131 1
1 1473 . 1 1 1 A 114 114 GLY N N 114 113.170 106.250 6.920 1
1 1474 . 1 1 1 A 115 115 GLU H H 115 7.346 8.152 -0.806 1
1 1475 . 1 1 1 A 115 115 GLU HA H 115 4.113 4.425 -0.312 1
1 1480 . 1 1 1 A 115 115 GLU C C 115 175.840 175.242 0.598 1
1 1481 . 1 1 1 A 115 115 GLU CA C 115 58.180 55.952 2.228 1
1 1482 . 1 1 1 A 115 115 GLU CB C 115 30.902 29.558 1.344 1
1 1484 . 1 1 1 A 115 115 GLU N N 115 119.440 118.293 1.147 1
1 1485 . 1 1 1 A 116 116 LYS H H 116 9.107 7.909 1.198 1
1 1486 . 1 1 1 A 116 116 LYS HA H 116 4.529 4.119 0.410 1
1 1495 . 1 1 1 A 116 116 LYS C C 116 176.050 175.115 0.935 1
1 1496 . 1 1 1 A 116 116 LYS CA C 116 56.820 56.863 -0.043 1
1 1497 . 1 1 1 A 116 116 LYS CB C 116 33.358 31.158 2.200 1
1 1501 . 1 1 1 A 116 116 LYS N N 116 121.800 115.929 5.871 1
1 1502 . 1 1 1 A 117 117 VAL H H 117 7.860 7.851 0.009 1
1 1503 . 1 1 1 A 117 117 VAL HA H 117 4.668 4.077 0.591 1
1 1511 . 1 1 1 A 117 117 VAL C C 117 171.630 174.767 -3.137 1
1 1512 . 1 1 1 A 117 117 VAL CA C 117 57.440 62.331 -4.891 1
1 1513 . 1 1 1 A 117 117 VAL CB C 117 34.614 32.277 2.337 1
1 1516 . 1 1 1 A 117 117 VAL N N 117 118.940 119.435 -0.495 1
1 1517 . 1 1 1 A 118 118 ALA H H 118 8.310 8.717 -0.407 1
1 1518 . 1 1 1 A 118 118 ALA HA H 118 4.506 4.743 -0.237 1
1 1522 . 1 1 1 A 118 118 ALA C C 118 174.660 176.077 -1.417 1
1 1523 . 1 1 1 A 118 118 ALA CA C 118 50.370 50.336 0.034 1
1 1524 . 1 1 1 A 118 118 ALA CB C 118 20.250 20.227 0.023 1
1 1525 . 1 1 1 A 118 118 ALA N N 118 130.190 130.225 -0.035 1
1 1526 . 1 1 1 A 119 119 VAL H H 119 8.295 8.587 -0.292 1
1 1527 . 1 1 1 A 119 119 VAL HA H 119 4.096 4.066 0.030 1
1 1535 . 1 1 1 A 119 119 VAL C C 119 175.320 175.270 0.050 1
1 1536 . 1 1 1 A 119 119 VAL CA C 119 61.570 62.535 -0.965 1
1 1537 . 1 1 1 A 119 119 VAL CB C 119 31.445 31.712 -0.267 1
1 1540 . 1 1 1 A 119 119 VAL N N 119 123.160 123.110 0.050 1
1 1541 . 1 1 1 A 120 120 ARG H H 120 8.596 9.051 -0.455 1
1 1542 . 1 1 1 A 120 120 ARG HA H 120 4.534 4.717 -0.183 1
1 1550 . 1 1 1 A 120 120 ARG C C 120 175.260 176.312 -1.052 1
1 1551 . 1 1 1 A 120 120 ARG CA C 120 53.740 53.651 0.089 1
1 1552 . 1 1 1 A 120 120 ARG CB C 120 34.359 33.815 0.544 1
1 1555 . 1 1 1 A 120 120 ARG N N 120 123.692 126.639 -2.947 1
1 1557 . 1 1 1 A 121 121 PHE H H 121 8.585 8.940 -0.355 1
1 1558 . 1 1 1 A 121 121 PHE HA H 121 4.591 4.390 0.201 1
1 1566 . 1 1 1 A 121 121 PHE C C 121 176.430 175.654 0.776 1
1 1567 . 1 1 1 A 121 121 PHE CA C 121 60.370 57.864 2.506 1
1 1568 . 1 1 1 A 121 121 PHE CB C 121 38.713 38.899 -0.186 1
1 1572 . 1 1 1 A 121 121 PHE N N 121 120.110 120.803 -0.693 1
1 1573 . 1 1 1 A 122 122 ALA H H 122 7.896 7.916 -0.020 1
1 1574 . 1 1 1 A 122 122 ALA HA H 122 4.304 4.010 0.294 1
1 1578 . 1 1 1 A 122 122 ALA C C 122 177.430 177.773 -0.343 1
1 1579 . 1 1 1 A 122 122 ALA CA C 122 52.050 54.291 -2.241 1
1 1580 . 1 1 1 A 122 122 ALA CB C 122 19.865 18.061 1.804 1
1 1581 . 1 1 1 A 122 122 ALA N N 122 123.820 121.244 2.576 1
1 1582 . 1 1 1 A 123 123 SER H H 123 8.675 8.727 -0.052 1
1 1583 . 1 1 1 A 123 123 SER HA H 123 4.372 4.244 0.128 1
1 1586 . 1 1 1 A 123 123 SER C C 123 173.630 173.865 -0.235 1
1 1587 . 1 1 1 A 123 123 SER CA C 123 58.750 59.420 -0.670 1
1 1588 . 1 1 1 A 123 123 SER CB C 123 63.870 61.217 2.653 1
1 1589 . 1 1 1 A 123 123 SER N N 123 117.330 114.413 2.917 1
1 14 . 2 1 1 A 2 2 ARG H H 2 9.247 8.628 0.619 1
1 15 . 2 1 1 A 2 2 ARG HA H 2 5.249 4.483 0.766 1
1 23 . 2 1 1 A 2 2 ARG C C 2 176.020 175.278 0.742 1
1 24 . 2 1 1 A 2 2 ARG CA C 2 56.360 57.055 -0.695 1
1 25 . 2 1 1 A 2 2 ARG CB C 2 31.953 31.543 0.410 1
1 28 . 2 1 1 A 2 2 ARG N N 2 129.420 126.397 3.023 1
1 30 . 2 1 1 A 3 3 VAL H H 3 9.361 8.204 1.157 1
1 31 . 2 1 1 A 3 3 VAL HA H 3 4.464 5.039 -0.575 1
1 39 . 2 1 1 A 3 3 VAL C C 3 173.160 173.802 -0.642 1
1 40 . 2 1 1 A 3 3 VAL CA C 3 61.330 60.208 1.122 1
1 41 . 2 1 1 A 3 3 VAL CB C 3 36.251 36.065 0.186 1
1 44 . 2 1 1 A 3 3 VAL N N 3 126.750 120.218 6.532 1
1 45 . 2 1 1 A 4 4 GLU H H 4 9.294 9.292 0.002 1
1 46 . 2 1 1 A 4 4 GLU HA H 4 4.807 5.185 -0.378 1
1 51 . 2 1 1 A 4 4 GLU C C 4 173.020 174.811 -1.791 1
1 52 . 2 1 1 A 4 4 GLU CA C 4 54.890 54.511 0.379 1
1 53 . 2 1 1 A 4 4 GLU CB C 4 33.146 33.413 -0.267 1
1 55 . 2 1 1 A 4 4 GLU N N 4 128.550 126.679 1.871 1
1 56 . 2 1 1 A 5 5 LEU H H 5 8.685 9.037 -0.352 1
1 57 . 2 1 1 A 5 5 LEU HA H 5 4.547 4.763 -0.216 1
1 67 . 2 1 1 A 5 5 LEU C C 5 173.750 174.340 -0.590 1
1 68 . 2 1 1 A 5 5 LEU CA C 5 52.450 53.219 -0.769 1
1 69 . 2 1 1 A 5 5 LEU CB C 5 41.998 42.941 -0.943 1
1 73 . 2 1 1 A 5 5 LEU N N 5 124.490 127.195 -2.705 1
1 74 . 2 1 1 A 6 6 LEU H H 6 8.608 8.404 0.204 1
1 75 . 2 1 1 A 6 6 LEU HA H 6 4.502 4.813 -0.311 1
1 85 . 2 1 1 A 6 6 LEU C C 6 176.550 173.869 2.681 1
1 86 . 2 1 1 A 6 6 LEU CA C 6 53.790 52.032 1.758 1
1 87 . 2 1 1 A 6 6 LEU CB C 6 42.240 45.853 -3.613 1
1 91 . 2 1 1 A 6 6 LEU N N 6 123.330 127.950 -4.620 1
1 92 . 2 1 1 A 7 7 PHE H H 7 8.344 8.837 -0.493 1
1 93 . 2 1 1 A 7 7 PHE HA H 7 5.378 4.740 0.638 1
1 101 . 2 1 1 A 7 7 PHE C C 7 175.050 176.122 -1.072 1
1 102 . 2 1 1 A 7 7 PHE CA C 7 55.830 56.482 -0.652 1
1 103 . 2 1 1 A 7 7 PHE CB C 7 39.383 43.493 -4.110 1
1 108 . 2 1 1 A 7 7 PHE N N 7 125.190 124.074 1.116 1
1 109 . 2 1 1 A 8 8 GLU H H 8 8.226 9.152 -0.926 1
1 110 . 2 1 1 A 8 8 GLU HA H 8 4.266 4.170 0.096 1
1 115 . 2 1 1 A 8 8 GLU C C 8 180.740 177.839 2.901 1
1 116 . 2 1 1 A 8 8 GLU CA C 8 59.530 59.266 0.264 1
1 117 . 2 1 1 A 8 8 GLU CB C 8 29.723 29.255 0.468 1
1 119 . 2 1 1 A 8 8 GLU N N 8 120.100 123.846 -3.746 1
1 120 . 2 1 1 A 9 9 SER H H 9 9.069 8.220 0.849 1
1 121 . 2 1 1 A 9 9 SER HA H 9 4.467 4.606 -0.139 1
1 124 . 2 1 1 A 9 9 SER C C 9 173.740 174.473 -0.733 1
1 125 . 2 1 1 A 9 9 SER CA C 9 58.600 58.990 -0.390 1
1 126 . 2 1 1 A 9 9 SER CB C 9 63.120 65.019 -1.899 1
1 127 . 2 1 1 A 9 9 SER N N 9 112.770 113.761 -0.991 1
1 128 . 2 1 1 A 10 10 GLY H H 10 6.925 7.619 -0.694 1
1 129 . 2 1 1 A 10 10 GLY HA2 H 10 3.896 4.123 -0.227 1
1 130 . 2 1 1 A 10 10 GLY HA3 H 10 3.896 4.162 -0.266 1
1 131 . 2 1 1 A 10 10 GLY C C 10 170.040 171.259 -1.219 1
1 132 . 2 1 1 A 10 10 GLY CA C 10 45.466 46.142 -0.676 1
1 133 . 2 1 1 A 10 10 GLY N N 10 105.760 105.924 -0.164 1
1 134 . 2 1 1 A 11 11 LYS H H 11 9.071 8.930 0.141 1
1 135 . 2 1 1 A 11 11 LYS HA H 11 5.484 4.887 0.597 1
1 144 . 2 1 1 A 11 11 LYS C C 11 174.230 174.316 -0.086 1
1 145 . 2 1 1 A 11 11 LYS CA C 11 55.460 55.032 0.428 1
1 146 . 2 1 1 A 11 11 LYS CB C 11 36.408 36.196 0.212 1
1 150 . 2 1 1 A 11 11 LYS N N 11 118.960 117.520 1.440 1
1 151 . 2 1 1 A 12 12 CYS H H 12 8.917 9.349 -0.432 1
1 152 . 2 1 1 A 12 12 CYS HA H 12 5.083 5.319 -0.236 1
1 155 . 2 1 1 A 12 12 CYS C C 12 171.760 172.221 -0.461 1
1 156 . 2 1 1 A 12 12 CYS CA C 12 56.770 56.458 0.312 1
1 157 . 2 1 1 A 12 12 CYS CB C 12 31.267 32.824 -1.557 1
1 158 . 2 1 1 A 12 12 CYS N N 12 115.700 118.855 -3.155 1
1 159 . 2 1 1 A 13 13 VAL H H 13 8.474 8.605 -0.131 1
1 160 . 2 1 1 A 13 13 VAL HA H 13 4.992 4.835 0.157 1
1 168 . 2 1 1 A 13 13 VAL C C 13 175.660 175.262 0.398 1
1 169 . 2 1 1 A 13 13 VAL CA C 13 61.490 61.088 0.402 1
1 170 . 2 1 1 A 13 13 VAL CB C 13 35.125 35.158 -0.033 1
1 173 . 2 1 1 A 13 13 VAL N N 13 120.490 119.673 0.817 1
1 174 . 2 1 1 A 14 14 ILE H H 14 9.378 9.193 0.185 1
1 175 . 2 1 1 A 14 14 ILE HA H 14 5.335 5.369 -0.034 1
1 185 . 2 1 1 A 14 14 ILE C C 14 172.570 173.928 -1.358 1
1 186 . 2 1 1 A 14 14 ILE CA C 14 58.540 59.166 -0.626 1
1 187 . 2 1 1 A 14 14 ILE CB C 14 40.755 40.952 -0.197 1
1 191 . 2 1 1 A 14 14 ILE N N 14 120.140 123.642 -3.502 1
1 192 . 2 1 1 A 15 15 ASP H H 15 9.295 8.996 0.299 1
1 193 . 2 1 1 A 15 15 ASP HA H 15 5.274 5.369 -0.095 1
1 196 . 2 1 1 A 15 15 ASP C C 15 176.510 174.834 1.676 1
1 197 . 2 1 1 A 15 15 ASP CA C 15 53.050 53.170 -0.120 1
1 198 . 2 1 1 A 15 15 ASP CB C 15 44.007 43.354 0.653 1
1 199 . 2 1 1 A 15 15 ASP N N 15 123.200 125.949 -2.749 1
1 200 . 2 1 1 A 16 16 LEU H H 16 8.892 8.924 -0.032 1
1 201 . 2 1 1 A 16 16 LEU HA H 16 4.981 5.033 -0.052 1
1 211 . 2 1 1 A 16 16 LEU C C 16 175.430 176.168 -0.738 1
1 212 . 2 1 1 A 16 16 LEU CA C 16 53.040 53.561 -0.521 1
1 213 . 2 1 1 A 16 16 LEU CB C 16 45.782 45.406 0.376 1
1 217 . 2 1 1 A 16 16 LEU N N 16 123.620 126.220 -2.600 1
1 218 . 2 1 1 A 17 17 ASN H H 17 8.694 8.888 -0.194 1
1 219 . 2 1 1 A 17 17 ASN HA H 17 4.632 4.749 -0.117 1
1 224 . 2 1 1 A 17 17 ASN C C 17 175.500 176.085 -0.585 1
1 225 . 2 1 1 A 17 17 ASN CA C 17 53.310 53.612 -0.302 1
1 226 . 2 1 1 A 17 17 ASN CB C 17 38.508 39.672 -1.164 1
1 227 . 2 1 1 A 17 17 ASN N N 17 121.330 123.387 -2.057 1
1 229 . 2 1 1 A 18 18 GLU H H 18 8.793 9.124 -0.331 1
1 230 . 2 1 1 A 18 18 GLU HA H 18 3.736 4.493 -0.757 1
1 235 . 2 1 1 A 18 18 GLU C C 18 175.250 176.413 -1.163 1
1 236 . 2 1 1 A 18 18 GLU CA C 18 58.330 56.198 2.132 1
1 237 . 2 1 1 A 18 18 GLU CB C 18 29.947 29.275 0.672 1
1 239 . 2 1 1 A 18 18 GLU N N 18 124.750 126.061 -1.311 1
1 240 . 2 1 1 A 19 19 GLU H H 19 8.187 7.547 0.640 1
1 241 . 2 1 1 A 19 19 GLU HA H 19 3.885 4.395 -0.510 1
1 246 . 2 1 1 A 19 19 GLU C C 19 177.350 173.970 3.380 1
1 247 . 2 1 1 A 19 19 GLU CA C 19 57.730 55.492 2.238 1
1 248 . 2 1 1 A 19 19 GLU CB C 19 29.744 30.191 -0.447 1
1 250 . 2 1 1 A 19 19 GLU N N 19 117.280 118.905 -1.625 1
1 251 . 2 1 1 A 20 20 TYR H H 20 7.135 7.445 -0.310 1
1 252 . 2 1 1 A 20 20 TYR HA H 20 4.668 4.935 -0.267 1
1 259 . 2 1 1 A 20 20 TYR CA C 20 56.050 56.165 -0.115 1
1 260 . 2 1 1 A 20 20 TYR CB C 20 38.464 41.309 -2.845 1
1 263 . 2 1 1 A 20 20 TYR N N 20 117.730 119.645 -1.915 1
1 264 . 2 1 1 A 21 21 GLU H H 21 10.044 9.015 1.029 1
1 265 . 2 1 1 A 21 21 GLU HA H 21 3.807 3.924 -0.117 1
1 270 . 2 1 1 A 21 21 GLU C C 21 179.150 178.323 0.827 1
1 271 . 2 1 1 A 21 21 GLU CA C 21 60.640 60.133 0.507 1
1 272 . 2 1 1 A 21 21 GLU CB C 21 29.167 29.756 -0.589 1
1 274 . 2 1 1 A 21 21 GLU N N 21 129.480 124.810 4.670 1
1 275 . 2 1 1 A 22 22 VAL H H 22 9.539 8.251 1.288 1
1 276 . 2 1 1 A 22 22 VAL HA H 22 3.574 3.655 -0.081 1
1 284 . 2 1 1 A 22 22 VAL C C 22 175.490 177.633 -2.143 1
1 285 . 2 1 1 A 22 22 VAL CA C 22 64.470 65.345 -0.875 1
1 286 . 2 1 1 A 22 22 VAL CB C 22 30.858 30.859 -0.001 1
1 289 . 2 1 1 A 22 22 VAL N N 22 115.360 118.722 -3.362 1
1 290 . 2 1 1 A 23 23 VAL H H 23 6.843 7.870 -1.027 1
1 291 . 2 1 1 A 23 23 VAL HA H 23 3.387 3.596 -0.209 1
1 299 . 2 1 1 A 23 23 VAL C C 23 176.900 178.135 -1.235 1
1 300 . 2 1 1 A 23 23 VAL CA C 23 67.030 66.710 0.320 1
1 301 . 2 1 1 A 23 23 VAL CB C 23 31.499 31.567 -0.068 1
1 304 . 2 1 1 A 23 23 VAL N N 23 121.150 121.691 -0.541 1
1 305 . 2 1 1 A 24 24 LYS H H 24 7.533 7.706 -0.173 1
1 306 . 2 1 1 A 24 24 LYS HA H 24 3.851 3.953 -0.102 1
1 315 . 2 1 1 A 24 24 LYS C C 24 179.820 179.646 0.174 1
1 316 . 2 1 1 A 24 24 LYS CA C 24 60.480 59.553 0.927 1
1 317 . 2 1 1 A 24 24 LYS CB C 24 32.626 32.335 0.291 1
1 321 . 2 1 1 A 24 24 LYS N N 24 120.120 119.226 0.894 1
1 322 . 2 1 1 A 25 25 LEU H H 25 7.870 7.988 -0.118 1
1 323 . 2 1 1 A 25 25 LEU HA H 25 4.097 4.062 0.035 1
1 333 . 2 1 1 A 25 25 LEU C C 25 180.620 179.309 1.311 1
1 334 . 2 1 1 A 25 25 LEU CA C 25 57.440 57.780 -0.340 1
1 335 . 2 1 1 A 25 25 LEU CB C 25 41.717 41.486 0.231 1
1 339 . 2 1 1 A 25 25 LEU N N 25 117.260 120.214 -2.954 1
1 340 . 2 1 1 A 26 26 LEU H H 26 8.489 8.344 0.145 1
1 341 . 2 1 1 A 26 26 LEU HA H 26 3.703 3.907 -0.204 1
1 351 . 2 1 1 A 26 26 LEU C C 26 178.820 179.207 -0.387 1
1 352 . 2 1 1 A 26 26 LEU CA C 26 58.310 57.333 0.977 1
1 353 . 2 1 1 A 26 26 LEU CB C 26 42.487 41.545 0.942 1
1 357 . 2 1 1 A 26 26 LEU N N 26 121.760 118.970 2.790 1
1 358 . 2 1 1 A 27 27 LYS H H 27 8.190 8.203 -0.013 1
1 359 . 2 1 1 A 27 27 LYS HA H 27 3.799 4.267 -0.468 1
1 368 . 2 1 1 A 27 27 LYS C C 27 177.470 178.626 -1.156 1
1 369 . 2 1 1 A 27 27 LYS CA C 27 60.480 59.401 1.079 1
1 370 . 2 1 1 A 27 27 LYS CB C 27 33.472 32.258 1.214 1
1 374 . 2 1 1 A 27 27 LYS N N 27 117.650 120.897 -3.247 1
1 375 . 2 1 1 A 28 28 GLU H H 28 6.841 8.228 -1.387 1
1 376 . 2 1 1 A 28 28 GLU HA H 28 4.238 4.173 0.065 1
1 381 . 2 1 1 A 28 28 GLU C C 28 177.280 178.553 -1.273 1
1 382 . 2 1 1 A 28 28 GLU CA C 28 57.370 58.902 -1.532 1
1 383 . 2 1 1 A 28 28 GLU CB C 28 30.480 29.532 0.948 1
1 385 . 2 1 1 A 28 28 GLU N N 28 111.940 118.503 -6.563 1
1 386 . 2 1 1 A 29 29 LYS H H 29 7.577 7.348 0.229 1
1 387 . 2 1 1 A 29 29 LYS HA H 29 4.414 4.305 0.109 1
1 396 . 2 1 1 A 29 29 LYS C C 29 175.230 175.205 0.025 1
1 397 . 2 1 1 A 29 29 LYS CA C 29 53.800 56.216 -2.416 1
1 398 . 2 1 1 A 29 29 LYS CB C 29 33.530 32.577 0.953 1
1 402 . 2 1 1 A 29 29 LYS N N 29 115.460 116.333 -0.873 1
1 403 . 2 1 1 A 30 30 ILE H H 30 6.921 7.497 -0.576 1
1 404 . 2 1 1 A 30 30 ILE HA H 30 3.939 4.601 -0.662 1
1 414 . 2 1 1 A 30 30 ILE CA C 30 60.290 57.253 3.037 1
1 415 . 2 1 1 A 30 30 ILE CB C 30 39.967 41.075 -1.108 1
1 419 . 2 1 1 A 30 30 ILE N N 30 122.100 120.100 2.000 1
1 420 . 2 1 1 A 31 31 PRO HA H 31 4.840 4.994 -0.154 1
1 427 . 2 1 1 A 31 31 PRO C C 31 175.340 176.712 -1.372 1
1 428 . 2 1 1 A 31 31 PRO CA C 31 62.720 62.329 0.391 1
1 429 . 2 1 1 A 31 31 PRO CB C 31 36.350 33.065 3.285 1
1 432 . 2 1 1 A 32 32 PHE H H 32 7.627 8.975 -1.348 1
1 433 . 2 1 1 A 32 32 PHE HA H 32 4.959 5.242 -0.283 1
1 441 . 2 1 1 A 32 32 PHE C C 32 171.870 172.467 -0.597 1
1 442 . 2 1 1 A 32 32 PHE CA C 32 56.300 55.811 0.489 1
1 443 . 2 1 1 A 32 32 PHE CB C 32 40.253 42.591 -2.338 1
1 447 . 2 1 1 A 32 32 PHE N N 32 112.880 118.176 -5.296 1
1 448 . 2 1 1 A 33 33 GLU H H 33 8.728 8.816 -0.088 1
1 449 . 2 1 1 A 33 33 GLU HA H 33 5.309 4.973 0.336 1
1 454 . 2 1 1 A 33 33 GLU C C 33 175.630 174.958 0.672 1
1 455 . 2 1 1 A 33 33 GLU CA C 33 54.450 54.585 -0.135 1
1 456 . 2 1 1 A 33 33 GLU CB C 33 33.814 33.467 0.347 1
1 458 . 2 1 1 A 33 33 GLU N N 33 118.710 119.245 -0.535 1
1 459 . 2 1 1 A 34 34 SER H H 34 8.964 8.653 0.311 1
1 460 . 2 1 1 A 34 34 SER HA H 34 4.803 4.947 -0.144 1
1 463 . 2 1 1 A 34 34 SER C C 34 174.560 173.292 1.268 1
1 464 . 2 1 1 A 34 34 SER CA C 34 55.830 56.917 -1.087 1
1 465 . 2 1 1 A 34 34 SER CB C 34 64.270 65.839 -1.569 1
1 466 . 2 1 1 A 34 34 SER N N 34 115.150 115.772 -0.622 1
1 467 . 2 1 1 A 35 35 VAL H H 35 8.322 8.868 -0.546 1
1 468 . 2 1 1 A 35 35 VAL HA H 35 4.724 4.055 0.669 1
1 476 . 2 1 1 A 35 35 VAL C C 35 174.950 175.728 -0.778 1
1 477 . 2 1 1 A 35 35 VAL CA C 35 61.350 63.235 -1.885 1
1 478 . 2 1 1 A 35 35 VAL CB C 35 35.676 31.830 3.846 1
1 481 . 2 1 1 A 35 35 VAL N N 35 121.700 123.947 -2.247 1
1 482 . 2 1 1 A 36 36 VAL H H 36 9.200 8.718 0.482 1
1 483 . 2 1 1 A 36 36 VAL HA H 36 3.999 4.330 -0.331 1
1 491 . 2 1 1 A 36 36 VAL C C 36 175.490 175.098 0.392 1
1 492 . 2 1 1 A 36 36 VAL CA C 36 63.900 62.476 1.424 1
1 493 . 2 1 1 A 36 36 VAL CB C 36 33.593 30.253 3.340 1
1 496 . 2 1 1 A 36 36 VAL N N 36 123.870 128.288 -4.418 1
1 497 . 2 1 1 A 37 37 ASN H H 37 8.739 8.083 0.656 1
1 498 . 2 1 1 A 37 37 ASN HA H 37 5.276 4.631 0.645 1
1 503 . 2 1 1 A 37 37 ASN C C 37 174.040 175.177 -1.137 1
1 504 . 2 1 1 A 37 37 ASN CA C 37 51.960 53.843 -1.883 1
1 505 . 2 1 1 A 37 37 ASN CB C 37 41.996 38.508 3.488 1
1 506 . 2 1 1 A 37 37 ASN N N 37 123.895 124.845 -0.950 1
1 508 . 2 1 1 A 38 38 THR H H 38 8.703 8.771 -0.068 1
1 509 . 2 1 1 A 38 38 THR HA H 38 5.323 5.283 0.040 1
1 514 . 2 1 1 A 38 38 THR C C 38 174.910 173.430 1.480 1
1 515 . 2 1 1 A 38 38 THR CA C 38 59.740 59.809 -0.069 1
1 516 . 2 1 1 A 38 38 THR CB C 38 71.332 72.629 -1.297 1
1 518 . 2 1 1 A 38 38 THR N N 38 111.440 111.426 0.014 1
1 519 . 2 1 1 A 39 39 TRP H H 39 8.489 9.048 -0.559 1
1 520 . 2 1 1 A 39 39 TRP HA H 39 4.838 4.967 -0.129 1
1 529 . 2 1 1 A 39 39 TRP C C 39 175.270 175.818 -0.548 1
1 530 . 2 1 1 A 39 39 TRP CA C 39 57.040 57.025 0.015 1
1 531 . 2 1 1 A 39 39 TRP CB C 39 29.089 31.331 -2.242 1
1 537 . 2 1 1 A 39 39 TRP N N 39 125.321 122.963 2.358 1
1 539 . 2 1 1 A 40 40 GLY H H 40 8.596 9.502 -0.906 1
1 540 . 2 1 1 A 40 40 GLY HA2 H 40 3.528 3.468 0.060 1
1 541 . 2 1 1 A 40 40 GLY HA3 H 40 3.465 3.657 -0.192 1
1 542 . 2 1 1 A 40 40 GLY CA C 40 47.619 46.843 0.776 1
1 543 . 2 1 1 A 40 40 GLY N N 40 113.220 115.768 -2.548 1
1 544 . 2 1 1 A 41 41 GLU H H 41 7.870 8.371 -0.501 1
1 545 . 2 1 1 A 41 41 GLU HA H 41 3.717 3.368 0.349 1
1 550 . 2 1 1 A 41 41 GLU C C 41 171.810 174.152 -2.342 1
1 551 . 2 1 1 A 41 41 GLU CA C 41 55.390 57.475 -2.085 1
1 552 . 2 1 1 A 41 41 GLU CB C 41 26.025 27.456 -1.431 1
1 554 . 2 1 1 A 41 41 GLU N N 41 128.227 110.525 17.702 1
1 555 . 2 1 1 A 42 42 GLU H H 42 7.158 7.581 -0.423 1
1 556 . 2 1 1 A 42 42 GLU HA H 42 4.811 4.945 -0.134 1
1 561 . 2 1 1 A 42 42 GLU C C 42 175.680 174.641 1.039 1
1 562 . 2 1 1 A 42 42 GLU CA C 42 53.860 54.792 -0.932 1
1 563 . 2 1 1 A 42 42 GLU CB C 42 31.149 33.174 -2.025 1
1 565 . 2 1 1 A 42 42 GLU N N 42 116.880 117.162 -0.282 1
1 566 . 2 1 1 A 43 43 ILE H H 43 8.226 8.315 -0.089 1
1 567 . 2 1 1 A 43 43 ILE HA H 43 4.934 5.206 -0.272 1
1 577 . 2 1 1 A 43 43 ILE C C 43 174.420 174.205 0.215 1
1 578 . 2 1 1 A 43 43 ILE CA C 43 59.250 60.032 -0.782 1
1 579 . 2 1 1 A 43 43 ILE CB C 43 43.278 40.792 2.486 1
1 583 . 2 1 1 A 43 43 ILE N N 43 125.120 124.640 0.480 1
1 584 . 2 1 1 A 44 44 TYR H H 44 9.318 8.909 0.409 1
1 585 . 2 1 1 A 44 44 TYR HA H 44 6.008 5.164 0.844 1
1 592 . 2 1 1 A 44 44 TYR C C 44 174.150 173.114 1.036 1
1 593 . 2 1 1 A 44 44 TYR CA C 44 55.740 55.639 0.101 1
1 594 . 2 1 1 A 44 44 TYR CB C 44 42.606 41.495 1.111 1
1 597 . 2 1 1 A 44 44 TYR N N 44 124.370 122.666 1.704 1
1 598 . 2 1 1 A 45 45 PHE H H 45 8.211 8.622 -0.411 1
1 599 . 2 1 1 A 45 45 PHE HA H 45 5.088 5.222 -0.134 1
1 607 . 2 1 1 A 45 45 PHE C C 45 173.730 173.359 0.371 1
1 608 . 2 1 1 A 45 45 PHE CA C 45 55.140 56.218 -1.078 1
1 609 . 2 1 1 A 45 45 PHE CB C 45 40.793 41.590 -0.797 1
1 613 . 2 1 1 A 45 45 PHE N N 45 114.110 116.774 -2.664 1
1 614 . 2 1 1 A 46 46 SER H H 46 9.523 8.767 0.756 1
1 615 . 2 1 1 A 46 46 SER HA H 46 4.316 4.979 -0.663 1
1 618 . 2 1 1 A 46 46 SER C C 46 174.360 174.162 0.198 1
1 619 . 2 1 1 A 46 46 SER CA C 46 59.960 58.046 1.914 1
1 620 . 2 1 1 A 46 46 SER CB C 46 63.980 62.911 1.069 1
1 621 . 2 1 1 A 46 46 SER N N 46 117.150 114.547 2.603 1
1 622 . 2 1 1 A 47 47 THR H H 47 8.225 8.339 -0.114 1
1 623 . 2 1 1 A 47 47 THR HA H 47 4.971 4.850 0.121 1
1 628 . 2 1 1 A 47 47 THR CA C 47 59.160 60.554 -1.394 1
1 629 . 2 1 1 A 47 47 THR CB C 47 70.385 68.877 1.508 1
1 631 . 2 1 1 A 47 47 THR N N 47 113.910 116.966 -3.056 1
1 632 . 2 1 1 A 48 48 PRO HA H 48 4.585 4.455 0.130 1
1 639 . 2 1 1 A 48 48 PRO C C 48 175.940 175.986 -0.046 1
1 640 . 2 1 1 A 48 48 PRO CA C 48 62.410 63.574 -1.164 1
1 641 . 2 1 1 A 48 48 PRO CB C 48 31.770 31.974 -0.204 1
1 644 . 2 1 1 A 49 49 VAL H H 49 7.458 7.714 -0.256 1
1 645 . 2 1 1 A 49 49 VAL HA H 49 4.178 4.276 -0.098 1
1 653 . 2 1 1 A 49 49 VAL C C 49 174.070 176.505 -2.435 1
1 654 . 2 1 1 A 49 49 VAL CA C 49 60.840 61.435 -0.595 1
1 655 . 2 1 1 A 49 49 VAL CB C 49 34.134 33.795 0.339 1
1 658 . 2 1 1 A 49 49 VAL N N 49 114.800 120.252 -5.452 1
1 659 . 2 1 1 A 50 50 ASN H H 50 8.897 8.629 0.268 1
1 660 . 2 1 1 A 50 50 ASN HA H 50 4.684 5.151 -0.467 1
1 665 . 2 1 1 A 50 50 ASN C C 50 173.550 175.712 -2.162 1
1 666 . 2 1 1 A 50 50 ASN CA C 50 51.610 52.173 -0.563 1
1 667 . 2 1 1 A 50 50 ASN CB C 50 39.730 39.020 0.710 1
1 668 . 2 1 1 A 50 50 ASN N N 50 126.400 118.719 7.681 1
1 670 . 2 1 1 A 51 51 VAL H H 51 7.587 7.404 0.183 1
1 671 . 2 1 1 A 51 51 VAL HA H 51 4.148 3.997 0.151 1
1 679 . 2 1 1 A 51 51 VAL C C 51 174.350 176.107 -1.757 1
1 680 . 2 1 1 A 51 51 VAL CA C 51 61.280 63.375 -2.095 1
1 681 . 2 1 1 A 51 51 VAL CB C 51 35.206 31.751 3.455 1
1 684 . 2 1 1 A 51 51 VAL N N 51 122.670 121.723 0.947 1
1 685 . 2 1 1 A 52 52 GLN H H 52 8.337 8.853 -0.516 1
1 686 . 2 1 1 A 52 52 GLN HA H 52 4.094 4.483 -0.389 1
1 693 . 2 1 1 A 52 52 GLN C C 52 176.240 175.966 0.274 1
1 694 . 2 1 1 A 52 52 GLN CA C 52 56.560 55.587 0.973 1
1 695 . 2 1 1 A 52 52 GLN CB C 52 29.745 29.127 0.618 1
1 697 . 2 1 1 A 52 52 GLN N N 52 122.670 126.532 -3.862 1
1 699 . 2 1 1 A 53 53 LYS H H 53 7.363 7.616 -0.253 1
1 700 . 2 1 1 A 53 53 LYS HA H 53 3.994 4.419 -0.425 1
1 709 . 2 1 1 A 53 53 LYS C C 53 176.010 175.352 0.658 1
1 710 . 2 1 1 A 53 53 LYS CA C 53 56.960 55.852 1.108 1
1 711 . 2 1 1 A 53 53 LYS CB C 53 33.000 32.778 0.222 1
1 715 . 2 1 1 A 53 53 LYS N N 53 119.940 122.346 -2.406 1
1 716 . 2 1 1 A 54 54 MET H H 54 8.797 8.696 0.101 1
1 717 . 2 1 1 A 54 54 MET HA H 54 4.449 4.750 -0.301 1
1 725 . 2 1 1 A 54 54 MET C C 54 174.630 175.917 -1.287 1
1 726 . 2 1 1 A 54 54 MET CA C 54 54.530 54.756 -0.226 1
1 727 . 2 1 1 A 54 54 MET CB C 54 36.912 33.561 3.351 1
1 730 . 2 1 1 A 54 54 MET N N 54 124.720 124.660 0.060 1
1 731 . 2 1 1 A 55 55 GLU H H 55 9.773 8.685 1.088 1
1 732 . 2 1 1 A 55 55 GLU HA H 55 4.029 4.548 -0.519 1
1 737 . 2 1 1 A 55 55 GLU C C 55 176.930 176.726 0.204 1
1 738 . 2 1 1 A 55 55 GLU CA C 55 59.910 57.605 2.305 1
1 739 . 2 1 1 A 55 55 GLU CB C 55 29.611 31.828 -2.217 1
1 741 . 2 1 1 A 55 55 GLU N N 55 124.250 122.258 1.992 1
1 742 . 2 1 1 A 56 56 ASN H H 56 8.371 7.785 0.586 1
1 743 . 2 1 1 A 56 56 ASN HA H 56 5.163 5.142 0.021 1
1 748 . 2 1 1 A 56 56 ASN CA C 56 50.680 50.626 0.054 1
1 749 . 2 1 1 A 56 56 ASN CB C 56 39.563 39.037 0.526 1
1 750 . 2 1 1 A 56 56 ASN N N 56 115.600 119.263 -3.663 1
1 752 . 2 1 1 A 57 57 PRO HA H 57 4.854 4.727 0.127 1
1 759 . 2 1 1 A 57 57 PRO C C 57 178.760 175.869 2.891 1
1 760 . 2 1 1 A 57 57 PRO CA C 57 62.630 62.654 -0.024 1
1 761 . 2 1 1 A 57 57 PRO CB C 57 32.197 32.596 -0.399 1
1 764 . 2 1 1 A 58 58 ARG H H 58 9.448 8.773 0.675 1
1 765 . 2 1 1 A 58 58 ARG HA H 58 4.636 4.843 -0.207 1
1 773 . 2 1 1 A 58 58 ARG C C 58 175.430 175.570 -0.140 1
1 774 . 2 1 1 A 58 58 ARG CA C 58 54.210 54.274 -0.064 1
1 775 . 2 1 1 A 58 58 ARG CB C 58 34.208 34.473 -0.265 1
1 778 . 2 1 1 A 58 58 ARG N N 58 122.690 121.149 1.541 1
1 780 . 2 1 1 A 59 59 GLU H H 59 8.694 8.809 -0.115 1
1 781 . 2 1 1 A 59 59 GLU HA H 59 4.096 4.634 -0.538 1
1 786 . 2 1 1 A 59 59 GLU C C 59 175.210 175.565 -0.355 1
1 787 . 2 1 1 A 59 59 GLU CA C 59 56.470 56.092 0.378 1
1 788 . 2 1 1 A 59 59 GLU CB C 59 31.074 31.084 -0.010 1
1 790 . 2 1 1 A 59 59 GLU N N 59 119.520 118.773 0.747 1
1 791 . 2 1 1 A 60 60 VAL H H 60 7.296 7.561 -0.265 1
1 792 . 2 1 1 A 60 60 VAL HA H 60 4.471 4.791 -0.320 1
1 800 . 2 1 1 A 60 60 VAL C C 60 174.900 174.836 0.064 1
1 801 . 2 1 1 A 60 60 VAL CA C 60 61.058 60.243 0.815 1
1 802 . 2 1 1 A 60 60 VAL CB C 60 35.056 35.950 -0.894 1
1 805 . 2 1 1 A 60 60 VAL N N 60 117.380 119.631 -2.251 1
1 806 . 2 1 1 A 61 61 VAL H H 61 8.064 8.456 -0.392 1
1 807 . 2 1 1 A 61 61 VAL HA H 61 4.540 4.914 -0.374 1
1 815 . 2 1 1 A 61 61 VAL C C 61 172.880 174.504 -1.624 1
1 816 . 2 1 1 A 61 61 VAL CA C 61 58.820 58.908 -0.088 1
1 817 . 2 1 1 A 61 61 VAL CB C 61 33.464 35.994 -2.530 1
1 820 . 2 1 1 A 61 61 VAL N N 61 117.630 119.792 -2.162 1
1 821 . 2 1 1 A 62 62 GLU H H 62 8.620 8.770 -0.150 1
1 822 . 2 1 1 A 62 62 GLU HA H 62 4.543 4.641 -0.098 1
1 827 . 2 1 1 A 62 62 GLU C C 62 176.350 176.247 0.103 1
1 828 . 2 1 1 A 62 62 GLU CA C 62 53.640 54.835 -1.195 1
1 829 . 2 1 1 A 62 62 GLU CB C 62 32.360 31.969 0.391 1
1 831 . 2 1 1 A 62 62 GLU N N 62 118.060 120.059 -1.999 1
1 832 . 2 1 1 A 63 63 ILE H H 63 8.520 8.545 -0.025 1
1 833 . 2 1 1 A 63 63 ILE HA H 63 3.275 4.487 -1.212 1
1 843 . 2 1 1 A 63 63 ILE C C 63 177.940 175.783 2.157 1
1 844 . 2 1 1 A 63 63 ILE CA C 63 64.410 60.742 3.668 1
1 845 . 2 1 1 A 63 63 ILE CB C 63 37.674 37.804 -0.130 1
1 849 . 2 1 1 A 63 63 ILE N N 63 120.310 121.985 -1.675 1
1 850 . 2 1 1 A 64 64 GLY H H 64 9.091 7.509 1.582 1
1 851 . 2 1 1 A 64 64 GLY HA2 H 64 3.563 4.220 -0.657 1
1 852 . 2 1 1 A 64 64 GLY HA3 H 64 4.774 4.264 0.510 1
1 853 . 2 1 1 A 64 64 GLY C C 64 173.290 173.779 -0.489 1
1 854 . 2 1 1 A 64 64 GLY CA C 64 45.359 45.506 -0.147 1
1 855 . 2 1 1 A 64 64 GLY N N 64 116.340 110.318 6.022 1
1 856 . 2 1 1 A 65 65 ASP H H 65 8.335 8.215 0.120 1
1 857 . 2 1 1 A 65 65 ASP HA H 65 4.914 5.228 -0.314 1
1 860 . 2 1 1 A 65 65 ASP C C 65 175.180 174.953 0.227 1
1 861 . 2 1 1 A 65 65 ASP CA C 65 56.630 53.514 3.116 1
1 862 . 2 1 1 A 65 65 ASP CB C 65 41.980 43.616 -1.636 1
1 863 . 2 1 1 A 65 65 ASP N N 65 121.610 120.081 1.529 1
1 864 . 2 1 1 A 66 66 VAL H H 66 7.580 8.526 -0.946 1
1 865 . 2 1 1 A 66 66 VAL HA H 66 5.085 4.951 0.134 1
1 873 . 2 1 1 A 66 66 VAL C C 66 176.170 174.856 1.314 1
1 874 . 2 1 1 A 66 66 VAL CA C 66 60.240 60.895 -0.655 1
1 875 . 2 1 1 A 66 66 VAL CB C 66 33.783 35.718 -1.935 1
1 878 . 2 1 1 A 66 66 VAL N N 66 117.330 119.749 -2.419 1
1 879 . 2 1 1 A 67 67 GLY H H 67 9.592 8.539 1.053 1
1 880 . 2 1 1 A 67 67 GLY HA2 H 67 5.899 4.412 1.487 1
1 881 . 2 1 1 A 67 67 GLY HA3 H 67 3.200 4.493 -1.293 1
1 882 . 2 1 1 A 67 67 GLY C C 67 171.740 171.719 0.021 1
1 883 . 2 1 1 A 67 67 GLY CA C 67 43.580 44.165 -0.585 1
1 884 . 2 1 1 A 67 67 GLY N N 67 111.440 115.181 -3.741 1
1 885 . 2 1 1 A 68 68 TYR H H 68 9.146 9.021 0.125 1
1 886 . 2 1 1 A 68 68 TYR HA H 68 5.809 4.850 0.959 1
1 889 . 2 1 1 A 68 68 TYR C C 68 173.860 174.400 -0.540 1
1 890 . 2 1 1 A 68 68 TYR CA C 68 55.900 57.817 -1.917 1
1 891 . 2 1 1 A 68 68 TYR CB C 68 42.170 40.130 2.040 1
1 892 . 2 1 1 A 68 68 TYR N N 68 119.980 122.859 -2.879 1
1 893 . 2 1 1 A 69 69 TRP H H 69 9.213 8.260 0.953 1
1 894 . 2 1 1 A 69 69 TRP HA H 69 5.268 4.974 0.294 1
1 902 . 2 1 1 A 69 69 TRP CA C 69 53.390 54.987 -1.597 1
1 903 . 2 1 1 A 69 69 TRP CB C 69 30.442 29.721 0.721 1
1 908 . 2 1 1 A 69 69 TRP N N 69 132.150 129.381 2.769 1
1 910 . 2 1 1 A 70 70 PRO HA H 70 3.923 4.120 -0.197 1
1 917 . 2 1 1 A 70 70 PRO CA C 70 66.753 64.946 1.807 1
1 918 . 2 1 1 A 70 70 PRO CB C 70 30.054 31.983 -1.929 1
1 921 . 2 1 1 A 71 71 PRO HA H 71 3.716 4.130 -0.414 1
1 928 . 2 1 1 A 71 71 PRO CA C 71 65.803 64.726 1.077 1
1 929 . 2 1 1 A 71 71 PRO CB C 71 30.620 31.084 -0.464 1
1 932 . 2 1 1 A 72 72 GLY HA2 H 72 3.168 3.799 -0.631 1
1 933 . 2 1 1 A 72 72 GLY HA3 H 72 4.271 3.859 0.412 1
1 934 . 2 1 1 A 72 72 GLY C C 72 173.220 173.201 0.019 1
1 935 . 2 1 1 A 72 72 GLY CA C 72 44.350 44.904 -0.554 1
1 936 . 2 1 1 A 73 73 LYS H H 73 7.989 7.466 0.523 1
1 937 . 2 1 1 A 73 73 LYS HA H 73 3.566 3.690 -0.124 1
1 946 . 2 1 1 A 73 73 LYS C C 73 177.420 174.891 2.529 1
1 947 . 2 1 1 A 73 73 LYS CA C 73 57.790 57.116 0.674 1
1 948 . 2 1 1 A 73 73 LYS CB C 73 29.398 29.755 -0.357 1
1 952 . 2 1 1 A 73 73 LYS N N 73 121.515 114.887 6.628 1
1 953 . 2 1 1 A 74 74 ALA H H 74 6.969 7.415 -0.446 1
1 954 . 2 1 1 A 74 74 ALA HA H 74 5.123 5.308 -0.185 1
1 958 . 2 1 1 A 74 74 ALA C C 74 177.490 175.269 2.221 1
1 959 . 2 1 1 A 74 74 ALA CA C 74 51.900 50.437 1.463 1
1 960 . 2 1 1 A 74 74 ALA CB C 74 23.090 23.120 -0.030 1
1 961 . 2 1 1 A 74 74 ALA N N 74 118.780 118.624 0.156 1
1 962 . 2 1 1 A 75 75 LEU H H 75 8.032 8.001 0.031 1
1 963 . 2 1 1 A 75 75 LEU HA H 75 4.844 4.595 0.249 1
1 973 . 2 1 1 A 75 75 LEU C C 75 175.540 174.901 0.639 1
1 974 . 2 1 1 A 75 75 LEU CA C 75 54.000 53.028 0.972 1
1 975 . 2 1 1 A 75 75 LEU CB C 75 43.858 43.705 0.153 1
1 979 . 2 1 1 A 75 75 LEU N N 75 122.780 118.986 3.794 1
1 980 . 2 1 1 A 76 76 CYS H H 76 8.813 8.322 0.491 1
1 981 . 2 1 1 A 76 76 CYS HA H 76 5.178 4.961 0.217 1
1 984 . 2 1 1 A 76 76 CYS C C 76 173.080 172.397 0.683 1
1 985 . 2 1 1 A 76 76 CYS CA C 76 55.850 58.165 -2.315 1
1 986 . 2 1 1 A 76 76 CYS CB C 76 31.922 31.518 0.404 1
1 987 . 2 1 1 A 76 76 CYS N N 76 117.950 119.699 -1.749 1
1 988 . 2 1 1 A 77 77 LEU H H 77 9.621 8.219 1.402 1
1 989 . 2 1 1 A 77 77 LEU HA H 77 4.741 4.843 -0.102 1
1 999 . 2 1 1 A 77 77 LEU C C 77 175.040 175.191 -0.151 1
1 1000 . 2 1 1 A 77 77 LEU CA C 77 53.510 53.417 0.093 1
1 1001 . 2 1 1 A 77 77 LEU CB C 77 44.058 45.137 -1.079 1
1 1005 . 2 1 1 A 77 77 LEU N N 77 123.140 124.787 -1.647 1
1 1006 . 2 1 1 A 78 78 PHE H H 78 7.930 8.533 -0.603 1
1 1007 . 2 1 1 A 78 78 PHE HA H 78 4.809 5.189 -0.380 1
1 1015 . 2 1 1 A 78 78 PHE C C 78 174.830 175.841 -1.011 1
1 1016 . 2 1 1 A 78 78 PHE CA C 78 58.140 56.382 1.758 1
1 1017 . 2 1 1 A 78 78 PHE CB C 78 39.603 41.095 -1.492 1
1 1021 . 2 1 1 A 78 78 PHE N N 78 120.120 123.402 -3.282 1
1 1022 . 2 1 1 A 79 79 PHE H H 79 8.038 8.201 -0.163 1
1 1023 . 2 1 1 A 79 79 PHE HA H 79 5.029 5.031 -0.002 1
1 1031 . 2 1 1 A 79 79 PHE C C 79 172.070 175.184 -3.114 1
1 1032 . 2 1 1 A 79 79 PHE CA C 79 55.630 56.519 -0.889 1
1 1033 . 2 1 1 A 79 79 PHE CB C 79 39.003 40.853 -1.850 1
1 1037 . 2 1 1 A 79 79 PHE N N 79 119.040 118.563 0.477 1
1 1038 . 2 1 1 A 80 80 GLY H H 80 7.489 7.242 0.247 1
1 1039 . 2 1 1 A 80 80 GLY HA2 H 80 3.653 4.029 -0.376 1
1 1040 . 2 1 1 A 80 80 GLY HA3 H 80 4.283 4.058 0.225 1
1 1041 . 2 1 1 A 80 80 GLY C C 80 170.830 174.293 -3.463 1
1 1042 . 2 1 1 A 80 80 GLY CA C 80 45.342 45.206 0.136 1
1 1043 . 2 1 1 A 80 80 GLY N N 80 110.010 107.658 2.352 1
1 1044 . 2 1 1 A 81 81 LYS H H 81 8.186 8.088 0.098 1
1 1045 . 2 1 1 A 81 81 LYS HA H 81 4.003 4.285 -0.282 1
1 1054 . 2 1 1 A 81 81 LYS C C 81 177.530 174.792 2.738 1
1 1055 . 2 1 1 A 81 81 LYS CA C 81 57.730 56.563 1.167 1
1 1056 . 2 1 1 A 81 81 LYS CB C 81 33.293 31.945 1.348 1
1 1060 . 2 1 1 A 81 81 LYS N N 81 117.260 118.720 -1.460 1
1 1061 . 2 1 1 A 82 82 THR H H 82 8.076 8.327 -0.251 1
1 1062 . 2 1 1 A 82 82 THR HA H 82 4.423 4.990 -0.567 1
1 1067 . 2 1 1 A 82 82 THR CA C 82 59.230 58.645 0.585 1
1 1068 . 2 1 1 A 82 82 THR CB C 82 68.310 71.070 -2.760 1
1 1070 . 2 1 1 A 82 82 THR N N 82 113.611 112.278 1.333 1
1 1071 . 2 1 1 A 83 83 PRO HA H 83 4.090 4.438 -0.348 1
1 1078 . 2 1 1 A 83 83 PRO CA C 83 63.743 62.138 1.605 1
1 1079 . 2 1 1 A 83 83 PRO CB C 83 32.167 28.778 3.389 1
1 1082 . 2 1 1 A 84 84 MET HA H 84 4.220 4.781 -0.561 1
1 1090 . 2 1 1 A 84 84 MET C C 84 175.920 175.331 0.589 1
1 1091 . 2 1 1 A 84 84 MET CA C 84 55.880 56.661 -0.781 1
1 1092 . 2 1 1 A 84 84 MET CB C 84 33.070 35.727 -2.657 1
1 1095 . 2 1 1 A 85 85 SER H H 85 7.256 7.472 -0.216 1
1 1096 . 2 1 1 A 85 85 SER HA H 85 4.401 4.913 -0.512 1
1 1099 . 2 1 1 A 85 85 SER C C 85 173.380 173.179 0.201 1
1 1100 . 2 1 1 A 85 85 SER CA C 85 58.230 57.373 0.857 1
1 1101 . 2 1 1 A 85 85 SER CB C 85 64.290 65.719 -1.429 1
1 1102 . 2 1 1 A 85 85 SER N N 85 111.370 113.474 -2.104 1
1 1103 . 2 1 1 A 86 86 ASP H H 86 8.517 9.027 -0.510 1
1 1104 . 2 1 1 A 86 86 ASP HA H 86 4.692 4.857 -0.165 1
1 1107 . 2 1 1 A 86 86 ASP C C 86 175.860 177.104 -1.244 1
1 1108 . 2 1 1 A 86 86 ASP CA C 86 54.150 55.443 -1.293 1
1 1109 . 2 1 1 A 86 86 ASP CB C 86 41.360 43.335 -1.975 1
1 1110 . 2 1 1 A 86 86 ASP N N 86 123.320 122.721 0.599 1
1 1111 . 2 1 1 A 87 87 ASP H H 87 8.412 8.098 0.314 1
1 1112 . 2 1 1 A 87 87 ASP HA H 87 4.529 4.575 -0.046 1
1 1115 . 2 1 1 A 87 87 ASP C C 87 175.270 176.658 -1.388 1
1 1116 . 2 1 1 A 87 87 ASP CA C 87 54.870 57.064 -2.194 1
1 1117 . 2 1 1 A 87 87 ASP CB C 87 41.580 41.988 -0.408 1
1 1118 . 2 1 1 A 87 87 ASP N N 87 118.900 118.180 0.720 1
1 1119 . 2 1 1 A 88 88 LYS H H 88 7.869 7.644 0.225 1
1 1120 . 2 1 1 A 88 88 LYS HA H 88 4.372 4.839 -0.467 1
1 1129 . 2 1 1 A 88 88 LYS C C 88 174.870 175.377 -0.507 1
1 1130 . 2 1 1 A 88 88 LYS CA C 88 54.580 54.463 0.117 1
1 1131 . 2 1 1 A 88 88 LYS CB C 88 34.047 35.783 -1.736 1
1 1135 . 2 1 1 A 88 88 LYS N N 88 118.310 113.285 5.025 1
1 1136 . 2 1 1 A 89 89 ILE H H 89 8.604 8.533 0.071 1
1 1137 . 2 1 1 A 89 89 ILE HA H 89 3.873 4.185 -0.312 1
1 1147 . 2 1 1 A 89 89 ILE C C 89 174.480 175.738 -1.258 1
1 1148 . 2 1 1 A 89 89 ILE CA C 89 61.890 61.072 0.818 1
1 1149 . 2 1 1 A 89 89 ILE CB C 89 36.398 37.052 -0.654 1
1 1153 . 2 1 1 A 89 89 ILE N N 89 121.510 121.594 -0.084 1
1 1154 . 2 1 1 A 90 90 GLN H H 90 8.015 8.652 -0.637 1
1 1155 . 2 1 1 A 90 90 GLN HA H 90 5.033 4.630 0.403 1
1 1162 . 2 1 1 A 90 90 GLN CA C 90 52.110 52.201 -0.091 1
1 1163 . 2 1 1 A 90 90 GLN CB C 90 32.045 30.251 1.794 1
1 1165 . 2 1 1 A 90 90 GLN N N 90 126.430 126.584 -0.154 1
1 1167 . 2 1 1 A 91 91 PRO HA H 91 4.508 4.831 -0.323 1
1 1174 . 2 1 1 A 91 91 PRO C C 91 175.210 177.376 -2.166 1
1 1175 . 2 1 1 A 91 91 PRO CA C 91 61.680 62.766 -1.086 1
1 1176 . 2 1 1 A 91 91 PRO CB C 91 32.854 33.098 -0.244 1
1 1179 . 2 1 1 A 92 92 ALA H H 92 8.014 8.681 -0.667 1
1 1180 . 2 1 1 A 92 92 ALA HA H 92 3.931 4.346 -0.415 1
1 1184 . 2 1 1 A 92 92 ALA CA C 92 55.270 54.696 0.574 1
1 1185 . 2 1 1 A 92 92 ALA CB C 92 18.838 19.037 -0.199 1
1 1186 . 2 1 1 A 92 92 ALA N N 92 121.420 122.673 -1.253 1
1 1187 . 2 1 1 A 93 93 SER H H 93 7.391 7.857 -0.466 1
1 1188 . 2 1 1 A 93 93 SER HA H 93 4.223 4.687 -0.464 1
1 1191 . 2 1 1 A 93 93 SER C C 93 171.670 172.888 -1.218 1
1 1192 . 2 1 1 A 93 93 SER CA C 93 57.240 56.555 0.685 1
1 1193 . 2 1 1 A 93 93 SER CB C 93 63.620 65.540 -1.920 1
1 1194 . 2 1 1 A 93 93 SER N N 93 105.210 110.860 -5.650 1
1 1195 . 2 1 1 A 94 94 ALA H H 94 8.276 8.387 -0.111 1
1 1196 . 2 1 1 A 94 94 ALA HA H 94 4.113 4.543 -0.430 1
1 1200 . 2 1 1 A 94 94 ALA C C 94 177.150 176.589 0.561 1
1 1201 . 2 1 1 A 94 94 ALA CA C 94 53.810 51.893 1.917 1
1 1202 . 2 1 1 A 94 94 ALA CB C 94 19.219 17.853 1.366 1
1 1203 . 2 1 1 A 94 94 ALA N N 94 117.972 125.393 -7.421 1
1 1204 . 2 1 1 A 95 95 VAL H H 95 7.886 8.226 -0.340 1
1 1205 . 2 1 1 A 95 95 VAL HA H 95 5.037 4.609 0.428 1
1 1213 . 2 1 1 A 95 95 VAL C C 95 174.060 175.936 -1.876 1
1 1214 . 2 1 1 A 95 95 VAL CA C 95 57.510 60.919 -3.409 1
1 1215 . 2 1 1 A 95 95 VAL CB C 95 35.106 33.418 1.688 1
1 1218 . 2 1 1 A 95 95 VAL N N 95 108.410 118.119 -9.709 1
1 1219 . 2 1 1 A 96 96 ASN H H 96 9.178 8.538 0.640 1
1 1220 . 2 1 1 A 96 96 ASN HA H 96 4.897 5.161 -0.264 1
1 1225 . 2 1 1 A 96 96 ASN C C 96 176.600 175.772 0.828 1
1 1226 . 2 1 1 A 96 96 ASN CA C 96 50.790 52.284 -1.494 1
1 1227 . 2 1 1 A 96 96 ASN CB C 96 39.637 38.993 0.644 1
1 1228 . 2 1 1 A 96 96 ASN N N 96 121.250 121.829 -0.579 1
1 1230 . 2 1 1 A 97 97 VAL H H 97 8.503 8.336 0.167 1
1 1231 . 2 1 1 A 97 97 VAL HA H 97 4.421 4.725 -0.304 1
1 1239 . 2 1 1 A 97 97 VAL C C 97 176.450 176.557 -0.107 1
1 1240 . 2 1 1 A 97 97 VAL CA C 97 66.030 61.112 4.918 1
1 1241 . 2 1 1 A 97 97 VAL CB C 97 30.552 32.074 -1.522 1
1 1244 . 2 1 1 A 97 97 VAL N N 97 129.670 118.518 11.152 1
1 1245 . 2 1 1 A 98 98 ILE H H 98 8.129 7.780 0.349 1
1 1246 . 2 1 1 A 98 98 ILE HA H 98 4.628 3.884 0.744 1
1 1256 . 2 1 1 A 98 98 ILE C C 98 174.270 177.150 -2.880 1
1 1257 . 2 1 1 A 98 98 ILE CA C 98 61.240 64.286 -3.046 1
1 1258 . 2 1 1 A 98 98 ILE CB C 98 39.812 37.684 2.128 1
1 1262 . 2 1 1 A 98 98 ILE N N 98 119.500 120.883 -1.383 1
1 1263 . 2 1 1 A 99 99 GLY H H 99 7.668 7.502 0.166 1
1 1264 . 2 1 1 A 99 99 GLY HA2 H 99 4.435 4.124 0.311 1
1 1265 . 2 1 1 A 99 99 GLY HA3 H 99 4.637 4.127 0.510 1
1 1266 . 2 1 1 A 99 99 GLY C C 99 172.410 172.087 0.323 1
1 1267 . 2 1 1 A 99 99 GLY CA C 99 46.906 44.557 2.349 1
1 1268 . 2 1 1 A 99 99 GLY N N 99 107.230 110.724 -3.494 1
1 1269 . 2 1 1 A 100 100 LYS H H 100 8.347 8.245 0.102 1
1 1270 . 2 1 1 A 100 100 LYS HA H 100 5.540 5.013 0.527 1
1 1279 . 2 1 1 A 100 100 LYS C C 100 175.740 174.712 1.028 1
1 1280 . 2 1 1 A 100 100 LYS CA C 100 54.150 55.068 -0.918 1
1 1281 . 2 1 1 A 100 100 LYS CB C 100 37.900 36.323 1.577 1
1 1285 . 2 1 1 A 100 100 LYS N N 100 119.730 120.610 -0.880 1
1 1286 . 2 1 1 A 101 101 ILE H H 101 9.542 8.858 0.684 1
1 1287 . 2 1 1 A 101 101 ILE HA H 101 4.184 4.275 -0.091 1
1 1297 . 2 1 1 A 101 101 ILE C C 101 176.010 177.204 -1.194 1
1 1298 . 2 1 1 A 101 101 ILE CA C 101 62.940 61.697 1.243 1
1 1299 . 2 1 1 A 101 101 ILE CB C 101 39.212 37.043 2.169 1
1 1303 . 2 1 1 A 101 101 ILE N N 101 124.050 127.751 -3.701 1
1 1304 . 2 1 1 A 102 102 VAL H H 102 8.728 7.934 0.794 1
1 1305 . 2 1 1 A 102 102 VAL HA H 102 4.591 4.108 0.483 1
1 1313 . 2 1 1 A 102 102 VAL C C 102 175.730 175.769 -0.039 1
1 1314 . 2 1 1 A 102 102 VAL CA C 102 62.030 63.987 -1.957 1
1 1315 . 2 1 1 A 102 102 VAL CB C 102 33.307 32.143 1.164 1
1 1318 . 2 1 1 A 102 102 VAL N N 102 121.420 125.709 -4.289 1
1 1319 . 2 1 1 A 103 103 GLU H H 103 7.912 7.521 0.391 1
1 1320 . 2 1 1 A 103 103 GLU HA H 103 4.661 4.528 0.133 1
1 1325 . 2 1 1 A 103 103 GLU C C 103 176.520 175.770 0.750 1
1 1326 . 2 1 1 A 103 103 GLU CA C 103 56.550 55.690 0.860 1
1 1327 . 2 1 1 A 103 103 GLU CB C 103 34.180 33.603 0.577 1
1 1329 . 2 1 1 A 103 103 GLU N N 103 120.750 119.853 0.897 1
1 1330 . 2 1 1 A 104 104 GLY H H 104 8.934 8.723 0.211 1
1 1331 . 2 1 1 A 104 104 GLY HA2 H 104 3.932 4.060 -0.128 1
1 1332 . 2 1 1 A 104 104 GLY HA3 H 104 4.345 4.073 0.272 1
1 1333 . 2 1 1 A 104 104 GLY C C 104 175.230 175.309 -0.079 1
1 1334 . 2 1 1 A 104 104 GLY CA C 104 46.616 46.207 0.409 1
1 1335 . 2 1 1 A 104 104 GLY N N 104 111.140 110.867 0.273 1
1 1336 . 2 1 1 A 105 105 LEU H H 105 8.158 7.843 0.315 1
1 1337 . 2 1 1 A 105 105 LEU HA H 105 3.702 4.046 -0.344 1
1 1347 . 2 1 1 A 105 105 LEU C C 105 179.250 178.416 0.834 1
1 1348 . 2 1 1 A 105 105 LEU CA C 105 59.400 57.255 2.145 1
1 1349 . 2 1 1 A 105 105 LEU CB C 105 42.743 42.182 0.561 1
1 1353 . 2 1 1 A 105 105 LEU N N 105 121.390 122.290 -0.900 1
1 1354 . 2 1 1 A 106 106 GLU H H 106 8.944 8.276 0.668 1
1 1355 . 2 1 1 A 106 106 GLU HA H 106 3.978 4.256 -0.278 1
1 1360 . 2 1 1 A 106 106 GLU C C 106 178.120 176.911 1.209 1
1 1361 . 2 1 1 A 106 106 GLU CA C 106 58.720 58.248 0.472 1
1 1362 . 2 1 1 A 106 106 GLU CB C 106 28.920 29.271 -0.351 1
1 1364 . 2 1 1 A 106 106 GLU N N 106 113.860 118.959 -5.099 1
1 1365 . 2 1 1 A 107 107 ASP H H 107 7.538 7.706 -0.168 1
1 1366 . 2 1 1 A 107 107 ASP HA H 107 4.344 4.696 -0.352 1
1 1369 . 2 1 1 A 107 107 ASP C C 107 178.190 176.892 1.298 1
1 1370 . 2 1 1 A 107 107 ASP CA C 107 55.780 54.131 1.649 1
1 1371 . 2 1 1 A 107 107 ASP CB C 107 41.191 41.474 -0.283 1
1 1372 . 2 1 1 A 107 107 ASP N N 107 119.620 118.159 1.461 1
1 1373 . 2 1 1 A 108 108 LEU H H 108 7.115 7.090 0.025 1
1 1374 . 2 1 1 A 108 108 LEU HA H 108 3.357 3.833 -0.476 1
1 1384 . 2 1 1 A 108 108 LEU C C 108 177.920 179.100 -1.180 1
1 1385 . 2 1 1 A 108 108 LEU CA C 108 57.000 56.496 0.504 1
1 1386 . 2 1 1 A 108 108 LEU CB C 108 38.445 40.884 -2.439 1
1 1390 . 2 1 1 A 108 108 LEU N N 108 117.551 119.492 -1.941 1
1 1391 . 2 1 1 A 109 109 LYS H H 109 7.179 7.877 -0.698 1
1 1392 . 2 1 1 A 109 109 LYS HA H 109 3.879 4.057 -0.178 1
1 1401 . 2 1 1 A 109 109 LYS C C 109 176.650 178.431 -1.781 1
1 1402 . 2 1 1 A 109 109 LYS CA C 109 57.792 58.895 -1.103 1
1 1403 . 2 1 1 A 109 109 LYS CB C 109 32.184 31.995 0.189 1
1 1407 . 2 1 1 A 109 109 LYS N N 109 115.080 117.921 -2.841 1
1 1408 . 2 1 1 A 110 110 LYS H H 110 7.364 7.587 -0.223 1
1 1409 . 2 1 1 A 110 110 LYS HA H 110 4.016 4.219 -0.203 1
1 1418 . 2 1 1 A 110 110 LYS C C 110 175.890 176.662 -0.772 1
1 1419 . 2 1 1 A 110 110 LYS CA C 110 56.550 57.590 -1.040 1
1 1420 . 2 1 1 A 110 110 LYS CB C 110 32.972 32.423 0.549 1
1 1424 . 2 1 1 A 110 110 LYS N N 110 116.720 116.580 0.140 1
1 1425 . 2 1 1 A 111 111 ILE H H 111 6.626 7.520 -0.894 1
1 1426 . 2 1 1 A 111 111 ILE HA H 111 3.531 4.003 -0.472 1
1 1436 . 2 1 1 A 111 111 ILE C C 111 176.180 175.497 0.683 1
1 1437 . 2 1 1 A 111 111 ILE CA C 111 59.950 60.577 -0.627 1
1 1438 . 2 1 1 A 111 111 ILE CB C 111 34.946 38.496 -3.550 1
1 1442 . 2 1 1 A 111 111 ILE N N 111 117.000 120.042 -3.042 1
1 1443 . 2 1 1 A 112 112 LYS H H 112 8.388 8.547 -0.159 1
1 1444 . 2 1 1 A 112 112 LYS HA H 112 4.356 4.558 -0.202 1
1 1453 . 2 1 1 A 112 112 LYS C C 112 175.750 177.555 -1.805 1
1 1454 . 2 1 1 A 112 112 LYS CA C 112 54.430 54.528 -0.098 1
1 1455 . 2 1 1 A 112 112 LYS CB C 112 33.936 34.446 -0.510 1
1 1459 . 2 1 1 A 112 112 LYS N N 112 128.240 124.201 4.039 1
1 1460 . 2 1 1 A 113 113 ASP H H 113 8.103 8.882 -0.779 1
1 1461 . 2 1 1 A 113 113 ASP HA H 113 4.026 4.784 -0.758 1
1 1464 . 2 1 1 A 113 113 ASP C C 113 177.630 176.438 1.192 1
1 1465 . 2 1 1 A 113 113 ASP CA C 113 56.660 53.871 2.789 1
1 1466 . 2 1 1 A 113 113 ASP CB C 113 42.033 40.923 1.110 1
1 1467 . 2 1 1 A 113 113 ASP N N 113 119.040 121.647 -2.607 1
1 1468 . 2 1 1 A 114 114 GLY H H 114 8.635 7.331 1.304 1
1 1469 . 2 1 1 A 114 114 GLY HA2 H 114 3.547 4.049 -0.502 1
1 1470 . 2 1 1 A 114 114 GLY HA3 H 114 4.229 4.055 0.174 1
1 1471 . 2 1 1 A 114 114 GLY C C 114 174.640 173.714 0.926 1
1 1472 . 2 1 1 A 114 114 GLY CA C 114 45.403 45.626 -0.223 1
1 1473 . 2 1 1 A 114 114 GLY N N 114 113.170 106.732 6.438 1
1 1474 . 2 1 1 A 115 115 GLU H H 115 7.346 8.448 -1.102 1
1 1475 . 2 1 1 A 115 115 GLU HA H 115 4.113 4.583 -0.470 1
1 1480 . 2 1 1 A 115 115 GLU C C 115 175.840 175.400 0.440 1
1 1481 . 2 1 1 A 115 115 GLU CA C 115 58.180 55.487 2.693 1
1 1482 . 2 1 1 A 115 115 GLU CB C 115 30.902 30.377 0.525 1
1 1484 . 2 1 1 A 115 115 GLU N N 115 119.440 119.576 -0.136 1
1 1485 . 2 1 1 A 116 116 LYS H H 116 9.107 7.937 1.170 1
1 1486 . 2 1 1 A 116 116 LYS HA H 116 4.529 4.134 0.395 1
1 1495 . 2 1 1 A 116 116 LYS C C 116 176.050 175.218 0.832 1
1 1496 . 2 1 1 A 116 116 LYS CA C 116 56.820 56.910 -0.090 1
1 1497 . 2 1 1 A 116 116 LYS CB C 116 33.358 31.166 2.192 1
1 1501 . 2 1 1 A 116 116 LYS N N 116 121.800 115.821 5.979 1
1 1502 . 2 1 1 A 117 117 VAL H H 117 7.860 7.897 -0.037 1
1 1503 . 2 1 1 A 117 117 VAL HA H 117 4.668 4.516 0.152 1
1 1511 . 2 1 1 A 117 117 VAL C C 117 171.630 175.091 -3.461 1
1 1512 . 2 1 1 A 117 117 VAL CA C 117 57.440 61.316 -3.876 1
1 1513 . 2 1 1 A 117 117 VAL CB C 117 34.614 32.567 2.047 1
1 1516 . 2 1 1 A 117 117 VAL N N 117 118.940 118.355 0.585 1
1 1517 . 2 1 1 A 118 118 ALA H H 118 8.310 8.386 -0.076 1
1 1518 . 2 1 1 A 118 118 ALA HA H 118 4.506 4.619 -0.113 1
1 1522 . 2 1 1 A 118 118 ALA C C 118 174.660 175.713 -1.053 1
1 1523 . 2 1 1 A 118 118 ALA CA C 118 50.370 51.157 -0.787 1
1 1524 . 2 1 1 A 118 118 ALA CB C 118 20.250 19.376 0.874 1
1 1525 . 2 1 1 A 118 118 ALA N N 118 130.190 123.356 6.834 1
1 1526 . 2 1 1 A 119 119 VAL H H 119 8.295 8.798 -0.503 1
1 1527 . 2 1 1 A 119 119 VAL HA H 119 4.096 4.157 -0.061 1
1 1535 . 2 1 1 A 119 119 VAL C C 119 175.320 175.929 -0.609 1
1 1536 . 2 1 1 A 119 119 VAL CA C 119 61.570 62.727 -1.157 1
1 1537 . 2 1 1 A 119 119 VAL CB C 119 31.445 30.688 0.757 1
1 1540 . 2 1 1 A 119 119 VAL N N 119 123.160 123.076 0.084 1
1 1541 . 2 1 1 A 120 120 ARG H H 120 8.596 8.834 -0.238 1
1 1542 . 2 1 1 A 120 120 ARG HA H 120 4.534 4.563 -0.029 1
1 1550 . 2 1 1 A 120 120 ARG C C 120 175.260 176.413 -1.153 1
1 1551 . 2 1 1 A 120 120 ARG CA C 120 53.740 53.576 0.164 1
1 1552 . 2 1 1 A 120 120 ARG CB C 120 34.359 34.032 0.327 1
1 1555 . 2 1 1 A 120 120 ARG N N 120 123.692 127.458 -3.766 1
1 1557 . 2 1 1 A 121 121 PHE H H 121 8.585 8.851 -0.266 1
1 1558 . 2 1 1 A 121 121 PHE HA H 121 4.591 4.376 0.215 1
1 1566 . 2 1 1 A 121 121 PHE C C 121 176.430 175.250 1.180 1
1 1567 . 2 1 1 A 121 121 PHE CA C 121 60.370 58.437 1.933 1
1 1568 . 2 1 1 A 121 121 PHE CB C 121 38.713 39.175 -0.462 1
1 1572 . 2 1 1 A 121 121 PHE N N 121 120.110 120.538 -0.428 1
1 1573 . 2 1 1 A 122 122 ALA H H 122 7.896 8.093 -0.197 1
1 1574 . 2 1 1 A 122 122 ALA HA H 122 4.304 4.144 0.160 1
1 1578 . 2 1 1 A 122 122 ALA C C 122 177.430 176.438 0.992 1
1 1579 . 2 1 1 A 122 122 ALA CA C 122 52.050 53.064 -1.014 1
1 1580 . 2 1 1 A 122 122 ALA CB C 122 19.865 18.086 1.779 1
1 1581 . 2 1 1 A 122 122 ALA N N 122 123.820 122.120 1.700 1
1 1582 . 2 1 1 A 123 123 SER H H 123 8.675 8.983 -0.308 1
1 1583 . 2 1 1 A 123 123 SER HA H 123 4.372 4.841 -0.469 1
1 1586 . 2 1 1 A 123 123 SER C C 123 173.630 173.984 -0.354 1
1 1587 . 2 1 1 A 123 123 SER CA C 123 58.750 57.407 1.343 1
1 1588 . 2 1 1 A 123 123 SER CB C 123 63.870 62.513 1.357 1
1 1589 . 2 1 1 A 123 123 SER N N 123 117.330 119.876 -2.546 1
1 14 . 3 1 1 A 2 2 ARG H H 2 9.247 8.701 0.546 1
1 15 . 3 1 1 A 2 2 ARG HA H 2 5.249 4.584 0.665 1
1 23 . 3 1 1 A 2 2 ARG C C 2 176.020 175.534 0.486 1
1 24 . 3 1 1 A 2 2 ARG CA C 2 56.360 56.533 -0.173 1
1 25 . 3 1 1 A 2 2 ARG CB C 2 31.953 31.769 0.184 1
1 28 . 3 1 1 A 2 2 ARG N N 2 129.420 127.292 2.128 1
1 30 . 3 1 1 A 3 3 VAL H H 3 9.361 8.654 0.707 1
1 31 . 3 1 1 A 3 3 VAL HA H 3 4.464 5.067 -0.603 1
1 39 . 3 1 1 A 3 3 VAL C C 3 173.160 173.965 -0.805 1
1 40 . 3 1 1 A 3 3 VAL CA C 3 61.330 60.734 0.596 1
1 41 . 3 1 1 A 3 3 VAL CB C 3 36.251 35.631 0.620 1
1 44 . 3 1 1 A 3 3 VAL N N 3 126.750 119.999 6.751 1
1 45 . 3 1 1 A 4 4 GLU H H 4 9.294 9.060 0.234 1
1 46 . 3 1 1 A 4 4 GLU HA H 4 4.807 4.920 -0.113 1
1 51 . 3 1 1 A 4 4 GLU C C 4 173.020 175.330 -2.310 1
1 52 . 3 1 1 A 4 4 GLU CA C 4 54.890 55.262 -0.372 1
1 53 . 3 1 1 A 4 4 GLU CB C 4 33.146 31.492 1.654 1
1 55 . 3 1 1 A 4 4 GLU N N 4 128.550 127.835 0.715 1
1 56 . 3 1 1 A 5 5 LEU H H 5 8.685 9.184 -0.499 1
1 57 . 3 1 1 A 5 5 LEU HA H 5 4.547 4.451 0.096 1
1 67 . 3 1 1 A 5 5 LEU C C 5 173.750 174.715 -0.965 1
1 68 . 3 1 1 A 5 5 LEU CA C 5 52.450 53.285 -0.835 1
1 69 . 3 1 1 A 5 5 LEU CB C 5 41.998 41.870 0.128 1
1 73 . 3 1 1 A 5 5 LEU N N 5 124.490 128.277 -3.787 1
1 74 . 3 1 1 A 6 6 LEU H H 6 8.608 8.569 0.039 1
1 75 . 3 1 1 A 6 6 LEU HA H 6 4.502 4.649 -0.147 1
1 85 . 3 1 1 A 6 6 LEU C C 6 176.550 175.242 1.308 1
1 86 . 3 1 1 A 6 6 LEU CA C 6 53.790 53.455 0.335 1
1 87 . 3 1 1 A 6 6 LEU CB C 6 42.240 43.988 -1.748 1
1 91 . 3 1 1 A 6 6 LEU N N 6 123.330 125.969 -2.639 1
1 92 . 3 1 1 A 7 7 PHE H H 7 8.344 8.886 -0.542 1
1 93 . 3 1 1 A 7 7 PHE HA H 7 5.378 4.975 0.403 1
1 101 . 3 1 1 A 7 7 PHE C C 7 175.050 176.087 -1.037 1
1 102 . 3 1 1 A 7 7 PHE CA C 7 55.830 56.807 -0.977 1
1 103 . 3 1 1 A 7 7 PHE CB C 7 39.383 43.179 -3.796 1
1 108 . 3 1 1 A 7 7 PHE N N 7 125.190 121.932 3.258 1
1 109 . 3 1 1 A 8 8 GLU H H 8 8.226 9.224 -0.998 1
1 110 . 3 1 1 A 8 8 GLU HA H 8 4.266 4.162 0.104 1
1 115 . 3 1 1 A 8 8 GLU C C 8 180.740 177.269 3.471 1
1 116 . 3 1 1 A 8 8 GLU CA C 8 59.530 59.540 -0.010 1
1 117 . 3 1 1 A 8 8 GLU CB C 8 29.723 29.316 0.407 1
1 119 . 3 1 1 A 8 8 GLU N N 8 120.100 122.808 -2.708 1
1 120 . 3 1 1 A 9 9 SER H H 9 9.069 8.191 0.878 1
1 121 . 3 1 1 A 9 9 SER HA H 9 4.467 4.596 -0.129 1
1 124 . 3 1 1 A 9 9 SER C C 9 173.740 174.122 -0.382 1
1 125 . 3 1 1 A 9 9 SER CA C 9 58.600 58.820 -0.220 1
1 126 . 3 1 1 A 9 9 SER CB C 9 63.120 64.356 -1.236 1
1 127 . 3 1 1 A 9 9 SER N N 9 112.770 112.694 0.076 1
1 128 . 3 1 1 A 10 10 GLY H H 10 6.925 7.578 -0.653 1
1 129 . 3 1 1 A 10 10 GLY HA2 H 10 3.896 4.127 -0.231 1
1 130 . 3 1 1 A 10 10 GLY HA3 H 10 3.896 4.131 -0.235 1
1 131 . 3 1 1 A 10 10 GLY C C 10 170.040 171.298 -1.258 1
1 132 . 3 1 1 A 10 10 GLY CA C 10 45.466 45.924 -0.458 1
1 133 . 3 1 1 A 10 10 GLY N N 10 105.760 106.929 -1.169 1
1 134 . 3 1 1 A 11 11 LYS H H 11 9.071 8.884 0.187 1
1 135 . 3 1 1 A 11 11 LYS HA H 11 5.484 5.464 0.020 1
1 144 . 3 1 1 A 11 11 LYS C C 11 174.230 174.354 -0.124 1
1 145 . 3 1 1 A 11 11 LYS CA C 11 55.460 54.740 0.720 1
1 146 . 3 1 1 A 11 11 LYS CB C 11 36.408 36.480 -0.072 1
1 150 . 3 1 1 A 11 11 LYS N N 11 118.960 116.490 2.470 1
1 151 . 3 1 1 A 12 12 CYS H H 12 8.917 9.299 -0.382 1
1 152 . 3 1 1 A 12 12 CYS HA H 12 5.083 5.494 -0.411 1
1 155 . 3 1 1 A 12 12 CYS C C 12 171.760 172.637 -0.877 1
1 156 . 3 1 1 A 12 12 CYS CA C 12 56.770 56.444 0.326 1
1 157 . 3 1 1 A 12 12 CYS CB C 12 31.267 32.837 -1.570 1
1 158 . 3 1 1 A 12 12 CYS N N 12 115.700 119.044 -3.344 1
1 159 . 3 1 1 A 13 13 VAL H H 13 8.474 8.465 0.009 1
1 160 . 3 1 1 A 13 13 VAL HA H 13 4.992 5.074 -0.082 1
1 168 . 3 1 1 A 13 13 VAL C C 13 175.660 175.346 0.314 1
1 169 . 3 1 1 A 13 13 VAL CA C 13 61.490 60.646 0.844 1
1 170 . 3 1 1 A 13 13 VAL CB C 13 35.125 35.700 -0.575 1
1 173 . 3 1 1 A 13 13 VAL N N 13 120.490 120.126 0.364 1
1 174 . 3 1 1 A 14 14 ILE H H 14 9.378 9.258 0.120 1
1 175 . 3 1 1 A 14 14 ILE HA H 14 5.335 5.447 -0.112 1
1 185 . 3 1 1 A 14 14 ILE C C 14 172.570 173.164 -0.594 1
1 186 . 3 1 1 A 14 14 ILE CA C 14 58.540 58.736 -0.196 1
1 187 . 3 1 1 A 14 14 ILE CB C 14 40.755 42.169 -1.414 1
1 191 . 3 1 1 A 14 14 ILE N N 14 120.140 121.897 -1.757 1
1 192 . 3 1 1 A 15 15 ASP H H 15 9.295 9.060 0.235 1
1 193 . 3 1 1 A 15 15 ASP HA H 15 5.274 5.504 -0.230 1
1 196 . 3 1 1 A 15 15 ASP C C 15 176.510 174.469 2.041 1
1 197 . 3 1 1 A 15 15 ASP CA C 15 53.050 52.707 0.343 1
1 198 . 3 1 1 A 15 15 ASP CB C 15 44.007 44.867 -0.860 1
1 199 . 3 1 1 A 15 15 ASP N N 15 123.200 123.434 -0.234 1
1 200 . 3 1 1 A 16 16 LEU H H 16 8.892 9.692 -0.800 1
1 201 . 3 1 1 A 16 16 LEU HA H 16 4.981 5.330 -0.349 1
1 211 . 3 1 1 A 16 16 LEU C C 16 175.430 175.524 -0.094 1
1 212 . 3 1 1 A 16 16 LEU CA C 16 53.040 53.443 -0.403 1
1 213 . 3 1 1 A 16 16 LEU CB C 16 45.782 45.569 0.213 1
1 217 . 3 1 1 A 16 16 LEU N N 16 123.620 125.839 -2.219 1
1 218 . 3 1 1 A 17 17 ASN H H 17 8.694 8.665 0.029 1
1 219 . 3 1 1 A 17 17 ASN HA H 17 4.632 4.933 -0.301 1
1 224 . 3 1 1 A 17 17 ASN C C 17 175.500 176.427 -0.927 1
1 225 . 3 1 1 A 17 17 ASN CA C 17 53.310 52.745 0.565 1
1 226 . 3 1 1 A 17 17 ASN CB C 17 38.508 38.703 -0.195 1
1 227 . 3 1 1 A 17 17 ASN N N 17 121.330 122.177 -0.847 1
1 229 . 3 1 1 A 18 18 GLU H H 18 8.793 8.970 -0.177 1
1 230 . 3 1 1 A 18 18 GLU HA H 18 3.736 4.341 -0.605 1
1 235 . 3 1 1 A 18 18 GLU C C 18 175.250 176.865 -1.615 1
1 236 . 3 1 1 A 18 18 GLU CA C 18 58.330 57.682 0.648 1
1 237 . 3 1 1 A 18 18 GLU CB C 18 29.947 29.578 0.369 1
1 239 . 3 1 1 A 18 18 GLU N N 18 124.750 126.481 -1.731 1
1 240 . 3 1 1 A 19 19 GLU H H 19 8.187 8.105 0.082 1
1 241 . 3 1 1 A 19 19 GLU HA H 19 3.885 4.417 -0.532 1
1 246 . 3 1 1 A 19 19 GLU C C 19 177.350 174.221 3.129 1
1 247 . 3 1 1 A 19 19 GLU CA C 19 57.730 55.677 2.053 1
1 248 . 3 1 1 A 19 19 GLU CB C 19 29.744 30.569 -0.825 1
1 250 . 3 1 1 A 19 19 GLU N N 19 117.280 118.057 -0.777 1
1 251 . 3 1 1 A 20 20 TYR H H 20 7.135 7.576 -0.441 1
1 252 . 3 1 1 A 20 20 TYR HA H 20 4.668 4.994 -0.326 1
1 259 . 3 1 1 A 20 20 TYR CA C 20 56.050 56.159 -0.109 1
1 260 . 3 1 1 A 20 20 TYR CB C 20 38.464 42.069 -3.605 1
1 263 . 3 1 1 A 20 20 TYR N N 20 117.730 120.256 -2.526 1
1 264 . 3 1 1 A 21 21 GLU H H 21 10.044 8.971 1.073 1
1 265 . 3 1 1 A 21 21 GLU HA H 21 3.807 3.935 -0.128 1
1 270 . 3 1 1 A 21 21 GLU C C 21 179.150 178.303 0.847 1
1 271 . 3 1 1 A 21 21 GLU CA C 21 60.640 60.020 0.620 1
1 272 . 3 1 1 A 21 21 GLU CB C 21 29.167 29.401 -0.234 1
1 274 . 3 1 1 A 21 21 GLU N N 21 129.480 124.272 5.208 1
1 275 . 3 1 1 A 22 22 VAL H H 22 9.539 8.045 1.494 1
1 276 . 3 1 1 A 22 22 VAL HA H 22 3.574 3.575 -0.001 1
1 284 . 3 1 1 A 22 22 VAL C C 22 175.490 178.484 -2.994 1
1 285 . 3 1 1 A 22 22 VAL CA C 22 64.470 66.361 -1.891 1
1 286 . 3 1 1 A 22 22 VAL CB C 22 30.858 31.308 -0.450 1
1 289 . 3 1 1 A 22 22 VAL N N 22 115.360 119.670 -4.310 1
1 290 . 3 1 1 A 23 23 VAL H H 23 6.843 7.904 -1.061 1
1 291 . 3 1 1 A 23 23 VAL HA H 23 3.387 3.647 -0.260 1
1 299 . 3 1 1 A 23 23 VAL C C 23 176.900 178.294 -1.394 1
1 300 . 3 1 1 A 23 23 VAL CA C 23 67.030 66.756 0.274 1
1 301 . 3 1 1 A 23 23 VAL CB C 23 31.499 31.699 -0.200 1
1 304 . 3 1 1 A 23 23 VAL N N 23 121.150 120.692 0.458 1
1 305 . 3 1 1 A 24 24 LYS H H 24 7.533 7.755 -0.222 1
1 306 . 3 1 1 A 24 24 LYS HA H 24 3.851 4.116 -0.265 1
1 315 . 3 1 1 A 24 24 LYS C C 24 179.820 178.151 1.669 1
1 316 . 3 1 1 A 24 24 LYS CA C 24 60.480 58.530 1.950 1
1 317 . 3 1 1 A 24 24 LYS CB C 24 32.626 31.945 0.681 1
1 321 . 3 1 1 A 24 24 LYS N N 24 120.120 119.478 0.642 1
1 322 . 3 1 1 A 25 25 LEU H H 25 7.870 7.555 0.315 1
1 323 . 3 1 1 A 25 25 LEU HA H 25 4.097 4.276 -0.179 1
1 333 . 3 1 1 A 25 25 LEU C C 25 180.620 179.161 1.459 1
1 334 . 3 1 1 A 25 25 LEU CA C 25 57.440 56.612 0.828 1
1 335 . 3 1 1 A 25 25 LEU CB C 25 41.717 42.109 -0.392 1
1 339 . 3 1 1 A 25 25 LEU N N 25 117.260 118.226 -0.966 1
1 340 . 3 1 1 A 26 26 LEU H H 26 8.489 8.418 0.071 1
1 341 . 3 1 1 A 26 26 LEU HA H 26 3.703 4.058 -0.355 1
1 351 . 3 1 1 A 26 26 LEU C C 26 178.820 179.141 -0.321 1
1 352 . 3 1 1 A 26 26 LEU CA C 26 58.310 57.518 0.792 1
1 353 . 3 1 1 A 26 26 LEU CB C 26 42.487 40.970 1.517 1
1 357 . 3 1 1 A 26 26 LEU N N 26 121.760 120.534 1.226 1
1 358 . 3 1 1 A 27 27 LYS H H 27 8.190 8.136 0.054 1
1 359 . 3 1 1 A 27 27 LYS HA H 27 3.799 4.249 -0.450 1
1 368 . 3 1 1 A 27 27 LYS C C 27 177.470 179.083 -1.613 1
1 369 . 3 1 1 A 27 27 LYS CA C 27 60.480 59.868 0.612 1
1 370 . 3 1 1 A 27 27 LYS CB C 27 33.472 32.374 1.098 1
1 374 . 3 1 1 A 27 27 LYS N N 27 117.650 121.448 -3.798 1
1 375 . 3 1 1 A 28 28 GLU H H 28 6.841 8.205 -1.364 1
1 376 . 3 1 1 A 28 28 GLU HA H 28 4.238 4.249 -0.011 1
1 381 . 3 1 1 A 28 28 GLU C C 28 177.280 177.542 -0.262 1
1 382 . 3 1 1 A 28 28 GLU CA C 28 57.370 58.757 -1.387 1
1 383 . 3 1 1 A 28 28 GLU CB C 28 30.480 29.368 1.112 1
1 385 . 3 1 1 A 28 28 GLU N N 28 111.940 118.823 -6.883 1
1 386 . 3 1 1 A 29 29 LYS H H 29 7.577 7.867 -0.290 1
1 387 . 3 1 1 A 29 29 LYS HA H 29 4.414 4.583 -0.169 1
1 396 . 3 1 1 A 29 29 LYS C C 29 175.230 175.390 -0.160 1
1 397 . 3 1 1 A 29 29 LYS CA C 29 53.800 55.296 -1.496 1
1 398 . 3 1 1 A 29 29 LYS CB C 29 33.530 33.547 -0.017 1
1 402 . 3 1 1 A 29 29 LYS N N 29 115.460 117.241 -1.781 1
1 403 . 3 1 1 A 30 30 ILE H H 30 6.921 7.586 -0.665 1
1 404 . 3 1 1 A 30 30 ILE HA H 30 3.939 4.472 -0.533 1
1 414 . 3 1 1 A 30 30 ILE CA C 30 60.290 57.225 3.065 1
1 415 . 3 1 1 A 30 30 ILE CB C 30 39.967 39.088 0.879 1
1 419 . 3 1 1 A 30 30 ILE N N 30 122.100 120.544 1.556 1
1 420 . 3 1 1 A 31 31 PRO HA H 31 4.840 4.838 0.002 1
1 427 . 3 1 1 A 31 31 PRO C C 31 175.340 176.348 -1.008 1
1 428 . 3 1 1 A 31 31 PRO CA C 31 62.720 62.322 0.398 1
1 429 . 3 1 1 A 31 31 PRO CB C 31 36.350 33.149 3.201 1
1 432 . 3 1 1 A 32 32 PHE H H 32 7.627 8.549 -0.922 1
1 433 . 3 1 1 A 32 32 PHE HA H 32 4.959 5.127 -0.168 1
1 441 . 3 1 1 A 32 32 PHE C C 32 171.870 172.338 -0.468 1
1 442 . 3 1 1 A 32 32 PHE CA C 32 56.300 56.143 0.157 1
1 443 . 3 1 1 A 32 32 PHE CB C 32 40.253 41.851 -1.598 1
1 447 . 3 1 1 A 32 32 PHE N N 32 112.880 117.202 -4.322 1
1 448 . 3 1 1 A 33 33 GLU H H 33 8.728 8.808 -0.080 1
1 449 . 3 1 1 A 33 33 GLU HA H 33 5.309 5.325 -0.016 1
1 454 . 3 1 1 A 33 33 GLU C C 33 175.630 175.260 0.370 1
1 455 . 3 1 1 A 33 33 GLU CA C 33 54.450 54.663 -0.213 1
1 456 . 3 1 1 A 33 33 GLU CB C 33 33.814 33.483 0.331 1
1 458 . 3 1 1 A 33 33 GLU N N 33 118.710 119.187 -0.477 1
1 459 . 3 1 1 A 34 34 SER H H 34 8.964 8.609 0.355 1
1 460 . 3 1 1 A 34 34 SER HA H 34 4.803 4.965 -0.162 1
1 463 . 3 1 1 A 34 34 SER C C 34 174.560 172.595 1.965 1
1 464 . 3 1 1 A 34 34 SER CA C 34 55.830 56.049 -0.219 1
1 465 . 3 1 1 A 34 34 SER CB C 34 64.270 65.396 -1.126 1
1 466 . 3 1 1 A 34 34 SER N N 34 115.150 116.081 -0.931 1
1 467 . 3 1 1 A 35 35 VAL H H 35 8.322 8.649 -0.327 1
1 468 . 3 1 1 A 35 35 VAL HA H 35 4.724 4.490 0.234 1
1 476 . 3 1 1 A 35 35 VAL C C 35 174.950 175.386 -0.436 1
1 477 . 3 1 1 A 35 35 VAL CA C 35 61.350 61.712 -0.362 1
1 478 . 3 1 1 A 35 35 VAL CB C 35 35.676 33.077 2.599 1
1 481 . 3 1 1 A 35 35 VAL N N 35 121.700 122.478 -0.778 1
1 482 . 3 1 1 A 36 36 VAL H H 36 9.200 8.718 0.482 1
1 483 . 3 1 1 A 36 36 VAL HA H 36 3.999 4.428 -0.429 1
1 491 . 3 1 1 A 36 36 VAL C C 36 175.490 175.172 0.318 1
1 492 . 3 1 1 A 36 36 VAL CA C 36 63.900 61.533 2.367 1
1 493 . 3 1 1 A 36 36 VAL CB C 36 33.593 31.018 2.575 1
1 496 . 3 1 1 A 36 36 VAL N N 36 123.870 128.029 -4.159 1
1 497 . 3 1 1 A 37 37 ASN H H 37 8.739 8.798 -0.059 1
1 498 . 3 1 1 A 37 37 ASN HA H 37 5.276 5.047 0.229 1
1 503 . 3 1 1 A 37 37 ASN C C 37 174.040 174.820 -0.780 1
1 504 . 3 1 1 A 37 37 ASN CA C 37 51.960 52.565 -0.605 1
1 505 . 3 1 1 A 37 37 ASN CB C 37 41.996 39.795 2.201 1
1 506 . 3 1 1 A 37 37 ASN N N 37 123.895 125.733 -1.838 1
1 508 . 3 1 1 A 38 38 THR H H 38 8.703 9.103 -0.400 1
1 509 . 3 1 1 A 38 38 THR HA H 38 5.323 5.451 -0.128 1
1 514 . 3 1 1 A 38 38 THR C C 38 174.910 173.645 1.265 1
1 515 . 3 1 1 A 38 38 THR CA C 38 59.740 59.659 0.081 1
1 516 . 3 1 1 A 38 38 THR CB C 38 71.332 72.011 -0.679 1
1 518 . 3 1 1 A 38 38 THR N N 38 111.440 110.220 1.220 1
1 519 . 3 1 1 A 39 39 TRP H H 39 8.489 8.949 -0.460 1
1 520 . 3 1 1 A 39 39 TRP HA H 39 4.838 4.958 -0.120 1
1 529 . 3 1 1 A 39 39 TRP C C 39 175.270 175.750 -0.480 1
1 530 . 3 1 1 A 39 39 TRP CA C 39 57.040 57.100 -0.060 1
1 531 . 3 1 1 A 39 39 TRP CB C 39 29.089 31.887 -2.798 1
1 537 . 3 1 1 A 39 39 TRP N N 39 125.321 123.201 2.120 1
1 539 . 3 1 1 A 40 40 GLY H H 40 8.596 8.847 -0.251 1
1 540 . 3 1 1 A 40 40 GLY HA2 H 40 3.528 3.310 0.218 1
1 541 . 3 1 1 A 40 40 GLY HA3 H 40 3.465 3.590 -0.125 1
1 542 . 3 1 1 A 40 40 GLY CA C 40 47.619 45.929 1.690 1
1 543 . 3 1 1 A 40 40 GLY N N 40 113.220 115.383 -2.163 1
1 544 . 3 1 1 A 41 41 GLU H H 41 7.870 8.601 -0.731 1
1 545 . 3 1 1 A 41 41 GLU HA H 41 3.717 3.993 -0.276 1
1 550 . 3 1 1 A 41 41 GLU C C 41 171.810 174.951 -3.141 1
1 551 . 3 1 1 A 41 41 GLU CA C 41 55.390 56.999 -1.609 1
1 552 . 3 1 1 A 41 41 GLU CB C 41 26.025 27.195 -1.170 1
1 554 . 3 1 1 A 41 41 GLU N N 41 128.227 116.991 11.236 1
1 555 . 3 1 1 A 42 42 GLU H H 42 7.158 7.707 -0.549 1
1 556 . 3 1 1 A 42 42 GLU HA H 42 4.811 4.494 0.317 1
1 561 . 3 1 1 A 42 42 GLU C C 42 175.680 174.473 1.207 1
1 562 . 3 1 1 A 42 42 GLU CA C 42 53.860 54.938 -1.078 1
1 563 . 3 1 1 A 42 42 GLU CB C 42 31.149 33.206 -2.057 1
1 565 . 3 1 1 A 42 42 GLU N N 42 116.880 119.912 -3.032 1
1 566 . 3 1 1 A 43 43 ILE H H 43 8.226 8.178 0.048 1
1 567 . 3 1 1 A 43 43 ILE HA H 43 4.934 5.305 -0.371 1
1 577 . 3 1 1 A 43 43 ILE C C 43 174.420 174.241 0.179 1
1 578 . 3 1 1 A 43 43 ILE CA C 43 59.250 60.211 -0.961 1
1 579 . 3 1 1 A 43 43 ILE CB C 43 43.278 41.413 1.865 1
1 583 . 3 1 1 A 43 43 ILE N N 43 125.120 124.517 0.603 1
1 584 . 3 1 1 A 44 44 TYR H H 44 9.318 8.941 0.377 1
1 585 . 3 1 1 A 44 44 TYR HA H 44 6.008 5.424 0.584 1
1 592 . 3 1 1 A 44 44 TYR C C 44 174.150 173.176 0.974 1
1 593 . 3 1 1 A 44 44 TYR CA C 44 55.740 56.224 -0.484 1
1 594 . 3 1 1 A 44 44 TYR CB C 44 42.606 41.371 1.235 1
1 597 . 3 1 1 A 44 44 TYR N N 44 124.370 122.829 1.541 1
1 598 . 3 1 1 A 45 45 PHE H H 45 8.211 8.916 -0.705 1
1 599 . 3 1 1 A 45 45 PHE HA H 45 5.088 5.736 -0.648 1
1 607 . 3 1 1 A 45 45 PHE C C 45 173.730 173.171 0.559 1
1 608 . 3 1 1 A 45 45 PHE CA C 45 55.140 55.529 -0.389 1
1 609 . 3 1 1 A 45 45 PHE CB C 45 40.793 42.707 -1.914 1
1 613 . 3 1 1 A 45 45 PHE N N 45 114.110 117.458 -3.348 1
1 614 . 3 1 1 A 46 46 SER H H 46 9.523 8.492 1.031 1
1 615 . 3 1 1 A 46 46 SER HA H 46 4.316 4.809 -0.493 1
1 618 . 3 1 1 A 46 46 SER C C 46 174.360 173.812 0.548 1
1 619 . 3 1 1 A 46 46 SER CA C 46 59.960 56.939 3.021 1
1 620 . 3 1 1 A 46 46 SER CB C 46 63.980 62.663 1.317 1
1 621 . 3 1 1 A 46 46 SER N N 46 117.150 117.537 -0.387 1
1 622 . 3 1 1 A 47 47 THR H H 47 8.225 8.261 -0.036 1
1 623 . 3 1 1 A 47 47 THR HA H 47 4.971 4.484 0.487 1
1 628 . 3 1 1 A 47 47 THR CA C 47 59.160 60.680 -1.520 1
1 629 . 3 1 1 A 47 47 THR CB C 47 70.385 68.914 1.471 1
1 631 . 3 1 1 A 47 47 THR N N 47 113.910 119.650 -5.740 1
1 632 . 3 1 1 A 48 48 PRO HA H 48 4.585 4.382 0.203 1
1 639 . 3 1 1 A 48 48 PRO C C 48 175.940 175.887 0.053 1
1 640 . 3 1 1 A 48 48 PRO CA C 48 62.410 63.609 -1.199 1
1 641 . 3 1 1 A 48 48 PRO CB C 48 31.770 31.922 -0.152 1
1 644 . 3 1 1 A 49 49 VAL H H 49 7.458 7.749 -0.291 1
1 645 . 3 1 1 A 49 49 VAL HA H 49 4.178 4.377 -0.199 1
1 653 . 3 1 1 A 49 49 VAL C C 49 174.070 175.138 -1.068 1
1 654 . 3 1 1 A 49 49 VAL CA C 49 60.840 60.779 0.061 1
1 655 . 3 1 1 A 49 49 VAL CB C 49 34.134 33.567 0.567 1
1 658 . 3 1 1 A 49 49 VAL N N 49 114.800 120.209 -5.409 1
1 659 . 3 1 1 A 50 50 ASN H H 50 8.897 8.991 -0.094 1
1 660 . 3 1 1 A 50 50 ASN HA H 50 4.684 5.241 -0.557 1
1 665 . 3 1 1 A 50 50 ASN C C 50 173.550 174.108 -0.558 1
1 666 . 3 1 1 A 50 50 ASN CA C 50 51.610 52.229 -0.619 1
1 667 . 3 1 1 A 50 50 ASN CB C 50 39.730 39.203 0.527 1
1 668 . 3 1 1 A 50 50 ASN N N 50 126.400 125.993 0.407 1
1 670 . 3 1 1 A 51 51 VAL H H 51 7.587 8.360 -0.773 1
1 671 . 3 1 1 A 51 51 VAL HA H 51 4.148 4.641 -0.493 1
1 679 . 3 1 1 A 51 51 VAL C C 51 174.350 175.360 -1.010 1
1 680 . 3 1 1 A 51 51 VAL CA C 51 61.280 61.609 -0.329 1
1 681 . 3 1 1 A 51 51 VAL CB C 51 35.206 33.590 1.616 1
1 684 . 3 1 1 A 51 51 VAL N N 51 122.670 123.374 -0.704 1
1 685 . 3 1 1 A 52 52 GLN H H 52 8.337 8.979 -0.642 1
1 686 . 3 1 1 A 52 52 GLN HA H 52 4.094 4.697 -0.603 1
1 693 . 3 1 1 A 52 52 GLN C C 52 176.240 174.436 1.804 1
1 694 . 3 1 1 A 52 52 GLN CA C 52 56.560 55.046 1.514 1
1 695 . 3 1 1 A 52 52 GLN CB C 52 29.745 29.049 0.696 1
1 697 . 3 1 1 A 52 52 GLN N N 52 122.670 126.519 -3.849 1
1 699 . 3 1 1 A 53 53 LYS H H 53 7.363 7.442 -0.079 1
1 700 . 3 1 1 A 53 53 LYS HA H 53 3.994 5.287 -1.293 1
1 709 . 3 1 1 A 53 53 LYS C C 53 176.010 174.180 1.830 1
1 710 . 3 1 1 A 53 53 LYS CA C 53 56.960 54.830 2.130 1
1 711 . 3 1 1 A 53 53 LYS CB C 53 33.000 36.302 -3.302 1
1 715 . 3 1 1 A 53 53 LYS N N 53 119.940 121.419 -1.479 1
1 716 . 3 1 1 A 54 54 MET H H 54 8.797 8.651 0.146 1
1 717 . 3 1 1 A 54 54 MET HA H 54 4.449 5.118 -0.669 1
1 725 . 3 1 1 A 54 54 MET C C 54 174.630 175.441 -0.811 1
1 726 . 3 1 1 A 54 54 MET CA C 54 54.530 54.214 0.316 1
1 727 . 3 1 1 A 54 54 MET CB C 54 36.912 35.129 1.783 1
1 730 . 3 1 1 A 54 54 MET N N 54 124.720 122.279 2.441 1
1 731 . 3 1 1 A 55 55 GLU H H 55 9.773 8.653 1.120 1
1 732 . 3 1 1 A 55 55 GLU HA H 55 4.029 4.431 -0.402 1
1 737 . 3 1 1 A 55 55 GLU C C 55 176.930 177.061 -0.131 1
1 738 . 3 1 1 A 55 55 GLU CA C 55 59.910 58.084 1.826 1
1 739 . 3 1 1 A 55 55 GLU CB C 55 29.611 31.123 -1.512 1
1 741 . 3 1 1 A 55 55 GLU N N 55 124.250 122.180 2.070 1
1 742 . 3 1 1 A 56 56 ASN H H 56 8.371 7.776 0.595 1
1 743 . 3 1 1 A 56 56 ASN HA H 56 5.163 5.179 -0.016 1
1 748 . 3 1 1 A 56 56 ASN CA C 56 50.680 50.416 0.264 1
1 749 . 3 1 1 A 56 56 ASN CB C 56 39.563 38.967 0.596 1
1 750 . 3 1 1 A 56 56 ASN N N 56 115.600 118.985 -3.385 1
1 752 . 3 1 1 A 57 57 PRO HA H 57 4.854 4.890 -0.036 1
1 759 . 3 1 1 A 57 57 PRO C C 57 178.760 175.913 2.847 1
1 760 . 3 1 1 A 57 57 PRO CA C 57 62.630 62.763 -0.133 1
1 761 . 3 1 1 A 57 57 PRO CB C 57 32.197 31.733 0.464 1
1 764 . 3 1 1 A 58 58 ARG H H 58 9.448 9.028 0.420 1
1 765 . 3 1 1 A 58 58 ARG HA H 58 4.636 4.784 -0.148 1
1 773 . 3 1 1 A 58 58 ARG C C 58 175.430 175.849 -0.419 1
1 774 . 3 1 1 A 58 58 ARG CA C 58 54.210 54.611 -0.401 1
1 775 . 3 1 1 A 58 58 ARG CB C 58 34.208 33.270 0.938 1
1 778 . 3 1 1 A 58 58 ARG N N 58 122.690 124.641 -1.951 1
1 780 . 3 1 1 A 59 59 GLU H H 59 8.694 8.718 -0.024 1
1 781 . 3 1 1 A 59 59 GLU HA H 59 4.096 4.476 -0.380 1
1 786 . 3 1 1 A 59 59 GLU C C 59 175.210 175.982 -0.772 1
1 787 . 3 1 1 A 59 59 GLU CA C 59 56.470 56.831 -0.361 1
1 788 . 3 1 1 A 59 59 GLU CB C 59 31.074 30.394 0.680 1
1 790 . 3 1 1 A 59 59 GLU N N 59 119.520 123.569 -4.049 1
1 791 . 3 1 1 A 60 60 VAL H H 60 7.296 7.471 -0.175 1
1 792 . 3 1 1 A 60 60 VAL HA H 60 4.471 4.541 -0.070 1
1 800 . 3 1 1 A 60 60 VAL C C 60 174.900 173.549 1.351 1
1 801 . 3 1 1 A 60 60 VAL CA C 60 61.058 60.383 0.675 1
1 802 . 3 1 1 A 60 60 VAL CB C 60 35.056 34.468 0.588 1
1 805 . 3 1 1 A 60 60 VAL N N 60 117.380 117.200 0.180 1
1 806 . 3 1 1 A 61 61 VAL H H 61 8.064 8.436 -0.372 1
1 807 . 3 1 1 A 61 61 VAL HA H 61 4.540 4.898 -0.358 1
1 815 . 3 1 1 A 61 61 VAL C C 61 172.880 174.768 -1.888 1
1 816 . 3 1 1 A 61 61 VAL CA C 61 58.820 58.840 -0.020 1
1 817 . 3 1 1 A 61 61 VAL CB C 61 33.464 35.730 -2.266 1
1 820 . 3 1 1 A 61 61 VAL N N 61 117.630 120.565 -2.935 1
1 821 . 3 1 1 A 62 62 GLU H H 62 8.620 8.990 -0.370 1
1 822 . 3 1 1 A 62 62 GLU HA H 62 4.543 4.527 0.016 1
1 827 . 3 1 1 A 62 62 GLU C C 62 176.350 178.342 -1.992 1
1 828 . 3 1 1 A 62 62 GLU CA C 62 53.640 54.902 -1.262 1
1 829 . 3 1 1 A 62 62 GLU CB C 62 32.360 31.245 1.115 1
1 831 . 3 1 1 A 62 62 GLU N N 62 118.060 120.121 -2.061 1
1 832 . 3 1 1 A 63 63 ILE H H 63 8.520 8.566 -0.046 1
1 833 . 3 1 1 A 63 63 ILE HA H 63 3.275 3.990 -0.715 1
1 843 . 3 1 1 A 63 63 ILE C C 63 177.940 177.114 0.826 1
1 844 . 3 1 1 A 63 63 ILE CA C 63 64.410 64.194 0.216 1
1 845 . 3 1 1 A 63 63 ILE CB C 63 37.674 37.718 -0.044 1
1 849 . 3 1 1 A 63 63 ILE N N 63 120.310 122.637 -2.327 1
1 850 . 3 1 1 A 64 64 GLY H H 64 9.091 7.866 1.225 1
1 851 . 3 1 1 A 64 64 GLY HA2 H 64 3.563 4.130 -0.567 1
1 852 . 3 1 1 A 64 64 GLY HA3 H 64 4.774 4.171 0.603 1
1 853 . 3 1 1 A 64 64 GLY C C 64 173.290 173.426 -0.136 1
1 854 . 3 1 1 A 64 64 GLY CA C 64 45.359 45.591 -0.232 1
1 855 . 3 1 1 A 64 64 GLY N N 64 116.340 109.857 6.483 1
1 856 . 3 1 1 A 65 65 ASP H H 65 8.335 7.432 0.903 1
1 857 . 3 1 1 A 65 65 ASP HA H 65 4.914 5.164 -0.250 1
1 860 . 3 1 1 A 65 65 ASP C C 65 175.180 175.049 0.131 1
1 861 . 3 1 1 A 65 65 ASP CA C 65 56.630 53.534 3.096 1
1 862 . 3 1 1 A 65 65 ASP CB C 65 41.980 43.205 -1.225 1
1 863 . 3 1 1 A 65 65 ASP N N 65 121.610 119.930 1.680 1
1 864 . 3 1 1 A 66 66 VAL H H 66 7.580 8.548 -0.968 1
1 865 . 3 1 1 A 66 66 VAL HA H 66 5.085 5.013 0.072 1
1 873 . 3 1 1 A 66 66 VAL C C 66 176.170 175.511 0.659 1
1 874 . 3 1 1 A 66 66 VAL CA C 66 60.240 60.943 -0.703 1
1 875 . 3 1 1 A 66 66 VAL CB C 66 33.783 35.912 -2.129 1
1 878 . 3 1 1 A 66 66 VAL N N 66 117.330 119.609 -2.279 1
1 879 . 3 1 1 A 67 67 GLY H H 67 9.592 9.050 0.542 1
1 880 . 3 1 1 A 67 67 GLY HA2 H 67 5.899 4.353 1.546 1
1 881 . 3 1 1 A 67 67 GLY HA3 H 67 3.200 4.474 -1.274 1
1 882 . 3 1 1 A 67 67 GLY C C 67 171.740 171.874 -0.134 1
1 883 . 3 1 1 A 67 67 GLY CA C 67 43.580 44.592 -1.012 1
1 884 . 3 1 1 A 67 67 GLY N N 67 111.440 115.094 -3.654 1
1 885 . 3 1 1 A 68 68 TYR H H 68 9.146 8.401 0.745 1
1 886 . 3 1 1 A 68 68 TYR HA H 68 5.809 5.159 0.650 1
1 889 . 3 1 1 A 68 68 TYR C C 68 173.860 174.105 -0.245 1
1 890 . 3 1 1 A 68 68 TYR CA C 68 55.900 56.856 -0.956 1
1 891 . 3 1 1 A 68 68 TYR CB C 68 42.170 41.645 0.525 1
1 892 . 3 1 1 A 68 68 TYR N N 68 119.980 122.772 -2.792 1
1 893 . 3 1 1 A 69 69 TRP H H 69 9.213 8.298 0.915 1
1 894 . 3 1 1 A 69 69 TRP HA H 69 5.268 5.074 0.194 1
1 902 . 3 1 1 A 69 69 TRP CA C 69 53.390 55.116 -1.726 1
1 903 . 3 1 1 A 69 69 TRP CB C 69 30.442 30.143 0.299 1
1 908 . 3 1 1 A 69 69 TRP N N 69 132.150 129.319 2.831 1
1 910 . 3 1 1 A 70 70 PRO HA H 70 3.923 4.428 -0.505 1
1 917 . 3 1 1 A 70 70 PRO CA C 70 66.753 64.958 1.795 1
1 918 . 3 1 1 A 70 70 PRO CB C 70 30.054 32.072 -2.018 1
1 921 . 3 1 1 A 71 71 PRO HA H 71 3.716 4.152 -0.436 1
1 928 . 3 1 1 A 71 71 PRO CA C 71 65.803 64.427 1.376 1
1 929 . 3 1 1 A 71 71 PRO CB C 71 30.620 31.201 -0.581 1
1 932 . 3 1 1 A 72 72 GLY HA2 H 72 3.168 3.673 -0.505 1
1 933 . 3 1 1 A 72 72 GLY HA3 H 72 4.271 3.832 0.439 1
1 934 . 3 1 1 A 72 72 GLY C C 72 173.220 173.696 -0.476 1
1 935 . 3 1 1 A 72 72 GLY CA C 72 44.350 44.937 -0.587 1
1 936 . 3 1 1 A 73 73 LYS H H 73 7.989 7.493 0.496 1
1 937 . 3 1 1 A 73 73 LYS HA H 73 3.566 3.674 -0.108 1
1 946 . 3 1 1 A 73 73 LYS C C 73 177.420 174.630 2.790 1
1 947 . 3 1 1 A 73 73 LYS CA C 73 57.790 57.023 0.767 1
1 948 . 3 1 1 A 73 73 LYS CB C 73 29.398 29.387 0.011 1
1 952 . 3 1 1 A 73 73 LYS N N 73 121.515 115.720 5.795 1
1 953 . 3 1 1 A 74 74 ALA H H 74 6.969 7.269 -0.300 1
1 954 . 3 1 1 A 74 74 ALA HA H 74 5.123 5.136 -0.013 1
1 958 . 3 1 1 A 74 74 ALA C C 74 177.490 175.253 2.237 1
1 959 . 3 1 1 A 74 74 ALA CA C 74 51.900 50.095 1.805 1
1 960 . 3 1 1 A 74 74 ALA CB C 74 23.090 23.048 0.042 1
1 961 . 3 1 1 A 74 74 ALA N N 74 118.780 118.932 -0.152 1
1 962 . 3 1 1 A 75 75 LEU H H 75 8.032 7.785 0.247 1
1 963 . 3 1 1 A 75 75 LEU HA H 75 4.844 4.333 0.511 1
1 973 . 3 1 1 A 75 75 LEU C C 75 175.540 175.399 0.141 1
1 974 . 3 1 1 A 75 75 LEU CA C 75 54.000 53.624 0.376 1
1 975 . 3 1 1 A 75 75 LEU CB C 75 43.858 43.258 0.600 1
1 979 . 3 1 1 A 75 75 LEU N N 75 122.780 120.741 2.039 1
1 980 . 3 1 1 A 76 76 CYS H H 76 8.813 8.175 0.638 1
1 981 . 3 1 1 A 76 76 CYS HA H 76 5.178 4.975 0.203 1
1 984 . 3 1 1 A 76 76 CYS C C 76 173.080 172.832 0.248 1
1 985 . 3 1 1 A 76 76 CYS CA C 76 55.850 58.495 -2.645 1
1 986 . 3 1 1 A 76 76 CYS CB C 76 31.922 29.685 2.237 1
1 987 . 3 1 1 A 76 76 CYS N N 76 117.950 121.211 -3.261 1
1 988 . 3 1 1 A 77 77 LEU H H 77 9.621 9.091 0.530 1
1 989 . 3 1 1 A 77 77 LEU HA H 77 4.741 4.918 -0.177 1
1 999 . 3 1 1 A 77 77 LEU C C 77 175.040 176.073 -1.033 1
1 1000 . 3 1 1 A 77 77 LEU CA C 77 53.510 53.572 -0.062 1
1 1001 . 3 1 1 A 77 77 LEU CB C 77 44.058 42.099 1.959 1
1 1005 . 3 1 1 A 77 77 LEU N N 77 123.140 126.713 -3.573 1
1 1006 . 3 1 1 A 78 78 PHE H H 78 7.930 8.505 -0.575 1
1 1007 . 3 1 1 A 78 78 PHE HA H 78 4.809 4.687 0.122 1
1 1015 . 3 1 1 A 78 78 PHE C C 78 174.830 176.510 -1.680 1
1 1016 . 3 1 1 A 78 78 PHE CA C 78 58.140 57.969 0.171 1
1 1017 . 3 1 1 A 78 78 PHE CB C 78 39.603 40.364 -0.761 1
1 1021 . 3 1 1 A 78 78 PHE N N 78 120.120 125.705 -5.585 1
1 1022 . 3 1 1 A 79 79 PHE H H 79 8.038 8.425 -0.387 1
1 1023 . 3 1 1 A 79 79 PHE HA H 79 5.029 5.189 -0.160 1
1 1031 . 3 1 1 A 79 79 PHE C C 79 172.070 175.050 -2.980 1
1 1032 . 3 1 1 A 79 79 PHE CA C 79 55.630 56.687 -1.057 1
1 1033 . 3 1 1 A 79 79 PHE CB C 79 39.003 40.755 -1.752 1
1 1037 . 3 1 1 A 79 79 PHE N N 79 119.040 118.221 0.819 1
1 1038 . 3 1 1 A 80 80 GLY H H 80 7.489 7.494 -0.005 1
1 1039 . 3 1 1 A 80 80 GLY HA2 H 80 3.653 4.071 -0.418 1
1 1040 . 3 1 1 A 80 80 GLY HA3 H 80 4.283 4.182 0.101 1
1 1041 . 3 1 1 A 80 80 GLY C C 80 170.830 171.469 -0.639 1
1 1042 . 3 1 1 A 80 80 GLY CA C 80 45.342 46.175 -0.833 1
1 1043 . 3 1 1 A 80 80 GLY N N 80 110.010 108.399 1.611 1
1 1044 . 3 1 1 A 81 81 LYS H H 81 8.186 8.294 -0.108 1
1 1045 . 3 1 1 A 81 81 LYS HA H 81 4.003 4.870 -0.867 1
1 1054 . 3 1 1 A 81 81 LYS C C 81 177.530 175.163 2.367 1
1 1055 . 3 1 1 A 81 81 LYS CA C 81 57.730 55.062 2.668 1
1 1056 . 3 1 1 A 81 81 LYS CB C 81 33.293 35.470 -2.177 1
1 1060 . 3 1 1 A 81 81 LYS N N 81 117.260 123.000 -5.740 1
1 1061 . 3 1 1 A 82 82 THR H H 82 8.076 8.758 -0.682 1
1 1062 . 3 1 1 A 82 82 THR HA H 82 4.423 4.530 -0.107 1
1 1067 . 3 1 1 A 82 82 THR CA C 82 59.230 60.442 -1.212 1
1 1068 . 3 1 1 A 82 82 THR CB C 82 68.310 68.447 -0.137 1
1 1070 . 3 1 1 A 82 82 THR N N 82 113.611 117.260 -3.649 1
1 1071 . 3 1 1 A 83 83 PRO HA H 83 4.090 4.436 -0.346 1
1 1078 . 3 1 1 A 83 83 PRO CA C 83 63.743 63.949 -0.206 1
1 1079 . 3 1 1 A 83 83 PRO CB C 83 32.167 31.611 0.556 1
1 1082 . 3 1 1 A 84 84 MET HA H 84 4.220 4.503 -0.283 1
1 1090 . 3 1 1 A 84 84 MET C C 84 175.920 175.935 -0.015 1
1 1091 . 3 1 1 A 84 84 MET CA C 84 55.880 57.115 -1.235 1
1 1092 . 3 1 1 A 84 84 MET CB C 84 33.070 32.743 0.327 1
1 1095 . 3 1 1 A 85 85 SER H H 85 7.256 7.196 0.060 1
1 1096 . 3 1 1 A 85 85 SER HA H 85 4.401 4.803 -0.402 1
1 1099 . 3 1 1 A 85 85 SER C C 85 173.380 172.825 0.555 1
1 1100 . 3 1 1 A 85 85 SER CA C 85 58.230 56.047 2.183 1
1 1101 . 3 1 1 A 85 85 SER CB C 85 64.290 65.420 -1.130 1
1 1102 . 3 1 1 A 85 85 SER N N 85 111.370 114.370 -3.000 1
1 1103 . 3 1 1 A 86 86 ASP H H 86 8.517 8.846 -0.329 1
1 1104 . 3 1 1 A 86 86 ASP HA H 86 4.692 4.791 -0.099 1
1 1107 . 3 1 1 A 86 86 ASP C C 86 175.860 177.343 -1.483 1
1 1108 . 3 1 1 A 86 86 ASP CA C 86 54.150 55.487 -1.337 1
1 1109 . 3 1 1 A 86 86 ASP CB C 86 41.360 43.551 -2.191 1
1 1110 . 3 1 1 A 86 86 ASP N N 86 123.320 122.834 0.486 1
1 1111 . 3 1 1 A 87 87 ASP H H 87 8.412 8.440 -0.028 1
1 1112 . 3 1 1 A 87 87 ASP HA H 87 4.529 4.539 -0.010 1
1 1115 . 3 1 1 A 87 87 ASP C C 87 175.270 176.662 -1.392 1
1 1116 . 3 1 1 A 87 87 ASP CA C 87 54.870 56.434 -1.564 1
1 1117 . 3 1 1 A 87 87 ASP CB C 87 41.580 41.469 0.111 1
1 1118 . 3 1 1 A 87 87 ASP N N 87 118.900 118.890 0.010 1
1 1119 . 3 1 1 A 88 88 LYS H H 88 7.869 7.176 0.693 1
1 1120 . 3 1 1 A 88 88 LYS HA H 88 4.372 4.681 -0.309 1
1 1129 . 3 1 1 A 88 88 LYS C C 88 174.870 175.095 -0.225 1
1 1130 . 3 1 1 A 88 88 LYS CA C 88 54.580 54.536 0.044 1
1 1131 . 3 1 1 A 88 88 LYS CB C 88 34.047 34.027 0.020 1
1 1135 . 3 1 1 A 88 88 LYS N N 88 118.310 113.107 5.203 1
1 1136 . 3 1 1 A 89 89 ILE H H 89 8.604 8.482 0.122 1
1 1137 . 3 1 1 A 89 89 ILE HA H 89 3.873 4.425 -0.552 1
1 1147 . 3 1 1 A 89 89 ILE C C 89 174.480 175.088 -0.608 1
1 1148 . 3 1 1 A 89 89 ILE CA C 89 61.890 60.634 1.256 1
1 1149 . 3 1 1 A 89 89 ILE CB C 89 36.398 37.611 -1.213 1
1 1153 . 3 1 1 A 89 89 ILE N N 89 121.510 120.595 0.915 1
1 1154 . 3 1 1 A 90 90 GLN H H 90 8.015 8.512 -0.497 1
1 1155 . 3 1 1 A 90 90 GLN HA H 90 5.033 4.620 0.413 1
1 1162 . 3 1 1 A 90 90 GLN CA C 90 52.110 53.912 -1.802 1
1 1163 . 3 1 1 A 90 90 GLN CB C 90 32.045 28.223 3.822 1
1 1165 . 3 1 1 A 90 90 GLN N N 90 126.430 125.514 0.916 1
1 1167 . 3 1 1 A 91 91 PRO HA H 91 4.508 4.901 -0.393 1
1 1174 . 3 1 1 A 91 91 PRO C C 91 175.210 176.851 -1.641 1
1 1175 . 3 1 1 A 91 91 PRO CA C 91 61.680 62.565 -0.885 1
1 1176 . 3 1 1 A 91 91 PRO CB C 91 32.854 33.285 -0.431 1
1 1179 . 3 1 1 A 92 92 ALA H H 92 8.014 8.595 -0.581 1
1 1180 . 3 1 1 A 92 92 ALA HA H 92 3.931 4.327 -0.396 1
1 1184 . 3 1 1 A 92 92 ALA CA C 92 55.270 53.911 1.359 1
1 1185 . 3 1 1 A 92 92 ALA CB C 92 18.838 19.220 -0.382 1
1 1186 . 3 1 1 A 92 92 ALA N N 92 121.420 121.647 -0.227 1
1 1187 . 3 1 1 A 93 93 SER H H 93 7.391 7.825 -0.434 1
1 1188 . 3 1 1 A 93 93 SER HA H 93 4.223 4.651 -0.428 1
1 1191 . 3 1 1 A 93 93 SER C C 93 171.670 172.641 -0.971 1
1 1192 . 3 1 1 A 93 93 SER CA C 93 57.240 56.305 0.935 1
1 1193 . 3 1 1 A 93 93 SER CB C 93 63.620 64.822 -1.202 1
1 1194 . 3 1 1 A 93 93 SER N N 93 105.210 111.499 -6.289 1
1 1195 . 3 1 1 A 94 94 ALA H H 94 8.276 8.471 -0.195 1
1 1196 . 3 1 1 A 94 94 ALA HA H 94 4.113 4.453 -0.340 1
1 1200 . 3 1 1 A 94 94 ALA C C 94 177.150 177.025 0.125 1
1 1201 . 3 1 1 A 94 94 ALA CA C 94 53.810 52.215 1.595 1
1 1202 . 3 1 1 A 94 94 ALA CB C 94 19.219 18.810 0.409 1
1 1203 . 3 1 1 A 94 94 ALA N N 94 117.972 124.573 -6.601 1
1 1204 . 3 1 1 A 95 95 VAL H H 95 7.886 8.264 -0.378 1
1 1205 . 3 1 1 A 95 95 VAL HA H 95 5.037 4.917 0.120 1
1 1213 . 3 1 1 A 95 95 VAL C C 95 174.060 174.238 -0.178 1
1 1214 . 3 1 1 A 95 95 VAL CA C 95 57.510 60.209 -2.699 1
1 1215 . 3 1 1 A 95 95 VAL CB C 95 35.106 33.854 1.252 1
1 1218 . 3 1 1 A 95 95 VAL N N 95 108.410 119.280 -10.870 1
1 1219 . 3 1 1 A 96 96 ASN H H 96 9.178 8.830 0.348 1
1 1220 . 3 1 1 A 96 96 ASN HA H 96 4.897 5.490 -0.593 1
1 1225 . 3 1 1 A 96 96 ASN C C 96 176.600 173.989 2.611 1
1 1226 . 3 1 1 A 96 96 ASN CA C 96 50.790 51.535 -0.745 1
1 1227 . 3 1 1 A 96 96 ASN CB C 96 39.637 41.611 -1.974 1
1 1228 . 3 1 1 A 96 96 ASN N N 96 121.250 120.235 1.015 1
1 1230 . 3 1 1 A 97 97 VAL H H 97 8.503 8.409 0.094 1
1 1231 . 3 1 1 A 97 97 VAL HA H 97 4.421 4.366 0.055 1
1 1239 . 3 1 1 A 97 97 VAL C C 97 176.450 176.572 -0.122 1
1 1240 . 3 1 1 A 97 97 VAL CA C 97 66.030 61.831 4.199 1
1 1241 . 3 1 1 A 97 97 VAL CB C 97 30.552 29.056 1.496 1
1 1244 . 3 1 1 A 97 97 VAL N N 97 129.670 126.267 3.403 1
1 1245 . 3 1 1 A 98 98 ILE H H 98 8.129 7.947 0.182 1
1 1246 . 3 1 1 A 98 98 ILE HA H 98 4.628 3.998 0.630 1
1 1256 . 3 1 1 A 98 98 ILE C C 98 174.270 176.275 -2.005 1
1 1257 . 3 1 1 A 98 98 ILE CA C 98 61.240 62.701 -1.461 1
1 1258 . 3 1 1 A 98 98 ILE CB C 98 39.812 37.787 2.025 1
1 1262 . 3 1 1 A 98 98 ILE N N 98 119.500 120.077 -0.577 1
1 1263 . 3 1 1 A 99 99 GLY H H 99 7.668 7.488 0.180 1
1 1264 . 3 1 1 A 99 99 GLY HA2 H 99 4.435 4.188 0.247 1
1 1265 . 3 1 1 A 99 99 GLY HA3 H 99 4.637 4.192 0.445 1
1 1266 . 3 1 1 A 99 99 GLY C C 99 172.410 172.115 0.295 1
1 1267 . 3 1 1 A 99 99 GLY CA C 99 46.906 44.210 2.696 1
1 1268 . 3 1 1 A 99 99 GLY N N 99 107.230 110.951 -3.721 1
1 1269 . 3 1 1 A 100 100 LYS H H 100 8.347 8.751 -0.404 1
1 1270 . 3 1 1 A 100 100 LYS HA H 100 5.540 5.069 0.471 1
1 1279 . 3 1 1 A 100 100 LYS C C 100 175.740 174.675 1.065 1
1 1280 . 3 1 1 A 100 100 LYS CA C 100 54.150 54.968 -0.818 1
1 1281 . 3 1 1 A 100 100 LYS CB C 100 37.900 36.168 1.732 1
1 1285 . 3 1 1 A 100 100 LYS N N 100 119.730 121.408 -1.678 1
1 1286 . 3 1 1 A 101 101 ILE H H 101 9.542 9.068 0.474 1
1 1287 . 3 1 1 A 101 101 ILE HA H 101 4.184 4.242 -0.058 1
1 1297 . 3 1 1 A 101 101 ILE C C 101 176.010 176.217 -0.207 1
1 1298 . 3 1 1 A 101 101 ILE CA C 101 62.940 61.577 1.363 1
1 1299 . 3 1 1 A 101 101 ILE CB C 101 39.212 36.890 2.322 1
1 1303 . 3 1 1 A 101 101 ILE N N 101 124.050 127.420 -3.370 1
1 1304 . 3 1 1 A 102 102 VAL H H 102 8.728 8.676 0.052 1
1 1305 . 3 1 1 A 102 102 VAL HA H 102 4.591 4.272 0.319 1
1 1313 . 3 1 1 A 102 102 VAL C C 102 175.730 175.472 0.258 1
1 1314 . 3 1 1 A 102 102 VAL CA C 102 62.030 63.534 -1.504 1
1 1315 . 3 1 1 A 102 102 VAL CB C 102 33.307 32.994 0.313 1
1 1318 . 3 1 1 A 102 102 VAL N N 102 121.420 129.311 -7.891 1
1 1319 . 3 1 1 A 103 103 GLU H H 103 7.912 7.596 0.316 1
1 1320 . 3 1 1 A 103 103 GLU HA H 103 4.661 4.557 0.104 1
1 1325 . 3 1 1 A 103 103 GLU C C 103 176.520 175.953 0.567 1
1 1326 . 3 1 1 A 103 103 GLU CA C 103 56.550 55.377 1.173 1
1 1327 . 3 1 1 A 103 103 GLU CB C 103 34.180 33.650 0.530 1
1 1329 . 3 1 1 A 103 103 GLU N N 103 120.750 119.548 1.202 1
1 1330 . 3 1 1 A 104 104 GLY H H 104 8.934 8.739 0.195 1
1 1331 . 3 1 1 A 104 104 GLY HA2 H 104 3.932 4.039 -0.107 1
1 1332 . 3 1 1 A 104 104 GLY HA3 H 104 4.345 4.055 0.290 1
1 1333 . 3 1 1 A 104 104 GLY C C 104 175.230 175.364 -0.134 1
1 1334 . 3 1 1 A 104 104 GLY CA C 104 46.616 46.240 0.376 1
1 1335 . 3 1 1 A 104 104 GLY N N 104 111.140 110.997 0.143 1
1 1336 . 3 1 1 A 105 105 LEU H H 105 8.158 7.859 0.299 1
1 1337 . 3 1 1 A 105 105 LEU HA H 105 3.702 3.890 -0.188 1
1 1347 . 3 1 1 A 105 105 LEU C C 105 179.250 178.519 0.731 1
1 1348 . 3 1 1 A 105 105 LEU CA C 105 59.400 57.847 1.553 1
1 1349 . 3 1 1 A 105 105 LEU CB C 105 42.743 42.090 0.653 1
1 1353 . 3 1 1 A 105 105 LEU N N 105 121.390 122.225 -0.835 1
1 1354 . 3 1 1 A 106 106 GLU H H 106 8.944 8.142 0.802 1
1 1355 . 3 1 1 A 106 106 GLU HA H 106 3.978 4.098 -0.120 1
1 1360 . 3 1 1 A 106 106 GLU C C 106 178.120 177.917 0.203 1
1 1361 . 3 1 1 A 106 106 GLU CA C 106 58.720 59.544 -0.824 1
1 1362 . 3 1 1 A 106 106 GLU CB C 106 28.920 29.040 -0.120 1
1 1364 . 3 1 1 A 106 106 GLU N N 106 113.860 118.146 -4.286 1
1 1365 . 3 1 1 A 107 107 ASP H H 107 7.538 7.968 -0.430 1
1 1366 . 3 1 1 A 107 107 ASP HA H 107 4.344 4.466 -0.122 1
1 1369 . 3 1 1 A 107 107 ASP C C 107 178.190 177.674 0.516 1
1 1370 . 3 1 1 A 107 107 ASP CA C 107 55.780 56.117 -0.337 1
1 1371 . 3 1 1 A 107 107 ASP CB C 107 41.191 40.483 0.708 1
1 1372 . 3 1 1 A 107 107 ASP N N 107 119.620 119.314 0.306 1
1 1373 . 3 1 1 A 108 108 LEU H H 108 7.115 7.360 -0.245 1
1 1374 . 3 1 1 A 108 108 LEU HA H 108 3.357 3.775 -0.418 1
1 1384 . 3 1 1 A 108 108 LEU C C 108 177.920 179.292 -1.372 1
1 1385 . 3 1 1 A 108 108 LEU CA C 108 57.000 56.797 0.203 1
1 1386 . 3 1 1 A 108 108 LEU CB C 108 38.445 40.862 -2.417 1
1 1390 . 3 1 1 A 108 108 LEU N N 108 117.551 118.424 -0.873 1
1 1391 . 3 1 1 A 109 109 LYS H H 109 7.179 7.738 -0.559 1
1 1392 . 3 1 1 A 109 109 LYS HA H 109 3.879 4.026 -0.147 1
1 1401 . 3 1 1 A 109 109 LYS C C 109 176.650 178.161 -1.511 1
1 1402 . 3 1 1 A 109 109 LYS CA C 109 57.792 58.969 -1.177 1
1 1403 . 3 1 1 A 109 109 LYS CB C 109 32.184 31.803 0.381 1
1 1407 . 3 1 1 A 109 109 LYS N N 109 115.080 118.036 -2.956 1
1 1408 . 3 1 1 A 110 110 LYS H H 110 7.364 7.965 -0.601 1
1 1409 . 3 1 1 A 110 110 LYS HA H 110 4.016 4.292 -0.276 1
1 1418 . 3 1 1 A 110 110 LYS C C 110 175.890 175.736 0.154 1
1 1419 . 3 1 1 A 110 110 LYS CA C 110 56.550 56.843 -0.293 1
1 1420 . 3 1 1 A 110 110 LYS CB C 110 32.972 32.075 0.897 1
1 1424 . 3 1 1 A 110 110 LYS N N 110 116.720 114.084 2.636 1
1 1425 . 3 1 1 A 111 111 ILE H H 111 6.626 7.172 -0.546 1
1 1426 . 3 1 1 A 111 111 ILE HA H 111 3.531 4.467 -0.936 1
1 1436 . 3 1 1 A 111 111 ILE C C 111 176.180 175.412 0.768 1
1 1437 . 3 1 1 A 111 111 ILE CA C 111 59.950 59.468 0.482 1
1 1438 . 3 1 1 A 111 111 ILE CB C 111 34.946 40.259 -5.313 1
1 1442 . 3 1 1 A 111 111 ILE N N 111 117.000 121.332 -4.332 1
1 1443 . 3 1 1 A 112 112 LYS H H 112 8.388 8.729 -0.341 1
1 1444 . 3 1 1 A 112 112 LYS HA H 112 4.356 4.550 -0.194 1
1 1453 . 3 1 1 A 112 112 LYS C C 112 175.750 176.929 -1.179 1
1 1454 . 3 1 1 A 112 112 LYS CA C 112 54.430 55.221 -0.791 1
1 1455 . 3 1 1 A 112 112 LYS CB C 112 33.936 33.585 0.351 1
1 1459 . 3 1 1 A 112 112 LYS N N 112 128.240 124.042 4.198 1
1 1460 . 3 1 1 A 113 113 ASP H H 113 8.103 8.655 -0.552 1
1 1461 . 3 1 1 A 113 113 ASP HA H 113 4.026 4.620 -0.594 1
1 1464 . 3 1 1 A 113 113 ASP C C 113 177.630 176.388 1.242 1
1 1465 . 3 1 1 A 113 113 ASP CA C 113 56.660 53.426 3.234 1
1 1466 . 3 1 1 A 113 113 ASP CB C 113 42.033 39.767 2.266 1
1 1467 . 3 1 1 A 113 113 ASP N N 113 119.040 121.874 -2.834 1
1 1468 . 3 1 1 A 114 114 GLY H H 114 8.635 7.688 0.947 1
1 1469 . 3 1 1 A 114 114 GLY HA2 H 114 3.547 4.007 -0.460 1
1 1470 . 3 1 1 A 114 114 GLY HA3 H 114 4.229 4.016 0.213 1
1 1471 . 3 1 1 A 114 114 GLY C C 114 174.640 175.807 -1.167 1
1 1472 . 3 1 1 A 114 114 GLY CA C 114 45.403 45.435 -0.032 1
1 1473 . 3 1 1 A 114 114 GLY N N 114 113.170 106.040 7.130 1
1 1474 . 3 1 1 A 115 115 GLU H H 115 7.346 8.181 -0.835 1
1 1475 . 3 1 1 A 115 115 GLU HA H 115 4.113 4.410 -0.297 1
1 1480 . 3 1 1 A 115 115 GLU C C 115 175.840 176.210 -0.370 1
1 1481 . 3 1 1 A 115 115 GLU CA C 115 58.180 56.149 2.031 1
1 1482 . 3 1 1 A 115 115 GLU CB C 115 30.902 29.525 1.377 1
1 1484 . 3 1 1 A 115 115 GLU N N 115 119.440 119.123 0.317 1
1 1485 . 3 1 1 A 116 116 LYS H H 116 9.107 7.999 1.108 1
1 1486 . 3 1 1 A 116 116 LYS HA H 116 4.529 4.350 0.179 1
1 1495 . 3 1 1 A 116 116 LYS C C 116 176.050 174.528 1.522 1
1 1496 . 3 1 1 A 116 116 LYS CA C 116 56.820 58.351 -1.531 1
1 1497 . 3 1 1 A 116 116 LYS CB C 116 33.358 31.814 1.544 1
1 1501 . 3 1 1 A 116 116 LYS N N 116 121.800 119.026 2.774 1
1 1502 . 3 1 1 A 117 117 VAL H H 117 7.860 8.372 -0.512 1
1 1503 . 3 1 1 A 117 117 VAL HA H 117 4.668 5.127 -0.459 1
1 1511 . 3 1 1 A 117 117 VAL C C 117 171.630 173.392 -1.762 1
1 1512 . 3 1 1 A 117 117 VAL CA C 117 57.440 59.153 -1.713 1
1 1513 . 3 1 1 A 117 117 VAL CB C 117 34.614 35.549 -0.935 1
1 1516 . 3 1 1 A 117 117 VAL N N 117 118.940 123.353 -4.413 1
1 1517 . 3 1 1 A 118 118 ALA H H 118 8.310 8.896 -0.586 1
1 1518 . 3 1 1 A 118 118 ALA HA H 118 4.506 4.797 -0.291 1
1 1522 . 3 1 1 A 118 118 ALA C C 118 174.660 175.091 -0.431 1
1 1523 . 3 1 1 A 118 118 ALA CA C 118 50.370 50.084 0.286 1
1 1524 . 3 1 1 A 118 118 ALA CB C 118 20.250 20.200 0.050 1
1 1525 . 3 1 1 A 118 118 ALA N N 118 130.190 129.032 1.158 1
1 1526 . 3 1 1 A 119 119 VAL H H 119 8.295 8.779 -0.484 1
1 1527 . 3 1 1 A 119 119 VAL HA H 119 4.096 4.129 -0.033 1
1 1535 . 3 1 1 A 119 119 VAL C C 119 175.320 175.958 -0.638 1
1 1536 . 3 1 1 A 119 119 VAL CA C 119 61.570 61.576 -0.006 1
1 1537 . 3 1 1 A 119 119 VAL CB C 119 31.445 30.748 0.697 1
1 1540 . 3 1 1 A 119 119 VAL N N 119 123.160 123.442 -0.282 1
1 1541 . 3 1 1 A 120 120 ARG H H 120 8.596 8.725 -0.129 1
1 1542 . 3 1 1 A 120 120 ARG HA H 120 4.534 4.540 -0.006 1
1 1550 . 3 1 1 A 120 120 ARG C C 120 175.260 176.236 -0.976 1
1 1551 . 3 1 1 A 120 120 ARG CA C 120 53.740 53.581 0.159 1
1 1552 . 3 1 1 A 120 120 ARG CB C 120 34.359 33.717 0.642 1
1 1555 . 3 1 1 A 120 120 ARG N N 120 123.692 127.096 -3.404 1
1 1557 . 3 1 1 A 121 121 PHE H H 121 8.585 8.781 -0.196 1
1 1558 . 3 1 1 A 121 121 PHE HA H 121 4.591 4.505 0.086 1
1 1566 . 3 1 1 A 121 121 PHE C C 121 176.430 175.009 1.421 1
1 1567 . 3 1 1 A 121 121 PHE CA C 121 60.370 57.820 2.550 1
1 1568 . 3 1 1 A 121 121 PHE CB C 121 38.713 39.239 -0.526 1
1 1572 . 3 1 1 A 121 121 PHE N N 121 120.110 120.099 0.011 1
1 1573 . 3 1 1 A 122 122 ALA H H 122 7.896 8.002 -0.106 1
1 1574 . 3 1 1 A 122 122 ALA HA H 122 4.304 4.095 0.209 1
1 1578 . 3 1 1 A 122 122 ALA C C 122 177.430 177.827 -0.397 1
1 1579 . 3 1 1 A 122 122 ALA CA C 122 52.050 53.019 -0.969 1
1 1580 . 3 1 1 A 122 122 ALA CB C 122 19.865 17.934 1.931 1
1 1581 . 3 1 1 A 122 122 ALA N N 122 123.820 121.227 2.593 1
1 1582 . 3 1 1 A 123 123 SER H H 123 8.675 8.423 0.252 1
1 1583 . 3 1 1 A 123 123 SER HA H 123 4.372 4.492 -0.120 1
1 1586 . 3 1 1 A 123 123 SER C C 123 173.630 175.877 -2.247 1
1 1587 . 3 1 1 A 123 123 SER CA C 123 58.750 59.238 -0.488 1
1 1588 . 3 1 1 A 123 123 SER CB C 123 63.870 63.893 -0.023 1
1 1589 . 3 1 1 A 123 123 SER N N 123 117.330 120.386 -3.056 1
1 14 . 4 1 1 A 2 2 ARG H H 2 9.247 8.673 0.574 1
1 15 . 4 1 1 A 2 2 ARG HA H 2 5.249 4.475 0.774 1
1 23 . 4 1 1 A 2 2 ARG C C 2 176.020 175.587 0.433 1
1 24 . 4 1 1 A 2 2 ARG CA C 2 56.360 57.061 -0.701 1
1 25 . 4 1 1 A 2 2 ARG CB C 2 31.953 31.325 0.628 1
1 28 . 4 1 1 A 2 2 ARG N N 2 129.420 126.864 2.556 1
1 30 . 4 1 1 A 3 3 VAL H H 3 9.361 8.239 1.122 1
1 31 . 4 1 1 A 3 3 VAL HA H 3 4.464 4.969 -0.505 1
1 39 . 4 1 1 A 3 3 VAL C C 3 173.160 174.287 -1.127 1
1 40 . 4 1 1 A 3 3 VAL CA C 3 61.330 60.210 1.120 1
1 41 . 4 1 1 A 3 3 VAL CB C 3 36.251 35.929 0.322 1
1 44 . 4 1 1 A 3 3 VAL N N 3 126.750 121.177 5.573 1
1 45 . 4 1 1 A 4 4 GLU H H 4 9.294 9.127 0.167 1
1 46 . 4 1 1 A 4 4 GLU HA H 4 4.807 5.219 -0.412 1
1 51 . 4 1 1 A 4 4 GLU C C 4 173.020 174.578 -1.558 1
1 52 . 4 1 1 A 4 4 GLU CA C 4 54.890 54.567 0.323 1
1 53 . 4 1 1 A 4 4 GLU CB C 4 33.146 33.580 -0.434 1
1 55 . 4 1 1 A 4 4 GLU N N 4 128.550 126.922 1.628 1
1 56 . 4 1 1 A 5 5 LEU H H 5 8.685 9.341 -0.656 1
1 57 . 4 1 1 A 5 5 LEU HA H 5 4.547 4.540 0.007 1
1 67 . 4 1 1 A 5 5 LEU C C 5 173.750 174.751 -1.001 1
1 68 . 4 1 1 A 5 5 LEU CA C 5 52.450 53.660 -1.210 1
1 69 . 4 1 1 A 5 5 LEU CB C 5 41.998 42.173 -0.175 1
1 73 . 4 1 1 A 5 5 LEU N N 5 124.490 127.574 -3.084 1
1 74 . 4 1 1 A 6 6 LEU H H 6 8.608 8.602 0.006 1
1 75 . 4 1 1 A 6 6 LEU HA H 6 4.502 4.890 -0.388 1
1 85 . 4 1 1 A 6 6 LEU C C 6 176.550 175.551 0.999 1
1 86 . 4 1 1 A 6 6 LEU CA C 6 53.790 53.484 0.306 1
1 87 . 4 1 1 A 6 6 LEU CB C 6 42.240 43.067 -0.827 1
1 91 . 4 1 1 A 6 6 LEU N N 6 123.330 125.488 -2.158 1
1 92 . 4 1 1 A 7 7 PHE H H 7 8.344 9.078 -0.734 1
1 93 . 4 1 1 A 7 7 PHE HA H 7 5.378 4.964 0.414 1
1 101 . 4 1 1 A 7 7 PHE C C 7 175.050 176.877 -1.827 1
1 102 . 4 1 1 A 7 7 PHE CA C 7 55.830 57.890 -2.060 1
1 103 . 4 1 1 A 7 7 PHE CB C 7 39.383 40.403 -1.020 1
1 108 . 4 1 1 A 7 7 PHE N N 7 125.190 124.473 0.717 1
1 109 . 4 1 1 A 8 8 GLU H H 8 8.226 9.387 -1.161 1
1 110 . 4 1 1 A 8 8 GLU HA H 8 4.266 4.109 0.157 1
1 115 . 4 1 1 A 8 8 GLU C C 8 180.740 178.353 2.387 1
1 116 . 4 1 1 A 8 8 GLU CA C 8 59.530 59.834 -0.304 1
1 117 . 4 1 1 A 8 8 GLU CB C 8 29.723 29.358 0.365 1
1 119 . 4 1 1 A 8 8 GLU N N 8 120.100 123.013 -2.913 1
1 120 . 4 1 1 A 9 9 SER H H 9 9.069 8.104 0.965 1
1 121 . 4 1 1 A 9 9 SER HA H 9 4.467 4.383 0.084 1
1 124 . 4 1 1 A 9 9 SER C C 9 173.740 174.653 -0.913 1
1 125 . 4 1 1 A 9 9 SER CA C 9 58.600 59.435 -0.835 1
1 126 . 4 1 1 A 9 9 SER CB C 9 63.120 63.136 -0.016 1
1 127 . 4 1 1 A 9 9 SER N N 9 112.770 113.912 -1.142 1
1 128 . 4 1 1 A 10 10 GLY H H 10 6.925 7.556 -0.631 1
1 129 . 4 1 1 A 10 10 GLY HA2 H 10 3.896 4.099 -0.203 1
1 130 . 4 1 1 A 10 10 GLY HA3 H 10 3.896 4.114 -0.218 1
1 131 . 4 1 1 A 10 10 GLY C C 10 170.040 171.263 -1.223 1
1 132 . 4 1 1 A 10 10 GLY CA C 10 45.466 45.920 -0.454 1
1 133 . 4 1 1 A 10 10 GLY N N 10 105.760 105.953 -0.193 1
1 134 . 4 1 1 A 11 11 LYS H H 11 9.071 8.968 0.103 1
1 135 . 4 1 1 A 11 11 LYS HA H 11 5.484 5.739 -0.255 1
1 144 . 4 1 1 A 11 11 LYS C C 11 174.230 174.410 -0.180 1
1 145 . 4 1 1 A 11 11 LYS CA C 11 55.460 54.822 0.638 1
1 146 . 4 1 1 A 11 11 LYS CB C 11 36.408 36.739 -0.331 1
1 150 . 4 1 1 A 11 11 LYS N N 11 118.960 116.871 2.089 1
1 151 . 4 1 1 A 12 12 CYS H H 12 8.917 9.112 -0.195 1
1 152 . 4 1 1 A 12 12 CYS HA H 12 5.083 5.194 -0.111 1
1 155 . 4 1 1 A 12 12 CYS C C 12 171.760 172.276 -0.516 1
1 156 . 4 1 1 A 12 12 CYS CA C 12 56.770 56.380 0.390 1
1 157 . 4 1 1 A 12 12 CYS CB C 12 31.267 32.415 -1.148 1
1 158 . 4 1 1 A 12 12 CYS N N 12 115.700 118.785 -3.085 1
1 159 . 4 1 1 A 13 13 VAL H H 13 8.474 8.749 -0.275 1
1 160 . 4 1 1 A 13 13 VAL HA H 13 4.992 4.835 0.157 1
1 168 . 4 1 1 A 13 13 VAL C C 13 175.660 175.324 0.336 1
1 169 . 4 1 1 A 13 13 VAL CA C 13 61.490 61.002 0.488 1
1 170 . 4 1 1 A 13 13 VAL CB C 13 35.125 35.094 0.031 1
1 173 . 4 1 1 A 13 13 VAL N N 13 120.490 119.463 1.027 1
1 174 . 4 1 1 A 14 14 ILE H H 14 9.378 9.226 0.152 1
1 175 . 4 1 1 A 14 14 ILE HA H 14 5.335 5.401 -0.066 1
1 185 . 4 1 1 A 14 14 ILE C C 14 172.570 173.603 -1.033 1
1 186 . 4 1 1 A 14 14 ILE CA C 14 58.540 58.764 -0.224 1
1 187 . 4 1 1 A 14 14 ILE CB C 14 40.755 41.213 -0.458 1
1 191 . 4 1 1 A 14 14 ILE N N 14 120.140 122.639 -2.499 1
1 192 . 4 1 1 A 15 15 ASP H H 15 9.295 8.980 0.315 1
1 193 . 4 1 1 A 15 15 ASP HA H 15 5.274 5.355 -0.081 1
1 196 . 4 1 1 A 15 15 ASP C C 15 176.510 174.500 2.010 1
1 197 . 4 1 1 A 15 15 ASP CA C 15 53.050 52.896 0.154 1
1 198 . 4 1 1 A 15 15 ASP CB C 15 44.007 44.466 -0.459 1
1 199 . 4 1 1 A 15 15 ASP N N 15 123.200 124.306 -1.106 1
1 200 . 4 1 1 A 16 16 LEU H H 16 8.892 9.085 -0.193 1
1 201 . 4 1 1 A 16 16 LEU HA H 16 4.981 5.180 -0.199 1
1 211 . 4 1 1 A 16 16 LEU C C 16 175.430 176.346 -0.916 1
1 212 . 4 1 1 A 16 16 LEU CA C 16 53.040 53.777 -0.737 1
1 213 . 4 1 1 A 16 16 LEU CB C 16 45.782 44.120 1.662 1
1 217 . 4 1 1 A 16 16 LEU N N 16 123.620 126.587 -2.967 1
1 218 . 4 1 1 A 17 17 ASN H H 17 8.694 8.525 0.169 1
1 219 . 4 1 1 A 17 17 ASN HA H 17 4.632 4.597 0.035 1
1 224 . 4 1 1 A 17 17 ASN C C 17 175.500 175.954 -0.454 1
1 225 . 4 1 1 A 17 17 ASN CA C 17 53.310 53.702 -0.392 1
1 226 . 4 1 1 A 17 17 ASN CB C 17 38.508 39.204 -0.696 1
1 227 . 4 1 1 A 17 17 ASN N N 17 121.330 123.612 -2.282 1
1 229 . 4 1 1 A 18 18 GLU H H 18 8.793 8.925 -0.132 1
1 230 . 4 1 1 A 18 18 GLU HA H 18 3.736 4.507 -0.771 1
1 235 . 4 1 1 A 18 18 GLU C C 18 175.250 176.405 -1.155 1
1 236 . 4 1 1 A 18 18 GLU CA C 18 58.330 56.150 2.180 1
1 237 . 4 1 1 A 18 18 GLU CB C 18 29.947 28.777 1.170 1
1 239 . 4 1 1 A 18 18 GLU N N 18 124.750 125.279 -0.529 1
1 240 . 4 1 1 A 19 19 GLU H H 19 8.187 7.210 0.977 1
1 241 . 4 1 1 A 19 19 GLU HA H 19 3.885 4.400 -0.515 1
1 246 . 4 1 1 A 19 19 GLU C C 19 177.350 174.196 3.154 1
1 247 . 4 1 1 A 19 19 GLU CA C 19 57.730 55.862 1.868 1
1 248 . 4 1 1 A 19 19 GLU CB C 19 29.744 30.732 -0.988 1
1 250 . 4 1 1 A 19 19 GLU N N 19 117.280 119.201 -1.921 1
1 251 . 4 1 1 A 20 20 TYR H H 20 7.135 7.514 -0.379 1
1 252 . 4 1 1 A 20 20 TYR HA H 20 4.668 4.939 -0.271 1
1 259 . 4 1 1 A 20 20 TYR CA C 20 56.050 56.328 -0.278 1
1 260 . 4 1 1 A 20 20 TYR CB C 20 38.464 41.584 -3.120 1
1 263 . 4 1 1 A 20 20 TYR N N 20 117.730 119.946 -2.216 1
1 264 . 4 1 1 A 21 21 GLU H H 21 10.044 9.007 1.037 1
1 265 . 4 1 1 A 21 21 GLU HA H 21 3.807 3.917 -0.110 1
1 270 . 4 1 1 A 21 21 GLU C C 21 179.150 178.305 0.845 1
1 271 . 4 1 1 A 21 21 GLU CA C 21 60.640 60.045 0.595 1
1 272 . 4 1 1 A 21 21 GLU CB C 21 29.167 29.523 -0.356 1
1 274 . 4 1 1 A 21 21 GLU N N 21 129.480 124.280 5.200 1
1 275 . 4 1 1 A 22 22 VAL H H 22 9.539 8.053 1.486 1
1 276 . 4 1 1 A 22 22 VAL HA H 22 3.574 3.563 0.011 1
1 284 . 4 1 1 A 22 22 VAL C C 22 175.490 178.374 -2.884 1
1 285 . 4 1 1 A 22 22 VAL CA C 22 64.470 66.312 -1.842 1
1 286 . 4 1 1 A 22 22 VAL CB C 22 30.858 31.261 -0.403 1
1 289 . 4 1 1 A 22 22 VAL N N 22 115.360 119.580 -4.220 1
1 290 . 4 1 1 A 23 23 VAL H H 23 6.843 8.180 -1.337 1
1 291 . 4 1 1 A 23 23 VAL HA H 23 3.387 3.609 -0.222 1
1 299 . 4 1 1 A 23 23 VAL C C 23 176.900 178.383 -1.483 1
1 300 . 4 1 1 A 23 23 VAL CA C 23 67.030 66.921 0.109 1
1 301 . 4 1 1 A 23 23 VAL CB C 23 31.499 31.525 -0.026 1
1 304 . 4 1 1 A 23 23 VAL N N 23 121.150 120.572 0.578 1
1 305 . 4 1 1 A 24 24 LYS H H 24 7.533 7.536 -0.003 1
1 306 . 4 1 1 A 24 24 LYS HA H 24 3.851 4.048 -0.197 1
1 315 . 4 1 1 A 24 24 LYS C C 24 179.820 179.109 0.711 1
1 316 . 4 1 1 A 24 24 LYS CA C 24 60.480 59.576 0.904 1
1 317 . 4 1 1 A 24 24 LYS CB C 24 32.626 32.183 0.443 1
1 321 . 4 1 1 A 24 24 LYS N N 24 120.120 119.457 0.663 1
1 322 . 4 1 1 A 25 25 LEU H H 25 7.870 8.310 -0.440 1
1 323 . 4 1 1 A 25 25 LEU HA H 25 4.097 4.105 -0.008 1
1 333 . 4 1 1 A 25 25 LEU C C 25 180.620 179.945 0.675 1
1 334 . 4 1 1 A 25 25 LEU CA C 25 57.440 57.392 0.048 1
1 335 . 4 1 1 A 25 25 LEU CB C 25 41.717 41.452 0.265 1
1 339 . 4 1 1 A 25 25 LEU N N 25 117.260 119.836 -2.576 1
1 340 . 4 1 1 A 26 26 LEU H H 26 8.489 8.331 0.158 1
1 341 . 4 1 1 A 26 26 LEU HA H 26 3.703 3.950 -0.247 1
1 351 . 4 1 1 A 26 26 LEU C C 26 178.820 179.390 -0.570 1
1 352 . 4 1 1 A 26 26 LEU CA C 26 58.310 58.055 0.255 1
1 353 . 4 1 1 A 26 26 LEU CB C 26 42.487 41.024 1.463 1
1 357 . 4 1 1 A 26 26 LEU N N 26 121.760 120.090 1.670 1
1 358 . 4 1 1 A 27 27 LYS H H 27 8.190 8.074 0.116 1
1 359 . 4 1 1 A 27 27 LYS HA H 27 3.799 4.153 -0.354 1
1 368 . 4 1 1 A 27 27 LYS C C 27 177.470 178.945 -1.475 1
1 369 . 4 1 1 A 27 27 LYS CA C 27 60.480 59.918 0.562 1
1 370 . 4 1 1 A 27 27 LYS CB C 27 33.472 32.300 1.172 1
1 374 . 4 1 1 A 27 27 LYS N N 27 117.650 120.375 -2.725 1
1 375 . 4 1 1 A 28 28 GLU H H 28 6.841 8.122 -1.281 1
1 376 . 4 1 1 A 28 28 GLU HA H 28 4.238 4.180 0.058 1
1 381 . 4 1 1 A 28 28 GLU C C 28 177.280 177.781 -0.501 1
1 382 . 4 1 1 A 28 28 GLU CA C 28 57.370 59.159 -1.789 1
1 383 . 4 1 1 A 28 28 GLU CB C 28 30.480 29.327 1.153 1
1 385 . 4 1 1 A 28 28 GLU N N 28 111.940 119.272 -7.332 1
1 386 . 4 1 1 A 29 29 LYS H H 29 7.577 7.651 -0.074 1
1 387 . 4 1 1 A 29 29 LYS HA H 29 4.414 4.484 -0.070 1
1 396 . 4 1 1 A 29 29 LYS C C 29 175.230 176.000 -0.770 1
1 397 . 4 1 1 A 29 29 LYS CA C 29 53.800 55.973 -2.173 1
1 398 . 4 1 1 A 29 29 LYS CB C 29 33.530 33.464 0.066 1
1 402 . 4 1 1 A 29 29 LYS N N 29 115.460 115.922 -0.462 1
1 403 . 4 1 1 A 30 30 ILE H H 30 6.921 7.234 -0.313 1
1 404 . 4 1 1 A 30 30 ILE HA H 30 3.939 4.402 -0.463 1
1 414 . 4 1 1 A 30 30 ILE CA C 30 60.290 57.591 2.699 1
1 415 . 4 1 1 A 30 30 ILE CB C 30 39.967 38.154 1.813 1
1 419 . 4 1 1 A 30 30 ILE N N 30 122.100 120.760 1.340 1
1 420 . 4 1 1 A 31 31 PRO HA H 31 4.840 4.640 0.200 1
1 427 . 4 1 1 A 31 31 PRO C C 31 175.340 176.327 -0.987 1
1 428 . 4 1 1 A 31 31 PRO CA C 31 62.720 62.426 0.294 1
1 429 . 4 1 1 A 31 31 PRO CB C 31 36.350 33.308 3.042 1
1 432 . 4 1 1 A 32 32 PHE H H 32 7.627 8.443 -0.816 1
1 433 . 4 1 1 A 32 32 PHE HA H 32 4.959 5.116 -0.157 1
1 441 . 4 1 1 A 32 32 PHE C C 32 171.870 172.819 -0.949 1
1 442 . 4 1 1 A 32 32 PHE CA C 32 56.300 56.086 0.214 1
1 443 . 4 1 1 A 32 32 PHE CB C 32 40.253 41.500 -1.247 1
1 447 . 4 1 1 A 32 32 PHE N N 32 112.880 117.239 -4.359 1
1 448 . 4 1 1 A 33 33 GLU H H 33 8.728 9.012 -0.284 1
1 449 . 4 1 1 A 33 33 GLU HA H 33 5.309 5.282 0.027 1
1 454 . 4 1 1 A 33 33 GLU C C 33 175.630 174.520 1.110 1
1 455 . 4 1 1 A 33 33 GLU CA C 33 54.450 54.735 -0.285 1
1 456 . 4 1 1 A 33 33 GLU CB C 33 33.814 33.823 -0.009 1
1 458 . 4 1 1 A 33 33 GLU N N 33 118.710 118.183 0.527 1
1 459 . 4 1 1 A 34 34 SER H H 34 8.964 8.758 0.206 1
1 460 . 4 1 1 A 34 34 SER HA H 34 4.803 4.887 -0.084 1
1 463 . 4 1 1 A 34 34 SER C C 34 174.560 172.268 2.292 1
1 464 . 4 1 1 A 34 34 SER CA C 34 55.830 55.924 -0.094 1
1 465 . 4 1 1 A 34 34 SER CB C 34 64.270 64.788 -0.518 1
1 466 . 4 1 1 A 34 34 SER N N 34 115.150 115.171 -0.021 1
1 467 . 4 1 1 A 35 35 VAL H H 35 8.322 8.521 -0.199 1
1 468 . 4 1 1 A 35 35 VAL HA H 35 4.724 4.747 -0.023 1
1 476 . 4 1 1 A 35 35 VAL C C 35 174.950 174.943 0.007 1
1 477 . 4 1 1 A 35 35 VAL CA C 35 61.350 60.770 0.580 1
1 478 . 4 1 1 A 35 35 VAL CB C 35 35.676 34.454 1.222 1
1 481 . 4 1 1 A 35 35 VAL N N 35 121.700 121.626 0.074 1
1 482 . 4 1 1 A 36 36 VAL H H 36 9.200 8.855 0.345 1
1 483 . 4 1 1 A 36 36 VAL HA H 36 3.999 4.395 -0.396 1
1 491 . 4 1 1 A 36 36 VAL C C 36 175.490 175.250 0.240 1
1 492 . 4 1 1 A 36 36 VAL CA C 36 63.900 62.298 1.602 1
1 493 . 4 1 1 A 36 36 VAL CB C 36 33.593 30.435 3.158 1
1 496 . 4 1 1 A 36 36 VAL N N 36 123.870 128.271 -4.401 1
1 497 . 4 1 1 A 37 37 ASN H H 37 8.739 7.907 0.832 1
1 498 . 4 1 1 A 37 37 ASN HA H 37 5.276 4.664 0.612 1
1 503 . 4 1 1 A 37 37 ASN C C 37 174.040 175.487 -1.447 1
1 504 . 4 1 1 A 37 37 ASN CA C 37 51.960 53.952 -1.992 1
1 505 . 4 1 1 A 37 37 ASN CB C 37 41.996 38.291 3.705 1
1 506 . 4 1 1 A 37 37 ASN N N 37 123.895 124.826 -0.931 1
1 508 . 4 1 1 A 38 38 THR H H 38 8.703 8.781 -0.078 1
1 509 . 4 1 1 A 38 38 THR HA H 38 5.323 5.627 -0.304 1
1 514 . 4 1 1 A 38 38 THR C C 38 174.910 173.736 1.174 1
1 515 . 4 1 1 A 38 38 THR CA C 38 59.740 59.677 0.063 1
1 516 . 4 1 1 A 38 38 THR CB C 38 71.332 72.021 -0.689 1
1 518 . 4 1 1 A 38 38 THR N N 38 111.440 111.445 -0.005 1
1 519 . 4 1 1 A 39 39 TRP H H 39 8.489 9.425 -0.936 1
1 520 . 4 1 1 A 39 39 TRP HA H 39 4.838 5.055 -0.217 1
1 529 . 4 1 1 A 39 39 TRP C C 39 175.270 176.103 -0.833 1
1 530 . 4 1 1 A 39 39 TRP CA C 39 57.040 56.919 0.121 1
1 531 . 4 1 1 A 39 39 TRP CB C 39 29.089 32.236 -3.147 1
1 537 . 4 1 1 A 39 39 TRP N N 39 125.321 124.244 1.077 1
1 539 . 4 1 1 A 40 40 GLY H H 40 8.596 9.326 -0.730 1
1 540 . 4 1 1 A 40 40 GLY HA2 H 40 3.528 3.413 0.115 1
1 541 . 4 1 1 A 40 40 GLY HA3 H 40 3.465 3.681 -0.216 1
1 542 . 4 1 1 A 40 40 GLY CA C 40 47.619 45.963 1.656 1
1 543 . 4 1 1 A 40 40 GLY N N 40 113.220 115.430 -2.210 1
1 544 . 4 1 1 A 41 41 GLU H H 41 7.870 8.390 -0.520 1
1 545 . 4 1 1 A 41 41 GLU HA H 41 3.717 3.704 0.013 1
1 550 . 4 1 1 A 41 41 GLU C C 41 171.810 174.184 -2.374 1
1 551 . 4 1 1 A 41 41 GLU CA C 41 55.390 57.452 -2.062 1
1 552 . 4 1 1 A 41 41 GLU CB C 41 26.025 27.082 -1.057 1
1 554 . 4 1 1 A 41 41 GLU N N 41 128.227 112.270 15.957 1
1 555 . 4 1 1 A 42 42 GLU H H 42 7.158 7.866 -0.708 1
1 556 . 4 1 1 A 42 42 GLU HA H 42 4.811 5.149 -0.338 1
1 561 . 4 1 1 A 42 42 GLU C C 42 175.680 175.196 0.484 1
1 562 . 4 1 1 A 42 42 GLU CA C 42 53.860 55.128 -1.268 1
1 563 . 4 1 1 A 42 42 GLU CB C 42 31.149 33.224 -2.075 1
1 565 . 4 1 1 A 42 42 GLU N N 42 116.880 118.192 -1.312 1
1 566 . 4 1 1 A 43 43 ILE H H 43 8.226 8.386 -0.160 1
1 567 . 4 1 1 A 43 43 ILE HA H 43 4.934 5.187 -0.253 1
1 577 . 4 1 1 A 43 43 ILE C C 43 174.420 175.015 -0.595 1
1 578 . 4 1 1 A 43 43 ILE CA C 43 59.250 60.563 -1.313 1
1 579 . 4 1 1 A 43 43 ILE CB C 43 43.278 40.654 2.624 1
1 583 . 4 1 1 A 43 43 ILE N N 43 125.120 125.647 -0.527 1
1 584 . 4 1 1 A 44 44 TYR H H 44 9.318 8.694 0.624 1
1 585 . 4 1 1 A 44 44 TYR HA H 44 6.008 5.737 0.271 1
1 592 . 4 1 1 A 44 44 TYR C C 44 174.150 173.390 0.760 1
1 593 . 4 1 1 A 44 44 TYR CA C 44 55.740 55.605 0.135 1
1 594 . 4 1 1 A 44 44 TYR CB C 44 42.606 42.074 0.532 1
1 597 . 4 1 1 A 44 44 TYR N N 44 124.370 123.602 0.768 1
1 598 . 4 1 1 A 45 45 PHE H H 45 8.211 8.749 -0.538 1
1 599 . 4 1 1 A 45 45 PHE HA H 45 5.088 5.443 -0.355 1
1 607 . 4 1 1 A 45 45 PHE C C 45 173.730 173.052 0.678 1
1 608 . 4 1 1 A 45 45 PHE CA C 45 55.140 55.350 -0.210 1
1 609 . 4 1 1 A 45 45 PHE CB C 45 40.793 42.331 -1.538 1
1 613 . 4 1 1 A 45 45 PHE N N 45 114.110 118.055 -3.945 1
1 614 . 4 1 1 A 46 46 SER H H 46 9.523 8.858 0.665 1
1 615 . 4 1 1 A 46 46 SER HA H 46 4.316 4.765 -0.449 1
1 618 . 4 1 1 A 46 46 SER C C 46 174.360 173.932 0.428 1
1 619 . 4 1 1 A 46 46 SER CA C 46 59.960 57.771 2.189 1
1 620 . 4 1 1 A 46 46 SER CB C 46 63.980 63.258 0.722 1
1 621 . 4 1 1 A 46 46 SER N N 46 117.150 116.158 0.992 1
1 622 . 4 1 1 A 47 47 THR H H 47 8.225 8.895 -0.670 1
1 623 . 4 1 1 A 47 47 THR HA H 47 4.971 4.861 0.110 1
1 628 . 4 1 1 A 47 47 THR CA C 47 59.160 60.205 -1.045 1
1 629 . 4 1 1 A 47 47 THR CB C 47 70.385 68.782 1.603 1
1 631 . 4 1 1 A 47 47 THR N N 47 113.910 118.429 -4.519 1
1 632 . 4 1 1 A 48 48 PRO HA H 48 4.585 4.439 0.146 1
1 639 . 4 1 1 A 48 48 PRO C C 48 175.940 176.143 -0.203 1
1 640 . 4 1 1 A 48 48 PRO CA C 48 62.410 63.434 -1.024 1
1 641 . 4 1 1 A 48 48 PRO CB C 48 31.770 32.254 -0.484 1
1 644 . 4 1 1 A 49 49 VAL H H 49 7.458 7.563 -0.105 1
1 645 . 4 1 1 A 49 49 VAL HA H 49 4.178 4.117 0.061 1
1 653 . 4 1 1 A 49 49 VAL C C 49 174.070 175.869 -1.799 1
1 654 . 4 1 1 A 49 49 VAL CA C 49 60.840 63.106 -2.266 1
1 655 . 4 1 1 A 49 49 VAL CB C 49 34.134 32.868 1.266 1
1 658 . 4 1 1 A 49 49 VAL N N 49 114.800 120.235 -5.435 1
1 659 . 4 1 1 A 50 50 ASN H H 50 8.897 8.679 0.218 1
1 660 . 4 1 1 A 50 50 ASN HA H 50 4.684 4.980 -0.296 1
1 665 . 4 1 1 A 50 50 ASN C C 50 173.550 174.639 -1.089 1
1 666 . 4 1 1 A 50 50 ASN CA C 50 51.610 52.361 -0.751 1
1 667 . 4 1 1 A 50 50 ASN CB C 50 39.730 39.674 0.056 1
1 668 . 4 1 1 A 50 50 ASN N N 50 126.400 123.821 2.579 1
1 670 . 4 1 1 A 51 51 VAL H H 51 7.587 7.500 0.087 1
1 671 . 4 1 1 A 51 51 VAL HA H 51 4.148 4.062 0.086 1
1 679 . 4 1 1 A 51 51 VAL C C 51 174.350 175.751 -1.401 1
1 680 . 4 1 1 A 51 51 VAL CA C 51 61.280 62.568 -1.288 1
1 681 . 4 1 1 A 51 51 VAL CB C 51 35.206 32.317 2.889 1
1 684 . 4 1 1 A 51 51 VAL N N 51 122.670 120.822 1.848 1
1 685 . 4 1 1 A 52 52 GLN H H 52 8.337 8.913 -0.576 1
1 686 . 4 1 1 A 52 52 GLN HA H 52 4.094 4.655 -0.561 1
1 693 . 4 1 1 A 52 52 GLN C C 52 176.240 175.603 0.637 1
1 694 . 4 1 1 A 52 52 GLN CA C 52 56.560 55.716 0.844 1
1 695 . 4 1 1 A 52 52 GLN CB C 52 29.745 30.382 -0.637 1
1 697 . 4 1 1 A 52 52 GLN N N 52 122.670 124.088 -1.418 1
1 699 . 4 1 1 A 53 53 LYS H H 53 7.363 7.568 -0.205 1
1 700 . 4 1 1 A 53 53 LYS HA H 53 3.994 4.272 -0.278 1
1 709 . 4 1 1 A 53 53 LYS C C 53 176.010 175.803 0.207 1
1 710 . 4 1 1 A 53 53 LYS CA C 53 56.960 56.771 0.189 1
1 711 . 4 1 1 A 53 53 LYS CB C 53 33.000 33.192 -0.192 1
1 715 . 4 1 1 A 53 53 LYS N N 53 119.940 122.815 -2.875 1
1 716 . 4 1 1 A 54 54 MET H H 54 8.797 8.499 0.298 1
1 717 . 4 1 1 A 54 54 MET HA H 54 4.449 5.250 -0.801 1
1 725 . 4 1 1 A 54 54 MET C C 54 174.630 175.718 -1.088 1
1 726 . 4 1 1 A 54 54 MET CA C 54 54.530 53.498 1.032 1
1 727 . 4 1 1 A 54 54 MET CB C 54 36.912 35.313 1.599 1
1 730 . 4 1 1 A 54 54 MET N N 54 124.720 123.984 0.736 1
1 731 . 4 1 1 A 55 55 GLU H H 55 9.773 8.273 1.500 1
1 732 . 4 1 1 A 55 55 GLU HA H 55 4.029 4.406 -0.377 1
1 737 . 4 1 1 A 55 55 GLU C C 55 176.930 177.164 -0.234 1
1 738 . 4 1 1 A 55 55 GLU CA C 55 59.910 58.149 1.761 1
1 739 . 4 1 1 A 55 55 GLU CB C 55 29.611 31.023 -1.412 1
1 741 . 4 1 1 A 55 55 GLU N N 55 124.250 121.955 2.295 1
1 742 . 4 1 1 A 56 56 ASN H H 56 8.371 8.003 0.368 1
1 743 . 4 1 1 A 56 56 ASN HA H 56 5.163 5.123 0.040 1
1 748 . 4 1 1 A 56 56 ASN CA C 56 50.680 50.374 0.306 1
1 749 . 4 1 1 A 56 56 ASN CB C 56 39.563 38.837 0.726 1
1 750 . 4 1 1 A 56 56 ASN N N 56 115.600 117.474 -1.874 1
1 752 . 4 1 1 A 57 57 PRO HA H 57 4.854 4.761 0.093 1
1 759 . 4 1 1 A 57 57 PRO C C 57 178.760 176.015 2.745 1
1 760 . 4 1 1 A 57 57 PRO CA C 57 62.630 63.397 -0.767 1
1 761 . 4 1 1 A 57 57 PRO CB C 57 32.197 31.811 0.386 1
1 764 . 4 1 1 A 58 58 ARG H H 58 9.448 9.000 0.448 1
1 765 . 4 1 1 A 58 58 ARG HA H 58 4.636 4.913 -0.277 1
1 773 . 4 1 1 A 58 58 ARG C C 58 175.430 175.942 -0.512 1
1 774 . 4 1 1 A 58 58 ARG CA C 58 54.210 54.690 -0.480 1
1 775 . 4 1 1 A 58 58 ARG CB C 58 34.208 33.360 0.848 1
1 778 . 4 1 1 A 58 58 ARG N N 58 122.690 123.868 -1.178 1
1 780 . 4 1 1 A 59 59 GLU H H 59 8.694 8.877 -0.183 1
1 781 . 4 1 1 A 59 59 GLU HA H 59 4.096 4.555 -0.459 1
1 786 . 4 1 1 A 59 59 GLU C C 59 175.210 175.996 -0.786 1
1 787 . 4 1 1 A 59 59 GLU CA C 59 56.470 56.597 -0.127 1
1 788 . 4 1 1 A 59 59 GLU CB C 59 31.074 30.512 0.562 1
1 790 . 4 1 1 A 59 59 GLU N N 59 119.520 121.713 -2.193 1
1 791 . 4 1 1 A 60 60 VAL H H 60 7.296 7.436 -0.140 1
1 792 . 4 1 1 A 60 60 VAL HA H 60 4.471 4.574 -0.103 1
1 800 . 4 1 1 A 60 60 VAL C C 60 174.900 173.503 1.397 1
1 801 . 4 1 1 A 60 60 VAL CA C 60 61.058 60.455 0.603 1
1 802 . 4 1 1 A 60 60 VAL CB C 60 35.056 34.269 0.787 1
1 805 . 4 1 1 A 60 60 VAL N N 60 117.380 116.968 0.412 1
1 806 . 4 1 1 A 61 61 VAL H H 61 8.064 8.402 -0.338 1
1 807 . 4 1 1 A 61 61 VAL HA H 61 4.540 4.977 -0.437 1
1 815 . 4 1 1 A 61 61 VAL C C 61 172.880 174.823 -1.943 1
1 816 . 4 1 1 A 61 61 VAL CA C 61 58.820 58.904 -0.084 1
1 817 . 4 1 1 A 61 61 VAL CB C 61 33.464 36.295 -2.831 1
1 820 . 4 1 1 A 61 61 VAL N N 61 117.630 120.737 -3.107 1
1 821 . 4 1 1 A 62 62 GLU H H 62 8.620 8.822 -0.202 1
1 822 . 4 1 1 A 62 62 GLU HA H 62 4.543 4.891 -0.348 1
1 827 . 4 1 1 A 62 62 GLU C C 62 176.350 176.559 -0.209 1
1 828 . 4 1 1 A 62 62 GLU CA C 62 53.640 54.641 -1.001 1
1 829 . 4 1 1 A 62 62 GLU CB C 62 32.360 32.271 0.089 1
1 831 . 4 1 1 A 62 62 GLU N N 62 118.060 119.573 -1.513 1
1 832 . 4 1 1 A 63 63 ILE H H 63 8.520 8.539 -0.019 1
1 833 . 4 1 1 A 63 63 ILE HA H 63 3.275 4.327 -1.052 1
1 843 . 4 1 1 A 63 63 ILE C C 63 177.940 177.023 0.917 1
1 844 . 4 1 1 A 63 63 ILE CA C 63 64.410 61.521 2.889 1
1 845 . 4 1 1 A 63 63 ILE CB C 63 37.674 36.450 1.224 1
1 849 . 4 1 1 A 63 63 ILE N N 63 120.310 123.138 -2.828 1
1 850 . 4 1 1 A 64 64 GLY H H 64 9.091 8.397 0.694 1
1 851 . 4 1 1 A 64 64 GLY HA2 H 64 3.563 4.166 -0.603 1
1 852 . 4 1 1 A 64 64 GLY HA3 H 64 4.774 4.194 0.580 1
1 853 . 4 1 1 A 64 64 GLY C C 64 173.290 174.380 -1.090 1
1 854 . 4 1 1 A 64 64 GLY CA C 64 45.359 45.303 0.056 1
1 855 . 4 1 1 A 64 64 GLY N N 64 116.340 116.067 0.273 1
1 856 . 4 1 1 A 65 65 ASP H H 65 8.335 7.965 0.370 1
1 857 . 4 1 1 A 65 65 ASP HA H 65 4.914 5.132 -0.218 1
1 860 . 4 1 1 A 65 65 ASP C C 65 175.180 174.969 0.211 1
1 861 . 4 1 1 A 65 65 ASP CA C 65 56.630 53.780 2.850 1
1 862 . 4 1 1 A 65 65 ASP CB C 65 41.980 43.224 -1.244 1
1 863 . 4 1 1 A 65 65 ASP N N 65 121.610 120.375 1.235 1
1 864 . 4 1 1 A 66 66 VAL H H 66 7.580 8.696 -1.116 1
1 865 . 4 1 1 A 66 66 VAL HA H 66 5.085 4.867 0.218 1
1 873 . 4 1 1 A 66 66 VAL C C 66 176.170 175.732 0.438 1
1 874 . 4 1 1 A 66 66 VAL CA C 66 60.240 60.856 -0.616 1
1 875 . 4 1 1 A 66 66 VAL CB C 66 33.783 35.804 -2.021 1
1 878 . 4 1 1 A 66 66 VAL N N 66 117.330 119.609 -2.279 1
1 879 . 4 1 1 A 67 67 GLY H H 67 9.592 8.779 0.813 1
1 880 . 4 1 1 A 67 67 GLY HA2 H 67 5.899 4.370 1.529 1
1 881 . 4 1 1 A 67 67 GLY HA3 H 67 3.200 4.415 -1.215 1
1 882 . 4 1 1 A 67 67 GLY C C 67 171.740 172.511 -0.771 1
1 883 . 4 1 1 A 67 67 GLY CA C 67 43.580 43.960 -0.380 1
1 884 . 4 1 1 A 67 67 GLY N N 67 111.440 114.660 -3.220 1
1 885 . 4 1 1 A 68 68 TYR H H 68 9.146 9.038 0.108 1
1 886 . 4 1 1 A 68 68 TYR HA H 68 5.809 5.702 0.107 1
1 889 . 4 1 1 A 68 68 TYR C C 68 173.860 172.575 1.285 1
1 890 . 4 1 1 A 68 68 TYR CA C 68 55.900 55.701 0.199 1
1 891 . 4 1 1 A 68 68 TYR CB C 68 42.170 42.048 0.122 1
1 892 . 4 1 1 A 68 68 TYR N N 68 119.980 116.807 3.173 1
1 893 . 4 1 1 A 69 69 TRP H H 69 9.213 8.863 0.350 1
1 894 . 4 1 1 A 69 69 TRP HA H 69 5.268 4.929 0.339 1
1 902 . 4 1 1 A 69 69 TRP CA C 69 53.390 55.384 -1.994 1
1 903 . 4 1 1 A 69 69 TRP CB C 69 30.442 30.578 -0.136 1
1 908 . 4 1 1 A 69 69 TRP N N 69 132.150 122.917 9.233 1
1 910 . 4 1 1 A 70 70 PRO HA H 70 3.923 4.073 -0.150 1
1 917 . 4 1 1 A 70 70 PRO CA C 70 66.753 65.429 1.324 1
1 918 . 4 1 1 A 70 70 PRO CB C 70 30.054 31.334 -1.280 1
1 921 . 4 1 1 A 71 71 PRO HA H 71 3.716 4.113 -0.397 1
1 928 . 4 1 1 A 71 71 PRO CA C 71 65.803 64.596 1.207 1
1 929 . 4 1 1 A 71 71 PRO CB C 71 30.620 30.875 -0.255 1
1 932 . 4 1 1 A 72 72 GLY HA2 H 72 3.168 3.838 -0.670 1
1 933 . 4 1 1 A 72 72 GLY HA3 H 72 4.271 3.858 0.413 1
1 934 . 4 1 1 A 72 72 GLY C C 72 173.220 173.339 -0.119 1
1 935 . 4 1 1 A 72 72 GLY CA C 72 44.350 44.894 -0.544 1
1 936 . 4 1 1 A 73 73 LYS H H 73 7.989 7.902 0.087 1
1 937 . 4 1 1 A 73 73 LYS HA H 73 3.566 3.813 -0.247 1
1 946 . 4 1 1 A 73 73 LYS C C 73 177.420 174.647 2.773 1
1 947 . 4 1 1 A 73 73 LYS CA C 73 57.790 57.121 0.669 1
1 948 . 4 1 1 A 73 73 LYS CB C 73 29.398 29.839 -0.441 1
1 952 . 4 1 1 A 73 73 LYS N N 73 121.515 115.662 5.853 1
1 953 . 4 1 1 A 74 74 ALA H H 74 6.969 7.735 -0.766 1
1 954 . 4 1 1 A 74 74 ALA HA H 74 5.123 5.232 -0.109 1
1 958 . 4 1 1 A 74 74 ALA C C 74 177.490 175.775 1.715 1
1 959 . 4 1 1 A 74 74 ALA CA C 74 51.900 50.229 1.671 1
1 960 . 4 1 1 A 74 74 ALA CB C 74 23.090 22.570 0.520 1
1 961 . 4 1 1 A 74 74 ALA N N 74 118.780 119.501 -0.721 1
1 962 . 4 1 1 A 75 75 LEU H H 75 8.032 7.918 0.114 1
1 963 . 4 1 1 A 75 75 LEU HA H 75 4.844 4.367 0.477 1
1 973 . 4 1 1 A 75 75 LEU C C 75 175.540 175.112 0.428 1
1 974 . 4 1 1 A 75 75 LEU CA C 75 54.000 54.813 -0.813 1
1 975 . 4 1 1 A 75 75 LEU CB C 75 43.858 43.077 0.781 1
1 979 . 4 1 1 A 75 75 LEU N N 75 122.780 122.980 -0.200 1
1 980 . 4 1 1 A 76 76 CYS H H 76 8.813 8.484 0.329 1
1 981 . 4 1 1 A 76 76 CYS HA H 76 5.178 5.090 0.088 1
1 984 . 4 1 1 A 76 76 CYS C C 76 173.080 172.389 0.691 1
1 985 . 4 1 1 A 76 76 CYS CA C 76 55.850 58.135 -2.285 1
1 986 . 4 1 1 A 76 76 CYS CB C 76 31.922 29.672 2.250 1
1 987 . 4 1 1 A 76 76 CYS N N 76 117.950 121.384 -3.434 1
1 988 . 4 1 1 A 77 77 LEU H H 77 9.621 9.074 0.547 1
1 989 . 4 1 1 A 77 77 LEU HA H 77 4.741 4.738 0.003 1
1 999 . 4 1 1 A 77 77 LEU C C 77 175.040 175.766 -0.726 1
1 1000 . 4 1 1 A 77 77 LEU CA C 77 53.510 54.156 -0.646 1
1 1001 . 4 1 1 A 77 77 LEU CB C 77 44.058 42.425 1.633 1
1 1005 . 4 1 1 A 77 77 LEU N N 77 123.140 126.970 -3.830 1
1 1006 . 4 1 1 A 78 78 PHE H H 78 7.930 8.743 -0.813 1
1 1007 . 4 1 1 A 78 78 PHE HA H 78 4.809 5.181 -0.372 1
1 1015 . 4 1 1 A 78 78 PHE C C 78 174.830 175.988 -1.158 1
1 1016 . 4 1 1 A 78 78 PHE CA C 78 58.140 56.307 1.833 1
1 1017 . 4 1 1 A 78 78 PHE CB C 78 39.603 39.812 -0.209 1
1 1021 . 4 1 1 A 78 78 PHE N N 78 120.120 124.349 -4.229 1
1 1022 . 4 1 1 A 79 79 PHE H H 79 8.038 7.965 0.073 1
1 1023 . 4 1 1 A 79 79 PHE HA H 79 5.029 5.098 -0.069 1
1 1031 . 4 1 1 A 79 79 PHE C C 79 172.070 175.168 -3.098 1
1 1032 . 4 1 1 A 79 79 PHE CA C 79 55.630 56.557 -0.927 1
1 1033 . 4 1 1 A 79 79 PHE CB C 79 39.003 41.301 -2.298 1
1 1037 . 4 1 1 A 79 79 PHE N N 79 119.040 119.230 -0.190 1
1 1038 . 4 1 1 A 80 80 GLY H H 80 7.489 7.506 -0.017 1
1 1039 . 4 1 1 A 80 80 GLY HA2 H 80 3.653 3.889 -0.236 1
1 1040 . 4 1 1 A 80 80 GLY HA3 H 80 4.283 4.041 0.242 1
1 1041 . 4 1 1 A 80 80 GLY C C 80 170.830 171.505 -0.675 1
1 1042 . 4 1 1 A 80 80 GLY CA C 80 45.342 45.615 -0.273 1
1 1043 . 4 1 1 A 80 80 GLY N N 80 110.010 108.667 1.343 1
1 1044 . 4 1 1 A 81 81 LYS H H 81 8.186 8.044 0.142 1
1 1045 . 4 1 1 A 81 81 LYS HA H 81 4.003 4.837 -0.834 1
1 1054 . 4 1 1 A 81 81 LYS C C 81 177.530 174.499 3.031 1
1 1055 . 4 1 1 A 81 81 LYS CA C 81 57.730 55.437 2.293 1
1 1056 . 4 1 1 A 81 81 LYS CB C 81 33.293 35.983 -2.690 1
1 1060 . 4 1 1 A 81 81 LYS N N 81 117.260 123.264 -6.004 1
1 1061 . 4 1 1 A 82 82 THR H H 82 8.076 8.551 -0.475 1
1 1062 . 4 1 1 A 82 82 THR HA H 82 4.423 4.847 -0.424 1
1 1067 . 4 1 1 A 82 82 THR CA C 82 59.230 58.822 0.408 1
1 1068 . 4 1 1 A 82 82 THR CB C 82 68.310 69.123 -0.813 1
1 1070 . 4 1 1 A 82 82 THR N N 82 113.611 116.730 -3.119 1
1 1071 . 4 1 1 A 83 83 PRO HA H 83 4.090 4.350 -0.260 1
1 1078 . 4 1 1 A 83 83 PRO CA C 83 63.743 63.884 -0.141 1
1 1079 . 4 1 1 A 83 83 PRO CB C 83 32.167 31.930 0.237 1
1 1082 . 4 1 1 A 84 84 MET HA H 84 4.220 4.320 -0.100 1
1 1090 . 4 1 1 A 84 84 MET C C 84 175.920 176.515 -0.595 1
1 1091 . 4 1 1 A 84 84 MET CA C 84 55.880 57.944 -2.064 1
1 1092 . 4 1 1 A 84 84 MET CB C 84 33.070 33.252 -0.182 1
1 1095 . 4 1 1 A 85 85 SER H H 85 7.256 7.385 -0.129 1
1 1096 . 4 1 1 A 85 85 SER HA H 85 4.401 4.539 -0.138 1
1 1099 . 4 1 1 A 85 85 SER C C 85 173.380 173.466 -0.086 1
1 1100 . 4 1 1 A 85 85 SER CA C 85 58.230 56.603 1.627 1
1 1101 . 4 1 1 A 85 85 SER CB C 85 64.290 65.995 -1.705 1
1 1102 . 4 1 1 A 85 85 SER N N 85 111.370 112.887 -1.517 1
1 1103 . 4 1 1 A 86 86 ASP H H 86 8.517 8.776 -0.259 1
1 1104 . 4 1 1 A 86 86 ASP HA H 86 4.692 4.837 -0.145 1
1 1107 . 4 1 1 A 86 86 ASP C C 86 175.860 176.852 -0.992 1
1 1108 . 4 1 1 A 86 86 ASP CA C 86 54.150 55.440 -1.290 1
1 1109 . 4 1 1 A 86 86 ASP CB C 86 41.360 42.852 -1.492 1
1 1110 . 4 1 1 A 86 86 ASP N N 86 123.320 120.257 3.063 1
1 1111 . 4 1 1 A 87 87 ASP H H 87 8.412 8.413 -0.001 1
1 1112 . 4 1 1 A 87 87 ASP HA H 87 4.529 4.465 0.064 1
1 1115 . 4 1 1 A 87 87 ASP C C 87 175.270 176.129 -0.859 1
1 1116 . 4 1 1 A 87 87 ASP CA C 87 54.870 56.434 -1.564 1
1 1117 . 4 1 1 A 87 87 ASP CB C 87 41.580 41.997 -0.417 1
1 1118 . 4 1 1 A 87 87 ASP N N 87 118.900 117.427 1.473 1
1 1119 . 4 1 1 A 88 88 LYS H H 88 7.869 7.527 0.342 1
1 1120 . 4 1 1 A 88 88 LYS HA H 88 4.372 4.559 -0.187 1
1 1129 . 4 1 1 A 88 88 LYS C C 88 174.870 174.504 0.366 1
1 1130 . 4 1 1 A 88 88 LYS CA C 88 54.580 55.047 -0.467 1
1 1131 . 4 1 1 A 88 88 LYS CB C 88 34.047 34.491 -0.444 1
1 1135 . 4 1 1 A 88 88 LYS N N 88 118.310 113.329 4.981 1
1 1136 . 4 1 1 A 89 89 ILE H H 89 8.604 8.781 -0.177 1
1 1137 . 4 1 1 A 89 89 ILE HA H 89 3.873 4.102 -0.229 1
1 1147 . 4 1 1 A 89 89 ILE C C 89 174.480 175.255 -0.775 1
1 1148 . 4 1 1 A 89 89 ILE CA C 89 61.890 61.132 0.758 1
1 1149 . 4 1 1 A 89 89 ILE CB C 89 36.398 36.493 -0.095 1
1 1153 . 4 1 1 A 89 89 ILE N N 89 121.510 122.299 -0.789 1
1 1154 . 4 1 1 A 90 90 GLN H H 90 8.015 8.344 -0.329 1
1 1155 . 4 1 1 A 90 90 GLN HA H 90 5.033 4.581 0.452 1
1 1162 . 4 1 1 A 90 90 GLN CA C 90 52.110 53.883 -1.773 1
1 1163 . 4 1 1 A 90 90 GLN CB C 90 32.045 28.187 3.858 1
1 1165 . 4 1 1 A 90 90 GLN N N 90 126.430 126.273 0.157 1
1 1167 . 4 1 1 A 91 91 PRO HA H 91 4.508 4.632 -0.124 1
1 1174 . 4 1 1 A 91 91 PRO C C 91 175.210 177.429 -2.219 1
1 1175 . 4 1 1 A 91 91 PRO CA C 91 61.680 62.259 -0.579 1
1 1176 . 4 1 1 A 91 91 PRO CB C 91 32.854 33.004 -0.150 1
1 1179 . 4 1 1 A 92 92 ALA H H 92 8.014 8.600 -0.586 1
1 1180 . 4 1 1 A 92 92 ALA HA H 92 3.931 4.087 -0.156 1
1 1184 . 4 1 1 A 92 92 ALA CA C 92 55.270 54.929 0.341 1
1 1185 . 4 1 1 A 92 92 ALA CB C 92 18.838 18.636 0.202 1
1 1186 . 4 1 1 A 92 92 ALA N N 92 121.420 122.520 -1.100 1
1 1187 . 4 1 1 A 93 93 SER H H 93 7.391 7.704 -0.313 1
1 1188 . 4 1 1 A 93 93 SER HA H 93 4.223 4.532 -0.309 1
1 1191 . 4 1 1 A 93 93 SER C C 93 171.670 172.872 -1.202 1
1 1192 . 4 1 1 A 93 93 SER CA C 93 57.240 56.618 0.622 1
1 1193 . 4 1 1 A 93 93 SER CB C 93 63.620 64.899 -1.279 1
1 1194 . 4 1 1 A 93 93 SER N N 93 105.210 109.847 -4.637 1
1 1195 . 4 1 1 A 94 94 ALA H H 94 8.276 8.363 -0.087 1
1 1196 . 4 1 1 A 94 94 ALA HA H 94 4.113 4.476 -0.363 1
1 1200 . 4 1 1 A 94 94 ALA C C 94 177.150 177.061 0.089 1
1 1201 . 4 1 1 A 94 94 ALA CA C 94 53.810 52.550 1.260 1
1 1202 . 4 1 1 A 94 94 ALA CB C 94 19.219 19.090 0.129 1
1 1203 . 4 1 1 A 94 94 ALA N N 94 117.972 125.016 -7.044 1
1 1204 . 4 1 1 A 95 95 VAL H H 95 7.886 8.131 -0.245 1
1 1205 . 4 1 1 A 95 95 VAL HA H 95 5.037 4.623 0.414 1
1 1213 . 4 1 1 A 95 95 VAL C C 95 174.060 174.979 -0.919 1
1 1214 . 4 1 1 A 95 95 VAL CA C 95 57.510 61.055 -3.545 1
1 1215 . 4 1 1 A 95 95 VAL CB C 95 35.106 33.158 1.948 1
1 1218 . 4 1 1 A 95 95 VAL N N 95 108.410 119.803 -11.393 1
1 1219 . 4 1 1 A 96 96 ASN H H 96 9.178 8.196 0.982 1
1 1220 . 4 1 1 A 96 96 ASN HA H 96 4.897 5.134 -0.237 1
1 1225 . 4 1 1 A 96 96 ASN C C 96 176.600 176.348 0.252 1
1 1226 . 4 1 1 A 96 96 ASN CA C 96 50.790 52.605 -1.815 1
1 1227 . 4 1 1 A 96 96 ASN CB C 96 39.637 38.534 1.103 1
1 1228 . 4 1 1 A 96 96 ASN N N 96 121.250 122.776 -1.526 1
1 1230 . 4 1 1 A 97 97 VAL H H 97 8.503 8.662 -0.159 1
1 1231 . 4 1 1 A 97 97 VAL HA H 97 4.421 4.319 0.102 1
1 1239 . 4 1 1 A 97 97 VAL C C 97 176.450 176.585 -0.135 1
1 1240 . 4 1 1 A 97 97 VAL CA C 97 66.030 62.716 3.314 1
1 1241 . 4 1 1 A 97 97 VAL CB C 97 30.552 31.154 -0.602 1
1 1244 . 4 1 1 A 97 97 VAL N N 97 129.670 126.485 3.185 1
1 1245 . 4 1 1 A 98 98 ILE H H 98 8.129 7.976 0.153 1
1 1246 . 4 1 1 A 98 98 ILE HA H 98 4.628 3.996 0.632 1
1 1256 . 4 1 1 A 98 98 ILE C C 98 174.270 176.457 -2.187 1
1 1257 . 4 1 1 A 98 98 ILE CA C 98 61.240 63.530 -2.290 1
1 1258 . 4 1 1 A 98 98 ILE CB C 98 39.812 37.641 2.171 1
1 1262 . 4 1 1 A 98 98 ILE N N 98 119.500 121.614 -2.114 1
1 1263 . 4 1 1 A 99 99 GLY H H 99 7.668 7.859 -0.191 1
1 1264 . 4 1 1 A 99 99 GLY HA2 H 99 4.435 4.116 0.319 1
1 1265 . 4 1 1 A 99 99 GLY HA3 H 99 4.637 4.128 0.509 1
1 1266 . 4 1 1 A 99 99 GLY C C 99 172.410 171.990 0.420 1
1 1267 . 4 1 1 A 99 99 GLY CA C 99 46.906 44.320 2.586 1
1 1268 . 4 1 1 A 99 99 GLY N N 99 107.230 111.291 -4.061 1
1 1269 . 4 1 1 A 100 100 LYS H H 100 8.347 8.680 -0.333 1
1 1270 . 4 1 1 A 100 100 LYS HA H 100 5.540 5.085 0.455 1
1 1279 . 4 1 1 A 100 100 LYS C C 100 175.740 175.543 0.197 1
1 1280 . 4 1 1 A 100 100 LYS CA C 100 54.150 54.514 -0.364 1
1 1281 . 4 1 1 A 100 100 LYS CB C 100 37.900 35.960 1.940 1
1 1285 . 4 1 1 A 100 100 LYS N N 100 119.730 121.630 -1.900 1
1 1286 . 4 1 1 A 101 101 ILE H H 101 9.542 9.312 0.230 1
1 1287 . 4 1 1 A 101 101 ILE HA H 101 4.184 4.204 -0.020 1
1 1297 . 4 1 1 A 101 101 ILE C C 101 176.010 177.298 -1.288 1
1 1298 . 4 1 1 A 101 101 ILE CA C 101 62.940 61.707 1.233 1
1 1299 . 4 1 1 A 101 101 ILE CB C 101 39.212 37.000 2.212 1
1 1303 . 4 1 1 A 101 101 ILE N N 101 124.050 127.241 -3.191 1
1 1304 . 4 1 1 A 102 102 VAL H H 102 8.728 8.365 0.363 1
1 1305 . 4 1 1 A 102 102 VAL HA H 102 4.591 4.136 0.455 1
1 1313 . 4 1 1 A 102 102 VAL C C 102 175.730 175.753 -0.023 1
1 1314 . 4 1 1 A 102 102 VAL CA C 102 62.030 63.734 -1.704 1
1 1315 . 4 1 1 A 102 102 VAL CB C 102 33.307 32.286 1.021 1
1 1318 . 4 1 1 A 102 102 VAL N N 102 121.420 124.999 -3.579 1
1 1319 . 4 1 1 A 103 103 GLU H H 103 7.912 7.706 0.206 1
1 1320 . 4 1 1 A 103 103 GLU HA H 103 4.661 4.607 0.054 1
1 1325 . 4 1 1 A 103 103 GLU C C 103 176.520 175.966 0.554 1
1 1326 . 4 1 1 A 103 103 GLU CA C 103 56.550 55.408 1.142 1
1 1327 . 4 1 1 A 103 103 GLU CB C 103 34.180 33.467 0.713 1
1 1329 . 4 1 1 A 103 103 GLU N N 103 120.750 119.989 0.761 1
1 1330 . 4 1 1 A 104 104 GLY H H 104 8.934 8.754 0.180 1
1 1331 . 4 1 1 A 104 104 GLY HA2 H 104 3.932 4.022 -0.090 1
1 1332 . 4 1 1 A 104 104 GLY HA3 H 104 4.345 4.034 0.311 1
1 1333 . 4 1 1 A 104 104 GLY C C 104 175.230 175.388 -0.158 1
1 1334 . 4 1 1 A 104 104 GLY CA C 104 46.616 46.423 0.193 1
1 1335 . 4 1 1 A 104 104 GLY N N 104 111.140 111.251 -0.111 1
1 1336 . 4 1 1 A 105 105 LEU H H 105 8.158 7.911 0.247 1
1 1337 . 4 1 1 A 105 105 LEU HA H 105 3.702 3.862 -0.160 1
1 1347 . 4 1 1 A 105 105 LEU C C 105 179.250 178.530 0.720 1
1 1348 . 4 1 1 A 105 105 LEU CA C 105 59.400 57.965 1.435 1
1 1349 . 4 1 1 A 105 105 LEU CB C 105 42.743 42.290 0.453 1
1 1353 . 4 1 1 A 105 105 LEU N N 105 121.390 122.146 -0.756 1
1 1354 . 4 1 1 A 106 106 GLU H H 106 8.944 8.329 0.615 1
1 1355 . 4 1 1 A 106 106 GLU HA H 106 3.978 4.173 -0.195 1
1 1360 . 4 1 1 A 106 106 GLU C C 106 178.120 177.297 0.823 1
1 1361 . 4 1 1 A 106 106 GLU CA C 106 58.720 58.224 0.496 1
1 1362 . 4 1 1 A 106 106 GLU CB C 106 28.920 28.331 0.589 1
1 1364 . 4 1 1 A 106 106 GLU N N 106 113.860 117.193 -3.333 1
1 1365 . 4 1 1 A 107 107 ASP H H 107 7.538 8.056 -0.518 1
1 1366 . 4 1 1 A 107 107 ASP HA H 107 4.344 4.370 -0.026 1
1 1369 . 4 1 1 A 107 107 ASP C C 107 178.190 177.158 1.032 1
1 1370 . 4 1 1 A 107 107 ASP CA C 107 55.780 56.358 -0.578 1
1 1371 . 4 1 1 A 107 107 ASP CB C 107 41.191 40.599 0.592 1
1 1372 . 4 1 1 A 107 107 ASP N N 107 119.620 120.391 -0.771 1
1 1373 . 4 1 1 A 108 108 LEU H H 108 7.115 7.257 -0.142 1
1 1374 . 4 1 1 A 108 108 LEU HA H 108 3.357 3.705 -0.348 1
1 1384 . 4 1 1 A 108 108 LEU C C 108 177.920 179.296 -1.376 1
1 1385 . 4 1 1 A 108 108 LEU CA C 108 57.000 56.188 0.812 1
1 1386 . 4 1 1 A 108 108 LEU CB C 108 38.445 40.871 -2.426 1
1 1390 . 4 1 1 A 108 108 LEU N N 108 117.551 117.038 0.513 1
1 1391 . 4 1 1 A 109 109 LYS H H 109 7.179 7.830 -0.651 1
1 1392 . 4 1 1 A 109 109 LYS HA H 109 3.879 4.214 -0.335 1
1 1401 . 4 1 1 A 109 109 LYS C C 109 176.650 177.973 -1.323 1
1 1402 . 4 1 1 A 109 109 LYS CA C 109 57.792 59.003 -1.211 1
1 1403 . 4 1 1 A 109 109 LYS CB C 109 32.184 32.290 -0.106 1
1 1407 . 4 1 1 A 109 109 LYS N N 109 115.080 119.107 -4.027 1
1 1408 . 4 1 1 A 110 110 LYS H H 110 7.364 7.858 -0.494 1
1 1409 . 4 1 1 A 110 110 LYS HA H 110 4.016 4.257 -0.241 1
1 1418 . 4 1 1 A 110 110 LYS C C 110 175.890 175.496 0.394 1
1 1419 . 4 1 1 A 110 110 LYS CA C 110 56.550 56.343 0.207 1
1 1420 . 4 1 1 A 110 110 LYS CB C 110 32.972 32.012 0.960 1
1 1424 . 4 1 1 A 110 110 LYS N N 110 116.720 114.280 2.440 1
1 1425 . 4 1 1 A 111 111 ILE H H 111 6.626 6.999 -0.373 1
1 1426 . 4 1 1 A 111 111 ILE HA H 111 3.531 4.456 -0.925 1
1 1436 . 4 1 1 A 111 111 ILE C C 111 176.180 174.783 1.397 1
1 1437 . 4 1 1 A 111 111 ILE CA C 111 59.950 59.438 0.512 1
1 1438 . 4 1 1 A 111 111 ILE CB C 111 34.946 40.914 -5.968 1
1 1442 . 4 1 1 A 111 111 ILE N N 111 117.000 120.960 -3.960 1
1 1443 . 4 1 1 A 112 112 LYS H H 112 8.388 8.522 -0.134 1
1 1444 . 4 1 1 A 112 112 LYS HA H 112 4.356 4.768 -0.412 1
1 1453 . 4 1 1 A 112 112 LYS C C 112 175.750 176.975 -1.225 1
1 1454 . 4 1 1 A 112 112 LYS CA C 112 54.430 54.334 0.096 1
1 1455 . 4 1 1 A 112 112 LYS CB C 112 33.936 35.326 -1.390 1
1 1459 . 4 1 1 A 112 112 LYS N N 112 128.240 122.766 5.474 1
1 1460 . 4 1 1 A 113 113 ASP H H 113 8.103 8.897 -0.794 1
1 1461 . 4 1 1 A 113 113 ASP HA H 113 4.026 4.881 -0.855 1
1 1464 . 4 1 1 A 113 113 ASP C C 113 177.630 176.425 1.205 1
1 1465 . 4 1 1 A 113 113 ASP CA C 113 56.660 53.816 2.844 1
1 1466 . 4 1 1 A 113 113 ASP CB C 113 42.033 41.361 0.672 1
1 1467 . 4 1 1 A 113 113 ASP N N 113 119.040 121.888 -2.848 1
1 1468 . 4 1 1 A 114 114 GLY H H 114 8.635 7.388 1.247 1
1 1469 . 4 1 1 A 114 114 GLY HA2 H 114 3.547 4.064 -0.517 1
1 1470 . 4 1 1 A 114 114 GLY HA3 H 114 4.229 4.065 0.164 1
1 1471 . 4 1 1 A 114 114 GLY C C 114 174.640 173.552 1.088 1
1 1472 . 4 1 1 A 114 114 GLY CA C 114 45.403 45.542 -0.139 1
1 1473 . 4 1 1 A 114 114 GLY N N 114 113.170 106.698 6.472 1
1 1474 . 4 1 1 A 115 115 GLU H H 115 7.346 8.720 -1.374 1
1 1475 . 4 1 1 A 115 115 GLU HA H 115 4.113 4.640 -0.527 1
1 1480 . 4 1 1 A 115 115 GLU C C 115 175.840 175.532 0.308 1
1 1481 . 4 1 1 A 115 115 GLU CA C 115 58.180 55.499 2.681 1
1 1482 . 4 1 1 A 115 115 GLU CB C 115 30.902 30.569 0.333 1
1 1484 . 4 1 1 A 115 115 GLU N N 115 119.440 122.775 -3.335 1
1 1485 . 4 1 1 A 116 116 LYS H H 116 9.107 7.951 1.156 1
1 1486 . 4 1 1 A 116 116 LYS HA H 116 4.529 3.959 0.570 1
1 1495 . 4 1 1 A 116 116 LYS C C 116 176.050 175.075 0.975 1
1 1496 . 4 1 1 A 116 116 LYS CA C 116 56.820 56.850 -0.030 1
1 1497 . 4 1 1 A 116 116 LYS CB C 116 33.358 31.132 2.226 1
1 1501 . 4 1 1 A 116 116 LYS N N 116 121.800 115.780 6.020 1
1 1502 . 4 1 1 A 117 117 VAL H H 117 7.860 8.013 -0.153 1
1 1503 . 4 1 1 A 117 117 VAL HA H 117 4.668 4.054 0.614 1
1 1511 . 4 1 1 A 117 117 VAL C C 117 171.630 174.245 -2.615 1
1 1512 . 4 1 1 A 117 117 VAL CA C 117 57.440 61.476 -4.036 1
1 1513 . 4 1 1 A 117 117 VAL CB C 117 34.614 31.548 3.066 1
1 1516 . 4 1 1 A 117 117 VAL N N 117 118.940 124.285 -5.345 1
1 1517 . 4 1 1 A 118 118 ALA H H 118 8.310 9.052 -0.742 1
1 1518 . 4 1 1 A 118 118 ALA HA H 118 4.506 4.522 -0.016 1
1 1522 . 4 1 1 A 118 118 ALA C C 118 174.660 175.763 -1.103 1
1 1523 . 4 1 1 A 118 118 ALA CA C 118 50.370 50.442 -0.072 1
1 1524 . 4 1 1 A 118 118 ALA CB C 118 20.250 19.779 0.471 1
1 1525 . 4 1 1 A 118 118 ALA N N 118 130.190 131.466 -1.276 1
1 1526 . 4 1 1 A 119 119 VAL H H 119 8.295 8.640 -0.345 1
1 1527 . 4 1 1 A 119 119 VAL HA H 119 4.096 4.110 -0.014 1
1 1535 . 4 1 1 A 119 119 VAL C C 119 175.320 175.873 -0.553 1
1 1536 . 4 1 1 A 119 119 VAL CA C 119 61.570 61.618 -0.048 1
1 1537 . 4 1 1 A 119 119 VAL CB C 119 31.445 31.035 0.410 1
1 1540 . 4 1 1 A 119 119 VAL N N 119 123.160 123.578 -0.418 1
1 1541 . 4 1 1 A 120 120 ARG H H 120 8.596 8.697 -0.101 1
1 1542 . 4 1 1 A 120 120 ARG HA H 120 4.534 4.535 -0.001 1
1 1550 . 4 1 1 A 120 120 ARG C C 120 175.260 176.385 -1.125 1
1 1551 . 4 1 1 A 120 120 ARG CA C 120 53.740 53.559 0.181 1
1 1552 . 4 1 1 A 120 120 ARG CB C 120 34.359 33.784 0.575 1
1 1555 . 4 1 1 A 120 120 ARG N N 120 123.692 127.202 -3.510 1
1 1557 . 4 1 1 A 121 121 PHE H H 121 8.585 8.969 -0.384 1
1 1558 . 4 1 1 A 121 121 PHE HA H 121 4.591 4.286 0.305 1
1 1566 . 4 1 1 A 121 121 PHE C C 121 176.430 175.001 1.429 1
1 1567 . 4 1 1 A 121 121 PHE CA C 121 60.370 59.090 1.280 1
1 1568 . 4 1 1 A 121 121 PHE CB C 121 38.713 38.878 -0.165 1
1 1572 . 4 1 1 A 121 121 PHE N N 121 120.110 121.539 -1.429 1
1 1573 . 4 1 1 A 122 122 ALA H H 122 7.896 7.994 -0.098 1
1 1574 . 4 1 1 A 122 122 ALA HA H 122 4.304 3.957 0.347 1
1 1578 . 4 1 1 A 122 122 ALA C C 122 177.430 177.313 0.117 1
1 1579 . 4 1 1 A 122 122 ALA CA C 122 52.050 52.847 -0.797 1
1 1580 . 4 1 1 A 122 122 ALA CB C 122 19.865 17.104 2.761 1
1 1581 . 4 1 1 A 122 122 ALA N N 122 123.820 121.418 2.402 1
1 1582 . 4 1 1 A 123 123 SER H H 123 8.675 8.224 0.451 1
1 1583 . 4 1 1 A 123 123 SER HA H 123 4.372 4.689 -0.317 1
1 1586 . 4 1 1 A 123 123 SER C C 123 173.630 173.112 0.518 1
1 1587 . 4 1 1 A 123 123 SER CA C 123 58.750 57.822 0.928 1
1 1588 . 4 1 1 A 123 123 SER CB C 123 63.870 61.838 2.032 1
1 1589 . 4 1 1 A 123 123 SER N N 123 117.330 112.613 4.717 1
1 14 . 5 1 1 A 2 2 ARG H H 2 9.247 8.879 0.368 1
1 15 . 5 1 1 A 2 2 ARG HA H 2 5.249 4.858 0.391 1
1 23 . 5 1 1 A 2 2 ARG C C 2 176.020 175.547 0.473 1
1 24 . 5 1 1 A 2 2 ARG CA C 2 56.360 56.205 0.155 1
1 25 . 5 1 1 A 2 2 ARG CB C 2 31.953 31.692 0.261 1
1 28 . 5 1 1 A 2 2 ARG N N 2 129.420 127.300 2.120 1
1 30 . 5 1 1 A 3 3 VAL H H 3 9.361 8.143 1.218 1
1 31 . 5 1 1 A 3 3 VAL HA H 3 4.464 4.927 -0.463 1
1 39 . 5 1 1 A 3 3 VAL C C 3 173.160 173.719 -0.559 1
1 40 . 5 1 1 A 3 3 VAL CA C 3 61.330 60.214 1.116 1
1 41 . 5 1 1 A 3 3 VAL CB C 3 36.251 35.816 0.435 1
1 44 . 5 1 1 A 3 3 VAL N N 3 126.750 120.394 6.356 1
1 45 . 5 1 1 A 4 4 GLU H H 4 9.294 9.186 0.108 1
1 46 . 5 1 1 A 4 4 GLU HA H 4 4.807 5.235 -0.428 1
1 51 . 5 1 1 A 4 4 GLU C C 4 173.020 174.731 -1.711 1
1 52 . 5 1 1 A 4 4 GLU CA C 4 54.890 54.557 0.333 1
1 53 . 5 1 1 A 4 4 GLU CB C 4 33.146 33.089 0.057 1
1 55 . 5 1 1 A 4 4 GLU N N 4 128.550 127.246 1.304 1
1 56 . 5 1 1 A 5 5 LEU H H 5 8.685 9.081 -0.396 1
1 57 . 5 1 1 A 5 5 LEU HA H 5 4.547 4.747 -0.200 1
1 67 . 5 1 1 A 5 5 LEU C C 5 173.750 174.475 -0.725 1
1 68 . 5 1 1 A 5 5 LEU CA C 5 52.450 53.210 -0.760 1
1 69 . 5 1 1 A 5 5 LEU CB C 5 41.998 43.045 -1.047 1
1 73 . 5 1 1 A 5 5 LEU N N 5 124.490 128.209 -3.719 1
1 74 . 5 1 1 A 6 6 LEU H H 6 8.608 8.640 -0.032 1
1 75 . 5 1 1 A 6 6 LEU HA H 6 4.502 4.719 -0.217 1
1 85 . 5 1 1 A 6 6 LEU C C 6 176.550 173.910 2.640 1
1 86 . 5 1 1 A 6 6 LEU CA C 6 53.790 51.942 1.848 1
1 87 . 5 1 1 A 6 6 LEU CB C 6 42.240 46.160 -3.920 1
1 91 . 5 1 1 A 6 6 LEU N N 6 123.330 127.990 -4.660 1
1 92 . 5 1 1 A 7 7 PHE H H 7 8.344 8.513 -0.169 1
1 93 . 5 1 1 A 7 7 PHE HA H 7 5.378 4.864 0.514 1
1 101 . 5 1 1 A 7 7 PHE C C 7 175.050 175.972 -0.922 1
1 102 . 5 1 1 A 7 7 PHE CA C 7 55.830 56.813 -0.983 1
1 103 . 5 1 1 A 7 7 PHE CB C 7 39.383 43.508 -4.125 1
1 108 . 5 1 1 A 7 7 PHE N N 7 125.190 123.585 1.605 1
1 109 . 5 1 1 A 8 8 GLU H H 8 8.226 9.240 -1.014 1
1 110 . 5 1 1 A 8 8 GLU HA H 8 4.266 4.116 0.150 1
1 115 . 5 1 1 A 8 8 GLU C C 8 180.740 177.425 3.315 1
1 116 . 5 1 1 A 8 8 GLU CA C 8 59.530 59.852 -0.322 1
1 117 . 5 1 1 A 8 8 GLU CB C 8 29.723 29.424 0.299 1
1 119 . 5 1 1 A 8 8 GLU N N 8 120.100 123.048 -2.948 1
1 120 . 5 1 1 A 9 9 SER H H 9 9.069 8.292 0.777 1
1 121 . 5 1 1 A 9 9 SER HA H 9 4.467 4.608 -0.141 1
1 124 . 5 1 1 A 9 9 SER C C 9 173.740 174.170 -0.430 1
1 125 . 5 1 1 A 9 9 SER CA C 9 58.600 58.931 -0.331 1
1 126 . 5 1 1 A 9 9 SER CB C 9 63.120 64.126 -1.006 1
1 127 . 5 1 1 A 9 9 SER N N 9 112.770 112.373 0.397 1
1 128 . 5 1 1 A 10 10 GLY H H 10 6.925 7.585 -0.660 1
1 129 . 5 1 1 A 10 10 GLY HA2 H 10 3.896 4.134 -0.238 1
1 130 . 5 1 1 A 10 10 GLY HA3 H 10 3.896 4.174 -0.278 1
1 131 . 5 1 1 A 10 10 GLY C C 10 170.040 171.236 -1.196 1
1 132 . 5 1 1 A 10 10 GLY CA C 10 45.466 46.102 -0.636 1
1 133 . 5 1 1 A 10 10 GLY N N 10 105.760 106.574 -0.814 1
1 134 . 5 1 1 A 11 11 LYS H H 11 9.071 8.987 0.084 1
1 135 . 5 1 1 A 11 11 LYS HA H 11 5.484 5.211 0.273 1
1 144 . 5 1 1 A 11 11 LYS C C 11 174.230 174.477 -0.247 1
1 145 . 5 1 1 A 11 11 LYS CA C 11 55.460 54.890 0.570 1
1 146 . 5 1 1 A 11 11 LYS CB C 11 36.408 36.758 -0.350 1
1 150 . 5 1 1 A 11 11 LYS N N 11 118.960 116.920 2.040 1
1 151 . 5 1 1 A 12 12 CYS H H 12 8.917 9.331 -0.414 1
1 152 . 5 1 1 A 12 12 CYS HA H 12 5.083 5.131 -0.048 1
1 155 . 5 1 1 A 12 12 CYS C C 12 171.760 172.268 -0.508 1
1 156 . 5 1 1 A 12 12 CYS CA C 12 56.770 56.459 0.311 1
1 157 . 5 1 1 A 12 12 CYS CB C 12 31.267 32.334 -1.067 1
1 158 . 5 1 1 A 12 12 CYS N N 12 115.700 118.624 -2.924 1
1 159 . 5 1 1 A 13 13 VAL H H 13 8.474 8.553 -0.079 1
1 160 . 5 1 1 A 13 13 VAL HA H 13 4.992 4.913 0.079 1
1 168 . 5 1 1 A 13 13 VAL C C 13 175.660 175.323 0.337 1
1 169 . 5 1 1 A 13 13 VAL CA C 13 61.490 61.068 0.422 1
1 170 . 5 1 1 A 13 13 VAL CB C 13 35.125 35.167 -0.042 1
1 173 . 5 1 1 A 13 13 VAL N N 13 120.490 119.467 1.023 1
1 174 . 5 1 1 A 14 14 ILE H H 14 9.378 9.055 0.323 1
1 175 . 5 1 1 A 14 14 ILE HA H 14 5.335 5.445 -0.110 1
1 185 . 5 1 1 A 14 14 ILE C C 14 172.570 173.415 -0.845 1
1 186 . 5 1 1 A 14 14 ILE CA C 14 58.540 58.746 -0.206 1
1 187 . 5 1 1 A 14 14 ILE CB C 14 40.755 42.101 -1.346 1
1 191 . 5 1 1 A 14 14 ILE N N 14 120.140 122.442 -2.302 1
1 192 . 5 1 1 A 15 15 ASP H H 15 9.295 9.001 0.294 1
1 193 . 5 1 1 A 15 15 ASP HA H 15 5.274 5.485 -0.211 1
1 196 . 5 1 1 A 15 15 ASP C C 15 176.510 174.683 1.827 1
1 197 . 5 1 1 A 15 15 ASP CA C 15 53.050 52.840 0.210 1
1 198 . 5 1 1 A 15 15 ASP CB C 15 44.007 44.562 -0.555 1
1 199 . 5 1 1 A 15 15 ASP N N 15 123.200 124.378 -1.178 1
1 200 . 5 1 1 A 16 16 LEU H H 16 8.892 8.756 0.136 1
1 201 . 5 1 1 A 16 16 LEU HA H 16 4.981 5.256 -0.275 1
1 211 . 5 1 1 A 16 16 LEU C C 16 175.430 176.138 -0.708 1
1 212 . 5 1 1 A 16 16 LEU CA C 16 53.040 53.513 -0.473 1
1 213 . 5 1 1 A 16 16 LEU CB C 16 45.782 44.910 0.872 1
1 217 . 5 1 1 A 16 16 LEU N N 16 123.620 126.033 -2.413 1
1 218 . 5 1 1 A 17 17 ASN H H 17 8.694 8.431 0.263 1
1 219 . 5 1 1 A 17 17 ASN HA H 17 4.632 4.765 -0.133 1
1 224 . 5 1 1 A 17 17 ASN C C 17 175.500 176.455 -0.955 1
1 225 . 5 1 1 A 17 17 ASN CA C 17 53.310 53.507 -0.197 1
1 226 . 5 1 1 A 17 17 ASN CB C 17 38.508 39.594 -1.086 1
1 227 . 5 1 1 A 17 17 ASN N N 17 121.330 122.799 -1.469 1
1 229 . 5 1 1 A 18 18 GLU H H 18 8.793 8.978 -0.185 1
1 230 . 5 1 1 A 18 18 GLU HA H 18 3.736 4.266 -0.530 1
1 235 . 5 1 1 A 18 18 GLU C C 18 175.250 177.234 -1.984 1
1 236 . 5 1 1 A 18 18 GLU CA C 18 58.330 58.152 0.178 1
1 237 . 5 1 1 A 18 18 GLU CB C 18 29.947 29.352 0.595 1
1 239 . 5 1 1 A 18 18 GLU N N 18 124.750 126.533 -1.783 1
1 240 . 5 1 1 A 19 19 GLU H H 19 8.187 7.586 0.601 1
1 241 . 5 1 1 A 19 19 GLU HA H 19 3.885 4.259 -0.374 1
1 246 . 5 1 1 A 19 19 GLU C C 19 177.350 175.672 1.678 1
1 247 . 5 1 1 A 19 19 GLU CA C 19 57.730 56.844 0.886 1
1 248 . 5 1 1 A 19 19 GLU CB C 19 29.744 29.640 0.104 1
1 250 . 5 1 1 A 19 19 GLU N N 19 117.280 117.514 -0.234 1
1 251 . 5 1 1 A 20 20 TYR H H 20 7.135 7.147 -0.012 1
1 252 . 5 1 1 A 20 20 TYR HA H 20 4.668 4.880 -0.212 1
1 259 . 5 1 1 A 20 20 TYR CA C 20 56.050 57.506 -1.456 1
1 260 . 5 1 1 A 20 20 TYR CB C 20 38.464 40.437 -1.973 1
1 263 . 5 1 1 A 20 20 TYR N N 20 117.730 120.045 -2.315 1
1 264 . 5 1 1 A 21 21 GLU H H 21 10.044 9.116 0.928 1
1 265 . 5 1 1 A 21 21 GLU HA H 21 3.807 3.938 -0.131 1
1 270 . 5 1 1 A 21 21 GLU C C 21 179.150 178.100 1.050 1
1 271 . 5 1 1 A 21 21 GLU CA C 21 60.640 60.422 0.218 1
1 272 . 5 1 1 A 21 21 GLU CB C 21 29.167 29.829 -0.662 1
1 274 . 5 1 1 A 21 21 GLU N N 21 129.480 124.484 4.996 1
1 275 . 5 1 1 A 22 22 VAL H H 22 9.539 8.117 1.422 1
1 276 . 5 1 1 A 22 22 VAL HA H 22 3.574 3.761 -0.187 1
1 284 . 5 1 1 A 22 22 VAL C C 22 175.490 177.482 -1.992 1
1 285 . 5 1 1 A 22 22 VAL CA C 22 64.470 65.046 -0.576 1
1 286 . 5 1 1 A 22 22 VAL CB C 22 30.858 30.880 -0.022 1
1 289 . 5 1 1 A 22 22 VAL N N 22 115.360 118.834 -3.474 1
1 290 . 5 1 1 A 23 23 VAL H H 23 6.843 7.826 -0.983 1
1 291 . 5 1 1 A 23 23 VAL HA H 23 3.387 3.597 -0.210 1
1 299 . 5 1 1 A 23 23 VAL C C 23 176.900 178.084 -1.184 1
1 300 . 5 1 1 A 23 23 VAL CA C 23 67.030 66.627 0.403 1
1 301 . 5 1 1 A 23 23 VAL CB C 23 31.499 31.509 -0.010 1
1 304 . 5 1 1 A 23 23 VAL N N 23 121.150 121.285 -0.135 1
1 305 . 5 1 1 A 24 24 LYS H H 24 7.533 7.541 -0.008 1
1 306 . 5 1 1 A 24 24 LYS HA H 24 3.851 3.978 -0.127 1
1 315 . 5 1 1 A 24 24 LYS C C 24 179.820 179.540 0.280 1
1 316 . 5 1 1 A 24 24 LYS CA C 24 60.480 60.073 0.407 1
1 317 . 5 1 1 A 24 24 LYS CB C 24 32.626 32.407 0.219 1
1 321 . 5 1 1 A 24 24 LYS N N 24 120.120 119.472 0.648 1
1 322 . 5 1 1 A 25 25 LEU H H 25 7.870 8.077 -0.207 1
1 323 . 5 1 1 A 25 25 LEU HA H 25 4.097 4.069 0.028 1
1 333 . 5 1 1 A 25 25 LEU C C 25 180.620 179.272 1.348 1
1 334 . 5 1 1 A 25 25 LEU CA C 25 57.440 57.971 -0.531 1
1 335 . 5 1 1 A 25 25 LEU CB C 25 41.717 41.466 0.251 1
1 339 . 5 1 1 A 25 25 LEU N N 25 117.260 120.230 -2.970 1
1 340 . 5 1 1 A 26 26 LEU H H 26 8.489 8.458 0.031 1
1 341 . 5 1 1 A 26 26 LEU HA H 26 3.703 3.893 -0.190 1
1 351 . 5 1 1 A 26 26 LEU C C 26 178.820 179.333 -0.513 1
1 352 . 5 1 1 A 26 26 LEU CA C 26 58.310 57.789 0.521 1
1 353 . 5 1 1 A 26 26 LEU CB C 26 42.487 41.749 0.738 1
1 357 . 5 1 1 A 26 26 LEU N N 26 121.760 119.381 2.379 1
1 358 . 5 1 1 A 27 27 LYS H H 27 8.190 8.201 -0.011 1
1 359 . 5 1 1 A 27 27 LYS HA H 27 3.799 4.294 -0.495 1
1 368 . 5 1 1 A 27 27 LYS C C 27 177.470 179.047 -1.577 1
1 369 . 5 1 1 A 27 27 LYS CA C 27 60.480 59.400 1.080 1
1 370 . 5 1 1 A 27 27 LYS CB C 27 33.472 32.161 1.311 1
1 374 . 5 1 1 A 27 27 LYS N N 27 117.650 120.810 -3.160 1
1 375 . 5 1 1 A 28 28 GLU H H 28 6.841 7.870 -1.029 1
1 376 . 5 1 1 A 28 28 GLU HA H 28 4.238 4.296 -0.058 1
1 381 . 5 1 1 A 28 28 GLU C C 28 177.280 177.395 -0.115 1
1 382 . 5 1 1 A 28 28 GLU CA C 28 57.370 58.471 -1.101 1
1 383 . 5 1 1 A 28 28 GLU CB C 28 30.480 29.487 0.993 1
1 385 . 5 1 1 A 28 28 GLU N N 28 111.940 118.245 -6.305 1
1 386 . 5 1 1 A 29 29 LYS H H 29 7.577 8.044 -0.467 1
1 387 . 5 1 1 A 29 29 LYS HA H 29 4.414 4.474 -0.060 1
1 396 . 5 1 1 A 29 29 LYS C C 29 175.230 175.019 0.211 1
1 397 . 5 1 1 A 29 29 LYS CA C 29 53.800 54.990 -1.190 1
1 398 . 5 1 1 A 29 29 LYS CB C 29 33.530 32.842 0.688 1
1 402 . 5 1 1 A 29 29 LYS N N 29 115.460 117.911 -2.451 1
1 403 . 5 1 1 A 30 30 ILE H H 30 6.921 7.619 -0.698 1
1 404 . 5 1 1 A 30 30 ILE HA H 30 3.939 4.677 -0.738 1
1 414 . 5 1 1 A 30 30 ILE CA C 30 60.290 57.423 2.867 1
1 415 . 5 1 1 A 30 30 ILE CB C 30 39.967 40.876 -0.909 1
1 419 . 5 1 1 A 30 30 ILE N N 30 122.100 121.005 1.095 1
1 420 . 5 1 1 A 31 31 PRO HA H 31 4.840 4.813 0.027 1
1 427 . 5 1 1 A 31 31 PRO C C 31 175.340 176.363 -1.023 1
1 428 . 5 1 1 A 31 31 PRO CA C 31 62.720 62.592 0.128 1
1 429 . 5 1 1 A 31 31 PRO CB C 31 36.350 33.136 3.214 1
1 432 . 5 1 1 A 32 32 PHE H H 32 7.627 8.810 -1.183 1
1 433 . 5 1 1 A 32 32 PHE HA H 32 4.959 5.041 -0.082 1
1 441 . 5 1 1 A 32 32 PHE C C 32 171.870 172.311 -0.441 1
1 442 . 5 1 1 A 32 32 PHE CA C 32 56.300 56.297 0.003 1
1 443 . 5 1 1 A 32 32 PHE CB C 32 40.253 41.459 -1.206 1
1 447 . 5 1 1 A 32 32 PHE N N 32 112.880 117.203 -4.323 1
1 448 . 5 1 1 A 33 33 GLU H H 33 8.728 8.776 -0.048 1
1 449 . 5 1 1 A 33 33 GLU HA H 33 5.309 5.186 0.123 1
1 454 . 5 1 1 A 33 33 GLU C C 33 175.630 175.127 0.503 1
1 455 . 5 1 1 A 33 33 GLU CA C 33 54.450 54.752 -0.302 1
1 456 . 5 1 1 A 33 33 GLU CB C 33 33.814 32.837 0.977 1
1 458 . 5 1 1 A 33 33 GLU N N 33 118.710 119.652 -0.942 1
1 459 . 5 1 1 A 34 34 SER H H 34 8.964 8.297 0.667 1
1 460 . 5 1 1 A 34 34 SER HA H 34 4.803 4.907 -0.104 1
1 463 . 5 1 1 A 34 34 SER C C 34 174.560 173.097 1.463 1
1 464 . 5 1 1 A 34 34 SER CA C 34 55.830 56.468 -0.638 1
1 465 . 5 1 1 A 34 34 SER CB C 34 64.270 66.317 -2.047 1
1 466 . 5 1 1 A 34 34 SER N N 34 115.150 115.357 -0.207 1
1 467 . 5 1 1 A 35 35 VAL H H 35 8.322 8.823 -0.501 1
1 468 . 5 1 1 A 35 35 VAL HA H 35 4.724 4.108 0.616 1
1 476 . 5 1 1 A 35 35 VAL C C 35 174.950 175.530 -0.580 1
1 477 . 5 1 1 A 35 35 VAL CA C 35 61.350 63.200 -1.850 1
1 478 . 5 1 1 A 35 35 VAL CB C 35 35.676 31.668 4.008 1
1 481 . 5 1 1 A 35 35 VAL N N 35 121.700 123.215 -1.515 1
1 482 . 5 1 1 A 36 36 VAL H H 36 9.200 8.714 0.486 1
1 483 . 5 1 1 A 36 36 VAL HA H 36 3.999 4.391 -0.392 1
1 491 . 5 1 1 A 36 36 VAL C C 36 175.490 175.115 0.375 1
1 492 . 5 1 1 A 36 36 VAL CA C 36 63.900 62.433 1.467 1
1 493 . 5 1 1 A 36 36 VAL CB C 36 33.593 30.186 3.407 1
1 496 . 5 1 1 A 36 36 VAL N N 36 123.870 128.295 -4.425 1
1 497 . 5 1 1 A 37 37 ASN H H 37 8.739 8.293 0.446 1
1 498 . 5 1 1 A 37 37 ASN HA H 37 5.276 4.692 0.584 1
1 503 . 5 1 1 A 37 37 ASN C C 37 174.040 175.077 -1.037 1
1 504 . 5 1 1 A 37 37 ASN CA C 37 51.960 53.668 -1.708 1
1 505 . 5 1 1 A 37 37 ASN CB C 37 41.996 38.896 3.100 1
1 506 . 5 1 1 A 37 37 ASN N N 37 123.895 124.932 -1.037 1
1 508 . 5 1 1 A 38 38 THR H H 38 8.703 8.781 -0.078 1
1 509 . 5 1 1 A 38 38 THR HA H 38 5.323 5.223 0.100 1
1 514 . 5 1 1 A 38 38 THR C C 38 174.910 173.179 1.731 1
1 515 . 5 1 1 A 38 38 THR CA C 38 59.740 59.626 0.114 1
1 516 . 5 1 1 A 38 38 THR CB C 38 71.332 72.260 -0.928 1
1 518 . 5 1 1 A 38 38 THR N N 38 111.440 110.581 0.859 1
1 519 . 5 1 1 A 39 39 TRP H H 39 8.489 8.791 -0.302 1
1 520 . 5 1 1 A 39 39 TRP HA H 39 4.838 4.964 -0.126 1
1 529 . 5 1 1 A 39 39 TRP C C 39 175.270 176.190 -0.920 1
1 530 . 5 1 1 A 39 39 TRP CA C 39 57.040 56.895 0.145 1
1 531 . 5 1 1 A 39 39 TRP CB C 39 29.089 31.800 -2.711 1
1 537 . 5 1 1 A 39 39 TRP N N 39 125.321 123.003 2.318 1
1 539 . 5 1 1 A 40 40 GLY H H 40 8.596 9.080 -0.484 1
1 540 . 5 1 1 A 40 40 GLY HA2 H 40 3.528 3.544 -0.016 1
1 541 . 5 1 1 A 40 40 GLY HA3 H 40 3.465 3.772 -0.307 1
1 542 . 5 1 1 A 40 40 GLY CA C 40 47.619 45.987 1.632 1
1 543 . 5 1 1 A 40 40 GLY N N 40 113.220 116.490 -3.270 1
1 544 . 5 1 1 A 41 41 GLU H H 41 7.870 8.217 -0.347 1
1 545 . 5 1 1 A 41 41 GLU HA H 41 3.717 4.156 -0.439 1
1 550 . 5 1 1 A 41 41 GLU C C 41 171.810 174.286 -2.476 1
1 551 . 5 1 1 A 41 41 GLU CA C 41 55.390 55.253 0.137 1
1 552 . 5 1 1 A 41 41 GLU CB C 41 26.025 29.657 -3.632 1
1 554 . 5 1 1 A 41 41 GLU N N 41 128.227 122.171 6.056 1
1 555 . 5 1 1 A 42 42 GLU H H 42 7.158 7.619 -0.461 1
1 556 . 5 1 1 A 42 42 GLU HA H 42 4.811 4.755 0.056 1
1 561 . 5 1 1 A 42 42 GLU C C 42 175.680 173.636 2.044 1
1 562 . 5 1 1 A 42 42 GLU CA C 42 53.860 55.146 -1.286 1
1 563 . 5 1 1 A 42 42 GLU CB C 42 31.149 33.242 -2.093 1
1 565 . 5 1 1 A 42 42 GLU N N 42 116.880 114.829 2.051 1
1 566 . 5 1 1 A 43 43 ILE H H 43 8.226 8.044 0.182 1
1 567 . 5 1 1 A 43 43 ILE HA H 43 4.934 5.170 -0.236 1
1 577 . 5 1 1 A 43 43 ILE C C 43 174.420 174.616 -0.196 1
1 578 . 5 1 1 A 43 43 ILE CA C 43 59.250 60.509 -1.259 1
1 579 . 5 1 1 A 43 43 ILE CB C 43 43.278 41.456 1.822 1
1 583 . 5 1 1 A 43 43 ILE N N 43 125.120 120.922 4.198 1
1 584 . 5 1 1 A 44 44 TYR H H 44 9.318 8.367 0.951 1
1 585 . 5 1 1 A 44 44 TYR HA H 44 6.008 5.466 0.542 1
1 592 . 5 1 1 A 44 44 TYR C C 44 174.150 173.018 1.132 1
1 593 . 5 1 1 A 44 44 TYR CA C 44 55.740 55.291 0.449 1
1 594 . 5 1 1 A 44 44 TYR CB C 44 42.606 41.543 1.063 1
1 597 . 5 1 1 A 44 44 TYR N N 44 124.370 123.734 0.636 1
1 598 . 5 1 1 A 45 45 PHE H H 45 8.211 8.797 -0.586 1
1 599 . 5 1 1 A 45 45 PHE HA H 45 5.088 5.479 -0.391 1
1 607 . 5 1 1 A 45 45 PHE C C 45 173.730 173.382 0.348 1
1 608 . 5 1 1 A 45 45 PHE CA C 45 55.140 55.482 -0.342 1
1 609 . 5 1 1 A 45 45 PHE CB C 45 40.793 42.121 -1.328 1
1 613 . 5 1 1 A 45 45 PHE N N 45 114.110 117.084 -2.974 1
1 614 . 5 1 1 A 46 46 SER H H 46 9.523 8.926 0.597 1
1 615 . 5 1 1 A 46 46 SER HA H 46 4.316 4.963 -0.647 1
1 618 . 5 1 1 A 46 46 SER C C 46 174.360 174.198 0.162 1
1 619 . 5 1 1 A 46 46 SER CA C 46 59.960 58.018 1.942 1
1 620 . 5 1 1 A 46 46 SER CB C 46 63.980 62.962 1.018 1
1 621 . 5 1 1 A 46 46 SER N N 46 117.150 114.881 2.269 1
1 622 . 5 1 1 A 47 47 THR H H 47 8.225 8.526 -0.301 1
1 623 . 5 1 1 A 47 47 THR HA H 47 4.971 4.837 0.134 1
1 628 . 5 1 1 A 47 47 THR CA C 47 59.160 60.471 -1.311 1
1 629 . 5 1 1 A 47 47 THR CB C 47 70.385 69.022 1.363 1
1 631 . 5 1 1 A 47 47 THR N N 47 113.910 116.644 -2.734 1
1 632 . 5 1 1 A 48 48 PRO HA H 48 4.585 4.506 0.079 1
1 639 . 5 1 1 A 48 48 PRO C C 48 175.940 176.457 -0.517 1
1 640 . 5 1 1 A 48 48 PRO CA C 48 62.410 63.968 -1.558 1
1 641 . 5 1 1 A 48 48 PRO CB C 48 31.770 31.878 -0.108 1
1 644 . 5 1 1 A 49 49 VAL H H 49 7.458 7.434 0.024 1
1 645 . 5 1 1 A 49 49 VAL HA H 49 4.178 3.996 0.182 1
1 653 . 5 1 1 A 49 49 VAL C C 49 174.070 175.376 -1.306 1
1 654 . 5 1 1 A 49 49 VAL CA C 49 60.840 62.341 -1.501 1
1 655 . 5 1 1 A 49 49 VAL CB C 49 34.134 32.814 1.320 1
1 658 . 5 1 1 A 49 49 VAL N N 49 114.800 117.767 -2.967 1
1 659 . 5 1 1 A 50 50 ASN H H 50 8.897 8.693 0.204 1
1 660 . 5 1 1 A 50 50 ASN HA H 50 4.684 5.628 -0.944 1
1 665 . 5 1 1 A 50 50 ASN C C 50 173.550 174.304 -0.754 1
1 666 . 5 1 1 A 50 50 ASN CA C 50 51.610 52.025 -0.415 1
1 667 . 5 1 1 A 50 50 ASN CB C 50 39.730 41.004 -1.274 1
1 668 . 5 1 1 A 50 50 ASN N N 50 126.400 125.932 0.468 1
1 670 . 5 1 1 A 51 51 VAL H H 51 7.587 9.045 -1.458 1
1 671 . 5 1 1 A 51 51 VAL HA H 51 4.148 4.847 -0.699 1
1 679 . 5 1 1 A 51 51 VAL C C 51 174.350 175.393 -1.043 1
1 680 . 5 1 1 A 51 51 VAL CA C 51 61.280 60.159 1.121 1
1 681 . 5 1 1 A 51 51 VAL CB C 51 35.206 35.650 -0.444 1
1 684 . 5 1 1 A 51 51 VAL N N 51 122.670 124.039 -1.369 1
1 685 . 5 1 1 A 52 52 GLN H H 52 8.337 8.975 -0.638 1
1 686 . 5 1 1 A 52 52 GLN HA H 52 4.094 4.700 -0.606 1
1 693 . 5 1 1 A 52 52 GLN C C 52 176.240 175.156 1.084 1
1 694 . 5 1 1 A 52 52 GLN CA C 52 56.560 55.492 1.068 1
1 695 . 5 1 1 A 52 52 GLN CB C 52 29.745 29.620 0.125 1
1 697 . 5 1 1 A 52 52 GLN N N 52 122.670 122.558 0.112 1
1 699 . 5 1 1 A 53 53 LYS H H 53 7.363 7.558 -0.195 1
1 700 . 5 1 1 A 53 53 LYS HA H 53 3.994 4.797 -0.803 1
1 709 . 5 1 1 A 53 53 LYS C C 53 176.010 175.342 0.668 1
1 710 . 5 1 1 A 53 53 LYS CA C 53 56.960 55.490 1.470 1
1 711 . 5 1 1 A 53 53 LYS CB C 53 33.000 34.164 -1.164 1
1 715 . 5 1 1 A 53 53 LYS N N 53 119.940 122.161 -2.221 1
1 716 . 5 1 1 A 54 54 MET H H 54 8.797 8.650 0.147 1
1 717 . 5 1 1 A 54 54 MET HA H 54 4.449 5.219 -0.770 1
1 725 . 5 1 1 A 54 54 MET C C 54 174.630 176.016 -1.386 1
1 726 . 5 1 1 A 54 54 MET CA C 54 54.530 53.553 0.977 1
1 727 . 5 1 1 A 54 54 MET CB C 54 36.912 34.435 2.477 1
1 730 . 5 1 1 A 54 54 MET N N 54 124.720 124.926 -0.206 1
1 731 . 5 1 1 A 55 55 GLU H H 55 9.773 8.697 1.076 1
1 732 . 5 1 1 A 55 55 GLU HA H 55 4.029 4.339 -0.310 1
1 737 . 5 1 1 A 55 55 GLU C C 55 176.930 176.920 0.010 1
1 738 . 5 1 1 A 55 55 GLU CA C 55 59.910 58.560 1.350 1
1 739 . 5 1 1 A 55 55 GLU CB C 55 29.611 30.550 -0.939 1
1 741 . 5 1 1 A 55 55 GLU N N 55 124.250 122.915 1.335 1
1 742 . 5 1 1 A 56 56 ASN H H 56 8.371 7.906 0.465 1
1 743 . 5 1 1 A 56 56 ASN HA H 56 5.163 5.166 -0.003 1
1 748 . 5 1 1 A 56 56 ASN CA C 56 50.680 50.565 0.115 1
1 749 . 5 1 1 A 56 56 ASN CB C 56 39.563 39.331 0.232 1
1 750 . 5 1 1 A 56 56 ASN N N 56 115.600 118.704 -3.104 1
1 752 . 5 1 1 A 57 57 PRO HA H 57 4.854 4.689 0.165 1
1 759 . 5 1 1 A 57 57 PRO C C 57 178.760 176.480 2.280 1
1 760 . 5 1 1 A 57 57 PRO CA C 57 62.630 62.513 0.117 1
1 761 . 5 1 1 A 57 57 PRO CB C 57 32.197 30.577 1.620 1
1 764 . 5 1 1 A 58 58 ARG H H 58 9.448 8.578 0.870 1
1 765 . 5 1 1 A 58 58 ARG HA H 58 4.636 4.683 -0.047 1
1 773 . 5 1 1 A 58 58 ARG C C 58 175.430 176.138 -0.708 1
1 774 . 5 1 1 A 58 58 ARG CA C 58 54.210 55.242 -1.032 1
1 775 . 5 1 1 A 58 58 ARG CB C 58 34.208 31.356 2.852 1
1 778 . 5 1 1 A 58 58 ARG N N 58 122.690 123.081 -0.391 1
1 780 . 5 1 1 A 59 59 GLU H H 59 8.694 8.848 -0.154 1
1 781 . 5 1 1 A 59 59 GLU HA H 59 4.096 4.662 -0.566 1
1 786 . 5 1 1 A 59 59 GLU C C 59 175.210 175.563 -0.353 1
1 787 . 5 1 1 A 59 59 GLU CA C 59 56.470 56.096 0.374 1
1 788 . 5 1 1 A 59 59 GLU CB C 59 31.074 31.175 -0.101 1
1 790 . 5 1 1 A 59 59 GLU N N 59 119.520 119.078 0.442 1
1 791 . 5 1 1 A 60 60 VAL H H 60 7.296 7.573 -0.277 1
1 792 . 5 1 1 A 60 60 VAL HA H 60 4.471 4.800 -0.329 1
1 800 . 5 1 1 A 60 60 VAL C C 60 174.900 174.651 0.249 1
1 801 . 5 1 1 A 60 60 VAL CA C 60 61.058 60.025 1.033 1
1 802 . 5 1 1 A 60 60 VAL CB C 60 35.056 36.454 -1.398 1
1 805 . 5 1 1 A 60 60 VAL N N 60 117.380 119.603 -2.223 1
1 806 . 5 1 1 A 61 61 VAL H H 61 8.064 8.592 -0.528 1
1 807 . 5 1 1 A 61 61 VAL HA H 61 4.540 4.969 -0.429 1
1 815 . 5 1 1 A 61 61 VAL C C 61 172.880 174.489 -1.609 1
1 816 . 5 1 1 A 61 61 VAL CA C 61 58.820 58.815 0.005 1
1 817 . 5 1 1 A 61 61 VAL CB C 61 33.464 36.170 -2.706 1
1 820 . 5 1 1 A 61 61 VAL N N 61 117.630 119.376 -1.746 1
1 821 . 5 1 1 A 62 62 GLU H H 62 8.620 8.583 0.037 1
1 822 . 5 1 1 A 62 62 GLU HA H 62 4.543 4.733 -0.190 1
1 827 . 5 1 1 A 62 62 GLU C C 62 176.350 177.033 -0.683 1
1 828 . 5 1 1 A 62 62 GLU CA C 62 53.640 54.531 -0.891 1
1 829 . 5 1 1 A 62 62 GLU CB C 62 32.360 32.486 -0.126 1
1 831 . 5 1 1 A 62 62 GLU N N 62 118.060 119.668 -1.608 1
1 832 . 5 1 1 A 63 63 ILE H H 63 8.520 8.403 0.117 1
1 833 . 5 1 1 A 63 63 ILE HA H 63 3.275 4.173 -0.898 1
1 843 . 5 1 1 A 63 63 ILE C C 63 177.940 176.242 1.698 1
1 844 . 5 1 1 A 63 63 ILE CA C 63 64.410 62.134 2.276 1
1 845 . 5 1 1 A 63 63 ILE CB C 63 37.674 37.651 0.023 1
1 849 . 5 1 1 A 63 63 ILE N N 63 120.310 120.884 -0.574 1
1 850 . 5 1 1 A 64 64 GLY H H 64 9.091 7.942 1.149 1
1 851 . 5 1 1 A 64 64 GLY HA2 H 64 3.563 4.181 -0.618 1
1 852 . 5 1 1 A 64 64 GLY HA3 H 64 4.774 4.213 0.561 1
1 853 . 5 1 1 A 64 64 GLY C C 64 173.290 173.041 0.249 1
1 854 . 5 1 1 A 64 64 GLY CA C 64 45.359 45.735 -0.376 1
1 855 . 5 1 1 A 64 64 GLY N N 64 116.340 109.921 6.419 1
1 856 . 5 1 1 A 65 65 ASP H H 65 8.335 7.911 0.424 1
1 857 . 5 1 1 A 65 65 ASP HA H 65 4.914 5.275 -0.361 1
1 860 . 5 1 1 A 65 65 ASP C C 65 175.180 175.184 -0.004 1
1 861 . 5 1 1 A 65 65 ASP CA C 65 56.630 52.695 3.935 1
1 862 . 5 1 1 A 65 65 ASP CB C 65 41.980 44.428 -2.448 1
1 863 . 5 1 1 A 65 65 ASP N N 65 121.610 119.258 2.352 1
1 864 . 5 1 1 A 66 66 VAL H H 66 7.580 8.701 -1.121 1
1 865 . 5 1 1 A 66 66 VAL HA H 66 5.085 4.651 0.434 1
1 873 . 5 1 1 A 66 66 VAL C C 66 176.170 176.095 0.075 1
1 874 . 5 1 1 A 66 66 VAL CA C 66 60.240 60.969 -0.729 1
1 875 . 5 1 1 A 66 66 VAL CB C 66 33.783 34.543 -0.760 1
1 878 . 5 1 1 A 66 66 VAL N N 66 117.330 120.787 -3.457 1
1 879 . 5 1 1 A 67 67 GLY H H 67 9.592 8.473 1.119 1
1 880 . 5 1 1 A 67 67 GLY HA2 H 67 5.899 4.309 1.590 1
1 881 . 5 1 1 A 67 67 GLY HA3 H 67 3.200 4.323 -1.123 1
1 882 . 5 1 1 A 67 67 GLY C C 67 171.740 172.002 -0.262 1
1 883 . 5 1 1 A 67 67 GLY CA C 67 43.580 44.303 -0.723 1
1 884 . 5 1 1 A 67 67 GLY N N 67 111.440 115.153 -3.713 1
1 885 . 5 1 1 A 68 68 TYR H H 68 9.146 8.863 0.283 1
1 886 . 5 1 1 A 68 68 TYR HA H 68 5.809 5.330 0.479 1
1 889 . 5 1 1 A 68 68 TYR C C 68 173.860 173.522 0.338 1
1 890 . 5 1 1 A 68 68 TYR CA C 68 55.900 56.478 -0.578 1
1 891 . 5 1 1 A 68 68 TYR CB C 68 42.170 42.208 -0.038 1
1 892 . 5 1 1 A 68 68 TYR N N 68 119.980 120.802 -0.822 1
1 893 . 5 1 1 A 69 69 TRP H H 69 9.213 8.332 0.881 1
1 894 . 5 1 1 A 69 69 TRP HA H 69 5.268 4.944 0.324 1
1 902 . 5 1 1 A 69 69 TRP CA C 69 53.390 55.067 -1.677 1
1 903 . 5 1 1 A 69 69 TRP CB C 69 30.442 30.137 0.305 1
1 908 . 5 1 1 A 69 69 TRP N N 69 132.150 129.577 2.573 1
1 910 . 5 1 1 A 70 70 PRO HA H 70 3.923 4.014 -0.091 1
1 917 . 5 1 1 A 70 70 PRO CA C 70 66.753 65.663 1.090 1
1 918 . 5 1 1 A 70 70 PRO CB C 70 30.054 31.641 -1.587 1
1 921 . 5 1 1 A 71 71 PRO HA H 71 3.716 4.279 -0.563 1
1 928 . 5 1 1 A 71 71 PRO CA C 71 65.803 64.755 1.048 1
1 929 . 5 1 1 A 71 71 PRO CB C 71 30.620 31.028 -0.408 1
1 932 . 5 1 1 A 72 72 GLY HA2 H 72 3.168 3.819 -0.651 1
1 933 . 5 1 1 A 72 72 GLY HA3 H 72 4.271 3.898 0.373 1
1 934 . 5 1 1 A 72 72 GLY C C 72 173.220 173.266 -0.046 1
1 935 . 5 1 1 A 72 72 GLY CA C 72 44.350 44.988 -0.638 1
1 936 . 5 1 1 A 73 73 LYS H H 73 7.989 7.676 0.313 1
1 937 . 5 1 1 A 73 73 LYS HA H 73 3.566 3.759 -0.193 1
1 946 . 5 1 1 A 73 73 LYS C C 73 177.420 174.984 2.436 1
1 947 . 5 1 1 A 73 73 LYS CA C 73 57.790 57.143 0.647 1
1 948 . 5 1 1 A 73 73 LYS CB C 73 29.398 29.789 -0.391 1
1 952 . 5 1 1 A 73 73 LYS N N 73 121.515 114.608 6.907 1
1 953 . 5 1 1 A 74 74 ALA H H 74 6.969 7.551 -0.582 1
1 954 . 5 1 1 A 74 74 ALA HA H 74 5.123 5.328 -0.205 1
1 958 . 5 1 1 A 74 74 ALA C C 74 177.490 175.780 1.710 1
1 959 . 5 1 1 A 74 74 ALA CA C 74 51.900 50.719 1.181 1
1 960 . 5 1 1 A 74 74 ALA CB C 74 23.090 23.302 -0.212 1
1 961 . 5 1 1 A 74 74 ALA N N 74 118.780 118.590 0.190 1
1 962 . 5 1 1 A 75 75 LEU H H 75 8.032 7.971 0.061 1
1 963 . 5 1 1 A 75 75 LEU HA H 75 4.844 4.888 -0.044 1
1 973 . 5 1 1 A 75 75 LEU C C 75 175.540 174.737 0.803 1
1 974 . 5 1 1 A 75 75 LEU CA C 75 54.000 52.555 1.445 1
1 975 . 5 1 1 A 75 75 LEU CB C 75 43.858 44.257 -0.399 1
1 979 . 5 1 1 A 75 75 LEU N N 75 122.780 118.476 4.304 1
1 980 . 5 1 1 A 76 76 CYS H H 76 8.813 8.468 0.345 1
1 981 . 5 1 1 A 76 76 CYS HA H 76 5.178 5.111 0.067 1
1 984 . 5 1 1 A 76 76 CYS C C 76 173.080 172.528 0.552 1
1 985 . 5 1 1 A 76 76 CYS CA C 76 55.850 56.771 -0.921 1
1 986 . 5 1 1 A 76 76 CYS CB C 76 31.922 31.511 0.411 1
1 987 . 5 1 1 A 76 76 CYS N N 76 117.950 118.240 -0.290 1
1 988 . 5 1 1 A 77 77 LEU H H 77 9.621 8.687 0.934 1
1 989 . 5 1 1 A 77 77 LEU HA H 77 4.741 4.834 -0.093 1
1 999 . 5 1 1 A 77 77 LEU C C 77 175.040 175.689 -0.649 1
1 1000 . 5 1 1 A 77 77 LEU CA C 77 53.510 53.951 -0.441 1
1 1001 . 5 1 1 A 77 77 LEU CB C 77 44.058 44.050 0.008 1
1 1005 . 5 1 1 A 77 77 LEU N N 77 123.140 121.759 1.381 1
1 1006 . 5 1 1 A 78 78 PHE H H 78 7.930 8.994 -1.064 1
1 1007 . 5 1 1 A 78 78 PHE HA H 78 4.809 4.923 -0.114 1
1 1015 . 5 1 1 A 78 78 PHE C C 78 174.830 176.641 -1.811 1
1 1016 . 5 1 1 A 78 78 PHE CA C 78 58.140 56.465 1.675 1
1 1017 . 5 1 1 A 78 78 PHE CB C 78 39.603 39.781 -0.178 1
1 1021 . 5 1 1 A 78 78 PHE N N 78 120.120 124.550 -4.430 1
1 1022 . 5 1 1 A 79 79 PHE H H 79 8.038 8.092 -0.054 1
1 1023 . 5 1 1 A 79 79 PHE HA H 79 5.029 5.200 -0.171 1
1 1031 . 5 1 1 A 79 79 PHE C C 79 172.070 174.999 -2.929 1
1 1032 . 5 1 1 A 79 79 PHE CA C 79 55.630 56.582 -0.952 1
1 1033 . 5 1 1 A 79 79 PHE CB C 79 39.003 41.095 -2.092 1
1 1037 . 5 1 1 A 79 79 PHE N N 79 119.040 118.762 0.278 1
1 1038 . 5 1 1 A 80 80 GLY H H 80 7.489 7.496 -0.007 1
1 1039 . 5 1 1 A 80 80 GLY HA2 H 80 3.653 3.930 -0.277 1
1 1040 . 5 1 1 A 80 80 GLY HA3 H 80 4.283 4.074 0.209 1
1 1041 . 5 1 1 A 80 80 GLY C C 80 170.830 171.543 -0.713 1
1 1042 . 5 1 1 A 80 80 GLY CA C 80 45.342 45.852 -0.510 1
1 1043 . 5 1 1 A 80 80 GLY N N 80 110.010 108.541 1.469 1
1 1044 . 5 1 1 A 81 81 LYS H H 81 8.186 8.693 -0.507 1
1 1045 . 5 1 1 A 81 81 LYS HA H 81 4.003 4.837 -0.834 1
1 1054 . 5 1 1 A 81 81 LYS C C 81 177.530 175.711 1.819 1
1 1055 . 5 1 1 A 81 81 LYS CA C 81 57.730 54.828 2.902 1
1 1056 . 5 1 1 A 81 81 LYS CB C 81 33.293 35.114 -1.821 1
1 1060 . 5 1 1 A 81 81 LYS N N 81 117.260 122.645 -5.385 1
1 1061 . 5 1 1 A 82 82 THR H H 82 8.076 8.622 -0.546 1
1 1062 . 5 1 1 A 82 82 THR HA H 82 4.423 4.427 -0.004 1
1 1067 . 5 1 1 A 82 82 THR CA C 82 59.230 60.155 -0.925 1
1 1068 . 5 1 1 A 82 82 THR CB C 82 68.310 68.543 -0.233 1
1 1070 . 5 1 1 A 82 82 THR N N 82 113.611 117.403 -3.792 1
1 1071 . 5 1 1 A 83 83 PRO HA H 83 4.090 4.326 -0.236 1
1 1078 . 5 1 1 A 83 83 PRO CA C 83 63.743 63.879 -0.136 1
1 1079 . 5 1 1 A 83 83 PRO CB C 83 32.167 31.262 0.905 1
1 1082 . 5 1 1 A 84 84 MET HA H 84 4.220 4.824 -0.604 1
1 1090 . 5 1 1 A 84 84 MET C C 84 175.920 175.428 0.492 1
1 1091 . 5 1 1 A 84 84 MET CA C 84 55.880 53.986 1.894 1
1 1092 . 5 1 1 A 84 84 MET CB C 84 33.070 34.672 -1.602 1
1 1095 . 5 1 1 A 85 85 SER H H 85 7.256 8.812 -1.556 1
1 1096 . 5 1 1 A 85 85 SER HA H 85 4.401 4.460 -0.059 1
1 1099 . 5 1 1 A 85 85 SER C C 85 173.380 173.490 -0.110 1
1 1100 . 5 1 1 A 85 85 SER CA C 85 58.230 59.669 -1.439 1
1 1101 . 5 1 1 A 85 85 SER CB C 85 64.290 62.807 1.483 1
1 1102 . 5 1 1 A 85 85 SER N N 85 111.370 117.810 -6.440 1
1 1103 . 5 1 1 A 86 86 ASP H H 86 8.517 8.956 -0.439 1
1 1104 . 5 1 1 A 86 86 ASP HA H 86 4.692 4.804 -0.112 1
1 1107 . 5 1 1 A 86 86 ASP C C 86 175.860 177.512 -1.652 1
1 1108 . 5 1 1 A 86 86 ASP CA C 86 54.150 55.036 -0.886 1
1 1109 . 5 1 1 A 86 86 ASP CB C 86 41.360 43.089 -1.729 1
1 1110 . 5 1 1 A 86 86 ASP N N 86 123.320 123.455 -0.135 1
1 1111 . 5 1 1 A 87 87 ASP H H 87 8.412 7.926 0.486 1
1 1112 . 5 1 1 A 87 87 ASP HA H 87 4.529 4.560 -0.031 1
1 1115 . 5 1 1 A 87 87 ASP C C 87 175.270 176.482 -1.212 1
1 1116 . 5 1 1 A 87 87 ASP CA C 87 54.870 56.077 -1.207 1
1 1117 . 5 1 1 A 87 87 ASP CB C 87 41.580 40.681 0.899 1
1 1118 . 5 1 1 A 87 87 ASP N N 87 118.900 117.777 1.123 1
1 1119 . 5 1 1 A 88 88 LYS H H 88 7.869 7.657 0.212 1
1 1120 . 5 1 1 A 88 88 LYS HA H 88 4.372 4.641 -0.269 1
1 1129 . 5 1 1 A 88 88 LYS C C 88 174.870 176.446 -1.576 1
1 1130 . 5 1 1 A 88 88 LYS CA C 88 54.580 55.467 -0.887 1
1 1131 . 5 1 1 A 88 88 LYS CB C 88 34.047 34.143 -0.096 1
1 1135 . 5 1 1 A 88 88 LYS N N 88 118.310 115.074 3.236 1
1 1136 . 5 1 1 A 89 89 ILE H H 89 8.604 8.219 0.385 1
1 1137 . 5 1 1 A 89 89 ILE HA H 89 3.873 3.826 0.047 1
1 1147 . 5 1 1 A 89 89 ILE C C 89 174.480 175.737 -1.257 1
1 1148 . 5 1 1 A 89 89 ILE CA C 89 61.890 62.356 -0.466 1
1 1149 . 5 1 1 A 89 89 ILE CB C 89 36.398 37.758 -1.360 1
1 1153 . 5 1 1 A 89 89 ILE N N 89 121.510 121.551 -0.041 1
1 1154 . 5 1 1 A 90 90 GLN H H 90 8.015 8.726 -0.711 1
1 1155 . 5 1 1 A 90 90 GLN HA H 90 5.033 4.650 0.383 1
1 1162 . 5 1 1 A 90 90 GLN CA C 90 52.110 52.276 -0.166 1
1 1163 . 5 1 1 A 90 90 GLN CB C 90 32.045 30.376 1.669 1
1 1165 . 5 1 1 A 90 90 GLN N N 90 126.430 126.498 -0.068 1
1 1167 . 5 1 1 A 91 91 PRO HA H 91 4.508 4.988 -0.480 1
1 1174 . 5 1 1 A 91 91 PRO C C 91 175.210 176.444 -1.234 1
1 1175 . 5 1 1 A 91 91 PRO CA C 91 61.680 62.502 -0.822 1
1 1176 . 5 1 1 A 91 91 PRO CB C 91 32.854 33.367 -0.513 1
1 1179 . 5 1 1 A 92 92 ALA H H 92 8.014 8.558 -0.544 1
1 1180 . 5 1 1 A 92 92 ALA HA H 92 3.931 4.357 -0.426 1
1 1184 . 5 1 1 A 92 92 ALA CA C 92 55.270 53.492 1.778 1
1 1185 . 5 1 1 A 92 92 ALA CB C 92 18.838 19.585 -0.747 1
1 1186 . 5 1 1 A 92 92 ALA N N 92 121.420 122.064 -0.644 1
1 1187 . 5 1 1 A 93 93 SER H H 93 7.391 7.864 -0.473 1
1 1188 . 5 1 1 A 93 93 SER HA H 93 4.223 4.595 -0.372 1
1 1191 . 5 1 1 A 93 93 SER C C 93 171.670 172.772 -1.102 1
1 1192 . 5 1 1 A 93 93 SER CA C 93 57.240 56.854 0.386 1
1 1193 . 5 1 1 A 93 93 SER CB C 93 63.620 64.537 -0.917 1
1 1194 . 5 1 1 A 93 93 SER N N 93 105.210 112.200 -6.990 1
1 1195 . 5 1 1 A 94 94 ALA H H 94 8.276 8.479 -0.203 1
1 1196 . 5 1 1 A 94 94 ALA HA H 94 4.113 4.558 -0.445 1
1 1200 . 5 1 1 A 94 94 ALA C C 94 177.150 177.146 0.004 1
1 1201 . 5 1 1 A 94 94 ALA CA C 94 53.810 51.804 2.006 1
1 1202 . 5 1 1 A 94 94 ALA CB C 94 19.219 17.364 1.855 1
1 1203 . 5 1 1 A 94 94 ALA N N 94 117.972 125.622 -7.650 1
1 1204 . 5 1 1 A 95 95 VAL H H 95 7.886 8.287 -0.401 1
1 1205 . 5 1 1 A 95 95 VAL HA H 95 5.037 4.172 0.865 1
1 1213 . 5 1 1 A 95 95 VAL C C 95 174.060 175.553 -1.493 1
1 1214 . 5 1 1 A 95 95 VAL CA C 95 57.510 62.136 -4.626 1
1 1215 . 5 1 1 A 95 95 VAL CB C 95 35.106 32.900 2.206 1
1 1218 . 5 1 1 A 95 95 VAL N N 95 108.410 117.888 -9.478 1
1 1219 . 5 1 1 A 96 96 ASN H H 96 9.178 8.685 0.493 1
1 1220 . 5 1 1 A 96 96 ASN HA H 96 4.897 5.190 -0.293 1
1 1225 . 5 1 1 A 96 96 ASN C C 96 176.600 175.718 0.882 1
1 1226 . 5 1 1 A 96 96 ASN CA C 96 50.790 53.470 -2.680 1
1 1227 . 5 1 1 A 96 96 ASN CB C 96 39.637 38.950 0.687 1
1 1228 . 5 1 1 A 96 96 ASN N N 96 121.250 123.047 -1.797 1
1 1230 . 5 1 1 A 97 97 VAL H H 97 8.503 8.284 0.219 1
1 1231 . 5 1 1 A 97 97 VAL HA H 97 4.421 4.375 0.046 1
1 1239 . 5 1 1 A 97 97 VAL C C 97 176.450 176.792 -0.342 1
1 1240 . 5 1 1 A 97 97 VAL CA C 97 66.030 61.833 4.197 1
1 1241 . 5 1 1 A 97 97 VAL CB C 97 30.552 29.714 0.838 1
1 1244 . 5 1 1 A 97 97 VAL N N 97 129.670 126.408 3.262 1
1 1245 . 5 1 1 A 98 98 ILE H H 98 8.129 7.874 0.255 1
1 1246 . 5 1 1 A 98 98 ILE HA H 98 4.628 3.989 0.639 1
1 1256 . 5 1 1 A 98 98 ILE C C 98 174.270 176.467 -2.197 1
1 1257 . 5 1 1 A 98 98 ILE CA C 98 61.240 63.820 -2.580 1
1 1258 . 5 1 1 A 98 98 ILE CB C 98 39.812 37.704 2.108 1
1 1262 . 5 1 1 A 98 98 ILE N N 98 119.500 120.047 -0.547 1
1 1263 . 5 1 1 A 99 99 GLY H H 99 7.668 7.851 -0.183 1
1 1264 . 5 1 1 A 99 99 GLY HA2 H 99 4.435 4.171 0.264 1
1 1265 . 5 1 1 A 99 99 GLY HA3 H 99 4.637 4.178 0.459 1
1 1266 . 5 1 1 A 99 99 GLY C C 99 172.410 172.216 0.194 1
1 1267 . 5 1 1 A 99 99 GLY CA C 99 46.906 44.305 2.601 1
1 1268 . 5 1 1 A 99 99 GLY N N 99 107.230 111.002 -3.772 1
1 1269 . 5 1 1 A 100 100 LYS H H 100 8.347 8.499 -0.152 1
1 1270 . 5 1 1 A 100 100 LYS HA H 100 5.540 5.179 0.361 1
1 1279 . 5 1 1 A 100 100 LYS C C 100 175.740 174.979 0.761 1
1 1280 . 5 1 1 A 100 100 LYS CA C 100 54.150 54.813 -0.663 1
1 1281 . 5 1 1 A 100 100 LYS CB C 100 37.900 36.162 1.738 1
1 1285 . 5 1 1 A 100 100 LYS N N 100 119.730 121.071 -1.341 1
1 1286 . 5 1 1 A 101 101 ILE H H 101 9.542 9.138 0.404 1
1 1287 . 5 1 1 A 101 101 ILE HA H 101 4.184 4.206 -0.022 1
1 1297 . 5 1 1 A 101 101 ILE C C 101 176.010 176.843 -0.833 1
1 1298 . 5 1 1 A 101 101 ILE CA C 101 62.940 61.649 1.291 1
1 1299 . 5 1 1 A 101 101 ILE CB C 101 39.212 37.096 2.116 1
1 1303 . 5 1 1 A 101 101 ILE N N 101 124.050 127.056 -3.006 1
1 1304 . 5 1 1 A 102 102 VAL H H 102 8.728 8.572 0.156 1
1 1305 . 5 1 1 A 102 102 VAL HA H 102 4.591 4.328 0.263 1
1 1313 . 5 1 1 A 102 102 VAL C C 102 175.730 175.832 -0.102 1
1 1314 . 5 1 1 A 102 102 VAL CA C 102 62.030 62.831 -0.801 1
1 1315 . 5 1 1 A 102 102 VAL CB C 102 33.307 32.719 0.588 1
1 1318 . 5 1 1 A 102 102 VAL N N 102 121.420 123.201 -1.781 1
1 1319 . 5 1 1 A 103 103 GLU H H 103 7.912 7.625 0.287 1
1 1320 . 5 1 1 A 103 103 GLU HA H 103 4.661 4.657 0.004 1
1 1325 . 5 1 1 A 103 103 GLU C C 103 176.520 175.985 0.535 1
1 1326 . 5 1 1 A 103 103 GLU CA C 103 56.550 55.474 1.076 1
1 1327 . 5 1 1 A 103 103 GLU CB C 103 34.180 33.499 0.681 1
1 1329 . 5 1 1 A 103 103 GLU N N 103 120.750 120.014 0.736 1
1 1330 . 5 1 1 A 104 104 GLY H H 104 8.934 8.726 0.208 1
1 1331 . 5 1 1 A 104 104 GLY HA2 H 104 3.932 4.037 -0.105 1
1 1332 . 5 1 1 A 104 104 GLY HA3 H 104 4.345 4.049 0.296 1
1 1333 . 5 1 1 A 104 104 GLY C C 104 175.230 175.322 -0.092 1
1 1334 . 5 1 1 A 104 104 GLY CA C 104 46.616 45.823 0.793 1
1 1335 . 5 1 1 A 104 104 GLY N N 104 111.140 111.005 0.135 1
1 1336 . 5 1 1 A 105 105 LEU H H 105 8.158 7.862 0.296 1
1 1337 . 5 1 1 A 105 105 LEU HA H 105 3.702 3.915 -0.213 1
1 1347 . 5 1 1 A 105 105 LEU C C 105 179.250 178.277 0.973 1
1 1348 . 5 1 1 A 105 105 LEU CA C 105 59.400 57.685 1.715 1
1 1349 . 5 1 1 A 105 105 LEU CB C 105 42.743 41.837 0.906 1
1 1353 . 5 1 1 A 105 105 LEU N N 105 121.390 122.303 -0.913 1
1 1354 . 5 1 1 A 106 106 GLU H H 106 8.944 8.494 0.450 1
1 1355 . 5 1 1 A 106 106 GLU HA H 106 3.978 4.293 -0.315 1
1 1360 . 5 1 1 A 106 106 GLU C C 106 178.120 177.619 0.501 1
1 1361 . 5 1 1 A 106 106 GLU CA C 106 58.720 58.930 -0.210 1
1 1362 . 5 1 1 A 106 106 GLU CB C 106 28.920 29.197 -0.277 1
1 1364 . 5 1 1 A 106 106 GLU N N 106 113.860 117.969 -4.109 1
1 1365 . 5 1 1 A 107 107 ASP H H 107 7.538 7.899 -0.361 1
1 1366 . 5 1 1 A 107 107 ASP HA H 107 4.344 4.510 -0.166 1
1 1369 . 5 1 1 A 107 107 ASP C C 107 178.190 177.612 0.578 1
1 1370 . 5 1 1 A 107 107 ASP CA C 107 55.780 55.456 0.324 1
1 1371 . 5 1 1 A 107 107 ASP CB C 107 41.191 40.492 0.699 1
1 1372 . 5 1 1 A 107 107 ASP N N 107 119.620 118.888 0.732 1
1 1373 . 5 1 1 A 108 108 LEU H H 108 7.115 7.410 -0.295 1
1 1374 . 5 1 1 A 108 108 LEU HA H 108 3.357 3.747 -0.390 1
1 1384 . 5 1 1 A 108 108 LEU C C 108 177.920 179.225 -1.305 1
1 1385 . 5 1 1 A 108 108 LEU CA C 108 57.000 57.004 -0.004 1
1 1386 . 5 1 1 A 108 108 LEU CB C 108 38.445 40.295 -1.850 1
1 1390 . 5 1 1 A 108 108 LEU N N 108 117.551 119.308 -1.757 1
1 1391 . 5 1 1 A 109 109 LYS H H 109 7.179 7.838 -0.659 1
1 1392 . 5 1 1 A 109 109 LYS HA H 109 3.879 4.172 -0.293 1
1 1401 . 5 1 1 A 109 109 LYS C C 109 176.650 178.066 -1.416 1
1 1402 . 5 1 1 A 109 109 LYS CA C 109 57.792 59.117 -1.325 1
1 1403 . 5 1 1 A 109 109 LYS CB C 109 32.184 31.981 0.203 1
1 1407 . 5 1 1 A 109 109 LYS N N 109 115.080 118.550 -3.470 1
1 1408 . 5 1 1 A 110 110 LYS H H 110 7.364 7.961 -0.597 1
1 1409 . 5 1 1 A 110 110 LYS HA H 110 4.016 4.312 -0.296 1
1 1418 . 5 1 1 A 110 110 LYS C C 110 175.890 175.607 0.283 1
1 1419 . 5 1 1 A 110 110 LYS CA C 110 56.550 56.414 0.136 1
1 1420 . 5 1 1 A 110 110 LYS CB C 110 32.972 32.059 0.913 1
1 1424 . 5 1 1 A 110 110 LYS N N 110 116.720 114.280 2.440 1
1 1425 . 5 1 1 A 111 111 ILE H H 111 6.626 7.462 -0.836 1
1 1426 . 5 1 1 A 111 111 ILE HA H 111 3.531 4.321 -0.790 1
1 1436 . 5 1 1 A 111 111 ILE C C 111 176.180 174.876 1.304 1
1 1437 . 5 1 1 A 111 111 ILE CA C 111 59.950 59.778 0.172 1
1 1438 . 5 1 1 A 111 111 ILE CB C 111 34.946 40.126 -5.180 1
1 1442 . 5 1 1 A 111 111 ILE N N 111 117.000 121.756 -4.756 1
1 1443 . 5 1 1 A 112 112 LYS H H 112 8.388 8.503 -0.115 1
1 1444 . 5 1 1 A 112 112 LYS HA H 112 4.356 4.798 -0.442 1
1 1453 . 5 1 1 A 112 112 LYS C C 112 175.750 176.983 -1.233 1
1 1454 . 5 1 1 A 112 112 LYS CA C 112 54.430 53.987 0.443 1
1 1455 . 5 1 1 A 112 112 LYS CB C 112 33.936 35.454 -1.518 1
1 1459 . 5 1 1 A 112 112 LYS N N 112 128.240 122.941 5.299 1
1 1460 . 5 1 1 A 113 113 ASP H H 113 8.103 8.917 -0.814 1
1 1461 . 5 1 1 A 113 113 ASP HA H 113 4.026 4.887 -0.861 1
1 1464 . 5 1 1 A 113 113 ASP C C 113 177.630 176.585 1.045 1
1 1465 . 5 1 1 A 113 113 ASP CA C 113 56.660 54.561 2.099 1
1 1466 . 5 1 1 A 113 113 ASP CB C 113 42.033 40.545 1.488 1
1 1467 . 5 1 1 A 113 113 ASP N N 113 119.040 121.764 -2.724 1
1 1468 . 5 1 1 A 114 114 GLY H H 114 8.635 7.429 1.206 1
1 1469 . 5 1 1 A 114 114 GLY HA2 H 114 3.547 4.080 -0.533 1
1 1470 . 5 1 1 A 114 114 GLY HA3 H 114 4.229 4.083 0.146 1
1 1471 . 5 1 1 A 114 114 GLY C C 114 174.640 173.721 0.919 1
1 1472 . 5 1 1 A 114 114 GLY CA C 114 45.403 45.746 -0.343 1
1 1473 . 5 1 1 A 114 114 GLY N N 114 113.170 106.643 6.527 1
1 1474 . 5 1 1 A 115 115 GLU H H 115 7.346 8.638 -1.292 1
1 1475 . 5 1 1 A 115 115 GLU HA H 115 4.113 4.597 -0.484 1
1 1480 . 5 1 1 A 115 115 GLU C C 115 175.840 175.453 0.387 1
1 1481 . 5 1 1 A 115 115 GLU CA C 115 58.180 55.463 2.717 1
1 1482 . 5 1 1 A 115 115 GLU CB C 115 30.902 30.278 0.624 1
1 1484 . 5 1 1 A 115 115 GLU N N 115 119.440 122.343 -2.903 1
1 1485 . 5 1 1 A 116 116 LYS H H 116 9.107 7.948 1.159 1
1 1486 . 5 1 1 A 116 116 LYS HA H 116 4.529 4.151 0.378 1
1 1495 . 5 1 1 A 116 116 LYS C C 116 176.050 175.624 0.426 1
1 1496 . 5 1 1 A 116 116 LYS CA C 116 56.820 56.672 0.148 1
1 1497 . 5 1 1 A 116 116 LYS CB C 116 33.358 31.246 2.112 1
1 1501 . 5 1 1 A 116 116 LYS N N 116 121.800 116.116 5.684 1
1 1502 . 5 1 1 A 117 117 VAL H H 117 7.860 8.201 -0.341 1
1 1503 . 5 1 1 A 117 117 VAL HA H 117 4.668 4.482 0.186 1
1 1511 . 5 1 1 A 117 117 VAL C C 117 171.630 174.903 -3.273 1
1 1512 . 5 1 1 A 117 117 VAL CA C 117 57.440 61.309 -3.869 1
1 1513 . 5 1 1 A 117 117 VAL CB C 117 34.614 32.331 2.283 1
1 1516 . 5 1 1 A 117 117 VAL N N 117 118.940 122.332 -3.392 1
1 1517 . 5 1 1 A 118 118 ALA H H 118 8.310 8.362 -0.052 1
1 1518 . 5 1 1 A 118 118 ALA HA H 118 4.506 4.878 -0.372 1
1 1522 . 5 1 1 A 118 118 ALA C C 118 174.660 175.344 -0.684 1
1 1523 . 5 1 1 A 118 118 ALA CA C 118 50.370 50.605 -0.235 1
1 1524 . 5 1 1 A 118 118 ALA CB C 118 20.250 21.033 -0.783 1
1 1525 . 5 1 1 A 118 118 ALA N N 118 130.190 124.029 6.161 1
1 1526 . 5 1 1 A 119 119 VAL H H 119 8.295 8.815 -0.520 1
1 1527 . 5 1 1 A 119 119 VAL HA H 119 4.096 4.182 -0.086 1
1 1535 . 5 1 1 A 119 119 VAL C C 119 175.320 175.652 -0.332 1
1 1536 . 5 1 1 A 119 119 VAL CA C 119 61.570 62.156 -0.586 1
1 1537 . 5 1 1 A 119 119 VAL CB C 119 31.445 30.792 0.653 1
1 1540 . 5 1 1 A 119 119 VAL N N 119 123.160 123.264 -0.104 1
1 1541 . 5 1 1 A 120 120 ARG H H 120 8.596 8.842 -0.246 1
1 1542 . 5 1 1 A 120 120 ARG HA H 120 4.534 4.562 -0.028 1
1 1550 . 5 1 1 A 120 120 ARG C C 120 175.260 176.526 -1.266 1
1 1551 . 5 1 1 A 120 120 ARG CA C 120 53.740 53.722 0.018 1
1 1552 . 5 1 1 A 120 120 ARG CB C 120 34.359 33.100 1.259 1
1 1555 . 5 1 1 A 120 120 ARG N N 120 123.692 127.435 -3.743 1
1 1557 . 5 1 1 A 121 121 PHE H H 121 8.585 8.833 -0.248 1
1 1558 . 5 1 1 A 121 121 PHE HA H 121 4.591 4.351 0.240 1
1 1566 . 5 1 1 A 121 121 PHE C C 121 176.430 175.796 0.634 1
1 1567 . 5 1 1 A 121 121 PHE CA C 121 60.370 58.376 1.994 1
1 1568 . 5 1 1 A 121 121 PHE CB C 121 38.713 38.679 0.034 1
1 1572 . 5 1 1 A 121 121 PHE N N 121 120.110 121.466 -1.356 1
1 1573 . 5 1 1 A 122 122 ALA H H 122 7.896 7.887 0.009 1
1 1574 . 5 1 1 A 122 122 ALA HA H 122 4.304 3.966 0.338 1
1 1578 . 5 1 1 A 122 122 ALA C C 122 177.430 177.447 -0.017 1
1 1579 . 5 1 1 A 122 122 ALA CA C 122 52.050 54.265 -2.215 1
1 1580 . 5 1 1 A 122 122 ALA CB C 122 19.865 18.103 1.762 1
1 1581 . 5 1 1 A 122 122 ALA N N 122 123.820 121.210 2.610 1
1 1582 . 5 1 1 A 123 123 SER H H 123 8.675 8.739 -0.064 1
1 1583 . 5 1 1 A 123 123 SER HA H 123 4.372 4.459 -0.087 1
1 1586 . 5 1 1 A 123 123 SER C C 123 173.630 173.641 -0.011 1
1 1587 . 5 1 1 A 123 123 SER CA C 123 58.750 59.756 -1.006 1
1 1588 . 5 1 1 A 123 123 SER CB C 123 63.870 61.314 2.556 1
1 1589 . 5 1 1 A 123 123 SER N N 123 117.330 114.956 2.374 1
1 14 . 6 1 1 A 2 2 ARG H H 2 9.247 8.699 0.548 1
1 15 . 6 1 1 A 2 2 ARG HA H 2 5.249 4.521 0.728 1
1 23 . 6 1 1 A 2 2 ARG C C 2 176.020 175.242 0.778 1
1 24 . 6 1 1 A 2 2 ARG CA C 2 56.360 56.715 -0.355 1
1 25 . 6 1 1 A 2 2 ARG CB C 2 31.953 31.529 0.424 1
1 28 . 6 1 1 A 2 2 ARG N N 2 129.420 127.128 2.292 1
1 30 . 6 1 1 A 3 3 VAL H H 3 9.361 8.231 1.130 1
1 31 . 6 1 1 A 3 3 VAL HA H 3 4.464 5.023 -0.559 1
1 39 . 6 1 1 A 3 3 VAL C C 3 173.160 174.527 -1.367 1
1 40 . 6 1 1 A 3 3 VAL CA C 3 61.330 60.411 0.919 1
1 41 . 6 1 1 A 3 3 VAL CB C 3 36.251 35.984 0.267 1
1 44 . 6 1 1 A 3 3 VAL N N 3 126.750 120.224 6.526 1
1 45 . 6 1 1 A 4 4 GLU H H 4 9.294 9.294 0.000 1
1 46 . 6 1 1 A 4 4 GLU HA H 4 4.807 4.994 -0.187 1
1 51 . 6 1 1 A 4 4 GLU C C 4 173.020 174.649 -1.629 1
1 52 . 6 1 1 A 4 4 GLU CA C 4 54.890 54.774 0.116 1
1 53 . 6 1 1 A 4 4 GLU CB C 4 33.146 32.949 0.197 1
1 55 . 6 1 1 A 4 4 GLU N N 4 128.550 127.598 0.952 1
1 56 . 6 1 1 A 5 5 LEU H H 5 8.685 9.024 -0.339 1
1 57 . 6 1 1 A 5 5 LEU HA H 5 4.547 4.504 0.043 1
1 67 . 6 1 1 A 5 5 LEU C C 5 173.750 175.674 -1.924 1
1 68 . 6 1 1 A 5 5 LEU CA C 5 52.450 53.806 -1.356 1
1 69 . 6 1 1 A 5 5 LEU CB C 5 41.998 40.813 1.185 1
1 73 . 6 1 1 A 5 5 LEU N N 5 124.490 128.350 -3.860 1
1 74 . 6 1 1 A 6 6 LEU H H 6 8.608 8.654 -0.046 1
1 75 . 6 1 1 A 6 6 LEU HA H 6 4.502 4.256 0.246 1
1 85 . 6 1 1 A 6 6 LEU C C 6 176.550 175.273 1.277 1
1 86 . 6 1 1 A 6 6 LEU CA C 6 53.790 54.624 -0.834 1
1 87 . 6 1 1 A 6 6 LEU CB C 6 42.240 42.192 0.048 1
1 91 . 6 1 1 A 6 6 LEU N N 6 123.330 125.778 -2.448 1
1 92 . 6 1 1 A 7 7 PHE H H 7 8.344 8.900 -0.556 1
1 93 . 6 1 1 A 7 7 PHE HA H 7 5.378 4.896 0.482 1
1 101 . 6 1 1 A 7 7 PHE C C 7 175.050 176.012 -0.962 1
1 102 . 6 1 1 A 7 7 PHE CA C 7 55.830 56.728 -0.898 1
1 103 . 6 1 1 A 7 7 PHE CB C 7 39.383 43.372 -3.989 1
1 108 . 6 1 1 A 7 7 PHE N N 7 125.190 120.753 4.437 1
1 109 . 6 1 1 A 8 8 GLU H H 8 8.226 9.343 -1.117 1
1 110 . 6 1 1 A 8 8 GLU HA H 8 4.266 4.108 0.158 1
1 115 . 6 1 1 A 8 8 GLU C C 8 180.740 178.362 2.378 1
1 116 . 6 1 1 A 8 8 GLU CA C 8 59.530 59.917 -0.387 1
1 117 . 6 1 1 A 8 8 GLU CB C 8 29.723 29.388 0.335 1
1 119 . 6 1 1 A 8 8 GLU N N 8 120.100 122.362 -2.262 1
1 120 . 6 1 1 A 9 9 SER H H 9 9.069 8.178 0.891 1
1 121 . 6 1 1 A 9 9 SER HA H 9 4.467 4.439 0.028 1
1 124 . 6 1 1 A 9 9 SER C C 9 173.740 174.435 -0.695 1
1 125 . 6 1 1 A 9 9 SER CA C 9 58.600 59.698 -1.098 1
1 126 . 6 1 1 A 9 9 SER CB C 9 63.120 63.417 -0.297 1
1 127 . 6 1 1 A 9 9 SER N N 9 112.770 113.386 -0.616 1
1 128 . 6 1 1 A 10 10 GLY H H 10 6.925 7.538 -0.613 1
1 129 . 6 1 1 A 10 10 GLY HA2 H 10 3.896 4.016 -0.120 1
1 130 . 6 1 1 A 10 10 GLY HA3 H 10 3.896 4.072 -0.176 1
1 131 . 6 1 1 A 10 10 GLY C C 10 170.040 171.262 -1.222 1
1 132 . 6 1 1 A 10 10 GLY CA C 10 45.466 46.019 -0.553 1
1 133 . 6 1 1 A 10 10 GLY N N 10 105.760 105.887 -0.127 1
1 134 . 6 1 1 A 11 11 LYS H H 11 9.071 9.011 0.060 1
1 135 . 6 1 1 A 11 11 LYS HA H 11 5.484 5.582 -0.098 1
1 144 . 6 1 1 A 11 11 LYS C C 11 174.230 174.365 -0.135 1
1 145 . 6 1 1 A 11 11 LYS CA C 11 55.460 54.968 0.492 1
1 146 . 6 1 1 A 11 11 LYS CB C 11 36.408 36.392 0.016 1
1 150 . 6 1 1 A 11 11 LYS N N 11 118.960 116.828 2.132 1
1 151 . 6 1 1 A 12 12 CYS H H 12 8.917 9.030 -0.113 1
1 152 . 6 1 1 A 12 12 CYS HA H 12 5.083 5.333 -0.250 1
1 155 . 6 1 1 A 12 12 CYS C C 12 171.760 172.883 -1.123 1
1 156 . 6 1 1 A 12 12 CYS CA C 12 56.770 57.615 -0.845 1
1 157 . 6 1 1 A 12 12 CYS CB C 12 31.267 33.088 -1.821 1
1 158 . 6 1 1 A 12 12 CYS N N 12 115.700 119.251 -3.551 1
1 159 . 6 1 1 A 13 13 VAL H H 13 8.474 8.746 -0.272 1
1 160 . 6 1 1 A 13 13 VAL HA H 13 4.992 4.681 0.311 1
1 168 . 6 1 1 A 13 13 VAL C C 13 175.660 175.192 0.468 1
1 169 . 6 1 1 A 13 13 VAL CA C 13 61.490 61.468 0.022 1
1 170 . 6 1 1 A 13 13 VAL CB C 13 35.125 34.367 0.758 1
1 173 . 6 1 1 A 13 13 VAL N N 13 120.490 121.770 -1.280 1
1 174 . 6 1 1 A 14 14 ILE H H 14 9.378 8.880 0.498 1
1 175 . 6 1 1 A 14 14 ILE HA H 14 5.335 5.178 0.157 1
1 185 . 6 1 1 A 14 14 ILE C C 14 172.570 174.014 -1.444 1
1 186 . 6 1 1 A 14 14 ILE CA C 14 58.540 59.251 -0.711 1
1 187 . 6 1 1 A 14 14 ILE CB C 14 40.755 39.560 1.195 1
1 191 . 6 1 1 A 14 14 ILE N N 14 120.140 123.500 -3.360 1
1 192 . 6 1 1 A 15 15 ASP H H 15 9.295 9.138 0.157 1
1 193 . 6 1 1 A 15 15 ASP HA H 15 5.274 5.295 -0.021 1
1 196 . 6 1 1 A 15 15 ASP C C 15 176.510 174.921 1.589 1
1 197 . 6 1 1 A 15 15 ASP CA C 15 53.050 52.953 0.097 1
1 198 . 6 1 1 A 15 15 ASP CB C 15 44.007 42.448 1.559 1
1 199 . 6 1 1 A 15 15 ASP N N 15 123.200 125.853 -2.653 1
1 200 . 6 1 1 A 16 16 LEU H H 16 8.892 9.368 -0.476 1
1 201 . 6 1 1 A 16 16 LEU HA H 16 4.981 5.267 -0.286 1
1 211 . 6 1 1 A 16 16 LEU C C 16 175.430 175.259 0.171 1
1 212 . 6 1 1 A 16 16 LEU CA C 16 53.040 53.661 -0.621 1
1 213 . 6 1 1 A 16 16 LEU CB C 16 45.782 43.257 2.525 1
1 217 . 6 1 1 A 16 16 LEU N N 16 123.620 127.632 -4.012 1
1 218 . 6 1 1 A 17 17 ASN H H 17 8.694 8.629 0.065 1
1 219 . 6 1 1 A 17 17 ASN HA H 17 4.632 4.893 -0.261 1
1 224 . 6 1 1 A 17 17 ASN C C 17 175.500 176.817 -1.317 1
1 225 . 6 1 1 A 17 17 ASN CA C 17 53.310 53.059 0.251 1
1 226 . 6 1 1 A 17 17 ASN CB C 17 38.508 39.239 -0.731 1
1 227 . 6 1 1 A 17 17 ASN N N 17 121.330 123.192 -1.862 1
1 229 . 6 1 1 A 18 18 GLU H H 18 8.793 9.117 -0.324 1
1 230 . 6 1 1 A 18 18 GLU HA H 18 3.736 4.237 -0.501 1
1 235 . 6 1 1 A 18 18 GLU C C 18 175.250 177.904 -2.654 1
1 236 . 6 1 1 A 18 18 GLU CA C 18 58.330 58.376 -0.046 1
1 237 . 6 1 1 A 18 18 GLU CB C 18 29.947 29.327 0.620 1
1 239 . 6 1 1 A 18 18 GLU N N 18 124.750 126.328 -1.578 1
1 240 . 6 1 1 A 19 19 GLU H H 19 8.187 7.820 0.367 1
1 241 . 6 1 1 A 19 19 GLU HA H 19 3.885 4.211 -0.326 1
1 246 . 6 1 1 A 19 19 GLU C C 19 177.350 176.678 0.672 1
1 247 . 6 1 1 A 19 19 GLU CA C 19 57.730 58.306 -0.576 1
1 248 . 6 1 1 A 19 19 GLU CB C 19 29.744 29.642 0.102 1
1 250 . 6 1 1 A 19 19 GLU N N 19 117.280 117.614 -0.334 1
1 251 . 6 1 1 A 20 20 TYR H H 20 7.135 7.336 -0.201 1
1 252 . 6 1 1 A 20 20 TYR HA H 20 4.668 4.643 0.025 1
1 259 . 6 1 1 A 20 20 TYR CA C 20 56.050 58.377 -2.327 1
1 260 . 6 1 1 A 20 20 TYR CB C 20 38.464 39.222 -0.758 1
1 263 . 6 1 1 A 20 20 TYR N N 20 117.730 119.803 -2.073 1
1 264 . 6 1 1 A 21 21 GLU H H 21 10.044 9.089 0.955 1
1 265 . 6 1 1 A 21 21 GLU HA H 21 3.807 3.946 -0.139 1
1 270 . 6 1 1 A 21 21 GLU C C 21 179.150 178.403 0.747 1
1 271 . 6 1 1 A 21 21 GLU CA C 21 60.640 60.161 0.479 1
1 272 . 6 1 1 A 21 21 GLU CB C 21 29.167 29.849 -0.682 1
1 274 . 6 1 1 A 21 21 GLU N N 21 129.480 125.738 3.742 1
1 275 . 6 1 1 A 22 22 VAL H H 22 9.539 8.311 1.228 1
1 276 . 6 1 1 A 22 22 VAL HA H 22 3.574 3.698 -0.124 1
1 284 . 6 1 1 A 22 22 VAL C C 22 175.490 177.773 -2.283 1
1 285 . 6 1 1 A 22 22 VAL CA C 22 64.470 65.319 -0.849 1
1 286 . 6 1 1 A 22 22 VAL CB C 22 30.858 31.349 -0.491 1
1 289 . 6 1 1 A 22 22 VAL N N 22 115.360 118.846 -3.486 1
1 290 . 6 1 1 A 23 23 VAL H H 23 6.843 8.256 -1.413 1
1 291 . 6 1 1 A 23 23 VAL HA H 23 3.387 3.664 -0.277 1
1 299 . 6 1 1 A 23 23 VAL C C 23 176.900 178.275 -1.375 1
1 300 . 6 1 1 A 23 23 VAL CA C 23 67.030 66.764 0.266 1
1 301 . 6 1 1 A 23 23 VAL CB C 23 31.499 31.712 -0.213 1
1 304 . 6 1 1 A 23 23 VAL N N 23 121.150 121.239 -0.089 1
1 305 . 6 1 1 A 24 24 LYS H H 24 7.533 7.675 -0.142 1
1 306 . 6 1 1 A 24 24 LYS HA H 24 3.851 3.991 -0.140 1
1 315 . 6 1 1 A 24 24 LYS C C 24 179.820 179.470 0.350 1
1 316 . 6 1 1 A 24 24 LYS CA C 24 60.480 59.904 0.576 1
1 317 . 6 1 1 A 24 24 LYS CB C 24 32.626 32.388 0.238 1
1 321 . 6 1 1 A 24 24 LYS N N 24 120.120 119.619 0.501 1
1 322 . 6 1 1 A 25 25 LEU H H 25 7.870 8.050 -0.180 1
1 323 . 6 1 1 A 25 25 LEU HA H 25 4.097 4.179 -0.082 1
1 333 . 6 1 1 A 25 25 LEU C C 25 180.620 179.474 1.146 1
1 334 . 6 1 1 A 25 25 LEU CA C 25 57.440 57.237 0.203 1
1 335 . 6 1 1 A 25 25 LEU CB C 25 41.717 41.377 0.340 1
1 339 . 6 1 1 A 25 25 LEU N N 25 117.260 119.945 -2.685 1
1 340 . 6 1 1 A 26 26 LEU H H 26 8.489 8.211 0.278 1
1 341 . 6 1 1 A 26 26 LEU HA H 26 3.703 3.982 -0.279 1
1 351 . 6 1 1 A 26 26 LEU C C 26 178.820 179.113 -0.293 1
1 352 . 6 1 1 A 26 26 LEU CA C 26 58.310 57.113 1.197 1
1 353 . 6 1 1 A 26 26 LEU CB C 26 42.487 41.311 1.176 1
1 357 . 6 1 1 A 26 26 LEU N N 26 121.760 119.125 2.635 1
1 358 . 6 1 1 A 27 27 LYS H H 27 8.190 7.862 0.328 1
1 359 . 6 1 1 A 27 27 LYS HA H 27 3.799 4.434 -0.635 1
1 368 . 6 1 1 A 27 27 LYS C C 27 177.470 178.131 -0.661 1
1 369 . 6 1 1 A 27 27 LYS CA C 27 60.480 58.848 1.632 1
1 370 . 6 1 1 A 27 27 LYS CB C 27 33.472 32.279 1.193 1
1 374 . 6 1 1 A 27 27 LYS N N 27 117.650 121.028 -3.378 1
1 375 . 6 1 1 A 28 28 GLU H H 28 6.841 8.182 -1.341 1
1 376 . 6 1 1 A 28 28 GLU HA H 28 4.238 4.218 0.020 1
1 381 . 6 1 1 A 28 28 GLU C C 28 177.280 177.707 -0.427 1
1 382 . 6 1 1 A 28 28 GLU CA C 28 57.370 58.341 -0.971 1
1 383 . 6 1 1 A 28 28 GLU CB C 28 30.480 30.118 0.362 1
1 385 . 6 1 1 A 28 28 GLU N N 28 111.940 117.438 -5.498 1
1 386 . 6 1 1 A 29 29 LYS H H 29 7.577 7.820 -0.243 1
1 387 . 6 1 1 A 29 29 LYS HA H 29 4.414 4.550 -0.136 1
1 396 . 6 1 1 A 29 29 LYS C C 29 175.230 175.441 -0.211 1
1 397 . 6 1 1 A 29 29 LYS CA C 29 53.800 55.532 -1.732 1
1 398 . 6 1 1 A 29 29 LYS CB C 29 33.530 33.870 -0.340 1
1 402 . 6 1 1 A 29 29 LYS N N 29 115.460 117.282 -1.822 1
1 403 . 6 1 1 A 30 30 ILE H H 30 6.921 7.621 -0.700 1
1 404 . 6 1 1 A 30 30 ILE HA H 30 3.939 4.402 -0.463 1
1 414 . 6 1 1 A 30 30 ILE CA C 30 60.290 57.177 3.113 1
1 415 . 6 1 1 A 30 30 ILE CB C 30 39.967 39.119 0.848 1
1 419 . 6 1 1 A 30 30 ILE N N 30 122.100 120.220 1.880 1
1 420 . 6 1 1 A 31 31 PRO HA H 31 4.840 4.920 -0.080 1
1 427 . 6 1 1 A 31 31 PRO C C 31 175.340 176.554 -1.214 1
1 428 . 6 1 1 A 31 31 PRO CA C 31 62.720 62.297 0.423 1
1 429 . 6 1 1 A 31 31 PRO CB C 31 36.350 33.092 3.258 1
1 432 . 6 1 1 A 32 32 PHE H H 32 7.627 8.736 -1.109 1
1 433 . 6 1 1 A 32 32 PHE HA H 32 4.959 5.206 -0.247 1
1 441 . 6 1 1 A 32 32 PHE C C 32 171.870 172.279 -0.409 1
1 442 . 6 1 1 A 32 32 PHE CA C 32 56.300 55.820 0.480 1
1 443 . 6 1 1 A 32 32 PHE CB C 32 40.253 42.457 -2.204 1
1 447 . 6 1 1 A 32 32 PHE N N 32 112.880 117.555 -4.675 1
1 448 . 6 1 1 A 33 33 GLU H H 33 8.728 8.642 0.086 1
1 449 . 6 1 1 A 33 33 GLU HA H 33 5.309 5.328 -0.019 1
1 454 . 6 1 1 A 33 33 GLU C C 33 175.630 174.961 0.669 1
1 455 . 6 1 1 A 33 33 GLU CA C 33 54.450 54.626 -0.176 1
1 456 . 6 1 1 A 33 33 GLU CB C 33 33.814 33.147 0.667 1
1 458 . 6 1 1 A 33 33 GLU N N 33 118.710 119.346 -0.636 1
1 459 . 6 1 1 A 34 34 SER H H 34 8.964 8.172 0.792 1
1 460 . 6 1 1 A 34 34 SER HA H 34 4.803 4.887 -0.084 1
1 463 . 6 1 1 A 34 34 SER C C 34 174.560 173.317 1.243 1
1 464 . 6 1 1 A 34 34 SER CA C 34 55.830 56.761 -0.931 1
1 465 . 6 1 1 A 34 34 SER CB C 34 64.270 65.392 -1.122 1
1 466 . 6 1 1 A 34 34 SER N N 34 115.150 116.295 -1.145 1
1 467 . 6 1 1 A 35 35 VAL H H 35 8.322 8.737 -0.415 1
1 468 . 6 1 1 A 35 35 VAL HA H 35 4.724 4.135 0.589 1
1 476 . 6 1 1 A 35 35 VAL C C 35 174.950 175.790 -0.840 1
1 477 . 6 1 1 A 35 35 VAL CA C 35 61.350 62.959 -1.609 1
1 478 . 6 1 1 A 35 35 VAL CB C 35 35.676 31.723 3.953 1
1 481 . 6 1 1 A 35 35 VAL N N 35 121.700 123.821 -2.121 1
1 482 . 6 1 1 A 36 36 VAL H H 36 9.200 8.672 0.528 1
1 483 . 6 1 1 A 36 36 VAL HA H 36 3.999 4.185 -0.186 1
1 491 . 6 1 1 A 36 36 VAL C C 36 175.490 175.777 -0.287 1
1 492 . 6 1 1 A 36 36 VAL CA C 36 63.900 62.816 1.084 1
1 493 . 6 1 1 A 36 36 VAL CB C 36 33.593 31.216 2.377 1
1 496 . 6 1 1 A 36 36 VAL N N 36 123.870 128.264 -4.394 1
1 497 . 6 1 1 A 37 37 ASN H H 37 8.739 8.978 -0.239 1
1 498 . 6 1 1 A 37 37 ASN HA H 37 5.276 5.024 0.252 1
1 503 . 6 1 1 A 37 37 ASN C C 37 174.040 175.128 -1.088 1
1 504 . 6 1 1 A 37 37 ASN CA C 37 51.960 52.776 -0.816 1
1 505 . 6 1 1 A 37 37 ASN CB C 37 41.996 39.588 2.408 1
1 506 . 6 1 1 A 37 37 ASN N N 37 123.895 126.036 -2.141 1
1 508 . 6 1 1 A 38 38 THR H H 38 8.703 8.809 -0.106 1
1 509 . 6 1 1 A 38 38 THR HA H 38 5.323 5.439 -0.116 1
1 514 . 6 1 1 A 38 38 THR C C 38 174.910 173.532 1.378 1
1 515 . 6 1 1 A 38 38 THR CA C 38 59.740 59.715 0.025 1
1 516 . 6 1 1 A 38 38 THR CB C 38 71.332 71.864 -0.532 1
1 518 . 6 1 1 A 38 38 THR N N 38 111.440 110.652 0.788 1
1 519 . 6 1 1 A 39 39 TRP H H 39 8.489 9.073 -0.584 1
1 520 . 6 1 1 A 39 39 TRP HA H 39 4.838 5.011 -0.173 1
1 529 . 6 1 1 A 39 39 TRP C C 39 175.270 176.095 -0.825 1
1 530 . 6 1 1 A 39 39 TRP CA C 39 57.040 56.866 0.174 1
1 531 . 6 1 1 A 39 39 TRP CB C 39 29.089 32.160 -3.071 1
1 537 . 6 1 1 A 39 39 TRP N N 39 125.321 123.947 1.374 1
1 539 . 6 1 1 A 40 40 GLY H H 40 8.596 9.217 -0.621 1
1 540 . 6 1 1 A 40 40 GLY HA2 H 40 3.528 3.431 0.097 1
1 541 . 6 1 1 A 40 40 GLY HA3 H 40 3.465 3.726 -0.261 1
1 542 . 6 1 1 A 40 40 GLY CA C 40 47.619 45.759 1.860 1
1 543 . 6 1 1 A 40 40 GLY N N 40 113.220 115.594 -2.374 1
1 544 . 6 1 1 A 41 41 GLU H H 41 7.870 8.511 -0.641 1
1 545 . 6 1 1 A 41 41 GLU HA H 41 3.717 3.647 0.070 1
1 550 . 6 1 1 A 41 41 GLU C C 41 171.810 174.937 -3.127 1
1 551 . 6 1 1 A 41 41 GLU CA C 41 55.390 57.524 -2.134 1
1 552 . 6 1 1 A 41 41 GLU CB C 41 26.025 28.438 -2.413 1
1 554 . 6 1 1 A 41 41 GLU N N 41 128.227 118.262 9.965 1
1 555 . 6 1 1 A 42 42 GLU H H 42 7.158 7.421 -0.263 1
1 556 . 6 1 1 A 42 42 GLU HA H 42 4.811 5.034 -0.223 1
1 561 . 6 1 1 A 42 42 GLU C C 42 175.680 174.727 0.953 1
1 562 . 6 1 1 A 42 42 GLU CA C 42 53.860 55.011 -1.151 1
1 563 . 6 1 1 A 42 42 GLU CB C 42 31.149 33.690 -2.541 1
1 565 . 6 1 1 A 42 42 GLU N N 42 116.880 118.471 -1.591 1
1 566 . 6 1 1 A 43 43 ILE H H 43 8.226 8.505 -0.279 1
1 567 . 6 1 1 A 43 43 ILE HA H 43 4.934 5.415 -0.481 1
1 577 . 6 1 1 A 43 43 ILE C C 43 174.420 174.514 -0.094 1
1 578 . 6 1 1 A 43 43 ILE CA C 43 59.250 60.184 -0.934 1
1 579 . 6 1 1 A 43 43 ILE CB C 43 43.278 41.757 1.521 1
1 583 . 6 1 1 A 43 43 ILE N N 43 125.120 124.305 0.815 1
1 584 . 6 1 1 A 44 44 TYR H H 44 9.318 9.007 0.311 1
1 585 . 6 1 1 A 44 44 TYR HA H 44 6.008 5.413 0.595 1
1 592 . 6 1 1 A 44 44 TYR C C 44 174.150 173.046 1.104 1
1 593 . 6 1 1 A 44 44 TYR CA C 44 55.740 55.465 0.275 1
1 594 . 6 1 1 A 44 44 TYR CB C 44 42.606 41.789 0.817 1
1 597 . 6 1 1 A 44 44 TYR N N 44 124.370 122.755 1.615 1
1 598 . 6 1 1 A 45 45 PHE H H 45 8.211 8.896 -0.685 1
1 599 . 6 1 1 A 45 45 PHE HA H 45 5.088 5.422 -0.334 1
1 607 . 6 1 1 A 45 45 PHE C C 45 173.730 172.950 0.780 1
1 608 . 6 1 1 A 45 45 PHE CA C 45 55.140 55.558 -0.418 1
1 609 . 6 1 1 A 45 45 PHE CB C 45 40.793 42.118 -1.325 1
1 613 . 6 1 1 A 45 45 PHE N N 45 114.110 117.018 -2.908 1
1 614 . 6 1 1 A 46 46 SER H H 46 9.523 8.940 0.583 1
1 615 . 6 1 1 A 46 46 SER HA H 46 4.316 4.869 -0.553 1
1 618 . 6 1 1 A 46 46 SER C C 46 174.360 174.600 -0.240 1
1 619 . 6 1 1 A 46 46 SER CA C 46 59.960 58.251 1.709 1
1 620 . 6 1 1 A 46 46 SER CB C 46 63.980 61.990 1.990 1
1 621 . 6 1 1 A 46 46 SER N N 46 117.150 117.051 0.099 1
1 622 . 6 1 1 A 47 47 THR H H 47 8.225 8.192 0.033 1
1 623 . 6 1 1 A 47 47 THR HA H 47 4.971 4.707 0.264 1
1 628 . 6 1 1 A 47 47 THR CA C 47 59.160 60.495 -1.335 1
1 629 . 6 1 1 A 47 47 THR CB C 47 70.385 68.880 1.505 1
1 631 . 6 1 1 A 47 47 THR N N 47 113.910 118.614 -4.704 1
1 632 . 6 1 1 A 48 48 PRO HA H 48 4.585 4.438 0.147 1
1 639 . 6 1 1 A 48 48 PRO C C 48 175.940 176.206 -0.266 1
1 640 . 6 1 1 A 48 48 PRO CA C 48 62.410 63.979 -1.569 1
1 641 . 6 1 1 A 48 48 PRO CB C 48 31.770 31.788 -0.018 1
1 644 . 6 1 1 A 49 49 VAL H H 49 7.458 7.436 0.022 1
1 645 . 6 1 1 A 49 49 VAL HA H 49 4.178 4.009 0.169 1
1 653 . 6 1 1 A 49 49 VAL C C 49 174.070 175.327 -1.257 1
1 654 . 6 1 1 A 49 49 VAL CA C 49 60.840 62.584 -1.744 1
1 655 . 6 1 1 A 49 49 VAL CB C 49 34.134 32.045 2.089 1
1 658 . 6 1 1 A 49 49 VAL N N 49 114.800 118.614 -3.814 1
1 659 . 6 1 1 A 50 50 ASN H H 50 8.897 8.765 0.132 1
1 660 . 6 1 1 A 50 50 ASN HA H 50 4.684 5.492 -0.808 1
1 665 . 6 1 1 A 50 50 ASN C C 50 173.550 174.104 -0.554 1
1 666 . 6 1 1 A 50 50 ASN CA C 50 51.610 52.197 -0.587 1
1 667 . 6 1 1 A 50 50 ASN CB C 50 39.730 39.513 0.217 1
1 668 . 6 1 1 A 50 50 ASN N N 50 126.400 125.781 0.619 1
1 670 . 6 1 1 A 51 51 VAL H H 51 7.587 8.285 -0.698 1
1 671 . 6 1 1 A 51 51 VAL HA H 51 4.148 4.784 -0.636 1
1 679 . 6 1 1 A 51 51 VAL C C 51 174.350 174.020 0.330 1
1 680 . 6 1 1 A 51 51 VAL CA C 51 61.280 59.747 1.533 1
1 681 . 6 1 1 A 51 51 VAL CB C 51 35.206 35.601 -0.395 1
1 684 . 6 1 1 A 51 51 VAL N N 51 122.670 122.418 0.252 1
1 685 . 6 1 1 A 52 52 GLN H H 52 8.337 8.471 -0.134 1
1 686 . 6 1 1 A 52 52 GLN HA H 52 4.094 4.722 -0.628 1
1 693 . 6 1 1 A 52 52 GLN C C 52 176.240 175.984 0.256 1
1 694 . 6 1 1 A 52 52 GLN CA C 52 56.560 55.083 1.477 1
1 695 . 6 1 1 A 52 52 GLN CB C 52 29.745 29.682 0.063 1
1 697 . 6 1 1 A 52 52 GLN N N 52 122.670 123.960 -1.290 1
1 699 . 6 1 1 A 53 53 LYS H H 53 7.363 7.498 -0.135 1
1 700 . 6 1 1 A 53 53 LYS HA H 53 3.994 4.136 -0.142 1
1 709 . 6 1 1 A 53 53 LYS C C 53 176.010 175.647 0.363 1
1 710 . 6 1 1 A 53 53 LYS CA C 53 56.960 57.340 -0.380 1
1 711 . 6 1 1 A 53 53 LYS CB C 53 33.000 32.969 0.031 1
1 715 . 6 1 1 A 53 53 LYS N N 53 119.940 122.235 -2.295 1
1 716 . 6 1 1 A 54 54 MET H H 54 8.797 8.739 0.058 1
1 717 . 6 1 1 A 54 54 MET HA H 54 4.449 4.887 -0.438 1
1 725 . 6 1 1 A 54 54 MET C C 54 174.630 176.331 -1.701 1
1 726 . 6 1 1 A 54 54 MET CA C 54 54.530 53.605 0.925 1
1 727 . 6 1 1 A 54 54 MET CB C 54 36.912 32.140 4.772 1
1 730 . 6 1 1 A 54 54 MET N N 54 124.720 127.188 -2.468 1
1 731 . 6 1 1 A 55 55 GLU H H 55 9.773 8.629 1.144 1
1 732 . 6 1 1 A 55 55 GLU HA H 55 4.029 4.256 -0.227 1
1 737 . 6 1 1 A 55 55 GLU C C 55 176.930 177.240 -0.310 1
1 738 . 6 1 1 A 55 55 GLU CA C 55 59.910 58.659 1.251 1
1 739 . 6 1 1 A 55 55 GLU CB C 55 29.611 30.290 -0.679 1
1 741 . 6 1 1 A 55 55 GLU N N 55 124.250 124.472 -0.222 1
1 742 . 6 1 1 A 56 56 ASN H H 56 8.371 8.283 0.088 1
1 743 . 6 1 1 A 56 56 ASN HA H 56 5.163 5.111 0.052 1
1 748 . 6 1 1 A 56 56 ASN CA C 56 50.680 51.053 -0.373 1
1 749 . 6 1 1 A 56 56 ASN CB C 56 39.563 38.506 1.057 1
1 750 . 6 1 1 A 56 56 ASN N N 56 115.600 115.364 0.236 1
1 752 . 6 1 1 A 57 57 PRO HA H 57 4.854 4.655 0.199 1
1 759 . 6 1 1 A 57 57 PRO C C 57 178.760 175.641 3.119 1
1 760 . 6 1 1 A 57 57 PRO CA C 57 62.630 62.907 -0.277 1
1 761 . 6 1 1 A 57 57 PRO CB C 57 32.197 32.910 -0.713 1
1 764 . 6 1 1 A 58 58 ARG H H 58 9.448 8.580 0.868 1
1 765 . 6 1 1 A 58 58 ARG HA H 58 4.636 4.752 -0.116 1
1 773 . 6 1 1 A 58 58 ARG C C 58 175.430 175.590 -0.160 1
1 774 . 6 1 1 A 58 58 ARG CA C 58 54.210 54.071 0.139 1
1 775 . 6 1 1 A 58 58 ARG CB C 58 34.208 34.341 -0.133 1
1 778 . 6 1 1 A 58 58 ARG N N 58 122.690 120.944 1.746 1
1 780 . 6 1 1 A 59 59 GLU H H 59 8.694 8.646 0.048 1
1 781 . 6 1 1 A 59 59 GLU HA H 59 4.096 4.649 -0.553 1
1 786 . 6 1 1 A 59 59 GLU C C 59 175.210 175.846 -0.636 1
1 787 . 6 1 1 A 59 59 GLU CA C 59 56.470 56.238 0.232 1
1 788 . 6 1 1 A 59 59 GLU CB C 59 31.074 31.267 -0.193 1
1 790 . 6 1 1 A 59 59 GLU N N 59 119.520 118.616 0.904 1
1 791 . 6 1 1 A 60 60 VAL H H 60 7.296 7.524 -0.228 1
1 792 . 6 1 1 A 60 60 VAL HA H 60 4.471 4.386 0.085 1
1 800 . 6 1 1 A 60 60 VAL C C 60 174.900 173.476 1.424 1
1 801 . 6 1 1 A 60 60 VAL CA C 60 61.058 60.284 0.774 1
1 802 . 6 1 1 A 60 60 VAL CB C 60 35.056 34.941 0.115 1
1 805 . 6 1 1 A 60 60 VAL N N 60 117.380 117.435 -0.055 1
1 806 . 6 1 1 A 61 61 VAL H H 61 8.064 8.431 -0.367 1
1 807 . 6 1 1 A 61 61 VAL HA H 61 4.540 4.903 -0.363 1
1 815 . 6 1 1 A 61 61 VAL C C 61 172.880 174.872 -1.992 1
1 816 . 6 1 1 A 61 61 VAL CA C 61 58.820 58.978 -0.158 1
1 817 . 6 1 1 A 61 61 VAL CB C 61 33.464 36.239 -2.775 1
1 820 . 6 1 1 A 61 61 VAL N N 61 117.630 119.376 -1.746 1
1 821 . 6 1 1 A 62 62 GLU H H 62 8.620 8.978 -0.358 1
1 822 . 6 1 1 A 62 62 GLU HA H 62 4.543 4.566 -0.023 1
1 827 . 6 1 1 A 62 62 GLU C C 62 176.350 177.817 -1.467 1
1 828 . 6 1 1 A 62 62 GLU CA C 62 53.640 55.114 -1.474 1
1 829 . 6 1 1 A 62 62 GLU CB C 62 32.360 31.235 1.125 1
1 831 . 6 1 1 A 62 62 GLU N N 62 118.060 120.218 -2.158 1
1 832 . 6 1 1 A 63 63 ILE H H 63 8.520 8.540 -0.020 1
1 833 . 6 1 1 A 63 63 ILE HA H 63 3.275 4.202 -0.927 1
1 843 . 6 1 1 A 63 63 ILE C C 63 177.940 176.211 1.729 1
1 844 . 6 1 1 A 63 63 ILE CA C 63 64.410 62.080 2.330 1
1 845 . 6 1 1 A 63 63 ILE CB C 63 37.674 37.713 -0.039 1
1 849 . 6 1 1 A 63 63 ILE N N 63 120.310 120.926 -0.616 1
1 850 . 6 1 1 A 64 64 GLY H H 64 9.091 7.746 1.345 1
1 851 . 6 1 1 A 64 64 GLY HA2 H 64 3.563 4.209 -0.646 1
1 852 . 6 1 1 A 64 64 GLY HA3 H 64 4.774 4.239 0.535 1
1 853 . 6 1 1 A 64 64 GLY C C 64 173.290 173.221 0.069 1
1 854 . 6 1 1 A 64 64 GLY CA C 64 45.359 45.768 -0.409 1
1 855 . 6 1 1 A 64 64 GLY N N 64 116.340 108.974 7.366 1
1 856 . 6 1 1 A 65 65 ASP H H 65 8.335 7.809 0.526 1
1 857 . 6 1 1 A 65 65 ASP HA H 65 4.914 5.199 -0.285 1
1 860 . 6 1 1 A 65 65 ASP C C 65 175.180 174.793 0.387 1
1 861 . 6 1 1 A 65 65 ASP CA C 65 56.630 53.072 3.558 1
1 862 . 6 1 1 A 65 65 ASP CB C 65 41.980 43.124 -1.144 1
1 863 . 6 1 1 A 65 65 ASP N N 65 121.610 119.986 1.624 1
1 864 . 6 1 1 A 66 66 VAL H H 66 7.580 8.704 -1.124 1
1 865 . 6 1 1 A 66 66 VAL HA H 66 5.085 4.472 0.613 1
1 873 . 6 1 1 A 66 66 VAL C C 66 176.170 173.922 2.248 1
1 874 . 6 1 1 A 66 66 VAL CA C 66 60.240 60.367 -0.127 1
1 875 . 6 1 1 A 66 66 VAL CB C 66 33.783 35.076 -1.293 1
1 878 . 6 1 1 A 66 66 VAL N N 66 117.330 119.600 -2.270 1
1 879 . 6 1 1 A 67 67 GLY H H 67 9.592 8.512 1.080 1
1 880 . 6 1 1 A 67 67 GLY HA2 H 67 5.899 4.537 1.362 1
1 881 . 6 1 1 A 67 67 GLY HA3 H 67 3.200 4.638 -1.438 1
1 882 . 6 1 1 A 67 67 GLY C C 67 171.740 171.607 0.133 1
1 883 . 6 1 1 A 67 67 GLY CA C 67 43.580 44.817 -1.237 1
1 884 . 6 1 1 A 67 67 GLY N N 67 111.440 110.897 0.543 1
1 885 . 6 1 1 A 68 68 TYR H H 68 9.146 8.598 0.548 1
1 886 . 6 1 1 A 68 68 TYR HA H 68 5.809 5.122 0.687 1
1 889 . 6 1 1 A 68 68 TYR C C 68 173.860 174.038 -0.178 1
1 890 . 6 1 1 A 68 68 TYR CA C 68 55.900 56.286 -0.386 1
1 891 . 6 1 1 A 68 68 TYR CB C 68 42.170 40.642 1.528 1
1 892 . 6 1 1 A 68 68 TYR N N 68 119.980 123.239 -3.259 1
1 893 . 6 1 1 A 69 69 TRP H H 69 9.213 8.988 0.225 1
1 894 . 6 1 1 A 69 69 TRP HA H 69 5.268 4.967 0.301 1
1 902 . 6 1 1 A 69 69 TRP CA C 69 53.390 55.150 -1.760 1
1 903 . 6 1 1 A 69 69 TRP CB C 69 30.442 30.016 0.426 1
1 908 . 6 1 1 A 69 69 TRP N N 69 132.150 129.972 2.178 1
1 910 . 6 1 1 A 70 70 PRO HA H 70 3.923 3.721 0.202 1
1 917 . 6 1 1 A 70 70 PRO CA C 70 66.753 64.569 2.184 1
1 918 . 6 1 1 A 70 70 PRO CB C 70 30.054 31.808 -1.754 1
1 921 . 6 1 1 A 71 71 PRO HA H 71 3.716 4.006 -0.290 1
1 928 . 6 1 1 A 71 71 PRO CA C 71 65.803 64.863 0.940 1
1 929 . 6 1 1 A 71 71 PRO CB C 71 30.620 30.265 0.355 1
1 932 . 6 1 1 A 72 72 GLY HA2 H 72 3.168 3.730 -0.562 1
1 933 . 6 1 1 A 72 72 GLY HA3 H 72 4.271 3.739 0.532 1
1 934 . 6 1 1 A 72 72 GLY C C 72 173.220 173.353 -0.133 1
1 935 . 6 1 1 A 72 72 GLY CA C 72 44.350 45.177 -0.827 1
1 936 . 6 1 1 A 73 73 LYS H H 73 7.989 7.280 0.709 1
1 937 . 6 1 1 A 73 73 LYS HA H 73 3.566 3.907 -0.341 1
1 946 . 6 1 1 A 73 73 LYS C C 73 177.420 174.974 2.446 1
1 947 . 6 1 1 A 73 73 LYS CA C 73 57.790 57.113 0.677 1
1 948 . 6 1 1 A 73 73 LYS CB C 73 29.398 29.996 -0.598 1
1 952 . 6 1 1 A 73 73 LYS N N 73 121.515 116.368 5.147 1
1 953 . 6 1 1 A 74 74 ALA H H 74 6.969 7.522 -0.553 1
1 954 . 6 1 1 A 74 74 ALA HA H 74 5.123 5.229 -0.106 1
1 958 . 6 1 1 A 74 74 ALA C C 74 177.490 176.194 1.296 1
1 959 . 6 1 1 A 74 74 ALA CA C 74 51.900 50.414 1.486 1
1 960 . 6 1 1 A 74 74 ALA CB C 74 23.090 23.537 -0.447 1
1 961 . 6 1 1 A 74 74 ALA N N 74 118.780 119.258 -0.478 1
1 962 . 6 1 1 A 75 75 LEU H H 75 8.032 7.821 0.211 1
1 963 . 6 1 1 A 75 75 LEU HA H 75 4.844 4.848 -0.004 1
1 973 . 6 1 1 A 75 75 LEU C C 75 175.540 175.358 0.182 1
1 974 . 6 1 1 A 75 75 LEU CA C 75 54.000 53.824 0.176 1
1 975 . 6 1 1 A 75 75 LEU CB C 75 43.858 42.600 1.258 1
1 979 . 6 1 1 A 75 75 LEU N N 75 122.780 120.153 2.627 1
1 980 . 6 1 1 A 76 76 CYS H H 76 8.813 8.337 0.476 1
1 981 . 6 1 1 A 76 76 CYS HA H 76 5.178 5.153 0.025 1
1 984 . 6 1 1 A 76 76 CYS C C 76 173.080 172.744 0.336 1
1 985 . 6 1 1 A 76 76 CYS CA C 76 55.850 58.165 -2.315 1
1 986 . 6 1 1 A 76 76 CYS CB C 76 31.922 30.918 1.004 1
1 987 . 6 1 1 A 76 76 CYS N N 76 117.950 118.116 -0.166 1
1 988 . 6 1 1 A 77 77 LEU H H 77 9.621 9.109 0.512 1
1 989 . 6 1 1 A 77 77 LEU HA H 77 4.741 4.796 -0.055 1
1 999 . 6 1 1 A 77 77 LEU C C 77 175.040 175.059 -0.019 1
1 1000 . 6 1 1 A 77 77 LEU CA C 77 53.510 52.945 0.565 1
1 1001 . 6 1 1 A 77 77 LEU CB C 77 44.058 43.194 0.864 1
1 1005 . 6 1 1 A 77 77 LEU N N 77 123.140 125.744 -2.604 1
1 1006 . 6 1 1 A 78 78 PHE H H 78 7.930 8.965 -1.035 1
1 1007 . 6 1 1 A 78 78 PHE HA H 78 4.809 5.044 -0.235 1
1 1015 . 6 1 1 A 78 78 PHE C C 78 174.830 175.753 -0.923 1
1 1016 . 6 1 1 A 78 78 PHE CA C 78 58.140 56.144 1.996 1
1 1017 . 6 1 1 A 78 78 PHE CB C 78 39.603 39.806 -0.203 1
1 1021 . 6 1 1 A 78 78 PHE N N 78 120.120 124.189 -4.069 1
1 1022 . 6 1 1 A 79 79 PHE H H 79 8.038 7.767 0.271 1
1 1023 . 6 1 1 A 79 79 PHE HA H 79 5.029 5.083 -0.054 1
1 1031 . 6 1 1 A 79 79 PHE C C 79 172.070 175.120 -3.050 1
1 1032 . 6 1 1 A 79 79 PHE CA C 79 55.630 56.575 -0.945 1
1 1033 . 6 1 1 A 79 79 PHE CB C 79 39.003 40.776 -1.773 1
1 1037 . 6 1 1 A 79 79 PHE N N 79 119.040 118.924 0.116 1
1 1038 . 6 1 1 A 80 80 GLY H H 80 7.489 7.466 0.023 1
1 1039 . 6 1 1 A 80 80 GLY HA2 H 80 3.653 4.080 -0.427 1
1 1040 . 6 1 1 A 80 80 GLY HA3 H 80 4.283 4.134 0.149 1
1 1041 . 6 1 1 A 80 80 GLY C C 80 170.830 171.367 -0.537 1
1 1042 . 6 1 1 A 80 80 GLY CA C 80 45.342 46.065 -0.723 1
1 1043 . 6 1 1 A 80 80 GLY N N 80 110.010 108.468 1.542 1
1 1044 . 6 1 1 A 81 81 LYS H H 81 8.186 8.512 -0.326 1
1 1045 . 6 1 1 A 81 81 LYS HA H 81 4.003 4.891 -0.888 1
1 1054 . 6 1 1 A 81 81 LYS C C 81 177.530 175.391 2.139 1
1 1055 . 6 1 1 A 81 81 LYS CA C 81 57.730 54.990 2.740 1
1 1056 . 6 1 1 A 81 81 LYS CB C 81 33.293 35.334 -2.041 1
1 1060 . 6 1 1 A 81 81 LYS N N 81 117.260 124.086 -6.826 1
1 1061 . 6 1 1 A 82 82 THR H H 82 8.076 8.712 -0.636 1
1 1062 . 6 1 1 A 82 82 THR HA H 82 4.423 4.737 -0.314 1
1 1067 . 6 1 1 A 82 82 THR CA C 82 59.230 60.310 -1.080 1
1 1068 . 6 1 1 A 82 82 THR CB C 82 68.310 68.604 -0.294 1
1 1070 . 6 1 1 A 82 82 THR N N 82 113.611 117.355 -3.744 1
1 1071 . 6 1 1 A 83 83 PRO HA H 83 4.090 4.299 -0.209 1
1 1078 . 6 1 1 A 83 83 PRO CA C 83 63.743 63.865 -0.122 1
1 1079 . 6 1 1 A 83 83 PRO CB C 83 32.167 31.309 0.858 1
1 1082 . 6 1 1 A 84 84 MET HA H 84 4.220 4.746 -0.526 1
1 1090 . 6 1 1 A 84 84 MET C C 84 175.920 174.622 1.298 1
1 1091 . 6 1 1 A 84 84 MET CA C 84 55.880 54.358 1.522 1
1 1092 . 6 1 1 A 84 84 MET CB C 84 33.070 32.802 0.268 1
1 1095 . 6 1 1 A 85 85 SER H H 85 7.256 8.292 -1.036 1
1 1096 . 6 1 1 A 85 85 SER HA H 85 4.401 4.737 -0.336 1
1 1099 . 6 1 1 A 85 85 SER C C 85 173.380 173.340 0.040 1
1 1100 . 6 1 1 A 85 85 SER CA C 85 58.230 57.263 0.967 1
1 1101 . 6 1 1 A 85 85 SER CB C 85 64.290 65.509 -1.219 1
1 1102 . 6 1 1 A 85 85 SER N N 85 111.370 115.415 -4.045 1
1 1103 . 6 1 1 A 86 86 ASP H H 86 8.517 8.931 -0.414 1
1 1104 . 6 1 1 A 86 86 ASP HA H 86 4.692 4.714 -0.022 1
1 1107 . 6 1 1 A 86 86 ASP C C 86 175.860 177.490 -1.630 1
1 1108 . 6 1 1 A 86 86 ASP CA C 86 54.150 55.669 -1.519 1
1 1109 . 6 1 1 A 86 86 ASP CB C 86 41.360 42.909 -1.549 1
1 1110 . 6 1 1 A 86 86 ASP N N 86 123.320 121.243 2.077 1
1 1111 . 6 1 1 A 87 87 ASP H H 87 8.412 8.111 0.301 1
1 1112 . 6 1 1 A 87 87 ASP HA H 87 4.529 4.544 -0.015 1
1 1115 . 6 1 1 A 87 87 ASP C C 87 175.270 176.483 -1.213 1
1 1116 . 6 1 1 A 87 87 ASP CA C 87 54.870 56.515 -1.645 1
1 1117 . 6 1 1 A 87 87 ASP CB C 87 41.580 42.295 -0.715 1
1 1118 . 6 1 1 A 87 87 ASP N N 87 118.900 117.762 1.138 1
1 1119 . 6 1 1 A 88 88 LYS H H 88 7.869 7.557 0.312 1
1 1120 . 6 1 1 A 88 88 LYS HA H 88 4.372 4.845 -0.473 1
1 1129 . 6 1 1 A 88 88 LYS C C 88 174.870 175.034 -0.164 1
1 1130 . 6 1 1 A 88 88 LYS CA C 88 54.580 54.700 -0.120 1
1 1131 . 6 1 1 A 88 88 LYS CB C 88 34.047 35.696 -1.649 1
1 1135 . 6 1 1 A 88 88 LYS N N 88 118.310 113.920 4.390 1
1 1136 . 6 1 1 A 89 89 ILE H H 89 8.604 8.879 -0.275 1
1 1137 . 6 1 1 A 89 89 ILE HA H 89 3.873 4.212 -0.339 1
1 1147 . 6 1 1 A 89 89 ILE C C 89 174.480 175.119 -0.639 1
1 1148 . 6 1 1 A 89 89 ILE CA C 89 61.890 61.014 0.876 1
1 1149 . 6 1 1 A 89 89 ILE CB C 89 36.398 36.414 -0.016 1
1 1153 . 6 1 1 A 89 89 ILE N N 89 121.510 122.894 -1.384 1
1 1154 . 6 1 1 A 90 90 GLN H H 90 8.015 8.320 -0.305 1
1 1155 . 6 1 1 A 90 90 GLN HA H 90 5.033 4.511 0.522 1
1 1162 . 6 1 1 A 90 90 GLN CA C 90 52.110 53.777 -1.667 1
1 1163 . 6 1 1 A 90 90 GLN CB C 90 32.045 28.053 3.992 1
1 1165 . 6 1 1 A 90 90 GLN N N 90 126.430 126.117 0.313 1
1 1167 . 6 1 1 A 91 91 PRO HA H 91 4.508 4.615 -0.107 1
1 1174 . 6 1 1 A 91 91 PRO C C 91 175.210 177.184 -1.974 1
1 1175 . 6 1 1 A 91 91 PRO CA C 91 61.680 62.073 -0.393 1
1 1176 . 6 1 1 A 91 91 PRO CB C 91 32.854 32.987 -0.133 1
1 1179 . 6 1 1 A 92 92 ALA H H 92 8.014 8.428 -0.414 1
1 1180 . 6 1 1 A 92 92 ALA HA H 92 3.931 4.139 -0.208 1
1 1184 . 6 1 1 A 92 92 ALA CA C 92 55.270 54.909 0.361 1
1 1185 . 6 1 1 A 92 92 ALA CB C 92 18.838 18.930 -0.092 1
1 1186 . 6 1 1 A 92 92 ALA N N 92 121.420 121.678 -0.258 1
1 1187 . 6 1 1 A 93 93 SER H H 93 7.391 7.785 -0.394 1
1 1188 . 6 1 1 A 93 93 SER HA H 93 4.223 4.724 -0.501 1
1 1191 . 6 1 1 A 93 93 SER C C 93 171.670 172.847 -1.177 1
1 1192 . 6 1 1 A 93 93 SER CA C 93 57.240 57.675 -0.435 1
1 1193 . 6 1 1 A 93 93 SER CB C 93 63.620 66.495 -2.875 1
1 1194 . 6 1 1 A 93 93 SER N N 93 105.210 111.186 -5.976 1
1 1195 . 6 1 1 A 94 94 ALA H H 94 8.276 8.352 -0.076 1
1 1196 . 6 1 1 A 94 94 ALA HA H 94 4.113 4.487 -0.374 1
1 1200 . 6 1 1 A 94 94 ALA C C 94 177.150 177.117 0.033 1
1 1201 . 6 1 1 A 94 94 ALA CA C 94 53.810 52.633 1.177 1
1 1202 . 6 1 1 A 94 94 ALA CB C 94 19.219 19.103 0.116 1
1 1203 . 6 1 1 A 94 94 ALA N N 94 117.972 125.148 -7.176 1
1 1204 . 6 1 1 A 95 95 VAL H H 95 7.886 8.790 -0.904 1
1 1205 . 6 1 1 A 95 95 VAL HA H 95 5.037 5.007 0.030 1
1 1213 . 6 1 1 A 95 95 VAL C C 95 174.060 174.468 -0.408 1
1 1214 . 6 1 1 A 95 95 VAL CA C 95 57.510 59.395 -1.885 1
1 1215 . 6 1 1 A 95 95 VAL CB C 95 35.106 34.646 0.460 1
1 1218 . 6 1 1 A 95 95 VAL N N 95 108.410 118.994 -10.584 1
1 1219 . 6 1 1 A 96 96 ASN H H 96 9.178 8.361 0.817 1
1 1220 . 6 1 1 A 96 96 ASN HA H 96 4.897 4.910 -0.013 1
1 1225 . 6 1 1 A 96 96 ASN C C 96 176.600 174.288 2.312 1
1 1226 . 6 1 1 A 96 96 ASN CA C 96 50.790 53.159 -2.369 1
1 1227 . 6 1 1 A 96 96 ASN CB C 96 39.637 39.090 0.547 1
1 1228 . 6 1 1 A 96 96 ASN N N 96 121.250 122.642 -1.392 1
1 1230 . 6 1 1 A 97 97 VAL H H 97 8.503 8.424 0.079 1
1 1231 . 6 1 1 A 97 97 VAL HA H 97 4.421 4.236 0.185 1
1 1239 . 6 1 1 A 97 97 VAL C C 97 176.450 176.552 -0.102 1
1 1240 . 6 1 1 A 97 97 VAL CA C 97 66.030 62.123 3.907 1
1 1241 . 6 1 1 A 97 97 VAL CB C 97 30.552 29.462 1.090 1
1 1244 . 6 1 1 A 97 97 VAL N N 97 129.670 125.672 3.998 1
1 1245 . 6 1 1 A 98 98 ILE H H 98 8.129 7.927 0.202 1
1 1246 . 6 1 1 A 98 98 ILE HA H 98 4.628 4.029 0.599 1
1 1256 . 6 1 1 A 98 98 ILE C C 98 174.270 177.264 -2.994 1
1 1257 . 6 1 1 A 98 98 ILE CA C 98 61.240 63.820 -2.580 1
1 1258 . 6 1 1 A 98 98 ILE CB C 98 39.812 38.285 1.527 1
1 1262 . 6 1 1 A 98 98 ILE N N 98 119.500 122.260 -2.760 1
1 1263 . 6 1 1 A 99 99 GLY H H 99 7.668 7.792 -0.124 1
1 1264 . 6 1 1 A 99 99 GLY HA2 H 99 4.435 4.155 0.280 1
1 1265 . 6 1 1 A 99 99 GLY HA3 H 99 4.637 4.164 0.473 1
1 1266 . 6 1 1 A 99 99 GLY C C 99 172.410 172.835 -0.425 1
1 1267 . 6 1 1 A 99 99 GLY CA C 99 46.906 44.876 2.030 1
1 1268 . 6 1 1 A 99 99 GLY N N 99 107.230 111.331 -4.101 1
1 1269 . 6 1 1 A 100 100 LYS H H 100 8.347 8.372 -0.025 1
1 1270 . 6 1 1 A 100 100 LYS HA H 100 5.540 4.867 0.673 1
1 1279 . 6 1 1 A 100 100 LYS C C 100 175.740 175.923 -0.183 1
1 1280 . 6 1 1 A 100 100 LYS CA C 100 54.150 54.568 -0.418 1
1 1281 . 6 1 1 A 100 100 LYS CB C 100 37.900 34.938 2.962 1
1 1285 . 6 1 1 A 100 100 LYS N N 100 119.730 120.373 -0.643 1
1 1286 . 6 1 1 A 101 101 ILE H H 101 9.542 8.812 0.730 1
1 1287 . 6 1 1 A 101 101 ILE HA H 101 4.184 4.237 -0.053 1
1 1297 . 6 1 1 A 101 101 ILE C C 101 176.010 176.997 -0.987 1
1 1298 . 6 1 1 A 101 101 ILE CA C 101 62.940 61.553 1.387 1
1 1299 . 6 1 1 A 101 101 ILE CB C 101 39.212 36.567 2.645 1
1 1303 . 6 1 1 A 101 101 ILE N N 101 124.050 123.829 0.221 1
1 1304 . 6 1 1 A 102 102 VAL H H 102 8.728 7.998 0.730 1
1 1305 . 6 1 1 A 102 102 VAL HA H 102 4.591 3.949 0.642 1
1 1313 . 6 1 1 A 102 102 VAL C C 102 175.730 175.910 -0.180 1
1 1314 . 6 1 1 A 102 102 VAL CA C 102 62.030 64.829 -2.799 1
1 1315 . 6 1 1 A 102 102 VAL CB C 102 33.307 31.805 1.502 1
1 1318 . 6 1 1 A 102 102 VAL N N 102 121.420 125.695 -4.275 1
1 1319 . 6 1 1 A 103 103 GLU H H 103 7.912 7.616 0.296 1
1 1320 . 6 1 1 A 103 103 GLU HA H 103 4.661 4.654 0.007 1
1 1325 . 6 1 1 A 103 103 GLU C C 103 176.520 175.787 0.733 1
1 1326 . 6 1 1 A 103 103 GLU CA C 103 56.550 55.604 0.946 1
1 1327 . 6 1 1 A 103 103 GLU CB C 103 34.180 33.265 0.915 1
1 1329 . 6 1 1 A 103 103 GLU N N 103 120.750 120.307 0.443 1
1 1330 . 6 1 1 A 104 104 GLY H H 104 8.934 8.747 0.187 1
1 1331 . 6 1 1 A 104 104 GLY HA2 H 104 3.932 3.983 -0.051 1
1 1332 . 6 1 1 A 104 104 GLY HA3 H 104 4.345 4.010 0.335 1
1 1333 . 6 1 1 A 104 104 GLY C C 104 175.230 174.464 0.766 1
1 1334 . 6 1 1 A 104 104 GLY CA C 104 46.616 46.854 -0.238 1
1 1335 . 6 1 1 A 104 104 GLY N N 104 111.140 112.009 -0.869 1
1 1336 . 6 1 1 A 105 105 LEU H H 105 8.158 7.908 0.250 1
1 1337 . 6 1 1 A 105 105 LEU HA H 105 3.702 4.609 -0.907 1
1 1347 . 6 1 1 A 105 105 LEU C C 105 179.250 178.580 0.670 1
1 1348 . 6 1 1 A 105 105 LEU CA C 105 59.400 56.870 2.530 1
1 1349 . 6 1 1 A 105 105 LEU CB C 105 42.743 43.417 -0.674 1
1 1353 . 6 1 1 A 105 105 LEU N N 105 121.390 121.099 0.291 1
1 1354 . 6 1 1 A 106 106 GLU H H 106 8.944 8.329 0.615 1
1 1355 . 6 1 1 A 106 106 GLU HA H 106 3.978 4.127 -0.149 1
1 1360 . 6 1 1 A 106 106 GLU C C 106 178.120 179.306 -1.186 1
1 1361 . 6 1 1 A 106 106 GLU CA C 106 58.720 59.344 -0.624 1
1 1362 . 6 1 1 A 106 106 GLU CB C 106 28.920 28.472 0.448 1
1 1364 . 6 1 1 A 106 106 GLU N N 106 113.860 118.190 -4.330 1
1 1365 . 6 1 1 A 107 107 ASP H H 107 7.538 7.854 -0.316 1
1 1366 . 6 1 1 A 107 107 ASP HA H 107 4.344 4.258 0.086 1
1 1369 . 6 1 1 A 107 107 ASP C C 107 178.190 178.067 0.123 1
1 1370 . 6 1 1 A 107 107 ASP CA C 107 55.780 56.520 -0.740 1
1 1371 . 6 1 1 A 107 107 ASP CB C 107 41.191 40.763 0.428 1
1 1372 . 6 1 1 A 107 107 ASP N N 107 119.620 119.840 -0.220 1
1 1373 . 6 1 1 A 108 108 LEU H H 108 7.115 7.566 -0.451 1
1 1374 . 6 1 1 A 108 108 LEU HA H 108 3.357 3.542 -0.185 1
1 1384 . 6 1 1 A 108 108 LEU C C 108 177.920 177.590 0.330 1
1 1385 . 6 1 1 A 108 108 LEU CA C 108 57.000 56.245 0.755 1
1 1386 . 6 1 1 A 108 108 LEU CB C 108 38.445 40.279 -1.834 1
1 1390 . 6 1 1 A 108 108 LEU N N 108 117.551 118.728 -1.177 1
1 1391 . 6 1 1 A 109 109 LYS H H 109 7.179 7.558 -0.379 1
1 1392 . 6 1 1 A 109 109 LYS HA H 109 3.879 4.306 -0.427 1
1 1401 . 6 1 1 A 109 109 LYS C C 109 176.650 177.146 -0.496 1
1 1402 . 6 1 1 A 109 109 LYS CA C 109 57.792 57.483 0.309 1
1 1403 . 6 1 1 A 109 109 LYS CB C 109 32.184 32.263 -0.079 1
1 1407 . 6 1 1 A 109 109 LYS N N 109 115.080 117.033 -1.953 1
1 1408 . 6 1 1 A 110 110 LYS H H 110 7.364 7.870 -0.506 1
1 1409 . 6 1 1 A 110 110 LYS HA H 110 4.016 4.477 -0.461 1
1 1418 . 6 1 1 A 110 110 LYS C C 110 175.890 175.620 0.270 1
1 1419 . 6 1 1 A 110 110 LYS CA C 110 56.550 55.500 1.050 1
1 1420 . 6 1 1 A 110 110 LYS CB C 110 32.972 33.209 -0.237 1
1 1424 . 6 1 1 A 110 110 LYS N N 110 116.720 113.236 3.484 1
1 1425 . 6 1 1 A 111 111 ILE H H 111 6.626 7.107 -0.481 1
1 1426 . 6 1 1 A 111 111 ILE HA H 111 3.531 4.277 -0.746 1
1 1436 . 6 1 1 A 111 111 ILE C C 111 176.180 175.721 0.459 1
1 1437 . 6 1 1 A 111 111 ILE CA C 111 59.950 60.039 -0.089 1
1 1438 . 6 1 1 A 111 111 ILE CB C 111 34.946 39.760 -4.814 1
1 1442 . 6 1 1 A 111 111 ILE N N 111 117.000 121.061 -4.061 1
1 1443 . 6 1 1 A 112 112 LYS H H 112 8.388 8.709 -0.321 1
1 1444 . 6 1 1 A 112 112 LYS HA H 112 4.356 4.548 -0.192 1
1 1453 . 6 1 1 A 112 112 LYS C C 112 175.750 176.577 -0.827 1
1 1454 . 6 1 1 A 112 112 LYS CA C 112 54.430 55.382 -0.952 1
1 1455 . 6 1 1 A 112 112 LYS CB C 112 33.936 33.618 0.318 1
1 1459 . 6 1 1 A 112 112 LYS N N 112 128.240 124.585 3.655 1
1 1460 . 6 1 1 A 113 113 ASP H H 113 8.103 8.695 -0.592 1
1 1461 . 6 1 1 A 113 113 ASP HA H 113 4.026 4.921 -0.895 1
1 1464 . 6 1 1 A 113 113 ASP C C 113 177.630 176.058 1.572 1
1 1465 . 6 1 1 A 113 113 ASP CA C 113 56.660 52.992 3.668 1
1 1466 . 6 1 1 A 113 113 ASP CB C 113 42.033 39.878 2.155 1
1 1467 . 6 1 1 A 113 113 ASP N N 113 119.040 121.923 -2.883 1
1 1468 . 6 1 1 A 114 114 GLY H H 114 8.635 7.370 1.265 1
1 1469 . 6 1 1 A 114 114 GLY HA2 H 114 3.547 4.111 -0.564 1
1 1470 . 6 1 1 A 114 114 GLY HA3 H 114 4.229 4.114 0.115 1
1 1471 . 6 1 1 A 114 114 GLY C C 114 174.640 174.365 0.275 1
1 1472 . 6 1 1 A 114 114 GLY CA C 114 45.403 45.519 -0.116 1
1 1473 . 6 1 1 A 114 114 GLY N N 114 113.170 106.796 6.374 1
1 1474 . 6 1 1 A 115 115 GLU H H 115 7.346 8.534 -1.188 1
1 1475 . 6 1 1 A 115 115 GLU HA H 115 4.113 4.611 -0.498 1
1 1480 . 6 1 1 A 115 115 GLU C C 115 175.840 175.324 0.516 1
1 1481 . 6 1 1 A 115 115 GLU CA C 115 58.180 55.595 2.585 1
1 1482 . 6 1 1 A 115 115 GLU CB C 115 30.902 30.243 0.659 1
1 1484 . 6 1 1 A 115 115 GLU N N 115 119.440 118.635 0.805 1
1 1485 . 6 1 1 A 116 116 LYS H H 116 9.107 7.944 1.163 1
1 1486 . 6 1 1 A 116 116 LYS HA H 116 4.529 4.200 0.329 1
1 1495 . 6 1 1 A 116 116 LYS C C 116 176.050 175.195 0.855 1
1 1496 . 6 1 1 A 116 116 LYS CA C 116 56.820 56.904 -0.084 1
1 1497 . 6 1 1 A 116 116 LYS CB C 116 33.358 31.117 2.241 1
1 1501 . 6 1 1 A 116 116 LYS N N 116 121.800 115.951 5.849 1
1 1502 . 6 1 1 A 117 117 VAL H H 117 7.860 7.968 -0.108 1
1 1503 . 6 1 1 A 117 117 VAL HA H 117 4.668 4.096 0.572 1
1 1511 . 6 1 1 A 117 117 VAL C C 117 171.630 174.131 -2.501 1
1 1512 . 6 1 1 A 117 117 VAL CA C 117 57.440 61.621 -4.181 1
1 1513 . 6 1 1 A 117 117 VAL CB C 117 34.614 31.640 2.974 1
1 1516 . 6 1 1 A 117 117 VAL N N 117 118.940 119.373 -0.433 1
1 1517 . 6 1 1 A 118 118 ALA H H 118 8.310 8.492 -0.182 1
1 1518 . 6 1 1 A 118 118 ALA HA H 118 4.506 4.332 0.174 1
1 1522 . 6 1 1 A 118 118 ALA C C 118 174.660 175.964 -1.304 1
1 1523 . 6 1 1 A 118 118 ALA CA C 118 50.370 51.119 -0.749 1
1 1524 . 6 1 1 A 118 118 ALA CB C 118 20.250 18.466 1.784 1
1 1525 . 6 1 1 A 118 118 ALA N N 118 130.190 131.994 -1.804 1
1 1526 . 6 1 1 A 119 119 VAL H H 119 8.295 8.224 0.071 1
1 1527 . 6 1 1 A 119 119 VAL HA H 119 4.096 3.884 0.212 1
1 1535 . 6 1 1 A 119 119 VAL C C 119 175.320 175.791 -0.471 1
1 1536 . 6 1 1 A 119 119 VAL CA C 119 61.570 62.206 -0.636 1
1 1537 . 6 1 1 A 119 119 VAL CB C 119 31.445 30.389 1.056 1
1 1540 . 6 1 1 A 119 119 VAL N N 119 123.160 123.414 -0.254 1
1 1541 . 6 1 1 A 120 120 ARG H H 120 8.596 8.659 -0.063 1
1 1542 . 6 1 1 A 120 120 ARG HA H 120 4.534 4.570 -0.036 1
1 1550 . 6 1 1 A 120 120 ARG C C 120 175.260 176.494 -1.234 1
1 1551 . 6 1 1 A 120 120 ARG CA C 120 53.740 53.648 0.092 1
1 1552 . 6 1 1 A 120 120 ARG CB C 120 34.359 33.489 0.870 1
1 1555 . 6 1 1 A 120 120 ARG N N 120 123.692 127.713 -4.021 1
1 1557 . 6 1 1 A 121 121 PHE H H 121 8.585 8.879 -0.294 1
1 1558 . 6 1 1 A 121 121 PHE HA H 121 4.591 4.372 0.219 1
1 1566 . 6 1 1 A 121 121 PHE C C 121 176.430 174.997 1.433 1
1 1567 . 6 1 1 A 121 121 PHE CA C 121 60.370 57.874 2.496 1
1 1568 . 6 1 1 A 121 121 PHE CB C 121 38.713 39.210 -0.497 1
1 1572 . 6 1 1 A 121 121 PHE N N 121 120.110 120.738 -0.628 1
1 1573 . 6 1 1 A 122 122 ALA H H 122 7.896 8.010 -0.114 1
1 1574 . 6 1 1 A 122 122 ALA HA H 122 4.304 4.099 0.205 1
1 1578 . 6 1 1 A 122 122 ALA C C 122 177.430 177.563 -0.133 1
1 1579 . 6 1 1 A 122 122 ALA CA C 122 52.050 52.994 -0.944 1
1 1580 . 6 1 1 A 122 122 ALA CB C 122 19.865 17.884 1.981 1
1 1581 . 6 1 1 A 122 122 ALA N N 122 123.820 121.401 2.419 1
1 1582 . 6 1 1 A 123 123 SER H H 123 8.675 8.576 0.099 1
1 1583 . 6 1 1 A 123 123 SER HA H 123 4.372 4.632 -0.260 1
1 1586 . 6 1 1 A 123 123 SER C C 123 173.630 173.509 0.121 1
1 1587 . 6 1 1 A 123 123 SER CA C 123 58.750 57.681 1.069 1
1 1588 . 6 1 1 A 123 123 SER CB C 123 63.870 63.336 0.534 1
1 1589 . 6 1 1 A 123 123 SER N N 123 117.330 119.726 -2.396 1
1 14 . 7 1 1 A 2 2 ARG H H 2 9.247 8.563 0.684 1
1 15 . 7 1 1 A 2 2 ARG HA H 2 5.249 4.514 0.735 1
1 23 . 7 1 1 A 2 2 ARG C C 2 176.020 175.124 0.896 1
1 24 . 7 1 1 A 2 2 ARG CA C 2 56.360 56.802 -0.442 1
1 25 . 7 1 1 A 2 2 ARG CB C 2 31.953 31.570 0.383 1
1 28 . 7 1 1 A 2 2 ARG N N 2 129.420 126.487 2.933 1
1 30 . 7 1 1 A 3 3 VAL H H 3 9.361 8.480 0.881 1
1 31 . 7 1 1 A 3 3 VAL HA H 3 4.464 4.823 -0.359 1
1 39 . 7 1 1 A 3 3 VAL C C 3 173.160 174.653 -1.493 1
1 40 . 7 1 1 A 3 3 VAL CA C 3 61.330 61.771 -0.441 1
1 41 . 7 1 1 A 3 3 VAL CB C 3 36.251 34.407 1.844 1
1 44 . 7 1 1 A 3 3 VAL N N 3 126.750 120.457 6.293 1
1 45 . 7 1 1 A 4 4 GLU H H 4 9.294 8.950 0.344 1
1 46 . 7 1 1 A 4 4 GLU HA H 4 4.807 4.619 0.188 1
1 51 . 7 1 1 A 4 4 GLU C C 4 173.020 174.917 -1.897 1
1 52 . 7 1 1 A 4 4 GLU CA C 4 54.890 56.365 -1.475 1
1 53 . 7 1 1 A 4 4 GLU CB C 4 33.146 30.841 2.305 1
1 55 . 7 1 1 A 4 4 GLU N N 4 128.550 128.184 0.366 1
1 56 . 7 1 1 A 5 5 LEU H H 5 8.685 9.519 -0.834 1
1 57 . 7 1 1 A 5 5 LEU HA H 5 4.547 4.459 0.088 1
1 67 . 7 1 1 A 5 5 LEU C C 5 173.750 175.509 -1.759 1
1 68 . 7 1 1 A 5 5 LEU CA C 5 52.450 53.666 -1.216 1
1 69 . 7 1 1 A 5 5 LEU CB C 5 41.998 43.004 -1.006 1
1 73 . 7 1 1 A 5 5 LEU N N 5 124.490 126.647 -2.157 1
1 74 . 7 1 1 A 6 6 LEU H H 6 8.608 8.369 0.239 1
1 75 . 7 1 1 A 6 6 LEU HA H 6 4.502 4.572 -0.070 1
1 85 . 7 1 1 A 6 6 LEU C C 6 176.550 175.204 1.346 1
1 86 . 7 1 1 A 6 6 LEU CA C 6 53.790 53.942 -0.152 1
1 87 . 7 1 1 A 6 6 LEU CB C 6 42.240 42.768 -0.528 1
1 91 . 7 1 1 A 6 6 LEU N N 6 123.330 125.702 -2.372 1
1 92 . 7 1 1 A 7 7 PHE H H 7 8.344 8.923 -0.579 1
1 93 . 7 1 1 A 7 7 PHE HA H 7 5.378 4.817 0.561 1
1 101 . 7 1 1 A 7 7 PHE C C 7 175.050 175.965 -0.915 1
1 102 . 7 1 1 A 7 7 PHE CA C 7 55.830 56.680 -0.850 1
1 103 . 7 1 1 A 7 7 PHE CB C 7 39.383 43.570 -4.187 1
1 108 . 7 1 1 A 7 7 PHE N N 7 125.190 121.374 3.816 1
1 109 . 7 1 1 A 8 8 GLU H H 8 8.226 8.899 -0.673 1
1 110 . 7 1 1 A 8 8 GLU HA H 8 4.266 4.341 -0.075 1
1 115 . 7 1 1 A 8 8 GLU C C 8 180.740 176.975 3.765 1
1 116 . 7 1 1 A 8 8 GLU CA C 8 59.530 58.142 1.388 1
1 117 . 7 1 1 A 8 8 GLU CB C 8 29.723 29.485 0.238 1
1 119 . 7 1 1 A 8 8 GLU N N 8 120.100 122.152 -2.052 1
1 120 . 7 1 1 A 9 9 SER H H 9 9.069 8.014 1.055 1
1 121 . 7 1 1 A 9 9 SER HA H 9 4.467 4.709 -0.242 1
1 124 . 7 1 1 A 9 9 SER C C 9 173.740 173.552 0.188 1
1 125 . 7 1 1 A 9 9 SER CA C 9 58.600 58.366 0.234 1
1 126 . 7 1 1 A 9 9 SER CB C 9 63.120 65.191 -2.071 1
1 127 . 7 1 1 A 9 9 SER N N 9 112.770 112.982 -0.212 1
1 128 . 7 1 1 A 10 10 GLY H H 10 6.925 7.586 -0.661 1
1 129 . 7 1 1 A 10 10 GLY HA2 H 10 3.896 4.067 -0.171 1
1 130 . 7 1 1 A 10 10 GLY HA3 H 10 3.896 4.108 -0.212 1
1 131 . 7 1 1 A 10 10 GLY C C 10 170.040 171.209 -1.169 1
1 132 . 7 1 1 A 10 10 GLY CA C 10 45.466 45.943 -0.477 1
1 133 . 7 1 1 A 10 10 GLY N N 10 105.760 107.706 -1.946 1
1 134 . 7 1 1 A 11 11 LYS H H 11 9.071 9.021 0.050 1
1 135 . 7 1 1 A 11 11 LYS HA H 11 5.484 5.734 -0.250 1
1 144 . 7 1 1 A 11 11 LYS C C 11 174.230 174.575 -0.345 1
1 145 . 7 1 1 A 11 11 LYS CA C 11 55.460 54.914 0.546 1
1 146 . 7 1 1 A 11 11 LYS CB C 11 36.408 37.093 -0.685 1
1 150 . 7 1 1 A 11 11 LYS N N 11 118.960 116.819 2.141 1
1 151 . 7 1 1 A 12 12 CYS H H 12 8.917 8.938 -0.021 1
1 152 . 7 1 1 A 12 12 CYS HA H 12 5.083 5.047 0.036 1
1 155 . 7 1 1 A 12 12 CYS C C 12 171.760 172.940 -1.180 1
1 156 . 7 1 1 A 12 12 CYS CA C 12 56.770 56.951 -0.181 1
1 157 . 7 1 1 A 12 12 CYS CB C 12 31.267 31.280 -0.013 1
1 158 . 7 1 1 A 12 12 CYS N N 12 115.700 117.718 -2.018 1
1 159 . 7 1 1 A 13 13 VAL H H 13 8.474 8.225 0.249 1
1 160 . 7 1 1 A 13 13 VAL HA H 13 4.992 4.777 0.215 1
1 168 . 7 1 1 A 13 13 VAL C C 13 175.660 173.818 1.842 1
1 169 . 7 1 1 A 13 13 VAL CA C 13 61.490 60.017 1.473 1
1 170 . 7 1 1 A 13 13 VAL CB C 13 35.125 35.793 -0.668 1
1 173 . 7 1 1 A 13 13 VAL N N 13 120.490 120.636 -0.146 1
1 174 . 7 1 1 A 14 14 ILE H H 14 9.378 9.281 0.097 1
1 175 . 7 1 1 A 14 14 ILE HA H 14 5.335 5.422 -0.087 1
1 185 . 7 1 1 A 14 14 ILE C C 14 172.570 173.851 -1.281 1
1 186 . 7 1 1 A 14 14 ILE CA C 14 58.540 59.579 -1.039 1
1 187 . 7 1 1 A 14 14 ILE CB C 14 40.755 40.794 -0.039 1
1 191 . 7 1 1 A 14 14 ILE N N 14 120.140 122.504 -2.364 1
1 192 . 7 1 1 A 15 15 ASP H H 15 9.295 9.117 0.178 1
1 193 . 7 1 1 A 15 15 ASP HA H 15 5.274 4.955 0.319 1
1 196 . 7 1 1 A 15 15 ASP C C 15 176.510 174.913 1.597 1
1 197 . 7 1 1 A 15 15 ASP CA C 15 53.050 53.417 -0.367 1
1 198 . 7 1 1 A 15 15 ASP CB C 15 44.007 41.450 2.557 1
1 199 . 7 1 1 A 15 15 ASP N N 15 123.200 127.379 -4.179 1
1 200 . 7 1 1 A 16 16 LEU H H 16 8.892 8.640 0.252 1
1 201 . 7 1 1 A 16 16 LEU HA H 16 4.981 5.354 -0.373 1
1 211 . 7 1 1 A 16 16 LEU C C 16 175.430 175.635 -0.205 1
1 212 . 7 1 1 A 16 16 LEU CA C 16 53.040 53.611 -0.571 1
1 213 . 7 1 1 A 16 16 LEU CB C 16 45.782 44.615 1.167 1
1 217 . 7 1 1 A 16 16 LEU N N 16 123.620 127.722 -4.102 1
1 218 . 7 1 1 A 17 17 ASN H H 17 8.694 8.522 0.172 1
1 219 . 7 1 1 A 17 17 ASN HA H 17 4.632 4.884 -0.252 1
1 224 . 7 1 1 A 17 17 ASN C C 17 175.500 176.189 -0.689 1
1 225 . 7 1 1 A 17 17 ASN CA C 17 53.310 53.269 0.041 1
1 226 . 7 1 1 A 17 17 ASN CB C 17 38.508 40.314 -1.806 1
1 227 . 7 1 1 A 17 17 ASN N N 17 121.330 123.039 -1.709 1
1 229 . 7 1 1 A 18 18 GLU H H 18 8.793 9.145 -0.352 1
1 230 . 7 1 1 A 18 18 GLU HA H 18 3.736 4.314 -0.578 1
1 235 . 7 1 1 A 18 18 GLU C C 18 175.250 177.064 -1.814 1
1 236 . 7 1 1 A 18 18 GLU CA C 18 58.330 57.620 0.710 1
1 237 . 7 1 1 A 18 18 GLU CB C 18 29.947 29.482 0.465 1
1 239 . 7 1 1 A 18 18 GLU N N 18 124.750 125.506 -0.756 1
1 240 . 7 1 1 A 19 19 GLU H H 19 8.187 7.531 0.656 1
1 241 . 7 1 1 A 19 19 GLU HA H 19 3.885 4.336 -0.451 1
1 246 . 7 1 1 A 19 19 GLU C C 19 177.350 175.074 2.276 1
1 247 . 7 1 1 A 19 19 GLU CA C 19 57.730 56.435 1.295 1
1 248 . 7 1 1 A 19 19 GLU CB C 19 29.744 30.331 -0.587 1
1 250 . 7 1 1 A 19 19 GLU N N 19 117.280 117.361 -0.081 1
1 251 . 7 1 1 A 20 20 TYR H H 20 7.135 7.636 -0.501 1
1 252 . 7 1 1 A 20 20 TYR HA H 20 4.668 4.907 -0.239 1
1 259 . 7 1 1 A 20 20 TYR CA C 20 56.050 57.001 -0.951 1
1 260 . 7 1 1 A 20 20 TYR CB C 20 38.464 40.854 -2.390 1
1 263 . 7 1 1 A 20 20 TYR N N 20 117.730 120.214 -2.484 1
1 264 . 7 1 1 A 21 21 GLU H H 21 10.044 9.024 1.020 1
1 265 . 7 1 1 A 21 21 GLU HA H 21 3.807 3.917 -0.110 1
1 270 . 7 1 1 A 21 21 GLU C C 21 179.150 178.247 0.903 1
1 271 . 7 1 1 A 21 21 GLU CA C 21 60.640 59.993 0.647 1
1 272 . 7 1 1 A 21 21 GLU CB C 21 29.167 29.555 -0.388 1
1 274 . 7 1 1 A 21 21 GLU N N 21 129.480 125.080 4.400 1
1 275 . 7 1 1 A 22 22 VAL H H 22 9.539 8.141 1.398 1
1 276 . 7 1 1 A 22 22 VAL HA H 22 3.574 3.804 -0.230 1
1 284 . 7 1 1 A 22 22 VAL C C 22 175.490 177.470 -1.980 1
1 285 . 7 1 1 A 22 22 VAL CA C 22 64.470 65.384 -0.914 1
1 286 . 7 1 1 A 22 22 VAL CB C 22 30.858 31.168 -0.310 1
1 289 . 7 1 1 A 22 22 VAL N N 22 115.360 118.902 -3.542 1
1 290 . 7 1 1 A 23 23 VAL H H 23 6.843 8.046 -1.203 1
1 291 . 7 1 1 A 23 23 VAL HA H 23 3.387 3.792 -0.405 1
1 299 . 7 1 1 A 23 23 VAL C C 23 176.900 178.121 -1.221 1
1 300 . 7 1 1 A 23 23 VAL CA C 23 67.030 66.598 0.432 1
1 301 . 7 1 1 A 23 23 VAL CB C 23 31.499 32.005 -0.506 1
1 304 . 7 1 1 A 23 23 VAL N N 23 121.150 121.227 -0.077 1
1 305 . 7 1 1 A 24 24 LYS H H 24 7.533 7.732 -0.199 1
1 306 . 7 1 1 A 24 24 LYS HA H 24 3.851 3.975 -0.124 1
1 315 . 7 1 1 A 24 24 LYS C C 24 179.820 179.389 0.431 1
1 316 . 7 1 1 A 24 24 LYS CA C 24 60.480 59.928 0.552 1
1 317 . 7 1 1 A 24 24 LYS CB C 24 32.626 32.390 0.236 1
1 321 . 7 1 1 A 24 24 LYS N N 24 120.120 119.719 0.401 1
1 322 . 7 1 1 A 25 25 LEU H H 25 7.870 8.055 -0.185 1
1 323 . 7 1 1 A 25 25 LEU HA H 25 4.097 4.257 -0.160 1
1 333 . 7 1 1 A 25 25 LEU C C 25 180.620 179.456 1.164 1
1 334 . 7 1 1 A 25 25 LEU CA C 25 57.440 57.197 0.243 1
1 335 . 7 1 1 A 25 25 LEU CB C 25 41.717 41.648 0.069 1
1 339 . 7 1 1 A 25 25 LEU N N 25 117.260 119.427 -2.167 1
1 340 . 7 1 1 A 26 26 LEU H H 26 8.489 8.504 -0.015 1
1 341 . 7 1 1 A 26 26 LEU HA H 26 3.703 3.975 -0.272 1
1 351 . 7 1 1 A 26 26 LEU C C 26 178.820 179.403 -0.583 1
1 352 . 7 1 1 A 26 26 LEU CA C 26 58.310 57.287 1.023 1
1 353 . 7 1 1 A 26 26 LEU CB C 26 42.487 40.921 1.566 1
1 357 . 7 1 1 A 26 26 LEU N N 26 121.760 119.295 2.465 1
1 358 . 7 1 1 A 27 27 LYS H H 27 8.190 7.866 0.324 1
1 359 . 7 1 1 A 27 27 LYS HA H 27 3.799 4.292 -0.493 1
1 368 . 7 1 1 A 27 27 LYS C C 27 177.470 178.821 -1.351 1
1 369 . 7 1 1 A 27 27 LYS CA C 27 60.480 59.340 1.140 1
1 370 . 7 1 1 A 27 27 LYS CB C 27 33.472 32.234 1.238 1
1 374 . 7 1 1 A 27 27 LYS N N 27 117.650 121.467 -3.817 1
1 375 . 7 1 1 A 28 28 GLU H H 28 6.841 7.919 -1.078 1
1 376 . 7 1 1 A 28 28 GLU HA H 28 4.238 4.179 0.059 1
1 381 . 7 1 1 A 28 28 GLU C C 28 177.280 177.482 -0.202 1
1 382 . 7 1 1 A 28 28 GLU CA C 28 57.370 58.988 -1.618 1
1 383 . 7 1 1 A 28 28 GLU CB C 28 30.480 29.453 1.027 1
1 385 . 7 1 1 A 28 28 GLU N N 28 111.940 117.865 -5.925 1
1 386 . 7 1 1 A 29 29 LYS H H 29 7.577 8.031 -0.454 1
1 387 . 7 1 1 A 29 29 LYS HA H 29 4.414 4.507 -0.093 1
1 396 . 7 1 1 A 29 29 LYS C C 29 175.230 175.399 -0.169 1
1 397 . 7 1 1 A 29 29 LYS CA C 29 53.800 54.933 -1.133 1
1 398 . 7 1 1 A 29 29 LYS CB C 29 33.530 32.703 0.827 1
1 402 . 7 1 1 A 29 29 LYS N N 29 115.460 116.257 -0.797 1
1 403 . 7 1 1 A 30 30 ILE H H 30 6.921 7.525 -0.604 1
1 404 . 7 1 1 A 30 30 ILE HA H 30 3.939 4.573 -0.634 1
1 414 . 7 1 1 A 30 30 ILE CA C 30 60.290 57.499 2.791 1
1 415 . 7 1 1 A 30 30 ILE CB C 30 39.967 40.035 -0.068 1
1 419 . 7 1 1 A 30 30 ILE N N 30 122.100 121.189 0.911 1
1 420 . 7 1 1 A 31 31 PRO HA H 31 4.840 4.678 0.162 1
1 427 . 7 1 1 A 31 31 PRO C C 31 175.340 176.238 -0.898 1
1 428 . 7 1 1 A 31 31 PRO CA C 31 62.720 62.674 0.046 1
1 429 . 7 1 1 A 31 31 PRO CB C 31 36.350 32.877 3.473 1
1 432 . 7 1 1 A 32 32 PHE H H 32 7.627 8.681 -1.054 1
1 433 . 7 1 1 A 32 32 PHE HA H 32 4.959 5.106 -0.147 1
1 441 . 7 1 1 A 32 32 PHE C C 32 171.870 172.278 -0.408 1
1 442 . 7 1 1 A 32 32 PHE CA C 32 56.300 56.015 0.285 1
1 443 . 7 1 1 A 32 32 PHE CB C 32 40.253 41.930 -1.677 1
1 447 . 7 1 1 A 32 32 PHE N N 32 112.880 117.277 -4.397 1
1 448 . 7 1 1 A 33 33 GLU H H 33 8.728 8.638 0.090 1
1 449 . 7 1 1 A 33 33 GLU HA H 33 5.309 5.239 0.070 1
1 454 . 7 1 1 A 33 33 GLU C C 33 175.630 175.137 0.493 1
1 455 . 7 1 1 A 33 33 GLU CA C 33 54.450 54.627 -0.177 1
1 456 . 7 1 1 A 33 33 GLU CB C 33 33.814 33.170 0.644 1
1 458 . 7 1 1 A 33 33 GLU N N 33 118.710 119.198 -0.488 1
1 459 . 7 1 1 A 34 34 SER H H 34 8.964 8.297 0.667 1
1 460 . 7 1 1 A 34 34 SER HA H 34 4.803 4.933 -0.130 1
1 463 . 7 1 1 A 34 34 SER C C 34 174.560 173.016 1.544 1
1 464 . 7 1 1 A 34 34 SER CA C 34 55.830 56.138 -0.308 1
1 465 . 7 1 1 A 34 34 SER CB C 34 64.270 65.618 -1.348 1
1 466 . 7 1 1 A 34 34 SER N N 34 115.150 115.252 -0.102 1
1 467 . 7 1 1 A 35 35 VAL H H 35 8.322 8.707 -0.385 1
1 468 . 7 1 1 A 35 35 VAL HA H 35 4.724 4.367 0.357 1
1 476 . 7 1 1 A 35 35 VAL C C 35 174.950 175.680 -0.730 1
1 477 . 7 1 1 A 35 35 VAL CA C 35 61.350 62.198 -0.848 1
1 478 . 7 1 1 A 35 35 VAL CB C 35 35.676 32.114 3.562 1
1 481 . 7 1 1 A 35 35 VAL N N 35 121.700 122.440 -0.740 1
1 482 . 7 1 1 A 36 36 VAL H H 36 9.200 8.785 0.415 1
1 483 . 7 1 1 A 36 36 VAL HA H 36 3.999 4.551 -0.552 1
1 491 . 7 1 1 A 36 36 VAL C C 36 175.490 175.226 0.264 1
1 492 . 7 1 1 A 36 36 VAL CA C 36 63.900 62.140 1.760 1
1 493 . 7 1 1 A 36 36 VAL CB C 36 33.593 30.564 3.029 1
1 496 . 7 1 1 A 36 36 VAL N N 36 123.870 128.331 -4.461 1
1 497 . 7 1 1 A 37 37 ASN H H 37 8.739 8.218 0.521 1
1 498 . 7 1 1 A 37 37 ASN HA H 37 5.276 4.696 0.580 1
1 503 . 7 1 1 A 37 37 ASN C C 37 174.040 175.371 -1.331 1
1 504 . 7 1 1 A 37 37 ASN CA C 37 51.960 53.716 -1.756 1
1 505 . 7 1 1 A 37 37 ASN CB C 37 41.996 38.586 3.410 1
1 506 . 7 1 1 A 37 37 ASN N N 37 123.895 124.609 -0.714 1
1 508 . 7 1 1 A 38 38 THR H H 38 8.703 8.834 -0.131 1
1 509 . 7 1 1 A 38 38 THR HA H 38 5.323 5.482 -0.159 1
1 514 . 7 1 1 A 38 38 THR C C 38 174.910 173.424 1.486 1
1 515 . 7 1 1 A 38 38 THR CA C 38 59.740 60.237 -0.497 1
1 516 . 7 1 1 A 38 38 THR CB C 38 71.332 71.538 -0.206 1
1 518 . 7 1 1 A 38 38 THR N N 38 111.440 111.813 -0.373 1
1 519 . 7 1 1 A 39 39 TRP H H 39 8.489 9.162 -0.673 1
1 520 . 7 1 1 A 39 39 TRP HA H 39 4.838 4.884 -0.046 1
1 529 . 7 1 1 A 39 39 TRP C C 39 175.270 175.725 -0.455 1
1 530 . 7 1 1 A 39 39 TRP CA C 39 57.040 56.629 0.411 1
1 531 . 7 1 1 A 39 39 TRP CB C 39 29.089 30.629 -1.540 1
1 537 . 7 1 1 A 39 39 TRP N N 39 125.321 125.584 -0.263 1
1 539 . 7 1 1 A 40 40 GLY H H 40 8.596 8.558 0.038 1
1 540 . 7 1 1 A 40 40 GLY HA2 H 40 3.528 3.525 0.003 1
1 541 . 7 1 1 A 40 40 GLY HA3 H 40 3.465 3.713 -0.248 1
1 542 . 7 1 1 A 40 40 GLY CA C 40 47.619 46.803 0.816 1
1 543 . 7 1 1 A 40 40 GLY N N 40 113.220 114.199 -0.979 1
1 544 . 7 1 1 A 41 41 GLU H H 41 7.870 8.461 -0.591 1
1 545 . 7 1 1 A 41 41 GLU HA H 41 3.717 3.643 0.074 1
1 550 . 7 1 1 A 41 41 GLU C C 41 171.810 174.539 -2.729 1
1 551 . 7 1 1 A 41 41 GLU CA C 41 55.390 57.233 -1.843 1
1 552 . 7 1 1 A 41 41 GLU CB C 41 26.025 27.505 -1.480 1
1 554 . 7 1 1 A 41 41 GLU N N 41 128.227 110.777 17.450 1
1 555 . 7 1 1 A 42 42 GLU H H 42 7.158 7.774 -0.616 1
1 556 . 7 1 1 A 42 42 GLU HA H 42 4.811 4.495 0.316 1
1 561 . 7 1 1 A 42 42 GLU C C 42 175.680 174.427 1.253 1
1 562 . 7 1 1 A 42 42 GLU CA C 42 53.860 55.873 -2.013 1
1 563 . 7 1 1 A 42 42 GLU CB C 42 31.149 33.000 -1.851 1
1 565 . 7 1 1 A 42 42 GLU N N 42 116.880 117.579 -0.699 1
1 566 . 7 1 1 A 43 43 ILE H H 43 8.226 8.558 -0.332 1
1 567 . 7 1 1 A 43 43 ILE HA H 43 4.934 5.409 -0.475 1
1 577 . 7 1 1 A 43 43 ILE C C 43 174.420 174.100 0.320 1
1 578 . 7 1 1 A 43 43 ILE CA C 43 59.250 59.984 -0.734 1
1 579 . 7 1 1 A 43 43 ILE CB C 43 43.278 42.137 1.141 1
1 583 . 7 1 1 A 43 43 ILE N N 43 125.120 124.958 0.162 1
1 584 . 7 1 1 A 44 44 TYR H H 44 9.318 9.161 0.157 1
1 585 . 7 1 1 A 44 44 TYR HA H 44 6.008 5.352 0.656 1
1 592 . 7 1 1 A 44 44 TYR C C 44 174.150 173.284 0.866 1
1 593 . 7 1 1 A 44 44 TYR CA C 44 55.740 55.836 -0.096 1
1 594 . 7 1 1 A 44 44 TYR CB C 44 42.606 41.491 1.115 1
1 597 . 7 1 1 A 44 44 TYR N N 44 124.370 122.658 1.712 1
1 598 . 7 1 1 A 45 45 PHE H H 45 8.211 8.775 -0.564 1
1 599 . 7 1 1 A 45 45 PHE HA H 45 5.088 5.405 -0.317 1
1 607 . 7 1 1 A 45 45 PHE C C 45 173.730 173.463 0.267 1
1 608 . 7 1 1 A 45 45 PHE CA C 45 55.140 55.833 -0.693 1
1 609 . 7 1 1 A 45 45 PHE CB C 45 40.793 42.176 -1.383 1
1 613 . 7 1 1 A 45 45 PHE N N 45 114.110 116.995 -2.885 1
1 614 . 7 1 1 A 46 46 SER H H 46 9.523 8.774 0.749 1
1 615 . 7 1 1 A 46 46 SER HA H 46 4.316 4.963 -0.647 1
1 618 . 7 1 1 A 46 46 SER C C 46 174.360 174.072 0.288 1
1 619 . 7 1 1 A 46 46 SER CA C 46 59.960 57.847 2.113 1
1 620 . 7 1 1 A 46 46 SER CB C 46 63.980 62.415 1.565 1
1 621 . 7 1 1 A 46 46 SER N N 46 117.150 115.343 1.807 1
1 622 . 7 1 1 A 47 47 THR H H 47 8.225 8.292 -0.067 1
1 623 . 7 1 1 A 47 47 THR HA H 47 4.971 4.726 0.245 1
1 628 . 7 1 1 A 47 47 THR CA C 47 59.160 60.645 -1.485 1
1 629 . 7 1 1 A 47 47 THR CB C 47 70.385 68.808 1.577 1
1 631 . 7 1 1 A 47 47 THR N N 47 113.910 116.893 -2.983 1
1 632 . 7 1 1 A 48 48 PRO HA H 48 4.585 4.408 0.177 1
1 639 . 7 1 1 A 48 48 PRO C C 48 175.940 175.895 0.045 1
1 640 . 7 1 1 A 48 48 PRO CA C 48 62.410 63.530 -1.120 1
1 641 . 7 1 1 A 48 48 PRO CB C 48 31.770 32.078 -0.308 1
1 644 . 7 1 1 A 49 49 VAL H H 49 7.458 7.687 -0.229 1
1 645 . 7 1 1 A 49 49 VAL HA H 49 4.178 4.303 -0.125 1
1 653 . 7 1 1 A 49 49 VAL C C 49 174.070 175.529 -1.459 1
1 654 . 7 1 1 A 49 49 VAL CA C 49 60.840 61.046 -0.206 1
1 655 . 7 1 1 A 49 49 VAL CB C 49 34.134 33.334 0.800 1
1 658 . 7 1 1 A 49 49 VAL N N 49 114.800 120.311 -5.511 1
1 659 . 7 1 1 A 50 50 ASN H H 50 8.897 8.580 0.317 1
1 660 . 7 1 1 A 50 50 ASN HA H 50 4.684 5.032 -0.348 1
1 665 . 7 1 1 A 50 50 ASN C C 50 173.550 174.802 -1.252 1
1 666 . 7 1 1 A 50 50 ASN CA C 50 51.610 52.621 -1.011 1
1 667 . 7 1 1 A 50 50 ASN CB C 50 39.730 39.354 0.376 1
1 668 . 7 1 1 A 50 50 ASN N N 50 126.400 124.241 2.159 1
1 670 . 7 1 1 A 51 51 VAL H H 51 7.587 7.351 0.236 1
1 671 . 7 1 1 A 51 51 VAL HA H 51 4.148 4.086 0.062 1
1 679 . 7 1 1 A 51 51 VAL C C 51 174.350 176.195 -1.845 1
1 680 . 7 1 1 A 51 51 VAL CA C 51 61.280 62.425 -1.145 1
1 681 . 7 1 1 A 51 51 VAL CB C 51 35.206 32.464 2.742 1
1 684 . 7 1 1 A 51 51 VAL N N 51 122.670 121.133 1.537 1
1 685 . 7 1 1 A 52 52 GLN H H 52 8.337 8.777 -0.440 1
1 686 . 7 1 1 A 52 52 GLN HA H 52 4.094 4.867 -0.773 1
1 693 . 7 1 1 A 52 52 GLN C C 52 176.240 174.543 1.697 1
1 694 . 7 1 1 A 52 52 GLN CA C 52 56.560 55.199 1.361 1
1 695 . 7 1 1 A 52 52 GLN CB C 52 29.745 29.293 0.452 1
1 697 . 7 1 1 A 52 52 GLN N N 52 122.670 126.245 -3.575 1
1 699 . 7 1 1 A 53 53 LYS H H 53 7.363 7.698 -0.335 1
1 700 . 7 1 1 A 53 53 LYS HA H 53 3.994 5.064 -1.070 1
1 709 . 7 1 1 A 53 53 LYS C C 53 176.010 174.851 1.159 1
1 710 . 7 1 1 A 53 53 LYS CA C 53 56.960 54.891 2.069 1
1 711 . 7 1 1 A 53 53 LYS CB C 53 33.000 34.538 -1.538 1
1 715 . 7 1 1 A 53 53 LYS N N 53 119.940 121.845 -1.905 1
1 716 . 7 1 1 A 54 54 MET H H 54 8.797 8.841 -0.044 1
1 717 . 7 1 1 A 54 54 MET HA H 54 4.449 4.522 -0.073 1
1 725 . 7 1 1 A 54 54 MET C C 54 174.630 175.906 -1.276 1
1 726 . 7 1 1 A 54 54 MET CA C 54 54.530 54.076 0.454 1
1 727 . 7 1 1 A 54 54 MET CB C 54 36.912 33.547 3.365 1
1 730 . 7 1 1 A 54 54 MET N N 54 124.720 124.665 0.055 1
1 731 . 7 1 1 A 55 55 GLU H H 55 9.773 8.957 0.816 1
1 732 . 7 1 1 A 55 55 GLU HA H 55 4.029 4.368 -0.339 1
1 737 . 7 1 1 A 55 55 GLU C C 55 176.930 176.902 0.028 1
1 738 . 7 1 1 A 55 55 GLU CA C 55 59.910 58.013 1.897 1
1 739 . 7 1 1 A 55 55 GLU CB C 55 29.611 31.074 -1.463 1
1 741 . 7 1 1 A 55 55 GLU N N 55 124.250 121.433 2.817 1
1 742 . 7 1 1 A 56 56 ASN H H 56 8.371 7.577 0.794 1
1 743 . 7 1 1 A 56 56 ASN HA H 56 5.163 5.031 0.132 1
1 748 . 7 1 1 A 56 56 ASN CA C 56 50.680 50.264 0.416 1
1 749 . 7 1 1 A 56 56 ASN CB C 56 39.563 38.779 0.784 1
1 750 . 7 1 1 A 56 56 ASN N N 56 115.600 117.544 -1.944 1
1 752 . 7 1 1 A 57 57 PRO HA H 57 4.854 5.113 -0.259 1
1 759 . 7 1 1 A 57 57 PRO C C 57 178.760 175.983 2.777 1
1 760 . 7 1 1 A 57 57 PRO CA C 57 62.630 62.632 -0.002 1
1 761 . 7 1 1 A 57 57 PRO CB C 57 32.197 32.272 -0.075 1
1 764 . 7 1 1 A 58 58 ARG H H 58 9.448 8.558 0.890 1
1 765 . 7 1 1 A 58 58 ARG HA H 58 4.636 4.762 -0.126 1
1 773 . 7 1 1 A 58 58 ARG C C 58 175.430 175.513 -0.083 1
1 774 . 7 1 1 A 58 58 ARG CA C 58 54.210 54.263 -0.053 1
1 775 . 7 1 1 A 58 58 ARG CB C 58 34.208 35.023 -0.815 1
1 778 . 7 1 1 A 58 58 ARG N N 58 122.690 122.028 0.662 1
1 780 . 7 1 1 A 59 59 GLU H H 59 8.694 8.824 -0.130 1
1 781 . 7 1 1 A 59 59 GLU HA H 59 4.096 4.621 -0.525 1
1 786 . 7 1 1 A 59 59 GLU C C 59 175.210 175.577 -0.367 1
1 787 . 7 1 1 A 59 59 GLU CA C 59 56.470 56.303 0.167 1
1 788 . 7 1 1 A 59 59 GLU CB C 59 31.074 30.583 0.491 1
1 790 . 7 1 1 A 59 59 GLU N N 59 119.520 119.754 -0.234 1
1 791 . 7 1 1 A 60 60 VAL H H 60 7.296 7.479 -0.183 1
1 792 . 7 1 1 A 60 60 VAL HA H 60 4.471 4.527 -0.056 1
1 800 . 7 1 1 A 60 60 VAL C C 60 174.900 173.475 1.425 1
1 801 . 7 1 1 A 60 60 VAL CA C 60 61.058 60.612 0.446 1
1 802 . 7 1 1 A 60 60 VAL CB C 60 35.056 34.381 0.675 1
1 805 . 7 1 1 A 60 60 VAL N N 60 117.380 117.776 -0.396 1
1 806 . 7 1 1 A 61 61 VAL H H 61 8.064 8.590 -0.526 1
1 807 . 7 1 1 A 61 61 VAL HA H 61 4.540 4.881 -0.341 1
1 815 . 7 1 1 A 61 61 VAL C C 61 172.880 174.793 -1.913 1
1 816 . 7 1 1 A 61 61 VAL CA C 61 58.820 58.851 -0.031 1
1 817 . 7 1 1 A 61 61 VAL CB C 61 33.464 36.104 -2.640 1
1 820 . 7 1 1 A 61 61 VAL N N 61 117.630 120.470 -2.840 1
1 821 . 7 1 1 A 62 62 GLU H H 62 8.620 8.364 0.256 1
1 822 . 7 1 1 A 62 62 GLU HA H 62 4.543 4.592 -0.049 1
1 827 . 7 1 1 A 62 62 GLU C C 62 176.350 177.164 -0.814 1
1 828 . 7 1 1 A 62 62 GLU CA C 62 53.640 54.681 -1.041 1
1 829 . 7 1 1 A 62 62 GLU CB C 62 32.360 31.538 0.822 1
1 831 . 7 1 1 A 62 62 GLU N N 62 118.060 119.767 -1.707 1
1 832 . 7 1 1 A 63 63 ILE H H 63 8.520 8.489 0.031 1
1 833 . 7 1 1 A 63 63 ILE HA H 63 3.275 4.430 -1.155 1
1 843 . 7 1 1 A 63 63 ILE C C 63 177.940 175.908 2.032 1
1 844 . 7 1 1 A 63 63 ILE CA C 63 64.410 61.297 3.113 1
1 845 . 7 1 1 A 63 63 ILE CB C 63 37.674 37.321 0.353 1
1 849 . 7 1 1 A 63 63 ILE N N 63 120.310 122.222 -1.912 1
1 850 . 7 1 1 A 64 64 GLY H H 64 9.091 7.520 1.571 1
1 851 . 7 1 1 A 64 64 GLY HA2 H 64 3.563 4.195 -0.632 1
1 852 . 7 1 1 A 64 64 GLY HA3 H 64 4.774 4.242 0.532 1
1 853 . 7 1 1 A 64 64 GLY C C 64 173.290 173.395 -0.105 1
1 854 . 7 1 1 A 64 64 GLY CA C 64 45.359 45.801 -0.442 1
1 855 . 7 1 1 A 64 64 GLY N N 64 116.340 109.744 6.596 1
1 856 . 7 1 1 A 65 65 ASP H H 65 8.335 7.982 0.353 1
1 857 . 7 1 1 A 65 65 ASP HA H 65 4.914 5.312 -0.398 1
1 860 . 7 1 1 A 65 65 ASP C C 65 175.180 174.596 0.584 1
1 861 . 7 1 1 A 65 65 ASP CA C 65 56.630 52.699 3.931 1
1 862 . 7 1 1 A 65 65 ASP CB C 65 41.980 44.210 -2.230 1
1 863 . 7 1 1 A 65 65 ASP N N 65 121.610 119.477 2.133 1
1 864 . 7 1 1 A 66 66 VAL H H 66 7.580 8.747 -1.167 1
1 865 . 7 1 1 A 66 66 VAL HA H 66 5.085 5.212 -0.127 1
1 873 . 7 1 1 A 66 66 VAL C C 66 176.170 175.207 0.963 1
1 874 . 7 1 1 A 66 66 VAL CA C 66 60.240 60.480 -0.240 1
1 875 . 7 1 1 A 66 66 VAL CB C 66 33.783 36.442 -2.659 1
1 878 . 7 1 1 A 66 66 VAL N N 66 117.330 119.323 -1.993 1
1 879 . 7 1 1 A 67 67 GLY H H 67 9.592 8.102 1.490 1
1 880 . 7 1 1 A 67 67 GLY HA2 H 67 5.899 4.348 1.551 1
1 881 . 7 1 1 A 67 67 GLY HA3 H 67 3.200 4.471 -1.271 1
1 882 . 7 1 1 A 67 67 GLY C C 67 171.740 172.662 -0.922 1
1 883 . 7 1 1 A 67 67 GLY CA C 67 43.580 45.773 -2.193 1
1 884 . 7 1 1 A 67 67 GLY N N 67 111.440 111.510 -0.070 1
1 885 . 7 1 1 A 68 68 TYR H H 68 9.146 9.451 -0.305 1
1 886 . 7 1 1 A 68 68 TYR HA H 68 5.809 4.840 0.969 1
1 889 . 7 1 1 A 68 68 TYR C C 68 173.860 175.260 -1.400 1
1 890 . 7 1 1 A 68 68 TYR CA C 68 55.900 58.040 -2.140 1
1 891 . 7 1 1 A 68 68 TYR CB C 68 42.170 39.257 2.913 1
1 892 . 7 1 1 A 68 68 TYR N N 68 119.980 122.139 -2.159 1
1 893 . 7 1 1 A 69 69 TRP H H 69 9.213 8.582 0.631 1
1 894 . 7 1 1 A 69 69 TRP HA H 69 5.268 4.873 0.395 1
1 902 . 7 1 1 A 69 69 TRP CA C 69 53.390 55.149 -1.759 1
1 903 . 7 1 1 A 69 69 TRP CB C 69 30.442 30.483 -0.041 1
1 908 . 7 1 1 A 69 69 TRP N N 69 132.150 125.175 6.975 1
1 910 . 7 1 1 A 70 70 PRO HA H 70 3.923 4.077 -0.154 1
1 917 . 7 1 1 A 70 70 PRO CA C 70 66.753 64.331 2.422 1
1 918 . 7 1 1 A 70 70 PRO CB C 70 30.054 31.453 -1.399 1
1 921 . 7 1 1 A 71 71 PRO HA H 71 3.716 4.074 -0.358 1
1 928 . 7 1 1 A 71 71 PRO CA C 71 65.803 64.342 1.461 1
1 929 . 7 1 1 A 71 71 PRO CB C 71 30.620 30.956 -0.336 1
1 932 . 7 1 1 A 72 72 GLY HA2 H 72 3.168 3.802 -0.634 1
1 933 . 7 1 1 A 72 72 GLY HA3 H 72 4.271 3.810 0.461 1
1 934 . 7 1 1 A 72 72 GLY C C 72 173.220 173.602 -0.382 1
1 935 . 7 1 1 A 72 72 GLY CA C 72 44.350 44.933 -0.583 1
1 936 . 7 1 1 A 73 73 LYS H H 73 7.989 7.326 0.663 1
1 937 . 7 1 1 A 73 73 LYS HA H 73 3.566 3.881 -0.315 1
1 946 . 7 1 1 A 73 73 LYS C C 73 177.420 175.511 1.909 1
1 947 . 7 1 1 A 73 73 LYS CA C 73 57.790 56.933 0.857 1
1 948 . 7 1 1 A 73 73 LYS CB C 73 29.398 30.842 -1.444 1
1 952 . 7 1 1 A 73 73 LYS N N 73 121.515 116.697 4.818 1
1 953 . 7 1 1 A 74 74 ALA H H 74 6.969 7.511 -0.542 1
1 954 . 7 1 1 A 74 74 ALA HA H 74 5.123 5.119 0.004 1
1 958 . 7 1 1 A 74 74 ALA C C 74 177.490 175.748 1.742 1
1 959 . 7 1 1 A 74 74 ALA CA C 74 51.900 51.268 0.632 1
1 960 . 7 1 1 A 74 74 ALA CB C 74 23.090 23.217 -0.127 1
1 961 . 7 1 1 A 74 74 ALA N N 74 118.780 119.508 -0.728 1
1 962 . 7 1 1 A 75 75 LEU H H 75 8.032 7.966 0.066 1
1 963 . 7 1 1 A 75 75 LEU HA H 75 4.844 4.432 0.412 1
1 973 . 7 1 1 A 75 75 LEU C C 75 175.540 175.821 -0.281 1
1 974 . 7 1 1 A 75 75 LEU CA C 75 54.000 54.419 -0.419 1
1 975 . 7 1 1 A 75 75 LEU CB C 75 43.858 42.631 1.227 1
1 979 . 7 1 1 A 75 75 LEU N N 75 122.780 119.651 3.129 1
1 980 . 7 1 1 A 76 76 CYS H H 76 8.813 8.479 0.334 1
1 981 . 7 1 1 A 76 76 CYS HA H 76 5.178 4.966 0.212 1
1 984 . 7 1 1 A 76 76 CYS C C 76 173.080 172.783 0.297 1
1 985 . 7 1 1 A 76 76 CYS CA C 76 55.850 58.135 -2.285 1
1 986 . 7 1 1 A 76 76 CYS CB C 76 31.922 31.573 0.349 1
1 987 . 7 1 1 A 76 76 CYS N N 76 117.950 119.143 -1.193 1
1 988 . 7 1 1 A 77 77 LEU H H 77 9.621 8.455 1.166 1
1 989 . 7 1 1 A 77 77 LEU HA H 77 4.741 5.044 -0.303 1
1 999 . 7 1 1 A 77 77 LEU C C 77 175.040 175.256 -0.216 1
1 1000 . 7 1 1 A 77 77 LEU CA C 77 53.510 53.475 0.035 1
1 1001 . 7 1 1 A 77 77 LEU CB C 77 44.058 45.034 -0.976 1
1 1005 . 7 1 1 A 77 77 LEU N N 77 123.140 123.613 -0.473 1
1 1006 . 7 1 1 A 78 78 PHE H H 78 7.930 8.806 -0.876 1
1 1007 . 7 1 1 A 78 78 PHE HA H 78 4.809 5.107 -0.298 1
1 1015 . 7 1 1 A 78 78 PHE C C 78 174.830 175.581 -0.751 1
1 1016 . 7 1 1 A 78 78 PHE CA C 78 58.140 55.959 2.181 1
1 1017 . 7 1 1 A 78 78 PHE CB C 78 39.603 40.540 -0.937 1
1 1021 . 7 1 1 A 78 78 PHE N N 78 120.120 123.638 -3.518 1
1 1022 . 7 1 1 A 79 79 PHE H H 79 8.038 8.615 -0.577 1
1 1023 . 7 1 1 A 79 79 PHE HA H 79 5.029 5.099 -0.070 1
1 1031 . 7 1 1 A 79 79 PHE C C 79 172.070 175.222 -3.152 1
1 1032 . 7 1 1 A 79 79 PHE CA C 79 55.630 56.497 -0.867 1
1 1033 . 7 1 1 A 79 79 PHE CB C 79 39.003 41.471 -2.468 1
1 1037 . 7 1 1 A 79 79 PHE N N 79 119.040 118.659 0.381 1
1 1038 . 7 1 1 A 80 80 GLY H H 80 7.489 7.344 0.145 1
1 1039 . 7 1 1 A 80 80 GLY HA2 H 80 3.653 4.064 -0.411 1
1 1040 . 7 1 1 A 80 80 GLY HA3 H 80 4.283 4.117 0.166 1
1 1041 . 7 1 1 A 80 80 GLY C C 80 170.830 171.629 -0.799 1
1 1042 . 7 1 1 A 80 80 GLY CA C 80 45.342 45.855 -0.513 1
1 1043 . 7 1 1 A 80 80 GLY N N 80 110.010 108.436 1.574 1
1 1044 . 7 1 1 A 81 81 LYS H H 81 8.186 8.207 -0.021 1
1 1045 . 7 1 1 A 81 81 LYS HA H 81 4.003 4.552 -0.549 1
1 1054 . 7 1 1 A 81 81 LYS C C 81 177.530 176.158 1.372 1
1 1055 . 7 1 1 A 81 81 LYS CA C 81 57.730 55.284 2.446 1
1 1056 . 7 1 1 A 81 81 LYS CB C 81 33.293 33.272 0.021 1
1 1060 . 7 1 1 A 81 81 LYS N N 81 117.260 121.448 -4.188 1
1 1061 . 7 1 1 A 82 82 THR H H 82 8.076 8.773 -0.697 1
1 1062 . 7 1 1 A 82 82 THR HA H 82 4.423 4.949 -0.526 1
1 1067 . 7 1 1 A 82 82 THR CA C 82 59.230 60.188 -0.958 1
1 1068 . 7 1 1 A 82 82 THR CB C 82 68.310 68.770 -0.460 1
1 1070 . 7 1 1 A 82 82 THR N N 82 113.611 117.388 -3.777 1
1 1071 . 7 1 1 A 83 83 PRO HA H 83 4.090 4.303 -0.213 1
1 1078 . 7 1 1 A 83 83 PRO CA C 83 63.743 64.348 -0.605 1
1 1079 . 7 1 1 A 83 83 PRO CB C 83 32.167 31.494 0.673 1
1 1082 . 7 1 1 A 84 84 MET HA H 84 4.220 4.656 -0.436 1
1 1090 . 7 1 1 A 84 84 MET C C 84 175.920 174.569 1.351 1
1 1091 . 7 1 1 A 84 84 MET CA C 84 55.880 54.317 1.563 1
1 1092 . 7 1 1 A 84 84 MET CB C 84 33.070 31.770 1.300 1
1 1095 . 7 1 1 A 85 85 SER H H 85 7.256 7.465 -0.209 1
1 1096 . 7 1 1 A 85 85 SER HA H 85 4.401 4.683 -0.282 1
1 1099 . 7 1 1 A 85 85 SER C C 85 173.380 172.822 0.558 1
1 1100 . 7 1 1 A 85 85 SER CA C 85 58.230 57.210 1.020 1
1 1101 . 7 1 1 A 85 85 SER CB C 85 64.290 65.356 -1.066 1
1 1102 . 7 1 1 A 85 85 SER N N 85 111.370 114.235 -2.865 1
1 1103 . 7 1 1 A 86 86 ASP H H 86 8.517 8.732 -0.215 1
1 1104 . 7 1 1 A 86 86 ASP HA H 86 4.692 4.886 -0.194 1
1 1107 . 7 1 1 A 86 86 ASP C C 86 175.860 176.853 -0.993 1
1 1108 . 7 1 1 A 86 86 ASP CA C 86 54.150 55.393 -1.243 1
1 1109 . 7 1 1 A 86 86 ASP CB C 86 41.360 42.715 -1.355 1
1 1110 . 7 1 1 A 86 86 ASP N N 86 123.320 118.431 4.889 1
1 1111 . 7 1 1 A 87 87 ASP H H 87 8.412 8.282 0.130 1
1 1112 . 7 1 1 A 87 87 ASP HA H 87 4.529 4.605 -0.076 1
1 1115 . 7 1 1 A 87 87 ASP C C 87 175.270 176.640 -1.370 1
1 1116 . 7 1 1 A 87 87 ASP CA C 87 54.870 56.608 -1.738 1
1 1117 . 7 1 1 A 87 87 ASP CB C 87 41.580 42.384 -0.804 1
1 1118 . 7 1 1 A 87 87 ASP N N 87 118.900 117.139 1.761 1
1 1119 . 7 1 1 A 88 88 LYS H H 88 7.869 7.547 0.322 1
1 1120 . 7 1 1 A 88 88 LYS HA H 88 4.372 4.847 -0.475 1
1 1129 . 7 1 1 A 88 88 LYS C C 88 174.870 175.203 -0.333 1
1 1130 . 7 1 1 A 88 88 LYS CA C 88 54.580 54.762 -0.182 1
1 1131 . 7 1 1 A 88 88 LYS CB C 88 34.047 35.693 -1.646 1
1 1135 . 7 1 1 A 88 88 LYS N N 88 118.310 113.097 5.213 1
1 1136 . 7 1 1 A 89 89 ILE H H 89 8.604 8.878 -0.274 1
1 1137 . 7 1 1 A 89 89 ILE HA H 89 3.873 4.240 -0.367 1
1 1147 . 7 1 1 A 89 89 ILE C C 89 174.480 175.374 -0.894 1
1 1148 . 7 1 1 A 89 89 ILE CA C 89 61.890 61.288 0.602 1
1 1149 . 7 1 1 A 89 89 ILE CB C 89 36.398 36.639 -0.241 1
1 1153 . 7 1 1 A 89 89 ILE N N 89 121.510 122.595 -1.085 1
1 1154 . 7 1 1 A 90 90 GLN H H 90 8.015 8.425 -0.410 1
1 1155 . 7 1 1 A 90 90 GLN HA H 90 5.033 4.567 0.466 1
1 1162 . 7 1 1 A 90 90 GLN CA C 90 52.110 53.926 -1.816 1
1 1163 . 7 1 1 A 90 90 GLN CB C 90 32.045 28.199 3.846 1
1 1165 . 7 1 1 A 90 90 GLN N N 90 126.430 126.208 0.222 1
1 1167 . 7 1 1 A 91 91 PRO HA H 91 4.508 4.899 -0.391 1
1 1174 . 7 1 1 A 91 91 PRO C C 91 175.210 177.004 -1.794 1
1 1175 . 7 1 1 A 91 91 PRO CA C 91 61.680 62.645 -0.965 1
1 1176 . 7 1 1 A 91 91 PRO CB C 91 32.854 33.124 -0.270 1
1 1179 . 7 1 1 A 92 92 ALA H H 92 8.014 8.582 -0.568 1
1 1180 . 7 1 1 A 92 92 ALA HA H 92 3.931 4.351 -0.420 1
1 1184 . 7 1 1 A 92 92 ALA CA C 92 55.270 54.090 1.180 1
1 1185 . 7 1 1 A 92 92 ALA CB C 92 18.838 19.033 -0.195 1
1 1186 . 7 1 1 A 92 92 ALA N N 92 121.420 122.322 -0.902 1
1 1187 . 7 1 1 A 93 93 SER H H 93 7.391 7.778 -0.387 1
1 1188 . 7 1 1 A 93 93 SER HA H 93 4.223 4.798 -0.575 1
1 1191 . 7 1 1 A 93 93 SER C C 93 171.670 172.654 -0.984 1
1 1192 . 7 1 1 A 93 93 SER CA C 93 57.240 58.010 -0.770 1
1 1193 . 7 1 1 A 93 93 SER CB C 93 63.620 67.469 -3.849 1
1 1194 . 7 1 1 A 93 93 SER N N 93 105.210 111.744 -6.534 1
1 1195 . 7 1 1 A 94 94 ALA H H 94 8.276 8.489 -0.213 1
1 1196 . 7 1 1 A 94 94 ALA HA H 94 4.113 4.527 -0.414 1
1 1200 . 7 1 1 A 94 94 ALA C C 94 177.150 176.956 0.194 1
1 1201 . 7 1 1 A 94 94 ALA CA C 94 53.810 52.160 1.650 1
1 1202 . 7 1 1 A 94 94 ALA CB C 94 19.219 18.619 0.600 1
1 1203 . 7 1 1 A 94 94 ALA N N 94 117.972 125.253 -7.281 1
1 1204 . 7 1 1 A 95 95 VAL H H 95 7.886 8.322 -0.436 1
1 1205 . 7 1 1 A 95 95 VAL HA H 95 5.037 5.203 -0.166 1
1 1213 . 7 1 1 A 95 95 VAL C C 95 174.060 174.874 -0.814 1
1 1214 . 7 1 1 A 95 95 VAL CA C 95 57.510 60.230 -2.720 1
1 1215 . 7 1 1 A 95 95 VAL CB C 95 35.106 33.946 1.160 1
1 1218 . 7 1 1 A 95 95 VAL N N 95 108.410 118.872 -10.462 1
1 1219 . 7 1 1 A 96 96 ASN H H 96 9.178 9.232 -0.054 1
1 1220 . 7 1 1 A 96 96 ASN HA H 96 4.897 5.666 -0.769 1
1 1225 . 7 1 1 A 96 96 ASN C C 96 176.600 174.878 1.722 1
1 1226 . 7 1 1 A 96 96 ASN CA C 96 50.790 51.508 -0.718 1
1 1227 . 7 1 1 A 96 96 ASN CB C 96 39.637 41.943 -2.306 1
1 1228 . 7 1 1 A 96 96 ASN N N 96 121.250 117.459 3.791 1
1 1230 . 7 1 1 A 97 97 VAL H H 97 8.503 8.930 -0.427 1
1 1231 . 7 1 1 A 97 97 VAL HA H 97 4.421 4.460 -0.039 1
1 1239 . 7 1 1 A 97 97 VAL C C 97 176.450 176.843 -0.393 1
1 1240 . 7 1 1 A 97 97 VAL CA C 97 66.030 62.217 3.813 1
1 1241 . 7 1 1 A 97 97 VAL CB C 97 30.552 31.465 -0.913 1
1 1244 . 7 1 1 A 97 97 VAL N N 97 129.670 122.821 6.849 1
1 1245 . 7 1 1 A 98 98 ILE H H 98 8.129 8.000 0.129 1
1 1246 . 7 1 1 A 98 98 ILE HA H 98 4.628 3.773 0.855 1
1 1256 . 7 1 1 A 98 98 ILE C C 98 174.270 176.102 -1.832 1
1 1257 . 7 1 1 A 98 98 ILE CA C 98 61.240 63.435 -2.195 1
1 1258 . 7 1 1 A 98 98 ILE CB C 98 39.812 37.511 2.301 1
1 1262 . 7 1 1 A 98 98 ILE N N 98 119.500 120.518 -1.018 1
1 1263 . 7 1 1 A 99 99 GLY H H 99 7.668 7.890 -0.222 1
1 1264 . 7 1 1 A 99 99 GLY HA2 H 99 4.435 4.193 0.242 1
1 1265 . 7 1 1 A 99 99 GLY HA3 H 99 4.637 4.196 0.441 1
1 1266 . 7 1 1 A 99 99 GLY C C 99 172.410 172.154 0.256 1
1 1267 . 7 1 1 A 99 99 GLY CA C 99 46.906 44.546 2.360 1
1 1268 . 7 1 1 A 99 99 GLY N N 99 107.230 111.116 -3.886 1
1 1269 . 7 1 1 A 100 100 LYS H H 100 8.347 8.616 -0.269 1
1 1270 . 7 1 1 A 100 100 LYS HA H 100 5.540 5.030 0.510 1
1 1279 . 7 1 1 A 100 100 LYS C C 100 175.740 175.003 0.737 1
1 1280 . 7 1 1 A 100 100 LYS CA C 100 54.150 54.881 -0.731 1
1 1281 . 7 1 1 A 100 100 LYS CB C 100 37.900 36.093 1.807 1
1 1285 . 7 1 1 A 100 100 LYS N N 100 119.730 120.722 -0.992 1
1 1286 . 7 1 1 A 101 101 ILE H H 101 9.542 8.881 0.661 1
1 1287 . 7 1 1 A 101 101 ILE HA H 101 4.184 4.363 -0.179 1
1 1297 . 7 1 1 A 101 101 ILE C C 101 176.010 177.404 -1.394 1
1 1298 . 7 1 1 A 101 101 ILE CA C 101 62.940 61.789 1.151 1
1 1299 . 7 1 1 A 101 101 ILE CB C 101 39.212 37.014 2.198 1
1 1303 . 7 1 1 A 101 101 ILE N N 101 124.050 128.177 -4.127 1
1 1304 . 7 1 1 A 102 102 VAL H H 102 8.728 8.082 0.646 1
1 1305 . 7 1 1 A 102 102 VAL HA H 102 4.591 4.079 0.512 1
1 1313 . 7 1 1 A 102 102 VAL C C 102 175.730 176.413 -0.683 1
1 1314 . 7 1 1 A 102 102 VAL CA C 102 62.030 64.929 -2.899 1
1 1315 . 7 1 1 A 102 102 VAL CB C 102 33.307 31.877 1.430 1
1 1318 . 7 1 1 A 102 102 VAL N N 102 121.420 125.750 -4.330 1
1 1319 . 7 1 1 A 103 103 GLU H H 103 7.912 8.163 -0.251 1
1 1320 . 7 1 1 A 103 103 GLU HA H 103 4.661 4.442 0.219 1
1 1325 . 7 1 1 A 103 103 GLU C C 103 176.520 177.199 -0.679 1
1 1326 . 7 1 1 A 103 103 GLU CA C 103 56.550 55.742 0.808 1
1 1327 . 7 1 1 A 103 103 GLU CB C 103 34.180 31.275 2.905 1
1 1329 . 7 1 1 A 103 103 GLU N N 103 120.750 120.492 0.258 1
1 1330 . 7 1 1 A 104 104 GLY H H 104 8.934 8.870 0.064 1
1 1331 . 7 1 1 A 104 104 GLY HA2 H 104 3.932 4.012 -0.080 1
1 1332 . 7 1 1 A 104 104 GLY HA3 H 104 4.345 4.038 0.307 1
1 1333 . 7 1 1 A 104 104 GLY C C 104 175.230 175.410 -0.180 1
1 1334 . 7 1 1 A 104 104 GLY CA C 104 46.616 46.195 0.421 1
1 1335 . 7 1 1 A 104 104 GLY N N 104 111.140 111.300 -0.160 1
1 1336 . 7 1 1 A 105 105 LEU H H 105 8.158 7.842 0.316 1
1 1337 . 7 1 1 A 105 105 LEU HA H 105 3.702 3.864 -0.162 1
1 1347 . 7 1 1 A 105 105 LEU C C 105 179.250 178.284 0.966 1
1 1348 . 7 1 1 A 105 105 LEU CA C 105 59.400 58.315 1.085 1
1 1349 . 7 1 1 A 105 105 LEU CB C 105 42.743 42.241 0.502 1
1 1353 . 7 1 1 A 105 105 LEU N N 105 121.390 122.252 -0.862 1
1 1354 . 7 1 1 A 106 106 GLU H H 106 8.944 8.230 0.714 1
1 1355 . 7 1 1 A 106 106 GLU HA H 106 3.978 4.157 -0.179 1
1 1360 . 7 1 1 A 106 106 GLU C C 106 178.120 178.545 -0.425 1
1 1361 . 7 1 1 A 106 106 GLU CA C 106 58.720 59.111 -0.391 1
1 1362 . 7 1 1 A 106 106 GLU CB C 106 28.920 29.078 -0.158 1
1 1364 . 7 1 1 A 106 106 GLU N N 106 113.860 117.541 -3.681 1
1 1365 . 7 1 1 A 107 107 ASP H H 107 7.538 7.956 -0.418 1
1 1366 . 7 1 1 A 107 107 ASP HA H 107 4.344 4.356 -0.012 1
1 1369 . 7 1 1 A 107 107 ASP C C 107 178.190 178.280 -0.090 1
1 1370 . 7 1 1 A 107 107 ASP CA C 107 55.780 56.343 -0.563 1
1 1371 . 7 1 1 A 107 107 ASP CB C 107 41.191 40.387 0.804 1
1 1372 . 7 1 1 A 107 107 ASP N N 107 119.620 119.335 0.285 1
1 1373 . 7 1 1 A 108 108 LEU H H 108 7.115 7.566 -0.451 1
1 1374 . 7 1 1 A 108 108 LEU HA H 108 3.357 3.571 -0.214 1
1 1384 . 7 1 1 A 108 108 LEU C C 108 177.920 178.424 -0.504 1
1 1385 . 7 1 1 A 108 108 LEU CA C 108 57.000 56.816 0.184 1
1 1386 . 7 1 1 A 108 108 LEU CB C 108 38.445 40.105 -1.660 1
1 1390 . 7 1 1 A 108 108 LEU N N 108 117.551 119.131 -1.580 1
1 1391 . 7 1 1 A 109 109 LYS H H 109 7.179 7.317 -0.138 1
1 1392 . 7 1 1 A 109 109 LYS HA H 109 3.879 4.092 -0.213 1
1 1401 . 7 1 1 A 109 109 LYS C C 109 176.650 178.008 -1.358 1
1 1402 . 7 1 1 A 109 109 LYS CA C 109 57.792 59.413 -1.621 1
1 1403 . 7 1 1 A 109 109 LYS CB C 109 32.184 32.283 -0.099 1
1 1407 . 7 1 1 A 109 109 LYS N N 109 115.080 118.180 -3.100 1
1 1408 . 7 1 1 A 110 110 LYS H H 110 7.364 7.781 -0.417 1
1 1409 . 7 1 1 A 110 110 LYS HA H 110 4.016 4.412 -0.396 1
1 1418 . 7 1 1 A 110 110 LYS C C 110 175.890 175.469 0.421 1
1 1419 . 7 1 1 A 110 110 LYS CA C 110 56.550 56.114 0.436 1
1 1420 . 7 1 1 A 110 110 LYS CB C 110 32.972 32.519 0.453 1
1 1424 . 7 1 1 A 110 110 LYS N N 110 116.720 114.199 2.521 1
1 1425 . 7 1 1 A 111 111 ILE H H 111 6.626 7.479 -0.853 1
1 1426 . 7 1 1 A 111 111 ILE HA H 111 3.531 4.207 -0.676 1
1 1436 . 7 1 1 A 111 111 ILE C C 111 176.180 175.376 0.804 1
1 1437 . 7 1 1 A 111 111 ILE CA C 111 59.950 60.320 -0.370 1
1 1438 . 7 1 1 A 111 111 ILE CB C 111 34.946 39.791 -4.845 1
1 1442 . 7 1 1 A 111 111 ILE N N 111 117.000 121.237 -4.237 1
1 1443 . 7 1 1 A 112 112 LYS H H 112 8.388 8.799 -0.411 1
1 1444 . 7 1 1 A 112 112 LYS HA H 112 4.356 4.535 -0.179 1
1 1453 . 7 1 1 A 112 112 LYS C C 112 175.750 177.593 -1.843 1
1 1454 . 7 1 1 A 112 112 LYS CA C 112 54.430 55.059 -0.629 1
1 1455 . 7 1 1 A 112 112 LYS CB C 112 33.936 33.763 0.173 1
1 1459 . 7 1 1 A 112 112 LYS N N 112 128.240 124.184 4.056 1
1 1460 . 7 1 1 A 113 113 ASP H H 113 8.103 8.972 -0.869 1
1 1461 . 7 1 1 A 113 113 ASP HA H 113 4.026 4.839 -0.813 1
1 1464 . 7 1 1 A 113 113 ASP C C 113 177.630 177.009 0.621 1
1 1465 . 7 1 1 A 113 113 ASP CA C 113 56.660 54.198 2.462 1
1 1466 . 7 1 1 A 113 113 ASP CB C 113 42.033 40.694 1.339 1
1 1467 . 7 1 1 A 113 113 ASP N N 113 119.040 121.922 -2.882 1
1 1468 . 7 1 1 A 114 114 GLY H H 114 8.635 7.488 1.147 1
1 1469 . 7 1 1 A 114 114 GLY HA2 H 114 3.547 4.124 -0.577 1
1 1470 . 7 1 1 A 114 114 GLY HA3 H 114 4.229 4.127 0.102 1
1 1471 . 7 1 1 A 114 114 GLY C C 114 174.640 174.366 0.274 1
1 1472 . 7 1 1 A 114 114 GLY CA C 114 45.403 45.725 -0.322 1
1 1473 . 7 1 1 A 114 114 GLY N N 114 113.170 106.540 6.630 1
1 1474 . 7 1 1 A 115 115 GLU H H 115 7.346 8.160 -0.814 1
1 1475 . 7 1 1 A 115 115 GLU HA H 115 4.113 4.447 -0.334 1
1 1480 . 7 1 1 A 115 115 GLU C C 115 175.840 175.236 0.604 1
1 1481 . 7 1 1 A 115 115 GLU CA C 115 58.180 55.993 2.187 1
1 1482 . 7 1 1 A 115 115 GLU CB C 115 30.902 29.567 1.335 1
1 1484 . 7 1 1 A 115 115 GLU N N 115 119.440 119.377 0.063 1
1 1485 . 7 1 1 A 116 116 LYS H H 116 9.107 7.938 1.169 1
1 1486 . 7 1 1 A 116 116 LYS HA H 116 4.529 3.955 0.574 1
1 1495 . 7 1 1 A 116 116 LYS C C 116 176.050 175.104 0.946 1
1 1496 . 7 1 1 A 116 116 LYS CA C 116 56.820 57.000 -0.180 1
1 1497 . 7 1 1 A 116 116 LYS CB C 116 33.358 30.808 2.550 1
1 1501 . 7 1 1 A 116 116 LYS N N 116 121.800 115.774 6.026 1
1 1502 . 7 1 1 A 117 117 VAL H H 117 7.860 7.654 0.206 1
1 1503 . 7 1 1 A 117 117 VAL HA H 117 4.668 4.105 0.563 1
1 1511 . 7 1 1 A 117 117 VAL C C 117 171.630 174.342 -2.712 1
1 1512 . 7 1 1 A 117 117 VAL CA C 117 57.440 62.027 -4.587 1
1 1513 . 7 1 1 A 117 117 VAL CB C 117 34.614 31.313 3.301 1
1 1516 . 7 1 1 A 117 117 VAL N N 117 118.940 117.935 1.005 1
1 1517 . 7 1 1 A 118 118 ALA H H 118 8.310 8.441 -0.131 1
1 1518 . 7 1 1 A 118 118 ALA HA H 118 4.506 4.262 0.244 1
1 1522 . 7 1 1 A 118 118 ALA C C 118 174.660 176.027 -1.367 1
1 1523 . 7 1 1 A 118 118 ALA CA C 118 50.370 50.836 -0.466 1
1 1524 . 7 1 1 A 118 118 ALA CB C 118 20.250 18.603 1.647 1
1 1525 . 7 1 1 A 118 118 ALA N N 118 130.190 131.867 -1.677 1
1 1526 . 7 1 1 A 119 119 VAL H H 119 8.295 8.005 0.290 1
1 1527 . 7 1 1 A 119 119 VAL HA H 119 4.096 3.841 0.255 1
1 1535 . 7 1 1 A 119 119 VAL C C 119 175.320 175.718 -0.398 1
1 1536 . 7 1 1 A 119 119 VAL CA C 119 61.570 62.320 -0.750 1
1 1537 . 7 1 1 A 119 119 VAL CB C 119 31.445 31.145 0.300 1
1 1540 . 7 1 1 A 119 119 VAL N N 119 123.160 122.740 0.420 1
1 1541 . 7 1 1 A 120 120 ARG H H 120 8.596 9.013 -0.417 1
1 1542 . 7 1 1 A 120 120 ARG HA H 120 4.534 4.651 -0.117 1
1 1550 . 7 1 1 A 120 120 ARG C C 120 175.260 175.833 -0.573 1
1 1551 . 7 1 1 A 120 120 ARG CA C 120 53.740 53.671 0.069 1
1 1552 . 7 1 1 A 120 120 ARG CB C 120 34.359 33.649 0.710 1
1 1555 . 7 1 1 A 120 120 ARG N N 120 123.692 126.713 -3.021 1
1 1557 . 7 1 1 A 121 121 PHE H H 121 8.585 8.609 -0.024 1
1 1558 . 7 1 1 A 121 121 PHE HA H 121 4.591 4.584 0.007 1
1 1566 . 7 1 1 A 121 121 PHE C C 121 176.430 174.993 1.437 1
1 1567 . 7 1 1 A 121 121 PHE CA C 121 60.370 57.488 2.882 1
1 1568 . 7 1 1 A 121 121 PHE CB C 121 38.713 39.405 -0.692 1
1 1572 . 7 1 1 A 121 121 PHE N N 121 120.110 120.092 0.018 1
1 1573 . 7 1 1 A 122 122 ALA H H 122 7.896 8.059 -0.163 1
1 1574 . 7 1 1 A 122 122 ALA HA H 122 4.304 4.016 0.288 1
1 1578 . 7 1 1 A 122 122 ALA C C 122 177.430 177.476 -0.046 1
1 1579 . 7 1 1 A 122 122 ALA CA C 122 52.050 52.890 -0.840 1
1 1580 . 7 1 1 A 122 122 ALA CB C 122 19.865 17.559 2.306 1
1 1581 . 7 1 1 A 122 122 ALA N N 122 123.820 121.765 2.055 1
1 1582 . 7 1 1 A 123 123 SER H H 123 8.675 8.114 0.561 1
1 1583 . 7 1 1 A 123 123 SER HA H 123 4.372 4.710 -0.338 1
1 1586 . 7 1 1 A 123 123 SER C C 123 173.630 174.529 -0.899 1
1 1587 . 7 1 1 A 123 123 SER CA C 123 58.750 58.146 0.604 1
1 1588 . 7 1 1 A 123 123 SER CB C 123 63.870 63.100 0.770 1
1 1589 . 7 1 1 A 123 123 SER N N 123 117.330 112.454 4.876 1
1 14 . 8 1 1 A 2 2 ARG H H 2 9.247 8.713 0.534 1
1 15 . 8 1 1 A 2 2 ARG HA H 2 5.249 4.525 0.724 1
1 23 . 8 1 1 A 2 2 ARG C C 2 176.020 175.827 0.193 1
1 24 . 8 1 1 A 2 2 ARG CA C 2 56.360 56.940 -0.580 1
1 25 . 8 1 1 A 2 2 ARG CB C 2 31.953 31.306 0.647 1
1 28 . 8 1 1 A 2 2 ARG N N 2 129.420 124.091 5.329 1
1 30 . 8 1 1 A 3 3 VAL H H 3 9.361 8.473 0.888 1
1 31 . 8 1 1 A 3 3 VAL HA H 3 4.464 4.911 -0.447 1
1 39 . 8 1 1 A 3 3 VAL C C 3 173.160 173.985 -0.825 1
1 40 . 8 1 1 A 3 3 VAL CA C 3 61.330 60.739 0.591 1
1 41 . 8 1 1 A 3 3 VAL CB C 3 36.251 35.687 0.564 1
1 44 . 8 1 1 A 3 3 VAL N N 3 126.750 121.066 5.684 1
1 45 . 8 1 1 A 4 4 GLU H H 4 9.294 9.477 -0.183 1
1 46 . 8 1 1 A 4 4 GLU HA H 4 4.807 5.206 -0.399 1
1 51 . 8 1 1 A 4 4 GLU C C 4 173.020 175.046 -2.026 1
1 52 . 8 1 1 A 4 4 GLU CA C 4 54.890 54.461 0.429 1
1 53 . 8 1 1 A 4 4 GLU CB C 4 33.146 32.737 0.409 1
1 55 . 8 1 1 A 4 4 GLU N N 4 128.550 128.371 0.179 1
1 56 . 8 1 1 A 5 5 LEU H H 5 8.685 8.813 -0.128 1
1 57 . 8 1 1 A 5 5 LEU HA H 5 4.547 4.515 0.032 1
1 67 . 8 1 1 A 5 5 LEU C C 5 173.750 175.110 -1.360 1
1 68 . 8 1 1 A 5 5 LEU CA C 5 52.450 53.337 -0.887 1
1 69 . 8 1 1 A 5 5 LEU CB C 5 41.998 42.086 -0.088 1
1 73 . 8 1 1 A 5 5 LEU N N 5 124.490 128.403 -3.913 1
1 74 . 8 1 1 A 6 6 LEU H H 6 8.608 8.806 -0.198 1
1 75 . 8 1 1 A 6 6 LEU HA H 6 4.502 4.757 -0.255 1
1 85 . 8 1 1 A 6 6 LEU C C 6 176.550 175.733 0.817 1
1 86 . 8 1 1 A 6 6 LEU CA C 6 53.790 53.848 -0.058 1
1 87 . 8 1 1 A 6 6 LEU CB C 6 42.240 42.807 -0.567 1
1 91 . 8 1 1 A 6 6 LEU N N 6 123.330 125.463 -2.133 1
1 92 . 8 1 1 A 7 7 PHE H H 7 8.344 9.295 -0.951 1
1 93 . 8 1 1 A 7 7 PHE HA H 7 5.378 4.871 0.507 1
1 101 . 8 1 1 A 7 7 PHE C C 7 175.050 176.314 -1.264 1
1 102 . 8 1 1 A 7 7 PHE CA C 7 55.830 56.969 -1.139 1
1 103 . 8 1 1 A 7 7 PHE CB C 7 39.383 41.813 -2.430 1
1 108 . 8 1 1 A 7 7 PHE N N 7 125.190 123.484 1.706 1
1 109 . 8 1 1 A 8 8 GLU H H 8 8.226 9.012 -0.786 1
1 110 . 8 1 1 A 8 8 GLU HA H 8 4.266 4.244 0.022 1
1 115 . 8 1 1 A 8 8 GLU C C 8 180.740 176.868 3.872 1
1 116 . 8 1 1 A 8 8 GLU CA C 8 59.530 58.801 0.729 1
1 117 . 8 1 1 A 8 8 GLU CB C 8 29.723 29.493 0.230 1
1 119 . 8 1 1 A 8 8 GLU N N 8 120.100 122.382 -2.282 1
1 120 . 8 1 1 A 9 9 SER H H 9 9.069 8.097 0.972 1
1 121 . 8 1 1 A 9 9 SER HA H 9 4.467 4.587 -0.120 1
1 124 . 8 1 1 A 9 9 SER C C 9 173.740 173.538 0.202 1
1 125 . 8 1 1 A 9 9 SER CA C 9 58.600 58.477 0.123 1
1 126 . 8 1 1 A 9 9 SER CB C 9 63.120 64.558 -1.438 1
1 127 . 8 1 1 A 9 9 SER N N 9 112.770 113.127 -0.357 1
1 128 . 8 1 1 A 10 10 GLY H H 10 6.925 7.613 -0.688 1
1 129 . 8 1 1 A 10 10 GLY HA2 H 10 3.896 4.101 -0.205 1
1 130 . 8 1 1 A 10 10 GLY HA3 H 10 3.896 4.121 -0.225 1
1 131 . 8 1 1 A 10 10 GLY C C 10 170.040 171.271 -1.231 1
1 132 . 8 1 1 A 10 10 GLY CA C 10 45.466 45.927 -0.461 1
1 133 . 8 1 1 A 10 10 GLY N N 10 105.760 107.940 -2.180 1
1 134 . 8 1 1 A 11 11 LYS H H 11 9.071 8.942 0.129 1
1 135 . 8 1 1 A 11 11 LYS HA H 11 5.484 5.720 -0.236 1
1 144 . 8 1 1 A 11 11 LYS C C 11 174.230 174.429 -0.199 1
1 145 . 8 1 1 A 11 11 LYS CA C 11 55.460 54.766 0.694 1
1 146 . 8 1 1 A 11 11 LYS CB C 11 36.408 36.874 -0.466 1
1 150 . 8 1 1 A 11 11 LYS N N 11 118.960 116.701 2.259 1
1 151 . 8 1 1 A 12 12 CYS H H 12 8.917 9.179 -0.262 1
1 152 . 8 1 1 A 12 12 CYS HA H 12 5.083 5.114 -0.031 1
1 155 . 8 1 1 A 12 12 CYS C C 12 171.760 172.280 -0.520 1
1 156 . 8 1 1 A 12 12 CYS CA C 12 56.770 56.432 0.338 1
1 157 . 8 1 1 A 12 12 CYS CB C 12 31.267 32.352 -1.085 1
1 158 . 8 1 1 A 12 12 CYS N N 12 115.700 118.757 -3.057 1
1 159 . 8 1 1 A 13 13 VAL H H 13 8.474 8.586 -0.112 1
1 160 . 8 1 1 A 13 13 VAL HA H 13 4.992 5.090 -0.098 1
1 168 . 8 1 1 A 13 13 VAL C C 13 175.660 175.454 0.206 1
1 169 . 8 1 1 A 13 13 VAL CA C 13 61.490 60.823 0.667 1
1 170 . 8 1 1 A 13 13 VAL CB C 13 35.125 35.773 -0.648 1
1 173 . 8 1 1 A 13 13 VAL N N 13 120.490 119.501 0.989 1
1 174 . 8 1 1 A 14 14 ILE H H 14 9.378 9.283 0.095 1
1 175 . 8 1 1 A 14 14 ILE HA H 14 5.335 5.471 -0.136 1
1 185 . 8 1 1 A 14 14 ILE C C 14 172.570 173.800 -1.230 1
1 186 . 8 1 1 A 14 14 ILE CA C 14 58.540 58.751 -0.211 1
1 187 . 8 1 1 A 14 14 ILE CB C 14 40.755 42.219 -1.464 1
1 191 . 8 1 1 A 14 14 ILE N N 14 120.140 121.953 -1.813 1
1 192 . 8 1 1 A 15 15 ASP H H 15 9.295 8.751 0.544 1
1 193 . 8 1 1 A 15 15 ASP HA H 15 5.274 5.300 -0.026 1
1 196 . 8 1 1 A 15 15 ASP C C 15 176.510 174.559 1.951 1
1 197 . 8 1 1 A 15 15 ASP CA C 15 53.050 53.473 -0.423 1
1 198 . 8 1 1 A 15 15 ASP CB C 15 44.007 44.750 -0.743 1
1 199 . 8 1 1 A 15 15 ASP N N 15 123.200 121.048 2.152 1
1 200 . 8 1 1 A 16 16 LEU H H 16 8.892 8.934 -0.042 1
1 201 . 8 1 1 A 16 16 LEU HA H 16 4.981 5.073 -0.092 1
1 211 . 8 1 1 A 16 16 LEU C C 16 175.430 176.424 -0.994 1
1 212 . 8 1 1 A 16 16 LEU CA C 16 53.040 53.847 -0.807 1
1 213 . 8 1 1 A 16 16 LEU CB C 16 45.782 44.201 1.581 1
1 217 . 8 1 1 A 16 16 LEU N N 16 123.620 125.323 -1.703 1
1 218 . 8 1 1 A 17 17 ASN H H 17 8.694 8.546 0.148 1
1 219 . 8 1 1 A 17 17 ASN HA H 17 4.632 4.684 -0.052 1
1 224 . 8 1 1 A 17 17 ASN C C 17 175.500 177.001 -1.501 1
1 225 . 8 1 1 A 17 17 ASN CA C 17 53.310 53.967 -0.657 1
1 226 . 8 1 1 A 17 17 ASN CB C 17 38.508 39.605 -1.097 1
1 227 . 8 1 1 A 17 17 ASN N N 17 121.330 123.547 -2.217 1
1 229 . 8 1 1 A 18 18 GLU H H 18 8.793 9.174 -0.381 1
1 230 . 8 1 1 A 18 18 GLU HA H 18 3.736 4.356 -0.620 1
1 235 . 8 1 1 A 18 18 GLU C C 18 175.250 177.151 -1.901 1
1 236 . 8 1 1 A 18 18 GLU CA C 18 58.330 57.392 0.938 1
1 237 . 8 1 1 A 18 18 GLU CB C 18 29.947 29.767 0.180 1
1 239 . 8 1 1 A 18 18 GLU N N 18 124.750 126.260 -1.510 1
1 240 . 8 1 1 A 19 19 GLU H H 19 8.187 7.405 0.782 1
1 241 . 8 1 1 A 19 19 GLU HA H 19 3.885 4.401 -0.516 1
1 246 . 8 1 1 A 19 19 GLU C C 19 177.350 174.458 2.892 1
1 247 . 8 1 1 A 19 19 GLU CA C 19 57.730 56.053 1.677 1
1 248 . 8 1 1 A 19 19 GLU CB C 19 29.744 30.403 -0.659 1
1 250 . 8 1 1 A 19 19 GLU N N 19 117.280 117.393 -0.113 1
1 251 . 8 1 1 A 20 20 TYR H H 20 7.135 7.645 -0.510 1
1 252 . 8 1 1 A 20 20 TYR HA H 20 4.668 4.919 -0.251 1
1 259 . 8 1 1 A 20 20 TYR CA C 20 56.050 56.365 -0.315 1
1 260 . 8 1 1 A 20 20 TYR CB C 20 38.464 41.028 -2.564 1
1 263 . 8 1 1 A 20 20 TYR N N 20 117.730 120.086 -2.356 1
1 264 . 8 1 1 A 21 21 GLU H H 21 10.044 8.917 1.127 1
1 265 . 8 1 1 A 21 21 GLU HA H 21 3.807 3.920 -0.113 1
1 270 . 8 1 1 A 21 21 GLU C C 21 179.150 177.955 1.195 1
1 271 . 8 1 1 A 21 21 GLU CA C 21 60.640 60.193 0.447 1
1 272 . 8 1 1 A 21 21 GLU CB C 21 29.167 29.685 -0.518 1
1 274 . 8 1 1 A 21 21 GLU N N 21 129.480 125.385 4.095 1
1 275 . 8 1 1 A 22 22 VAL H H 22 9.539 8.093 1.446 1
1 276 . 8 1 1 A 22 22 VAL HA H 22 3.574 3.767 -0.193 1
1 284 . 8 1 1 A 22 22 VAL C C 22 175.490 177.291 -1.801 1
1 285 . 8 1 1 A 22 22 VAL CA C 22 64.470 64.982 -0.512 1
1 286 . 8 1 1 A 22 22 VAL CB C 22 30.858 30.973 -0.115 1
1 289 . 8 1 1 A 22 22 VAL N N 22 115.360 119.209 -3.849 1
1 290 . 8 1 1 A 23 23 VAL H H 23 6.843 7.988 -1.145 1
1 291 . 8 1 1 A 23 23 VAL HA H 23 3.387 3.589 -0.202 1
1 299 . 8 1 1 A 23 23 VAL C C 23 176.900 178.086 -1.186 1
1 300 . 8 1 1 A 23 23 VAL CA C 23 67.030 66.941 0.089 1
1 301 . 8 1 1 A 23 23 VAL CB C 23 31.499 31.652 -0.153 1
1 304 . 8 1 1 A 23 23 VAL N N 23 121.150 121.209 -0.059 1
1 305 . 8 1 1 A 24 24 LYS H H 24 7.533 7.656 -0.123 1
1 306 . 8 1 1 A 24 24 LYS HA H 24 3.851 4.013 -0.162 1
1 315 . 8 1 1 A 24 24 LYS C C 24 179.820 179.498 0.322 1
1 316 . 8 1 1 A 24 24 LYS CA C 24 60.480 60.048 0.432 1
1 317 . 8 1 1 A 24 24 LYS CB C 24 32.626 32.602 0.024 1
1 321 . 8 1 1 A 24 24 LYS N N 24 120.120 119.059 1.061 1
1 322 . 8 1 1 A 25 25 LEU H H 25 7.870 8.291 -0.421 1
1 323 . 8 1 1 A 25 25 LEU HA H 25 4.097 4.082 0.015 1
1 333 . 8 1 1 A 25 25 LEU C C 25 180.620 179.406 1.214 1
1 334 . 8 1 1 A 25 25 LEU CA C 25 57.440 57.830 -0.390 1
1 335 . 8 1 1 A 25 25 LEU CB C 25 41.717 41.509 0.208 1
1 339 . 8 1 1 A 25 25 LEU N N 25 117.260 120.326 -3.066 1
1 340 . 8 1 1 A 26 26 LEU H H 26 8.489 8.424 0.065 1
1 341 . 8 1 1 A 26 26 LEU HA H 26 3.703 3.900 -0.197 1
1 351 . 8 1 1 A 26 26 LEU C C 26 178.820 179.144 -0.324 1
1 352 . 8 1 1 A 26 26 LEU CA C 26 58.310 57.322 0.988 1
1 353 . 8 1 1 A 26 26 LEU CB C 26 42.487 41.428 1.059 1
1 357 . 8 1 1 A 26 26 LEU N N 26 121.760 118.661 3.099 1
1 358 . 8 1 1 A 27 27 LYS H H 27 8.190 7.997 0.193 1
1 359 . 8 1 1 A 27 27 LYS HA H 27 3.799 4.238 -0.439 1
1 368 . 8 1 1 A 27 27 LYS C C 27 177.470 178.936 -1.466 1
1 369 . 8 1 1 A 27 27 LYS CA C 27 60.480 59.365 1.115 1
1 370 . 8 1 1 A 27 27 LYS CB C 27 33.472 32.149 1.323 1
1 374 . 8 1 1 A 27 27 LYS N N 27 117.650 121.103 -3.453 1
1 375 . 8 1 1 A 28 28 GLU H H 28 6.841 8.015 -1.174 1
1 376 . 8 1 1 A 28 28 GLU HA H 28 4.238 4.249 -0.011 1
1 381 . 8 1 1 A 28 28 GLU C C 28 177.280 177.603 -0.323 1
1 382 . 8 1 1 A 28 28 GLU CA C 28 57.370 58.619 -1.249 1
1 383 . 8 1 1 A 28 28 GLU CB C 28 30.480 29.542 0.938 1
1 385 . 8 1 1 A 28 28 GLU N N 28 111.940 118.005 -6.065 1
1 386 . 8 1 1 A 29 29 LYS H H 29 7.577 8.079 -0.502 1
1 387 . 8 1 1 A 29 29 LYS HA H 29 4.414 4.569 -0.155 1
1 396 . 8 1 1 A 29 29 LYS C C 29 175.230 175.008 0.222 1
1 397 . 8 1 1 A 29 29 LYS CA C 29 53.800 54.967 -1.167 1
1 398 . 8 1 1 A 29 29 LYS CB C 29 33.530 32.876 0.654 1
1 402 . 8 1 1 A 29 29 LYS N N 29 115.460 117.688 -2.228 1
1 403 . 8 1 1 A 30 30 ILE H H 30 6.921 7.601 -0.680 1
1 404 . 8 1 1 A 30 30 ILE HA H 30 3.939 4.645 -0.706 1
1 414 . 8 1 1 A 30 30 ILE CA C 30 60.290 57.280 3.010 1
1 415 . 8 1 1 A 30 30 ILE CB C 30 39.967 40.925 -0.958 1
1 419 . 8 1 1 A 30 30 ILE N N 30 122.100 120.892 1.208 1
1 420 . 8 1 1 A 31 31 PRO HA H 31 4.840 4.733 0.107 1
1 427 . 8 1 1 A 31 31 PRO C C 31 175.340 176.280 -0.940 1
1 428 . 8 1 1 A 31 31 PRO CA C 31 62.720 62.499 0.221 1
1 429 . 8 1 1 A 31 31 PRO CB C 31 36.350 33.289 3.061 1
1 432 . 8 1 1 A 32 32 PHE H H 32 7.627 8.646 -1.019 1
1 433 . 8 1 1 A 32 32 PHE HA H 32 4.959 5.024 -0.065 1
1 441 . 8 1 1 A 32 32 PHE C C 32 171.870 172.319 -0.449 1
1 442 . 8 1 1 A 32 32 PHE CA C 32 56.300 56.269 0.031 1
1 443 . 8 1 1 A 32 32 PHE CB C 32 40.253 41.164 -0.911 1
1 447 . 8 1 1 A 32 32 PHE N N 32 112.880 117.013 -4.133 1
1 448 . 8 1 1 A 33 33 GLU H H 33 8.728 8.710 0.018 1
1 449 . 8 1 1 A 33 33 GLU HA H 33 5.309 5.320 -0.011 1
1 454 . 8 1 1 A 33 33 GLU C C 33 175.630 175.355 0.275 1
1 455 . 8 1 1 A 33 33 GLU CA C 33 54.450 54.684 -0.234 1
1 456 . 8 1 1 A 33 33 GLU CB C 33 33.814 33.135 0.679 1
1 458 . 8 1 1 A 33 33 GLU N N 33 118.710 119.365 -0.655 1
1 459 . 8 1 1 A 34 34 SER H H 34 8.964 8.799 0.165 1
1 460 . 8 1 1 A 34 34 SER HA H 34 4.803 4.948 -0.145 1
1 463 . 8 1 1 A 34 34 SER C C 34 174.560 172.325 2.235 1
1 464 . 8 1 1 A 34 34 SER CA C 34 55.830 56.025 -0.195 1
1 465 . 8 1 1 A 34 34 SER CB C 34 64.270 64.743 -0.473 1
1 466 . 8 1 1 A 34 34 SER N N 34 115.150 115.970 -0.820 1
1 467 . 8 1 1 A 35 35 VAL H H 35 8.322 8.547 -0.225 1
1 468 . 8 1 1 A 35 35 VAL HA H 35 4.724 4.724 0.000 1
1 476 . 8 1 1 A 35 35 VAL C C 35 174.950 175.202 -0.252 1
1 477 . 8 1 1 A 35 35 VAL CA C 35 61.350 60.640 0.710 1
1 478 . 8 1 1 A 35 35 VAL CB C 35 35.676 34.587 1.089 1
1 481 . 8 1 1 A 35 35 VAL N N 35 121.700 121.597 0.103 1
1 482 . 8 1 1 A 36 36 VAL H H 36 9.200 8.795 0.405 1
1 483 . 8 1 1 A 36 36 VAL HA H 36 3.999 4.334 -0.335 1
1 491 . 8 1 1 A 36 36 VAL C C 36 175.490 175.300 0.190 1
1 492 . 8 1 1 A 36 36 VAL CA C 36 63.900 62.439 1.461 1
1 493 . 8 1 1 A 36 36 VAL CB C 36 33.593 30.242 3.351 1
1 496 . 8 1 1 A 36 36 VAL N N 36 123.870 128.310 -4.440 1
1 497 . 8 1 1 A 37 37 ASN H H 37 8.739 8.193 0.546 1
1 498 . 8 1 1 A 37 37 ASN HA H 37 5.276 4.696 0.580 1
1 503 . 8 1 1 A 37 37 ASN C C 37 174.040 175.481 -1.441 1
1 504 . 8 1 1 A 37 37 ASN CA C 37 51.960 53.728 -1.768 1
1 505 . 8 1 1 A 37 37 ASN CB C 37 41.996 38.175 3.821 1
1 506 . 8 1 1 A 37 37 ASN N N 37 123.895 124.607 -0.712 1
1 508 . 8 1 1 A 38 38 THR H H 38 8.703 8.942 -0.239 1
1 509 . 8 1 1 A 38 38 THR HA H 38 5.323 5.588 -0.265 1
1 514 . 8 1 1 A 38 38 THR C C 38 174.910 173.668 1.242 1
1 515 . 8 1 1 A 38 38 THR CA C 38 59.740 59.556 0.184 1
1 516 . 8 1 1 A 38 38 THR CB C 38 71.332 72.134 -0.802 1
1 518 . 8 1 1 A 38 38 THR N N 38 111.440 112.513 -1.073 1
1 519 . 8 1 1 A 39 39 TRP H H 39 8.489 9.130 -0.641 1
1 520 . 8 1 1 A 39 39 TRP HA H 39 4.838 4.883 -0.045 1
1 529 . 8 1 1 A 39 39 TRP C C 39 175.270 175.920 -0.650 1
1 530 . 8 1 1 A 39 39 TRP CA C 39 57.040 56.590 0.450 1
1 531 . 8 1 1 A 39 39 TRP CB C 39 29.089 30.409 -1.320 1
1 537 . 8 1 1 A 39 39 TRP N N 39 125.321 124.668 0.653 1
1 539 . 8 1 1 A 40 40 GLY H H 40 8.596 8.558 0.038 1
1 540 . 8 1 1 A 40 40 GLY HA2 H 40 3.528 3.587 -0.059 1
1 541 . 8 1 1 A 40 40 GLY HA3 H 40 3.465 3.738 -0.273 1
1 542 . 8 1 1 A 40 40 GLY CA C 40 47.619 46.730 0.889 1
1 543 . 8 1 1 A 40 40 GLY N N 40 113.220 113.054 0.166 1
1 544 . 8 1 1 A 41 41 GLU H H 41 7.870 8.425 -0.555 1
1 545 . 8 1 1 A 41 41 GLU HA H 41 3.717 3.244 0.473 1
1 550 . 8 1 1 A 41 41 GLU C C 41 171.810 174.044 -2.234 1
1 551 . 8 1 1 A 41 41 GLU CA C 41 55.390 57.641 -2.251 1
1 552 . 8 1 1 A 41 41 GLU CB C 41 26.025 27.244 -1.219 1
1 554 . 8 1 1 A 41 41 GLU N N 41 128.227 110.384 17.843 1
1 555 . 8 1 1 A 42 42 GLU H H 42 7.158 7.745 -0.587 1
1 556 . 8 1 1 A 42 42 GLU HA H 42 4.811 5.350 -0.539 1
1 561 . 8 1 1 A 42 42 GLU C C 42 175.680 175.027 0.653 1
1 562 . 8 1 1 A 42 42 GLU CA C 42 53.860 55.235 -1.375 1
1 563 . 8 1 1 A 42 42 GLU CB C 42 31.149 33.230 -2.081 1
1 565 . 8 1 1 A 42 42 GLU N N 42 116.880 118.447 -1.567 1
1 566 . 8 1 1 A 43 43 ILE H H 43 8.226 8.875 -0.649 1
1 567 . 8 1 1 A 43 43 ILE HA H 43 4.934 5.303 -0.369 1
1 577 . 8 1 1 A 43 43 ILE C C 43 174.420 174.342 0.078 1
1 578 . 8 1 1 A 43 43 ILE CA C 43 59.250 60.047 -0.797 1
1 579 . 8 1 1 A 43 43 ILE CB C 43 43.278 40.541 2.737 1
1 583 . 8 1 1 A 43 43 ILE N N 43 125.120 125.905 -0.785 1
1 584 . 8 1 1 A 44 44 TYR H H 44 9.318 9.061 0.257 1
1 585 . 8 1 1 A 44 44 TYR HA H 44 6.008 5.531 0.477 1
1 592 . 8 1 1 A 44 44 TYR C C 44 174.150 173.107 1.043 1
1 593 . 8 1 1 A 44 44 TYR CA C 44 55.740 56.006 -0.266 1
1 594 . 8 1 1 A 44 44 TYR CB C 44 42.606 42.115 0.491 1
1 597 . 8 1 1 A 44 44 TYR N N 44 124.370 122.646 1.724 1
1 598 . 8 1 1 A 45 45 PHE H H 45 8.211 8.783 -0.572 1
1 599 . 8 1 1 A 45 45 PHE HA H 45 5.088 5.465 -0.377 1
1 607 . 8 1 1 A 45 45 PHE C C 45 173.730 172.692 1.038 1
1 608 . 8 1 1 A 45 45 PHE CA C 45 55.140 55.427 -0.287 1
1 609 . 8 1 1 A 45 45 PHE CB C 45 40.793 42.321 -1.528 1
1 613 . 8 1 1 A 45 45 PHE N N 45 114.110 117.155 -3.045 1
1 614 . 8 1 1 A 46 46 SER H H 46 9.523 8.487 1.036 1
1 615 . 8 1 1 A 46 46 SER HA H 46 4.316 4.782 -0.466 1
1 618 . 8 1 1 A 46 46 SER C C 46 174.360 174.124 0.236 1
1 619 . 8 1 1 A 46 46 SER CA C 46 59.960 57.287 2.673 1
1 620 . 8 1 1 A 46 46 SER CB C 46 63.980 63.573 0.407 1
1 621 . 8 1 1 A 46 46 SER N N 46 117.150 116.744 0.406 1
1 622 . 8 1 1 A 47 47 THR H H 47 8.225 8.333 -0.108 1
1 623 . 8 1 1 A 47 47 THR HA H 47 4.971 4.827 0.144 1
1 628 . 8 1 1 A 47 47 THR CA C 47 59.160 60.522 -1.362 1
1 629 . 8 1 1 A 47 47 THR CB C 47 70.385 68.895 1.490 1
1 631 . 8 1 1 A 47 47 THR N N 47 113.910 118.887 -4.977 1
1 632 . 8 1 1 A 48 48 PRO HA H 48 4.585 4.373 0.212 1
1 639 . 8 1 1 A 48 48 PRO C C 48 175.940 176.455 -0.515 1
1 640 . 8 1 1 A 48 48 PRO CA C 48 62.410 64.469 -2.059 1
1 641 . 8 1 1 A 48 48 PRO CB C 48 31.770 31.886 -0.116 1
1 644 . 8 1 1 A 49 49 VAL H H 49 7.458 7.435 0.023 1
1 645 . 8 1 1 A 49 49 VAL HA H 49 4.178 4.026 0.152 1
1 653 . 8 1 1 A 49 49 VAL C C 49 174.070 175.130 -1.060 1
1 654 . 8 1 1 A 49 49 VAL CA C 49 60.840 62.148 -1.308 1
1 655 . 8 1 1 A 49 49 VAL CB C 49 34.134 32.474 1.660 1
1 658 . 8 1 1 A 49 49 VAL N N 49 114.800 117.647 -2.847 1
1 659 . 8 1 1 A 50 50 ASN H H 50 8.897 8.669 0.228 1
1 660 . 8 1 1 A 50 50 ASN HA H 50 4.684 5.940 -1.256 1
1 665 . 8 1 1 A 50 50 ASN C C 50 173.550 174.115 -0.565 1
1 666 . 8 1 1 A 50 50 ASN CA C 50 51.610 52.007 -0.397 1
1 667 . 8 1 1 A 50 50 ASN CB C 50 39.730 41.855 -2.125 1
1 668 . 8 1 1 A 50 50 ASN N N 50 126.400 125.480 0.920 1
1 670 . 8 1 1 A 51 51 VAL H H 51 7.587 9.078 -1.491 1
1 671 . 8 1 1 A 51 51 VAL HA H 51 4.148 4.694 -0.546 1
1 679 . 8 1 1 A 51 51 VAL C C 51 174.350 175.152 -0.802 1
1 680 . 8 1 1 A 51 51 VAL CA C 51 61.280 60.319 0.961 1
1 681 . 8 1 1 A 51 51 VAL CB C 51 35.206 35.660 -0.454 1
1 684 . 8 1 1 A 51 51 VAL N N 51 122.670 123.466 -0.796 1
1 685 . 8 1 1 A 52 52 GLN H H 52 8.337 8.982 -0.645 1
1 686 . 8 1 1 A 52 52 GLN HA H 52 4.094 4.674 -0.580 1
1 693 . 8 1 1 A 52 52 GLN C C 52 176.240 174.268 1.972 1
1 694 . 8 1 1 A 52 52 GLN CA C 52 56.560 55.252 1.308 1
1 695 . 8 1 1 A 52 52 GLN CB C 52 29.745 29.319 0.426 1
1 697 . 8 1 1 A 52 52 GLN N N 52 122.670 125.950 -3.280 1
1 699 . 8 1 1 A 53 53 LYS H H 53 7.363 7.344 0.019 1
1 700 . 8 1 1 A 53 53 LYS HA H 53 3.994 5.044 -1.050 1
1 709 . 8 1 1 A 53 53 LYS C C 53 176.010 175.147 0.863 1
1 710 . 8 1 1 A 53 53 LYS CA C 53 56.960 54.866 2.094 1
1 711 . 8 1 1 A 53 53 LYS CB C 53 33.000 35.205 -2.205 1
1 715 . 8 1 1 A 53 53 LYS N N 53 119.940 121.207 -1.267 1
1 716 . 8 1 1 A 54 54 MET H H 54 8.797 8.829 -0.032 1
1 717 . 8 1 1 A 54 54 MET HA H 54 4.449 4.966 -0.517 1
1 725 . 8 1 1 A 54 54 MET C C 54 174.630 175.697 -1.067 1
1 726 . 8 1 1 A 54 54 MET CA C 54 54.530 53.604 0.926 1
1 727 . 8 1 1 A 54 54 MET CB C 54 36.912 35.405 1.507 1
1 730 . 8 1 1 A 54 54 MET N N 54 124.720 124.510 0.210 1
1 731 . 8 1 1 A 55 55 GLU H H 55 9.773 9.067 0.706 1
1 732 . 8 1 1 A 55 55 GLU HA H 55 4.029 4.704 -0.675 1
1 737 . 8 1 1 A 55 55 GLU C C 55 176.930 176.688 0.242 1
1 738 . 8 1 1 A 55 55 GLU CA C 55 59.910 56.973 2.937 1
1 739 . 8 1 1 A 55 55 GLU CB C 55 29.611 32.315 -2.704 1
1 741 . 8 1 1 A 55 55 GLU N N 55 124.250 118.487 5.763 1
1 742 . 8 1 1 A 56 56 ASN H H 56 8.371 7.773 0.598 1
1 743 . 8 1 1 A 56 56 ASN HA H 56 5.163 5.123 0.040 1
1 748 . 8 1 1 A 56 56 ASN CA C 56 50.680 50.377 0.303 1
1 749 . 8 1 1 A 56 56 ASN CB C 56 39.563 38.832 0.731 1
1 750 . 8 1 1 A 56 56 ASN N N 56 115.600 117.614 -2.014 1
1 752 . 8 1 1 A 57 57 PRO HA H 57 4.854 4.831 0.023 1
1 759 . 8 1 1 A 57 57 PRO C C 57 178.760 176.004 2.756 1
1 760 . 8 1 1 A 57 57 PRO CA C 57 62.630 63.212 -0.582 1
1 761 . 8 1 1 A 57 57 PRO CB C 57 32.197 32.020 0.177 1
1 764 . 8 1 1 A 58 58 ARG H H 58 9.448 8.595 0.853 1
1 765 . 8 1 1 A 58 58 ARG HA H 58 4.636 4.718 -0.082 1
1 773 . 8 1 1 A 58 58 ARG C C 58 175.430 176.152 -0.722 1
1 774 . 8 1 1 A 58 58 ARG CA C 58 54.210 54.417 -0.207 1
1 775 . 8 1 1 A 58 58 ARG CB C 58 34.208 32.654 1.554 1
1 778 . 8 1 1 A 58 58 ARG N N 58 122.690 124.144 -1.454 1
1 780 . 8 1 1 A 59 59 GLU H H 59 8.694 8.656 0.038 1
1 781 . 8 1 1 A 59 59 GLU HA H 59 4.096 4.430 -0.334 1
1 786 . 8 1 1 A 59 59 GLU C C 59 175.210 175.971 -0.761 1
1 787 . 8 1 1 A 59 59 GLU CA C 59 56.470 56.923 -0.453 1
1 788 . 8 1 1 A 59 59 GLU CB C 59 31.074 30.261 0.813 1
1 790 . 8 1 1 A 59 59 GLU N N 59 119.520 123.857 -4.337 1
1 791 . 8 1 1 A 60 60 VAL H H 60 7.296 7.581 -0.285 1
1 792 . 8 1 1 A 60 60 VAL HA H 60 4.471 4.708 -0.237 1
1 800 . 8 1 1 A 60 60 VAL C C 60 174.900 175.007 -0.107 1
1 801 . 8 1 1 A 60 60 VAL CA C 60 61.058 60.163 0.895 1
1 802 . 8 1 1 A 60 60 VAL CB C 60 35.056 35.458 -0.402 1
1 805 . 8 1 1 A 60 60 VAL N N 60 117.380 119.487 -2.107 1
1 806 . 8 1 1 A 61 61 VAL H H 61 8.064 8.769 -0.705 1
1 807 . 8 1 1 A 61 61 VAL HA H 61 4.540 5.022 -0.482 1
1 815 . 8 1 1 A 61 61 VAL C C 61 172.880 174.509 -1.629 1
1 816 . 8 1 1 A 61 61 VAL CA C 61 58.820 58.778 0.042 1
1 817 . 8 1 1 A 61 61 VAL CB C 61 33.464 35.955 -2.491 1
1 820 . 8 1 1 A 61 61 VAL N N 61 117.630 120.076 -2.446 1
1 821 . 8 1 1 A 62 62 GLU H H 62 8.620 8.779 -0.159 1
1 822 . 8 1 1 A 62 62 GLU HA H 62 4.543 4.957 -0.414 1
1 827 . 8 1 1 A 62 62 GLU C C 62 176.350 176.640 -0.290 1
1 828 . 8 1 1 A 62 62 GLU CA C 62 53.640 54.768 -1.128 1
1 829 . 8 1 1 A 62 62 GLU CB C 62 32.360 33.098 -0.738 1
1 831 . 8 1 1 A 62 62 GLU N N 62 118.060 120.145 -2.085 1
1 832 . 8 1 1 A 63 63 ILE H H 63 8.520 8.547 -0.027 1
1 833 . 8 1 1 A 63 63 ILE HA H 63 3.275 4.346 -1.071 1
1 843 . 8 1 1 A 63 63 ILE C C 63 177.940 176.600 1.340 1
1 844 . 8 1 1 A 63 63 ILE CA C 63 64.410 61.295 3.115 1
1 845 . 8 1 1 A 63 63 ILE CB C 63 37.674 35.961 1.713 1
1 849 . 8 1 1 A 63 63 ILE N N 63 120.310 123.200 -2.890 1
1 850 . 8 1 1 A 64 64 GLY H H 64 9.091 8.337 0.754 1
1 851 . 8 1 1 A 64 64 GLY HA2 H 64 3.563 4.149 -0.586 1
1 852 . 8 1 1 A 64 64 GLY HA3 H 64 4.774 4.163 0.611 1
1 853 . 8 1 1 A 64 64 GLY C C 64 173.290 174.502 -1.212 1
1 854 . 8 1 1 A 64 64 GLY CA C 64 45.359 45.435 -0.076 1
1 855 . 8 1 1 A 64 64 GLY N N 64 116.340 112.021 4.319 1
1 856 . 8 1 1 A 65 65 ASP H H 65 8.335 8.019 0.316 1
1 857 . 8 1 1 A 65 65 ASP HA H 65 4.914 5.096 -0.182 1
1 860 . 8 1 1 A 65 65 ASP C C 65 175.180 174.838 0.342 1
1 861 . 8 1 1 A 65 65 ASP CA C 65 56.630 54.138 2.492 1
1 862 . 8 1 1 A 65 65 ASP CB C 65 41.980 43.044 -1.064 1
1 863 . 8 1 1 A 65 65 ASP N N 65 121.610 120.448 1.162 1
1 864 . 8 1 1 A 66 66 VAL H H 66 7.580 8.412 -0.832 1
1 865 . 8 1 1 A 66 66 VAL HA H 66 5.085 4.724 0.361 1
1 873 . 8 1 1 A 66 66 VAL C C 66 176.170 174.518 1.652 1
1 874 . 8 1 1 A 66 66 VAL CA C 66 60.240 60.595 -0.355 1
1 875 . 8 1 1 A 66 66 VAL CB C 66 33.783 36.036 -2.253 1
1 878 . 8 1 1 A 66 66 VAL N N 66 117.330 119.465 -2.135 1
1 879 . 8 1 1 A 67 67 GLY H H 67 9.592 8.442 1.150 1
1 880 . 8 1 1 A 67 67 GLY HA2 H 67 5.899 4.495 1.404 1
1 881 . 8 1 1 A 67 67 GLY HA3 H 67 3.200 4.569 -1.369 1
1 882 . 8 1 1 A 67 67 GLY C C 67 171.740 171.900 -0.160 1
1 883 . 8 1 1 A 67 67 GLY CA C 67 43.580 44.552 -0.972 1
1 884 . 8 1 1 A 67 67 GLY N N 67 111.440 113.266 -1.826 1
1 885 . 8 1 1 A 68 68 TYR H H 68 9.146 8.803 0.343 1
1 886 . 8 1 1 A 68 68 TYR HA H 68 5.809 4.786 1.023 1
1 889 . 8 1 1 A 68 68 TYR C C 68 173.860 174.471 -0.611 1
1 890 . 8 1 1 A 68 68 TYR CA C 68 55.900 58.436 -2.536 1
1 891 . 8 1 1 A 68 68 TYR CB C 68 42.170 39.920 2.250 1
1 892 . 8 1 1 A 68 68 TYR N N 68 119.980 121.749 -1.769 1
1 893 . 8 1 1 A 69 69 TRP H H 69 9.213 8.118 1.095 1
1 894 . 8 1 1 A 69 69 TRP HA H 69 5.268 5.031 0.237 1
1 902 . 8 1 1 A 69 69 TRP CA C 69 53.390 55.351 -1.961 1
1 903 . 8 1 1 A 69 69 TRP CB C 69 30.442 30.415 0.027 1
1 908 . 8 1 1 A 69 69 TRP N N 69 132.150 128.938 3.212 1
1 910 . 8 1 1 A 70 70 PRO HA H 70 3.923 4.352 -0.429 1
1 917 . 8 1 1 A 70 70 PRO CA C 70 66.753 65.398 1.355 1
1 918 . 8 1 1 A 70 70 PRO CB C 70 30.054 31.931 -1.877 1
1 921 . 8 1 1 A 71 71 PRO HA H 71 3.716 4.088 -0.372 1
1 928 . 8 1 1 A 71 71 PRO CA C 71 65.803 64.530 1.273 1
1 929 . 8 1 1 A 71 71 PRO CB C 71 30.620 30.372 0.248 1
1 932 . 8 1 1 A 72 72 GLY HA2 H 72 3.168 3.325 -0.157 1
1 933 . 8 1 1 A 72 72 GLY HA3 H 72 4.271 3.552 0.719 1
1 934 . 8 1 1 A 72 72 GLY C C 72 173.220 173.810 -0.590 1
1 935 . 8 1 1 A 72 72 GLY CA C 72 44.350 44.775 -0.425 1
1 936 . 8 1 1 A 73 73 LYS H H 73 7.989 7.646 0.343 1
1 937 . 8 1 1 A 73 73 LYS HA H 73 3.566 3.764 -0.198 1
1 946 . 8 1 1 A 73 73 LYS C C 73 177.420 174.635 2.785 1
1 947 . 8 1 1 A 73 73 LYS CA C 73 57.790 57.413 0.377 1
1 948 . 8 1 1 A 73 73 LYS CB C 73 29.398 29.424 -0.026 1
1 952 . 8 1 1 A 73 73 LYS N N 73 121.515 115.995 5.520 1
1 953 . 8 1 1 A 74 74 ALA H H 74 6.969 7.251 -0.282 1
1 954 . 8 1 1 A 74 74 ALA HA H 74 5.123 5.020 0.103 1
1 958 . 8 1 1 A 74 74 ALA C C 74 177.490 175.268 2.222 1
1 959 . 8 1 1 A 74 74 ALA CA C 74 51.900 50.409 1.491 1
1 960 . 8 1 1 A 74 74 ALA CB C 74 23.090 23.103 -0.013 1
1 961 . 8 1 1 A 74 74 ALA N N 74 118.780 117.680 1.100 1
1 962 . 8 1 1 A 75 75 LEU H H 75 8.032 7.891 0.141 1
1 963 . 8 1 1 A 75 75 LEU HA H 75 4.844 4.281 0.563 1
1 973 . 8 1 1 A 75 75 LEU C C 75 175.540 175.239 0.301 1
1 974 . 8 1 1 A 75 75 LEU CA C 75 54.000 53.411 0.589 1
1 975 . 8 1 1 A 75 75 LEU CB C 75 43.858 43.157 0.701 1
1 979 . 8 1 1 A 75 75 LEU N N 75 122.780 119.575 3.205 1
1 980 . 8 1 1 A 76 76 CYS H H 76 8.813 7.955 0.858 1
1 981 . 8 1 1 A 76 76 CYS HA H 76 5.178 5.073 0.105 1
1 984 . 8 1 1 A 76 76 CYS C C 76 173.080 172.772 0.308 1
1 985 . 8 1 1 A 76 76 CYS CA C 76 55.850 57.680 -1.830 1
1 986 . 8 1 1 A 76 76 CYS CB C 76 31.922 32.422 -0.500 1
1 987 . 8 1 1 A 76 76 CYS N N 76 117.950 119.256 -1.306 1
1 988 . 8 1 1 A 77 77 LEU H H 77 9.621 8.814 0.807 1
1 989 . 8 1 1 A 77 77 LEU HA H 77 4.741 4.718 0.023 1
1 999 . 8 1 1 A 77 77 LEU C C 77 175.040 175.442 -0.402 1
1 1000 . 8 1 1 A 77 77 LEU CA C 77 53.510 53.784 -0.274 1
1 1001 . 8 1 1 A 77 77 LEU CB C 77 44.058 45.047 -0.989 1
1 1005 . 8 1 1 A 77 77 LEU N N 77 123.140 122.647 0.493 1
1 1006 . 8 1 1 A 78 78 PHE H H 78 7.930 8.742 -0.812 1
1 1007 . 8 1 1 A 78 78 PHE HA H 78 4.809 5.214 -0.405 1
1 1015 . 8 1 1 A 78 78 PHE C C 78 174.830 175.922 -1.092 1
1 1016 . 8 1 1 A 78 78 PHE CA C 78 58.140 56.450 1.690 1
1 1017 . 8 1 1 A 78 78 PHE CB C 78 39.603 39.750 -0.147 1
1 1021 . 8 1 1 A 78 78 PHE N N 78 120.120 123.753 -3.633 1
1 1022 . 8 1 1 A 79 79 PHE H H 79 8.038 8.256 -0.218 1
1 1023 . 8 1 1 A 79 79 PHE HA H 79 5.029 5.026 0.003 1
1 1031 . 8 1 1 A 79 79 PHE C C 79 172.070 174.944 -2.874 1
1 1032 . 8 1 1 A 79 79 PHE CA C 79 55.630 56.555 -0.925 1
1 1033 . 8 1 1 A 79 79 PHE CB C 79 39.003 40.760 -1.757 1
1 1037 . 8 1 1 A 79 79 PHE N N 79 119.040 119.166 -0.126 1
1 1038 . 8 1 1 A 80 80 GLY H H 80 7.489 7.492 -0.003 1
1 1039 . 8 1 1 A 80 80 GLY HA2 H 80 3.653 3.976 -0.323 1
1 1040 . 8 1 1 A 80 80 GLY HA3 H 80 4.283 4.111 0.172 1
1 1041 . 8 1 1 A 80 80 GLY C C 80 170.830 171.591 -0.761 1
1 1042 . 8 1 1 A 80 80 GLY CA C 80 45.342 45.976 -0.634 1
1 1043 . 8 1 1 A 80 80 GLY N N 80 110.010 108.395 1.615 1
1 1044 . 8 1 1 A 81 81 LYS H H 81 8.186 8.750 -0.564 1
1 1045 . 8 1 1 A 81 81 LYS HA H 81 4.003 4.722 -0.719 1
1 1054 . 8 1 1 A 81 81 LYS C C 81 177.530 175.525 2.005 1
1 1055 . 8 1 1 A 81 81 LYS CA C 81 57.730 54.906 2.824 1
1 1056 . 8 1 1 A 81 81 LYS CB C 81 33.293 34.615 -1.322 1
1 1060 . 8 1 1 A 81 81 LYS N N 81 117.260 123.807 -6.547 1
1 1061 . 8 1 1 A 82 82 THR H H 82 8.076 8.641 -0.565 1
1 1062 . 8 1 1 A 82 82 THR HA H 82 4.423 4.764 -0.341 1
1 1067 . 8 1 1 A 82 82 THR CA C 82 59.230 60.445 -1.215 1
1 1068 . 8 1 1 A 82 82 THR CB C 82 68.310 68.312 -0.002 1
1 1070 . 8 1 1 A 82 82 THR N N 82 113.611 117.094 -3.483 1
1 1071 . 8 1 1 A 83 83 PRO HA H 83 4.090 4.341 -0.251 1
1 1078 . 8 1 1 A 83 83 PRO CA C 83 63.743 64.027 -0.284 1
1 1079 . 8 1 1 A 83 83 PRO CB C 83 32.167 31.446 0.721 1
1 1082 . 8 1 1 A 84 84 MET HA H 84 4.220 4.767 -0.547 1
1 1090 . 8 1 1 A 84 84 MET C C 84 175.920 174.854 1.066 1
1 1091 . 8 1 1 A 84 84 MET CA C 84 55.880 54.336 1.544 1
1 1092 . 8 1 1 A 84 84 MET CB C 84 33.070 33.321 -0.251 1
1 1095 . 8 1 1 A 85 85 SER H H 85 7.256 7.240 0.016 1
1 1096 . 8 1 1 A 85 85 SER HA H 85 4.401 4.998 -0.597 1
1 1099 . 8 1 1 A 85 85 SER C C 85 173.380 173.100 0.280 1
1 1100 . 8 1 1 A 85 85 SER CA C 85 58.230 57.005 1.225 1
1 1101 . 8 1 1 A 85 85 SER CB C 85 64.290 67.127 -2.837 1
1 1102 . 8 1 1 A 85 85 SER N N 85 111.370 113.627 -2.257 1
1 1103 . 8 1 1 A 86 86 ASP H H 86 8.517 8.436 0.081 1
1 1104 . 8 1 1 A 86 86 ASP HA H 86 4.692 4.497 0.195 1
1 1107 . 8 1 1 A 86 86 ASP C C 86 175.860 176.743 -0.883 1
1 1108 . 8 1 1 A 86 86 ASP CA C 86 54.150 56.066 -1.916 1
1 1109 . 8 1 1 A 86 86 ASP CB C 86 41.360 41.589 -0.229 1
1 1110 . 8 1 1 A 86 86 ASP N N 86 123.320 120.623 2.697 1
1 1111 . 8 1 1 A 87 87 ASP H H 87 8.412 8.128 0.284 1
1 1112 . 8 1 1 A 87 87 ASP HA H 87 4.529 4.421 0.108 1
1 1115 . 8 1 1 A 87 87 ASP C C 87 175.270 175.869 -0.599 1
1 1116 . 8 1 1 A 87 87 ASP CA C 87 54.870 56.751 -1.881 1
1 1117 . 8 1 1 A 87 87 ASP CB C 87 41.580 41.780 -0.200 1
1 1118 . 8 1 1 A 87 87 ASP N N 87 118.900 119.614 -0.714 1
1 1119 . 8 1 1 A 88 88 LYS H H 88 7.869 7.593 0.276 1
1 1120 . 8 1 1 A 88 88 LYS HA H 88 4.372 4.863 -0.491 1
1 1129 . 8 1 1 A 88 88 LYS C C 88 174.870 175.333 -0.463 1
1 1130 . 8 1 1 A 88 88 LYS CA C 88 54.580 54.133 0.447 1
1 1131 . 8 1 1 A 88 88 LYS CB C 88 34.047 35.556 -1.509 1
1 1135 . 8 1 1 A 88 88 LYS N N 88 118.310 113.687 4.623 1
1 1136 . 8 1 1 A 89 89 ILE H H 89 8.604 8.485 0.119 1
1 1137 . 8 1 1 A 89 89 ILE HA H 89 3.873 4.376 -0.503 1
1 1147 . 8 1 1 A 89 89 ILE C C 89 174.480 175.092 -0.612 1
1 1148 . 8 1 1 A 89 89 ILE CA C 89 61.890 60.066 1.824 1
1 1149 . 8 1 1 A 89 89 ILE CB C 89 36.398 37.607 -1.209 1
1 1153 . 8 1 1 A 89 89 ILE N N 89 121.510 121.409 0.101 1
1 1154 . 8 1 1 A 90 90 GLN H H 90 8.015 8.647 -0.632 1
1 1155 . 8 1 1 A 90 90 GLN HA H 90 5.033 4.708 0.325 1
1 1162 . 8 1 1 A 90 90 GLN CA C 90 52.110 52.247 -0.137 1
1 1163 . 8 1 1 A 90 90 GLN CB C 90 32.045 31.411 0.634 1
1 1165 . 8 1 1 A 90 90 GLN N N 90 126.430 124.870 1.560 1
1 1167 . 8 1 1 A 91 91 PRO HA H 91 4.508 4.709 -0.201 1
1 1174 . 8 1 1 A 91 91 PRO C C 91 175.210 176.895 -1.685 1
1 1175 . 8 1 1 A 91 91 PRO CA C 91 61.680 62.444 -0.764 1
1 1176 . 8 1 1 A 91 91 PRO CB C 91 32.854 32.863 -0.009 1
1 1179 . 8 1 1 A 92 92 ALA H H 92 8.014 8.482 -0.468 1
1 1180 . 8 1 1 A 92 92 ALA HA H 92 3.931 4.228 -0.297 1
1 1184 . 8 1 1 A 92 92 ALA CA C 92 55.270 53.809 1.461 1
1 1185 . 8 1 1 A 92 92 ALA CB C 92 18.838 18.714 0.124 1
1 1186 . 8 1 1 A 92 92 ALA N N 92 121.420 122.497 -1.077 1
1 1187 . 8 1 1 A 93 93 SER H H 93 7.391 7.856 -0.465 1
1 1188 . 8 1 1 A 93 93 SER HA H 93 4.223 4.669 -0.446 1
1 1191 . 8 1 1 A 93 93 SER C C 93 171.670 172.259 -0.589 1
1 1192 . 8 1 1 A 93 93 SER CA C 93 57.240 57.425 -0.185 1
1 1193 . 8 1 1 A 93 93 SER CB C 93 63.620 64.945 -1.325 1
1 1194 . 8 1 1 A 93 93 SER N N 93 105.210 109.446 -4.236 1
1 1195 . 8 1 1 A 94 94 ALA H H 94 8.276 8.537 -0.261 1
1 1196 . 8 1 1 A 94 94 ALA HA H 94 4.113 4.417 -0.304 1
1 1200 . 8 1 1 A 94 94 ALA C C 94 177.150 177.118 0.032 1
1 1201 . 8 1 1 A 94 94 ALA CA C 94 53.810 51.675 2.135 1
1 1202 . 8 1 1 A 94 94 ALA CB C 94 19.219 17.281 1.938 1
1 1203 . 8 1 1 A 94 94 ALA N N 94 117.972 123.235 -5.263 1
1 1204 . 8 1 1 A 95 95 VAL H H 95 7.886 8.415 -0.529 1
1 1205 . 8 1 1 A 95 95 VAL HA H 95 5.037 4.420 0.617 1
1 1213 . 8 1 1 A 95 95 VAL C C 95 174.060 175.931 -1.871 1
1 1214 . 8 1 1 A 95 95 VAL CA C 95 57.510 61.869 -4.359 1
1 1215 . 8 1 1 A 95 95 VAL CB C 95 35.106 33.198 1.908 1
1 1218 . 8 1 1 A 95 95 VAL N N 95 108.410 118.609 -10.199 1
1 1219 . 8 1 1 A 96 96 ASN H H 96 9.178 8.842 0.336 1
1 1220 . 8 1 1 A 96 96 ASN HA H 96 4.897 5.786 -0.889 1
1 1225 . 8 1 1 A 96 96 ASN C C 96 176.600 173.920 2.680 1
1 1226 . 8 1 1 A 96 96 ASN CA C 96 50.790 51.183 -0.393 1
1 1227 . 8 1 1 A 96 96 ASN CB C 96 39.637 40.788 -1.151 1
1 1228 . 8 1 1 A 96 96 ASN N N 96 121.250 118.568 2.682 1
1 1230 . 8 1 1 A 97 97 VAL H H 97 8.503 9.034 -0.531 1
1 1231 . 8 1 1 A 97 97 VAL HA H 97 4.421 4.294 0.127 1
1 1239 . 8 1 1 A 97 97 VAL C C 97 176.450 176.294 0.156 1
1 1240 . 8 1 1 A 97 97 VAL CA C 97 66.030 63.122 2.908 1
1 1241 . 8 1 1 A 97 97 VAL CB C 97 30.552 30.399 0.153 1
1 1244 . 8 1 1 A 97 97 VAL N N 97 129.670 123.094 6.576 1
1 1245 . 8 1 1 A 98 98 ILE H H 98 8.129 8.461 -0.332 1
1 1246 . 8 1 1 A 98 98 ILE HA H 98 4.628 4.296 0.332 1
1 1256 . 8 1 1 A 98 98 ILE C C 98 174.270 175.816 -1.546 1
1 1257 . 8 1 1 A 98 98 ILE CA C 98 61.240 61.085 0.155 1
1 1258 . 8 1 1 A 98 98 ILE CB C 98 39.812 39.008 0.804 1
1 1262 . 8 1 1 A 98 98 ILE N N 98 119.500 122.332 -2.832 1
1 1263 . 8 1 1 A 99 99 GLY H H 99 7.668 7.667 0.001 1
1 1264 . 8 1 1 A 99 99 GLY HA2 H 99 4.435 4.133 0.302 1
1 1265 . 8 1 1 A 99 99 GLY HA3 H 99 4.637 4.151 0.486 1
1 1266 . 8 1 1 A 99 99 GLY C C 99 172.410 172.096 0.314 1
1 1267 . 8 1 1 A 99 99 GLY CA C 99 46.906 44.272 2.634 1
1 1268 . 8 1 1 A 99 99 GLY N N 99 107.230 111.368 -4.138 1
1 1269 . 8 1 1 A 100 100 LYS H H 100 8.347 8.803 -0.456 1
1 1270 . 8 1 1 A 100 100 LYS HA H 100 5.540 5.112 0.428 1
1 1279 . 8 1 1 A 100 100 LYS C C 100 175.740 175.004 0.736 1
1 1280 . 8 1 1 A 100 100 LYS CA C 100 54.150 54.673 -0.523 1
1 1281 . 8 1 1 A 100 100 LYS CB C 100 37.900 36.050 1.850 1
1 1285 . 8 1 1 A 100 100 LYS N N 100 119.730 120.994 -1.264 1
1 1286 . 8 1 1 A 101 101 ILE H H 101 9.542 9.252 0.290 1
1 1287 . 8 1 1 A 101 101 ILE HA H 101 4.184 4.178 0.006 1
1 1297 . 8 1 1 A 101 101 ILE C C 101 176.010 176.213 -0.203 1
1 1298 . 8 1 1 A 101 101 ILE CA C 101 62.940 61.854 1.086 1
1 1299 . 8 1 1 A 101 101 ILE CB C 101 39.212 37.038 2.174 1
1 1303 . 8 1 1 A 101 101 ILE N N 101 124.050 127.018 -2.968 1
1 1304 . 8 1 1 A 102 102 VAL H H 102 8.728 8.657 0.071 1
1 1305 . 8 1 1 A 102 102 VAL HA H 102 4.591 4.225 0.366 1
1 1313 . 8 1 1 A 102 102 VAL C C 102 175.730 175.761 -0.031 1
1 1314 . 8 1 1 A 102 102 VAL CA C 102 62.030 63.485 -1.455 1
1 1315 . 8 1 1 A 102 102 VAL CB C 102 33.307 32.854 0.453 1
1 1318 . 8 1 1 A 102 102 VAL N N 102 121.420 128.855 -7.435 1
1 1319 . 8 1 1 A 103 103 GLU H H 103 7.912 7.905 0.007 1
1 1320 . 8 1 1 A 103 103 GLU HA H 103 4.661 4.638 0.023 1
1 1325 . 8 1 1 A 103 103 GLU C C 103 176.520 175.927 0.593 1
1 1326 . 8 1 1 A 103 103 GLU CA C 103 56.550 55.378 1.172 1
1 1327 . 8 1 1 A 103 103 GLU CB C 103 34.180 33.707 0.473 1
1 1329 . 8 1 1 A 103 103 GLU N N 103 120.750 119.923 0.827 1
1 1330 . 8 1 1 A 104 104 GLY H H 104 8.934 8.709 0.225 1
1 1331 . 8 1 1 A 104 104 GLY HA2 H 104 3.932 4.064 -0.132 1
1 1332 . 8 1 1 A 104 104 GLY HA3 H 104 4.345 4.073 0.272 1
1 1333 . 8 1 1 A 104 104 GLY C C 104 175.230 175.312 -0.082 1
1 1334 . 8 1 1 A 104 104 GLY CA C 104 46.616 46.510 0.106 1
1 1335 . 8 1 1 A 104 104 GLY N N 104 111.140 111.041 0.099 1
1 1336 . 8 1 1 A 105 105 LEU H H 105 8.158 7.878 0.280 1
1 1337 . 8 1 1 A 105 105 LEU HA H 105 3.702 3.946 -0.244 1
1 1347 . 8 1 1 A 105 105 LEU C C 105 179.250 178.512 0.738 1
1 1348 . 8 1 1 A 105 105 LEU CA C 105 59.400 57.359 2.041 1
1 1349 . 8 1 1 A 105 105 LEU CB C 105 42.743 42.082 0.661 1
1 1353 . 8 1 1 A 105 105 LEU N N 105 121.390 122.241 -0.851 1
1 1354 . 8 1 1 A 106 106 GLU H H 106 8.944 8.441 0.503 1
1 1355 . 8 1 1 A 106 106 GLU HA H 106 3.978 4.174 -0.196 1
1 1360 . 8 1 1 A 106 106 GLU C C 106 178.120 179.031 -0.911 1
1 1361 . 8 1 1 A 106 106 GLU CA C 106 58.720 59.259 -0.539 1
1 1362 . 8 1 1 A 106 106 GLU CB C 106 28.920 29.041 -0.121 1
1 1364 . 8 1 1 A 106 106 GLU N N 106 113.860 118.953 -5.093 1
1 1365 . 8 1 1 A 107 107 ASP H H 107 7.538 7.969 -0.431 1
1 1366 . 8 1 1 A 107 107 ASP HA H 107 4.344 4.279 0.065 1
1 1369 . 8 1 1 A 107 107 ASP C C 107 178.190 179.007 -0.817 1
1 1370 . 8 1 1 A 107 107 ASP CA C 107 55.780 56.582 -0.802 1
1 1371 . 8 1 1 A 107 107 ASP CB C 107 41.191 40.212 0.979 1
1 1372 . 8 1 1 A 107 107 ASP N N 107 119.620 119.716 -0.096 1
1 1373 . 8 1 1 A 108 108 LEU H H 108 7.115 7.845 -0.730 1
1 1374 . 8 1 1 A 108 108 LEU HA H 108 3.357 3.509 -0.152 1
1 1384 . 8 1 1 A 108 108 LEU C C 108 177.920 178.704 -0.784 1
1 1385 . 8 1 1 A 108 108 LEU CA C 108 57.000 57.301 -0.301 1
1 1386 . 8 1 1 A 108 108 LEU CB C 108 38.445 40.460 -2.015 1
1 1390 . 8 1 1 A 108 108 LEU N N 108 117.551 119.784 -2.233 1
1 1391 . 8 1 1 A 109 109 LYS H H 109 7.179 7.791 -0.612 1
1 1392 . 8 1 1 A 109 109 LYS HA H 109 3.879 4.452 -0.573 1
1 1401 . 8 1 1 A 109 109 LYS C C 109 176.650 177.348 -0.698 1
1 1402 . 8 1 1 A 109 109 LYS CA C 109 57.792 58.407 -0.615 1
1 1403 . 8 1 1 A 109 109 LYS CB C 109 32.184 32.040 0.144 1
1 1407 . 8 1 1 A 109 109 LYS N N 109 115.080 118.152 -3.072 1
1 1408 . 8 1 1 A 110 110 LYS H H 110 7.364 7.307 0.057 1
1 1409 . 8 1 1 A 110 110 LYS HA H 110 4.016 4.308 -0.292 1
1 1418 . 8 1 1 A 110 110 LYS C C 110 175.890 176.269 -0.379 1
1 1419 . 8 1 1 A 110 110 LYS CA C 110 56.550 56.451 0.099 1
1 1420 . 8 1 1 A 110 110 LYS CB C 110 32.972 32.947 0.025 1
1 1424 . 8 1 1 A 110 110 LYS N N 110 116.720 116.446 0.274 1
1 1425 . 8 1 1 A 111 111 ILE H H 111 6.626 7.059 -0.433 1
1 1426 . 8 1 1 A 111 111 ILE HA H 111 3.531 4.079 -0.548 1
1 1436 . 8 1 1 A 111 111 ILE C C 111 176.180 175.293 0.887 1
1 1437 . 8 1 1 A 111 111 ILE CA C 111 59.950 60.414 -0.464 1
1 1438 . 8 1 1 A 111 111 ILE CB C 111 34.946 38.320 -3.374 1
1 1442 . 8 1 1 A 111 111 ILE N N 111 117.000 120.395 -3.395 1
1 1443 . 8 1 1 A 112 112 LYS H H 112 8.388 8.513 -0.125 1
1 1444 . 8 1 1 A 112 112 LYS HA H 112 4.356 4.713 -0.357 1
1 1453 . 8 1 1 A 112 112 LYS C C 112 175.750 177.421 -1.671 1
1 1454 . 8 1 1 A 112 112 LYS CA C 112 54.430 54.401 0.029 1
1 1455 . 8 1 1 A 112 112 LYS CB C 112 33.936 34.919 -0.983 1
1 1459 . 8 1 1 A 112 112 LYS N N 112 128.240 123.135 5.105 1
1 1460 . 8 1 1 A 113 113 ASP H H 113 8.103 8.783 -0.680 1
1 1461 . 8 1 1 A 113 113 ASP HA H 113 4.026 4.864 -0.838 1
1 1464 . 8 1 1 A 113 113 ASP C C 113 177.630 176.766 0.864 1
1 1465 . 8 1 1 A 113 113 ASP CA C 113 56.660 53.988 2.672 1
1 1466 . 8 1 1 A 113 113 ASP CB C 113 42.033 40.830 1.203 1
1 1467 . 8 1 1 A 113 113 ASP N N 113 119.040 122.246 -3.206 1
1 1468 . 8 1 1 A 114 114 GLY H H 114 8.635 7.545 1.090 1
1 1469 . 8 1 1 A 114 114 GLY HA2 H 114 3.547 4.057 -0.510 1
1 1470 . 8 1 1 A 114 114 GLY HA3 H 114 4.229 4.059 0.170 1
1 1471 . 8 1 1 A 114 114 GLY C C 114 174.640 174.550 0.090 1
1 1472 . 8 1 1 A 114 114 GLY CA C 114 45.403 45.402 0.001 1
1 1473 . 8 1 1 A 114 114 GLY N N 114 113.170 106.138 7.032 1
1 1474 . 8 1 1 A 115 115 GLU H H 115 7.346 7.878 -0.532 1
1 1475 . 8 1 1 A 115 115 GLU HA H 115 4.113 4.536 -0.423 1
1 1480 . 8 1 1 A 115 115 GLU C C 115 175.840 175.217 0.623 1
1 1481 . 8 1 1 A 115 115 GLU CA C 115 58.180 55.935 2.245 1
1 1482 . 8 1 1 A 115 115 GLU CB C 115 30.902 28.779 2.123 1
1 1484 . 8 1 1 A 115 115 GLU N N 115 119.440 119.532 -0.092 1
1 1485 . 8 1 1 A 116 116 LYS H H 116 9.107 8.120 0.987 1
1 1486 . 8 1 1 A 116 116 LYS HA H 116 4.529 3.817 0.712 1
1 1495 . 8 1 1 A 116 116 LYS C C 116 176.050 175.081 0.969 1
1 1496 . 8 1 1 A 116 116 LYS CA C 116 56.820 56.838 -0.018 1
1 1497 . 8 1 1 A 116 116 LYS CB C 116 33.358 30.883 2.475 1
1 1501 . 8 1 1 A 116 116 LYS N N 116 121.800 115.428 6.372 1
1 1502 . 8 1 1 A 117 117 VAL H H 117 7.860 7.874 -0.014 1
1 1503 . 8 1 1 A 117 117 VAL HA H 117 4.668 4.101 0.567 1
1 1511 . 8 1 1 A 117 117 VAL C C 117 171.630 174.209 -2.579 1
1 1512 . 8 1 1 A 117 117 VAL CA C 117 57.440 61.518 -4.078 1
1 1513 . 8 1 1 A 117 117 VAL CB C 117 34.614 31.512 3.102 1
1 1516 . 8 1 1 A 117 117 VAL N N 117 118.940 118.877 0.063 1
1 1517 . 8 1 1 A 118 118 ALA H H 118 8.310 8.782 -0.472 1
1 1518 . 8 1 1 A 118 118 ALA HA H 118 4.506 4.395 0.111 1
1 1522 . 8 1 1 A 118 118 ALA C C 118 174.660 176.068 -1.408 1
1 1523 . 8 1 1 A 118 118 ALA CA C 118 50.370 50.908 -0.538 1
1 1524 . 8 1 1 A 118 118 ALA CB C 118 20.250 19.236 1.014 1
1 1525 . 8 1 1 A 118 118 ALA N N 118 130.190 131.705 -1.515 1
1 1526 . 8 1 1 A 119 119 VAL H H 119 8.295 8.464 -0.169 1
1 1527 . 8 1 1 A 119 119 VAL HA H 119 4.096 3.995 0.101 1
1 1535 . 8 1 1 A 119 119 VAL C C 119 175.320 175.676 -0.356 1
1 1536 . 8 1 1 A 119 119 VAL CA C 119 61.570 61.975 -0.405 1
1 1537 . 8 1 1 A 119 119 VAL CB C 119 31.445 31.490 -0.045 1
1 1540 . 8 1 1 A 119 119 VAL N N 119 123.160 123.470 -0.310 1
1 1541 . 8 1 1 A 120 120 ARG H H 120 8.596 8.837 -0.241 1
1 1542 . 8 1 1 A 120 120 ARG HA H 120 4.534 4.620 -0.086 1
1 1550 . 8 1 1 A 120 120 ARG C C 120 175.260 176.331 -1.071 1
1 1551 . 8 1 1 A 120 120 ARG CA C 120 53.740 53.601 0.139 1
1 1552 . 8 1 1 A 120 120 ARG CB C 120 34.359 33.829 0.530 1
1 1555 . 8 1 1 A 120 120 ARG N N 120 123.692 126.890 -3.198 1
1 1557 . 8 1 1 A 121 121 PHE H H 121 8.585 8.911 -0.326 1
1 1558 . 8 1 1 A 121 121 PHE HA H 121 4.591 4.405 0.186 1
1 1566 . 8 1 1 A 121 121 PHE C C 121 176.430 175.777 0.653 1
1 1567 . 8 1 1 A 121 121 PHE CA C 121 60.370 58.207 2.163 1
1 1568 . 8 1 1 A 121 121 PHE CB C 121 38.713 39.223 -0.510 1
1 1572 . 8 1 1 A 121 121 PHE N N 121 120.110 120.530 -0.420 1
1 1573 . 8 1 1 A 122 122 ALA H H 122 7.896 7.991 -0.095 1
1 1574 . 8 1 1 A 122 122 ALA HA H 122 4.304 4.234 0.070 1
1 1578 . 8 1 1 A 122 122 ALA C C 122 177.430 177.255 0.175 1
1 1579 . 8 1 1 A 122 122 ALA CA C 122 52.050 54.288 -2.238 1
1 1580 . 8 1 1 A 122 122 ALA CB C 122 19.865 18.191 1.674 1
1 1581 . 8 1 1 A 122 122 ALA N N 122 123.820 121.830 1.990 1
1 1582 . 8 1 1 A 123 123 SER H H 123 8.675 8.902 -0.227 1
1 1583 . 8 1 1 A 123 123 SER HA H 123 4.372 4.816 -0.444 1
1 1586 . 8 1 1 A 123 123 SER C C 123 173.630 175.035 -1.405 1
1 1587 . 8 1 1 A 123 123 SER CA C 123 58.750 57.902 0.848 1
1 1588 . 8 1 1 A 123 123 SER CB C 123 63.870 65.065 -1.195 1
1 1589 . 8 1 1 A 123 123 SER N N 123 117.330 114.118 3.212 1
1 14 . 9 1 1 A 2 2 ARG H H 2 9.247 9.052 0.195 1
1 15 . 9 1 1 A 2 2 ARG HA H 2 5.249 5.062 0.187 1
1 23 . 9 1 1 A 2 2 ARG C C 2 176.020 174.938 1.082 1
1 24 . 9 1 1 A 2 2 ARG CA C 2 56.360 54.681 1.679 1
1 25 . 9 1 1 A 2 2 ARG CB C 2 31.953 33.531 -1.578 1
1 28 . 9 1 1 A 2 2 ARG N N 2 129.420 126.831 2.589 1
1 30 . 9 1 1 A 3 3 VAL H H 3 9.361 8.537 0.824 1
1 31 . 9 1 1 A 3 3 VAL HA H 3 4.464 4.877 -0.413 1
1 39 . 9 1 1 A 3 3 VAL C C 3 173.160 174.097 -0.937 1
1 40 . 9 1 1 A 3 3 VAL CA C 3 61.330 60.218 1.112 1
1 41 . 9 1 1 A 3 3 VAL CB C 3 36.251 36.200 0.051 1
1 44 . 9 1 1 A 3 3 VAL N N 3 126.750 119.867 6.883 1
1 45 . 9 1 1 A 4 4 GLU H H 4 9.294 9.265 0.029 1
1 46 . 9 1 1 A 4 4 GLU HA H 4 4.807 5.052 -0.245 1
1 51 . 9 1 1 A 4 4 GLU C C 4 173.020 174.636 -1.616 1
1 52 . 9 1 1 A 4 4 GLU CA C 4 54.890 54.678 0.212 1
1 53 . 9 1 1 A 4 4 GLU CB C 4 33.146 33.453 -0.307 1
1 55 . 9 1 1 A 4 4 GLU N N 4 128.550 126.883 1.667 1
1 56 . 9 1 1 A 5 5 LEU H H 5 8.685 8.948 -0.263 1
1 57 . 9 1 1 A 5 5 LEU HA H 5 4.547 4.529 0.018 1
1 67 . 9 1 1 A 5 5 LEU C C 5 173.750 174.530 -0.780 1
1 68 . 9 1 1 A 5 5 LEU CA C 5 52.450 53.229 -0.779 1
1 69 . 9 1 1 A 5 5 LEU CB C 5 41.998 43.425 -1.427 1
1 73 . 9 1 1 A 5 5 LEU N N 5 124.490 126.516 -2.026 1
1 74 . 9 1 1 A 6 6 LEU H H 6 8.608 8.958 -0.350 1
1 75 . 9 1 1 A 6 6 LEU HA H 6 4.502 4.951 -0.449 1
1 85 . 9 1 1 A 6 6 LEU C C 6 176.550 175.182 1.368 1
1 86 . 9 1 1 A 6 6 LEU CA C 6 53.790 53.117 0.673 1
1 87 . 9 1 1 A 6 6 LEU CB C 6 42.240 43.016 -0.776 1
1 91 . 9 1 1 A 6 6 LEU N N 6 123.330 125.785 -2.455 1
1 92 . 9 1 1 A 7 7 PHE H H 7 8.344 9.281 -0.937 1
1 93 . 9 1 1 A 7 7 PHE HA H 7 5.378 4.781 0.597 1
1 101 . 9 1 1 A 7 7 PHE C C 7 175.050 176.735 -1.685 1
1 102 . 9 1 1 A 7 7 PHE CA C 7 55.830 57.347 -1.517 1
1 103 . 9 1 1 A 7 7 PHE CB C 7 39.383 41.319 -1.936 1
1 108 . 9 1 1 A 7 7 PHE N N 7 125.190 123.663 1.527 1
1 109 . 9 1 1 A 8 8 GLU H H 8 8.226 9.062 -0.836 1
1 110 . 9 1 1 A 8 8 GLU HA H 8 4.266 4.159 0.107 1
1 115 . 9 1 1 A 8 8 GLU C C 8 180.740 176.758 3.982 1
1 116 . 9 1 1 A 8 8 GLU CA C 8 59.530 59.416 0.114 1
1 117 . 9 1 1 A 8 8 GLU CB C 8 29.723 29.289 0.434 1
1 119 . 9 1 1 A 8 8 GLU N N 8 120.100 122.591 -2.491 1
1 120 . 9 1 1 A 9 9 SER H H 9 9.069 8.025 1.044 1
1 121 . 9 1 1 A 9 9 SER HA H 9 4.467 4.678 -0.211 1
1 124 . 9 1 1 A 9 9 SER C C 9 173.740 173.514 0.226 1
1 125 . 9 1 1 A 9 9 SER CA C 9 58.600 58.365 0.235 1
1 126 . 9 1 1 A 9 9 SER CB C 9 63.120 64.598 -1.478 1
1 127 . 9 1 1 A 9 9 SER N N 9 112.770 112.325 0.445 1
1 128 . 9 1 1 A 10 10 GLY H H 10 6.925 7.609 -0.684 1
1 129 . 9 1 1 A 10 10 GLY HA2 H 10 3.896 4.079 -0.183 1
1 130 . 9 1 1 A 10 10 GLY HA3 H 10 3.896 4.115 -0.219 1
1 131 . 9 1 1 A 10 10 GLY C C 10 170.040 171.257 -1.217 1
1 132 . 9 1 1 A 10 10 GLY CA C 10 45.466 45.885 -0.419 1
1 133 . 9 1 1 A 10 10 GLY N N 10 105.760 107.700 -1.940 1
1 134 . 9 1 1 A 11 11 LYS H H 11 9.071 8.917 0.154 1
1 135 . 9 1 1 A 11 11 LYS HA H 11 5.484 5.655 -0.171 1
1 144 . 9 1 1 A 11 11 LYS C C 11 174.230 174.338 -0.108 1
1 145 . 9 1 1 A 11 11 LYS CA C 11 55.460 54.881 0.579 1
1 146 . 9 1 1 A 11 11 LYS CB C 11 36.408 36.688 -0.280 1
1 150 . 9 1 1 A 11 11 LYS N N 11 118.960 116.726 2.234 1
1 151 . 9 1 1 A 12 12 CYS H H 12 8.917 9.276 -0.359 1
1 152 . 9 1 1 A 12 12 CYS HA H 12 5.083 5.254 -0.171 1
1 155 . 9 1 1 A 12 12 CYS C C 12 171.760 172.353 -0.593 1
1 156 . 9 1 1 A 12 12 CYS CA C 12 56.770 56.473 0.297 1
1 157 . 9 1 1 A 12 12 CYS CB C 12 31.267 32.979 -1.712 1
1 158 . 9 1 1 A 12 12 CYS N N 12 115.700 118.887 -3.187 1
1 159 . 9 1 1 A 13 13 VAL H H 13 8.474 8.595 -0.121 1
1 160 . 9 1 1 A 13 13 VAL HA H 13 4.992 4.929 0.063 1
1 168 . 9 1 1 A 13 13 VAL C C 13 175.660 175.026 0.634 1
1 169 . 9 1 1 A 13 13 VAL CA C 13 61.490 60.743 0.747 1
1 170 . 9 1 1 A 13 13 VAL CB C 13 35.125 36.026 -0.901 1
1 173 . 9 1 1 A 13 13 VAL N N 13 120.490 119.473 1.017 1
1 174 . 9 1 1 A 14 14 ILE H H 14 9.378 9.186 0.192 1
1 175 . 9 1 1 A 14 14 ILE HA H 14 5.335 5.267 0.068 1
1 185 . 9 1 1 A 14 14 ILE C C 14 172.570 173.827 -1.257 1
1 186 . 9 1 1 A 14 14 ILE CA C 14 58.540 59.132 -0.592 1
1 187 . 9 1 1 A 14 14 ILE CB C 14 40.755 41.042 -0.287 1
1 191 . 9 1 1 A 14 14 ILE N N 14 120.140 123.406 -3.266 1
1 192 . 9 1 1 A 15 15 ASP H H 15 9.295 9.223 0.072 1
1 193 . 9 1 1 A 15 15 ASP HA H 15 5.274 5.138 0.136 1
1 196 . 9 1 1 A 15 15 ASP C C 15 176.510 175.128 1.382 1
1 197 . 9 1 1 A 15 15 ASP CA C 15 53.050 53.218 -0.168 1
1 198 . 9 1 1 A 15 15 ASP CB C 15 44.007 42.678 1.329 1
1 199 . 9 1 1 A 15 15 ASP N N 15 123.200 126.768 -3.568 1
1 200 . 9 1 1 A 16 16 LEU H H 16 8.892 9.050 -0.158 1
1 201 . 9 1 1 A 16 16 LEU HA H 16 4.981 5.322 -0.341 1
1 211 . 9 1 1 A 16 16 LEU C C 16 175.430 175.370 0.060 1
1 212 . 9 1 1 A 16 16 LEU CA C 16 53.040 53.461 -0.421 1
1 213 . 9 1 1 A 16 16 LEU CB C 16 45.782 46.021 -0.239 1
1 217 . 9 1 1 A 16 16 LEU N N 16 123.620 126.963 -3.343 1
1 218 . 9 1 1 A 17 17 ASN H H 17 8.694 8.850 -0.156 1
1 219 . 9 1 1 A 17 17 ASN HA H 17 4.632 4.962 -0.330 1
1 224 . 9 1 1 A 17 17 ASN C C 17 175.500 176.093 -0.593 1
1 225 . 9 1 1 A 17 17 ASN CA C 17 53.310 51.753 1.557 1
1 226 . 9 1 1 A 17 17 ASN CB C 17 38.508 38.665 -0.157 1
1 227 . 9 1 1 A 17 17 ASN N N 17 121.330 121.994 -0.664 1
1 229 . 9 1 1 A 18 18 GLU H H 18 8.793 8.938 -0.145 1
1 230 . 9 1 1 A 18 18 GLU HA H 18 3.736 4.152 -0.416 1
1 235 . 9 1 1 A 18 18 GLU C C 18 175.250 178.322 -3.072 1
1 236 . 9 1 1 A 18 18 GLU CA C 18 58.330 58.489 -0.159 1
1 237 . 9 1 1 A 18 18 GLU CB C 18 29.947 28.921 1.026 1
1 239 . 9 1 1 A 18 18 GLU N N 18 124.750 126.320 -1.570 1
1 240 . 9 1 1 A 19 19 GLU H H 19 8.187 7.825 0.362 1
1 241 . 9 1 1 A 19 19 GLU HA H 19 3.885 4.163 -0.278 1
1 246 . 9 1 1 A 19 19 GLU C C 19 177.350 177.214 0.136 1
1 247 . 9 1 1 A 19 19 GLU CA C 19 57.730 58.934 -1.204 1
1 248 . 9 1 1 A 19 19 GLU CB C 19 29.744 29.337 0.407 1
1 250 . 9 1 1 A 19 19 GLU N N 19 117.280 118.520 -1.240 1
1 251 . 9 1 1 A 20 20 TYR H H 20 7.135 7.250 -0.115 1
1 252 . 9 1 1 A 20 20 TYR HA H 20 4.668 4.510 0.158 1
1 259 . 9 1 1 A 20 20 TYR CA C 20 56.050 59.113 -3.063 1
1 260 . 9 1 1 A 20 20 TYR CB C 20 38.464 38.195 0.269 1
1 263 . 9 1 1 A 20 20 TYR N N 20 117.730 119.581 -1.851 1
1 264 . 9 1 1 A 21 21 GLU H H 21 10.044 9.025 1.019 1
1 265 . 9 1 1 A 21 21 GLU HA H 21 3.807 3.902 -0.095 1
1 270 . 9 1 1 A 21 21 GLU C C 21 179.150 178.477 0.673 1
1 271 . 9 1 1 A 21 21 GLU CA C 21 60.640 60.144 0.496 1
1 272 . 9 1 1 A 21 21 GLU CB C 21 29.167 29.866 -0.699 1
1 274 . 9 1 1 A 21 21 GLU N N 21 129.480 124.678 4.802 1
1 275 . 9 1 1 A 22 22 VAL H H 22 9.539 8.032 1.507 1
1 276 . 9 1 1 A 22 22 VAL HA H 22 3.574 3.720 -0.146 1
1 284 . 9 1 1 A 22 22 VAL C C 22 175.490 178.516 -3.026 1
1 285 . 9 1 1 A 22 22 VAL CA C 22 64.470 66.050 -1.580 1
1 286 . 9 1 1 A 22 22 VAL CB C 22 30.858 31.549 -0.691 1
1 289 . 9 1 1 A 22 22 VAL N N 22 115.360 119.723 -4.363 1
1 290 . 9 1 1 A 23 23 VAL H H 23 6.843 8.024 -1.181 1
1 291 . 9 1 1 A 23 23 VAL HA H 23 3.387 3.707 -0.320 1
1 299 . 9 1 1 A 23 23 VAL C C 23 176.900 178.428 -1.528 1
1 300 . 9 1 1 A 23 23 VAL CA C 23 67.030 66.925 0.105 1
1 301 . 9 1 1 A 23 23 VAL CB C 23 31.499 31.658 -0.159 1
1 304 . 9 1 1 A 23 23 VAL N N 23 121.150 120.883 0.267 1
1 305 . 9 1 1 A 24 24 LYS H H 24 7.533 7.582 -0.049 1
1 306 . 9 1 1 A 24 24 LYS HA H 24 3.851 4.038 -0.187 1
1 315 . 9 1 1 A 24 24 LYS C C 24 179.820 179.551 0.269 1
1 316 . 9 1 1 A 24 24 LYS CA C 24 60.480 59.946 0.534 1
1 317 . 9 1 1 A 24 24 LYS CB C 24 32.626 32.462 0.164 1
1 321 . 9 1 1 A 24 24 LYS N N 24 120.120 119.902 0.218 1
1 322 . 9 1 1 A 25 25 LEU H H 25 7.870 8.033 -0.163 1
1 323 . 9 1 1 A 25 25 LEU HA H 25 4.097 4.198 -0.101 1
1 333 . 9 1 1 A 25 25 LEU C C 25 180.620 179.543 1.077 1
1 334 . 9 1 1 A 25 25 LEU CA C 25 57.440 57.888 -0.448 1
1 335 . 9 1 1 A 25 25 LEU CB C 25 41.717 41.051 0.666 1
1 339 . 9 1 1 A 25 25 LEU N N 25 117.260 120.133 -2.873 1
1 340 . 9 1 1 A 26 26 LEU H H 26 8.489 8.499 -0.010 1
1 341 . 9 1 1 A 26 26 LEU HA H 26 3.703 3.934 -0.231 1
1 351 . 9 1 1 A 26 26 LEU C C 26 178.820 179.178 -0.358 1
1 352 . 9 1 1 A 26 26 LEU CA C 26 58.310 58.010 0.300 1
1 353 . 9 1 1 A 26 26 LEU CB C 26 42.487 41.540 0.947 1
1 357 . 9 1 1 A 26 26 LEU N N 26 121.760 120.023 1.737 1
1 358 . 9 1 1 A 27 27 LYS H H 27 8.190 7.809 0.381 1
1 359 . 9 1 1 A 27 27 LYS HA H 27 3.799 4.303 -0.504 1
1 368 . 9 1 1 A 27 27 LYS C C 27 177.470 179.152 -1.682 1
1 369 . 9 1 1 A 27 27 LYS CA C 27 60.480 59.832 0.648 1
1 370 . 9 1 1 A 27 27 LYS CB C 27 33.472 32.401 1.071 1
1 374 . 9 1 1 A 27 27 LYS N N 27 117.650 120.506 -2.856 1
1 375 . 9 1 1 A 28 28 GLU H H 28 6.841 7.875 -1.034 1
1 376 . 9 1 1 A 28 28 GLU HA H 28 4.238 4.225 0.013 1
1 381 . 9 1 1 A 28 28 GLU C C 28 177.280 177.645 -0.365 1
1 382 . 9 1 1 A 28 28 GLU CA C 28 57.370 58.974 -1.604 1
1 383 . 9 1 1 A 28 28 GLU CB C 28 30.480 29.393 1.087 1
1 385 . 9 1 1 A 28 28 GLU N N 28 111.940 118.990 -7.050 1
1 386 . 9 1 1 A 29 29 LYS H H 29 7.577 7.637 -0.060 1
1 387 . 9 1 1 A 29 29 LYS HA H 29 4.414 4.448 -0.034 1
1 396 . 9 1 1 A 29 29 LYS C C 29 175.230 176.361 -1.131 1
1 397 . 9 1 1 A 29 29 LYS CA C 29 53.800 55.971 -2.171 1
1 398 . 9 1 1 A 29 29 LYS CB C 29 33.530 33.400 0.130 1
1 402 . 9 1 1 A 29 29 LYS N N 29 115.460 116.420 -0.960 1
1 403 . 9 1 1 A 30 30 ILE H H 30 6.921 7.270 -0.349 1
1 404 . 9 1 1 A 30 30 ILE HA H 30 3.939 4.379 -0.440 1
1 414 . 9 1 1 A 30 30 ILE CA C 30 60.290 59.122 1.168 1
1 415 . 9 1 1 A 30 30 ILE CB C 30 39.967 37.754 2.213 1
1 419 . 9 1 1 A 30 30 ILE N N 30 122.100 120.875 1.225 1
1 420 . 9 1 1 A 31 31 PRO HA H 31 4.840 4.902 -0.062 1
1 427 . 9 1 1 A 31 31 PRO C C 31 175.340 176.735 -1.395 1
1 428 . 9 1 1 A 31 31 PRO CA C 31 62.720 62.359 0.361 1
1 429 . 9 1 1 A 31 31 PRO CB C 31 36.350 33.187 3.163 1
1 432 . 9 1 1 A 32 32 PHE H H 32 7.627 8.548 -0.921 1
1 433 . 9 1 1 A 32 32 PHE HA H 32 4.959 5.203 -0.244 1
1 441 . 9 1 1 A 32 32 PHE C C 32 171.870 172.360 -0.490 1
1 442 . 9 1 1 A 32 32 PHE CA C 32 56.300 55.782 0.518 1
1 443 . 9 1 1 A 32 32 PHE CB C 32 40.253 42.175 -1.922 1
1 447 . 9 1 1 A 32 32 PHE N N 32 112.880 118.401 -5.521 1
1 448 . 9 1 1 A 33 33 GLU H H 33 8.728 8.765 -0.037 1
1 449 . 9 1 1 A 33 33 GLU HA H 33 5.309 5.168 0.141 1
1 454 . 9 1 1 A 33 33 GLU C C 33 175.630 175.041 0.589 1
1 455 . 9 1 1 A 33 33 GLU CA C 33 54.450 54.801 -0.351 1
1 456 . 9 1 1 A 33 33 GLU CB C 33 33.814 32.884 0.930 1
1 458 . 9 1 1 A 33 33 GLU N N 33 118.710 119.525 -0.815 1
1 459 . 9 1 1 A 34 34 SER H H 34 8.964 8.350 0.614 1
1 460 . 9 1 1 A 34 34 SER HA H 34 4.803 4.887 -0.084 1
1 463 . 9 1 1 A 34 34 SER C C 34 174.560 173.201 1.359 1
1 464 . 9 1 1 A 34 34 SER CA C 34 55.830 56.808 -0.978 1
1 465 . 9 1 1 A 34 34 SER CB C 34 64.270 65.778 -1.508 1
1 466 . 9 1 1 A 34 34 SER N N 34 115.150 115.807 -0.657 1
1 467 . 9 1 1 A 35 35 VAL H H 35 8.322 8.754 -0.432 1
1 468 . 9 1 1 A 35 35 VAL HA H 35 4.724 4.133 0.591 1
1 476 . 9 1 1 A 35 35 VAL C C 35 174.950 175.908 -0.958 1
1 477 . 9 1 1 A 35 35 VAL CA C 35 61.350 63.108 -1.758 1
1 478 . 9 1 1 A 35 35 VAL CB C 35 35.676 31.682 3.994 1
1 481 . 9 1 1 A 35 35 VAL N N 35 121.700 123.867 -2.167 1
1 482 . 9 1 1 A 36 36 VAL H H 36 9.200 8.602 0.598 1
1 483 . 9 1 1 A 36 36 VAL HA H 36 3.999 4.112 -0.113 1
1 491 . 9 1 1 A 36 36 VAL C C 36 175.490 175.651 -0.161 1
1 492 . 9 1 1 A 36 36 VAL CA C 36 63.900 62.775 1.125 1
1 493 . 9 1 1 A 36 36 VAL CB C 36 33.593 31.224 2.369 1
1 496 . 9 1 1 A 36 36 VAL N N 36 123.870 127.903 -4.033 1
1 497 . 9 1 1 A 37 37 ASN H H 37 8.739 8.966 -0.227 1
1 498 . 9 1 1 A 37 37 ASN HA H 37 5.276 5.263 0.013 1
1 503 . 9 1 1 A 37 37 ASN C C 37 174.040 175.008 -0.968 1
1 504 . 9 1 1 A 37 37 ASN CA C 37 51.960 51.762 0.198 1
1 505 . 9 1 1 A 37 37 ASN CB C 37 41.996 40.287 1.709 1
1 506 . 9 1 1 A 37 37 ASN N N 37 123.895 126.177 -2.282 1
1 508 . 9 1 1 A 38 38 THR H H 38 8.703 9.110 -0.407 1
1 509 . 9 1 1 A 38 38 THR HA H 38 5.323 5.658 -0.335 1
1 514 . 9 1 1 A 38 38 THR C C 38 174.910 173.750 1.160 1
1 515 . 9 1 1 A 38 38 THR CA C 38 59.740 59.403 0.337 1
1 516 . 9 1 1 A 38 38 THR CB C 38 71.332 72.297 -0.965 1
1 518 . 9 1 1 A 38 38 THR N N 38 111.440 110.451 0.989 1
1 519 . 9 1 1 A 39 39 TRP H H 39 8.489 8.947 -0.458 1
1 520 . 9 1 1 A 39 39 TRP HA H 39 4.838 4.961 -0.123 1
1 529 . 9 1 1 A 39 39 TRP C C 39 175.270 176.264 -0.994 1
1 530 . 9 1 1 A 39 39 TRP CA C 39 57.040 56.733 0.307 1
1 531 . 9 1 1 A 39 39 TRP CB C 39 29.089 31.190 -2.101 1
1 537 . 9 1 1 A 39 39 TRP N N 39 125.321 123.871 1.450 1
1 539 . 9 1 1 A 40 40 GLY H H 40 8.596 9.020 -0.424 1
1 540 . 9 1 1 A 40 40 GLY HA2 H 40 3.528 3.648 -0.120 1
1 541 . 9 1 1 A 40 40 GLY HA3 H 40 3.465 3.743 -0.278 1
1 542 . 9 1 1 A 40 40 GLY CA C 40 47.619 47.220 0.399 1
1 543 . 9 1 1 A 40 40 GLY N N 40 113.220 116.615 -3.395 1
1 544 . 9 1 1 A 41 41 GLU H H 41 7.870 8.365 -0.495 1
1 545 . 9 1 1 A 41 41 GLU HA H 41 3.717 4.082 -0.365 1
1 550 . 9 1 1 A 41 41 GLU C C 41 171.810 174.808 -2.998 1
1 551 . 9 1 1 A 41 41 GLU CA C 41 55.390 55.036 0.354 1
1 552 . 9 1 1 A 41 41 GLU CB C 41 26.025 30.460 -4.435 1
1 554 . 9 1 1 A 41 41 GLU N N 41 128.227 124.412 3.815 1
1 555 . 9 1 1 A 42 42 GLU H H 42 7.158 7.806 -0.648 1
1 556 . 9 1 1 A 42 42 GLU HA H 42 4.811 5.026 -0.215 1
1 561 . 9 1 1 A 42 42 GLU C C 42 175.680 174.329 1.351 1
1 562 . 9 1 1 A 42 42 GLU CA C 42 53.860 54.458 -0.598 1
1 563 . 9 1 1 A 42 42 GLU CB C 42 31.149 33.459 -2.310 1
1 565 . 9 1 1 A 42 42 GLU N N 42 116.880 116.630 0.250 1
1 566 . 9 1 1 A 43 43 ILE H H 43 8.226 8.561 -0.335 1
1 567 . 9 1 1 A 43 43 ILE HA H 43 4.934 5.341 -0.407 1
1 577 . 9 1 1 A 43 43 ILE C C 43 174.420 174.628 -0.208 1
1 578 . 9 1 1 A 43 43 ILE CA C 43 59.250 60.223 -0.973 1
1 579 . 9 1 1 A 43 43 ILE CB C 43 43.278 40.720 2.558 1
1 583 . 9 1 1 A 43 43 ILE N N 43 125.120 122.185 2.935 1
1 584 . 9 1 1 A 44 44 TYR H H 44 9.318 9.080 0.238 1
1 585 . 9 1 1 A 44 44 TYR HA H 44 6.008 5.458 0.550 1
1 592 . 9 1 1 A 44 44 TYR C C 44 174.150 173.112 1.038 1
1 593 . 9 1 1 A 44 44 TYR CA C 44 55.740 55.488 0.252 1
1 594 . 9 1 1 A 44 44 TYR CB C 44 42.606 41.652 0.954 1
1 597 . 9 1 1 A 44 44 TYR N N 44 124.370 122.811 1.559 1
1 598 . 9 1 1 A 45 45 PHE H H 45 8.211 8.813 -0.602 1
1 599 . 9 1 1 A 45 45 PHE HA H 45 5.088 5.317 -0.229 1
1 607 . 9 1 1 A 45 45 PHE C C 45 173.730 173.103 0.627 1
1 608 . 9 1 1 A 45 45 PHE CA C 45 55.140 55.615 -0.475 1
1 609 . 9 1 1 A 45 45 PHE CB C 45 40.793 42.280 -1.487 1
1 613 . 9 1 1 A 45 45 PHE N N 45 114.110 117.119 -3.009 1
1 614 . 9 1 1 A 46 46 SER H H 46 9.523 8.959 0.564 1
1 615 . 9 1 1 A 46 46 SER HA H 46 4.316 4.758 -0.442 1
1 618 . 9 1 1 A 46 46 SER C C 46 174.360 174.430 -0.070 1
1 619 . 9 1 1 A 46 46 SER CA C 46 59.960 58.434 1.526 1
1 620 . 9 1 1 A 46 46 SER CB C 46 63.980 62.420 1.560 1
1 621 . 9 1 1 A 46 46 SER N N 46 117.150 117.492 -0.342 1
1 622 . 9 1 1 A 47 47 THR H H 47 8.225 8.331 -0.106 1
1 623 . 9 1 1 A 47 47 THR HA H 47 4.971 4.725 0.246 1
1 628 . 9 1 1 A 47 47 THR CA C 47 59.160 60.651 -1.491 1
1 629 . 9 1 1 A 47 47 THR CB C 47 70.385 68.956 1.429 1
1 631 . 9 1 1 A 47 47 THR N N 47 113.910 119.589 -5.679 1
1 632 . 9 1 1 A 48 48 PRO HA H 48 4.585 4.276 0.309 1
1 639 . 9 1 1 A 48 48 PRO C C 48 175.940 176.580 -0.640 1
1 640 . 9 1 1 A 48 48 PRO CA C 48 62.410 65.076 -2.666 1
1 641 . 9 1 1 A 48 48 PRO CB C 48 31.770 31.684 0.086 1
1 644 . 9 1 1 A 49 49 VAL H H 49 7.458 7.478 -0.020 1
1 645 . 9 1 1 A 49 49 VAL HA H 49 4.178 3.997 0.181 1
1 653 . 9 1 1 A 49 49 VAL C C 49 174.070 175.446 -1.376 1
1 654 . 9 1 1 A 49 49 VAL CA C 49 60.840 62.282 -1.442 1
1 655 . 9 1 1 A 49 49 VAL CB C 49 34.134 32.143 1.991 1
1 658 . 9 1 1 A 49 49 VAL N N 49 114.800 117.957 -3.157 1
1 659 . 9 1 1 A 50 50 ASN H H 50 8.897 9.017 -0.120 1
1 660 . 9 1 1 A 50 50 ASN HA H 50 4.684 5.200 -0.516 1
1 665 . 9 1 1 A 50 50 ASN C C 50 173.550 175.311 -1.761 1
1 666 . 9 1 1 A 50 50 ASN CA C 50 51.610 52.069 -0.459 1
1 667 . 9 1 1 A 50 50 ASN CB C 50 39.730 38.401 1.329 1
1 668 . 9 1 1 A 50 50 ASN N N 50 126.400 124.709 1.691 1
1 670 . 9 1 1 A 51 51 VAL H H 51 7.587 8.027 -0.440 1
1 671 . 9 1 1 A 51 51 VAL HA H 51 4.148 4.262 -0.114 1
1 679 . 9 1 1 A 51 51 VAL C C 51 174.350 175.767 -1.417 1
1 680 . 9 1 1 A 51 51 VAL CA C 51 61.280 60.554 0.726 1
1 681 . 9 1 1 A 51 51 VAL CB C 51 35.206 33.796 1.410 1
1 684 . 9 1 1 A 51 51 VAL N N 51 122.670 117.400 5.270 1
1 685 . 9 1 1 A 52 52 GLN H H 52 8.337 8.636 -0.299 1
1 686 . 9 1 1 A 52 52 GLN HA H 52 4.094 4.985 -0.891 1
1 693 . 9 1 1 A 52 52 GLN C C 52 176.240 175.897 0.343 1
1 694 . 9 1 1 A 52 52 GLN CA C 52 56.560 55.230 1.330 1
1 695 . 9 1 1 A 52 52 GLN CB C 52 29.745 29.674 0.071 1
1 697 . 9 1 1 A 52 52 GLN N N 52 122.670 119.510 3.160 1
1 699 . 9 1 1 A 53 53 LYS H H 53 7.363 7.533 -0.170 1
1 700 . 9 1 1 A 53 53 LYS HA H 53 3.994 4.282 -0.288 1
1 709 . 9 1 1 A 53 53 LYS C C 53 176.010 175.796 0.214 1
1 710 . 9 1 1 A 53 53 LYS CA C 53 56.960 56.685 0.275 1
1 711 . 9 1 1 A 53 53 LYS CB C 53 33.000 33.076 -0.076 1
1 715 . 9 1 1 A 53 53 LYS N N 53 119.940 122.712 -2.772 1
1 716 . 9 1 1 A 54 54 MET H H 54 8.797 8.421 0.376 1
1 717 . 9 1 1 A 54 54 MET HA H 54 4.449 5.056 -0.607 1
1 725 . 9 1 1 A 54 54 MET C C 54 174.630 175.895 -1.265 1
1 726 . 9 1 1 A 54 54 MET CA C 54 54.530 53.885 0.645 1
1 727 . 9 1 1 A 54 54 MET CB C 54 36.912 33.740 3.172 1
1 730 . 9 1 1 A 54 54 MET N N 54 124.720 122.908 1.812 1
1 731 . 9 1 1 A 55 55 GLU H H 55 9.773 8.578 1.195 1
1 732 . 9 1 1 A 55 55 GLU HA H 55 4.029 4.296 -0.267 1
1 737 . 9 1 1 A 55 55 GLU C C 55 176.930 177.045 -0.115 1
1 738 . 9 1 1 A 55 55 GLU CA C 55 59.910 58.865 1.045 1
1 739 . 9 1 1 A 55 55 GLU CB C 55 29.611 30.696 -1.085 1
1 741 . 9 1 1 A 55 55 GLU N N 55 124.250 124.004 0.246 1
1 742 . 9 1 1 A 56 56 ASN H H 56 8.371 7.915 0.456 1
1 743 . 9 1 1 A 56 56 ASN HA H 56 5.163 4.870 0.293 1
1 748 . 9 1 1 A 56 56 ASN CA C 56 50.680 50.670 0.010 1
1 749 . 9 1 1 A 56 56 ASN CB C 56 39.563 38.194 1.369 1
1 750 . 9 1 1 A 56 56 ASN N N 56 115.600 114.594 1.006 1
1 752 . 9 1 1 A 57 57 PRO HA H 57 4.854 5.004 -0.150 1
1 759 . 9 1 1 A 57 57 PRO C C 57 178.760 175.922 2.838 1
1 760 . 9 1 1 A 57 57 PRO CA C 57 62.630 62.885 -0.255 1
1 761 . 9 1 1 A 57 57 PRO CB C 57 32.197 32.938 -0.741 1
1 764 . 9 1 1 A 58 58 ARG H H 58 9.448 8.368 1.080 1
1 765 . 9 1 1 A 58 58 ARG HA H 58 4.636 4.745 -0.109 1
1 773 . 9 1 1 A 58 58 ARG C C 58 175.430 175.513 -0.083 1
1 774 . 9 1 1 A 58 58 ARG CA C 58 54.210 54.420 -0.210 1
1 775 . 9 1 1 A 58 58 ARG CB C 58 34.208 35.144 -0.936 1
1 778 . 9 1 1 A 58 58 ARG N N 58 122.690 121.280 1.410 1
1 780 . 9 1 1 A 59 59 GLU H H 59 8.694 8.820 -0.126 1
1 781 . 9 1 1 A 59 59 GLU HA H 59 4.096 4.636 -0.540 1
1 786 . 9 1 1 A 59 59 GLU C C 59 175.210 175.545 -0.335 1
1 787 . 9 1 1 A 59 59 GLU CA C 59 56.470 56.321 0.149 1
1 788 . 9 1 1 A 59 59 GLU CB C 59 31.074 30.663 0.411 1
1 790 . 9 1 1 A 59 59 GLU N N 59 119.520 119.638 -0.118 1
1 791 . 9 1 1 A 60 60 VAL H H 60 7.296 7.582 -0.286 1
1 792 . 9 1 1 A 60 60 VAL HA H 60 4.471 4.787 -0.316 1
1 800 . 9 1 1 A 60 60 VAL C C 60 174.900 174.871 0.029 1
1 801 . 9 1 1 A 60 60 VAL CA C 60 61.058 60.264 0.794 1
1 802 . 9 1 1 A 60 60 VAL CB C 60 35.056 36.349 -1.293 1
1 805 . 9 1 1 A 60 60 VAL N N 60 117.380 119.499 -2.119 1
1 806 . 9 1 1 A 61 61 VAL H H 61 8.064 8.548 -0.484 1
1 807 . 9 1 1 A 61 61 VAL HA H 61 4.540 4.984 -0.444 1
1 815 . 9 1 1 A 61 61 VAL C C 61 172.880 174.751 -1.871 1
1 816 . 9 1 1 A 61 61 VAL CA C 61 58.820 58.980 -0.160 1
1 817 . 9 1 1 A 61 61 VAL CB C 61 33.464 36.115 -2.651 1
1 820 . 9 1 1 A 61 61 VAL N N 61 117.630 119.570 -1.940 1
1 821 . 9 1 1 A 62 62 GLU H H 62 8.620 8.904 -0.284 1
1 822 . 9 1 1 A 62 62 GLU HA H 62 4.543 4.617 -0.074 1
1 827 . 9 1 1 A 62 62 GLU C C 62 176.350 177.334 -0.984 1
1 828 . 9 1 1 A 62 62 GLU CA C 62 53.640 55.290 -1.650 1
1 829 . 9 1 1 A 62 62 GLU CB C 62 32.360 31.414 0.946 1
1 831 . 9 1 1 A 62 62 GLU N N 62 118.060 120.332 -2.272 1
1 832 . 9 1 1 A 63 63 ILE H H 63 8.520 8.412 0.108 1
1 833 . 9 1 1 A 63 63 ILE HA H 63 3.275 4.398 -1.123 1
1 843 . 9 1 1 A 63 63 ILE C C 63 177.940 176.424 1.516 1
1 844 . 9 1 1 A 63 63 ILE CA C 63 64.410 61.634 2.776 1
1 845 . 9 1 1 A 63 63 ILE CB C 63 37.674 38.636 -0.962 1
1 849 . 9 1 1 A 63 63 ILE N N 63 120.310 120.268 0.042 1
1 850 . 9 1 1 A 64 64 GLY H H 64 9.091 7.938 1.153 1
1 851 . 9 1 1 A 64 64 GLY HA2 H 64 3.563 4.295 -0.732 1
1 852 . 9 1 1 A 64 64 GLY HA3 H 64 4.774 4.332 0.442 1
1 853 . 9 1 1 A 64 64 GLY C C 64 173.290 172.013 1.277 1
1 854 . 9 1 1 A 64 64 GLY CA C 64 45.359 45.560 -0.201 1
1 855 . 9 1 1 A 64 64 GLY N N 64 116.340 108.488 7.852 1
1 856 . 9 1 1 A 65 65 ASP H H 65 8.335 8.812 -0.477 1
1 857 . 9 1 1 A 65 65 ASP HA H 65 4.914 5.376 -0.462 1
1 860 . 9 1 1 A 65 65 ASP C C 65 175.180 174.594 0.586 1
1 861 . 9 1 1 A 65 65 ASP CA C 65 56.630 52.496 4.134 1
1 862 . 9 1 1 A 65 65 ASP CB C 65 41.980 45.793 -3.813 1
1 863 . 9 1 1 A 65 65 ASP N N 65 121.610 124.565 -2.955 1
1 864 . 9 1 1 A 66 66 VAL H H 66 7.580 8.589 -1.009 1
1 865 . 9 1 1 A 66 66 VAL HA H 66 5.085 4.985 0.100 1
1 873 . 9 1 1 A 66 66 VAL C C 66 176.170 174.579 1.591 1
1 874 . 9 1 1 A 66 66 VAL CA C 66 60.240 59.626 0.614 1
1 875 . 9 1 1 A 66 66 VAL CB C 66 33.783 35.987 -2.204 1
1 878 . 9 1 1 A 66 66 VAL N N 66 117.330 115.046 2.284 1
1 879 . 9 1 1 A 67 67 GLY H H 67 9.592 8.253 1.339 1
1 880 . 9 1 1 A 67 67 GLY HA2 H 67 5.899 4.366 1.533 1
1 881 . 9 1 1 A 67 67 GLY HA3 H 67 3.200 4.447 -1.247 1
1 882 . 9 1 1 A 67 67 GLY C C 67 171.740 172.597 -0.857 1
1 883 . 9 1 1 A 67 67 GLY CA C 67 43.580 45.564 -1.984 1
1 884 . 9 1 1 A 67 67 GLY N N 67 111.440 108.706 2.734 1
1 885 . 9 1 1 A 68 68 TYR H H 68 9.146 9.139 0.007 1
1 886 . 9 1 1 A 68 68 TYR HA H 68 5.809 4.838 0.971 1
1 889 . 9 1 1 A 68 68 TYR C C 68 173.860 175.208 -1.348 1
1 890 . 9 1 1 A 68 68 TYR CA C 68 55.900 58.170 -2.270 1
1 891 . 9 1 1 A 68 68 TYR CB C 68 42.170 39.675 2.495 1
1 892 . 9 1 1 A 68 68 TYR N N 68 119.980 120.474 -0.494 1
1 893 . 9 1 1 A 69 69 TRP H H 69 9.213 8.583 0.630 1
1 894 . 9 1 1 A 69 69 TRP HA H 69 5.268 4.741 0.527 1
1 902 . 9 1 1 A 69 69 TRP CA C 69 53.390 55.180 -1.790 1
1 903 . 9 1 1 A 69 69 TRP CB C 69 30.442 30.373 0.069 1
1 908 . 9 1 1 A 69 69 TRP N N 69 132.150 123.509 8.641 1
1 910 . 9 1 1 A 70 70 PRO HA H 70 3.923 4.206 -0.283 1
1 917 . 9 1 1 A 70 70 PRO CA C 70 66.753 64.427 2.326 1
1 918 . 9 1 1 A 70 70 PRO CB C 70 30.054 31.893 -1.839 1
1 921 . 9 1 1 A 71 71 PRO HA H 71 3.716 4.067 -0.351 1
1 928 . 9 1 1 A 71 71 PRO CA C 71 65.803 64.573 1.230 1
1 929 . 9 1 1 A 71 71 PRO CB C 71 30.620 30.689 -0.069 1
1 932 . 9 1 1 A 72 72 GLY HA2 H 72 3.168 3.947 -0.779 1
1 933 . 9 1 1 A 72 72 GLY HA3 H 72 4.271 4.161 0.110 1
1 934 . 9 1 1 A 72 72 GLY C C 72 173.220 173.610 -0.390 1
1 935 . 9 1 1 A 72 72 GLY CA C 72 44.350 45.065 -0.715 1
1 936 . 9 1 1 A 73 73 LYS H H 73 7.989 7.732 0.257 1
1 937 . 9 1 1 A 73 73 LYS HA H 73 3.566 3.822 -0.256 1
1 946 . 9 1 1 A 73 73 LYS C C 73 177.420 174.889 2.531 1
1 947 . 9 1 1 A 73 73 LYS CA C 73 57.790 57.142 0.648 1
1 948 . 9 1 1 A 73 73 LYS CB C 73 29.398 29.977 -0.579 1
1 952 . 9 1 1 A 73 73 LYS N N 73 121.515 115.967 5.548 1
1 953 . 9 1 1 A 74 74 ALA H H 74 6.969 7.818 -0.849 1
1 954 . 9 1 1 A 74 74 ALA HA H 74 5.123 5.277 -0.154 1
1 958 . 9 1 1 A 74 74 ALA C C 74 177.490 175.730 1.760 1
1 959 . 9 1 1 A 74 74 ALA CA C 74 51.900 50.489 1.411 1
1 960 . 9 1 1 A 74 74 ALA CB C 74 23.090 23.064 0.026 1
1 961 . 9 1 1 A 74 74 ALA N N 74 118.780 118.945 -0.165 1
1 962 . 9 1 1 A 75 75 LEU H H 75 8.032 8.107 -0.075 1
1 963 . 9 1 1 A 75 75 LEU HA H 75 4.844 5.026 -0.182 1
1 973 . 9 1 1 A 75 75 LEU C C 75 175.540 175.231 0.309 1
1 974 . 9 1 1 A 75 75 LEU CA C 75 54.000 53.769 0.231 1
1 975 . 9 1 1 A 75 75 LEU CB C 75 43.858 43.487 0.371 1
1 979 . 9 1 1 A 75 75 LEU N N 75 122.780 118.741 4.039 1
1 980 . 9 1 1 A 76 76 CYS H H 76 8.813 8.302 0.511 1
1 981 . 9 1 1 A 76 76 CYS HA H 76 5.178 5.100 0.078 1
1 984 . 9 1 1 A 76 76 CYS C C 76 173.080 172.852 0.228 1
1 985 . 9 1 1 A 76 76 CYS CA C 76 55.850 57.692 -1.842 1
1 986 . 9 1 1 A 76 76 CYS CB C 76 31.922 31.168 0.754 1
1 987 . 9 1 1 A 76 76 CYS N N 76 117.950 119.005 -1.055 1
1 988 . 9 1 1 A 77 77 LEU H H 77 9.621 8.740 0.881 1
1 989 . 9 1 1 A 77 77 LEU HA H 77 4.741 4.895 -0.154 1
1 999 . 9 1 1 A 77 77 LEU C C 77 175.040 175.619 -0.579 1
1 1000 . 9 1 1 A 77 77 LEU CA C 77 53.510 53.221 0.289 1
1 1001 . 9 1 1 A 77 77 LEU CB C 77 44.058 43.947 0.111 1
1 1005 . 9 1 1 A 77 77 LEU N N 77 123.140 123.984 -0.844 1
1 1006 . 9 1 1 A 78 78 PHE H H 78 7.930 8.518 -0.588 1
1 1007 . 9 1 1 A 78 78 PHE HA H 78 4.809 4.909 -0.100 1
1 1015 . 9 1 1 A 78 78 PHE C C 78 174.830 175.640 -0.810 1
1 1016 . 9 1 1 A 78 78 PHE CA C 78 58.140 56.289 1.851 1
1 1017 . 9 1 1 A 78 78 PHE CB C 78 39.603 41.210 -1.607 1
1 1021 . 9 1 1 A 78 78 PHE N N 78 120.120 123.923 -3.803 1
1 1022 . 9 1 1 A 79 79 PHE H H 79 8.038 8.515 -0.477 1
1 1023 . 9 1 1 A 79 79 PHE HA H 79 5.029 5.118 -0.089 1
1 1031 . 9 1 1 A 79 79 PHE C C 79 172.070 175.103 -3.033 1
1 1032 . 9 1 1 A 79 79 PHE CA C 79 55.630 56.363 -0.733 1
1 1033 . 9 1 1 A 79 79 PHE CB C 79 39.003 39.554 -0.551 1
1 1037 . 9 1 1 A 79 79 PHE N N 79 119.040 118.219 0.821 1
1 1038 . 9 1 1 A 80 80 GLY H H 80 7.489 7.526 -0.037 1
1 1039 . 9 1 1 A 80 80 GLY HA2 H 80 3.653 4.143 -0.490 1
1 1040 . 9 1 1 A 80 80 GLY HA3 H 80 4.283 4.210 0.073 1
1 1041 . 9 1 1 A 80 80 GLY C C 80 170.830 173.456 -2.626 1
1 1042 . 9 1 1 A 80 80 GLY CA C 80 45.342 46.149 -0.807 1
1 1043 . 9 1 1 A 80 80 GLY N N 80 110.010 108.789 1.221 1
1 1044 . 9 1 1 A 81 81 LYS H H 81 8.186 8.711 -0.525 1
1 1045 . 9 1 1 A 81 81 LYS HA H 81 4.003 4.471 -0.468 1
1 1054 . 9 1 1 A 81 81 LYS C C 81 177.530 175.921 1.609 1
1 1055 . 9 1 1 A 81 81 LYS CA C 81 57.730 55.105 2.625 1
1 1056 . 9 1 1 A 81 81 LYS CB C 81 33.293 33.468 -0.175 1
1 1060 . 9 1 1 A 81 81 LYS N N 81 117.260 125.110 -7.850 1
1 1061 . 9 1 1 A 82 82 THR H H 82 8.076 7.942 0.134 1
1 1062 . 9 1 1 A 82 82 THR HA H 82 4.423 4.262 0.161 1
1 1067 . 9 1 1 A 82 82 THR CA C 82 59.230 61.961 -2.731 1
1 1068 . 9 1 1 A 82 82 THR CB C 82 68.310 67.728 0.582 1
1 1070 . 9 1 1 A 82 82 THR N N 82 113.611 113.477 0.134 1
1 1071 . 9 1 1 A 83 83 PRO HA H 83 4.090 4.306 -0.216 1
1 1078 . 9 1 1 A 83 83 PRO CA C 83 63.743 63.612 0.131 1
1 1079 . 9 1 1 A 83 83 PRO CB C 83 32.167 32.378 -0.211 1
1 1082 . 9 1 1 A 84 84 MET HA H 84 4.220 4.589 -0.369 1
1 1090 . 9 1 1 A 84 84 MET C C 84 175.920 174.121 1.799 1
1 1091 . 9 1 1 A 84 84 MET CA C 84 55.880 54.135 1.745 1
1 1092 . 9 1 1 A 84 84 MET CB C 84 33.070 32.728 0.342 1
1 1095 . 9 1 1 A 85 85 SER H H 85 7.256 7.894 -0.638 1
1 1096 . 9 1 1 A 85 85 SER HA H 85 4.401 4.626 -0.225 1
1 1099 . 9 1 1 A 85 85 SER C C 85 173.380 173.276 0.104 1
1 1100 . 9 1 1 A 85 85 SER CA C 85 58.230 57.398 0.832 1
1 1101 . 9 1 1 A 85 85 SER CB C 85 64.290 65.683 -1.393 1
1 1102 . 9 1 1 A 85 85 SER N N 85 111.370 114.239 -2.869 1
1 1103 . 9 1 1 A 86 86 ASP H H 86 8.517 8.783 -0.266 1
1 1104 . 9 1 1 A 86 86 ASP HA H 86 4.692 4.721 -0.029 1
1 1107 . 9 1 1 A 86 86 ASP C C 86 175.860 177.236 -1.376 1
1 1108 . 9 1 1 A 86 86 ASP CA C 86 54.150 55.635 -1.485 1
1 1109 . 9 1 1 A 86 86 ASP CB C 86 41.360 43.167 -1.807 1
1 1110 . 9 1 1 A 86 86 ASP N N 86 123.320 121.838 1.482 1
1 1111 . 9 1 1 A 87 87 ASP H H 87 8.412 8.471 -0.059 1
1 1112 . 9 1 1 A 87 87 ASP HA H 87 4.529 4.610 -0.081 1
1 1115 . 9 1 1 A 87 87 ASP C C 87 175.270 176.764 -1.494 1
1 1116 . 9 1 1 A 87 87 ASP CA C 87 54.870 56.011 -1.141 1
1 1117 . 9 1 1 A 87 87 ASP CB C 87 41.580 41.647 -0.067 1
1 1118 . 9 1 1 A 87 87 ASP N N 87 118.900 118.172 0.728 1
1 1119 . 9 1 1 A 88 88 LYS H H 88 7.869 7.624 0.245 1
1 1120 . 9 1 1 A 88 88 LYS HA H 88 4.372 4.861 -0.489 1
1 1129 . 9 1 1 A 88 88 LYS C C 88 174.870 175.463 -0.593 1
1 1130 . 9 1 1 A 88 88 LYS CA C 88 54.580 54.340 0.240 1
1 1131 . 9 1 1 A 88 88 LYS CB C 88 34.047 35.722 -1.675 1
1 1135 . 9 1 1 A 88 88 LYS N N 88 118.310 113.120 5.190 1
1 1136 . 9 1 1 A 89 89 ILE H H 89 8.604 8.557 0.047 1
1 1137 . 9 1 1 A 89 89 ILE HA H 89 3.873 4.130 -0.257 1
1 1147 . 9 1 1 A 89 89 ILE C C 89 174.480 175.758 -1.278 1
1 1148 . 9 1 1 A 89 89 ILE CA C 89 61.890 61.518 0.372 1
1 1149 . 9 1 1 A 89 89 ILE CB C 89 36.398 37.261 -0.863 1
1 1153 . 9 1 1 A 89 89 ILE N N 89 121.510 121.476 0.034 1
1 1154 . 9 1 1 A 90 90 GLN H H 90 8.015 8.741 -0.726 1
1 1155 . 9 1 1 A 90 90 GLN HA H 90 5.033 4.607 0.426 1
1 1162 . 9 1 1 A 90 90 GLN CA C 90 52.110 52.195 -0.085 1
1 1163 . 9 1 1 A 90 90 GLN CB C 90 32.045 30.383 1.662 1
1 1165 . 9 1 1 A 90 90 GLN N N 90 126.430 126.399 0.031 1
1 1167 . 9 1 1 A 91 91 PRO HA H 91 4.508 4.407 0.101 1
1 1174 . 9 1 1 A 91 91 PRO C C 91 175.210 177.109 -1.899 1
1 1175 . 9 1 1 A 91 91 PRO CA C 91 61.680 62.504 -0.824 1
1 1176 . 9 1 1 A 91 91 PRO CB C 91 32.854 32.863 -0.009 1
1 1179 . 9 1 1 A 92 92 ALA H H 92 8.014 8.573 -0.559 1
1 1180 . 9 1 1 A 92 92 ALA HA H 92 3.931 4.345 -0.414 1
1 1184 . 9 1 1 A 92 92 ALA CA C 92 55.270 54.712 0.558 1
1 1185 . 9 1 1 A 92 92 ALA CB C 92 18.838 19.580 -0.742 1
1 1186 . 9 1 1 A 92 92 ALA N N 92 121.420 122.440 -1.020 1
1 1187 . 9 1 1 A 93 93 SER H H 93 7.391 7.805 -0.414 1
1 1188 . 9 1 1 A 93 93 SER HA H 93 4.223 4.758 -0.535 1
1 1191 . 9 1 1 A 93 93 SER C C 93 171.670 172.911 -1.241 1
1 1192 . 9 1 1 A 93 93 SER CA C 93 57.240 56.470 0.770 1
1 1193 . 9 1 1 A 93 93 SER CB C 93 63.620 66.233 -2.613 1
1 1194 . 9 1 1 A 93 93 SER N N 93 105.210 110.550 -5.340 1
1 1195 . 9 1 1 A 94 94 ALA H H 94 8.276 8.430 -0.154 1
1 1196 . 9 1 1 A 94 94 ALA HA H 94 4.113 4.497 -0.384 1
1 1200 . 9 1 1 A 94 94 ALA C C 94 177.150 176.970 0.180 1
1 1201 . 9 1 1 A 94 94 ALA CA C 94 53.810 52.208 1.602 1
1 1202 . 9 1 1 A 94 94 ALA CB C 94 19.219 18.684 0.535 1
1 1203 . 9 1 1 A 94 94 ALA N N 94 117.972 125.230 -7.258 1
1 1204 . 9 1 1 A 95 95 VAL H H 95 7.886 8.524 -0.638 1
1 1205 . 9 1 1 A 95 95 VAL HA H 95 5.037 4.584 0.453 1
1 1213 . 9 1 1 A 95 95 VAL C C 95 174.060 174.711 -0.651 1
1 1214 . 9 1 1 A 95 95 VAL CA C 95 57.510 61.009 -3.499 1
1 1215 . 9 1 1 A 95 95 VAL CB C 95 35.106 33.768 1.338 1
1 1218 . 9 1 1 A 95 95 VAL N N 95 108.410 119.789 -11.379 1
1 1219 . 9 1 1 A 96 96 ASN H H 96 9.178 8.964 0.214 1
1 1220 . 9 1 1 A 96 96 ASN HA H 96 4.897 5.376 -0.479 1
1 1225 . 9 1 1 A 96 96 ASN C C 96 176.600 173.709 2.891 1
1 1226 . 9 1 1 A 96 96 ASN CA C 96 50.790 51.559 -0.769 1
1 1227 . 9 1 1 A 96 96 ASN CB C 96 39.637 41.972 -2.335 1
1 1228 . 9 1 1 A 96 96 ASN N N 96 121.250 119.769 1.481 1
1 1230 . 9 1 1 A 97 97 VAL H H 97 8.503 8.689 -0.186 1
1 1231 . 9 1 1 A 97 97 VAL HA H 97 4.421 4.187 0.234 1
1 1239 . 9 1 1 A 97 97 VAL C C 97 176.450 176.549 -0.099 1
1 1240 . 9 1 1 A 97 97 VAL CA C 97 66.030 61.673 4.357 1
1 1241 . 9 1 1 A 97 97 VAL CB C 97 30.552 29.193 1.359 1
1 1244 . 9 1 1 A 97 97 VAL N N 97 129.670 126.200 3.470 1
1 1245 . 9 1 1 A 98 98 ILE H H 98 8.129 7.777 0.352 1
1 1246 . 9 1 1 A 98 98 ILE HA H 98 4.628 3.596 1.032 1
1 1256 . 9 1 1 A 98 98 ILE C C 98 174.270 176.045 -1.775 1
1 1257 . 9 1 1 A 98 98 ILE CA C 98 61.240 62.562 -1.322 1
1 1258 . 9 1 1 A 98 98 ILE CB C 98 39.812 37.863 1.949 1
1 1262 . 9 1 1 A 98 98 ILE N N 98 119.500 121.350 -1.850 1
1 1263 . 9 1 1 A 99 99 GLY H H 99 7.668 7.844 -0.176 1
1 1264 . 9 1 1 A 99 99 GLY HA2 H 99 4.435 4.113 0.322 1
1 1265 . 9 1 1 A 99 99 GLY HA3 H 99 4.637 4.126 0.511 1
1 1266 . 9 1 1 A 99 99 GLY C C 99 172.410 172.241 0.169 1
1 1267 . 9 1 1 A 99 99 GLY CA C 99 46.906 44.549 2.357 1
1 1268 . 9 1 1 A 99 99 GLY N N 99 107.230 111.395 -4.165 1
1 1269 . 9 1 1 A 100 100 LYS H H 100 8.347 8.334 0.013 1
1 1270 . 9 1 1 A 100 100 LYS HA H 100 5.540 4.939 0.601 1
1 1279 . 9 1 1 A 100 100 LYS C C 100 175.740 174.926 0.814 1
1 1280 . 9 1 1 A 100 100 LYS CA C 100 54.150 55.377 -1.227 1
1 1281 . 9 1 1 A 100 100 LYS CB C 100 37.900 36.449 1.451 1
1 1285 . 9 1 1 A 100 100 LYS N N 100 119.730 120.547 -0.817 1
1 1286 . 9 1 1 A 101 101 ILE H H 101 9.542 8.930 0.612 1
1 1287 . 9 1 1 A 101 101 ILE HA H 101 4.184 4.130 0.054 1
1 1297 . 9 1 1 A 101 101 ILE C C 101 176.010 177.578 -1.568 1
1 1298 . 9 1 1 A 101 101 ILE CA C 101 62.940 62.190 0.750 1
1 1299 . 9 1 1 A 101 101 ILE CB C 101 39.212 36.825 2.387 1
1 1303 . 9 1 1 A 101 101 ILE N N 101 124.050 127.746 -3.696 1
1 1304 . 9 1 1 A 102 102 VAL H H 102 8.728 8.443 0.285 1
1 1305 . 9 1 1 A 102 102 VAL HA H 102 4.591 4.115 0.476 1
1 1313 . 9 1 1 A 102 102 VAL C C 102 175.730 175.885 -0.155 1
1 1314 . 9 1 1 A 102 102 VAL CA C 102 62.030 63.850 -1.820 1
1 1315 . 9 1 1 A 102 102 VAL CB C 102 33.307 32.260 1.047 1
1 1318 . 9 1 1 A 102 102 VAL N N 102 121.420 125.111 -3.691 1
1 1319 . 9 1 1 A 103 103 GLU H H 103 7.912 7.598 0.314 1
1 1320 . 9 1 1 A 103 103 GLU HA H 103 4.661 4.556 0.105 1
1 1325 . 9 1 1 A 103 103 GLU C C 103 176.520 175.615 0.905 1
1 1326 . 9 1 1 A 103 103 GLU CA C 103 56.550 55.464 1.086 1
1 1327 . 9 1 1 A 103 103 GLU CB C 103 34.180 33.609 0.571 1
1 1329 . 9 1 1 A 103 103 GLU N N 103 120.750 119.879 0.871 1
1 1330 . 9 1 1 A 104 104 GLY H H 104 8.934 8.776 0.158 1
1 1331 . 9 1 1 A 104 104 GLY HA2 H 104 3.932 3.979 -0.047 1
1 1332 . 9 1 1 A 104 104 GLY HA3 H 104 4.345 3.997 0.348 1
1 1333 . 9 1 1 A 104 104 GLY C C 104 175.230 175.369 -0.139 1
1 1334 . 9 1 1 A 104 104 GLY CA C 104 46.616 46.733 -0.117 1
1 1335 . 9 1 1 A 104 104 GLY N N 104 111.140 111.148 -0.008 1
1 1336 . 9 1 1 A 105 105 LEU H H 105 8.158 7.891 0.267 1
1 1337 . 9 1 1 A 105 105 LEU HA H 105 3.702 3.835 -0.133 1
1 1347 . 9 1 1 A 105 105 LEU C C 105 179.250 178.318 0.932 1
1 1348 . 9 1 1 A 105 105 LEU CA C 105 59.400 57.833 1.567 1
1 1349 . 9 1 1 A 105 105 LEU CB C 105 42.743 42.267 0.476 1
1 1353 . 9 1 1 A 105 105 LEU N N 105 121.390 122.150 -0.760 1
1 1354 . 9 1 1 A 106 106 GLU H H 106 8.944 8.319 0.625 1
1 1355 . 9 1 1 A 106 106 GLU HA H 106 3.978 4.083 -0.105 1
1 1360 . 9 1 1 A 106 106 GLU C C 106 178.120 177.358 0.762 1
1 1361 . 9 1 1 A 106 106 GLU CA C 106 58.720 58.498 0.222 1
1 1362 . 9 1 1 A 106 106 GLU CB C 106 28.920 28.556 0.364 1
1 1364 . 9 1 1 A 106 106 GLU N N 106 113.860 117.136 -3.276 1
1 1365 . 9 1 1 A 107 107 ASP H H 107 7.538 8.007 -0.469 1
1 1366 . 9 1 1 A 107 107 ASP HA H 107 4.344 4.334 0.010 1
1 1369 . 9 1 1 A 107 107 ASP C C 107 178.190 177.741 0.449 1
1 1370 . 9 1 1 A 107 107 ASP CA C 107 55.780 56.288 -0.508 1
1 1371 . 9 1 1 A 107 107 ASP CB C 107 41.191 40.703 0.488 1
1 1372 . 9 1 1 A 107 107 ASP N N 107 119.620 119.842 -0.222 1
1 1373 . 9 1 1 A 108 108 LEU H H 108 7.115 7.107 0.008 1
1 1374 . 9 1 1 A 108 108 LEU HA H 108 3.357 3.598 -0.241 1
1 1384 . 9 1 1 A 108 108 LEU C C 108 177.920 179.299 -1.379 1
1 1385 . 9 1 1 A 108 108 LEU CA C 108 57.000 56.527 0.473 1
1 1386 . 9 1 1 A 108 108 LEU CB C 108 38.445 40.802 -2.357 1
1 1390 . 9 1 1 A 108 108 LEU N N 108 117.551 117.631 -0.080 1
1 1391 . 9 1 1 A 109 109 LYS H H 109 7.179 7.711 -0.532 1
1 1392 . 9 1 1 A 109 109 LYS HA H 109 3.879 4.161 -0.282 1
1 1401 . 9 1 1 A 109 109 LYS C C 109 176.650 177.916 -1.266 1
1 1402 . 9 1 1 A 109 109 LYS CA C 109 57.792 58.408 -0.616 1
1 1403 . 9 1 1 A 109 109 LYS CB C 109 32.184 32.258 -0.074 1
1 1407 . 9 1 1 A 109 109 LYS N N 109 115.080 117.896 -2.816 1
1 1408 . 9 1 1 A 110 110 LYS H H 110 7.364 7.816 -0.452 1
1 1409 . 9 1 1 A 110 110 LYS HA H 110 4.016 4.333 -0.317 1
1 1418 . 9 1 1 A 110 110 LYS C C 110 175.890 175.480 0.410 1
1 1419 . 9 1 1 A 110 110 LYS CA C 110 56.550 56.737 -0.187 1
1 1420 . 9 1 1 A 110 110 LYS CB C 110 32.972 32.428 0.544 1
1 1424 . 9 1 1 A 110 110 LYS N N 110 116.720 114.004 2.716 1
1 1425 . 9 1 1 A 111 111 ILE H H 111 6.626 7.132 -0.506 1
1 1426 . 9 1 1 A 111 111 ILE HA H 111 3.531 4.254 -0.723 1
1 1436 . 9 1 1 A 111 111 ILE C C 111 176.180 175.395 0.785 1
1 1437 . 9 1 1 A 111 111 ILE CA C 111 59.950 59.938 0.012 1
1 1438 . 9 1 1 A 111 111 ILE CB C 111 34.946 38.742 -3.796 1
1 1442 . 9 1 1 A 111 111 ILE N N 111 117.000 121.367 -4.367 1
1 1443 . 9 1 1 A 112 112 LYS H H 112 8.388 8.266 0.122 1
1 1444 . 9 1 1 A 112 112 LYS HA H 112 4.356 4.366 -0.010 1
1 1453 . 9 1 1 A 112 112 LYS C C 112 175.750 176.412 -0.662 1
1 1454 . 9 1 1 A 112 112 LYS CA C 112 54.430 55.916 -1.486 1
1 1455 . 9 1 1 A 112 112 LYS CB C 112 33.936 33.455 0.481 1
1 1459 . 9 1 1 A 112 112 LYS N N 112 128.240 126.447 1.793 1
1 1460 . 9 1 1 A 113 113 ASP H H 113 8.103 8.653 -0.550 1
1 1461 . 9 1 1 A 113 113 ASP HA H 113 4.026 4.688 -0.662 1
1 1464 . 9 1 1 A 113 113 ASP C C 113 177.630 175.533 2.097 1
1 1465 . 9 1 1 A 113 113 ASP CA C 113 56.660 53.110 3.550 1
1 1466 . 9 1 1 A 113 113 ASP CB C 113 42.033 39.597 2.436 1
1 1467 . 9 1 1 A 113 113 ASP N N 113 119.040 122.096 -3.056 1
1 1468 . 9 1 1 A 114 114 GLY H H 114 8.635 7.524 1.111 1
1 1469 . 9 1 1 A 114 114 GLY HA2 H 114 3.547 4.136 -0.589 1
1 1470 . 9 1 1 A 114 114 GLY HA3 H 114 4.229 4.137 0.092 1
1 1471 . 9 1 1 A 114 114 GLY C C 114 174.640 173.937 0.703 1
1 1472 . 9 1 1 A 114 114 GLY CA C 114 45.403 45.550 -0.147 1
1 1473 . 9 1 1 A 114 114 GLY N N 114 113.170 107.162 6.008 1
1 1474 . 9 1 1 A 115 115 GLU H H 115 7.346 8.834 -1.488 1
1 1475 . 9 1 1 A 115 115 GLU HA H 115 4.113 4.601 -0.488 1
1 1480 . 9 1 1 A 115 115 GLU C C 115 175.840 175.645 0.195 1
1 1481 . 9 1 1 A 115 115 GLU CA C 115 58.180 55.188 2.992 1
1 1482 . 9 1 1 A 115 115 GLU CB C 115 30.902 30.634 0.268 1
1 1484 . 9 1 1 A 115 115 GLU N N 115 119.440 122.017 -2.577 1
1 1485 . 9 1 1 A 116 116 LYS H H 116 9.107 7.991 1.116 1
1 1486 . 9 1 1 A 116 116 LYS HA H 116 4.529 4.086 0.443 1
1 1495 . 9 1 1 A 116 116 LYS C C 116 176.050 175.088 0.962 1
1 1496 . 9 1 1 A 116 116 LYS CA C 116 56.820 57.045 -0.225 1
1 1497 . 9 1 1 A 116 116 LYS CB C 116 33.358 30.817 2.541 1
1 1501 . 9 1 1 A 116 116 LYS N N 116 121.800 115.935 5.865 1
1 1502 . 9 1 1 A 117 117 VAL H H 117 7.860 7.670 0.190 1
1 1503 . 9 1 1 A 117 117 VAL HA H 117 4.668 3.966 0.702 1
1 1511 . 9 1 1 A 117 117 VAL C C 117 171.630 174.336 -2.706 1
1 1512 . 9 1 1 A 117 117 VAL CA C 117 57.440 62.010 -4.570 1
1 1513 . 9 1 1 A 117 117 VAL CB C 117 34.614 31.368 3.246 1
1 1516 . 9 1 1 A 117 117 VAL N N 117 118.940 118.052 0.888 1
1 1517 . 9 1 1 A 118 118 ALA H H 118 8.310 8.776 -0.466 1
1 1518 . 9 1 1 A 118 118 ALA HA H 118 4.506 4.330 0.176 1
1 1522 . 9 1 1 A 118 118 ALA C C 118 174.660 176.248 -1.588 1
1 1523 . 9 1 1 A 118 118 ALA CA C 118 50.370 51.150 -0.780 1
1 1524 . 9 1 1 A 118 118 ALA CB C 118 20.250 18.894 1.356 1
1 1525 . 9 1 1 A 118 118 ALA N N 118 130.190 131.736 -1.546 1
1 1526 . 9 1 1 A 119 119 VAL H H 119 8.295 8.175 0.120 1
1 1527 . 9 1 1 A 119 119 VAL HA H 119 4.096 3.909 0.187 1
1 1535 . 9 1 1 A 119 119 VAL C C 119 175.320 175.826 -0.506 1
1 1536 . 9 1 1 A 119 119 VAL CA C 119 61.570 62.504 -0.934 1
1 1537 . 9 1 1 A 119 119 VAL CB C 119 31.445 30.396 1.049 1
1 1540 . 9 1 1 A 119 119 VAL N N 119 123.160 123.437 -0.277 1
1 1541 . 9 1 1 A 120 120 ARG H H 120 8.596 8.621 -0.025 1
1 1542 . 9 1 1 A 120 120 ARG HA H 120 4.534 4.545 -0.011 1
1 1550 . 9 1 1 A 120 120 ARG C C 120 175.260 176.467 -1.207 1
1 1551 . 9 1 1 A 120 120 ARG CA C 120 53.740 53.642 0.098 1
1 1552 . 9 1 1 A 120 120 ARG CB C 120 34.359 33.480 0.879 1
1 1555 . 9 1 1 A 120 120 ARG N N 120 123.692 127.661 -3.969 1
1 1557 . 9 1 1 A 121 121 PHE H H 121 8.585 8.937 -0.352 1
1 1558 . 9 1 1 A 121 121 PHE HA H 121 4.591 4.316 0.275 1
1 1566 . 9 1 1 A 121 121 PHE C C 121 176.430 174.937 1.493 1
1 1567 . 9 1 1 A 121 121 PHE CA C 121 60.370 59.142 1.228 1
1 1568 . 9 1 1 A 121 121 PHE CB C 121 38.713 38.907 -0.194 1
1 1572 . 9 1 1 A 121 121 PHE N N 121 120.110 121.434 -1.324 1
1 1573 . 9 1 1 A 122 122 ALA H H 122 7.896 8.034 -0.138 1
1 1574 . 9 1 1 A 122 122 ALA HA H 122 4.304 3.935 0.369 1
1 1578 . 9 1 1 A 122 122 ALA C C 122 177.430 177.056 0.374 1
1 1579 . 9 1 1 A 122 122 ALA CA C 122 52.050 53.022 -0.972 1
1 1580 . 9 1 1 A 122 122 ALA CB C 122 19.865 17.791 2.074 1
1 1581 . 9 1 1 A 122 122 ALA N N 122 123.820 120.802 3.018 1
1 1582 . 9 1 1 A 123 123 SER H H 123 8.675 8.539 0.136 1
1 1583 . 9 1 1 A 123 123 SER HA H 123 4.372 4.374 -0.002 1
1 1586 . 9 1 1 A 123 123 SER C C 123 173.630 174.020 -0.390 1
1 1587 . 9 1 1 A 123 123 SER CA C 123 58.750 59.587 -0.837 1
1 1588 . 9 1 1 A 123 123 SER CB C 123 63.870 61.125 2.745 1
1 1589 . 9 1 1 A 123 123 SER N N 123 117.330 117.955 -0.625 1
1 14 . 10 1 1 A 2 2 ARG H H 2 9.247 8.843 0.404 1
1 15 . 10 1 1 A 2 2 ARG HA H 2 5.249 5.039 0.210 1
1 23 . 10 1 1 A 2 2 ARG C C 2 176.020 175.669 0.351 1
1 24 . 10 1 1 A 2 2 ARG CA C 2 56.360 55.619 0.741 1
1 25 . 10 1 1 A 2 2 ARG CB C 2 31.953 32.781 -0.828 1
1 28 . 10 1 1 A 2 2 ARG N N 2 129.420 126.448 2.972 1
1 30 . 10 1 1 A 3 3 VAL H H 3 9.361 8.695 0.666 1
1 31 . 10 1 1 A 3 3 VAL HA H 3 4.464 5.012 -0.548 1
1 39 . 10 1 1 A 3 3 VAL C C 3 173.160 173.888 -0.728 1
1 40 . 10 1 1 A 3 3 VAL CA C 3 61.330 60.843 0.487 1
1 41 . 10 1 1 A 3 3 VAL CB C 3 36.251 35.821 0.430 1
1 44 . 10 1 1 A 3 3 VAL N N 3 126.750 120.510 6.240 1
1 45 . 10 1 1 A 4 4 GLU H H 4 9.294 9.299 -0.005 1
1 46 . 10 1 1 A 4 4 GLU HA H 4 4.807 5.014 -0.207 1
1 51 . 10 1 1 A 4 4 GLU C C 4 173.020 175.120 -2.100 1
1 52 . 10 1 1 A 4 4 GLU CA C 4 54.890 54.850 0.040 1
1 53 . 10 1 1 A 4 4 GLU CB C 4 33.146 33.086 0.060 1
1 55 . 10 1 1 A 4 4 GLU N N 4 128.550 128.290 0.260 1
1 56 . 10 1 1 A 5 5 LEU H H 5 8.685 9.392 -0.707 1
1 57 . 10 1 1 A 5 5 LEU HA H 5 4.547 4.404 0.143 1
1 67 . 10 1 1 A 5 5 LEU C C 5 173.750 175.199 -1.449 1
1 68 . 10 1 1 A 5 5 LEU CA C 5 52.450 53.735 -1.285 1
1 69 . 10 1 1 A 5 5 LEU CB C 5 41.998 42.441 -0.443 1
1 73 . 10 1 1 A 5 5 LEU N N 5 124.490 127.385 -2.895 1
1 74 . 10 1 1 A 6 6 LEU H H 6 8.608 8.556 0.052 1
1 75 . 10 1 1 A 6 6 LEU HA H 6 4.502 4.311 0.191 1
1 85 . 10 1 1 A 6 6 LEU C C 6 176.550 175.169 1.381 1
1 86 . 10 1 1 A 6 6 LEU CA C 6 53.790 54.347 -0.557 1
1 87 . 10 1 1 A 6 6 LEU CB C 6 42.240 42.480 -0.240 1
1 91 . 10 1 1 A 6 6 LEU N N 6 123.330 125.485 -2.155 1
1 92 . 10 1 1 A 7 7 PHE H H 7 8.344 8.915 -0.571 1
1 93 . 10 1 1 A 7 7 PHE HA H 7 5.378 4.836 0.542 1
1 101 . 10 1 1 A 7 7 PHE C C 7 175.050 176.039 -0.989 1
1 102 . 10 1 1 A 7 7 PHE CA C 7 55.830 56.454 -0.624 1
1 103 . 10 1 1 A 7 7 PHE CB C 7 39.383 43.635 -4.252 1
1 108 . 10 1 1 A 7 7 PHE N N 7 125.190 121.424 3.766 1
1 109 . 10 1 1 A 8 8 GLU H H 8 8.226 9.263 -1.037 1
1 110 . 10 1 1 A 8 8 GLU HA H 8 4.266 4.220 0.046 1
1 115 . 10 1 1 A 8 8 GLU C C 8 180.740 176.826 3.914 1
1 116 . 10 1 1 A 8 8 GLU CA C 8 59.530 59.058 0.472 1
1 117 . 10 1 1 A 8 8 GLU CB C 8 29.723 29.201 0.522 1
1 119 . 10 1 1 A 8 8 GLU N N 8 120.100 123.400 -3.300 1
1 120 . 10 1 1 A 9 9 SER H H 9 9.069 8.126 0.943 1
1 121 . 10 1 1 A 9 9 SER HA H 9 4.467 4.632 -0.165 1
1 124 . 10 1 1 A 9 9 SER C C 9 173.740 173.864 -0.124 1
1 125 . 10 1 1 A 9 9 SER CA C 9 58.600 58.598 0.002 1
1 126 . 10 1 1 A 9 9 SER CB C 9 63.120 64.584 -1.464 1
1 127 . 10 1 1 A 9 9 SER N N 9 112.770 113.289 -0.519 1
1 128 . 10 1 1 A 10 10 GLY H H 10 6.925 7.212 -0.287 1
1 129 . 10 1 1 A 10 10 GLY HA2 H 10 3.896 4.063 -0.167 1
1 130 . 10 1 1 A 10 10 GLY HA3 H 10 3.896 4.091 -0.195 1
1 131 . 10 1 1 A 10 10 GLY C C 10 170.040 171.410 -1.370 1
1 132 . 10 1 1 A 10 10 GLY CA C 10 45.466 46.115 -0.649 1
1 133 . 10 1 1 A 10 10 GLY N N 10 105.760 106.541 -0.781 1
1 134 . 10 1 1 A 11 11 LYS H H 11 9.071 8.833 0.238 1
1 135 . 10 1 1 A 11 11 LYS HA H 11 5.484 5.560 -0.076 1
1 144 . 10 1 1 A 11 11 LYS C C 11 174.230 174.017 0.213 1
1 145 . 10 1 1 A 11 11 LYS CA C 11 55.460 55.274 0.186 1
1 146 . 10 1 1 A 11 11 LYS CB C 11 36.408 35.805 0.603 1
1 150 . 10 1 1 A 11 11 LYS N N 11 118.960 116.100 2.860 1
1 151 . 10 1 1 A 12 12 CYS H H 12 8.917 9.176 -0.259 1
1 152 . 10 1 1 A 12 12 CYS HA H 12 5.083 5.499 -0.416 1
1 155 . 10 1 1 A 12 12 CYS C C 12 171.760 173.077 -1.317 1
1 156 . 10 1 1 A 12 12 CYS CA C 12 56.770 57.358 -0.588 1
1 157 . 10 1 1 A 12 12 CYS CB C 12 31.267 32.220 -0.953 1
1 158 . 10 1 1 A 12 12 CYS N N 12 115.700 121.724 -6.024 1
1 159 . 10 1 1 A 13 13 VAL H H 13 8.474 8.989 -0.515 1
1 160 . 10 1 1 A 13 13 VAL HA H 13 4.992 4.886 0.106 1
1 168 . 10 1 1 A 13 13 VAL C C 13 175.660 175.462 0.198 1
1 169 . 10 1 1 A 13 13 VAL CA C 13 61.490 60.894 0.596 1
1 170 . 10 1 1 A 13 13 VAL CB C 13 35.125 35.684 -0.559 1
1 173 . 10 1 1 A 13 13 VAL N N 13 120.490 120.922 -0.432 1
1 174 . 10 1 1 A 14 14 ILE H H 14 9.378 9.266 0.112 1
1 175 . 10 1 1 A 14 14 ILE HA H 14 5.335 5.415 -0.080 1
1 185 . 10 1 1 A 14 14 ILE C C 14 172.570 174.336 -1.766 1
1 186 . 10 1 1 A 14 14 ILE CA C 14 58.540 58.790 -0.250 1
1 187 . 10 1 1 A 14 14 ILE CB C 14 40.755 42.163 -1.408 1
1 191 . 10 1 1 A 14 14 ILE N N 14 120.140 122.373 -2.233 1
1 192 . 10 1 1 A 15 15 ASP H H 15 9.295 9.077 0.218 1
1 193 . 10 1 1 A 15 15 ASP HA H 15 5.274 5.555 -0.281 1
1 196 . 10 1 1 A 15 15 ASP C C 15 176.510 174.467 2.043 1
1 197 . 10 1 1 A 15 15 ASP CA C 15 53.050 52.673 0.377 1
1 198 . 10 1 1 A 15 15 ASP CB C 15 44.007 44.397 -0.390 1
1 199 . 10 1 1 A 15 15 ASP N N 15 123.200 120.875 2.325 1
1 200 . 10 1 1 A 16 16 LEU H H 16 8.892 8.906 -0.014 1
1 201 . 10 1 1 A 16 16 LEU HA H 16 4.981 5.215 -0.234 1
1 211 . 10 1 1 A 16 16 LEU C C 16 175.430 177.040 -1.610 1
1 212 . 10 1 1 A 16 16 LEU CA C 16 53.040 53.467 -0.427 1
1 213 . 10 1 1 A 16 16 LEU CB C 16 45.782 45.783 -0.001 1
1 217 . 10 1 1 A 16 16 LEU N N 16 123.620 124.474 -0.854 1
1 218 . 10 1 1 A 17 17 ASN H H 17 8.694 8.574 0.120 1
1 219 . 10 1 1 A 17 17 ASN HA H 17 4.632 4.860 -0.228 1
1 224 . 10 1 1 A 17 17 ASN C C 17 175.500 174.953 0.547 1
1 225 . 10 1 1 A 17 17 ASN CA C 17 53.310 52.163 1.147 1
1 226 . 10 1 1 A 17 17 ASN CB C 17 38.508 38.370 0.138 1
1 227 . 10 1 1 A 17 17 ASN N N 17 121.330 121.216 0.114 1
1 229 . 10 1 1 A 18 18 GLU H H 18 8.793 8.031 0.762 1
1 230 . 10 1 1 A 18 18 GLU HA H 18 3.736 3.999 -0.263 1
1 235 . 10 1 1 A 18 18 GLU C C 18 175.250 176.272 -1.022 1
1 236 . 10 1 1 A 18 18 GLU CA C 18 58.330 57.815 0.515 1
1 237 . 10 1 1 A 18 18 GLU CB C 18 29.947 27.661 2.286 1
1 239 . 10 1 1 A 18 18 GLU N N 18 124.750 115.616 9.134 1
1 240 . 10 1 1 A 19 19 GLU H H 19 8.187 8.019 0.168 1
1 241 . 10 1 1 A 19 19 GLU HA H 19 3.885 4.384 -0.499 1
1 246 . 10 1 1 A 19 19 GLU C C 19 177.350 174.492 2.858 1
1 247 . 10 1 1 A 19 19 GLU CA C 19 57.730 56.090 1.640 1
1 248 . 10 1 1 A 19 19 GLU CB C 19 29.744 30.919 -1.175 1
1 250 . 10 1 1 A 19 19 GLU N N 19 117.280 116.887 0.393 1
1 251 . 10 1 1 A 20 20 TYR H H 20 7.135 7.747 -0.612 1
1 252 . 10 1 1 A 20 20 TYR HA H 20 4.668 4.943 -0.275 1
1 259 . 10 1 1 A 20 20 TYR CA C 20 56.050 56.172 -0.122 1
1 260 . 10 1 1 A 20 20 TYR CB C 20 38.464 41.018 -2.554 1
1 263 . 10 1 1 A 20 20 TYR N N 20 117.730 119.568 -1.838 1
1 264 . 10 1 1 A 21 21 GLU H H 21 10.044 8.899 1.145 1
1 265 . 10 1 1 A 21 21 GLU HA H 21 3.807 3.903 -0.096 1
1 270 . 10 1 1 A 21 21 GLU C C 21 179.150 178.193 0.957 1
1 271 . 10 1 1 A 21 21 GLU CA C 21 60.640 60.183 0.457 1
1 272 . 10 1 1 A 21 21 GLU CB C 21 29.167 29.565 -0.398 1
1 274 . 10 1 1 A 21 21 GLU N N 21 129.480 124.974 4.506 1
1 275 . 10 1 1 A 22 22 VAL H H 22 9.539 8.127 1.412 1
1 276 . 10 1 1 A 22 22 VAL HA H 22 3.574 3.617 -0.043 1
1 284 . 10 1 1 A 22 22 VAL C C 22 175.490 177.583 -2.093 1
1 285 . 10 1 1 A 22 22 VAL CA C 22 64.470 65.502 -1.032 1
1 286 . 10 1 1 A 22 22 VAL CB C 22 30.858 31.521 -0.663 1
1 289 . 10 1 1 A 22 22 VAL N N 22 115.360 118.895 -3.535 1
1 290 . 10 1 1 A 23 23 VAL H H 23 6.843 8.154 -1.311 1
1 291 . 10 1 1 A 23 23 VAL HA H 23 3.387 3.565 -0.178 1
1 299 . 10 1 1 A 23 23 VAL C C 23 176.900 177.631 -0.731 1
1 300 . 10 1 1 A 23 23 VAL CA C 23 67.030 67.068 -0.038 1
1 301 . 10 1 1 A 23 23 VAL CB C 23 31.499 31.535 -0.036 1
1 304 . 10 1 1 A 23 23 VAL N N 23 121.150 121.517 -0.367 1
1 305 . 10 1 1 A 24 24 LYS H H 24 7.533 7.734 -0.201 1
1 306 . 10 1 1 A 24 24 LYS HA H 24 3.851 3.988 -0.137 1
1 315 . 10 1 1 A 24 24 LYS C C 24 179.820 179.364 0.456 1
1 316 . 10 1 1 A 24 24 LYS CA C 24 60.480 59.971 0.509 1
1 317 . 10 1 1 A 24 24 LYS CB C 24 32.626 32.240 0.386 1
1 321 . 10 1 1 A 24 24 LYS N N 24 120.120 119.213 0.907 1
1 322 . 10 1 1 A 25 25 LEU H H 25 7.870 8.412 -0.542 1
1 323 . 10 1 1 A 25 25 LEU HA H 25 4.097 4.144 -0.047 1
1 333 . 10 1 1 A 25 25 LEU C C 25 180.620 179.568 1.052 1
1 334 . 10 1 1 A 25 25 LEU CA C 25 57.440 57.215 0.225 1
1 335 . 10 1 1 A 25 25 LEU CB C 25 41.717 41.275 0.442 1
1 339 . 10 1 1 A 25 25 LEU N N 25 117.260 119.920 -2.660 1
1 340 . 10 1 1 A 26 26 LEU H H 26 8.489 8.579 -0.090 1
1 341 . 10 1 1 A 26 26 LEU HA H 26 3.703 3.957 -0.254 1
1 351 . 10 1 1 A 26 26 LEU C C 26 178.820 179.033 -0.213 1
1 352 . 10 1 1 A 26 26 LEU CA C 26 58.310 57.170 1.140 1
1 353 . 10 1 1 A 26 26 LEU CB C 26 42.487 41.183 1.304 1
1 357 . 10 1 1 A 26 26 LEU N N 26 121.760 119.235 2.525 1
1 358 . 10 1 1 A 27 27 LYS H H 27 8.190 7.974 0.216 1
1 359 . 10 1 1 A 27 27 LYS HA H 27 3.799 4.397 -0.598 1
1 368 . 10 1 1 A 27 27 LYS C C 27 177.470 178.035 -0.565 1
1 369 . 10 1 1 A 27 27 LYS CA C 27 60.480 58.689 1.791 1
1 370 . 10 1 1 A 27 27 LYS CB C 27 33.472 32.461 1.011 1
1 374 . 10 1 1 A 27 27 LYS N N 27 117.650 120.782 -3.132 1
1 375 . 10 1 1 A 28 28 GLU H H 28 6.841 8.239 -1.398 1
1 376 . 10 1 1 A 28 28 GLU HA H 28 4.238 4.246 -0.008 1
1 381 . 10 1 1 A 28 28 GLU C C 28 177.280 177.646 -0.366 1
1 382 . 10 1 1 A 28 28 GLU CA C 28 57.370 57.643 -0.273 1
1 383 . 10 1 1 A 28 28 GLU CB C 28 30.480 30.613 -0.133 1
1 385 . 10 1 1 A 28 28 GLU N N 28 111.940 117.279 -5.339 1
1 386 . 10 1 1 A 29 29 LYS H H 29 7.577 7.953 -0.376 1
1 387 . 10 1 1 A 29 29 LYS HA H 29 4.414 4.431 -0.017 1
1 396 . 10 1 1 A 29 29 LYS C C 29 175.230 174.823 0.407 1
1 397 . 10 1 1 A 29 29 LYS CA C 29 53.800 54.945 -1.145 1
1 398 . 10 1 1 A 29 29 LYS CB C 29 33.530 32.578 0.952 1
1 402 . 10 1 1 A 29 29 LYS N N 29 115.460 117.547 -2.087 1
1 403 . 10 1 1 A 30 30 ILE H H 30 6.921 7.590 -0.669 1
1 404 . 10 1 1 A 30 30 ILE HA H 30 3.939 4.593 -0.654 1
1 414 . 10 1 1 A 30 30 ILE CA C 30 60.290 57.160 3.130 1
1 415 . 10 1 1 A 30 30 ILE CB C 30 39.967 41.044 -1.077 1
1 419 . 10 1 1 A 30 30 ILE N N 30 122.100 121.367 0.733 1
1 420 . 10 1 1 A 31 31 PRO HA H 31 4.840 4.725 0.115 1
1 427 . 10 1 1 A 31 31 PRO C C 31 175.340 176.239 -0.899 1
1 428 . 10 1 1 A 31 31 PRO CA C 31 62.720 62.670 0.050 1
1 429 . 10 1 1 A 31 31 PRO CB C 31 36.350 32.797 3.553 1
1 432 . 10 1 1 A 32 32 PHE H H 32 7.627 8.785 -1.158 1
1 433 . 10 1 1 A 32 32 PHE HA H 32 4.959 5.060 -0.101 1
1 441 . 10 1 1 A 32 32 PHE C C 32 171.870 172.316 -0.446 1
1 442 . 10 1 1 A 32 32 PHE CA C 32 56.300 56.245 0.055 1
1 443 . 10 1 1 A 32 32 PHE CB C 32 40.253 41.518 -1.265 1
1 447 . 10 1 1 A 32 32 PHE N N 32 112.880 117.069 -4.189 1
1 448 . 10 1 1 A 33 33 GLU H H 33 8.728 8.767 -0.039 1
1 449 . 10 1 1 A 33 33 GLU HA H 33 5.309 5.269 0.040 1
1 454 . 10 1 1 A 33 33 GLU C C 33 175.630 175.426 0.204 1
1 455 . 10 1 1 A 33 33 GLU CA C 33 54.450 54.748 -0.298 1
1 456 . 10 1 1 A 33 33 GLU CB C 33 33.814 32.684 1.130 1
1 458 . 10 1 1 A 33 33 GLU N N 33 118.710 119.710 -1.000 1
1 459 . 10 1 1 A 34 34 SER H H 34 8.964 8.311 0.653 1
1 460 . 10 1 1 A 34 34 SER HA H 34 4.803 4.867 -0.064 1
1 463 . 10 1 1 A 34 34 SER C C 34 174.560 172.443 2.117 1
1 464 . 10 1 1 A 34 34 SER CA C 34 55.830 55.891 -0.061 1
1 465 . 10 1 1 A 34 34 SER CB C 34 64.270 65.124 -0.854 1
1 466 . 10 1 1 A 34 34 SER N N 34 115.150 116.015 -0.865 1
1 467 . 10 1 1 A 35 35 VAL H H 35 8.322 8.589 -0.267 1
1 468 . 10 1 1 A 35 35 VAL HA H 35 4.724 4.443 0.281 1
1 476 . 10 1 1 A 35 35 VAL C C 35 174.950 175.231 -0.281 1
1 477 . 10 1 1 A 35 35 VAL CA C 35 61.350 61.718 -0.368 1
1 478 . 10 1 1 A 35 35 VAL CB C 35 35.676 33.608 2.068 1
1 481 . 10 1 1 A 35 35 VAL N N 35 121.700 122.440 -0.740 1
1 482 . 10 1 1 A 36 36 VAL H H 36 9.200 9.088 0.112 1
1 483 . 10 1 1 A 36 36 VAL HA H 36 3.999 4.327 -0.328 1
1 491 . 10 1 1 A 36 36 VAL C C 36 175.490 175.083 0.407 1
1 492 . 10 1 1 A 36 36 VAL CA C 36 63.900 62.067 1.833 1
1 493 . 10 1 1 A 36 36 VAL CB C 36 33.593 29.939 3.654 1
1 496 . 10 1 1 A 36 36 VAL N N 36 123.870 128.361 -4.491 1
1 497 . 10 1 1 A 37 37 ASN H H 37 8.739 7.766 0.973 1
1 498 . 10 1 1 A 37 37 ASN HA H 37 5.276 4.751 0.525 1
1 503 . 10 1 1 A 37 37 ASN C C 37 174.040 175.102 -1.062 1
1 504 . 10 1 1 A 37 37 ASN CA C 37 51.960 53.744 -1.784 1
1 505 . 10 1 1 A 37 37 ASN CB C 37 41.996 38.143 3.853 1
1 506 . 10 1 1 A 37 37 ASN N N 37 123.895 123.204 0.691 1
1 508 . 10 1 1 A 38 38 THR H H 38 8.703 8.959 -0.256 1
1 509 . 10 1 1 A 38 38 THR HA H 38 5.323 5.519 -0.196 1
1 514 . 10 1 1 A 38 38 THR C C 38 174.910 173.779 1.131 1
1 515 . 10 1 1 A 38 38 THR CA C 38 59.740 59.541 0.199 1
1 516 . 10 1 1 A 38 38 THR CB C 38 71.332 71.999 -0.667 1
1 518 . 10 1 1 A 38 38 THR N N 38 111.440 111.874 -0.434 1
1 519 . 10 1 1 A 39 39 TRP H H 39 8.489 9.057 -0.568 1
1 520 . 10 1 1 A 39 39 TRP HA H 39 4.838 4.891 -0.053 1
1 529 . 10 1 1 A 39 39 TRP C C 39 175.270 175.730 -0.460 1
1 530 . 10 1 1 A 39 39 TRP CA C 39 57.040 56.752 0.288 1
1 531 . 10 1 1 A 39 39 TRP CB C 39 29.089 30.620 -1.531 1
1 537 . 10 1 1 A 39 39 TRP N N 39 125.321 124.718 0.603 1
1 539 . 10 1 1 A 40 40 GLY H H 40 8.596 8.680 -0.084 1
1 540 . 10 1 1 A 40 40 GLY HA2 H 40 3.528 3.548 -0.020 1
1 541 . 10 1 1 A 40 40 GLY HA3 H 40 3.465 3.712 -0.247 1
1 542 . 10 1 1 A 40 40 GLY CA C 40 47.619 46.718 0.901 1
1 543 . 10 1 1 A 40 40 GLY N N 40 113.220 113.624 -0.404 1
1 544 . 10 1 1 A 41 41 GLU H H 41 7.870 8.382 -0.512 1
1 545 . 10 1 1 A 41 41 GLU HA H 41 3.717 3.387 0.330 1
1 550 . 10 1 1 A 41 41 GLU C C 41 171.810 174.116 -2.306 1
1 551 . 10 1 1 A 41 41 GLU CA C 41 55.390 57.581 -2.191 1
1 552 . 10 1 1 A 41 41 GLU CB C 41 26.025 27.304 -1.279 1
1 554 . 10 1 1 A 41 41 GLU N N 41 128.227 110.409 17.818 1
1 555 . 10 1 1 A 42 42 GLU H H 42 7.158 7.504 -0.346 1
1 556 . 10 1 1 A 42 42 GLU HA H 42 4.811 5.121 -0.310 1
1 561 . 10 1 1 A 42 42 GLU C C 42 175.680 174.451 1.229 1
1 562 . 10 1 1 A 42 42 GLU CA C 42 53.860 54.715 -0.855 1
1 563 . 10 1 1 A 42 42 GLU CB C 42 31.149 32.838 -1.689 1
1 565 . 10 1 1 A 42 42 GLU N N 42 116.880 114.728 2.152 1
1 566 . 10 1 1 A 43 43 ILE H H 43 8.226 8.420 -0.194 1
1 567 . 10 1 1 A 43 43 ILE HA H 43 4.934 4.926 0.008 1
1 577 . 10 1 1 A 43 43 ILE C C 43 174.420 175.273 -0.853 1
1 578 . 10 1 1 A 43 43 ILE CA C 43 59.250 60.482 -1.232 1
1 579 . 10 1 1 A 43 43 ILE CB C 43 43.278 40.816 2.462 1
1 583 . 10 1 1 A 43 43 ILE N N 43 125.120 122.657 2.463 1
1 584 . 10 1 1 A 44 44 TYR H H 44 9.318 9.096 0.222 1
1 585 . 10 1 1 A 44 44 TYR HA H 44 6.008 5.558 0.450 1
1 592 . 10 1 1 A 44 44 TYR C C 44 174.150 173.600 0.550 1
1 593 . 10 1 1 A 44 44 TYR CA C 44 55.740 54.974 0.766 1
1 594 . 10 1 1 A 44 44 TYR CB C 44 42.606 42.172 0.434 1
1 597 . 10 1 1 A 44 44 TYR N N 44 124.370 125.517 -1.147 1
1 598 . 10 1 1 A 45 45 PHE H H 45 8.211 8.910 -0.699 1
1 599 . 10 1 1 A 45 45 PHE HA H 45 5.088 5.439 -0.351 1
1 607 . 10 1 1 A 45 45 PHE C C 45 173.730 172.540 1.190 1
1 608 . 10 1 1 A 45 45 PHE CA C 45 55.140 55.678 -0.538 1
1 609 . 10 1 1 A 45 45 PHE CB C 45 40.793 41.982 -1.189 1
1 613 . 10 1 1 A 45 45 PHE N N 45 114.110 116.889 -2.779 1
1 614 . 10 1 1 A 46 46 SER H H 46 9.523 9.016 0.507 1
1 615 . 10 1 1 A 46 46 SER HA H 46 4.316 4.853 -0.537 1
1 618 . 10 1 1 A 46 46 SER C C 46 174.360 174.094 0.266 1
1 619 . 10 1 1 A 46 46 SER CA C 46 59.960 57.363 2.597 1
1 620 . 10 1 1 A 46 46 SER CB C 46 63.980 63.533 0.447 1
1 621 . 10 1 1 A 46 46 SER N N 46 117.150 117.035 0.115 1
1 622 . 10 1 1 A 47 47 THR H H 47 8.225 8.574 -0.349 1
1 623 . 10 1 1 A 47 47 THR HA H 47 4.971 5.084 -0.113 1
1 628 . 10 1 1 A 47 47 THR CA C 47 59.160 60.340 -1.180 1
1 629 . 10 1 1 A 47 47 THR CB C 47 70.385 69.030 1.355 1
1 631 . 10 1 1 A 47 47 THR N N 47 113.910 119.421 -5.511 1
1 632 . 10 1 1 A 48 48 PRO HA H 48 4.585 4.545 0.040 1
1 639 . 10 1 1 A 48 48 PRO C C 48 175.940 176.206 -0.266 1
1 640 . 10 1 1 A 48 48 PRO CA C 48 62.410 63.669 -1.259 1
1 641 . 10 1 1 A 48 48 PRO CB C 48 31.770 32.013 -0.243 1
1 644 . 10 1 1 A 49 49 VAL H H 49 7.458 7.553 -0.095 1
1 645 . 10 1 1 A 49 49 VAL HA H 49 4.178 4.123 0.055 1
1 653 . 10 1 1 A 49 49 VAL C C 49 174.070 175.075 -1.005 1
1 654 . 10 1 1 A 49 49 VAL CA C 49 60.840 61.683 -0.843 1
1 655 . 10 1 1 A 49 49 VAL CB C 49 34.134 31.263 2.871 1
1 658 . 10 1 1 A 49 49 VAL N N 49 114.800 120.038 -5.238 1
1 659 . 10 1 1 A 50 50 ASN H H 50 8.897 8.956 -0.059 1
1 660 . 10 1 1 A 50 50 ASN HA H 50 4.684 4.916 -0.232 1
1 665 . 10 1 1 A 50 50 ASN C C 50 173.550 174.234 -0.684 1
1 666 . 10 1 1 A 50 50 ASN CA C 50 51.610 52.042 -0.432 1
1 667 . 10 1 1 A 50 50 ASN CB C 50 39.730 36.950 2.780 1
1 668 . 10 1 1 A 50 50 ASN N N 50 126.400 127.154 -0.754 1
1 670 . 10 1 1 A 51 51 VAL H H 51 7.587 7.496 0.091 1
1 671 . 10 1 1 A 51 51 VAL HA H 51 4.148 4.041 0.107 1
1 679 . 10 1 1 A 51 51 VAL C C 51 174.350 175.597 -1.247 1
1 680 . 10 1 1 A 51 51 VAL CA C 51 61.280 62.135 -0.855 1
1 681 . 10 1 1 A 51 51 VAL CB C 51 35.206 32.615 2.591 1
1 684 . 10 1 1 A 51 51 VAL N N 51 122.670 122.872 -0.202 1
1 685 . 10 1 1 A 52 52 GLN H H 52 8.337 8.437 -0.100 1
1 686 . 10 1 1 A 52 52 GLN HA H 52 4.094 4.769 -0.675 1
1 693 . 10 1 1 A 52 52 GLN C C 52 176.240 175.907 0.333 1
1 694 . 10 1 1 A 52 52 GLN CA C 52 56.560 55.194 1.366 1
1 695 . 10 1 1 A 52 52 GLN CB C 52 29.745 29.786 -0.041 1
1 697 . 10 1 1 A 52 52 GLN N N 52 122.670 124.247 -1.577 1
1 699 . 10 1 1 A 53 53 LYS H H 53 7.363 7.480 -0.117 1
1 700 . 10 1 1 A 53 53 LYS HA H 53 3.994 4.229 -0.235 1
1 709 . 10 1 1 A 53 53 LYS C C 53 176.010 175.570 0.440 1
1 710 . 10 1 1 A 53 53 LYS CA C 53 56.960 56.699 0.261 1
1 711 . 10 1 1 A 53 53 LYS CB C 53 33.000 32.663 0.337 1
1 715 . 10 1 1 A 53 53 LYS N N 53 119.940 122.428 -2.488 1
1 716 . 10 1 1 A 54 54 MET H H 54 8.797 8.521 0.276 1
1 717 . 10 1 1 A 54 54 MET HA H 54 4.449 5.109 -0.660 1
1 725 . 10 1 1 A 54 54 MET C C 54 174.630 175.926 -1.296 1
1 726 . 10 1 1 A 54 54 MET CA C 54 54.530 53.885 0.645 1
1 727 . 10 1 1 A 54 54 MET CB C 54 36.912 33.925 2.987 1
1 730 . 10 1 1 A 54 54 MET N N 54 124.720 125.154 -0.434 1
1 731 . 10 1 1 A 55 55 GLU H H 55 9.773 9.066 0.707 1
1 732 . 10 1 1 A 55 55 GLU HA H 55 4.029 4.638 -0.609 1
1 737 . 10 1 1 A 55 55 GLU C C 55 176.930 176.848 0.082 1
1 738 . 10 1 1 A 55 55 GLU CA C 55 59.910 57.012 2.898 1
1 739 . 10 1 1 A 55 55 GLU CB C 55 29.611 31.759 -2.148 1
1 741 . 10 1 1 A 55 55 GLU N N 55 124.250 122.135 2.115 1
1 742 . 10 1 1 A 56 56 ASN H H 56 8.371 7.881 0.490 1
1 743 . 10 1 1 A 56 56 ASN HA H 56 5.163 5.137 0.026 1
1 748 . 10 1 1 A 56 56 ASN CA C 56 50.680 50.594 0.086 1
1 749 . 10 1 1 A 56 56 ASN CB C 56 39.563 39.019 0.544 1
1 750 . 10 1 1 A 56 56 ASN N N 56 115.600 118.582 -2.982 1
1 752 . 10 1 1 A 57 57 PRO HA H 57 4.854 4.760 0.094 1
1 759 . 10 1 1 A 57 57 PRO C C 57 178.760 176.105 2.655 1
1 760 . 10 1 1 A 57 57 PRO CA C 57 62.630 63.264 -0.634 1
1 761 . 10 1 1 A 57 57 PRO CB C 57 32.197 31.933 0.264 1
1 764 . 10 1 1 A 58 58 ARG H H 58 9.448 9.142 0.306 1
1 765 . 10 1 1 A 58 58 ARG HA H 58 4.636 4.753 -0.117 1
1 773 . 10 1 1 A 58 58 ARG C C 58 175.430 175.931 -0.501 1
1 774 . 10 1 1 A 58 58 ARG CA C 58 54.210 54.382 -0.172 1
1 775 . 10 1 1 A 58 58 ARG CB C 58 34.208 33.393 0.815 1
1 778 . 10 1 1 A 58 58 ARG N N 58 122.690 124.053 -1.363 1
1 780 . 10 1 1 A 59 59 GLU H H 59 8.694 8.640 0.054 1
1 781 . 10 1 1 A 59 59 GLU HA H 59 4.096 4.430 -0.334 1
1 786 . 10 1 1 A 59 59 GLU C C 59 175.210 175.932 -0.722 1
1 787 . 10 1 1 A 59 59 GLU CA C 59 56.470 56.929 -0.459 1
1 788 . 10 1 1 A 59 59 GLU CB C 59 31.074 30.262 0.812 1
1 790 . 10 1 1 A 59 59 GLU N N 59 119.520 123.625 -4.105 1
1 791 . 10 1 1 A 60 60 VAL H H 60 7.296 7.595 -0.299 1
1 792 . 10 1 1 A 60 60 VAL HA H 60 4.471 4.709 -0.238 1
1 800 . 10 1 1 A 60 60 VAL C C 60 174.900 174.901 -0.001 1
1 801 . 10 1 1 A 60 60 VAL CA C 60 61.058 60.264 0.794 1
1 802 . 10 1 1 A 60 60 VAL CB C 60 35.056 35.877 -0.821 1
1 805 . 10 1 1 A 60 60 VAL N N 60 117.380 119.490 -2.110 1
1 806 . 10 1 1 A 61 61 VAL H H 61 8.064 8.332 -0.268 1
1 807 . 10 1 1 A 61 61 VAL HA H 61 4.540 4.949 -0.409 1
1 815 . 10 1 1 A 61 61 VAL C C 61 172.880 174.650 -1.770 1
1 816 . 10 1 1 A 61 61 VAL CA C 61 58.820 58.855 -0.035 1
1 817 . 10 1 1 A 61 61 VAL CB C 61 33.464 35.796 -2.332 1
1 820 . 10 1 1 A 61 61 VAL N N 61 117.630 119.865 -2.235 1
1 821 . 10 1 1 A 62 62 GLU H H 62 8.620 8.554 0.066 1
1 822 . 10 1 1 A 62 62 GLU HA H 62 4.543 4.643 -0.100 1
1 827 . 10 1 1 A 62 62 GLU C C 62 176.350 177.171 -0.821 1
1 828 . 10 1 1 A 62 62 GLU CA C 62 53.640 54.650 -1.010 1
1 829 . 10 1 1 A 62 62 GLU CB C 62 32.360 32.032 0.328 1
1 831 . 10 1 1 A 62 62 GLU N N 62 118.060 120.118 -2.058 1
1 832 . 10 1 1 A 63 63 ILE H H 63 8.520 8.455 0.065 1
1 833 . 10 1 1 A 63 63 ILE HA H 63 3.275 4.323 -1.048 1
1 843 . 10 1 1 A 63 63 ILE C C 63 177.940 176.234 1.706 1
1 844 . 10 1 1 A 63 63 ILE CA C 63 64.410 61.429 2.981 1
1 845 . 10 1 1 A 63 63 ILE CB C 63 37.674 37.868 -0.194 1
1 849 . 10 1 1 A 63 63 ILE N N 63 120.310 120.711 -0.401 1
1 850 . 10 1 1 A 64 64 GLY H H 64 9.091 7.791 1.300 1
1 851 . 10 1 1 A 64 64 GLY HA2 H 64 3.563 4.192 -0.629 1
1 852 . 10 1 1 A 64 64 GLY HA3 H 64 4.774 4.231 0.543 1
1 853 . 10 1 1 A 64 64 GLY C C 64 173.290 172.839 0.451 1
1 854 . 10 1 1 A 64 64 GLY CA C 64 45.359 45.797 -0.438 1
1 855 . 10 1 1 A 64 64 GLY N N 64 116.340 109.525 6.815 1
1 856 . 10 1 1 A 65 65 ASP H H 65 8.335 7.921 0.414 1
1 857 . 10 1 1 A 65 65 ASP HA H 65 4.914 5.279 -0.365 1
1 860 . 10 1 1 A 65 65 ASP C C 65 175.180 175.004 0.176 1
1 861 . 10 1 1 A 65 65 ASP CA C 65 56.630 52.543 4.087 1
1 862 . 10 1 1 A 65 65 ASP CB C 65 41.980 44.937 -2.957 1
1 863 . 10 1 1 A 65 65 ASP N N 65 121.610 118.872 2.738 1
1 864 . 10 1 1 A 66 66 VAL H H 66 7.580 8.509 -0.929 1
1 865 . 10 1 1 A 66 66 VAL HA H 66 5.085 4.955 0.130 1
1 873 . 10 1 1 A 66 66 VAL C C 66 176.170 174.903 1.267 1
1 874 . 10 1 1 A 66 66 VAL CA C 66 60.240 60.648 -0.408 1
1 875 . 10 1 1 A 66 66 VAL CB C 66 33.783 35.538 -1.755 1
1 878 . 10 1 1 A 66 66 VAL N N 66 117.330 120.527 -3.197 1
1 879 . 10 1 1 A 67 67 GLY H H 67 9.592 8.509 1.083 1
1 880 . 10 1 1 A 67 67 GLY HA2 H 67 5.899 4.472 1.427 1
1 881 . 10 1 1 A 67 67 GLY HA3 H 67 3.200 4.583 -1.383 1
1 882 . 10 1 1 A 67 67 GLY C C 67 171.740 171.767 -0.027 1
1 883 . 10 1 1 A 67 67 GLY CA C 67 43.580 44.413 -0.833 1
1 884 . 10 1 1 A 67 67 GLY N N 67 111.440 113.712 -2.272 1
1 885 . 10 1 1 A 68 68 TYR H H 68 9.146 8.949 0.197 1
1 886 . 10 1 1 A 68 68 TYR HA H 68 5.809 5.004 0.805 1
1 889 . 10 1 1 A 68 68 TYR C C 68 173.860 174.253 -0.393 1
1 890 . 10 1 1 A 68 68 TYR CA C 68 55.900 57.391 -1.491 1
1 891 . 10 1 1 A 68 68 TYR CB C 68 42.170 40.859 1.311 1
1 892 . 10 1 1 A 68 68 TYR N N 68 119.980 122.947 -2.967 1
1 893 . 10 1 1 A 69 69 TRP H H 69 9.213 8.212 1.001 1
1 894 . 10 1 1 A 69 69 TRP HA H 69 5.268 4.936 0.332 1
1 902 . 10 1 1 A 69 69 TRP CA C 69 53.390 55.080 -1.690 1
1 903 . 10 1 1 A 69 69 TRP CB C 69 30.442 30.217 0.225 1
1 908 . 10 1 1 A 69 69 TRP N N 69 132.150 128.989 3.161 1
1 910 . 10 1 1 A 70 70 PRO HA H 70 3.923 4.208 -0.285 1
1 917 . 10 1 1 A 70 70 PRO CA C 70 66.753 64.799 1.954 1
1 918 . 10 1 1 A 70 70 PRO CB C 70 30.054 32.163 -2.109 1
1 921 . 10 1 1 A 71 71 PRO HA H 71 3.716 4.119 -0.403 1
1 928 . 10 1 1 A 71 71 PRO CA C 71 65.803 64.029 1.774 1
1 929 . 10 1 1 A 71 71 PRO CB C 71 30.620 31.170 -0.550 1
1 932 . 10 1 1 A 72 72 GLY HA2 H 72 3.168 3.651 -0.483 1
1 933 . 10 1 1 A 72 72 GLY HA3 H 72 4.271 3.732 0.539 1
1 934 . 10 1 1 A 72 72 GLY C C 72 173.220 173.608 -0.388 1
1 935 . 10 1 1 A 72 72 GLY CA C 72 44.350 44.787 -0.437 1
1 936 . 10 1 1 A 73 73 LYS H H 73 7.989 7.547 0.442 1
1 937 . 10 1 1 A 73 73 LYS HA H 73 3.566 3.722 -0.156 1
1 946 . 10 1 1 A 73 73 LYS C C 73 177.420 174.563 2.857 1
1 947 . 10 1 1 A 73 73 LYS CA C 73 57.790 57.168 0.622 1
1 948 . 10 1 1 A 73 73 LYS CB C 73 29.398 29.459 -0.061 1
1 952 . 10 1 1 A 73 73 LYS N N 73 121.515 114.785 6.730 1
1 953 . 10 1 1 A 74 74 ALA H H 74 6.969 7.438 -0.469 1
1 954 . 10 1 1 A 74 74 ALA HA H 74 5.123 5.097 0.026 1
1 958 . 10 1 1 A 74 74 ALA C C 74 177.490 175.528 1.962 1
1 959 . 10 1 1 A 74 74 ALA CA C 74 51.900 50.004 1.896 1
1 960 . 10 1 1 A 74 74 ALA CB C 74 23.090 22.692 0.398 1
1 961 . 10 1 1 A 74 74 ALA N N 74 118.780 118.616 0.164 1
1 962 . 10 1 1 A 75 75 LEU H H 75 8.032 7.899 0.133 1
1 963 . 10 1 1 A 75 75 LEU HA H 75 4.844 4.322 0.522 1
1 973 . 10 1 1 A 75 75 LEU C C 75 175.540 175.249 0.291 1
1 974 . 10 1 1 A 75 75 LEU CA C 75 54.000 53.479 0.521 1
1 975 . 10 1 1 A 75 75 LEU CB C 75 43.858 43.087 0.771 1
1 979 . 10 1 1 A 75 75 LEU N N 75 122.780 121.014 1.766 1
1 980 . 10 1 1 A 76 76 CYS H H 76 8.813 7.941 0.872 1
1 981 . 10 1 1 A 76 76 CYS HA H 76 5.178 4.980 0.198 1
1 984 . 10 1 1 A 76 76 CYS C C 76 173.080 172.686 0.394 1
1 985 . 10 1 1 A 76 76 CYS CA C 76 55.850 57.819 -1.969 1
1 986 . 10 1 1 A 76 76 CYS CB C 76 31.922 31.210 0.712 1
1 987 . 10 1 1 A 76 76 CYS N N 76 117.950 120.323 -2.373 1
1 988 . 10 1 1 A 77 77 LEU H H 77 9.621 8.170 1.451 1
1 989 . 10 1 1 A 77 77 LEU HA H 77 4.741 4.813 -0.072 1
1 999 . 10 1 1 A 77 77 LEU C C 77 175.040 175.863 -0.823 1
1 1000 . 10 1 1 A 77 77 LEU CA C 77 53.510 53.725 -0.215 1
1 1001 . 10 1 1 A 77 77 LEU CB C 77 44.058 44.158 -0.100 1
1 1005 . 10 1 1 A 77 77 LEU N N 77 123.140 124.521 -1.381 1
1 1006 . 10 1 1 A 78 78 PHE H H 78 7.930 8.868 -0.938 1
1 1007 . 10 1 1 A 78 78 PHE HA H 78 4.809 4.821 -0.012 1
1 1015 . 10 1 1 A 78 78 PHE C C 78 174.830 176.466 -1.636 1
1 1016 . 10 1 1 A 78 78 PHE CA C 78 58.140 57.120 1.020 1
1 1017 . 10 1 1 A 78 78 PHE CB C 78 39.603 40.712 -1.109 1
1 1021 . 10 1 1 A 78 78 PHE N N 78 120.120 124.604 -4.484 1
1 1022 . 10 1 1 A 79 79 PHE H H 79 8.038 8.177 -0.139 1
1 1023 . 10 1 1 A 79 79 PHE HA H 79 5.029 5.259 -0.230 1
1 1031 . 10 1 1 A 79 79 PHE C C 79 172.070 175.313 -3.243 1
1 1032 . 10 1 1 A 79 79 PHE CA C 79 55.630 56.539 -0.909 1
1 1033 . 10 1 1 A 79 79 PHE CB C 79 39.003 41.116 -2.113 1
1 1037 . 10 1 1 A 79 79 PHE N N 79 119.040 117.968 1.072 1
1 1038 . 10 1 1 A 80 80 GLY H H 80 7.489 7.282 0.207 1
1 1039 . 10 1 1 A 80 80 GLY HA2 H 80 3.653 3.989 -0.336 1
1 1040 . 10 1 1 A 80 80 GLY HA3 H 80 4.283 4.007 0.276 1
1 1041 . 10 1 1 A 80 80 GLY C C 80 170.830 174.306 -3.476 1
1 1042 . 10 1 1 A 80 80 GLY CA C 80 45.342 45.623 -0.281 1
1 1043 . 10 1 1 A 80 80 GLY N N 80 110.010 107.548 2.462 1
1 1044 . 10 1 1 A 81 81 LYS H H 81 8.186 8.167 0.019 1
1 1045 . 10 1 1 A 81 81 LYS HA H 81 4.003 4.260 -0.257 1
1 1054 . 10 1 1 A 81 81 LYS C C 81 177.530 175.038 2.492 1
1 1055 . 10 1 1 A 81 81 LYS CA C 81 57.730 58.072 -0.342 1
1 1056 . 10 1 1 A 81 81 LYS CB C 81 33.293 32.088 1.205 1
1 1060 . 10 1 1 A 81 81 LYS N N 81 117.260 117.583 -0.323 1
1 1061 . 10 1 1 A 82 82 THR H H 82 8.076 7.743 0.333 1
1 1062 . 10 1 1 A 82 82 THR HA H 82 4.423 4.978 -0.555 1
1 1067 . 10 1 1 A 82 82 THR CA C 82 59.230 58.796 0.434 1
1 1068 . 10 1 1 A 82 82 THR CB C 82 68.310 70.420 -2.110 1
1 1070 . 10 1 1 A 82 82 THR N N 82 113.611 112.247 1.364 1
1 1071 . 10 1 1 A 83 83 PRO HA H 83 4.090 4.232 -0.142 1
1 1078 . 10 1 1 A 83 83 PRO CA C 83 63.743 64.471 -0.728 1
1 1079 . 10 1 1 A 83 83 PRO CB C 83 32.167 31.666 0.501 1
1 1082 . 10 1 1 A 84 84 MET HA H 84 4.220 4.662 -0.442 1
1 1090 . 10 1 1 A 84 84 MET C C 84 175.920 174.927 0.993 1
1 1091 . 10 1 1 A 84 84 MET CA C 84 55.880 55.209 0.671 1
1 1092 . 10 1 1 A 84 84 MET CB C 84 33.070 31.975 1.095 1
1 1095 . 10 1 1 A 85 85 SER H H 85 7.256 7.614 -0.358 1
1 1096 . 10 1 1 A 85 85 SER HA H 85 4.401 4.745 -0.344 1
1 1099 . 10 1 1 A 85 85 SER C C 85 173.380 173.470 -0.090 1
1 1100 . 10 1 1 A 85 85 SER CA C 85 58.230 57.138 1.092 1
1 1101 . 10 1 1 A 85 85 SER CB C 85 64.290 65.838 -1.548 1
1 1102 . 10 1 1 A 85 85 SER N N 85 111.370 112.073 -0.703 1
1 1103 . 10 1 1 A 86 86 ASP H H 86 8.517 8.847 -0.330 1
1 1104 . 10 1 1 A 86 86 ASP HA H 86 4.692 4.687 0.005 1
1 1107 . 10 1 1 A 86 86 ASP C C 86 175.860 177.307 -1.447 1
1 1108 . 10 1 1 A 86 86 ASP CA C 86 54.150 55.600 -1.450 1
1 1109 . 10 1 1 A 86 86 ASP CB C 86 41.360 43.196 -1.836 1
1 1110 . 10 1 1 A 86 86 ASP N N 86 123.320 122.130 1.190 1
1 1111 . 10 1 1 A 87 87 ASP H H 87 8.412 8.207 0.205 1
1 1112 . 10 1 1 A 87 87 ASP HA H 87 4.529 4.656 -0.127 1
1 1115 . 10 1 1 A 87 87 ASP C C 87 175.270 176.492 -1.222 1
1 1116 . 10 1 1 A 87 87 ASP CA C 87 54.870 55.887 -1.017 1
1 1117 . 10 1 1 A 87 87 ASP CB C 87 41.580 41.467 0.113 1
1 1118 . 10 1 1 A 87 87 ASP N N 87 118.900 118.070 0.830 1
1 1119 . 10 1 1 A 88 88 LYS H H 88 7.869 7.491 0.378 1
1 1120 . 10 1 1 A 88 88 LYS HA H 88 4.372 4.909 -0.537 1
1 1129 . 10 1 1 A 88 88 LYS C C 88 174.870 175.655 -0.785 1
1 1130 . 10 1 1 A 88 88 LYS CA C 88 54.580 54.666 -0.086 1
1 1131 . 10 1 1 A 88 88 LYS CB C 88 34.047 35.558 -1.511 1
1 1135 . 10 1 1 A 88 88 LYS N N 88 118.310 113.909 4.401 1
1 1136 . 10 1 1 A 89 89 ILE H H 89 8.604 8.478 0.126 1
1 1137 . 10 1 1 A 89 89 ILE HA H 89 3.873 3.963 -0.090 1
1 1147 . 10 1 1 A 89 89 ILE C C 89 174.480 175.845 -1.365 1
1 1148 . 10 1 1 A 89 89 ILE CA C 89 61.890 62.107 -0.217 1
1 1149 . 10 1 1 A 89 89 ILE CB C 89 36.398 37.237 -0.839 1
1 1153 . 10 1 1 A 89 89 ILE N N 89 121.510 122.385 -0.875 1
1 1154 . 10 1 1 A 90 90 GLN H H 90 8.015 8.674 -0.659 1
1 1155 . 10 1 1 A 90 90 GLN HA H 90 5.033 4.594 0.439 1
1 1162 . 10 1 1 A 90 90 GLN CA C 90 52.110 52.232 -0.122 1
1 1163 . 10 1 1 A 90 90 GLN CB C 90 32.045 30.367 1.678 1
1 1165 . 10 1 1 A 90 90 GLN N N 90 126.430 126.740 -0.310 1
1 1167 . 10 1 1 A 91 91 PRO HA H 91 4.508 4.844 -0.336 1
1 1174 . 10 1 1 A 91 91 PRO C C 91 175.210 176.351 -1.141 1
1 1175 . 10 1 1 A 91 91 PRO CA C 91 61.680 62.712 -1.032 1
1 1176 . 10 1 1 A 91 91 PRO CB C 91 32.854 33.183 -0.329 1
1 1179 . 10 1 1 A 92 92 ALA H H 92 8.014 8.440 -0.426 1
1 1180 . 10 1 1 A 92 92 ALA HA H 92 3.931 4.332 -0.401 1
1 1184 . 10 1 1 A 92 92 ALA CA C 92 55.270 53.478 1.792 1
1 1185 . 10 1 1 A 92 92 ALA CB C 92 18.838 19.191 -0.353 1
1 1186 . 10 1 1 A 92 92 ALA N N 92 121.420 121.908 -0.488 1
1 1187 . 10 1 1 A 93 93 SER H H 93 7.391 7.800 -0.409 1
1 1188 . 10 1 1 A 93 93 SER HA H 93 4.223 4.585 -0.362 1
1 1191 . 10 1 1 A 93 93 SER C C 93 171.670 172.757 -1.087 1
1 1192 . 10 1 1 A 93 93 SER CA C 93 57.240 56.842 0.398 1
1 1193 . 10 1 1 A 93 93 SER CB C 93 63.620 64.621 -1.001 1
1 1194 . 10 1 1 A 93 93 SER N N 93 105.210 112.016 -6.806 1
1 1195 . 10 1 1 A 94 94 ALA H H 94 8.276 8.511 -0.235 1
1 1196 . 10 1 1 A 94 94 ALA HA H 94 4.113 4.406 -0.293 1
1 1200 . 10 1 1 A 94 94 ALA C C 94 177.150 176.936 0.214 1
1 1201 . 10 1 1 A 94 94 ALA CA C 94 53.810 51.659 2.151 1
1 1202 . 10 1 1 A 94 94 ALA CB C 94 19.219 17.261 1.958 1
1 1203 . 10 1 1 A 94 94 ALA N N 94 117.972 125.211 -7.239 1
1 1204 . 10 1 1 A 95 95 VAL H H 95 7.886 8.273 -0.387 1
1 1205 . 10 1 1 A 95 95 VAL HA H 95 5.037 4.422 0.615 1
1 1213 . 10 1 1 A 95 95 VAL C C 95 174.060 175.321 -1.261 1
1 1214 . 10 1 1 A 95 95 VAL CA C 95 57.510 61.718 -4.208 1
1 1215 . 10 1 1 A 95 95 VAL CB C 95 35.106 33.201 1.905 1
1 1218 . 10 1 1 A 95 95 VAL N N 95 108.410 117.619 -9.209 1
1 1219 . 10 1 1 A 96 96 ASN H H 96 9.178 9.000 0.178 1
1 1220 . 10 1 1 A 96 96 ASN HA H 96 4.897 5.936 -1.039 1
1 1225 . 10 1 1 A 96 96 ASN C C 96 176.600 173.286 3.314 1
1 1226 . 10 1 1 A 96 96 ASN CA C 96 50.790 51.530 -0.740 1
1 1227 . 10 1 1 A 96 96 ASN CB C 96 39.637 41.671 -2.034 1
1 1228 . 10 1 1 A 96 96 ASN N N 96 121.250 116.735 4.515 1
1 1230 . 10 1 1 A 97 97 VAL H H 97 8.503 8.638 -0.135 1
1 1231 . 10 1 1 A 97 97 VAL HA H 97 4.421 4.437 -0.016 1
1 1239 . 10 1 1 A 97 97 VAL C C 97 176.450 176.332 0.118 1
1 1240 . 10 1 1 A 97 97 VAL CA C 97 66.030 62.672 3.358 1
1 1241 . 10 1 1 A 97 97 VAL CB C 97 30.552 29.479 1.073 1
1 1244 . 10 1 1 A 97 97 VAL N N 97 129.670 123.148 6.522 1
1 1245 . 10 1 1 A 98 98 ILE H H 98 8.129 8.522 -0.393 1
1 1246 . 10 1 1 A 98 98 ILE HA H 98 4.628 3.993 0.635 1
1 1256 . 10 1 1 A 98 98 ILE C C 98 174.270 175.966 -1.696 1
1 1257 . 10 1 1 A 98 98 ILE CA C 98 61.240 61.358 -0.118 1
1 1258 . 10 1 1 A 98 98 ILE CB C 98 39.812 38.073 1.739 1
1 1262 . 10 1 1 A 98 98 ILE N N 98 119.500 122.204 -2.704 1
1 1263 . 10 1 1 A 99 99 GLY H H 99 7.668 7.872 -0.204 1
1 1264 . 10 1 1 A 99 99 GLY HA2 H 99 4.435 4.046 0.389 1
1 1265 . 10 1 1 A 99 99 GLY HA3 H 99 4.637 4.058 0.579 1
1 1266 . 10 1 1 A 99 99 GLY C C 99 172.410 172.240 0.170 1
1 1267 . 10 1 1 A 99 99 GLY CA C 99 46.906 44.893 2.013 1
1 1268 . 10 1 1 A 99 99 GLY N N 99 107.230 110.302 -3.072 1
1 1269 . 10 1 1 A 100 100 LYS H H 100 8.347 8.535 -0.188 1
1 1270 . 10 1 1 A 100 100 LYS HA H 100 5.540 5.117 0.423 1
1 1279 . 10 1 1 A 100 100 LYS C C 100 175.740 174.912 0.828 1
1 1280 . 10 1 1 A 100 100 LYS CA C 100 54.150 54.732 -0.582 1
1 1281 . 10 1 1 A 100 100 LYS CB C 100 37.900 36.220 1.680 1
1 1285 . 10 1 1 A 100 100 LYS N N 100 119.730 120.222 -0.492 1
1 1286 . 10 1 1 A 101 101 ILE H H 101 9.542 9.080 0.462 1
1 1287 . 10 1 1 A 101 101 ILE HA H 101 4.184 4.424 -0.240 1
1 1297 . 10 1 1 A 101 101 ILE C C 101 176.010 176.162 -0.152 1
1 1298 . 10 1 1 A 101 101 ILE CA C 101 62.940 60.987 1.953 1
1 1299 . 10 1 1 A 101 101 ILE CB C 101 39.212 37.445 1.767 1
1 1303 . 10 1 1 A 101 101 ILE N N 101 124.050 121.894 2.156 1
1 1304 . 10 1 1 A 102 102 VAL H H 102 8.728 8.196 0.532 1
1 1305 . 10 1 1 A 102 102 VAL HA H 102 4.591 3.970 0.621 1
1 1313 . 10 1 1 A 102 102 VAL C C 102 175.730 175.876 -0.146 1
1 1314 . 10 1 1 A 102 102 VAL CA C 102 62.030 65.156 -3.126 1
1 1315 . 10 1 1 A 102 102 VAL CB C 102 33.307 32.138 1.169 1
1 1318 . 10 1 1 A 102 102 VAL N N 102 121.420 128.219 -6.799 1
1 1319 . 10 1 1 A 103 103 GLU H H 103 7.912 7.647 0.265 1
1 1320 . 10 1 1 A 103 103 GLU HA H 103 4.661 4.580 0.081 1
1 1325 . 10 1 1 A 103 103 GLU C C 103 176.520 175.965 0.555 1
1 1326 . 10 1 1 A 103 103 GLU CA C 103 56.550 55.384 1.166 1
1 1327 . 10 1 1 A 103 103 GLU CB C 103 34.180 33.219 0.961 1
1 1329 . 10 1 1 A 103 103 GLU N N 103 120.750 119.403 1.347 1
1 1330 . 10 1 1 A 104 104 GLY H H 104 8.934 8.712 0.222 1
1 1331 . 10 1 1 A 104 104 GLY HA2 H 104 3.932 3.972 -0.040 1
1 1332 . 10 1 1 A 104 104 GLY HA3 H 104 4.345 3.996 0.349 1
1 1333 . 10 1 1 A 104 104 GLY C C 104 175.230 174.610 0.620 1
1 1334 . 10 1 1 A 104 104 GLY CA C 104 46.616 46.730 -0.114 1
1 1335 . 10 1 1 A 104 104 GLY N N 104 111.140 111.076 0.064 1
1 1336 . 10 1 1 A 105 105 LEU H H 105 8.158 7.876 0.282 1
1 1337 . 10 1 1 A 105 105 LEU HA H 105 3.702 4.247 -0.545 1
1 1347 . 10 1 1 A 105 105 LEU C C 105 179.250 178.612 0.638 1
1 1348 . 10 1 1 A 105 105 LEU CA C 105 59.400 57.271 2.129 1
1 1349 . 10 1 1 A 105 105 LEU CB C 105 42.743 42.535 0.208 1
1 1353 . 10 1 1 A 105 105 LEU N N 105 121.390 121.503 -0.113 1
1 1354 . 10 1 1 A 106 106 GLU H H 106 8.944 8.353 0.591 1
1 1355 . 10 1 1 A 106 106 GLU HA H 106 3.978 4.063 -0.085 1
1 1360 . 10 1 1 A 106 106 GLU C C 106 178.120 177.889 0.231 1
1 1361 . 10 1 1 A 106 106 GLU CA C 106 58.720 59.581 -0.861 1
1 1362 . 10 1 1 A 106 106 GLU CB C 106 28.920 28.848 0.072 1
1 1364 . 10 1 1 A 106 106 GLU N N 106 113.860 118.421 -4.561 1
1 1365 . 10 1 1 A 107 107 ASP H H 107 7.538 8.079 -0.541 1
1 1366 . 10 1 1 A 107 107 ASP HA H 107 4.344 4.442 -0.098 1
1 1369 . 10 1 1 A 107 107 ASP C C 107 178.190 177.082 1.108 1
1 1370 . 10 1 1 A 107 107 ASP CA C 107 55.780 55.788 -0.008 1
1 1371 . 10 1 1 A 107 107 ASP CB C 107 41.191 40.543 0.648 1
1 1372 . 10 1 1 A 107 107 ASP N N 107 119.620 119.544 0.076 1
1 1373 . 10 1 1 A 108 108 LEU H H 108 7.115 7.365 -0.250 1
1 1374 . 10 1 1 A 108 108 LEU HA H 108 3.357 3.738 -0.381 1
1 1384 . 10 1 1 A 108 108 LEU C C 108 177.920 179.159 -1.239 1
1 1385 . 10 1 1 A 108 108 LEU CA C 108 57.000 56.145 0.855 1
1 1386 . 10 1 1 A 108 108 LEU CB C 108 38.445 40.880 -2.435 1
1 1390 . 10 1 1 A 108 108 LEU N N 108 117.551 118.190 -0.639 1
1 1391 . 10 1 1 A 109 109 LYS H H 109 7.179 7.923 -0.744 1
1 1392 . 10 1 1 A 109 109 LYS HA H 109 3.879 4.269 -0.390 1
1 1401 . 10 1 1 A 109 109 LYS C C 109 176.650 178.008 -1.358 1
1 1402 . 10 1 1 A 109 109 LYS CA C 109 57.792 58.731 -0.939 1
1 1403 . 10 1 1 A 109 109 LYS CB C 109 32.184 32.228 -0.044 1
1 1407 . 10 1 1 A 109 109 LYS N N 109 115.080 118.993 -3.913 1
1 1408 . 10 1 1 A 110 110 LYS H H 110 7.364 7.969 -0.605 1
1 1409 . 10 1 1 A 110 110 LYS HA H 110 4.016 4.423 -0.407 1
1 1418 . 10 1 1 A 110 110 LYS C C 110 175.890 176.198 -0.308 1
1 1419 . 10 1 1 A 110 110 LYS CA C 110 56.550 56.927 -0.377 1
1 1420 . 10 1 1 A 110 110 LYS CB C 110 32.972 32.274 0.698 1
1 1424 . 10 1 1 A 110 110 LYS N N 110 116.720 114.081 2.639 1
1 1425 . 10 1 1 A 111 111 ILE H H 111 6.626 7.159 -0.533 1
1 1426 . 10 1 1 A 111 111 ILE HA H 111 3.531 3.956 -0.425 1
1 1436 . 10 1 1 A 111 111 ILE C C 111 176.180 175.505 0.675 1
1 1437 . 10 1 1 A 111 111 ILE CA C 111 59.950 61.018 -1.068 1
1 1438 . 10 1 1 A 111 111 ILE CB C 111 34.946 38.140 -3.194 1
1 1442 . 10 1 1 A 111 111 ILE N N 111 117.000 122.096 -5.096 1
1 1443 . 10 1 1 A 112 112 LYS H H 112 8.388 8.475 -0.087 1
1 1444 . 10 1 1 A 112 112 LYS HA H 112 4.356 4.670 -0.314 1
1 1453 . 10 1 1 A 112 112 LYS C C 112 175.750 177.500 -1.750 1
1 1454 . 10 1 1 A 112 112 LYS CA C 112 54.430 54.380 0.050 1
1 1455 . 10 1 1 A 112 112 LYS CB C 112 33.936 35.198 -1.262 1
1 1459 . 10 1 1 A 112 112 LYS N N 112 128.240 123.923 4.317 1
1 1460 . 10 1 1 A 113 113 ASP H H 113 8.103 8.903 -0.800 1
1 1461 . 10 1 1 A 113 113 ASP HA H 113 4.026 4.821 -0.795 1
1 1464 . 10 1 1 A 113 113 ASP C C 113 177.630 176.464 1.166 1
1 1465 . 10 1 1 A 113 113 ASP CA C 113 56.660 54.548 2.112 1
1 1466 . 10 1 1 A 113 113 ASP CB C 113 42.033 41.114 0.919 1
1 1467 . 10 1 1 A 113 113 ASP N N 113 119.040 120.993 -1.953 1
1 1468 . 10 1 1 A 114 114 GLY H H 114 8.635 7.326 1.309 1
1 1469 . 10 1 1 A 114 114 GLY HA2 H 114 3.547 4.043 -0.496 1
1 1470 . 10 1 1 A 114 114 GLY HA3 H 114 4.229 4.043 0.186 1
1 1471 . 10 1 1 A 114 114 GLY C C 114 174.640 173.843 0.797 1
1 1472 . 10 1 1 A 114 114 GLY CA C 114 45.403 45.678 -0.275 1
1 1473 . 10 1 1 A 114 114 GLY N N 114 113.170 105.097 8.073 1
1 1474 . 10 1 1 A 115 115 GLU H H 115 7.346 8.690 -1.344 1
1 1475 . 10 1 1 A 115 115 GLU HA H 115 4.113 4.650 -0.537 1
1 1480 . 10 1 1 A 115 115 GLU C C 115 175.840 175.405 0.435 1
1 1481 . 10 1 1 A 115 115 GLU CA C 115 58.180 55.639 2.541 1
1 1482 . 10 1 1 A 115 115 GLU CB C 115 30.902 30.022 0.880 1
1 1484 . 10 1 1 A 115 115 GLU N N 115 119.440 121.987 -2.547 1
1 1485 . 10 1 1 A 116 116 LYS H H 116 9.107 7.959 1.148 1
1 1486 . 10 1 1 A 116 116 LYS HA H 116 4.529 3.858 0.671 1
1 1495 . 10 1 1 A 116 116 LYS C C 116 176.050 175.149 0.901 1
1 1496 . 10 1 1 A 116 116 LYS CA C 116 56.820 57.039 -0.219 1
1 1497 . 10 1 1 A 116 116 LYS CB C 116 33.358 30.677 2.681 1
1 1501 . 10 1 1 A 116 116 LYS N N 116 121.800 115.712 6.088 1
1 1502 . 10 1 1 A 117 117 VAL H H 117 7.860 7.565 0.295 1
1 1503 . 10 1 1 A 117 117 VAL HA H 117 4.668 4.316 0.352 1
1 1511 . 10 1 1 A 117 117 VAL C C 117 171.630 174.105 -2.475 1
1 1512 . 10 1 1 A 117 117 VAL CA C 117 57.440 61.555 -4.115 1
1 1513 . 10 1 1 A 117 117 VAL CB C 117 34.614 31.544 3.070 1
1 1516 . 10 1 1 A 117 117 VAL N N 117 118.940 118.422 0.518 1
1 1517 . 10 1 1 A 118 118 ALA H H 118 8.310 8.400 -0.090 1
1 1518 . 10 1 1 A 118 118 ALA HA H 118 4.506 4.390 0.116 1
1 1522 . 10 1 1 A 118 118 ALA C C 118 174.660 176.184 -1.524 1
1 1523 . 10 1 1 A 118 118 ALA CA C 118 50.370 51.110 -0.740 1
1 1524 . 10 1 1 A 118 118 ALA CB C 118 20.250 18.908 1.342 1
1 1525 . 10 1 1 A 118 118 ALA N N 118 130.190 131.961 -1.771 1
1 1526 . 10 1 1 A 119 119 VAL H H 119 8.295 8.353 -0.058 1
1 1527 . 10 1 1 A 119 119 VAL HA H 119 4.096 4.096 0.000 1
1 1535 . 10 1 1 A 119 119 VAL C C 119 175.320 175.700 -0.380 1
1 1536 . 10 1 1 A 119 119 VAL CA C 119 61.570 61.973 -0.403 1
1 1537 . 10 1 1 A 119 119 VAL CB C 119 31.445 31.413 0.032 1
1 1540 . 10 1 1 A 119 119 VAL N N 119 123.160 123.146 0.014 1
1 1541 . 10 1 1 A 120 120 ARG H H 120 8.596 9.010 -0.414 1
1 1542 . 10 1 1 A 120 120 ARG HA H 120 4.534 4.659 -0.125 1
1 1550 . 10 1 1 A 120 120 ARG C C 120 175.260 176.340 -1.080 1
1 1551 . 10 1 1 A 120 120 ARG CA C 120 53.740 53.599 0.141 1
1 1552 . 10 1 1 A 120 120 ARG CB C 120 34.359 33.748 0.611 1
1 1555 . 10 1 1 A 120 120 ARG N N 120 123.692 126.711 -3.019 1
1 1557 . 10 1 1 A 121 121 PHE H H 121 8.585 8.843 -0.258 1
1 1558 . 10 1 1 A 121 121 PHE HA H 121 4.591 4.397 0.194 1
1 1566 . 10 1 1 A 121 121 PHE C C 121 176.430 175.698 0.732 1
1 1567 . 10 1 1 A 121 121 PHE CA C 121 60.370 57.664 2.706 1
1 1568 . 10 1 1 A 121 121 PHE CB C 121 38.713 38.884 -0.171 1
1 1572 . 10 1 1 A 121 121 PHE N N 121 120.110 120.567 -0.457 1
1 1573 . 10 1 1 A 122 122 ALA H H 122 7.896 7.965 -0.069 1
1 1574 . 10 1 1 A 122 122 ALA HA H 122 4.304 3.959 0.345 1
1 1578 . 10 1 1 A 122 122 ALA C C 122 177.430 177.834 -0.404 1
1 1579 . 10 1 1 A 122 122 ALA CA C 122 52.050 54.277 -2.227 1
1 1580 . 10 1 1 A 122 122 ALA CB C 122 19.865 18.060 1.805 1
1 1581 . 10 1 1 A 122 122 ALA N N 122 123.820 121.462 2.358 1
1 1582 . 10 1 1 A 123 123 SER H H 123 8.675 8.776 -0.101 1
1 1583 . 10 1 1 A 123 123 SER HA H 123 4.372 4.224 0.148 1
1 1586 . 10 1 1 A 123 123 SER C C 123 173.630 174.764 -1.134 1
1 1587 . 10 1 1 A 123 123 SER CA C 123 58.750 59.092 -0.342 1
1 1588 . 10 1 1 A 123 123 SER CB C 123 63.870 60.990 2.880 1
1 1589 . 10 1 1 A 123 123 SER N N 123 117.330 114.485 2.845 1
1 14 . 11 1 1 A 2 2 ARG H H 2 9.247 8.610 0.637 1
1 15 . 11 1 1 A 2 2 ARG HA H 2 5.249 4.591 0.658 1
1 23 . 11 1 1 A 2 2 ARG C C 2 176.020 175.165 0.855 1
1 24 . 11 1 1 A 2 2 ARG CA C 2 56.360 56.694 -0.334 1
1 25 . 11 1 1 A 2 2 ARG CB C 2 31.953 31.636 0.317 1
1 28 . 11 1 1 A 2 2 ARG N N 2 129.420 126.418 3.002 1
1 30 . 11 1 1 A 3 3 VAL H H 3 9.361 8.655 0.706 1
1 31 . 11 1 1 A 3 3 VAL HA H 3 4.464 4.652 -0.188 1
1 39 . 11 1 1 A 3 3 VAL C C 3 173.160 174.599 -1.439 1
1 40 . 11 1 1 A 3 3 VAL CA C 3 61.330 61.564 -0.234 1
1 41 . 11 1 1 A 3 3 VAL CB C 3 36.251 34.514 1.737 1
1 44 . 11 1 1 A 3 3 VAL N N 3 126.750 120.659 6.091 1
1 45 . 11 1 1 A 4 4 GLU H H 4 9.294 9.008 0.286 1
1 46 . 11 1 1 A 4 4 GLU HA H 4 4.807 4.848 -0.041 1
1 51 . 11 1 1 A 4 4 GLU C C 4 173.020 175.439 -2.419 1
1 52 . 11 1 1 A 4 4 GLU CA C 4 54.890 56.014 -1.124 1
1 53 . 11 1 1 A 4 4 GLU CB C 4 33.146 30.684 2.462 1
1 55 . 11 1 1 A 4 4 GLU N N 4 128.550 128.425 0.125 1
1 56 . 11 1 1 A 5 5 LEU H H 5 8.685 9.068 -0.383 1
1 57 . 11 1 1 A 5 5 LEU HA H 5 4.547 4.449 0.098 1
1 67 . 11 1 1 A 5 5 LEU C C 5 173.750 174.818 -1.068 1
1 68 . 11 1 1 A 5 5 LEU CA C 5 52.450 53.247 -0.797 1
1 69 . 11 1 1 A 5 5 LEU CB C 5 41.998 41.849 0.149 1
1 73 . 11 1 1 A 5 5 LEU N N 5 124.490 127.632 -3.142 1
1 74 . 11 1 1 A 6 6 LEU H H 6 8.608 8.814 -0.206 1
1 75 . 11 1 1 A 6 6 LEU HA H 6 4.502 4.688 -0.186 1
1 85 . 11 1 1 A 6 6 LEU C C 6 176.550 174.883 1.667 1
1 86 . 11 1 1 A 6 6 LEU CA C 6 53.790 53.040 0.750 1
1 87 . 11 1 1 A 6 6 LEU CB C 6 42.240 43.980 -1.740 1
1 91 . 11 1 1 A 6 6 LEU N N 6 123.330 126.397 -3.067 1
1 92 . 11 1 1 A 7 7 PHE H H 7 8.344 8.925 -0.581 1
1 93 . 11 1 1 A 7 7 PHE HA H 7 5.378 4.888 0.490 1
1 101 . 11 1 1 A 7 7 PHE C C 7 175.050 176.063 -1.013 1
1 102 . 11 1 1 A 7 7 PHE CA C 7 55.830 56.866 -1.036 1
1 103 . 11 1 1 A 7 7 PHE CB C 7 39.383 42.990 -3.607 1
1 108 . 11 1 1 A 7 7 PHE N N 7 125.190 122.237 2.953 1
1 109 . 11 1 1 A 8 8 GLU H H 8 8.226 9.038 -0.812 1
1 110 . 11 1 1 A 8 8 GLU HA H 8 4.266 4.168 0.098 1
1 115 . 11 1 1 A 8 8 GLU C C 8 180.740 177.204 3.536 1
1 116 . 11 1 1 A 8 8 GLU CA C 8 59.530 59.428 0.102 1
1 117 . 11 1 1 A 8 8 GLU CB C 8 29.723 29.552 0.171 1
1 119 . 11 1 1 A 8 8 GLU N N 8 120.100 122.005 -1.905 1
1 120 . 11 1 1 A 9 9 SER H H 9 9.069 8.143 0.926 1
1 121 . 11 1 1 A 9 9 SER HA H 9 4.467 4.659 -0.192 1
1 124 . 11 1 1 A 9 9 SER C C 9 173.740 173.926 -0.186 1
1 125 . 11 1 1 A 9 9 SER CA C 9 58.600 58.676 -0.076 1
1 126 . 11 1 1 A 9 9 SER CB C 9 63.120 64.630 -1.510 1
1 127 . 11 1 1 A 9 9 SER N N 9 112.770 112.219 0.551 1
1 128 . 11 1 1 A 10 10 GLY H H 10 6.925 7.611 -0.686 1
1 129 . 11 1 1 A 10 10 GLY HA2 H 10 3.896 4.075 -0.179 1
1 130 . 11 1 1 A 10 10 GLY HA3 H 10 3.896 4.091 -0.195 1
1 131 . 11 1 1 A 10 10 GLY C C 10 170.040 171.291 -1.251 1
1 132 . 11 1 1 A 10 10 GLY CA C 10 45.466 46.075 -0.609 1
1 133 . 11 1 1 A 10 10 GLY N N 10 105.760 106.084 -0.324 1
1 134 . 11 1 1 A 11 11 LYS H H 11 9.071 9.050 0.021 1
1 135 . 11 1 1 A 11 11 LYS HA H 11 5.484 5.472 0.012 1
1 144 . 11 1 1 A 11 11 LYS C C 11 174.230 174.607 -0.377 1
1 145 . 11 1 1 A 11 11 LYS CA C 11 55.460 54.838 0.622 1
1 146 . 11 1 1 A 11 11 LYS CB C 11 36.408 36.319 0.089 1
1 150 . 11 1 1 A 11 11 LYS N N 11 118.960 116.951 2.009 1
1 151 . 11 1 1 A 12 12 CYS H H 12 8.917 9.358 -0.441 1
1 152 . 11 1 1 A 12 12 CYS HA H 12 5.083 5.546 -0.463 1
1 155 . 11 1 1 A 12 12 CYS C C 12 171.760 173.208 -1.448 1
1 156 . 11 1 1 A 12 12 CYS CA C 12 56.770 56.395 0.375 1
1 157 . 11 1 1 A 12 12 CYS CB C 12 31.267 32.436 -1.169 1
1 158 . 11 1 1 A 12 12 CYS N N 12 115.700 119.584 -3.884 1
1 159 . 11 1 1 A 13 13 VAL H H 13 8.474 8.943 -0.469 1
1 160 . 11 1 1 A 13 13 VAL HA H 13 4.992 4.823 0.169 1
1 168 . 11 1 1 A 13 13 VAL C C 13 175.660 175.587 0.073 1
1 169 . 11 1 1 A 13 13 VAL CA C 13 61.490 61.160 0.330 1
1 170 . 11 1 1 A 13 13 VAL CB C 13 35.125 35.129 -0.004 1
1 173 . 11 1 1 A 13 13 VAL N N 13 120.490 120.131 0.359 1
1 174 . 11 1 1 A 14 14 ILE H H 14 9.378 9.299 0.079 1
1 175 . 11 1 1 A 14 14 ILE HA H 14 5.335 5.219 0.116 1
1 185 . 11 1 1 A 14 14 ILE C C 14 172.570 174.478 -1.908 1
1 186 . 11 1 1 A 14 14 ILE CA C 14 58.540 58.978 -0.438 1
1 187 . 11 1 1 A 14 14 ILE CB C 14 40.755 41.147 -0.392 1
1 191 . 11 1 1 A 14 14 ILE N N 14 120.140 122.857 -2.717 1
1 192 . 11 1 1 A 15 15 ASP H H 15 9.295 8.599 0.696 1
1 193 . 11 1 1 A 15 15 ASP HA H 15 5.274 5.572 -0.298 1
1 196 . 11 1 1 A 15 15 ASP C C 15 176.510 174.816 1.694 1
1 197 . 11 1 1 A 15 15 ASP CA C 15 53.050 52.480 0.570 1
1 198 . 11 1 1 A 15 15 ASP CB C 15 44.007 43.075 0.932 1
1 199 . 11 1 1 A 15 15 ASP N N 15 123.200 121.804 1.396 1
1 200 . 11 1 1 A 16 16 LEU H H 16 8.892 9.296 -0.404 1
1 201 . 11 1 1 A 16 16 LEU HA H 16 4.981 5.282 -0.301 1
1 211 . 11 1 1 A 16 16 LEU C C 16 175.430 175.272 0.158 1
1 212 . 11 1 1 A 16 16 LEU CA C 16 53.040 53.527 -0.487 1
1 213 . 11 1 1 A 16 16 LEU CB C 16 45.782 45.388 0.394 1
1 217 . 11 1 1 A 16 16 LEU N N 16 123.620 126.021 -2.401 1
1 218 . 11 1 1 A 17 17 ASN H H 17 8.694 9.063 -0.369 1
1 219 . 11 1 1 A 17 17 ASN HA H 17 4.632 5.051 -0.419 1
1 224 . 11 1 1 A 17 17 ASN C C 17 175.500 175.911 -0.411 1
1 225 . 11 1 1 A 17 17 ASN CA C 17 53.310 52.522 0.788 1
1 226 . 11 1 1 A 17 17 ASN CB C 17 38.508 40.489 -1.981 1
1 227 . 11 1 1 A 17 17 ASN N N 17 121.330 122.182 -0.852 1
1 229 . 11 1 1 A 18 18 GLU H H 18 8.793 9.139 -0.346 1
1 230 . 11 1 1 A 18 18 GLU HA H 18 3.736 4.445 -0.709 1
1 235 . 11 1 1 A 18 18 GLU C C 18 175.250 177.115 -1.865 1
1 236 . 11 1 1 A 18 18 GLU CA C 18 58.330 56.546 1.784 1
1 237 . 11 1 1 A 18 18 GLU CB C 18 29.947 29.914 0.033 1
1 239 . 11 1 1 A 18 18 GLU N N 18 124.750 126.826 -2.076 1
1 240 . 11 1 1 A 19 19 GLU H H 19 8.187 7.878 0.309 1
1 241 . 11 1 1 A 19 19 GLU HA H 19 3.885 4.278 -0.393 1
1 246 . 11 1 1 A 19 19 GLU C C 19 177.350 175.177 2.173 1
1 247 . 11 1 1 A 19 19 GLU CA C 19 57.730 56.000 1.730 1
1 248 . 11 1 1 A 19 19 GLU CB C 19 29.744 29.936 -0.192 1
1 250 . 11 1 1 A 19 19 GLU N N 19 117.280 117.924 -0.644 1
1 251 . 11 1 1 A 20 20 TYR H H 20 7.135 7.080 0.055 1
1 252 . 11 1 1 A 20 20 TYR HA H 20 4.668 4.851 -0.183 1
1 259 . 11 1 1 A 20 20 TYR CA C 20 56.050 58.099 -2.049 1
1 260 . 11 1 1 A 20 20 TYR CB C 20 38.464 40.062 -1.598 1
1 263 . 11 1 1 A 20 20 TYR N N 20 117.730 119.585 -1.855 1
1 264 . 11 1 1 A 21 21 GLU H H 21 10.044 9.087 0.957 1
1 265 . 11 1 1 A 21 21 GLU HA H 21 3.807 3.943 -0.136 1
1 270 . 11 1 1 A 21 21 GLU C C 21 179.150 178.609 0.541 1
1 271 . 11 1 1 A 21 21 GLU CA C 21 60.640 60.104 0.536 1
1 272 . 11 1 1 A 21 21 GLU CB C 21 29.167 29.856 -0.689 1
1 274 . 11 1 1 A 21 21 GLU N N 21 129.480 124.946 4.534 1
1 275 . 11 1 1 A 22 22 VAL H H 22 9.539 8.057 1.482 1
1 276 . 11 1 1 A 22 22 VAL HA H 22 3.574 3.732 -0.158 1
1 284 . 11 1 1 A 22 22 VAL C C 22 175.490 178.574 -3.084 1
1 285 . 11 1 1 A 22 22 VAL CA C 22 64.470 66.335 -1.865 1
1 286 . 11 1 1 A 22 22 VAL CB C 22 30.858 31.609 -0.751 1
1 289 . 11 1 1 A 22 22 VAL N N 22 115.360 119.840 -4.480 1
1 290 . 11 1 1 A 23 23 VAL H H 23 6.843 8.120 -1.277 1
1 291 . 11 1 1 A 23 23 VAL HA H 23 3.387 3.722 -0.335 1
1 299 . 11 1 1 A 23 23 VAL C C 23 176.900 178.540 -1.640 1
1 300 . 11 1 1 A 23 23 VAL CA C 23 67.030 66.990 0.040 1
1 301 . 11 1 1 A 23 23 VAL CB C 23 31.499 31.626 -0.127 1
1 304 . 11 1 1 A 23 23 VAL N N 23 121.150 120.816 0.334 1
1 305 . 11 1 1 A 24 24 LYS H H 24 7.533 7.815 -0.282 1
1 306 . 11 1 1 A 24 24 LYS HA H 24 3.851 4.096 -0.245 1
1 315 . 11 1 1 A 24 24 LYS C C 24 179.820 179.603 0.217 1
1 316 . 11 1 1 A 24 24 LYS CA C 24 60.480 59.733 0.747 1
1 317 . 11 1 1 A 24 24 LYS CB C 24 32.626 32.324 0.302 1
1 321 . 11 1 1 A 24 24 LYS N N 24 120.120 119.561 0.559 1
1 322 . 11 1 1 A 25 25 LEU H H 25 7.870 8.142 -0.272 1
1 323 . 11 1 1 A 25 25 LEU HA H 25 4.097 4.093 0.004 1
1 333 . 11 1 1 A 25 25 LEU C C 25 180.620 179.494 1.126 1
1 334 . 11 1 1 A 25 25 LEU CA C 25 57.440 57.937 -0.497 1
1 335 . 11 1 1 A 25 25 LEU CB C 25 41.717 41.068 0.649 1
1 339 . 11 1 1 A 25 25 LEU N N 25 117.260 120.102 -2.842 1
1 340 . 11 1 1 A 26 26 LEU H H 26 8.489 8.557 -0.068 1
1 341 . 11 1 1 A 26 26 LEU HA H 26 3.703 3.900 -0.197 1
1 351 . 11 1 1 A 26 26 LEU C C 26 178.820 179.357 -0.537 1
1 352 . 11 1 1 A 26 26 LEU CA C 26 58.310 57.745 0.565 1
1 353 . 11 1 1 A 26 26 LEU CB C 26 42.487 41.419 1.068 1
1 357 . 11 1 1 A 26 26 LEU N N 26 121.760 119.649 2.111 1
1 358 . 11 1 1 A 27 27 LYS H H 27 8.190 8.109 0.081 1
1 359 . 11 1 1 A 27 27 LYS HA H 27 3.799 4.403 -0.604 1
1 368 . 11 1 1 A 27 27 LYS C C 27 177.470 178.854 -1.384 1
1 369 . 11 1 1 A 27 27 LYS CA C 27 60.480 59.309 1.171 1
1 370 . 11 1 1 A 27 27 LYS CB C 27 33.472 32.127 1.345 1
1 374 . 11 1 1 A 27 27 LYS N N 27 117.650 121.445 -3.795 1
1 375 . 11 1 1 A 28 28 GLU H H 28 6.841 8.076 -1.235 1
1 376 . 11 1 1 A 28 28 GLU HA H 28 4.238 4.274 -0.036 1
1 381 . 11 1 1 A 28 28 GLU C C 28 177.280 177.570 -0.290 1
1 382 . 11 1 1 A 28 28 GLU CA C 28 57.370 58.478 -1.108 1
1 383 . 11 1 1 A 28 28 GLU CB C 28 30.480 29.917 0.563 1
1 385 . 11 1 1 A 28 28 GLU N N 28 111.940 117.428 -5.488 1
1 386 . 11 1 1 A 29 29 LYS H H 29 7.577 8.096 -0.519 1
1 387 . 11 1 1 A 29 29 LYS HA H 29 4.414 4.482 -0.068 1
1 396 . 11 1 1 A 29 29 LYS C C 29 175.230 175.079 0.151 1
1 397 . 11 1 1 A 29 29 LYS CA C 29 53.800 55.053 -1.253 1
1 398 . 11 1 1 A 29 29 LYS CB C 29 33.530 32.340 1.190 1
1 402 . 11 1 1 A 29 29 LYS N N 29 115.460 117.403 -1.943 1
1 403 . 11 1 1 A 30 30 ILE H H 30 6.921 7.605 -0.684 1
1 404 . 11 1 1 A 30 30 ILE HA H 30 3.939 4.669 -0.730 1
1 414 . 11 1 1 A 30 30 ILE CA C 30 60.290 57.434 2.856 1
1 415 . 11 1 1 A 30 30 ILE CB C 30 39.967 40.872 -0.905 1
1 419 . 11 1 1 A 30 30 ILE N N 30 122.100 121.531 0.569 1
1 420 . 11 1 1 A 31 31 PRO HA H 31 4.840 4.794 0.046 1
1 427 . 11 1 1 A 31 31 PRO C C 31 175.340 176.335 -0.995 1
1 428 . 11 1 1 A 31 31 PRO CA C 31 62.720 62.530 0.190 1
1 429 . 11 1 1 A 31 31 PRO CB C 31 36.350 33.043 3.307 1
1 432 . 11 1 1 A 32 32 PHE H H 32 7.627 8.869 -1.242 1
1 433 . 11 1 1 A 32 32 PHE HA H 32 4.959 5.062 -0.103 1
1 441 . 11 1 1 A 32 32 PHE C C 32 171.870 172.305 -0.435 1
1 442 . 11 1 1 A 32 32 PHE CA C 32 56.300 56.344 -0.044 1
1 443 . 11 1 1 A 32 32 PHE CB C 32 40.253 41.471 -1.218 1
1 447 . 11 1 1 A 32 32 PHE N N 32 112.880 117.230 -4.350 1
1 448 . 11 1 1 A 33 33 GLU H H 33 8.728 8.715 0.013 1
1 449 . 11 1 1 A 33 33 GLU HA H 33 5.309 5.233 0.076 1
1 454 . 11 1 1 A 33 33 GLU C C 33 175.630 175.168 0.462 1
1 455 . 11 1 1 A 33 33 GLU CA C 33 54.450 54.733 -0.283 1
1 456 . 11 1 1 A 33 33 GLU CB C 33 33.814 33.162 0.652 1
1 458 . 11 1 1 A 33 33 GLU N N 33 118.710 119.509 -0.799 1
1 459 . 11 1 1 A 34 34 SER H H 34 8.964 8.594 0.370 1
1 460 . 11 1 1 A 34 34 SER HA H 34 4.803 4.954 -0.151 1
1 463 . 11 1 1 A 34 34 SER C C 34 174.560 172.651 1.909 1
1 464 . 11 1 1 A 34 34 SER CA C 34 55.830 56.569 -0.739 1
1 465 . 11 1 1 A 34 34 SER CB C 34 64.270 65.730 -1.460 1
1 466 . 11 1 1 A 34 34 SER N N 34 115.150 115.408 -0.258 1
1 467 . 11 1 1 A 35 35 VAL H H 35 8.322 8.597 -0.275 1
1 468 . 11 1 1 A 35 35 VAL HA H 35 4.724 4.428 0.296 1
1 476 . 11 1 1 A 35 35 VAL C C 35 174.950 175.590 -0.640 1
1 477 . 11 1 1 A 35 35 VAL CA C 35 61.350 61.671 -0.321 1
1 478 . 11 1 1 A 35 35 VAL CB C 35 35.676 32.684 2.992 1
1 481 . 11 1 1 A 35 35 VAL N N 35 121.700 122.412 -0.712 1
1 482 . 11 1 1 A 36 36 VAL H H 36 9.200 8.764 0.436 1
1 483 . 11 1 1 A 36 36 VAL HA H 36 3.999 4.226 -0.227 1
1 491 . 11 1 1 A 36 36 VAL C C 36 175.490 174.993 0.497 1
1 492 . 11 1 1 A 36 36 VAL CA C 36 63.900 62.364 1.536 1
1 493 . 11 1 1 A 36 36 VAL CB C 36 33.593 30.134 3.459 1
1 496 . 11 1 1 A 36 36 VAL N N 36 123.870 128.231 -4.361 1
1 497 . 11 1 1 A 37 37 ASN H H 37 8.739 8.106 0.633 1
1 498 . 11 1 1 A 37 37 ASN HA H 37 5.276 4.632 0.644 1
1 503 . 11 1 1 A 37 37 ASN C C 37 174.040 175.196 -1.156 1
1 504 . 11 1 1 A 37 37 ASN CA C 37 51.960 53.906 -1.946 1
1 505 . 11 1 1 A 37 37 ASN CB C 37 41.996 38.494 3.502 1
1 506 . 11 1 1 A 37 37 ASN N N 37 123.895 123.736 0.159 1
1 508 . 11 1 1 A 38 38 THR H H 38 8.703 8.819 -0.116 1
1 509 . 11 1 1 A 38 38 THR HA H 38 5.323 5.416 -0.093 1
1 514 . 11 1 1 A 38 38 THR C C 38 174.910 173.420 1.490 1
1 515 . 11 1 1 A 38 38 THR CA C 38 59.740 59.760 -0.020 1
1 516 . 11 1 1 A 38 38 THR CB C 38 71.332 72.122 -0.790 1
1 518 . 11 1 1 A 38 38 THR N N 38 111.440 111.566 -0.126 1
1 519 . 11 1 1 A 39 39 TRP H H 39 8.489 9.199 -0.710 1
1 520 . 11 1 1 A 39 39 TRP HA H 39 4.838 4.881 -0.043 1
1 529 . 11 1 1 A 39 39 TRP C C 39 175.270 175.844 -0.574 1
1 530 . 11 1 1 A 39 39 TRP CA C 39 57.040 56.984 0.056 1
1 531 . 11 1 1 A 39 39 TRP CB C 39 29.089 31.128 -2.039 1
1 537 . 11 1 1 A 39 39 TRP N N 39 125.321 123.732 1.589 1
1 539 . 11 1 1 A 40 40 GLY H H 40 8.596 9.525 -0.929 1
1 540 . 11 1 1 A 40 40 GLY HA2 H 40 3.528 3.523 0.005 1
1 541 . 11 1 1 A 40 40 GLY HA3 H 40 3.465 3.669 -0.204 1
1 542 . 11 1 1 A 40 40 GLY CA C 40 47.619 46.849 0.770 1
1 543 . 11 1 1 A 40 40 GLY N N 40 113.220 115.477 -2.257 1
1 544 . 11 1 1 A 41 41 GLU H H 41 7.870 8.371 -0.501 1
1 545 . 11 1 1 A 41 41 GLU HA H 41 3.717 3.055 0.662 1
1 550 . 11 1 1 A 41 41 GLU C C 41 171.810 174.002 -2.192 1
1 551 . 11 1 1 A 41 41 GLU CA C 41 55.390 57.484 -2.094 1
1 552 . 11 1 1 A 41 41 GLU CB C 41 26.025 27.370 -1.345 1
1 554 . 11 1 1 A 41 41 GLU N N 41 128.227 110.244 17.983 1
1 555 . 11 1 1 A 42 42 GLU H H 42 7.158 7.606 -0.448 1
1 556 . 11 1 1 A 42 42 GLU HA H 42 4.811 5.330 -0.519 1
1 561 . 11 1 1 A 42 42 GLU C C 42 175.680 174.730 0.950 1
1 562 . 11 1 1 A 42 42 GLU CA C 42 53.860 55.088 -1.228 1
1 563 . 11 1 1 A 42 42 GLU CB C 42 31.149 33.323 -2.174 1
1 565 . 11 1 1 A 42 42 GLU N N 42 116.880 118.293 -1.413 1
1 566 . 11 1 1 A 43 43 ILE H H 43 8.226 8.617 -0.391 1
1 567 . 11 1 1 A 43 43 ILE HA H 43 4.934 5.248 -0.314 1
1 577 . 11 1 1 A 43 43 ILE C C 43 174.420 174.667 -0.247 1
1 578 . 11 1 1 A 43 43 ILE CA C 43 59.250 60.404 -1.154 1
1 579 . 11 1 1 A 43 43 ILE CB C 43 43.278 40.652 2.626 1
1 583 . 11 1 1 A 43 43 ILE N N 43 125.120 125.596 -0.476 1
1 584 . 11 1 1 A 44 44 TYR H H 44 9.318 8.984 0.334 1
1 585 . 11 1 1 A 44 44 TYR HA H 44 6.008 5.384 0.624 1
1 592 . 11 1 1 A 44 44 TYR C C 44 174.150 172.985 1.165 1
1 593 . 11 1 1 A 44 44 TYR CA C 44 55.740 55.763 -0.023 1
1 594 . 11 1 1 A 44 44 TYR CB C 44 42.606 42.105 0.501 1
1 597 . 11 1 1 A 44 44 TYR N N 44 124.370 123.414 0.956 1
1 598 . 11 1 1 A 45 45 PHE H H 45 8.211 8.755 -0.544 1
1 599 . 11 1 1 A 45 45 PHE HA H 45 5.088 5.669 -0.581 1
1 607 . 11 1 1 A 45 45 PHE C C 45 173.730 173.855 -0.125 1
1 608 . 11 1 1 A 45 45 PHE CA C 45 55.140 55.340 -0.200 1
1 609 . 11 1 1 A 45 45 PHE CB C 45 40.793 42.703 -1.910 1
1 613 . 11 1 1 A 45 45 PHE N N 45 114.110 117.781 -3.671 1
1 614 . 11 1 1 A 46 46 SER H H 46 9.523 8.977 0.546 1
1 615 . 11 1 1 A 46 46 SER HA H 46 4.316 4.960 -0.644 1
1 618 . 11 1 1 A 46 46 SER C C 46 174.360 174.554 -0.194 1
1 619 . 11 1 1 A 46 46 SER CA C 46 59.960 58.229 1.731 1
1 620 . 11 1 1 A 46 46 SER CB C 46 63.980 61.560 2.420 1
1 621 . 11 1 1 A 46 46 SER N N 46 117.150 117.602 -0.452 1
1 622 . 11 1 1 A 47 47 THR H H 47 8.225 8.361 -0.136 1
1 623 . 11 1 1 A 47 47 THR HA H 47 4.971 4.703 0.268 1
1 628 . 11 1 1 A 47 47 THR CA C 47 59.160 60.731 -1.571 1
1 629 . 11 1 1 A 47 47 THR CB C 47 70.385 68.963 1.422 1
1 631 . 11 1 1 A 47 47 THR N N 47 113.910 118.483 -4.573 1
1 632 . 11 1 1 A 48 48 PRO HA H 48 4.585 4.439 0.146 1
1 639 . 11 1 1 A 48 48 PRO C C 48 175.940 175.917 0.023 1
1 640 . 11 1 1 A 48 48 PRO CA C 48 62.410 63.739 -1.329 1
1 641 . 11 1 1 A 48 48 PRO CB C 48 31.770 31.603 0.167 1
1 644 . 11 1 1 A 49 49 VAL H H 49 7.458 7.644 -0.186 1
1 645 . 11 1 1 A 49 49 VAL HA H 49 4.178 4.133 0.045 1
1 653 . 11 1 1 A 49 49 VAL C C 49 174.070 174.859 -0.789 1
1 654 . 11 1 1 A 49 49 VAL CA C 49 60.840 61.688 -0.848 1
1 655 . 11 1 1 A 49 49 VAL CB C 49 34.134 33.029 1.105 1
1 658 . 11 1 1 A 49 49 VAL N N 49 114.800 119.714 -4.914 1
1 659 . 11 1 1 A 50 50 ASN H H 50 8.897 8.943 -0.046 1
1 660 . 11 1 1 A 50 50 ASN HA H 50 4.684 5.323 -0.639 1
1 665 . 11 1 1 A 50 50 ASN C C 50 173.550 174.325 -0.775 1
1 666 . 11 1 1 A 50 50 ASN CA C 50 51.610 51.773 -0.163 1
1 667 . 11 1 1 A 50 50 ASN CB C 50 39.730 40.446 -0.716 1
1 668 . 11 1 1 A 50 50 ASN N N 50 126.400 124.697 1.703 1
1 670 . 11 1 1 A 51 51 VAL H H 51 7.587 8.907 -1.320 1
1 671 . 11 1 1 A 51 51 VAL HA H 51 4.148 4.929 -0.781 1
1 679 . 11 1 1 A 51 51 VAL C C 51 174.350 175.622 -1.272 1
1 680 . 11 1 1 A 51 51 VAL CA C 51 61.280 59.171 2.109 1
1 681 . 11 1 1 A 51 51 VAL CB C 51 35.206 34.929 0.277 1
1 684 . 11 1 1 A 51 51 VAL N N 51 122.670 118.617 4.053 1
1 685 . 11 1 1 A 52 52 GLN H H 52 8.337 8.886 -0.549 1
1 686 . 11 1 1 A 52 52 GLN HA H 52 4.094 4.746 -0.652 1
1 693 . 11 1 1 A 52 52 GLN C C 52 176.240 175.796 0.444 1
1 694 . 11 1 1 A 52 52 GLN CA C 52 56.560 55.712 0.848 1
1 695 . 11 1 1 A 52 52 GLN CB C 52 29.745 29.805 -0.060 1
1 697 . 11 1 1 A 52 52 GLN N N 52 122.670 119.938 2.732 1
1 699 . 11 1 1 A 53 53 LYS H H 53 7.363 7.632 -0.269 1
1 700 . 11 1 1 A 53 53 LYS HA H 53 3.994 4.356 -0.362 1
1 709 . 11 1 1 A 53 53 LYS C C 53 176.010 175.369 0.641 1
1 710 . 11 1 1 A 53 53 LYS CA C 53 56.960 56.593 0.367 1
1 711 . 11 1 1 A 53 53 LYS CB C 53 33.000 33.146 -0.146 1
1 715 . 11 1 1 A 53 53 LYS N N 53 119.940 122.749 -2.809 1
1 716 . 11 1 1 A 54 54 MET H H 54 8.797 8.332 0.465 1
1 717 . 11 1 1 A 54 54 MET HA H 54 4.449 4.807 -0.358 1
1 725 . 11 1 1 A 54 54 MET C C 54 174.630 175.963 -1.333 1
1 726 . 11 1 1 A 54 54 MET CA C 54 54.530 53.619 0.911 1
1 727 . 11 1 1 A 54 54 MET CB C 54 36.912 33.607 3.305 1
1 730 . 11 1 1 A 54 54 MET N N 54 124.720 124.493 0.227 1
1 731 . 11 1 1 A 55 55 GLU H H 55 9.773 8.569 1.204 1
1 732 . 11 1 1 A 55 55 GLU HA H 55 4.029 4.208 -0.179 1
1 737 . 11 1 1 A 55 55 GLU C C 55 176.930 177.124 -0.194 1
1 738 . 11 1 1 A 55 55 GLU CA C 55 59.910 58.814 1.096 1
1 739 . 11 1 1 A 55 55 GLU CB C 55 29.611 30.528 -0.917 1
1 741 . 11 1 1 A 55 55 GLU N N 55 124.250 124.526 -0.276 1
1 742 . 11 1 1 A 56 56 ASN H H 56 8.371 7.807 0.564 1
1 743 . 11 1 1 A 56 56 ASN HA H 56 5.163 5.079 0.084 1
1 748 . 11 1 1 A 56 56 ASN CA C 56 50.680 50.546 0.134 1
1 749 . 11 1 1 A 56 56 ASN CB C 56 39.563 38.775 0.788 1
1 750 . 11 1 1 A 56 56 ASN N N 56 115.600 118.105 -2.505 1
1 752 . 11 1 1 A 57 57 PRO HA H 57 4.854 4.998 -0.144 1
1 759 . 11 1 1 A 57 57 PRO C C 57 178.760 175.928 2.832 1
1 760 . 11 1 1 A 57 57 PRO CA C 57 62.630 62.439 0.191 1
1 761 . 11 1 1 A 57 57 PRO CB C 57 32.197 32.290 -0.093 1
1 764 . 11 1 1 A 58 58 ARG H H 58 9.448 8.808 0.640 1
1 765 . 11 1 1 A 58 58 ARG HA H 58 4.636 4.842 -0.206 1
1 773 . 11 1 1 A 58 58 ARG C C 58 175.430 175.559 -0.129 1
1 774 . 11 1 1 A 58 58 ARG CA C 58 54.210 54.344 -0.134 1
1 775 . 11 1 1 A 58 58 ARG CB C 58 34.208 34.715 -0.507 1
1 778 . 11 1 1 A 58 58 ARG N N 58 122.690 121.855 0.835 1
1 780 . 11 1 1 A 59 59 GLU H H 59 8.694 8.791 -0.097 1
1 781 . 11 1 1 A 59 59 GLU HA H 59 4.096 4.622 -0.526 1
1 786 . 11 1 1 A 59 59 GLU C C 59 175.210 175.549 -0.339 1
1 787 . 11 1 1 A 59 59 GLU CA C 59 56.470 56.088 0.382 1
1 788 . 11 1 1 A 59 59 GLU CB C 59 31.074 31.131 -0.057 1
1 790 . 11 1 1 A 59 59 GLU N N 59 119.520 118.740 0.780 1
1 791 . 11 1 1 A 60 60 VAL H H 60 7.296 7.568 -0.272 1
1 792 . 11 1 1 A 60 60 VAL HA H 60 4.471 4.716 -0.245 1
1 800 . 11 1 1 A 60 60 VAL C C 60 174.900 175.318 -0.418 1
1 801 . 11 1 1 A 60 60 VAL CA C 60 61.058 60.318 0.740 1
1 802 . 11 1 1 A 60 60 VAL CB C 60 35.056 35.775 -0.719 1
1 805 . 11 1 1 A 60 60 VAL N N 60 117.380 119.558 -2.178 1
1 806 . 11 1 1 A 61 61 VAL H H 61 8.064 8.265 -0.201 1
1 807 . 11 1 1 A 61 61 VAL HA H 61 4.540 4.961 -0.421 1
1 815 . 11 1 1 A 61 61 VAL C C 61 172.880 174.907 -2.027 1
1 816 . 11 1 1 A 61 61 VAL CA C 61 58.820 58.839 -0.019 1
1 817 . 11 1 1 A 61 61 VAL CB C 61 33.464 35.463 -1.999 1
1 820 . 11 1 1 A 61 61 VAL N N 61 117.630 120.178 -2.548 1
1 821 . 11 1 1 A 62 62 GLU H H 62 8.620 9.083 -0.463 1
1 822 . 11 1 1 A 62 62 GLU HA H 62 4.543 4.550 -0.007 1
1 827 . 11 1 1 A 62 62 GLU C C 62 176.350 177.648 -1.298 1
1 828 . 11 1 1 A 62 62 GLU CA C 62 53.640 55.337 -1.697 1
1 829 . 11 1 1 A 62 62 GLU CB C 62 32.360 31.237 1.123 1
1 831 . 11 1 1 A 62 62 GLU N N 62 118.060 120.447 -2.387 1
1 832 . 11 1 1 A 63 63 ILE H H 63 8.520 8.488 0.032 1
1 833 . 11 1 1 A 63 63 ILE HA H 63 3.275 4.114 -0.839 1
1 843 . 11 1 1 A 63 63 ILE C C 63 177.940 176.507 1.433 1
1 844 . 11 1 1 A 63 63 ILE CA C 63 64.410 63.205 1.205 1
1 845 . 11 1 1 A 63 63 ILE CB C 63 37.674 37.925 -0.251 1
1 849 . 11 1 1 A 63 63 ILE N N 63 120.310 121.089 -0.779 1
1 850 . 11 1 1 A 64 64 GLY H H 64 9.091 7.854 1.237 1
1 851 . 11 1 1 A 64 64 GLY HA2 H 64 3.563 4.161 -0.598 1
1 852 . 11 1 1 A 64 64 GLY HA3 H 64 4.774 4.195 0.579 1
1 853 . 11 1 1 A 64 64 GLY C C 64 173.290 173.059 0.231 1
1 854 . 11 1 1 A 64 64 GLY CA C 64 45.359 45.692 -0.333 1
1 855 . 11 1 1 A 64 64 GLY N N 64 116.340 109.743 6.597 1
1 856 . 11 1 1 A 65 65 ASP H H 65 8.335 7.842 0.493 1
1 857 . 11 1 1 A 65 65 ASP HA H 65 4.914 5.175 -0.261 1
1 860 . 11 1 1 A 65 65 ASP C C 65 175.180 175.094 0.086 1
1 861 . 11 1 1 A 65 65 ASP CA C 65 56.630 53.206 3.424 1
1 862 . 11 1 1 A 65 65 ASP CB C 65 41.980 43.766 -1.786 1
1 863 . 11 1 1 A 65 65 ASP N N 65 121.610 118.862 2.748 1
1 864 . 11 1 1 A 66 66 VAL H H 66 7.580 8.478 -0.898 1
1 865 . 11 1 1 A 66 66 VAL HA H 66 5.085 4.975 0.110 1
1 873 . 11 1 1 A 66 66 VAL C C 66 176.170 175.082 1.088 1
1 874 . 11 1 1 A 66 66 VAL CA C 66 60.240 60.889 -0.649 1
1 875 . 11 1 1 A 66 66 VAL CB C 66 33.783 36.032 -2.249 1
1 878 . 11 1 1 A 66 66 VAL N N 66 117.330 120.038 -2.708 1
1 879 . 11 1 1 A 67 67 GLY H H 67 9.592 8.925 0.667 1
1 880 . 11 1 1 A 67 67 GLY HA2 H 67 5.899 4.437 1.462 1
1 881 . 11 1 1 A 67 67 GLY HA3 H 67 3.200 4.540 -1.340 1
1 882 . 11 1 1 A 67 67 GLY C C 67 171.740 172.660 -0.920 1
1 883 . 11 1 1 A 67 67 GLY CA C 67 43.580 44.330 -0.750 1
1 884 . 11 1 1 A 67 67 GLY N N 67 111.440 114.742 -3.302 1
1 885 . 11 1 1 A 68 68 TYR H H 68 9.146 9.085 0.061 1
1 886 . 11 1 1 A 68 68 TYR HA H 68 5.809 5.625 0.184 1
1 889 . 11 1 1 A 68 68 TYR C C 68 173.860 174.074 -0.214 1
1 890 . 11 1 1 A 68 68 TYR CA C 68 55.900 55.543 0.357 1
1 891 . 11 1 1 A 68 68 TYR CB C 68 42.170 42.058 0.112 1
1 892 . 11 1 1 A 68 68 TYR N N 68 119.980 116.408 3.572 1
1 893 . 11 1 1 A 69 69 TRP H H 69 9.213 8.628 0.585 1
1 894 . 11 1 1 A 69 69 TRP HA H 69 5.268 4.820 0.448 1
1 902 . 11 1 1 A 69 69 TRP CA C 69 53.390 55.241 -1.851 1
1 903 . 11 1 1 A 69 69 TRP CB C 69 30.442 30.183 0.259 1
1 908 . 11 1 1 A 69 69 TRP N N 69 132.150 123.453 8.697 1
1 910 . 11 1 1 A 70 70 PRO HA H 70 3.923 4.163 -0.240 1
1 917 . 11 1 1 A 70 70 PRO CA C 70 66.753 64.541 2.212 1
1 918 . 11 1 1 A 70 70 PRO CB C 70 30.054 31.621 -1.567 1
1 921 . 11 1 1 A 71 71 PRO HA H 71 3.716 3.988 -0.272 1
1 928 . 11 1 1 A 71 71 PRO CA C 71 65.803 65.375 0.428 1
1 929 . 11 1 1 A 71 71 PRO CB C 71 30.620 30.326 0.294 1
1 932 . 11 1 1 A 72 72 GLY HA2 H 72 3.168 3.705 -0.537 1
1 933 . 11 1 1 A 72 72 GLY HA3 H 72 4.271 3.753 0.518 1
1 934 . 11 1 1 A 72 72 GLY C C 72 173.220 173.388 -0.168 1
1 935 . 11 1 1 A 72 72 GLY CA C 72 44.350 45.059 -0.709 1
1 936 . 11 1 1 A 73 73 LYS H H 73 7.989 7.521 0.468 1
1 937 . 11 1 1 A 73 73 LYS HA H 73 3.566 3.855 -0.289 1
1 946 . 11 1 1 A 73 73 LYS C C 73 177.420 175.317 2.103 1
1 947 . 11 1 1 A 73 73 LYS CA C 73 57.790 56.988 0.802 1
1 948 . 11 1 1 A 73 73 LYS CB C 73 29.398 30.270 -0.872 1
1 952 . 11 1 1 A 73 73 LYS N N 73 121.515 116.239 5.276 1
1 953 . 11 1 1 A 74 74 ALA H H 74 6.969 7.484 -0.515 1
1 954 . 11 1 1 A 74 74 ALA HA H 74 5.123 5.282 -0.159 1
1 958 . 11 1 1 A 74 74 ALA C C 74 177.490 175.105 2.385 1
1 959 . 11 1 1 A 74 74 ALA CA C 74 51.900 51.221 0.679 1
1 960 . 11 1 1 A 74 74 ALA CB C 74 23.090 23.678 -0.588 1
1 961 . 11 1 1 A 74 74 ALA N N 74 118.780 119.216 -0.436 1
1 962 . 11 1 1 A 75 75 LEU H H 75 8.032 7.730 0.302 1
1 963 . 11 1 1 A 75 75 LEU HA H 75 4.844 4.309 0.535 1
1 973 . 11 1 1 A 75 75 LEU C C 75 175.540 175.606 -0.066 1
1 974 . 11 1 1 A 75 75 LEU CA C 75 54.000 54.054 -0.054 1
1 975 . 11 1 1 A 75 75 LEU CB C 75 43.858 42.937 0.921 1
1 979 . 11 1 1 A 75 75 LEU N N 75 122.780 121.252 1.528 1
1 980 . 11 1 1 A 76 76 CYS H H 76 8.813 8.394 0.419 1
1 981 . 11 1 1 A 76 76 CYS HA H 76 5.178 5.047 0.131 1
1 984 . 11 1 1 A 76 76 CYS C C 76 173.080 172.808 0.272 1
1 985 . 11 1 1 A 76 76 CYS CA C 76 55.850 57.710 -1.860 1
1 986 . 11 1 1 A 76 76 CYS CB C 76 31.922 32.430 -0.508 1
1 987 . 11 1 1 A 76 76 CYS N N 76 117.950 120.896 -2.946 1
1 988 . 11 1 1 A 77 77 LEU H H 77 9.621 8.335 1.286 1
1 989 . 11 1 1 A 77 77 LEU HA H 77 4.741 4.817 -0.076 1
1 999 . 11 1 1 A 77 77 LEU C C 77 175.040 175.874 -0.834 1
1 1000 . 11 1 1 A 77 77 LEU CA C 77 53.510 54.029 -0.519 1
1 1001 . 11 1 1 A 77 77 LEU CB C 77 44.058 43.977 0.081 1
1 1005 . 11 1 1 A 77 77 LEU N N 77 123.140 122.418 0.722 1
1 1006 . 11 1 1 A 78 78 PHE H H 78 7.930 8.771 -0.841 1
1 1007 . 11 1 1 A 78 78 PHE HA H 78 4.809 4.718 0.091 1
1 1015 . 11 1 1 A 78 78 PHE C C 78 174.830 176.329 -1.499 1
1 1016 . 11 1 1 A 78 78 PHE CA C 78 58.140 57.764 0.376 1
1 1017 . 11 1 1 A 78 78 PHE CB C 78 39.603 40.777 -1.174 1
1 1021 . 11 1 1 A 78 78 PHE N N 78 120.120 125.077 -4.957 1
1 1022 . 11 1 1 A 79 79 PHE H H 79 8.038 8.350 -0.312 1
1 1023 . 11 1 1 A 79 79 PHE HA H 79 5.029 5.031 -0.002 1
1 1031 . 11 1 1 A 79 79 PHE C C 79 172.070 175.524 -3.454 1
1 1032 . 11 1 1 A 79 79 PHE CA C 79 55.630 56.703 -1.073 1
1 1033 . 11 1 1 A 79 79 PHE CB C 79 39.003 40.114 -1.111 1
1 1037 . 11 1 1 A 79 79 PHE N N 79 119.040 117.308 1.732 1
1 1038 . 11 1 1 A 80 80 GLY H H 80 7.489 7.550 -0.061 1
1 1039 . 11 1 1 A 80 80 GLY HA2 H 80 3.653 4.089 -0.436 1
1 1040 . 11 1 1 A 80 80 GLY HA3 H 80 4.283 4.162 0.121 1
1 1041 . 11 1 1 A 80 80 GLY C C 80 170.830 173.895 -3.065 1
1 1042 . 11 1 1 A 80 80 GLY CA C 80 45.342 46.082 -0.740 1
1 1043 . 11 1 1 A 80 80 GLY N N 80 110.010 108.807 1.203 1
1 1044 . 11 1 1 A 81 81 LYS H H 81 8.186 8.690 -0.504 1
1 1045 . 11 1 1 A 81 81 LYS HA H 81 4.003 4.488 -0.485 1
1 1054 . 11 1 1 A 81 81 LYS C C 81 177.530 176.079 1.451 1
1 1055 . 11 1 1 A 81 81 LYS CA C 81 57.730 55.889 1.841 1
1 1056 . 11 1 1 A 81 81 LYS CB C 81 33.293 34.336 -1.043 1
1 1060 . 11 1 1 A 81 81 LYS N N 81 117.260 125.399 -8.139 1
1 1061 . 11 1 1 A 82 82 THR H H 82 8.076 7.936 0.140 1
1 1062 . 11 1 1 A 82 82 THR HA H 82 4.423 4.502 -0.079 1
1 1067 . 11 1 1 A 82 82 THR CA C 82 59.230 62.045 -2.815 1
1 1068 . 11 1 1 A 82 82 THR CB C 82 68.310 67.866 0.444 1
1 1070 . 11 1 1 A 82 82 THR N N 82 113.611 113.304 0.307 1
1 1071 . 11 1 1 A 83 83 PRO HA H 83 4.090 4.460 -0.370 1
1 1078 . 11 1 1 A 83 83 PRO CA C 83 63.743 63.798 -0.055 1
1 1079 . 11 1 1 A 83 83 PRO CB C 83 32.167 31.570 0.597 1
1 1082 . 11 1 1 A 84 84 MET HA H 84 4.220 4.670 -0.450 1
1 1090 . 11 1 1 A 84 84 MET C C 84 175.920 174.427 1.493 1
1 1091 . 11 1 1 A 84 84 MET CA C 84 55.880 54.283 1.597 1
1 1092 . 11 1 1 A 84 84 MET CB C 84 33.070 31.810 1.260 1
1 1095 . 11 1 1 A 85 85 SER H H 85 7.256 7.818 -0.562 1
1 1096 . 11 1 1 A 85 85 SER HA H 85 4.401 4.718 -0.317 1
1 1099 . 11 1 1 A 85 85 SER C C 85 173.380 173.264 0.116 1
1 1100 . 11 1 1 A 85 85 SER CA C 85 58.230 57.302 0.928 1
1 1101 . 11 1 1 A 85 85 SER CB C 85 64.290 66.506 -2.216 1
1 1102 . 11 1 1 A 85 85 SER N N 85 111.370 116.332 -4.962 1
1 1103 . 11 1 1 A 86 86 ASP H H 86 8.517 8.724 -0.207 1
1 1104 . 11 1 1 A 86 86 ASP HA H 86 4.692 4.782 -0.090 1
1 1107 . 11 1 1 A 86 86 ASP C C 86 175.860 177.203 -1.343 1
1 1108 . 11 1 1 A 86 86 ASP CA C 86 54.150 55.470 -1.320 1
1 1109 . 11 1 1 A 86 86 ASP CB C 86 41.360 43.827 -2.467 1
1 1110 . 11 1 1 A 86 86 ASP N N 86 123.320 121.137 2.183 1
1 1111 . 11 1 1 A 87 87 ASP H H 87 8.412 8.624 -0.212 1
1 1112 . 11 1 1 A 87 87 ASP HA H 87 4.529 4.677 -0.148 1
1 1115 . 11 1 1 A 87 87 ASP C C 87 175.270 176.575 -1.305 1
1 1116 . 11 1 1 A 87 87 ASP CA C 87 54.870 55.679 -0.809 1
1 1117 . 11 1 1 A 87 87 ASP CB C 87 41.580 42.129 -0.549 1
1 1118 . 11 1 1 A 87 87 ASP N N 87 118.900 117.013 1.887 1
1 1119 . 11 1 1 A 88 88 LYS H H 88 7.869 7.635 0.234 1
1 1120 . 11 1 1 A 88 88 LYS HA H 88 4.372 4.851 -0.479 1
1 1129 . 11 1 1 A 88 88 LYS C C 88 174.870 175.414 -0.544 1
1 1130 . 11 1 1 A 88 88 LYS CA C 88 54.580 54.114 0.466 1
1 1131 . 11 1 1 A 88 88 LYS CB C 88 34.047 35.710 -1.663 1
1 1135 . 11 1 1 A 88 88 LYS N N 88 118.310 113.533 4.777 1
1 1136 . 11 1 1 A 89 89 ILE H H 89 8.604 8.553 0.051 1
1 1137 . 11 1 1 A 89 89 ILE HA H 89 3.873 4.254 -0.381 1
1 1147 . 11 1 1 A 89 89 ILE C C 89 174.480 175.481 -1.001 1
1 1148 . 11 1 1 A 89 89 ILE CA C 89 61.890 60.784 1.106 1
1 1149 . 11 1 1 A 89 89 ILE CB C 89 36.398 37.500 -1.102 1
1 1153 . 11 1 1 A 89 89 ILE N N 89 121.510 121.337 0.173 1
1 1154 . 11 1 1 A 90 90 GLN H H 90 8.015 8.771 -0.756 1
1 1155 . 11 1 1 A 90 90 GLN HA H 90 5.033 4.621 0.412 1
1 1162 . 11 1 1 A 90 90 GLN CA C 90 52.110 52.182 -0.072 1
1 1163 . 11 1 1 A 90 90 GLN CB C 90 32.045 30.187 1.858 1
1 1165 . 11 1 1 A 90 90 GLN N N 90 126.430 126.252 0.178 1
1 1167 . 11 1 1 A 91 91 PRO HA H 91 4.508 4.721 -0.213 1
1 1174 . 11 1 1 A 91 91 PRO C C 91 175.210 176.775 -1.565 1
1 1175 . 11 1 1 A 91 91 PRO CA C 91 61.680 62.619 -0.939 1
1 1176 . 11 1 1 A 91 91 PRO CB C 91 32.854 33.215 -0.361 1
1 1179 . 11 1 1 A 92 92 ALA H H 92 8.014 8.587 -0.573 1
1 1180 . 11 1 1 A 92 92 ALA HA H 92 3.931 4.387 -0.456 1
1 1184 . 11 1 1 A 92 92 ALA CA C 92 55.270 53.747 1.523 1
1 1185 . 11 1 1 A 92 92 ALA CB C 92 18.838 19.382 -0.544 1
1 1186 . 11 1 1 A 92 92 ALA N N 92 121.420 122.108 -0.688 1
1 1187 . 11 1 1 A 93 93 SER H H 93 7.391 7.760 -0.369 1
1 1188 . 11 1 1 A 93 93 SER HA H 93 4.223 4.568 -0.345 1
1 1191 . 11 1 1 A 93 93 SER C C 93 171.670 172.792 -1.122 1
1 1192 . 11 1 1 A 93 93 SER CA C 93 57.240 56.968 0.272 1
1 1193 . 11 1 1 A 93 93 SER CB C 93 63.620 64.734 -1.114 1
1 1194 . 11 1 1 A 93 93 SER N N 93 105.210 111.569 -6.359 1
1 1195 . 11 1 1 A 94 94 ALA H H 94 8.276 8.467 -0.191 1
1 1196 . 11 1 1 A 94 94 ALA HA H 94 4.113 4.430 -0.317 1
1 1200 . 11 1 1 A 94 94 ALA C C 94 177.150 177.053 0.097 1
1 1201 . 11 1 1 A 94 94 ALA CA C 94 53.810 51.716 2.094 1
1 1202 . 11 1 1 A 94 94 ALA CB C 94 19.219 17.320 1.899 1
1 1203 . 11 1 1 A 94 94 ALA N N 94 117.972 125.485 -7.513 1
1 1204 . 11 1 1 A 95 95 VAL H H 95 7.886 8.080 -0.194 1
1 1205 . 11 1 1 A 95 95 VAL HA H 95 5.037 4.375 0.662 1
1 1213 . 11 1 1 A 95 95 VAL C C 95 174.060 176.157 -2.097 1
1 1214 . 11 1 1 A 95 95 VAL CA C 95 57.510 61.707 -4.197 1
1 1215 . 11 1 1 A 95 95 VAL CB C 95 35.106 33.254 1.852 1
1 1218 . 11 1 1 A 95 95 VAL N N 95 108.410 117.197 -8.787 1
1 1219 . 11 1 1 A 96 96 ASN H H 96 9.178 8.710 0.468 1
1 1220 . 11 1 1 A 96 96 ASN HA H 96 4.897 5.282 -0.385 1
1 1225 . 11 1 1 A 96 96 ASN C C 96 176.600 175.265 1.335 1
1 1226 . 11 1 1 A 96 96 ASN CA C 96 50.790 51.655 -0.865 1
1 1227 . 11 1 1 A 96 96 ASN CB C 96 39.637 39.024 0.613 1
1 1228 . 11 1 1 A 96 96 ASN N N 96 121.250 120.121 1.129 1
1 1230 . 11 1 1 A 97 97 VAL H H 97 8.503 8.356 0.147 1
1 1231 . 11 1 1 A 97 97 VAL HA H 97 4.421 4.695 -0.274 1
1 1239 . 11 1 1 A 97 97 VAL C C 97 176.450 176.064 0.386 1
1 1240 . 11 1 1 A 97 97 VAL CA C 97 66.030 60.916 5.114 1
1 1241 . 11 1 1 A 97 97 VAL CB C 97 30.552 32.009 -1.457 1
1 1244 . 11 1 1 A 97 97 VAL N N 97 129.670 117.507 12.163 1
1 1245 . 11 1 1 A 98 98 ILE H H 98 8.129 7.611 0.518 1
1 1246 . 11 1 1 A 98 98 ILE HA H 98 4.628 3.295 1.333 1
1 1256 . 11 1 1 A 98 98 ILE C C 98 174.270 175.894 -1.624 1
1 1257 . 11 1 1 A 98 98 ILE CA C 98 61.240 62.861 -1.621 1
1 1258 . 11 1 1 A 98 98 ILE CB C 98 39.812 37.329 2.483 1
1 1262 . 11 1 1 A 98 98 ILE N N 98 119.500 120.277 -0.777 1
1 1263 . 11 1 1 A 99 99 GLY H H 99 7.668 7.726 -0.058 1
1 1264 . 11 1 1 A 99 99 GLY HA2 H 99 4.435 4.141 0.294 1
1 1265 . 11 1 1 A 99 99 GLY HA3 H 99 4.637 4.160 0.477 1
1 1266 . 11 1 1 A 99 99 GLY C C 99 172.410 172.555 -0.145 1
1 1267 . 11 1 1 A 99 99 GLY CA C 99 46.906 44.611 2.295 1
1 1268 . 11 1 1 A 99 99 GLY N N 99 107.230 111.250 -4.020 1
1 1269 . 11 1 1 A 100 100 LYS H H 100 8.347 8.403 -0.056 1
1 1270 . 11 1 1 A 100 100 LYS HA H 100 5.540 5.165 0.375 1
1 1279 . 11 1 1 A 100 100 LYS C C 100 175.740 174.953 0.787 1
1 1280 . 11 1 1 A 100 100 LYS CA C 100 54.150 54.537 -0.387 1
1 1281 . 11 1 1 A 100 100 LYS CB C 100 37.900 36.130 1.770 1
1 1285 . 11 1 1 A 100 100 LYS N N 100 119.730 120.286 -0.556 1
1 1286 . 11 1 1 A 101 101 ILE H H 101 9.542 9.117 0.425 1
1 1287 . 11 1 1 A 101 101 ILE HA H 101 4.184 4.388 -0.204 1
1 1297 . 11 1 1 A 101 101 ILE C C 101 176.010 175.841 0.169 1
1 1298 . 11 1 1 A 101 101 ILE CA C 101 62.940 61.064 1.876 1
1 1299 . 11 1 1 A 101 101 ILE CB C 101 39.212 37.167 2.045 1
1 1303 . 11 1 1 A 101 101 ILE N N 101 124.050 123.264 0.786 1
1 1304 . 11 1 1 A 102 102 VAL H H 102 8.728 8.190 0.538 1
1 1305 . 11 1 1 A 102 102 VAL HA H 102 4.591 4.017 0.574 1
1 1313 . 11 1 1 A 102 102 VAL C C 102 175.730 175.986 -0.256 1
1 1314 . 11 1 1 A 102 102 VAL CA C 102 62.030 64.415 -2.385 1
1 1315 . 11 1 1 A 102 102 VAL CB C 102 33.307 32.208 1.099 1
1 1318 . 11 1 1 A 102 102 VAL N N 102 121.420 128.834 -7.414 1
1 1319 . 11 1 1 A 103 103 GLU H H 103 7.912 7.835 0.077 1
1 1320 . 11 1 1 A 103 103 GLU HA H 103 4.661 4.515 0.146 1
1 1325 . 11 1 1 A 103 103 GLU C C 103 176.520 175.885 0.635 1
1 1326 . 11 1 1 A 103 103 GLU CA C 103 56.550 55.772 0.778 1
1 1327 . 11 1 1 A 103 103 GLU CB C 103 34.180 33.709 0.471 1
1 1329 . 11 1 1 A 103 103 GLU N N 103 120.750 120.382 0.368 1
1 1330 . 11 1 1 A 104 104 GLY H H 104 8.934 8.833 0.101 1
1 1331 . 11 1 1 A 104 104 GLY HA2 H 104 3.932 3.944 -0.012 1
1 1332 . 11 1 1 A 104 104 GLY HA3 H 104 4.345 3.962 0.383 1
1 1333 . 11 1 1 A 104 104 GLY C C 104 175.230 174.809 0.421 1
1 1334 . 11 1 1 A 104 104 GLY CA C 104 46.616 46.708 -0.092 1
1 1335 . 11 1 1 A 104 104 GLY N N 104 111.140 111.982 -0.842 1
1 1336 . 11 1 1 A 105 105 LEU H H 105 8.158 7.887 0.271 1
1 1337 . 11 1 1 A 105 105 LEU HA H 105 3.702 4.077 -0.375 1
1 1347 . 11 1 1 A 105 105 LEU C C 105 179.250 178.573 0.677 1
1 1348 . 11 1 1 A 105 105 LEU CA C 105 59.400 57.377 2.023 1
1 1349 . 11 1 1 A 105 105 LEU CB C 105 42.743 42.174 0.569 1
1 1353 . 11 1 1 A 105 105 LEU N N 105 121.390 121.933 -0.543 1
1 1354 . 11 1 1 A 106 106 GLU H H 106 8.944 8.228 0.716 1
1 1355 . 11 1 1 A 106 106 GLU HA H 106 3.978 4.084 -0.106 1
1 1360 . 11 1 1 A 106 106 GLU C C 106 178.120 179.072 -0.952 1
1 1361 . 11 1 1 A 106 106 GLU CA C 106 58.720 59.405 -0.685 1
1 1362 . 11 1 1 A 106 106 GLU CB C 106 28.920 28.397 0.523 1
1 1364 . 11 1 1 A 106 106 GLU N N 106 113.860 118.409 -4.549 1
1 1365 . 11 1 1 A 107 107 ASP H H 107 7.538 8.464 -0.926 1
1 1366 . 11 1 1 A 107 107 ASP HA H 107 4.344 4.320 0.024 1
1 1369 . 11 1 1 A 107 107 ASP C C 107 178.190 177.515 0.675 1
1 1370 . 11 1 1 A 107 107 ASP CA C 107 55.780 56.792 -1.012 1
1 1371 . 11 1 1 A 107 107 ASP CB C 107 41.191 39.729 1.462 1
1 1372 . 11 1 1 A 107 107 ASP N N 107 119.620 119.039 0.581 1
1 1373 . 11 1 1 A 108 108 LEU H H 108 7.115 7.791 -0.676 1
1 1374 . 11 1 1 A 108 108 LEU HA H 108 3.357 3.588 -0.231 1
1 1384 . 11 1 1 A 108 108 LEU C C 108 177.920 178.421 -0.501 1
1 1385 . 11 1 1 A 108 108 LEU CA C 108 57.000 57.022 -0.022 1
1 1386 . 11 1 1 A 108 108 LEU CB C 108 38.445 40.539 -2.094 1
1 1390 . 11 1 1 A 108 108 LEU N N 108 117.551 119.815 -2.264 1
1 1391 . 11 1 1 A 109 109 LYS H H 109 7.179 7.688 -0.509 1
1 1392 . 11 1 1 A 109 109 LYS HA H 109 3.879 4.209 -0.330 1
1 1401 . 11 1 1 A 109 109 LYS C C 109 176.650 178.129 -1.479 1
1 1402 . 11 1 1 A 109 109 LYS CA C 109 57.792 59.043 -1.251 1
1 1403 . 11 1 1 A 109 109 LYS CB C 109 32.184 32.333 -0.149 1
1 1407 . 11 1 1 A 109 109 LYS N N 109 115.080 119.096 -4.016 1
1 1408 . 11 1 1 A 110 110 LYS H H 110 7.364 8.279 -0.915 1
1 1409 . 11 1 1 A 110 110 LYS HA H 110 4.016 4.250 -0.234 1
1 1418 . 11 1 1 A 110 110 LYS C C 110 175.890 175.936 -0.046 1
1 1419 . 11 1 1 A 110 110 LYS CA C 110 56.550 57.639 -1.089 1
1 1420 . 11 1 1 A 110 110 LYS CB C 110 32.972 32.044 0.928 1
1 1424 . 11 1 1 A 110 110 LYS N N 110 116.720 114.491 2.229 1
1 1425 . 11 1 1 A 111 111 ILE H H 111 6.626 7.614 -0.988 1
1 1426 . 11 1 1 A 111 111 ILE HA H 111 3.531 4.394 -0.863 1
1 1436 . 11 1 1 A 111 111 ILE C C 111 176.180 174.740 1.440 1
1 1437 . 11 1 1 A 111 111 ILE CA C 111 59.950 59.700 0.250 1
1 1438 . 11 1 1 A 111 111 ILE CB C 111 34.946 40.672 -5.726 1
1 1442 . 11 1 1 A 111 111 ILE N N 111 117.000 121.456 -4.456 1
1 1443 . 11 1 1 A 112 112 LYS H H 112 8.388 8.489 -0.101 1
1 1444 . 11 1 1 A 112 112 LYS HA H 112 4.356 4.891 -0.535 1
1 1453 . 11 1 1 A 112 112 LYS C C 112 175.750 176.726 -0.976 1
1 1454 . 11 1 1 A 112 112 LYS CA C 112 54.430 53.979 0.451 1
1 1455 . 11 1 1 A 112 112 LYS CB C 112 33.936 35.709 -1.773 1
1 1459 . 11 1 1 A 112 112 LYS N N 112 128.240 123.204 5.036 1
1 1460 . 11 1 1 A 113 113 ASP H H 113 8.103 8.897 -0.794 1
1 1461 . 11 1 1 A 113 113 ASP HA H 113 4.026 4.804 -0.778 1
1 1464 . 11 1 1 A 113 113 ASP C C 113 177.630 177.054 0.576 1
1 1465 . 11 1 1 A 113 113 ASP CA C 113 56.660 54.677 1.983 1
1 1466 . 11 1 1 A 113 113 ASP CB C 113 42.033 40.467 1.566 1
1 1467 . 11 1 1 A 113 113 ASP N N 113 119.040 121.855 -2.815 1
1 1468 . 11 1 1 A 114 114 GLY H H 114 8.635 7.451 1.184 1
1 1469 . 11 1 1 A 114 114 GLY HA2 H 114 3.547 4.071 -0.524 1
1 1470 . 11 1 1 A 114 114 GLY HA3 H 114 4.229 4.075 0.154 1
1 1471 . 11 1 1 A 114 114 GLY C C 114 174.640 174.387 0.253 1
1 1472 . 11 1 1 A 114 114 GLY CA C 114 45.403 45.568 -0.165 1
1 1473 . 11 1 1 A 114 114 GLY N N 114 113.170 106.465 6.705 1
1 1474 . 11 1 1 A 115 115 GLU H H 115 7.346 7.991 -0.645 1
1 1475 . 11 1 1 A 115 115 GLU HA H 115 4.113 4.451 -0.338 1
1 1480 . 11 1 1 A 115 115 GLU C C 115 175.840 175.324 0.516 1
1 1481 . 11 1 1 A 115 115 GLU CA C 115 58.180 55.915 2.265 1
1 1482 . 11 1 1 A 115 115 GLU CB C 115 30.902 29.514 1.388 1
1 1484 . 11 1 1 A 115 115 GLU N N 115 119.440 118.892 0.548 1
1 1485 . 11 1 1 A 116 116 LYS H H 116 9.107 7.922 1.185 1
1 1486 . 11 1 1 A 116 116 LYS HA H 116 4.529 4.041 0.488 1
1 1495 . 11 1 1 A 116 116 LYS C C 116 176.050 175.126 0.924 1
1 1496 . 11 1 1 A 116 116 LYS CA C 116 56.820 56.917 -0.097 1
1 1497 . 11 1 1 A 116 116 LYS CB C 116 33.358 31.162 2.196 1
1 1501 . 11 1 1 A 116 116 LYS N N 116 121.800 115.927 5.873 1
1 1502 . 11 1 1 A 117 117 VAL H H 117 7.860 7.762 0.098 1
1 1503 . 11 1 1 A 117 117 VAL HA H 117 4.668 4.251 0.417 1
1 1511 . 11 1 1 A 117 117 VAL C C 117 171.630 174.594 -2.964 1
1 1512 . 11 1 1 A 117 117 VAL CA C 117 57.440 62.243 -4.803 1
1 1513 . 11 1 1 A 117 117 VAL CB C 117 34.614 32.118 2.496 1
1 1516 . 11 1 1 A 117 117 VAL N N 117 118.940 119.309 -0.369 1
1 1517 . 11 1 1 A 118 118 ALA H H 118 8.310 9.046 -0.736 1
1 1518 . 11 1 1 A 118 118 ALA HA H 118 4.506 4.829 -0.323 1
1 1522 . 11 1 1 A 118 118 ALA C C 118 174.660 175.356 -0.696 1
1 1523 . 11 1 1 A 118 118 ALA CA C 118 50.370 50.015 0.355 1
1 1524 . 11 1 1 A 118 118 ALA CB C 118 20.250 20.520 -0.270 1
1 1525 . 11 1 1 A 118 118 ALA N N 118 130.190 130.382 -0.192 1
1 1526 . 11 1 1 A 119 119 VAL H H 119 8.295 8.686 -0.391 1
1 1527 . 11 1 1 A 119 119 VAL HA H 119 4.096 3.981 0.115 1
1 1535 . 11 1 1 A 119 119 VAL C C 119 175.320 175.399 -0.079 1
1 1536 . 11 1 1 A 119 119 VAL CA C 119 61.570 62.215 -0.645 1
1 1537 . 11 1 1 A 119 119 VAL CB C 119 31.445 30.628 0.817 1
1 1540 . 11 1 1 A 119 119 VAL N N 119 123.160 123.261 -0.101 1
1 1541 . 11 1 1 A 120 120 ARG H H 120 8.596 8.490 0.106 1
1 1542 . 11 1 1 A 120 120 ARG HA H 120 4.534 4.510 0.024 1
1 1550 . 11 1 1 A 120 120 ARG C C 120 175.260 176.115 -0.855 1
1 1551 . 11 1 1 A 120 120 ARG CA C 120 53.740 53.952 -0.212 1
1 1552 . 11 1 1 A 120 120 ARG CB C 120 34.359 33.583 0.776 1
1 1555 . 11 1 1 A 120 120 ARG N N 120 123.692 126.738 -3.046 1
1 1557 . 11 1 1 A 121 121 PHE H H 121 8.585 8.891 -0.306 1
1 1558 . 11 1 1 A 121 121 PHE HA H 121 4.591 4.581 0.010 1
1 1566 . 11 1 1 A 121 121 PHE C C 121 176.430 175.451 0.979 1
1 1567 . 11 1 1 A 121 121 PHE CA C 121 60.370 57.420 2.950 1
1 1568 . 11 1 1 A 121 121 PHE CB C 121 38.713 39.428 -0.715 1
1 1572 . 11 1 1 A 121 121 PHE N N 121 120.110 119.425 0.685 1
1 1573 . 11 1 1 A 122 122 ALA H H 122 7.896 7.976 -0.080 1
1 1574 . 11 1 1 A 122 122 ALA HA H 122 4.304 4.197 0.107 1
1 1578 . 11 1 1 A 122 122 ALA C C 122 177.430 176.972 0.458 1
1 1579 . 11 1 1 A 122 122 ALA CA C 122 52.050 53.426 -1.376 1
1 1580 . 11 1 1 A 122 122 ALA CB C 122 19.865 18.168 1.697 1
1 1581 . 11 1 1 A 122 122 ALA N N 122 123.820 122.202 1.618 1
1 1582 . 11 1 1 A 123 123 SER H H 123 8.675 9.121 -0.446 1
1 1583 . 11 1 1 A 123 123 SER HA H 123 4.372 4.982 -0.610 1
1 1586 . 11 1 1 A 123 123 SER C C 123 173.630 174.136 -0.506 1
1 1587 . 11 1 1 A 123 123 SER CA C 123 58.750 56.940 1.810 1
1 1588 . 11 1 1 A 123 123 SER CB C 123 63.870 63.855 0.015 1
1 1589 . 11 1 1 A 123 123 SER N N 123 117.330 119.916 -2.586 1
1 14 . 12 1 1 A 2 2 ARG H H 2 9.247 8.701 0.546 1
1 15 . 12 1 1 A 2 2 ARG HA H 2 5.249 4.541 0.708 1
1 23 . 12 1 1 A 2 2 ARG C C 2 176.020 175.605 0.415 1
1 24 . 12 1 1 A 2 2 ARG CA C 2 56.360 56.804 -0.444 1
1 25 . 12 1 1 A 2 2 ARG CB C 2 31.953 31.374 0.579 1
1 28 . 12 1 1 A 2 2 ARG N N 2 129.420 127.087 2.333 1
1 30 . 12 1 1 A 3 3 VAL H H 3 9.361 8.503 0.858 1
1 31 . 12 1 1 A 3 3 VAL HA H 3 4.464 4.884 -0.420 1
1 39 . 12 1 1 A 3 3 VAL C C 3 173.160 173.898 -0.738 1
1 40 . 12 1 1 A 3 3 VAL CA C 3 61.330 60.220 1.110 1
1 41 . 12 1 1 A 3 3 VAL CB C 3 36.251 35.927 0.324 1
1 44 . 12 1 1 A 3 3 VAL N N 3 126.750 120.914 5.836 1
1 45 . 12 1 1 A 4 4 GLU H H 4 9.294 9.275 0.019 1
1 46 . 12 1 1 A 4 4 GLU HA H 4 4.807 5.181 -0.374 1
1 51 . 12 1 1 A 4 4 GLU C C 4 173.020 174.739 -1.719 1
1 52 . 12 1 1 A 4 4 GLU CA C 4 54.890 54.700 0.190 1
1 53 . 12 1 1 A 4 4 GLU CB C 4 33.146 33.390 -0.244 1
1 55 . 12 1 1 A 4 4 GLU N N 4 128.550 126.923 1.627 1
1 56 . 12 1 1 A 5 5 LEU H H 5 8.685 9.143 -0.458 1
1 57 . 12 1 1 A 5 5 LEU HA H 5 4.547 4.457 0.090 1
1 67 . 12 1 1 A 5 5 LEU C C 5 173.750 175.233 -1.483 1
1 68 . 12 1 1 A 5 5 LEU CA C 5 52.450 53.623 -1.173 1
1 69 . 12 1 1 A 5 5 LEU CB C 5 41.998 42.919 -0.921 1
1 73 . 12 1 1 A 5 5 LEU N N 5 124.490 127.072 -2.582 1
1 74 . 12 1 1 A 6 6 LEU H H 6 8.608 8.728 -0.120 1
1 75 . 12 1 1 A 6 6 LEU HA H 6 4.502 4.609 -0.107 1
1 85 . 12 1 1 A 6 6 LEU C C 6 176.550 175.634 0.916 1
1 86 . 12 1 1 A 6 6 LEU CA C 6 53.790 54.164 -0.374 1
1 87 . 12 1 1 A 6 6 LEU CB C 6 42.240 42.770 -0.530 1
1 91 . 12 1 1 A 6 6 LEU N N 6 123.330 125.906 -2.576 1
1 92 . 12 1 1 A 7 7 PHE H H 7 8.344 9.125 -0.781 1
1 93 . 12 1 1 A 7 7 PHE HA H 7 5.378 4.841 0.537 1
1 101 . 12 1 1 A 7 7 PHE C C 7 175.050 176.137 -1.087 1
1 102 . 12 1 1 A 7 7 PHE CA C 7 55.830 56.819 -0.989 1
1 103 . 12 1 1 A 7 7 PHE CB C 7 39.383 43.173 -3.790 1
1 108 . 12 1 1 A 7 7 PHE N N 7 125.190 122.214 2.976 1
1 109 . 12 1 1 A 8 8 GLU H H 8 8.226 9.329 -1.103 1
1 110 . 12 1 1 A 8 8 GLU HA H 8 4.266 4.126 0.140 1
1 115 . 12 1 1 A 8 8 GLU C C 8 180.740 177.960 2.780 1
1 116 . 12 1 1 A 8 8 GLU CA C 8 59.530 59.589 -0.059 1
1 117 . 12 1 1 A 8 8 GLU CB C 8 29.723 29.222 0.501 1
1 119 . 12 1 1 A 8 8 GLU N N 8 120.100 123.006 -2.906 1
1 120 . 12 1 1 A 9 9 SER H H 9 9.069 8.214 0.855 1
1 121 . 12 1 1 A 9 9 SER HA H 9 4.467 4.502 -0.035 1
1 124 . 12 1 1 A 9 9 SER C C 9 173.740 174.496 -0.756 1
1 125 . 12 1 1 A 9 9 SER CA C 9 58.600 59.044 -0.444 1
1 126 . 12 1 1 A 9 9 SER CB C 9 63.120 63.898 -0.778 1
1 127 . 12 1 1 A 9 9 SER N N 9 112.770 113.567 -0.797 1
1 128 . 12 1 1 A 10 10 GLY H H 10 6.925 7.590 -0.665 1
1 129 . 12 1 1 A 10 10 GLY HA2 H 10 3.896 4.104 -0.208 1
1 130 . 12 1 1 A 10 10 GLY HA3 H 10 3.896 4.112 -0.216 1
1 131 . 12 1 1 A 10 10 GLY C C 10 170.040 171.215 -1.175 1
1 132 . 12 1 1 A 10 10 GLY CA C 10 45.466 45.759 -0.293 1
1 133 . 12 1 1 A 10 10 GLY N N 10 105.760 106.485 -0.725 1
1 134 . 12 1 1 A 11 11 LYS H H 11 9.071 8.939 0.132 1
1 135 . 12 1 1 A 11 11 LYS HA H 11 5.484 5.711 -0.227 1
1 144 . 12 1 1 A 11 11 LYS C C 11 174.230 174.367 -0.137 1
1 145 . 12 1 1 A 11 11 LYS CA C 11 55.460 54.939 0.521 1
1 146 . 12 1 1 A 11 11 LYS CB C 11 36.408 36.961 -0.553 1
1 150 . 12 1 1 A 11 11 LYS N N 11 118.960 117.395 1.565 1
1 151 . 12 1 1 A 12 12 CYS H H 12 8.917 9.275 -0.358 1
1 152 . 12 1 1 A 12 12 CYS HA H 12 5.083 5.254 -0.171 1
1 155 . 12 1 1 A 12 12 CYS C C 12 171.760 172.300 -0.540 1
1 156 . 12 1 1 A 12 12 CYS CA C 12 56.770 56.492 0.278 1
1 157 . 12 1 1 A 12 12 CYS CB C 12 31.267 32.836 -1.569 1
1 158 . 12 1 1 A 12 12 CYS N N 12 115.700 118.901 -3.201 1
1 159 . 12 1 1 A 13 13 VAL H H 13 8.474 8.613 -0.139 1
1 160 . 12 1 1 A 13 13 VAL HA H 13 4.992 4.885 0.107 1
1 168 . 12 1 1 A 13 13 VAL C C 13 175.660 175.511 0.149 1
1 169 . 12 1 1 A 13 13 VAL CA C 13 61.490 60.990 0.500 1
1 170 . 12 1 1 A 13 13 VAL CB C 13 35.125 35.267 -0.142 1
1 173 . 12 1 1 A 13 13 VAL N N 13 120.490 119.482 1.008 1
1 174 . 12 1 1 A 14 14 ILE H H 14 9.378 9.459 -0.081 1
1 175 . 12 1 1 A 14 14 ILE HA H 14 5.335 5.283 0.052 1
1 185 . 12 1 1 A 14 14 ILE C C 14 172.570 173.332 -0.762 1
1 186 . 12 1 1 A 14 14 ILE CA C 14 58.540 59.017 -0.477 1
1 187 . 12 1 1 A 14 14 ILE CB C 14 40.755 41.410 -0.655 1
1 191 . 12 1 1 A 14 14 ILE N N 14 120.140 122.701 -2.561 1
1 192 . 12 1 1 A 15 15 ASP H H 15 9.295 9.200 0.095 1
1 193 . 12 1 1 A 15 15 ASP HA H 15 5.274 5.460 -0.186 1
1 196 . 12 1 1 A 15 15 ASP C C 15 176.510 174.466 2.044 1
1 197 . 12 1 1 A 15 15 ASP CA C 15 53.050 52.741 0.309 1
1 198 . 12 1 1 A 15 15 ASP CB C 15 44.007 44.743 -0.736 1
1 199 . 12 1 1 A 15 15 ASP N N 15 123.200 122.580 0.620 1
1 200 . 12 1 1 A 16 16 LEU H H 16 8.892 9.278 -0.386 1
1 201 . 12 1 1 A 16 16 LEU HA H 16 4.981 5.119 -0.138 1
1 211 . 12 1 1 A 16 16 LEU C C 16 175.430 175.801 -0.371 1
1 212 . 12 1 1 A 16 16 LEU CA C 16 53.040 53.386 -0.346 1
1 213 . 12 1 1 A 16 16 LEU CB C 16 45.782 45.616 0.166 1
1 217 . 12 1 1 A 16 16 LEU N N 16 123.620 125.767 -2.147 1
1 218 . 12 1 1 A 17 17 ASN H H 17 8.694 8.820 -0.126 1
1 219 . 12 1 1 A 17 17 ASN HA H 17 4.632 4.810 -0.178 1
1 224 . 12 1 1 A 17 17 ASN C C 17 175.500 175.990 -0.490 1
1 225 . 12 1 1 A 17 17 ASN CA C 17 53.310 53.744 -0.434 1
1 226 . 12 1 1 A 17 17 ASN CB C 17 38.508 40.051 -1.543 1
1 227 . 12 1 1 A 17 17 ASN N N 17 121.330 123.136 -1.806 1
1 229 . 12 1 1 A 18 18 GLU H H 18 8.793 9.169 -0.376 1
1 230 . 12 1 1 A 18 18 GLU HA H 18 3.736 4.511 -0.775 1
1 235 . 12 1 1 A 18 18 GLU C C 18 175.250 176.629 -1.379 1
1 236 . 12 1 1 A 18 18 GLU CA C 18 58.330 56.164 2.166 1
1 237 . 12 1 1 A 18 18 GLU CB C 18 29.947 30.239 -0.292 1
1 239 . 12 1 1 A 18 18 GLU N N 18 124.750 125.497 -0.747 1
1 240 . 12 1 1 A 19 19 GLU H H 19 8.187 7.512 0.675 1
1 241 . 12 1 1 A 19 19 GLU HA H 19 3.885 4.449 -0.564 1
1 246 . 12 1 1 A 19 19 GLU C C 19 177.350 174.052 3.298 1
1 247 . 12 1 1 A 19 19 GLU CA C 19 57.730 55.735 1.995 1
1 248 . 12 1 1 A 19 19 GLU CB C 19 29.744 30.229 -0.485 1
1 250 . 12 1 1 A 19 19 GLU N N 19 117.280 119.380 -2.100 1
1 251 . 12 1 1 A 20 20 TYR H H 20 7.135 7.516 -0.381 1
1 252 . 12 1 1 A 20 20 TYR HA H 20 4.668 4.962 -0.294 1
1 259 . 12 1 1 A 20 20 TYR CA C 20 56.050 56.180 -0.130 1
1 260 . 12 1 1 A 20 20 TYR CB C 20 38.464 41.095 -2.631 1
1 263 . 12 1 1 A 20 20 TYR N N 20 117.730 120.234 -2.504 1
1 264 . 12 1 1 A 21 21 GLU H H 21 10.044 8.892 1.152 1
1 265 . 12 1 1 A 21 21 GLU HA H 21 3.807 3.912 -0.105 1
1 270 . 12 1 1 A 21 21 GLU C C 21 179.150 178.095 1.055 1
1 271 . 12 1 1 A 21 21 GLU CA C 21 60.640 60.439 0.201 1
1 272 . 12 1 1 A 21 21 GLU CB C 21 29.167 29.743 -0.576 1
1 274 . 12 1 1 A 21 21 GLU N N 21 129.480 125.394 4.086 1
1 275 . 12 1 1 A 22 22 VAL H H 22 9.539 8.141 1.398 1
1 276 . 12 1 1 A 22 22 VAL HA H 22 3.574 3.731 -0.157 1
1 284 . 12 1 1 A 22 22 VAL C C 22 175.490 177.751 -2.261 1
1 285 . 12 1 1 A 22 22 VAL CA C 22 64.470 65.184 -0.714 1
1 286 . 12 1 1 A 22 22 VAL CB C 22 30.858 30.876 -0.018 1
1 289 . 12 1 1 A 22 22 VAL N N 22 115.360 118.800 -3.440 1
1 290 . 12 1 1 A 23 23 VAL H H 23 6.843 7.939 -1.096 1
1 291 . 12 1 1 A 23 23 VAL HA H 23 3.387 3.644 -0.257 1
1 299 . 12 1 1 A 23 23 VAL C C 23 176.900 178.351 -1.451 1
1 300 . 12 1 1 A 23 23 VAL CA C 23 67.030 66.954 0.076 1
1 301 . 12 1 1 A 23 23 VAL CB C 23 31.499 31.434 0.065 1
1 304 . 12 1 1 A 23 23 VAL N N 23 121.150 121.285 -0.135 1
1 305 . 12 1 1 A 24 24 LYS H H 24 7.533 7.670 -0.137 1
1 306 . 12 1 1 A 24 24 LYS HA H 24 3.851 4.022 -0.171 1
1 315 . 12 1 1 A 24 24 LYS C C 24 179.820 179.488 0.332 1
1 316 . 12 1 1 A 24 24 LYS CA C 24 60.480 59.820 0.660 1
1 317 . 12 1 1 A 24 24 LYS CB C 24 32.626 32.238 0.388 1
1 321 . 12 1 1 A 24 24 LYS N N 24 120.120 119.481 0.639 1
1 322 . 12 1 1 A 25 25 LEU H H 25 7.870 8.046 -0.176 1
1 323 . 12 1 1 A 25 25 LEU HA H 25 4.097 4.056 0.041 1
1 333 . 12 1 1 A 25 25 LEU C C 25 180.620 179.400 1.220 1
1 334 . 12 1 1 A 25 25 LEU CA C 25 57.440 57.829 -0.389 1
1 335 . 12 1 1 A 25 25 LEU CB C 25 41.717 41.201 0.516 1
1 339 . 12 1 1 A 25 25 LEU N N 25 117.260 120.032 -2.772 1
1 340 . 12 1 1 A 26 26 LEU H H 26 8.489 8.627 -0.138 1
1 341 . 12 1 1 A 26 26 LEU HA H 26 3.703 3.880 -0.177 1
1 351 . 12 1 1 A 26 26 LEU C C 26 178.820 179.254 -0.434 1
1 352 . 12 1 1 A 26 26 LEU CA C 26 58.310 57.645 0.665 1
1 353 . 12 1 1 A 26 26 LEU CB C 26 42.487 41.611 0.876 1
1 357 . 12 1 1 A 26 26 LEU N N 26 121.760 119.317 2.443 1
1 358 . 12 1 1 A 27 27 LYS H H 27 8.190 7.939 0.251 1
1 359 . 12 1 1 A 27 27 LYS HA H 27 3.799 4.216 -0.417 1
1 368 . 12 1 1 A 27 27 LYS C C 27 177.470 178.757 -1.287 1
1 369 . 12 1 1 A 27 27 LYS CA C 27 60.480 59.326 1.154 1
1 370 . 12 1 1 A 27 27 LYS CB C 27 33.472 32.225 1.247 1
1 374 . 12 1 1 A 27 27 LYS N N 27 117.650 120.808 -3.158 1
1 375 . 12 1 1 A 28 28 GLU H H 28 6.841 8.053 -1.212 1
1 376 . 12 1 1 A 28 28 GLU HA H 28 4.238 4.193 0.045 1
1 381 . 12 1 1 A 28 28 GLU C C 28 177.280 177.881 -0.601 1
1 382 . 12 1 1 A 28 28 GLU CA C 28 57.370 58.775 -1.405 1
1 383 . 12 1 1 A 28 28 GLU CB C 28 30.480 29.788 0.692 1
1 385 . 12 1 1 A 28 28 GLU N N 28 111.940 118.047 -6.107 1
1 386 . 12 1 1 A 29 29 LYS H H 29 7.577 7.714 -0.137 1
1 387 . 12 1 1 A 29 29 LYS HA H 29 4.414 4.439 -0.025 1
1 396 . 12 1 1 A 29 29 LYS C C 29 175.230 174.909 0.321 1
1 397 . 12 1 1 A 29 29 LYS CA C 29 53.800 55.019 -1.219 1
1 398 . 12 1 1 A 29 29 LYS CB C 29 33.530 32.301 1.229 1
1 402 . 12 1 1 A 29 29 LYS N N 29 115.460 115.718 -0.258 1
1 403 . 12 1 1 A 30 30 ILE H H 30 6.921 7.506 -0.585 1
1 404 . 12 1 1 A 30 30 ILE HA H 30 3.939 4.647 -0.708 1
1 414 . 12 1 1 A 30 30 ILE CA C 30 60.290 57.381 2.909 1
1 415 . 12 1 1 A 30 30 ILE CB C 30 39.967 40.959 -0.992 1
1 419 . 12 1 1 A 30 30 ILE N N 30 122.100 120.914 1.186 1
1 420 . 12 1 1 A 31 31 PRO HA H 31 4.840 4.809 0.031 1
1 427 . 12 1 1 A 31 31 PRO C C 31 175.340 176.298 -0.958 1
1 428 . 12 1 1 A 31 31 PRO CA C 31 62.720 62.662 0.058 1
1 429 . 12 1 1 A 31 31 PRO CB C 31 36.350 33.101 3.249 1
1 432 . 12 1 1 A 32 32 PHE H H 32 7.627 8.656 -1.029 1
1 433 . 12 1 1 A 32 32 PHE HA H 32 4.959 4.978 -0.019 1
1 441 . 12 1 1 A 32 32 PHE C C 32 171.870 172.286 -0.416 1
1 442 . 12 1 1 A 32 32 PHE CA C 32 56.300 56.187 0.113 1
1 443 . 12 1 1 A 32 32 PHE CB C 32 40.253 41.248 -0.995 1
1 447 . 12 1 1 A 32 32 PHE N N 32 112.880 116.854 -3.974 1
1 448 . 12 1 1 A 33 33 GLU H H 33 8.728 8.679 0.049 1
1 449 . 12 1 1 A 33 33 GLU HA H 33 5.309 5.199 0.110 1
1 454 . 12 1 1 A 33 33 GLU C C 33 175.630 175.158 0.472 1
1 455 . 12 1 1 A 33 33 GLU CA C 33 54.450 54.585 -0.135 1
1 456 . 12 1 1 A 33 33 GLU CB C 33 33.814 33.023 0.791 1
1 458 . 12 1 1 A 33 33 GLU N N 33 118.710 119.336 -0.626 1
1 459 . 12 1 1 A 34 34 SER H H 34 8.964 8.200 0.764 1
1 460 . 12 1 1 A 34 34 SER HA H 34 4.803 4.888 -0.085 1
1 463 . 12 1 1 A 34 34 SER C C 34 174.560 172.826 1.734 1
1 464 . 12 1 1 A 34 34 SER CA C 34 55.830 56.606 -0.776 1
1 465 . 12 1 1 A 34 34 SER CB C 34 64.270 65.871 -1.601 1
1 466 . 12 1 1 A 34 34 SER N N 34 115.150 115.808 -0.658 1
1 467 . 12 1 1 A 35 35 VAL H H 35 8.322 8.655 -0.333 1
1 468 . 12 1 1 A 35 35 VAL HA H 35 4.724 4.470 0.254 1
1 476 . 12 1 1 A 35 35 VAL C C 35 174.950 175.401 -0.451 1
1 477 . 12 1 1 A 35 35 VAL CA C 35 61.350 61.897 -0.547 1
1 478 . 12 1 1 A 35 35 VAL CB C 35 35.676 32.862 2.814 1
1 481 . 12 1 1 A 35 35 VAL N N 35 121.700 122.544 -0.844 1
1 482 . 12 1 1 A 36 36 VAL H H 36 9.200 8.934 0.266 1
1 483 . 12 1 1 A 36 36 VAL HA H 36 3.999 4.420 -0.421 1
1 491 . 12 1 1 A 36 36 VAL C C 36 175.490 175.230 0.260 1
1 492 . 12 1 1 A 36 36 VAL CA C 36 63.900 62.004 1.896 1
1 493 . 12 1 1 A 36 36 VAL CB C 36 33.593 30.290 3.303 1
1 496 . 12 1 1 A 36 36 VAL N N 36 123.870 128.216 -4.346 1
1 497 . 12 1 1 A 37 37 ASN H H 37 8.739 7.872 0.867 1
1 498 . 12 1 1 A 37 37 ASN HA H 37 5.276 4.541 0.735 1
1 503 . 12 1 1 A 37 37 ASN C C 37 174.040 175.293 -1.253 1
1 504 . 12 1 1 A 37 37 ASN CA C 37 51.960 53.727 -1.767 1
1 505 . 12 1 1 A 37 37 ASN CB C 37 41.996 38.084 3.912 1
1 506 . 12 1 1 A 37 37 ASN N N 37 123.895 123.472 0.423 1
1 508 . 12 1 1 A 38 38 THR H H 38 8.703 8.872 -0.169 1
1 509 . 12 1 1 A 38 38 THR HA H 38 5.323 5.496 -0.173 1
1 514 . 12 1 1 A 38 38 THR C C 38 174.910 173.804 1.106 1
1 515 . 12 1 1 A 38 38 THR CA C 38 59.740 59.452 0.288 1
1 516 . 12 1 1 A 38 38 THR CB C 38 71.332 72.004 -0.672 1
1 518 . 12 1 1 A 38 38 THR N N 38 111.440 112.535 -1.095 1
1 519 . 12 1 1 A 39 39 TRP H H 39 8.489 8.853 -0.364 1
1 520 . 12 1 1 A 39 39 TRP HA H 39 4.838 5.018 -0.180 1
1 529 . 12 1 1 A 39 39 TRP C C 39 175.270 176.235 -0.965 1
1 530 . 12 1 1 A 39 39 TRP CA C 39 57.040 56.860 0.180 1
1 531 . 12 1 1 A 39 39 TRP CB C 39 29.089 32.346 -3.257 1
1 537 . 12 1 1 A 39 39 TRP N N 39 125.321 123.711 1.610 1
1 539 . 12 1 1 A 40 40 GLY H H 40 8.596 8.973 -0.377 1
1 540 . 12 1 1 A 40 40 GLY HA2 H 40 3.528 3.504 0.024 1
1 541 . 12 1 1 A 40 40 GLY HA3 H 40 3.465 3.673 -0.208 1
1 542 . 12 1 1 A 40 40 GLY CA C 40 47.619 47.123 0.496 1
1 543 . 12 1 1 A 40 40 GLY N N 40 113.220 117.012 -3.792 1
1 544 . 12 1 1 A 41 41 GLU H H 41 7.870 8.567 -0.697 1
1 545 . 12 1 1 A 41 41 GLU HA H 41 3.717 4.355 -0.638 1
1 550 . 12 1 1 A 41 41 GLU C C 41 171.810 174.974 -3.164 1
1 551 . 12 1 1 A 41 41 GLU CA C 41 55.390 55.193 0.197 1
1 552 . 12 1 1 A 41 41 GLU CB C 41 26.025 30.004 -3.979 1
1 554 . 12 1 1 A 41 41 GLU N N 41 128.227 125.769 2.458 1
1 555 . 12 1 1 A 42 42 GLU H H 42 7.158 7.643 -0.485 1
1 556 . 12 1 1 A 42 42 GLU HA H 42 4.811 4.907 -0.096 1
1 561 . 12 1 1 A 42 42 GLU C C 42 175.680 175.048 0.632 1
1 562 . 12 1 1 A 42 42 GLU CA C 42 53.860 54.325 -0.465 1
1 563 . 12 1 1 A 42 42 GLU CB C 42 31.149 33.507 -2.358 1
1 565 . 12 1 1 A 42 42 GLU N N 42 116.880 117.257 -0.377 1
1 566 . 12 1 1 A 43 43 ILE H H 43 8.226 8.287 -0.061 1
1 567 . 12 1 1 A 43 43 ILE HA H 43 4.934 5.237 -0.303 1
1 577 . 12 1 1 A 43 43 ILE C C 43 174.420 174.239 0.181 1
1 578 . 12 1 1 A 43 43 ILE CA C 43 59.250 59.981 -0.731 1
1 579 . 12 1 1 A 43 43 ILE CB C 43 43.278 41.010 2.268 1
1 583 . 12 1 1 A 43 43 ILE N N 43 125.120 122.104 3.016 1
1 584 . 12 1 1 A 44 44 TYR H H 44 9.318 8.909 0.409 1
1 585 . 12 1 1 A 44 44 TYR HA H 44 6.008 5.381 0.627 1
1 592 . 12 1 1 A 44 44 TYR C C 44 174.150 173.066 1.084 1
1 593 . 12 1 1 A 44 44 TYR CA C 44 55.740 55.494 0.246 1
1 594 . 12 1 1 A 44 44 TYR CB C 44 42.606 41.677 0.929 1
1 597 . 12 1 1 A 44 44 TYR N N 44 124.370 122.683 1.687 1
1 598 . 12 1 1 A 45 45 PHE H H 45 8.211 8.839 -0.628 1
1 599 . 12 1 1 A 45 45 PHE HA H 45 5.088 5.422 -0.334 1
1 607 . 12 1 1 A 45 45 PHE C C 45 173.730 173.138 0.592 1
1 608 . 12 1 1 A 45 45 PHE CA C 45 55.140 55.532 -0.392 1
1 609 . 12 1 1 A 45 45 PHE CB C 45 40.793 42.054 -1.261 1
1 613 . 12 1 1 A 45 45 PHE N N 45 114.110 117.035 -2.925 1
1 614 . 12 1 1 A 46 46 SER H H 46 9.523 8.988 0.535 1
1 615 . 12 1 1 A 46 46 SER HA H 46 4.316 4.890 -0.574 1
1 618 . 12 1 1 A 46 46 SER C C 46 174.360 174.601 -0.241 1
1 619 . 12 1 1 A 46 46 SER CA C 46 59.960 58.257 1.703 1
1 620 . 12 1 1 A 46 46 SER CB C 46 63.980 63.063 0.917 1
1 621 . 12 1 1 A 46 46 SER N N 46 117.150 117.463 -0.313 1
1 622 . 12 1 1 A 47 47 THR H H 47 8.225 8.586 -0.361 1
1 623 . 12 1 1 A 47 47 THR HA H 47 4.971 4.886 0.085 1
1 628 . 12 1 1 A 47 47 THR CA C 47 59.160 60.694 -1.534 1
1 629 . 12 1 1 A 47 47 THR CB C 47 70.385 68.969 1.416 1
1 631 . 12 1 1 A 47 47 THR N N 47 113.910 119.685 -5.775 1
1 632 . 12 1 1 A 48 48 PRO HA H 48 4.585 4.329 0.256 1
1 639 . 12 1 1 A 48 48 PRO C C 48 175.940 176.628 -0.688 1
1 640 . 12 1 1 A 48 48 PRO CA C 48 62.410 65.311 -2.901 1
1 641 . 12 1 1 A 48 48 PRO CB C 48 31.770 31.784 -0.014 1
1 644 . 12 1 1 A 49 49 VAL H H 49 7.458 7.515 -0.057 1
1 645 . 12 1 1 A 49 49 VAL HA H 49 4.178 4.029 0.149 1
1 653 . 12 1 1 A 49 49 VAL C C 49 174.070 175.603 -1.533 1
1 654 . 12 1 1 A 49 49 VAL CA C 49 60.840 62.066 -1.226 1
1 655 . 12 1 1 A 49 49 VAL CB C 49 34.134 32.458 1.676 1
1 658 . 12 1 1 A 49 49 VAL N N 49 114.800 117.699 -2.899 1
1 659 . 12 1 1 A 50 50 ASN H H 50 8.897 8.725 0.172 1
1 660 . 12 1 1 A 50 50 ASN HA H 50 4.684 5.179 -0.495 1
1 665 . 12 1 1 A 50 50 ASN C C 50 173.550 175.642 -2.092 1
1 666 . 12 1 1 A 50 50 ASN CA C 50 51.610 52.170 -0.560 1
1 667 . 12 1 1 A 50 50 ASN CB C 50 39.730 38.624 1.106 1
1 668 . 12 1 1 A 50 50 ASN N N 50 126.400 123.580 2.820 1
1 670 . 12 1 1 A 51 51 VAL H H 51 7.587 7.238 0.349 1
1 671 . 12 1 1 A 51 51 VAL HA H 51 4.148 4.030 0.118 1
1 679 . 12 1 1 A 51 51 VAL C C 51 174.350 175.705 -1.355 1
1 680 . 12 1 1 A 51 51 VAL CA C 51 61.280 63.435 -2.155 1
1 681 . 12 1 1 A 51 51 VAL CB C 51 35.206 32.294 2.912 1
1 684 . 12 1 1 A 51 51 VAL N N 51 122.670 120.843 1.827 1
1 685 . 12 1 1 A 52 52 GLN H H 52 8.337 8.941 -0.604 1
1 686 . 12 1 1 A 52 52 GLN HA H 52 4.094 4.678 -0.584 1
1 693 . 12 1 1 A 52 52 GLN C C 52 176.240 175.851 0.389 1
1 694 . 12 1 1 A 52 52 GLN CA C 52 56.560 55.560 1.000 1
1 695 . 12 1 1 A 52 52 GLN CB C 52 29.745 30.346 -0.601 1
1 697 . 12 1 1 A 52 52 GLN N N 52 122.670 122.513 0.157 1
1 699 . 12 1 1 A 53 53 LYS H H 53 7.363 7.450 -0.087 1
1 700 . 12 1 1 A 53 53 LYS HA H 53 3.994 4.336 -0.342 1
1 709 . 12 1 1 A 53 53 LYS C C 53 176.010 175.709 0.301 1
1 710 . 12 1 1 A 53 53 LYS CA C 53 56.960 56.622 0.338 1
1 711 . 12 1 1 A 53 53 LYS CB C 53 33.000 33.121 -0.121 1
1 715 . 12 1 1 A 53 53 LYS N N 53 119.940 122.744 -2.804 1
1 716 . 12 1 1 A 54 54 MET H H 54 8.797 8.504 0.293 1
1 717 . 12 1 1 A 54 54 MET HA H 54 4.449 5.173 -0.724 1
1 725 . 12 1 1 A 54 54 MET C C 54 174.630 175.524 -0.894 1
1 726 . 12 1 1 A 54 54 MET CA C 54 54.530 53.508 1.022 1
1 727 . 12 1 1 A 54 54 MET CB C 54 36.912 34.876 2.036 1
1 730 . 12 1 1 A 54 54 MET N N 54 124.720 124.915 -0.195 1
1 731 . 12 1 1 A 55 55 GLU H H 55 9.773 8.397 1.376 1
1 732 . 12 1 1 A 55 55 GLU HA H 55 4.029 4.426 -0.397 1
1 737 . 12 1 1 A 55 55 GLU C C 55 176.930 177.109 -0.179 1
1 738 . 12 1 1 A 55 55 GLU CA C 55 59.910 58.099 1.811 1
1 739 . 12 1 1 A 55 55 GLU CB C 55 29.611 31.297 -1.686 1
1 741 . 12 1 1 A 55 55 GLU N N 55 124.250 122.256 1.994 1
1 742 . 12 1 1 A 56 56 ASN H H 56 8.371 7.749 0.622 1
1 743 . 12 1 1 A 56 56 ASN HA H 56 5.163 5.121 0.042 1
1 748 . 12 1 1 A 56 56 ASN CA C 56 50.680 50.363 0.317 1
1 749 . 12 1 1 A 56 56 ASN CB C 56 39.563 38.858 0.705 1
1 750 . 12 1 1 A 56 56 ASN N N 56 115.600 118.157 -2.557 1
1 752 . 12 1 1 A 57 57 PRO HA H 57 4.854 4.875 -0.021 1
1 759 . 12 1 1 A 57 57 PRO C C 57 178.760 176.144 2.616 1
1 760 . 12 1 1 A 57 57 PRO CA C 57 62.630 63.218 -0.588 1
1 761 . 12 1 1 A 57 57 PRO CB C 57 32.197 31.867 0.330 1
1 764 . 12 1 1 A 58 58 ARG H H 58 9.448 8.889 0.559 1
1 765 . 12 1 1 A 58 58 ARG HA H 58 4.636 4.814 -0.178 1
1 773 . 12 1 1 A 58 58 ARG C C 58 175.430 175.615 -0.185 1
1 774 . 12 1 1 A 58 58 ARG CA C 58 54.210 54.568 -0.358 1
1 775 . 12 1 1 A 58 58 ARG CB C 58 34.208 33.884 0.324 1
1 778 . 12 1 1 A 58 58 ARG N N 58 122.690 123.742 -1.052 1
1 780 . 12 1 1 A 59 59 GLU H H 59 8.694 8.852 -0.158 1
1 781 . 12 1 1 A 59 59 GLU HA H 59 4.096 4.610 -0.514 1
1 786 . 12 1 1 A 59 59 GLU C C 59 175.210 176.177 -0.967 1
1 787 . 12 1 1 A 59 59 GLU CA C 59 56.470 56.626 -0.156 1
1 788 . 12 1 1 A 59 59 GLU CB C 59 31.074 31.336 -0.262 1
1 790 . 12 1 1 A 59 59 GLU N N 59 119.520 121.112 -1.592 1
1 791 . 12 1 1 A 60 60 VAL H H 60 7.296 7.661 -0.365 1
1 792 . 12 1 1 A 60 60 VAL HA H 60 4.471 4.691 -0.220 1
1 800 . 12 1 1 A 60 60 VAL C C 60 174.900 175.072 -0.172 1
1 801 . 12 1 1 A 60 60 VAL CA C 60 61.058 60.463 0.595 1
1 802 . 12 1 1 A 60 60 VAL CB C 60 35.056 35.064 -0.008 1
1 805 . 12 1 1 A 60 60 VAL N N 60 117.380 119.740 -2.360 1
1 806 . 12 1 1 A 61 61 VAL H H 61 8.064 8.932 -0.868 1
1 807 . 12 1 1 A 61 61 VAL HA H 61 4.540 5.002 -0.462 1
1 815 . 12 1 1 A 61 61 VAL C C 61 172.880 174.076 -1.196 1
1 816 . 12 1 1 A 61 61 VAL CA C 61 58.820 59.083 -0.263 1
1 817 . 12 1 1 A 61 61 VAL CB C 61 33.464 36.066 -2.602 1
1 820 . 12 1 1 A 61 61 VAL N N 61 117.630 120.440 -2.810 1
1 821 . 12 1 1 A 62 62 GLU H H 62 8.620 8.579 0.041 1
1 822 . 12 1 1 A 62 62 GLU HA H 62 4.543 5.010 -0.467 1
1 827 . 12 1 1 A 62 62 GLU C C 62 176.350 176.312 0.038 1
1 828 . 12 1 1 A 62 62 GLU CA C 62 53.640 54.333 -0.693 1
1 829 . 12 1 1 A 62 62 GLU CB C 62 32.360 33.770 -1.410 1
1 831 . 12 1 1 A 62 62 GLU N N 62 118.060 119.986 -1.926 1
1 832 . 12 1 1 A 63 63 ILE H H 63 8.520 8.401 0.119 1
1 833 . 12 1 1 A 63 63 ILE HA H 63 3.275 4.251 -0.976 1
1 843 . 12 1 1 A 63 63 ILE C C 63 177.940 176.657 1.283 1
1 844 . 12 1 1 A 63 63 ILE CA C 63 64.410 61.633 2.777 1
1 845 . 12 1 1 A 63 63 ILE CB C 63 37.674 37.556 0.118 1
1 849 . 12 1 1 A 63 63 ILE N N 63 120.310 121.441 -1.131 1
1 850 . 12 1 1 A 64 64 GLY H H 64 9.091 8.024 1.067 1
1 851 . 12 1 1 A 64 64 GLY HA2 H 64 3.563 4.167 -0.604 1
1 852 . 12 1 1 A 64 64 GLY HA3 H 64 4.774 4.186 0.588 1
1 853 . 12 1 1 A 64 64 GLY C C 64 173.290 172.949 0.341 1
1 854 . 12 1 1 A 64 64 GLY CA C 64 45.359 45.563 -0.204 1
1 855 . 12 1 1 A 64 64 GLY N N 64 116.340 109.988 6.352 1
1 856 . 12 1 1 A 65 65 ASP H H 65 8.335 7.934 0.401 1
1 857 . 12 1 1 A 65 65 ASP HA H 65 4.914 5.358 -0.444 1
1 860 . 12 1 1 A 65 65 ASP C C 65 175.180 174.612 0.568 1
1 861 . 12 1 1 A 65 65 ASP CA C 65 56.630 52.597 4.033 1
1 862 . 12 1 1 A 65 65 ASP CB C 65 41.980 45.599 -3.619 1
1 863 . 12 1 1 A 65 65 ASP N N 65 121.610 119.384 2.226 1
1 864 . 12 1 1 A 66 66 VAL H H 66 7.580 8.697 -1.117 1
1 865 . 12 1 1 A 66 66 VAL HA H 66 5.085 4.730 0.355 1
1 873 . 12 1 1 A 66 66 VAL C C 66 176.170 174.053 2.117 1
1 874 . 12 1 1 A 66 66 VAL CA C 66 60.240 59.656 0.584 1
1 875 . 12 1 1 A 66 66 VAL CB C 66 33.783 36.056 -2.273 1
1 878 . 12 1 1 A 66 66 VAL N N 66 117.330 115.310 2.020 1
1 879 . 12 1 1 A 67 67 GLY H H 67 9.592 8.341 1.251 1
1 880 . 12 1 1 A 67 67 GLY HA2 H 67 5.899 4.546 1.353 1
1 881 . 12 1 1 A 67 67 GLY HA3 H 67 3.200 4.586 -1.386 1
1 882 . 12 1 1 A 67 67 GLY C C 67 171.740 171.908 -0.168 1
1 883 . 12 1 1 A 67 67 GLY CA C 67 43.580 44.891 -1.311 1
1 884 . 12 1 1 A 67 67 GLY N N 67 111.440 109.253 2.187 1
1 885 . 12 1 1 A 68 68 TYR H H 68 9.146 8.594 0.552 1
1 886 . 12 1 1 A 68 68 TYR HA H 68 5.809 5.170 0.639 1
1 889 . 12 1 1 A 68 68 TYR C C 68 173.860 173.650 0.210 1
1 890 . 12 1 1 A 68 68 TYR CA C 68 55.900 56.234 -0.334 1
1 891 . 12 1 1 A 68 68 TYR CB C 68 42.170 41.737 0.433 1
1 892 . 12 1 1 A 68 68 TYR N N 68 119.980 121.491 -1.511 1
1 893 . 12 1 1 A 69 69 TRP H H 69 9.213 8.772 0.441 1
1 894 . 12 1 1 A 69 69 TRP HA H 69 5.268 5.018 0.250 1
1 902 . 12 1 1 A 69 69 TRP CA C 69 53.390 55.042 -1.652 1
1 903 . 12 1 1 A 69 69 TRP CB C 69 30.442 30.094 0.348 1
1 908 . 12 1 1 A 69 69 TRP N N 69 132.150 129.856 2.294 1
1 910 . 12 1 1 A 70 70 PRO HA H 70 3.923 4.076 -0.153 1
1 917 . 12 1 1 A 70 70 PRO CA C 70 66.753 65.493 1.260 1
1 918 . 12 1 1 A 70 70 PRO CB C 70 30.054 31.799 -1.745 1
1 921 . 12 1 1 A 71 71 PRO HA H 71 3.716 4.132 -0.416 1
1 928 . 12 1 1 A 71 71 PRO CA C 71 65.803 64.486 1.317 1
1 929 . 12 1 1 A 71 71 PRO CB C 71 30.620 31.025 -0.405 1
1 932 . 12 1 1 A 72 72 GLY HA2 H 72 3.168 3.704 -0.536 1
1 933 . 12 1 1 A 72 72 GLY HA3 H 72 4.271 3.763 0.508 1
1 934 . 12 1 1 A 72 72 GLY C C 72 173.220 173.213 0.007 1
1 935 . 12 1 1 A 72 72 GLY CA C 72 44.350 45.016 -0.666 1
1 936 . 12 1 1 A 73 73 LYS H H 73 7.989 7.729 0.260 1
1 937 . 12 1 1 A 73 73 LYS HA H 73 3.566 3.676 -0.110 1
1 946 . 12 1 1 A 73 73 LYS C C 73 177.420 174.459 2.961 1
1 947 . 12 1 1 A 73 73 LYS CA C 73 57.790 56.960 0.830 1
1 948 . 12 1 1 A 73 73 LYS CB C 73 29.398 29.516 -0.118 1
1 952 . 12 1 1 A 73 73 LYS N N 73 121.515 115.633 5.882 1
1 953 . 12 1 1 A 74 74 ALA H H 74 6.969 7.491 -0.522 1
1 954 . 12 1 1 A 74 74 ALA HA H 74 5.123 4.996 0.127 1
1 958 . 12 1 1 A 74 74 ALA C C 74 177.490 176.001 1.489 1
1 959 . 12 1 1 A 74 74 ALA CA C 74 51.900 50.279 1.621 1
1 960 . 12 1 1 A 74 74 ALA CB C 74 23.090 21.856 1.234 1
1 961 . 12 1 1 A 74 74 ALA N N 74 118.780 119.457 -0.677 1
1 962 . 12 1 1 A 75 75 LEU H H 75 8.032 8.182 -0.150 1
1 963 . 12 1 1 A 75 75 LEU HA H 75 4.844 4.182 0.662 1
1 973 . 12 1 1 A 75 75 LEU C C 75 175.540 175.696 -0.156 1
1 974 . 12 1 1 A 75 75 LEU CA C 75 54.000 55.039 -1.039 1
1 975 . 12 1 1 A 75 75 LEU CB C 75 43.858 42.485 1.373 1
1 979 . 12 1 1 A 75 75 LEU N N 75 122.780 123.910 -1.130 1
1 980 . 12 1 1 A 76 76 CYS H H 76 8.813 8.220 0.593 1
1 981 . 12 1 1 A 76 76 CYS HA H 76 5.178 5.137 0.041 1
1 984 . 12 1 1 A 76 76 CYS C C 76 173.080 172.616 0.464 1
1 985 . 12 1 1 A 76 76 CYS CA C 76 55.850 57.693 -1.843 1
1 986 . 12 1 1 A 76 76 CYS CB C 76 31.922 32.412 -0.490 1
1 987 . 12 1 1 A 76 76 CYS N N 76 117.950 121.025 -3.075 1
1 988 . 12 1 1 A 77 77 LEU H H 77 9.621 8.438 1.183 1
1 989 . 12 1 1 A 77 77 LEU HA H 77 4.741 4.973 -0.232 1
1 999 . 12 1 1 A 77 77 LEU C C 77 175.040 175.146 -0.106 1
1 1000 . 12 1 1 A 77 77 LEU CA C 77 53.510 53.435 0.075 1
1 1001 . 12 1 1 A 77 77 LEU CB C 77 44.058 45.097 -1.039 1
1 1005 . 12 1 1 A 77 77 LEU N N 77 123.140 122.540 0.600 1
1 1006 . 12 1 1 A 78 78 PHE H H 78 7.930 9.367 -1.437 1
1 1007 . 12 1 1 A 78 78 PHE HA H 78 4.809 5.178 -0.369 1
1 1015 . 12 1 1 A 78 78 PHE C C 78 174.830 175.554 -0.724 1
1 1016 . 12 1 1 A 78 78 PHE CA C 78 58.140 56.228 1.912 1
1 1017 . 12 1 1 A 78 78 PHE CB C 78 39.603 41.204 -1.601 1
1 1021 . 12 1 1 A 78 78 PHE N N 78 120.120 123.112 -2.992 1
1 1022 . 12 1 1 A 79 79 PHE H H 79 8.038 8.546 -0.508 1
1 1023 . 12 1 1 A 79 79 PHE HA H 79 5.029 5.052 -0.023 1
1 1031 . 12 1 1 A 79 79 PHE C C 79 172.070 175.413 -3.343 1
1 1032 . 12 1 1 A 79 79 PHE CA C 79 55.630 56.591 -0.961 1
1 1033 . 12 1 1 A 79 79 PHE CB C 79 39.003 41.385 -2.382 1
1 1037 . 12 1 1 A 79 79 PHE N N 79 119.040 118.598 0.442 1
1 1038 . 12 1 1 A 80 80 GLY H H 80 7.489 7.463 0.026 1
1 1039 . 12 1 1 A 80 80 GLY HA2 H 80 3.653 4.002 -0.349 1
1 1040 . 12 1 1 A 80 80 GLY HA3 H 80 4.283 4.129 0.154 1
1 1041 . 12 1 1 A 80 80 GLY C C 80 170.830 171.375 -0.545 1
1 1042 . 12 1 1 A 80 80 GLY CA C 80 45.342 45.911 -0.569 1
1 1043 . 12 1 1 A 80 80 GLY N N 80 110.010 108.535 1.475 1
1 1044 . 12 1 1 A 81 81 LYS H H 81 8.186 8.445 -0.259 1
1 1045 . 12 1 1 A 81 81 LYS HA H 81 4.003 4.838 -0.835 1
1 1054 . 12 1 1 A 81 81 LYS C C 81 177.530 174.490 3.040 1
1 1055 . 12 1 1 A 81 81 LYS CA C 81 57.730 55.030 2.700 1
1 1056 . 12 1 1 A 81 81 LYS CB C 81 33.293 36.472 -3.179 1
1 1060 . 12 1 1 A 81 81 LYS N N 81 117.260 123.072 -5.812 1
1 1061 . 12 1 1 A 82 82 THR H H 82 8.076 8.603 -0.527 1
1 1062 . 12 1 1 A 82 82 THR HA H 82 4.423 4.662 -0.239 1
1 1067 . 12 1 1 A 82 82 THR CA C 82 59.230 58.539 0.691 1
1 1068 . 12 1 1 A 82 82 THR CB C 82 68.310 70.427 -2.117 1
1 1070 . 12 1 1 A 82 82 THR N N 82 113.611 115.423 -1.812 1
1 1071 . 12 1 1 A 83 83 PRO HA H 83 4.090 4.389 -0.299 1
1 1078 . 12 1 1 A 83 83 PRO CA C 83 63.743 63.722 0.021 1
1 1079 . 12 1 1 A 83 83 PRO CB C 83 32.167 32.458 -0.291 1
1 1082 . 12 1 1 A 84 84 MET HA H 84 4.220 4.711 -0.491 1
1 1090 . 12 1 1 A 84 84 MET C C 84 175.920 174.920 1.000 1
1 1091 . 12 1 1 A 84 84 MET CA C 84 55.880 55.231 0.649 1
1 1092 . 12 1 1 A 84 84 MET CB C 84 33.070 33.162 -0.092 1
1 1095 . 12 1 1 A 85 85 SER H H 85 7.256 7.282 -0.026 1
1 1096 . 12 1 1 A 85 85 SER HA H 85 4.401 4.834 -0.433 1
1 1099 . 12 1 1 A 85 85 SER C C 85 173.380 172.789 0.591 1
1 1100 . 12 1 1 A 85 85 SER CA C 85 58.230 55.985 2.245 1
1 1101 . 12 1 1 A 85 85 SER CB C 85 64.290 65.664 -1.374 1
1 1102 . 12 1 1 A 85 85 SER N N 85 111.370 115.661 -4.291 1
1 1103 . 12 1 1 A 86 86 ASP H H 86 8.517 8.794 -0.277 1
1 1104 . 12 1 1 A 86 86 ASP HA H 86 4.692 4.769 -0.077 1
1 1107 . 12 1 1 A 86 86 ASP C C 86 175.860 177.101 -1.241 1
1 1108 . 12 1 1 A 86 86 ASP CA C 86 54.150 55.158 -1.008 1
1 1109 . 12 1 1 A 86 86 ASP CB C 86 41.360 43.923 -2.563 1
1 1110 . 12 1 1 A 86 86 ASP N N 86 123.320 123.106 0.214 1
1 1111 . 12 1 1 A 87 87 ASP H H 87 8.412 8.439 -0.027 1
1 1112 . 12 1 1 A 87 87 ASP HA H 87 4.529 4.636 -0.107 1
1 1115 . 12 1 1 A 87 87 ASP C C 87 175.270 176.685 -1.415 1
1 1116 . 12 1 1 A 87 87 ASP CA C 87 54.870 55.965 -1.095 1
1 1117 . 12 1 1 A 87 87 ASP CB C 87 41.580 42.112 -0.532 1
1 1118 . 12 1 1 A 87 87 ASP N N 87 118.900 118.254 0.646 1
1 1119 . 12 1 1 A 88 88 LYS H H 88 7.869 7.319 0.550 1
1 1120 . 12 1 1 A 88 88 LYS HA H 88 4.372 4.660 -0.288 1
1 1129 . 12 1 1 A 88 88 LYS C C 88 174.870 175.178 -0.308 1
1 1130 . 12 1 1 A 88 88 LYS CA C 88 54.580 54.419 0.161 1
1 1131 . 12 1 1 A 88 88 LYS CB C 88 34.047 34.123 -0.076 1
1 1135 . 12 1 1 A 88 88 LYS N N 88 118.310 113.138 5.172 1
1 1136 . 12 1 1 A 89 89 ILE H H 89 8.604 8.571 0.033 1
1 1137 . 12 1 1 A 89 89 ILE HA H 89 3.873 4.414 -0.541 1
1 1147 . 12 1 1 A 89 89 ILE C C 89 174.480 175.022 -0.542 1
1 1148 . 12 1 1 A 89 89 ILE CA C 89 61.890 60.613 1.277 1
1 1149 . 12 1 1 A 89 89 ILE CB C 89 36.398 37.443 -1.045 1
1 1153 . 12 1 1 A 89 89 ILE N N 89 121.510 120.588 0.922 1
1 1154 . 12 1 1 A 90 90 GLN H H 90 8.015 8.777 -0.762 1
1 1155 . 12 1 1 A 90 90 GLN HA H 90 5.033 4.687 0.346 1
1 1162 . 12 1 1 A 90 90 GLN CA C 90 52.110 52.620 -0.510 1
1 1163 . 12 1 1 A 90 90 GLN CB C 90 32.045 28.993 3.052 1
1 1165 . 12 1 1 A 90 90 GLN N N 90 126.430 126.334 0.096 1
1 1167 . 12 1 1 A 91 91 PRO HA H 91 4.508 4.524 -0.016 1
1 1174 . 12 1 1 A 91 91 PRO C C 91 175.210 176.838 -1.628 1
1 1175 . 12 1 1 A 91 91 PRO CA C 91 61.680 62.290 -0.610 1
1 1176 . 12 1 1 A 91 91 PRO CB C 91 32.854 33.115 -0.261 1
1 1179 . 12 1 1 A 92 92 ALA H H 92 8.014 8.487 -0.473 1
1 1180 . 12 1 1 A 92 92 ALA HA H 92 3.931 4.150 -0.219 1
1 1184 . 12 1 1 A 92 92 ALA CA C 92 55.270 54.224 1.046 1
1 1185 . 12 1 1 A 92 92 ALA CB C 92 18.838 18.854 -0.016 1
1 1186 . 12 1 1 A 92 92 ALA N N 92 121.420 121.750 -0.330 1
1 1187 . 12 1 1 A 93 93 SER H H 93 7.391 7.585 -0.194 1
1 1188 . 12 1 1 A 93 93 SER HA H 93 4.223 4.642 -0.419 1
1 1191 . 12 1 1 A 93 93 SER C C 93 171.670 172.360 -0.690 1
1 1192 . 12 1 1 A 93 93 SER CA C 93 57.240 56.104 1.136 1
1 1193 . 12 1 1 A 93 93 SER CB C 93 63.620 65.003 -1.383 1
1 1194 . 12 1 1 A 93 93 SER N N 93 105.210 110.487 -5.277 1
1 1195 . 12 1 1 A 94 94 ALA H H 94 8.276 8.606 -0.330 1
1 1196 . 12 1 1 A 94 94 ALA HA H 94 4.113 4.785 -0.672 1
1 1200 . 12 1 1 A 94 94 ALA C C 94 177.150 176.652 0.498 1
1 1201 . 12 1 1 A 94 94 ALA CA C 94 53.810 51.439 2.371 1
1 1202 . 12 1 1 A 94 94 ALA CB C 94 19.219 17.484 1.735 1
1 1203 . 12 1 1 A 94 94 ALA N N 94 117.972 124.807 -6.835 1
1 1204 . 12 1 1 A 95 95 VAL H H 95 7.886 7.841 0.045 1
1 1205 . 12 1 1 A 95 95 VAL HA H 95 5.037 4.286 0.751 1
1 1213 . 12 1 1 A 95 95 VAL C C 95 174.060 175.988 -1.928 1
1 1214 . 12 1 1 A 95 95 VAL CA C 95 57.510 63.714 -6.204 1
1 1215 . 12 1 1 A 95 95 VAL CB C 95 35.106 32.446 2.660 1
1 1218 . 12 1 1 A 95 95 VAL N N 95 108.410 122.509 -14.099 1
1 1219 . 12 1 1 A 96 96 ASN H H 96 9.178 8.820 0.358 1
1 1220 . 12 1 1 A 96 96 ASN HA H 96 4.897 5.242 -0.345 1
1 1225 . 12 1 1 A 96 96 ASN C C 96 176.600 174.297 2.303 1
1 1226 . 12 1 1 A 96 96 ASN CA C 96 50.790 52.075 -1.285 1
1 1227 . 12 1 1 A 96 96 ASN CB C 96 39.637 40.393 -0.756 1
1 1228 . 12 1 1 A 96 96 ASN N N 96 121.250 124.341 -3.091 1
1 1230 . 12 1 1 A 97 97 VAL H H 97 8.503 8.914 -0.411 1
1 1231 . 12 1 1 A 97 97 VAL HA H 97 4.421 4.337 0.084 1
1 1239 . 12 1 1 A 97 97 VAL C C 97 176.450 176.548 -0.098 1
1 1240 . 12 1 1 A 97 97 VAL CA C 97 66.030 62.505 3.525 1
1 1241 . 12 1 1 A 97 97 VAL CB C 97 30.552 31.772 -1.220 1
1 1244 . 12 1 1 A 97 97 VAL N N 97 129.670 126.144 3.526 1
1 1245 . 12 1 1 A 98 98 ILE H H 98 8.129 8.858 -0.729 1
1 1246 . 12 1 1 A 98 98 ILE HA H 98 4.628 4.646 -0.018 1
1 1256 . 12 1 1 A 98 98 ILE C C 98 174.270 175.554 -1.284 1
1 1257 . 12 1 1 A 98 98 ILE CA C 98 61.240 60.807 0.433 1
1 1258 . 12 1 1 A 98 98 ILE CB C 98 39.812 39.424 0.388 1
1 1262 . 12 1 1 A 98 98 ILE N N 98 119.500 121.762 -2.262 1
1 1263 . 12 1 1 A 99 99 GLY H H 99 7.668 8.108 -0.440 1
1 1264 . 12 1 1 A 99 99 GLY HA2 H 99 4.435 4.137 0.298 1
1 1265 . 12 1 1 A 99 99 GLY HA3 H 99 4.637 4.141 0.496 1
1 1266 . 12 1 1 A 99 99 GLY C C 99 172.410 172.280 0.130 1
1 1267 . 12 1 1 A 99 99 GLY CA C 99 46.906 44.611 2.295 1
1 1268 . 12 1 1 A 99 99 GLY N N 99 107.230 111.823 -4.593 1
1 1269 . 12 1 1 A 100 100 LYS H H 100 8.347 8.641 -0.294 1
1 1270 . 12 1 1 A 100 100 LYS HA H 100 5.540 5.043 0.497 1
1 1279 . 12 1 1 A 100 100 LYS C C 100 175.740 174.680 1.060 1
1 1280 . 12 1 1 A 100 100 LYS CA C 100 54.150 54.952 -0.802 1
1 1281 . 12 1 1 A 100 100 LYS CB C 100 37.900 36.454 1.446 1
1 1285 . 12 1 1 A 100 100 LYS N N 100 119.730 120.326 -0.596 1
1 1286 . 12 1 1 A 101 101 ILE H H 101 9.542 9.050 0.492 1
1 1287 . 12 1 1 A 101 101 ILE HA H 101 4.184 4.195 -0.011 1
1 1297 . 12 1 1 A 101 101 ILE C C 101 176.010 177.410 -1.400 1
1 1298 . 12 1 1 A 101 101 ILE CA C 101 62.940 61.669 1.271 1
1 1299 . 12 1 1 A 101 101 ILE CB C 101 39.212 36.999 2.213 1
1 1303 . 12 1 1 A 101 101 ILE N N 101 124.050 127.039 -2.989 1
1 1304 . 12 1 1 A 102 102 VAL H H 102 8.728 8.167 0.561 1
1 1305 . 12 1 1 A 102 102 VAL HA H 102 4.591 4.095 0.496 1
1 1313 . 12 1 1 A 102 102 VAL C C 102 175.730 175.848 -0.118 1
1 1314 . 12 1 1 A 102 102 VAL CA C 102 62.030 64.000 -1.970 1
1 1315 . 12 1 1 A 102 102 VAL CB C 102 33.307 32.113 1.194 1
1 1318 . 12 1 1 A 102 102 VAL N N 102 121.420 125.071 -3.651 1
1 1319 . 12 1 1 A 103 103 GLU H H 103 7.912 7.948 -0.036 1
1 1320 . 12 1 1 A 103 103 GLU HA H 103 4.661 4.548 0.113 1
1 1325 . 12 1 1 A 103 103 GLU C C 103 176.520 176.001 0.519 1
1 1326 . 12 1 1 A 103 103 GLU CA C 103 56.550 55.413 1.137 1
1 1327 . 12 1 1 A 103 103 GLU CB C 103 34.180 33.339 0.841 1
1 1329 . 12 1 1 A 103 103 GLU N N 103 120.750 120.144 0.606 1
1 1330 . 12 1 1 A 104 104 GLY H H 104 8.934 8.780 0.154 1
1 1331 . 12 1 1 A 104 104 GLY HA2 H 104 3.932 3.952 -0.020 1
1 1332 . 12 1 1 A 104 104 GLY HA3 H 104 4.345 3.967 0.378 1
1 1333 . 12 1 1 A 104 104 GLY C C 104 175.230 175.140 0.090 1
1 1334 . 12 1 1 A 104 104 GLY CA C 104 46.616 46.677 -0.061 1
1 1335 . 12 1 1 A 104 104 GLY N N 104 111.140 111.360 -0.220 1
1 1336 . 12 1 1 A 105 105 LEU H H 105 8.158 7.916 0.242 1
1 1337 . 12 1 1 A 105 105 LEU HA H 105 3.702 3.805 -0.103 1
1 1347 . 12 1 1 A 105 105 LEU C C 105 179.250 178.638 0.612 1
1 1348 . 12 1 1 A 105 105 LEU CA C 105 59.400 58.072 1.328 1
1 1349 . 12 1 1 A 105 105 LEU CB C 105 42.743 42.702 0.041 1
1 1353 . 12 1 1 A 105 105 LEU N N 105 121.390 122.509 -1.119 1
1 1354 . 12 1 1 A 106 106 GLU H H 106 8.944 8.084 0.860 1
1 1355 . 12 1 1 A 106 106 GLU HA H 106 3.978 4.185 -0.207 1
1 1360 . 12 1 1 A 106 106 GLU C C 106 178.120 178.902 -0.782 1
1 1361 . 12 1 1 A 106 106 GLU CA C 106 58.720 59.004 -0.284 1
1 1362 . 12 1 1 A 106 106 GLU CB C 106 28.920 29.201 -0.281 1
1 1364 . 12 1 1 A 106 106 GLU N N 106 113.860 117.655 -3.795 1
1 1365 . 12 1 1 A 107 107 ASP H H 107 7.538 8.017 -0.479 1
1 1366 . 12 1 1 A 107 107 ASP HA H 107 4.344 4.252 0.092 1
1 1369 . 12 1 1 A 107 107 ASP C C 107 178.190 178.439 -0.249 1
1 1370 . 12 1 1 A 107 107 ASP CA C 107 55.780 56.648 -0.868 1
1 1371 . 12 1 1 A 107 107 ASP CB C 107 41.191 40.334 0.857 1
1 1372 . 12 1 1 A 107 107 ASP N N 107 119.620 119.592 0.028 1
1 1373 . 12 1 1 A 108 108 LEU H H 108 7.115 8.004 -0.889 1
1 1374 . 12 1 1 A 108 108 LEU HA H 108 3.357 3.666 -0.309 1
1 1384 . 12 1 1 A 108 108 LEU C C 108 177.920 179.218 -1.298 1
1 1385 . 12 1 1 A 108 108 LEU CA C 108 57.000 57.155 -0.155 1
1 1386 . 12 1 1 A 108 108 LEU CB C 108 38.445 40.461 -2.016 1
1 1390 . 12 1 1 A 108 108 LEU N N 108 117.551 119.951 -2.400 1
1 1391 . 12 1 1 A 109 109 LYS H H 109 7.179 7.634 -0.455 1
1 1392 . 12 1 1 A 109 109 LYS HA H 109 3.879 4.208 -0.329 1
1 1401 . 12 1 1 A 109 109 LYS C C 109 176.650 177.701 -1.051 1
1 1402 . 12 1 1 A 109 109 LYS CA C 109 57.792 58.442 -0.650 1
1 1403 . 12 1 1 A 109 109 LYS CB C 109 32.184 32.126 0.058 1
1 1407 . 12 1 1 A 109 109 LYS N N 109 115.080 117.328 -2.248 1
1 1408 . 12 1 1 A 110 110 LYS H H 110 7.364 7.750 -0.386 1
1 1409 . 12 1 1 A 110 110 LYS HA H 110 4.016 4.505 -0.489 1
1 1418 . 12 1 1 A 110 110 LYS C C 110 175.890 176.062 -0.172 1
1 1419 . 12 1 1 A 110 110 LYS CA C 110 56.550 56.208 0.342 1
1 1420 . 12 1 1 A 110 110 LYS CB C 110 32.972 33.176 -0.204 1
1 1424 . 12 1 1 A 110 110 LYS N N 110 116.720 113.598 3.122 1
1 1425 . 12 1 1 A 111 111 ILE H H 111 6.626 7.067 -0.441 1
1 1426 . 12 1 1 A 111 111 ILE HA H 111 3.531 3.930 -0.399 1
1 1436 . 12 1 1 A 111 111 ILE C C 111 176.180 175.191 0.989 1
1 1437 . 12 1 1 A 111 111 ILE CA C 111 59.950 60.957 -1.007 1
1 1438 . 12 1 1 A 111 111 ILE CB C 111 34.946 37.749 -2.803 1
1 1442 . 12 1 1 A 111 111 ILE N N 111 117.000 122.031 -5.031 1
1 1443 . 12 1 1 A 112 112 LYS H H 112 8.388 8.499 -0.111 1
1 1444 . 12 1 1 A 112 112 LYS HA H 112 4.356 4.788 -0.432 1
1 1453 . 12 1 1 A 112 112 LYS C C 112 175.750 177.076 -1.326 1
1 1454 . 12 1 1 A 112 112 LYS CA C 112 54.430 54.310 0.120 1
1 1455 . 12 1 1 A 112 112 LYS CB C 112 33.936 35.459 -1.523 1
1 1459 . 12 1 1 A 112 112 LYS N N 112 128.240 123.033 5.207 1
1 1460 . 12 1 1 A 113 113 ASP H H 113 8.103 8.838 -0.735 1
1 1461 . 12 1 1 A 113 113 ASP HA H 113 4.026 4.780 -0.754 1
1 1464 . 12 1 1 A 113 113 ASP C C 113 177.630 176.784 0.846 1
1 1465 . 12 1 1 A 113 113 ASP CA C 113 56.660 55.654 1.006 1
1 1466 . 12 1 1 A 113 113 ASP CB C 113 42.033 40.492 1.541 1
1 1467 . 12 1 1 A 113 113 ASP N N 113 119.040 122.694 -3.654 1
1 1468 . 12 1 1 A 114 114 GLY H H 114 8.635 7.755 0.880 1
1 1469 . 12 1 1 A 114 114 GLY HA2 H 114 3.547 4.133 -0.586 1
1 1470 . 12 1 1 A 114 114 GLY HA3 H 114 4.229 4.136 0.093 1
1 1471 . 12 1 1 A 114 114 GLY C C 114 174.640 175.032 -0.392 1
1 1472 . 12 1 1 A 114 114 GLY CA C 114 45.403 45.565 -0.162 1
1 1473 . 12 1 1 A 114 114 GLY N N 114 113.170 105.665 7.505 1
1 1474 . 12 1 1 A 115 115 GLU H H 115 7.346 7.679 -0.333 1
1 1475 . 12 1 1 A 115 115 GLU HA H 115 4.113 4.447 -0.334 1
1 1480 . 12 1 1 A 115 115 GLU C C 115 175.840 175.545 0.295 1
1 1481 . 12 1 1 A 115 115 GLU CA C 115 58.180 56.247 1.933 1
1 1482 . 12 1 1 A 115 115 GLU CB C 115 30.902 29.488 1.414 1
1 1484 . 12 1 1 A 115 115 GLU N N 115 119.440 119.338 0.102 1
1 1485 . 12 1 1 A 116 116 LYS H H 116 9.107 8.029 1.078 1
1 1486 . 12 1 1 A 116 116 LYS HA H 116 4.529 4.132 0.397 1
1 1495 . 12 1 1 A 116 116 LYS C C 116 176.050 175.679 0.371 1
1 1496 . 12 1 1 A 116 116 LYS CA C 116 56.820 57.002 -0.182 1
1 1497 . 12 1 1 A 116 116 LYS CB C 116 33.358 30.942 2.416 1
1 1501 . 12 1 1 A 116 116 LYS N N 116 121.800 117.760 4.040 1
1 1502 . 12 1 1 A 117 117 VAL H H 117 7.860 7.869 -0.009 1
1 1503 . 12 1 1 A 117 117 VAL HA H 117 4.668 4.278 0.390 1
1 1511 . 12 1 1 A 117 117 VAL C C 117 171.630 174.147 -2.517 1
1 1512 . 12 1 1 A 117 117 VAL CA C 117 57.440 61.486 -4.046 1
1 1513 . 12 1 1 A 117 117 VAL CB C 117 34.614 31.924 2.690 1
1 1516 . 12 1 1 A 117 117 VAL N N 117 118.940 125.068 -6.128 1
1 1517 . 12 1 1 A 118 118 ALA H H 118 8.310 8.773 -0.463 1
1 1518 . 12 1 1 A 118 118 ALA HA H 118 4.506 4.314 0.192 1
1 1522 . 12 1 1 A 118 118 ALA C C 118 174.660 176.205 -1.545 1
1 1523 . 12 1 1 A 118 118 ALA CA C 118 50.370 51.084 -0.714 1
1 1524 . 12 1 1 A 118 118 ALA CB C 118 20.250 18.943 1.307 1
1 1525 . 12 1 1 A 118 118 ALA N N 118 130.190 131.678 -1.488 1
1 1526 . 12 1 1 A 119 119 VAL H H 119 8.295 8.413 -0.118 1
1 1527 . 12 1 1 A 119 119 VAL HA H 119 4.096 4.154 -0.058 1
1 1535 . 12 1 1 A 119 119 VAL C C 119 175.320 175.625 -0.305 1
1 1536 . 12 1 1 A 119 119 VAL CA C 119 61.570 62.051 -0.481 1
1 1537 . 12 1 1 A 119 119 VAL CB C 119 31.445 31.598 -0.153 1
1 1540 . 12 1 1 A 119 119 VAL N N 119 123.160 123.117 0.043 1
1 1541 . 12 1 1 A 120 120 ARG H H 120 8.596 9.104 -0.508 1
1 1542 . 12 1 1 A 120 120 ARG HA H 120 4.534 4.664 -0.130 1
1 1550 . 12 1 1 A 120 120 ARG C C 120 175.260 175.951 -0.691 1
1 1551 . 12 1 1 A 120 120 ARG CA C 120 53.740 53.661 0.079 1
1 1552 . 12 1 1 A 120 120 ARG CB C 120 34.359 33.566 0.793 1
1 1555 . 12 1 1 A 120 120 ARG N N 120 123.692 126.551 -2.859 1
1 1557 . 12 1 1 A 121 121 PHE H H 121 8.585 8.844 -0.259 1
1 1558 . 12 1 1 A 121 121 PHE HA H 121 4.591 4.469 0.122 1
1 1566 . 12 1 1 A 121 121 PHE C C 121 176.430 174.866 1.564 1
1 1567 . 12 1 1 A 121 121 PHE CA C 121 60.370 57.477 2.893 1
1 1568 . 12 1 1 A 121 121 PHE CB C 121 38.713 39.145 -0.432 1
1 1572 . 12 1 1 A 121 121 PHE N N 121 120.110 120.372 -0.262 1
1 1573 . 12 1 1 A 122 122 ALA H H 122 7.896 8.053 -0.157 1
1 1574 . 12 1 1 A 122 122 ALA HA H 122 4.304 4.003 0.301 1
1 1578 . 12 1 1 A 122 122 ALA C C 122 177.430 177.458 -0.028 1
1 1579 . 12 1 1 A 122 122 ALA CA C 122 52.050 52.909 -0.859 1
1 1580 . 12 1 1 A 122 122 ALA CB C 122 19.865 17.204 2.661 1
1 1581 . 12 1 1 A 122 122 ALA N N 122 123.820 121.445 2.375 1
1 1582 . 12 1 1 A 123 123 SER H H 123 8.675 8.321 0.354 1
1 1583 . 12 1 1 A 123 123 SER HA H 123 4.372 4.579 -0.207 1
1 1586 . 12 1 1 A 123 123 SER C C 123 173.630 173.522 0.108 1
1 1587 . 12 1 1 A 123 123 SER CA C 123 58.750 58.258 0.492 1
1 1588 . 12 1 1 A 123 123 SER CB C 123 63.870 63.256 0.614 1
1 1589 . 12 1 1 A 123 123 SER N N 123 117.330 112.277 5.053 1
1 14 . 13 1 1 A 2 2 ARG H H 2 9.247 8.731 0.516 1
1 15 . 13 1 1 A 2 2 ARG HA H 2 5.249 4.533 0.716 1
1 23 . 13 1 1 A 2 2 ARG C C 2 176.020 175.789 0.231 1
1 24 . 13 1 1 A 2 2 ARG CA C 2 56.360 56.735 -0.375 1
1 25 . 13 1 1 A 2 2 ARG CB C 2 31.953 31.116 0.837 1
1 28 . 13 1 1 A 2 2 ARG N N 2 129.420 124.291 5.129 1
1 30 . 13 1 1 A 3 3 VAL H H 3 9.361 8.448 0.913 1
1 31 . 13 1 1 A 3 3 VAL HA H 3 4.464 4.954 -0.490 1
1 39 . 13 1 1 A 3 3 VAL C C 3 173.160 173.775 -0.615 1
1 40 . 13 1 1 A 3 3 VAL CA C 3 61.330 60.388 0.942 1
1 41 . 13 1 1 A 3 3 VAL CB C 3 36.251 35.880 0.371 1
1 44 . 13 1 1 A 3 3 VAL N N 3 126.750 121.864 4.886 1
1 45 . 13 1 1 A 4 4 GLU H H 4 9.294 9.307 -0.013 1
1 46 . 13 1 1 A 4 4 GLU HA H 4 4.807 5.146 -0.339 1
1 51 . 13 1 1 A 4 4 GLU C C 4 173.020 175.093 -2.073 1
1 52 . 13 1 1 A 4 4 GLU CA C 4 54.890 54.616 0.274 1
1 53 . 13 1 1 A 4 4 GLU CB C 4 33.146 33.351 -0.205 1
1 55 . 13 1 1 A 4 4 GLU N N 4 128.550 127.652 0.898 1
1 56 . 13 1 1 A 5 5 LEU H H 5 8.685 9.522 -0.837 1
1 57 . 13 1 1 A 5 5 LEU HA H 5 4.547 4.528 0.019 1
1 67 . 13 1 1 A 5 5 LEU C C 5 173.750 174.258 -0.508 1
1 68 . 13 1 1 A 5 5 LEU CA C 5 52.450 53.689 -1.239 1
1 69 . 13 1 1 A 5 5 LEU CB C 5 41.998 43.019 -1.021 1
1 73 . 13 1 1 A 5 5 LEU N N 5 124.490 127.208 -2.718 1
1 74 . 13 1 1 A 6 6 LEU H H 6 8.608 8.696 -0.088 1
1 75 . 13 1 1 A 6 6 LEU HA H 6 4.502 5.001 -0.499 1
1 85 . 13 1 1 A 6 6 LEU C C 6 176.550 174.695 1.855 1
1 86 . 13 1 1 A 6 6 LEU CA C 6 53.790 52.975 0.815 1
1 87 . 13 1 1 A 6 6 LEU CB C 6 42.240 44.058 -1.818 1
1 91 . 13 1 1 A 6 6 LEU N N 6 123.330 126.973 -3.643 1
1 92 . 13 1 1 A 7 7 PHE H H 7 8.344 9.173 -0.829 1
1 93 . 13 1 1 A 7 7 PHE HA H 7 5.378 4.860 0.518 1
1 101 . 13 1 1 A 7 7 PHE C C 7 175.050 176.044 -0.994 1
1 102 . 13 1 1 A 7 7 PHE CA C 7 55.830 56.928 -1.098 1
1 103 . 13 1 1 A 7 7 PHE CB C 7 39.383 43.130 -3.747 1
1 108 . 13 1 1 A 7 7 PHE N N 7 125.190 122.973 2.217 1
1 109 . 13 1 1 A 8 8 GLU H H 8 8.226 8.817 -0.591 1
1 110 . 13 1 1 A 8 8 GLU HA H 8 4.266 4.040 0.226 1
1 115 . 13 1 1 A 8 8 GLU C C 8 180.740 178.919 1.821 1
1 116 . 13 1 1 A 8 8 GLU CA C 8 59.530 59.771 -0.241 1
1 117 . 13 1 1 A 8 8 GLU CB C 8 29.723 29.540 0.183 1
1 119 . 13 1 1 A 8 8 GLU N N 8 120.100 121.913 -1.813 1
1 120 . 13 1 1 A 9 9 SER H H 9 9.069 8.083 0.986 1
1 121 . 13 1 1 A 9 9 SER HA H 9 4.467 4.368 0.099 1
1 124 . 13 1 1 A 9 9 SER C C 9 173.740 174.349 -0.609 1
1 125 . 13 1 1 A 9 9 SER CA C 9 58.600 59.201 -0.601 1
1 126 . 13 1 1 A 9 9 SER CB C 9 63.120 63.721 -0.601 1
1 127 . 13 1 1 A 9 9 SER N N 9 112.770 114.354 -1.584 1
1 128 . 13 1 1 A 10 10 GLY H H 10 6.925 7.519 -0.594 1
1 129 . 13 1 1 A 10 10 GLY HA2 H 10 3.896 4.077 -0.181 1
1 130 . 13 1 1 A 10 10 GLY HA3 H 10 3.896 4.104 -0.208 1
1 131 . 13 1 1 A 10 10 GLY C C 10 170.040 171.308 -1.268 1
1 132 . 13 1 1 A 10 10 GLY CA C 10 45.466 45.925 -0.459 1
1 133 . 13 1 1 A 10 10 GLY N N 10 105.760 107.736 -1.976 1
1 134 . 13 1 1 A 11 11 LYS H H 11 9.071 8.888 0.183 1
1 135 . 13 1 1 A 11 11 LYS HA H 11 5.484 5.598 -0.114 1
1 144 . 13 1 1 A 11 11 LYS C C 11 174.230 174.248 -0.018 1
1 145 . 13 1 1 A 11 11 LYS CA C 11 55.460 55.039 0.421 1
1 146 . 13 1 1 A 11 11 LYS CB C 11 36.408 36.621 -0.213 1
1 150 . 13 1 1 A 11 11 LYS N N 11 118.960 117.820 1.140 1
1 151 . 13 1 1 A 12 12 CYS H H 12 8.917 8.947 -0.030 1
1 152 . 13 1 1 A 12 12 CYS HA H 12 5.083 5.227 -0.144 1
1 155 . 13 1 1 A 12 12 CYS C C 12 171.760 172.925 -1.165 1
1 156 . 13 1 1 A 12 12 CYS CA C 12 56.770 57.686 -0.916 1
1 157 . 13 1 1 A 12 12 CYS CB C 12 31.267 33.371 -2.104 1
1 158 . 13 1 1 A 12 12 CYS N N 12 115.700 118.502 -2.802 1
1 159 . 13 1 1 A 13 13 VAL H H 13 8.474 8.785 -0.311 1
1 160 . 13 1 1 A 13 13 VAL HA H 13 4.992 4.938 0.054 1
1 168 . 13 1 1 A 13 13 VAL C C 13 175.660 175.514 0.146 1
1 169 . 13 1 1 A 13 13 VAL CA C 13 61.490 61.135 0.355 1
1 170 . 13 1 1 A 13 13 VAL CB C 13 35.125 35.382 -0.257 1
1 173 . 13 1 1 A 13 13 VAL N N 13 120.490 120.704 -0.214 1
1 174 . 13 1 1 A 14 14 ILE H H 14 9.378 9.365 0.013 1
1 175 . 13 1 1 A 14 14 ILE HA H 14 5.335 5.369 -0.034 1
1 185 . 13 1 1 A 14 14 ILE C C 14 172.570 173.446 -0.876 1
1 186 . 13 1 1 A 14 14 ILE CA C 14 58.540 59.124 -0.584 1
1 187 . 13 1 1 A 14 14 ILE CB C 14 40.755 41.355 -0.600 1
1 191 . 13 1 1 A 14 14 ILE N N 14 120.140 122.774 -2.634 1
1 192 . 13 1 1 A 15 15 ASP H H 15 9.295 8.857 0.438 1
1 193 . 13 1 1 A 15 15 ASP HA H 15 5.274 5.600 -0.326 1
1 196 . 13 1 1 A 15 15 ASP C C 15 176.510 174.380 2.130 1
1 197 . 13 1 1 A 15 15 ASP CA C 15 53.050 52.995 0.055 1
1 198 . 13 1 1 A 15 15 ASP CB C 15 44.007 44.816 -0.809 1
1 199 . 13 1 1 A 15 15 ASP N N 15 123.200 121.786 1.414 1
1 200 . 13 1 1 A 16 16 LEU H H 16 8.892 9.039 -0.147 1
1 201 . 13 1 1 A 16 16 LEU HA H 16 4.981 5.140 -0.159 1
1 211 . 13 1 1 A 16 16 LEU C C 16 175.430 175.518 -0.088 1
1 212 . 13 1 1 A 16 16 LEU CA C 16 53.040 53.780 -0.740 1
1 213 . 13 1 1 A 16 16 LEU CB C 16 45.782 45.948 -0.166 1
1 217 . 13 1 1 A 16 16 LEU N N 16 123.620 123.301 0.319 1
1 218 . 13 1 1 A 17 17 ASN H H 17 8.694 8.968 -0.274 1
1 219 . 13 1 1 A 17 17 ASN HA H 17 4.632 4.933 -0.301 1
1 224 . 13 1 1 A 17 17 ASN C C 17 175.500 176.545 -1.045 1
1 225 . 13 1 1 A 17 17 ASN CA C 17 53.310 53.071 0.239 1
1 226 . 13 1 1 A 17 17 ASN CB C 17 38.508 39.519 -1.011 1
1 227 . 13 1 1 A 17 17 ASN N N 17 121.330 122.440 -1.110 1
1 229 . 13 1 1 A 18 18 GLU H H 18 8.793 9.148 -0.355 1
1 230 . 13 1 1 A 18 18 GLU HA H 18 3.736 4.290 -0.554 1
1 235 . 13 1 1 A 18 18 GLU C C 18 175.250 177.295 -2.045 1
1 236 . 13 1 1 A 18 18 GLU CA C 18 58.330 57.922 0.408 1
1 237 . 13 1 1 A 18 18 GLU CB C 18 29.947 29.489 0.458 1
1 239 . 13 1 1 A 18 18 GLU N N 18 124.750 126.206 -1.456 1
1 240 . 13 1 1 A 19 19 GLU H H 19 8.187 8.131 0.056 1
1 241 . 13 1 1 A 19 19 GLU HA H 19 3.885 4.140 -0.255 1
1 246 . 13 1 1 A 19 19 GLU C C 19 177.350 175.705 1.645 1
1 247 . 13 1 1 A 19 19 GLU CA C 19 57.730 57.027 0.703 1
1 248 . 13 1 1 A 19 19 GLU CB C 19 29.744 28.866 0.878 1
1 250 . 13 1 1 A 19 19 GLU N N 19 117.280 116.801 0.479 1
1 251 . 13 1 1 A 20 20 TYR H H 20 7.135 7.510 -0.375 1
1 252 . 13 1 1 A 20 20 TYR HA H 20 4.668 4.752 -0.084 1
1 259 . 13 1 1 A 20 20 TYR CA C 20 56.050 57.927 -1.877 1
1 260 . 13 1 1 A 20 20 TYR CB C 20 38.464 40.018 -1.554 1
1 263 . 13 1 1 A 20 20 TYR N N 20 117.730 119.739 -2.009 1
1 264 . 13 1 1 A 21 21 GLU H H 21 10.044 9.096 0.948 1
1 265 . 13 1 1 A 21 21 GLU HA H 21 3.807 3.917 -0.110 1
1 270 . 13 1 1 A 21 21 GLU C C 21 179.150 178.359 0.791 1
1 271 . 13 1 1 A 21 21 GLU CA C 21 60.640 60.204 0.436 1
1 272 . 13 1 1 A 21 21 GLU CB C 21 29.167 29.814 -0.647 1
1 274 . 13 1 1 A 21 21 GLU N N 21 129.480 124.790 4.690 1
1 275 . 13 1 1 A 22 22 VAL H H 22 9.539 8.205 1.334 1
1 276 . 13 1 1 A 22 22 VAL HA H 22 3.574 3.681 -0.107 1
1 284 . 13 1 1 A 22 22 VAL C C 22 175.490 177.285 -1.795 1
1 285 . 13 1 1 A 22 22 VAL CA C 22 64.470 65.215 -0.745 1
1 286 . 13 1 1 A 22 22 VAL CB C 22 30.858 30.706 0.152 1
1 289 . 13 1 1 A 22 22 VAL N N 22 115.360 118.751 -3.391 1
1 290 . 13 1 1 A 23 23 VAL H H 23 6.843 7.929 -1.086 1
1 291 . 13 1 1 A 23 23 VAL HA H 23 3.387 3.673 -0.286 1
1 299 . 13 1 1 A 23 23 VAL C C 23 176.900 178.062 -1.162 1
1 300 . 13 1 1 A 23 23 VAL CA C 23 67.030 66.708 0.322 1
1 301 . 13 1 1 A 23 23 VAL CB C 23 31.499 31.771 -0.272 1
1 304 . 13 1 1 A 23 23 VAL N N 23 121.150 121.039 0.111 1
1 305 . 13 1 1 A 24 24 LYS H H 24 7.533 7.713 -0.180 1
1 306 . 13 1 1 A 24 24 LYS HA H 24 3.851 3.982 -0.131 1
1 315 . 13 1 1 A 24 24 LYS C C 24 179.820 179.467 0.353 1
1 316 . 13 1 1 A 24 24 LYS CA C 24 60.480 59.793 0.687 1
1 317 . 13 1 1 A 24 24 LYS CB C 24 32.626 32.633 -0.007 1
1 321 . 13 1 1 A 24 24 LYS N N 24 120.120 119.822 0.298 1
1 322 . 13 1 1 A 25 25 LEU H H 25 7.870 8.203 -0.333 1
1 323 . 13 1 1 A 25 25 LEU HA H 25 4.097 4.062 0.035 1
1 333 . 13 1 1 A 25 25 LEU C C 25 180.620 179.374 1.246 1
1 334 . 13 1 1 A 25 25 LEU CA C 25 57.440 57.957 -0.517 1
1 335 . 13 1 1 A 25 25 LEU CB C 25 41.717 41.459 0.258 1
1 339 . 13 1 1 A 25 25 LEU N N 25 117.260 120.167 -2.907 1
1 340 . 13 1 1 A 26 26 LEU H H 26 8.489 8.324 0.165 1
1 341 . 13 1 1 A 26 26 LEU HA H 26 3.703 3.878 -0.175 1
1 351 . 13 1 1 A 26 26 LEU C C 26 178.820 178.927 -0.107 1
1 352 . 13 1 1 A 26 26 LEU CA C 26 58.310 57.308 1.002 1
1 353 . 13 1 1 A 26 26 LEU CB C 26 42.487 41.055 1.432 1
1 357 . 13 1 1 A 26 26 LEU N N 26 121.760 119.189 2.571 1
1 358 . 13 1 1 A 27 27 LYS H H 27 8.190 7.952 0.238 1
1 359 . 13 1 1 A 27 27 LYS HA H 27 3.799 4.250 -0.451 1
1 368 . 13 1 1 A 27 27 LYS C C 27 177.470 178.789 -1.319 1
1 369 . 13 1 1 A 27 27 LYS CA C 27 60.480 59.185 1.295 1
1 370 . 13 1 1 A 27 27 LYS CB C 27 33.472 31.875 1.597 1
1 374 . 13 1 1 A 27 27 LYS N N 27 117.650 121.681 -4.031 1
1 375 . 13 1 1 A 28 28 GLU H H 28 6.841 7.713 -0.872 1
1 376 . 13 1 1 A 28 28 GLU HA H 28 4.238 4.271 -0.033 1
1 381 . 13 1 1 A 28 28 GLU C C 28 177.280 177.703 -0.423 1
1 382 . 13 1 1 A 28 28 GLU CA C 28 57.370 58.213 -0.843 1
1 383 . 13 1 1 A 28 28 GLU CB C 28 30.480 29.654 0.826 1
1 385 . 13 1 1 A 28 28 GLU N N 28 111.940 117.391 -5.451 1
1 386 . 13 1 1 A 29 29 LYS H H 29 7.577 7.983 -0.406 1
1 387 . 13 1 1 A 29 29 LYS HA H 29 4.414 4.560 -0.146 1
1 396 . 13 1 1 A 29 29 LYS C C 29 175.230 175.056 0.174 1
1 397 . 13 1 1 A 29 29 LYS CA C 29 53.800 54.964 -1.164 1
1 398 . 13 1 1 A 29 29 LYS CB C 29 33.530 32.721 0.809 1
1 402 . 13 1 1 A 29 29 LYS N N 29 115.460 117.770 -2.310 1
1 403 . 13 1 1 A 30 30 ILE H H 30 6.921 7.649 -0.728 1
1 404 . 13 1 1 A 30 30 ILE HA H 30 3.939 4.725 -0.786 1
1 414 . 13 1 1 A 30 30 ILE CA C 30 60.290 57.445 2.845 1
1 415 . 13 1 1 A 30 30 ILE CB C 30 39.967 40.942 -0.975 1
1 419 . 13 1 1 A 30 30 ILE N N 30 122.100 120.918 1.182 1
1 420 . 13 1 1 A 31 31 PRO HA H 31 4.840 4.865 -0.025 1
1 427 . 13 1 1 A 31 31 PRO C C 31 175.340 176.380 -1.040 1
1 428 . 13 1 1 A 31 31 PRO CA C 31 62.720 62.681 0.039 1
1 429 . 13 1 1 A 31 31 PRO CB C 31 36.350 33.188 3.162 1
1 432 . 13 1 1 A 32 32 PHE H H 32 7.627 8.682 -1.055 1
1 433 . 13 1 1 A 32 32 PHE HA H 32 4.959 5.026 -0.067 1
1 441 . 13 1 1 A 32 32 PHE C C 32 171.870 172.298 -0.428 1
1 442 . 13 1 1 A 32 32 PHE CA C 32 56.300 56.312 -0.012 1
1 443 . 13 1 1 A 32 32 PHE CB C 32 40.253 41.230 -0.977 1
1 447 . 13 1 1 A 32 32 PHE N N 32 112.880 117.099 -4.219 1
1 448 . 13 1 1 A 33 33 GLU H H 33 8.728 8.701 0.027 1
1 449 . 13 1 1 A 33 33 GLU HA H 33 5.309 5.188 0.121 1
1 454 . 13 1 1 A 33 33 GLU C C 33 175.630 175.077 0.553 1
1 455 . 13 1 1 A 33 33 GLU CA C 33 54.450 54.617 -0.167 1
1 456 . 13 1 1 A 33 33 GLU CB C 33 33.814 33.042 0.772 1
1 458 . 13 1 1 A 33 33 GLU N N 33 118.710 119.466 -0.756 1
1 459 . 13 1 1 A 34 34 SER H H 34 8.964 8.223 0.741 1
1 460 . 13 1 1 A 34 34 SER HA H 34 4.803 4.911 -0.108 1
1 463 . 13 1 1 A 34 34 SER C C 34 174.560 172.520 2.040 1
1 464 . 13 1 1 A 34 34 SER CA C 34 55.830 56.606 -0.776 1
1 465 . 13 1 1 A 34 34 SER CB C 34 64.270 66.008 -1.738 1
1 466 . 13 1 1 A 34 34 SER N N 34 115.150 115.042 0.108 1
1 467 . 13 1 1 A 35 35 VAL H H 35 8.322 8.671 -0.349 1
1 468 . 13 1 1 A 35 35 VAL HA H 35 4.724 4.471 0.253 1
1 476 . 13 1 1 A 35 35 VAL C C 35 174.950 174.905 0.045 1
1 477 . 13 1 1 A 35 35 VAL CA C 35 61.350 61.664 -0.314 1
1 478 . 13 1 1 A 35 35 VAL CB C 35 35.676 32.884 2.792 1
1 481 . 13 1 1 A 35 35 VAL N N 35 121.700 122.864 -1.164 1
1 482 . 13 1 1 A 36 36 VAL H H 36 9.200 9.043 0.157 1
1 483 . 13 1 1 A 36 36 VAL HA H 36 3.999 4.468 -0.469 1
1 491 . 13 1 1 A 36 36 VAL C C 36 175.490 175.410 0.080 1
1 492 . 13 1 1 A 36 36 VAL CA C 36 63.900 62.087 1.813 1
1 493 . 13 1 1 A 36 36 VAL CB C 36 33.593 30.770 2.823 1
1 496 . 13 1 1 A 36 36 VAL N N 36 123.870 128.753 -4.883 1
1 497 . 13 1 1 A 37 37 ASN H H 37 8.739 8.214 0.525 1
1 498 . 13 1 1 A 37 37 ASN HA H 37 5.276 4.662 0.614 1
1 503 . 13 1 1 A 37 37 ASN C C 37 174.040 175.297 -1.257 1
1 504 . 13 1 1 A 37 37 ASN CA C 37 51.960 53.742 -1.782 1
1 505 . 13 1 1 A 37 37 ASN CB C 37 41.996 38.228 3.768 1
1 506 . 13 1 1 A 37 37 ASN N N 37 123.895 124.831 -0.936 1
1 508 . 13 1 1 A 38 38 THR H H 38 8.703 8.854 -0.151 1
1 509 . 13 1 1 A 38 38 THR HA H 38 5.323 5.494 -0.171 1
1 514 . 13 1 1 A 38 38 THR C C 38 174.910 173.579 1.331 1
1 515 . 13 1 1 A 38 38 THR CA C 38 59.740 60.125 -0.385 1
1 516 . 13 1 1 A 38 38 THR CB C 38 71.332 71.521 -0.189 1
1 518 . 13 1 1 A 38 38 THR N N 38 111.440 111.921 -0.481 1
1 519 . 13 1 1 A 39 39 TRP H H 39 8.489 9.178 -0.689 1
1 520 . 13 1 1 A 39 39 TRP HA H 39 4.838 5.060 -0.222 1
1 529 . 13 1 1 A 39 39 TRP C C 39 175.270 175.863 -0.593 1
1 530 . 13 1 1 A 39 39 TRP CA C 39 57.040 56.595 0.445 1
1 531 . 13 1 1 A 39 39 TRP CB C 39 29.089 31.818 -2.729 1
1 537 . 13 1 1 A 39 39 TRP N N 39 125.321 126.951 -1.630 1
1 539 . 13 1 1 A 40 40 GLY H H 40 8.596 9.509 -0.913 1
1 540 . 13 1 1 A 40 40 GLY HA2 H 40 3.528 3.476 0.052 1
1 541 . 13 1 1 A 40 40 GLY HA3 H 40 3.465 3.654 -0.189 1
1 542 . 13 1 1 A 40 40 GLY CA C 40 47.619 46.865 0.754 1
1 543 . 13 1 1 A 40 40 GLY N N 40 113.220 115.726 -2.506 1
1 544 . 13 1 1 A 41 41 GLU H H 41 7.870 8.409 -0.539 1
1 545 . 13 1 1 A 41 41 GLU HA H 41 3.717 3.470 0.247 1
1 550 . 13 1 1 A 41 41 GLU C C 41 171.810 174.124 -2.314 1
1 551 . 13 1 1 A 41 41 GLU CA C 41 55.390 57.502 -2.112 1
1 552 . 13 1 1 A 41 41 GLU CB C 41 26.025 27.483 -1.458 1
1 554 . 13 1 1 A 41 41 GLU N N 41 128.227 110.162 18.065 1
1 555 . 13 1 1 A 42 42 GLU H H 42 7.158 7.621 -0.463 1
1 556 . 13 1 1 A 42 42 GLU HA H 42 4.811 4.751 0.060 1
1 561 . 13 1 1 A 42 42 GLU C C 42 175.680 174.459 1.221 1
1 562 . 13 1 1 A 42 42 GLU CA C 42 53.860 55.173 -1.313 1
1 563 . 13 1 1 A 42 42 GLU CB C 42 31.149 33.405 -2.256 1
1 565 . 13 1 1 A 42 42 GLU N N 42 116.880 117.887 -1.007 1
1 566 . 13 1 1 A 43 43 ILE H H 43 8.226 8.569 -0.343 1
1 567 . 13 1 1 A 43 43 ILE HA H 43 4.934 5.254 -0.320 1
1 577 . 13 1 1 A 43 43 ILE C C 43 174.420 173.992 0.428 1
1 578 . 13 1 1 A 43 43 ILE CA C 43 59.250 60.011 -0.761 1
1 579 . 13 1 1 A 43 43 ILE CB C 43 43.278 42.175 1.103 1
1 583 . 13 1 1 A 43 43 ILE N N 43 125.120 123.430 1.690 1
1 584 . 13 1 1 A 44 44 TYR H H 44 9.318 8.976 0.342 1
1 585 . 13 1 1 A 44 44 TYR HA H 44 6.008 5.550 0.458 1
1 592 . 13 1 1 A 44 44 TYR C C 44 174.150 173.179 0.971 1
1 593 . 13 1 1 A 44 44 TYR CA C 44 55.740 55.937 -0.197 1
1 594 . 13 1 1 A 44 44 TYR CB C 44 42.606 42.175 0.431 1
1 597 . 13 1 1 A 44 44 TYR N N 44 124.370 122.450 1.920 1
1 598 . 13 1 1 A 45 45 PHE H H 45 8.211 8.798 -0.587 1
1 599 . 13 1 1 A 45 45 PHE HA H 45 5.088 5.345 -0.257 1
1 607 . 13 1 1 A 45 45 PHE C C 45 173.730 173.412 0.318 1
1 608 . 13 1 1 A 45 45 PHE CA C 45 55.140 55.848 -0.708 1
1 609 . 13 1 1 A 45 45 PHE CB C 45 40.793 41.601 -0.808 1
1 613 . 13 1 1 A 45 45 PHE N N 45 114.110 117.084 -2.974 1
1 614 . 13 1 1 A 46 46 SER H H 46 9.523 8.250 1.273 1
1 615 . 13 1 1 A 46 46 SER HA H 46 4.316 5.150 -0.834 1
1 618 . 13 1 1 A 46 46 SER C C 46 174.360 174.045 0.315 1
1 619 . 13 1 1 A 46 46 SER CA C 46 59.960 57.443 2.517 1
1 620 . 13 1 1 A 46 46 SER CB C 46 63.980 63.104 0.876 1
1 621 . 13 1 1 A 46 46 SER N N 46 117.150 114.581 2.569 1
1 622 . 13 1 1 A 47 47 THR H H 47 8.225 8.226 -0.001 1
1 623 . 13 1 1 A 47 47 THR HA H 47 4.971 4.767 0.204 1
1 628 . 13 1 1 A 47 47 THR CA C 47 59.160 60.674 -1.514 1
1 629 . 13 1 1 A 47 47 THR CB C 47 70.385 68.868 1.517 1
1 631 . 13 1 1 A 47 47 THR N N 47 113.910 116.912 -3.002 1
1 632 . 13 1 1 A 48 48 PRO HA H 48 4.585 4.474 0.111 1
1 639 . 13 1 1 A 48 48 PRO C C 48 175.940 176.143 -0.203 1
1 640 . 13 1 1 A 48 48 PRO CA C 48 62.410 63.864 -1.454 1
1 641 . 13 1 1 A 48 48 PRO CB C 48 31.770 31.700 0.070 1
1 644 . 13 1 1 A 49 49 VAL H H 49 7.458 7.497 -0.039 1
1 645 . 13 1 1 A 49 49 VAL HA H 49 4.178 4.057 0.121 1
1 653 . 13 1 1 A 49 49 VAL C C 49 174.070 175.025 -0.955 1
1 654 . 13 1 1 A 49 49 VAL CA C 49 60.840 61.737 -0.897 1
1 655 . 13 1 1 A 49 49 VAL CB C 49 34.134 32.964 1.170 1
1 658 . 13 1 1 A 49 49 VAL N N 49 114.800 120.320 -5.520 1
1 659 . 13 1 1 A 50 50 ASN H H 50 8.897 8.658 0.239 1
1 660 . 13 1 1 A 50 50 ASN HA H 50 4.684 5.729 -1.045 1
1 665 . 13 1 1 A 50 50 ASN C C 50 173.550 173.979 -0.429 1
1 666 . 13 1 1 A 50 50 ASN CA C 50 51.610 52.025 -0.415 1
1 667 . 13 1 1 A 50 50 ASN CB C 50 39.730 41.856 -2.126 1
1 668 . 13 1 1 A 50 50 ASN N N 50 126.400 125.425 0.975 1
1 670 . 13 1 1 A 51 51 VAL H H 51 7.587 8.769 -1.182 1
1 671 . 13 1 1 A 51 51 VAL HA H 51 4.148 4.695 -0.547 1
1 679 . 13 1 1 A 51 51 VAL C C 51 174.350 174.376 -0.026 1
1 680 . 13 1 1 A 51 51 VAL CA C 51 61.280 59.966 1.314 1
1 681 . 13 1 1 A 51 51 VAL CB C 51 35.206 35.149 0.057 1
1 684 . 13 1 1 A 51 51 VAL N N 51 122.670 121.137 1.533 1
1 685 . 13 1 1 A 52 52 GLN H H 52 8.337 8.813 -0.476 1
1 686 . 13 1 1 A 52 52 GLN HA H 52 4.094 4.642 -0.548 1
1 693 . 13 1 1 A 52 52 GLN C C 52 176.240 174.577 1.663 1
1 694 . 13 1 1 A 52 52 GLN CA C 52 56.560 55.541 1.019 1
1 695 . 13 1 1 A 52 52 GLN CB C 52 29.745 29.844 -0.099 1
1 697 . 13 1 1 A 52 52 GLN N N 52 122.670 124.663 -1.993 1
1 699 . 13 1 1 A 53 53 LYS H H 53 7.363 7.566 -0.203 1
1 700 . 13 1 1 A 53 53 LYS HA H 53 3.994 4.966 -0.972 1
1 709 . 13 1 1 A 53 53 LYS C C 53 176.010 175.028 0.982 1
1 710 . 13 1 1 A 53 53 LYS CA C 53 56.960 54.792 2.168 1
1 711 . 13 1 1 A 53 53 LYS CB C 53 33.000 35.632 -2.632 1
1 715 . 13 1 1 A 53 53 LYS N N 53 119.940 121.759 -1.819 1
1 716 . 13 1 1 A 54 54 MET H H 54 8.797 8.716 0.081 1
1 717 . 13 1 1 A 54 54 MET HA H 54 4.449 5.112 -0.663 1
1 725 . 13 1 1 A 54 54 MET C C 54 174.630 175.142 -0.512 1
1 726 . 13 1 1 A 54 54 MET CA C 54 54.530 53.453 1.077 1
1 727 . 13 1 1 A 54 54 MET CB C 54 36.912 35.782 1.130 1
1 730 . 13 1 1 A 54 54 MET N N 54 124.720 122.989 1.731 1
1 731 . 13 1 1 A 55 55 GLU H H 55 9.773 8.791 0.982 1
1 732 . 13 1 1 A 55 55 GLU HA H 55 4.029 4.665 -0.636 1
1 737 . 13 1 1 A 55 55 GLU C C 55 176.930 177.072 -0.142 1
1 738 . 13 1 1 A 55 55 GLU CA C 55 59.910 57.510 2.400 1
1 739 . 13 1 1 A 55 55 GLU CB C 55 29.611 31.938 -2.327 1
1 741 . 13 1 1 A 55 55 GLU N N 55 124.250 119.094 5.156 1
1 742 . 13 1 1 A 56 56 ASN H H 56 8.371 7.888 0.483 1
1 743 . 13 1 1 A 56 56 ASN HA H 56 5.163 5.099 0.064 1
1 748 . 13 1 1 A 56 56 ASN CA C 56 50.680 50.206 0.474 1
1 749 . 13 1 1 A 56 56 ASN CB C 56 39.563 38.768 0.795 1
1 750 . 13 1 1 A 56 56 ASN N N 56 115.600 117.882 -2.282 1
1 752 . 13 1 1 A 57 57 PRO HA H 57 4.854 4.956 -0.102 1
1 759 . 13 1 1 A 57 57 PRO C C 57 178.760 176.391 2.369 1
1 760 . 13 1 1 A 57 57 PRO CA C 57 62.630 62.804 -0.174 1
1 761 . 13 1 1 A 57 57 PRO CB C 57 32.197 33.009 -0.812 1
1 764 . 13 1 1 A 58 58 ARG H H 58 9.448 8.525 0.923 1
1 765 . 13 1 1 A 58 58 ARG HA H 58 4.636 5.061 -0.425 1
1 773 . 13 1 1 A 58 58 ARG C C 58 175.430 175.264 0.166 1
1 774 . 13 1 1 A 58 58 ARG CA C 58 54.210 54.153 0.057 1
1 775 . 13 1 1 A 58 58 ARG CB C 58 34.208 34.347 -0.139 1
1 778 . 13 1 1 A 58 58 ARG N N 58 122.690 117.737 4.953 1
1 780 . 13 1 1 A 59 59 GLU H H 59 8.694 8.835 -0.141 1
1 781 . 13 1 1 A 59 59 GLU HA H 59 4.096 4.600 -0.504 1
1 786 . 13 1 1 A 59 59 GLU C C 59 175.210 175.742 -0.532 1
1 787 . 13 1 1 A 59 59 GLU CA C 59 56.470 56.447 0.023 1
1 788 . 13 1 1 A 59 59 GLU CB C 59 31.074 30.409 0.665 1
1 790 . 13 1 1 A 59 59 GLU N N 59 119.520 118.072 1.448 1
1 791 . 13 1 1 A 60 60 VAL H H 60 7.296 7.428 -0.132 1
1 792 . 13 1 1 A 60 60 VAL HA H 60 4.471 4.528 -0.057 1
1 800 . 13 1 1 A 60 60 VAL C C 60 174.900 173.573 1.327 1
1 801 . 13 1 1 A 60 60 VAL CA C 60 61.058 60.412 0.646 1
1 802 . 13 1 1 A 60 60 VAL CB C 60 35.056 34.548 0.508 1
1 805 . 13 1 1 A 60 60 VAL N N 60 117.380 117.479 -0.099 1
1 806 . 13 1 1 A 61 61 VAL H H 61 8.064 8.642 -0.578 1
1 807 . 13 1 1 A 61 61 VAL HA H 61 4.540 4.886 -0.346 1
1 815 . 13 1 1 A 61 61 VAL C C 61 172.880 174.744 -1.864 1
1 816 . 13 1 1 A 61 61 VAL CA C 61 58.820 59.014 -0.194 1
1 817 . 13 1 1 A 61 61 VAL CB C 61 33.464 36.212 -2.748 1
1 820 . 13 1 1 A 61 61 VAL N N 61 117.630 120.140 -2.510 1
1 821 . 13 1 1 A 62 62 GLU H H 62 8.620 8.707 -0.087 1
1 822 . 13 1 1 A 62 62 GLU HA H 62 4.543 4.519 0.024 1
1 827 . 13 1 1 A 62 62 GLU C C 62 176.350 178.382 -2.032 1
1 828 . 13 1 1 A 62 62 GLU CA C 62 53.640 55.430 -1.790 1
1 829 . 13 1 1 A 62 62 GLU CB C 62 32.360 30.819 1.541 1
1 831 . 13 1 1 A 62 62 GLU N N 62 118.060 120.450 -2.390 1
1 832 . 13 1 1 A 63 63 ILE H H 63 8.520 8.577 -0.057 1
1 833 . 13 1 1 A 63 63 ILE HA H 63 3.275 3.926 -0.651 1
1 843 . 13 1 1 A 63 63 ILE C C 63 177.940 176.709 1.231 1
1 844 . 13 1 1 A 63 63 ILE CA C 63 64.410 64.696 -0.286 1
1 845 . 13 1 1 A 63 63 ILE CB C 63 37.674 37.595 0.079 1
1 849 . 13 1 1 A 63 63 ILE N N 63 120.310 121.855 -1.545 1
1 850 . 13 1 1 A 64 64 GLY H H 64 9.091 7.909 1.182 1
1 851 . 13 1 1 A 64 64 GLY HA2 H 64 3.563 4.162 -0.599 1
1 852 . 13 1 1 A 64 64 GLY HA3 H 64 4.774 4.207 0.567 1
1 853 . 13 1 1 A 64 64 GLY C C 64 173.290 172.800 0.490 1
1 854 . 13 1 1 A 64 64 GLY CA C 64 45.359 45.906 -0.547 1
1 855 . 13 1 1 A 64 64 GLY N N 64 116.340 109.768 6.572 1
1 856 . 13 1 1 A 65 65 ASP H H 65 8.335 8.000 0.335 1
1 857 . 13 1 1 A 65 65 ASP HA H 65 4.914 5.253 -0.339 1
1 860 . 13 1 1 A 65 65 ASP C C 65 175.180 175.344 -0.164 1
1 861 . 13 1 1 A 65 65 ASP CA C 65 56.630 52.890 3.740 1
1 862 . 13 1 1 A 65 65 ASP CB C 65 41.980 44.237 -2.257 1
1 863 . 13 1 1 A 65 65 ASP N N 65 121.610 118.498 3.112 1
1 864 . 13 1 1 A 66 66 VAL H H 66 7.580 8.502 -0.922 1
1 865 . 13 1 1 A 66 66 VAL HA H 66 5.085 5.048 0.037 1
1 873 . 13 1 1 A 66 66 VAL C C 66 176.170 174.763 1.407 1
1 874 . 13 1 1 A 66 66 VAL CA C 66 60.240 60.797 -0.557 1
1 875 . 13 1 1 A 66 66 VAL CB C 66 33.783 35.990 -2.207 1
1 878 . 13 1 1 A 66 66 VAL N N 66 117.330 120.643 -3.313 1
1 879 . 13 1 1 A 67 67 GLY H H 67 9.592 8.485 1.107 1
1 880 . 13 1 1 A 67 67 GLY HA2 H 67 5.899 4.487 1.412 1
1 881 . 13 1 1 A 67 67 GLY HA3 H 67 3.200 4.537 -1.337 1
1 882 . 13 1 1 A 67 67 GLY C C 67 171.740 171.850 -0.110 1
1 883 . 13 1 1 A 67 67 GLY CA C 67 43.580 44.215 -0.635 1
1 884 . 13 1 1 A 67 67 GLY N N 67 111.440 114.621 -3.181 1
1 885 . 13 1 1 A 68 68 TYR H H 68 9.146 8.559 0.587 1
1 886 . 13 1 1 A 68 68 TYR HA H 68 5.809 5.204 0.605 1
1 889 . 13 1 1 A 68 68 TYR C C 68 173.860 173.695 0.165 1
1 890 . 13 1 1 A 68 68 TYR CA C 68 55.900 56.456 -0.556 1
1 891 . 13 1 1 A 68 68 TYR CB C 68 42.170 42.152 0.018 1
1 892 . 13 1 1 A 68 68 TYR N N 68 119.980 121.687 -1.707 1
1 893 . 13 1 1 A 69 69 TRP H H 69 9.213 8.563 0.650 1
1 894 . 13 1 1 A 69 69 TRP HA H 69 5.268 5.034 0.234 1
1 902 . 13 1 1 A 69 69 TRP CA C 69 53.390 55.179 -1.789 1
1 903 . 13 1 1 A 69 69 TRP CB C 69 30.442 30.582 -0.140 1
1 908 . 13 1 1 A 69 69 TRP N N 69 132.150 129.203 2.947 1
1 910 . 13 1 1 A 70 70 PRO HA H 70 3.923 4.330 -0.407 1
1 917 . 13 1 1 A 70 70 PRO CA C 70 66.753 64.631 2.122 1
1 918 . 13 1 1 A 70 70 PRO CB C 70 30.054 31.990 -1.936 1
1 921 . 13 1 1 A 71 71 PRO HA H 71 3.716 4.080 -0.364 1
1 928 . 13 1 1 A 71 71 PRO CA C 71 65.803 64.651 1.152 1
1 929 . 13 1 1 A 71 71 PRO CB C 71 30.620 30.638 -0.018 1
1 932 . 13 1 1 A 72 72 GLY HA2 H 72 3.168 3.731 -0.563 1
1 933 . 13 1 1 A 72 72 GLY HA3 H 72 4.271 3.812 0.459 1
1 934 . 13 1 1 A 72 72 GLY C C 72 173.220 173.352 -0.132 1
1 935 . 13 1 1 A 72 72 GLY CA C 72 44.350 44.869 -0.519 1
1 936 . 13 1 1 A 73 73 LYS H H 73 7.989 7.635 0.354 1
1 937 . 13 1 1 A 73 73 LYS HA H 73 3.566 3.672 -0.106 1
1 946 . 13 1 1 A 73 73 LYS C C 73 177.420 174.908 2.512 1
1 947 . 13 1 1 A 73 73 LYS CA C 73 57.790 57.009 0.781 1
1 948 . 13 1 1 A 73 73 LYS CB C 73 29.398 30.085 -0.687 1
1 952 . 13 1 1 A 73 73 LYS N N 73 121.515 115.392 6.123 1
1 953 . 13 1 1 A 74 74 ALA H H 74 6.969 7.071 -0.102 1
1 954 . 13 1 1 A 74 74 ALA HA H 74 5.123 5.196 -0.073 1
1 958 . 13 1 1 A 74 74 ALA C C 74 177.490 174.368 3.122 1
1 959 . 13 1 1 A 74 74 ALA CA C 74 51.900 50.778 1.122 1
1 960 . 13 1 1 A 74 74 ALA CB C 74 23.090 23.917 -0.827 1
1 961 . 13 1 1 A 74 74 ALA N N 74 118.780 118.711 0.069 1
1 962 . 13 1 1 A 75 75 LEU H H 75 8.032 8.050 -0.018 1
1 963 . 13 1 1 A 75 75 LEU HA H 75 4.844 4.970 -0.126 1
1 973 . 13 1 1 A 75 75 LEU C C 75 175.540 174.854 0.686 1
1 974 . 13 1 1 A 75 75 LEU CA C 75 54.000 53.194 0.806 1
1 975 . 13 1 1 A 75 75 LEU CB C 75 43.858 45.444 -1.586 1
1 979 . 13 1 1 A 75 75 LEU N N 75 122.780 120.731 2.049 1
1 980 . 13 1 1 A 76 76 CYS H H 76 8.813 8.696 0.117 1
1 981 . 13 1 1 A 76 76 CYS HA H 76 5.178 5.346 -0.168 1
1 984 . 13 1 1 A 76 76 CYS C C 76 173.080 173.075 0.005 1
1 985 . 13 1 1 A 76 76 CYS CA C 76 55.850 56.831 -0.981 1
1 986 . 13 1 1 A 76 76 CYS CB C 76 31.922 30.952 0.970 1
1 987 . 13 1 1 A 76 76 CYS N N 76 117.950 121.761 -3.811 1
1 988 . 13 1 1 A 77 77 LEU H H 77 9.621 8.706 0.915 1
1 989 . 13 1 1 A 77 77 LEU HA H 77 4.741 4.780 -0.039 1
1 999 . 13 1 1 A 77 77 LEU C C 77 175.040 175.727 -0.687 1
1 1000 . 13 1 1 A 77 77 LEU CA C 77 53.510 53.124 0.386 1
1 1001 . 13 1 1 A 77 77 LEU CB C 77 44.058 43.355 0.703 1
1 1005 . 13 1 1 A 77 77 LEU N N 77 123.140 124.401 -1.261 1
1 1006 . 13 1 1 A 78 78 PHE H H 78 7.930 8.396 -0.466 1
1 1007 . 13 1 1 A 78 78 PHE HA H 78 4.809 4.827 -0.018 1
1 1015 . 13 1 1 A 78 78 PHE C C 78 174.830 176.520 -1.690 1
1 1016 . 13 1 1 A 78 78 PHE CA C 78 58.140 57.425 0.715 1
1 1017 . 13 1 1 A 78 78 PHE CB C 78 39.603 41.134 -1.531 1
1 1021 . 13 1 1 A 78 78 PHE N N 78 120.120 124.469 -4.349 1
1 1022 . 13 1 1 A 79 79 PHE H H 79 8.038 8.140 -0.102 1
1 1023 . 13 1 1 A 79 79 PHE HA H 79 5.029 5.191 -0.162 1
1 1031 . 13 1 1 A 79 79 PHE C C 79 172.070 175.337 -3.267 1
1 1032 . 13 1 1 A 79 79 PHE CA C 79 55.630 56.757 -1.127 1
1 1033 . 13 1 1 A 79 79 PHE CB C 79 39.003 41.158 -2.155 1
1 1037 . 13 1 1 A 79 79 PHE N N 79 119.040 117.804 1.236 1
1 1038 . 13 1 1 A 80 80 GLY H H 80 7.489 6.992 0.497 1
1 1039 . 13 1 1 A 80 80 GLY HA2 H 80 3.653 3.959 -0.306 1
1 1040 . 13 1 1 A 80 80 GLY HA3 H 80 4.283 4.033 0.250 1
1 1041 . 13 1 1 A 80 80 GLY C C 80 170.830 172.114 -1.284 1
1 1042 . 13 1 1 A 80 80 GLY CA C 80 45.342 45.544 -0.202 1
1 1043 . 13 1 1 A 80 80 GLY N N 80 110.010 108.532 1.478 1
1 1044 . 13 1 1 A 81 81 LYS H H 81 8.186 8.235 -0.049 1
1 1045 . 13 1 1 A 81 81 LYS HA H 81 4.003 4.362 -0.359 1
1 1054 . 13 1 1 A 81 81 LYS C C 81 177.530 176.071 1.459 1
1 1055 . 13 1 1 A 81 81 LYS CA C 81 57.730 56.042 1.688 1
1 1056 . 13 1 1 A 81 81 LYS CB C 81 33.293 32.853 0.440 1
1 1060 . 13 1 1 A 81 81 LYS N N 81 117.260 121.295 -4.035 1
1 1061 . 13 1 1 A 82 82 THR H H 82 8.076 8.613 -0.537 1
1 1062 . 13 1 1 A 82 82 THR HA H 82 4.423 4.893 -0.470 1
1 1067 . 13 1 1 A 82 82 THR CA C 82 59.230 60.243 -1.013 1
1 1068 . 13 1 1 A 82 82 THR CB C 82 68.310 68.686 -0.376 1
1 1070 . 13 1 1 A 82 82 THR N N 82 113.611 117.602 -3.991 1
1 1071 . 13 1 1 A 83 83 PRO HA H 83 4.090 4.293 -0.203 1
1 1078 . 13 1 1 A 83 83 PRO CA C 83 63.743 63.671 0.072 1
1 1079 . 13 1 1 A 83 83 PRO CB C 83 32.167 31.553 0.614 1
1 1082 . 13 1 1 A 84 84 MET HA H 84 4.220 4.762 -0.542 1
1 1090 . 13 1 1 A 84 84 MET C C 84 175.920 174.333 1.587 1
1 1091 . 13 1 1 A 84 84 MET CA C 84 55.880 54.310 1.570 1
1 1092 . 13 1 1 A 84 84 MET CB C 84 33.070 32.547 0.523 1
1 1095 . 13 1 1 A 85 85 SER H H 85 7.256 8.467 -1.211 1
1 1096 . 13 1 1 A 85 85 SER HA H 85 4.401 4.811 -0.410 1
1 1099 . 13 1 1 A 85 85 SER C C 85 173.380 172.392 0.988 1
1 1100 . 13 1 1 A 85 85 SER CA C 85 58.230 57.679 0.551 1
1 1101 . 13 1 1 A 85 85 SER CB C 85 64.290 66.229 -1.939 1
1 1102 . 13 1 1 A 85 85 SER N N 85 111.370 118.879 -7.509 1
1 1103 . 13 1 1 A 86 86 ASP H H 86 8.517 8.732 -0.215 1
1 1104 . 13 1 1 A 86 86 ASP HA H 86 4.692 4.588 0.104 1
1 1107 . 13 1 1 A 86 86 ASP C C 86 175.860 176.840 -0.980 1
1 1108 . 13 1 1 A 86 86 ASP CA C 86 54.150 55.938 -1.788 1
1 1109 . 13 1 1 A 86 86 ASP CB C 86 41.360 41.895 -0.535 1
1 1110 . 13 1 1 A 86 86 ASP N N 86 123.320 120.529 2.791 1
1 1111 . 13 1 1 A 87 87 ASP H H 87 8.412 8.230 0.182 1
1 1112 . 13 1 1 A 87 87 ASP HA H 87 4.529 4.464 0.065 1
1 1115 . 13 1 1 A 87 87 ASP C C 87 175.270 176.018 -0.748 1
1 1116 . 13 1 1 A 87 87 ASP CA C 87 54.870 56.170 -1.300 1
1 1117 . 13 1 1 A 87 87 ASP CB C 87 41.580 41.837 -0.257 1
1 1118 . 13 1 1 A 87 87 ASP N N 87 118.900 119.520 -0.620 1
1 1119 . 13 1 1 A 88 88 LYS H H 88 7.869 7.674 0.195 1
1 1120 . 13 1 1 A 88 88 LYS HA H 88 4.372 4.786 -0.414 1
1 1129 . 13 1 1 A 88 88 LYS C C 88 174.870 175.092 -0.222 1
1 1130 . 13 1 1 A 88 88 LYS CA C 88 54.580 54.781 -0.201 1
1 1131 . 13 1 1 A 88 88 LYS CB C 88 34.047 35.564 -1.517 1
1 1135 . 13 1 1 A 88 88 LYS N N 88 118.310 113.581 4.729 1
1 1136 . 13 1 1 A 89 89 ILE H H 89 8.604 8.798 -0.194 1
1 1137 . 13 1 1 A 89 89 ILE HA H 89 3.873 4.199 -0.326 1
1 1147 . 13 1 1 A 89 89 ILE C C 89 174.480 175.186 -0.706 1
1 1148 . 13 1 1 A 89 89 ILE CA C 89 61.890 61.108 0.782 1
1 1149 . 13 1 1 A 89 89 ILE CB C 89 36.398 36.556 -0.158 1
1 1153 . 13 1 1 A 89 89 ILE N N 89 121.510 123.584 -2.074 1
1 1154 . 13 1 1 A 90 90 GLN H H 90 8.015 8.418 -0.403 1
1 1155 . 13 1 1 A 90 90 GLN HA H 90 5.033 4.654 0.379 1
1 1162 . 13 1 1 A 90 90 GLN CA C 90 52.110 53.890 -1.780 1
1 1163 . 13 1 1 A 90 90 GLN CB C 90 32.045 28.188 3.857 1
1 1165 . 13 1 1 A 90 90 GLN N N 90 126.430 126.072 0.358 1
1 1167 . 13 1 1 A 91 91 PRO HA H 91 4.508 4.590 -0.082 1
1 1174 . 13 1 1 A 91 91 PRO C C 91 175.210 177.040 -1.830 1
1 1175 . 13 1 1 A 91 91 PRO CA C 91 61.680 62.601 -0.921 1
1 1176 . 13 1 1 A 91 91 PRO CB C 91 32.854 33.085 -0.231 1
1 1179 . 13 1 1 A 92 92 ALA H H 92 8.014 8.430 -0.416 1
1 1180 . 13 1 1 A 92 92 ALA HA H 92 3.931 4.238 -0.307 1
1 1184 . 13 1 1 A 92 92 ALA CA C 92 55.270 54.514 0.756 1
1 1185 . 13 1 1 A 92 92 ALA CB C 92 18.838 19.282 -0.444 1
1 1186 . 13 1 1 A 92 92 ALA N N 92 121.420 122.258 -0.838 1
1 1187 . 13 1 1 A 93 93 SER H H 93 7.391 7.709 -0.318 1
1 1188 . 13 1 1 A 93 93 SER HA H 93 4.223 4.906 -0.683 1
1 1191 . 13 1 1 A 93 93 SER C C 93 171.670 172.580 -0.910 1
1 1192 . 13 1 1 A 93 93 SER CA C 93 57.240 57.941 -0.701 1
1 1193 . 13 1 1 A 93 93 SER CB C 93 63.620 67.860 -4.240 1
1 1194 . 13 1 1 A 93 93 SER N N 93 105.210 112.180 -6.970 1
1 1195 . 13 1 1 A 94 94 ALA H H 94 8.276 8.465 -0.189 1
1 1196 . 13 1 1 A 94 94 ALA HA H 94 4.113 4.696 -0.583 1
1 1200 . 13 1 1 A 94 94 ALA C C 94 177.150 176.868 0.282 1
1 1201 . 13 1 1 A 94 94 ALA CA C 94 53.810 51.971 1.839 1
1 1202 . 13 1 1 A 94 94 ALA CB C 94 19.219 17.531 1.688 1
1 1203 . 13 1 1 A 94 94 ALA N N 94 117.972 125.201 -7.229 1
1 1204 . 13 1 1 A 95 95 VAL H H 95 7.886 8.280 -0.394 1
1 1205 . 13 1 1 A 95 95 VAL HA H 95 5.037 4.397 0.640 1
1 1213 . 13 1 1 A 95 95 VAL C C 95 174.060 175.931 -1.871 1
1 1214 . 13 1 1 A 95 95 VAL CA C 95 57.510 61.320 -3.810 1
1 1215 . 13 1 1 A 95 95 VAL CB C 95 35.106 33.296 1.810 1
1 1218 . 13 1 1 A 95 95 VAL N N 95 108.410 118.153 -9.743 1
1 1219 . 13 1 1 A 96 96 ASN H H 96 9.178 8.637 0.541 1
1 1220 . 13 1 1 A 96 96 ASN HA H 96 4.897 5.097 -0.200 1
1 1225 . 13 1 1 A 96 96 ASN C C 96 176.600 175.011 1.589 1
1 1226 . 13 1 1 A 96 96 ASN CA C 96 50.790 52.468 -1.678 1
1 1227 . 13 1 1 A 96 96 ASN CB C 96 39.637 39.500 0.137 1
1 1228 . 13 1 1 A 96 96 ASN N N 96 121.250 119.621 1.629 1
1 1230 . 13 1 1 A 97 97 VAL H H 97 8.503 8.671 -0.168 1
1 1231 . 13 1 1 A 97 97 VAL HA H 97 4.421 4.172 0.249 1
1 1239 . 13 1 1 A 97 97 VAL C C 97 176.450 176.644 -0.194 1
1 1240 . 13 1 1 A 97 97 VAL CA C 97 66.030 62.901 3.129 1
1 1241 . 13 1 1 A 97 97 VAL CB C 97 30.552 31.057 -0.505 1
1 1244 . 13 1 1 A 97 97 VAL N N 97 129.670 122.122 7.548 1
1 1245 . 13 1 1 A 98 98 ILE H H 98 8.129 8.388 -0.259 1
1 1246 . 13 1 1 A 98 98 ILE HA H 98 4.628 4.592 0.036 1
1 1256 . 13 1 1 A 98 98 ILE C C 98 174.270 176.103 -1.833 1
1 1257 . 13 1 1 A 98 98 ILE CA C 98 61.240 60.599 0.641 1
1 1258 . 13 1 1 A 98 98 ILE CB C 98 39.812 39.803 0.009 1
1 1262 . 13 1 1 A 98 98 ILE N N 98 119.500 121.008 -1.508 1
1 1263 . 13 1 1 A 99 99 GLY H H 99 7.668 7.471 0.197 1
1 1264 . 13 1 1 A 99 99 GLY HA2 H 99 4.435 4.106 0.329 1
1 1265 . 13 1 1 A 99 99 GLY HA3 H 99 4.637 4.115 0.522 1
1 1266 . 13 1 1 A 99 99 GLY C C 99 172.410 172.381 0.029 1
1 1267 . 13 1 1 A 99 99 GLY CA C 99 46.906 44.786 2.120 1
1 1268 . 13 1 1 A 99 99 GLY N N 99 107.230 110.478 -3.248 1
1 1269 . 13 1 1 A 100 100 LYS H H 100 8.347 8.756 -0.409 1
1 1270 . 13 1 1 A 100 100 LYS HA H 100 5.540 5.055 0.485 1
1 1279 . 13 1 1 A 100 100 LYS C C 100 175.740 174.755 0.985 1
1 1280 . 13 1 1 A 100 100 LYS CA C 100 54.150 55.035 -0.885 1
1 1281 . 13 1 1 A 100 100 LYS CB C 100 37.900 36.392 1.508 1
1 1285 . 13 1 1 A 100 100 LYS N N 100 119.730 120.451 -0.721 1
1 1286 . 13 1 1 A 101 101 ILE H H 101 9.542 9.144 0.398 1
1 1287 . 13 1 1 A 101 101 ILE HA H 101 4.184 4.204 -0.020 1
1 1297 . 13 1 1 A 101 101 ILE C C 101 176.010 177.153 -1.143 1
1 1298 . 13 1 1 A 101 101 ILE CA C 101 62.940 61.638 1.302 1
1 1299 . 13 1 1 A 101 101 ILE CB C 101 39.212 37.075 2.137 1
1 1303 . 13 1 1 A 101 101 ILE N N 101 124.050 127.538 -3.488 1
1 1304 . 13 1 1 A 102 102 VAL H H 102 8.728 7.935 0.793 1
1 1305 . 13 1 1 A 102 102 VAL HA H 102 4.591 4.107 0.484 1
1 1313 . 13 1 1 A 102 102 VAL C C 102 175.730 175.929 -0.199 1
1 1314 . 13 1 1 A 102 102 VAL CA C 102 62.030 63.999 -1.969 1
1 1315 . 13 1 1 A 102 102 VAL CB C 102 33.307 32.176 1.131 1
1 1318 . 13 1 1 A 102 102 VAL N N 102 121.420 125.675 -4.255 1
1 1319 . 13 1 1 A 103 103 GLU H H 103 7.912 7.910 0.002 1
1 1320 . 13 1 1 A 103 103 GLU HA H 103 4.661 4.565 0.096 1
1 1325 . 13 1 1 A 103 103 GLU C C 103 176.520 176.103 0.417 1
1 1326 . 13 1 1 A 103 103 GLU CA C 103 56.550 55.353 1.197 1
1 1327 . 13 1 1 A 103 103 GLU CB C 103 34.180 33.369 0.811 1
1 1329 . 13 1 1 A 103 103 GLU N N 103 120.750 119.920 0.830 1
1 1330 . 13 1 1 A 104 104 GLY H H 104 8.934 8.769 0.165 1
1 1331 . 13 1 1 A 104 104 GLY HA2 H 104 3.932 3.951 -0.019 1
1 1332 . 13 1 1 A 104 104 GLY HA3 H 104 4.345 3.972 0.373 1
1 1333 . 13 1 1 A 104 104 GLY C C 104 175.230 174.539 0.691 1
1 1334 . 13 1 1 A 104 104 GLY CA C 104 46.616 46.834 -0.218 1
1 1335 . 13 1 1 A 104 104 GLY N N 104 111.140 111.839 -0.699 1
1 1336 . 13 1 1 A 105 105 LEU H H 105 8.158 7.964 0.194 1
1 1337 . 13 1 1 A 105 105 LEU HA H 105 3.702 4.370 -0.668 1
1 1347 . 13 1 1 A 105 105 LEU C C 105 179.250 178.517 0.733 1
1 1348 . 13 1 1 A 105 105 LEU CA C 105 59.400 57.167 2.233 1
1 1349 . 13 1 1 A 105 105 LEU CB C 105 42.743 42.974 -0.231 1
1 1353 . 13 1 1 A 105 105 LEU N N 105 121.390 121.001 0.389 1
1 1354 . 13 1 1 A 106 106 GLU H H 106 8.944 8.382 0.562 1
1 1355 . 13 1 1 A 106 106 GLU HA H 106 3.978 4.034 -0.056 1
1 1360 . 13 1 1 A 106 106 GLU C C 106 178.120 178.157 -0.037 1
1 1361 . 13 1 1 A 106 106 GLU CA C 106 58.720 59.649 -0.929 1
1 1362 . 13 1 1 A 106 106 GLU CB C 106 28.920 29.014 -0.094 1
1 1364 . 13 1 1 A 106 106 GLU N N 106 113.860 118.388 -4.528 1
1 1365 . 13 1 1 A 107 107 ASP H H 107 7.538 7.998 -0.460 1
1 1366 . 13 1 1 A 107 107 ASP HA H 107 4.344 4.441 -0.097 1
1 1369 . 13 1 1 A 107 107 ASP C C 107 178.190 177.132 1.058 1
1 1370 . 13 1 1 A 107 107 ASP CA C 107 55.780 56.138 -0.358 1
1 1371 . 13 1 1 A 107 107 ASP CB C 107 41.191 40.366 0.825 1
1 1372 . 13 1 1 A 107 107 ASP N N 107 119.620 119.205 0.415 1
1 1373 . 13 1 1 A 108 108 LEU H H 108 7.115 7.439 -0.324 1
1 1374 . 13 1 1 A 108 108 LEU HA H 108 3.357 3.607 -0.250 1
1 1384 . 13 1 1 A 108 108 LEU C C 108 177.920 177.633 0.287 1
1 1385 . 13 1 1 A 108 108 LEU CA C 108 57.000 56.163 0.837 1
1 1386 . 13 1 1 A 108 108 LEU CB C 108 38.445 40.594 -2.149 1
1 1390 . 13 1 1 A 108 108 LEU N N 108 117.551 117.755 -0.204 1
1 1391 . 13 1 1 A 109 109 LYS H H 109 7.179 7.640 -0.461 1
1 1392 . 13 1 1 A 109 109 LYS HA H 109 3.879 4.287 -0.408 1
1 1401 . 13 1 1 A 109 109 LYS C C 109 176.650 177.711 -1.061 1
1 1402 . 13 1 1 A 109 109 LYS CA C 109 57.792 57.724 0.068 1
1 1403 . 13 1 1 A 109 109 LYS CB C 109 32.184 31.944 0.240 1
1 1407 . 13 1 1 A 109 109 LYS N N 109 115.080 118.005 -2.925 1
1 1408 . 13 1 1 A 110 110 LYS H H 110 7.364 7.738 -0.374 1
1 1409 . 13 1 1 A 110 110 LYS HA H 110 4.016 4.477 -0.461 1
1 1418 . 13 1 1 A 110 110 LYS C C 110 175.890 175.414 0.476 1
1 1419 . 13 1 1 A 110 110 LYS CA C 110 56.550 55.987 0.563 1
1 1420 . 13 1 1 A 110 110 LYS CB C 110 32.972 33.616 -0.644 1
1 1424 . 13 1 1 A 110 110 LYS N N 110 116.720 113.847 2.873 1
1 1425 . 13 1 1 A 111 111 ILE H H 111 6.626 6.920 -0.294 1
1 1426 . 13 1 1 A 111 111 ILE HA H 111 3.531 3.917 -0.386 1
1 1436 . 13 1 1 A 111 111 ILE C C 111 176.180 175.509 0.671 1
1 1437 . 13 1 1 A 111 111 ILE CA C 111 59.950 60.789 -0.839 1
1 1438 . 13 1 1 A 111 111 ILE CB C 111 34.946 38.065 -3.119 1
1 1442 . 13 1 1 A 111 111 ILE N N 111 117.000 121.889 -4.889 1
1 1443 . 13 1 1 A 112 112 LYS H H 112 8.388 8.467 -0.079 1
1 1444 . 13 1 1 A 112 112 LYS HA H 112 4.356 4.740 -0.384 1
1 1453 . 13 1 1 A 112 112 LYS C C 112 175.750 177.273 -1.523 1
1 1454 . 13 1 1 A 112 112 LYS CA C 112 54.430 54.526 -0.096 1
1 1455 . 13 1 1 A 112 112 LYS CB C 112 33.936 35.014 -1.078 1
1 1459 . 13 1 1 A 112 112 LYS N N 112 128.240 123.760 4.480 1
1 1460 . 13 1 1 A 113 113 ASP H H 113 8.103 8.899 -0.796 1
1 1461 . 13 1 1 A 113 113 ASP HA H 113 4.026 4.868 -0.842 1
1 1464 . 13 1 1 A 113 113 ASP C C 113 177.630 176.525 1.105 1
1 1465 . 13 1 1 A 113 113 ASP CA C 113 56.660 54.095 2.565 1
1 1466 . 13 1 1 A 113 113 ASP CB C 113 42.033 41.570 0.463 1
1 1467 . 13 1 1 A 113 113 ASP N N 113 119.040 122.316 -3.276 1
1 1468 . 13 1 1 A 114 114 GLY H H 114 8.635 7.463 1.172 1
1 1469 . 13 1 1 A 114 114 GLY HA2 H 114 3.547 4.054 -0.507 1
1 1470 . 13 1 1 A 114 114 GLY HA3 H 114 4.229 4.055 0.174 1
1 1471 . 13 1 1 A 114 114 GLY C C 114 174.640 173.787 0.853 1
1 1472 . 13 1 1 A 114 114 GLY CA C 114 45.403 45.629 -0.226 1
1 1473 . 13 1 1 A 114 114 GLY N N 114 113.170 106.799 6.371 1
1 1474 . 13 1 1 A 115 115 GLU H H 115 7.346 8.859 -1.513 1
1 1475 . 13 1 1 A 115 115 GLU HA H 115 4.113 4.597 -0.484 1
1 1480 . 13 1 1 A 115 115 GLU C C 115 175.840 175.238 0.602 1
1 1481 . 13 1 1 A 115 115 GLU CA C 115 58.180 55.556 2.624 1
1 1482 . 13 1 1 A 115 115 GLU CB C 115 30.902 30.241 0.661 1
1 1484 . 13 1 1 A 115 115 GLU N N 115 119.440 122.843 -3.403 1
1 1485 . 13 1 1 A 116 116 LYS H H 116 9.107 7.915 1.192 1
1 1486 . 13 1 1 A 116 116 LYS HA H 116 4.529 3.951 0.578 1
1 1495 . 13 1 1 A 116 116 LYS C C 116 176.050 175.024 1.026 1
1 1496 . 13 1 1 A 116 116 LYS CA C 116 56.820 56.806 0.014 1
1 1497 . 13 1 1 A 116 116 LYS CB C 116 33.358 31.089 2.269 1
1 1501 . 13 1 1 A 116 116 LYS N N 116 121.800 116.153 5.647 1
1 1502 . 13 1 1 A 117 117 VAL H H 117 7.860 7.545 0.315 1
1 1503 . 13 1 1 A 117 117 VAL HA H 117 4.668 4.061 0.607 1
1 1511 . 13 1 1 A 117 117 VAL C C 117 171.630 174.380 -2.750 1
1 1512 . 13 1 1 A 117 117 VAL CA C 117 57.440 62.161 -4.721 1
1 1513 . 13 1 1 A 117 117 VAL CB C 117 34.614 31.897 2.717 1
1 1516 . 13 1 1 A 117 117 VAL N N 117 118.940 118.744 0.196 1
1 1517 . 13 1 1 A 118 118 ALA H H 118 8.310 9.010 -0.700 1
1 1518 . 13 1 1 A 118 118 ALA HA H 118 4.506 4.669 -0.163 1
1 1522 . 13 1 1 A 118 118 ALA C C 118 174.660 175.571 -0.911 1
1 1523 . 13 1 1 A 118 118 ALA CA C 118 50.370 50.119 0.251 1
1 1524 . 13 1 1 A 118 118 ALA CB C 118 20.250 20.266 -0.016 1
1 1525 . 13 1 1 A 118 118 ALA N N 118 130.190 130.772 -0.582 1
1 1526 . 13 1 1 A 119 119 VAL H H 119 8.295 8.594 -0.299 1
1 1527 . 13 1 1 A 119 119 VAL HA H 119 4.096 4.177 -0.081 1
1 1535 . 13 1 1 A 119 119 VAL C C 119 175.320 175.901 -0.581 1
1 1536 . 13 1 1 A 119 119 VAL CA C 119 61.570 62.453 -0.883 1
1 1537 . 13 1 1 A 119 119 VAL CB C 119 31.445 30.816 0.629 1
1 1540 . 13 1 1 A 119 119 VAL N N 119 123.160 123.171 -0.011 1
1 1541 . 13 1 1 A 120 120 ARG H H 120 8.596 8.844 -0.248 1
1 1542 . 13 1 1 A 120 120 ARG HA H 120 4.534 4.688 -0.154 1
1 1550 . 13 1 1 A 120 120 ARG C C 120 175.260 176.468 -1.208 1
1 1551 . 13 1 1 A 120 120 ARG CA C 120 53.740 53.622 0.118 1
1 1552 . 13 1 1 A 120 120 ARG CB C 120 34.359 34.167 0.192 1
1 1555 . 13 1 1 A 120 120 ARG N N 120 123.692 127.444 -3.752 1
1 1557 . 13 1 1 A 121 121 PHE H H 121 8.585 9.062 -0.477 1
1 1558 . 13 1 1 A 121 121 PHE HA H 121 4.591 4.377 0.214 1
1 1566 . 13 1 1 A 121 121 PHE C C 121 176.430 174.886 1.544 1
1 1567 . 13 1 1 A 121 121 PHE CA C 121 60.370 57.923 2.447 1
1 1568 . 13 1 1 A 121 121 PHE CB C 121 38.713 39.069 -0.356 1
1 1572 . 13 1 1 A 121 121 PHE N N 121 120.110 121.489 -1.379 1
1 1573 . 13 1 1 A 122 122 ALA H H 122 7.896 8.010 -0.114 1
1 1574 . 13 1 1 A 122 122 ALA HA H 122 4.304 4.024 0.280 1
1 1578 . 13 1 1 A 122 122 ALA C C 122 177.430 177.203 0.227 1
1 1579 . 13 1 1 A 122 122 ALA CA C 122 52.050 53.085 -1.035 1
1 1580 . 13 1 1 A 122 122 ALA CB C 122 19.865 16.914 2.951 1
1 1581 . 13 1 1 A 122 122 ALA N N 122 123.820 121.450 2.370 1
1 1582 . 13 1 1 A 123 123 SER H H 123 8.675 8.363 0.312 1
1 1583 . 13 1 1 A 123 123 SER HA H 123 4.372 4.651 -0.279 1
1 1586 . 13 1 1 A 123 123 SER C C 123 173.630 173.235 0.395 1
1 1587 . 13 1 1 A 123 123 SER CA C 123 58.750 57.745 1.005 1
1 1588 . 13 1 1 A 123 123 SER CB C 123 63.870 61.682 2.188 1
1 1589 . 13 1 1 A 123 123 SER N N 123 117.330 113.533 3.797 1
1 14 . 14 1 1 A 2 2 ARG H H 2 9.247 8.712 0.535 1
1 15 . 14 1 1 A 2 2 ARG HA H 2 5.249 4.578 0.671 1
1 23 . 14 1 1 A 2 2 ARG C C 2 176.020 175.270 0.750 1
1 24 . 14 1 1 A 2 2 ARG CA C 2 56.360 56.731 -0.371 1
1 25 . 14 1 1 A 2 2 ARG CB C 2 31.953 31.540 0.413 1
1 28 . 14 1 1 A 2 2 ARG N N 2 129.420 126.922 2.498 1
1 30 . 14 1 1 A 3 3 VAL H H 3 9.361 8.279 1.082 1
1 31 . 14 1 1 A 3 3 VAL HA H 3 4.464 4.972 -0.508 1
1 39 . 14 1 1 A 3 3 VAL C C 3 173.160 174.077 -0.917 1
1 40 . 14 1 1 A 3 3 VAL CA C 3 61.330 60.419 0.911 1
1 41 . 14 1 1 A 3 3 VAL CB C 3 36.251 35.990 0.261 1
1 44 . 14 1 1 A 3 3 VAL N N 3 126.750 120.246 6.504 1
1 45 . 14 1 1 A 4 4 GLU H H 4 9.294 9.385 -0.091 1
1 46 . 14 1 1 A 4 4 GLU HA H 4 4.807 5.196 -0.389 1
1 51 . 14 1 1 A 4 4 GLU C C 4 173.020 174.711 -1.691 1
1 52 . 14 1 1 A 4 4 GLU CA C 4 54.890 54.585 0.305 1
1 53 . 14 1 1 A 4 4 GLU CB C 4 33.146 33.168 -0.022 1
1 55 . 14 1 1 A 4 4 GLU N N 4 128.550 127.737 0.813 1
1 56 . 14 1 1 A 5 5 LEU H H 5 8.685 9.312 -0.627 1
1 57 . 14 1 1 A 5 5 LEU HA H 5 4.547 4.806 -0.259 1
1 67 . 14 1 1 A 5 5 LEU C C 5 173.750 175.015 -1.265 1
1 68 . 14 1 1 A 5 5 LEU CA C 5 52.450 53.236 -0.786 1
1 69 . 14 1 1 A 5 5 LEU CB C 5 41.998 42.954 -0.956 1
1 73 . 14 1 1 A 5 5 LEU N N 5 124.490 127.687 -3.197 1
1 74 . 14 1 1 A 6 6 LEU H H 6 8.608 8.806 -0.198 1
1 75 . 14 1 1 A 6 6 LEU HA H 6 4.502 4.990 -0.488 1
1 85 . 14 1 1 A 6 6 LEU C C 6 176.550 174.987 1.563 1
1 86 . 14 1 1 A 6 6 LEU CA C 6 53.790 53.944 -0.154 1
1 87 . 14 1 1 A 6 6 LEU CB C 6 42.240 43.661 -1.421 1
1 91 . 14 1 1 A 6 6 LEU N N 6 123.330 125.134 -1.804 1
1 92 . 14 1 1 A 7 7 PHE H H 7 8.344 8.958 -0.614 1
1 93 . 14 1 1 A 7 7 PHE HA H 7 5.378 4.899 0.479 1
1 101 . 14 1 1 A 7 7 PHE C C 7 175.050 175.928 -0.878 1
1 102 . 14 1 1 A 7 7 PHE CA C 7 55.830 56.797 -0.967 1
1 103 . 14 1 1 A 7 7 PHE CB C 7 39.383 43.329 -3.946 1
1 108 . 14 1 1 A 7 7 PHE N N 7 125.190 122.201 2.989 1
1 109 . 14 1 1 A 8 8 GLU H H 8 8.226 8.537 -0.311 1
1 110 . 14 1 1 A 8 8 GLU HA H 8 4.266 4.157 0.109 1
1 115 . 14 1 1 A 8 8 GLU C C 8 180.740 177.940 2.800 1
1 116 . 14 1 1 A 8 8 GLU CA C 8 59.530 59.244 0.286 1
1 117 . 14 1 1 A 8 8 GLU CB C 8 29.723 29.686 0.037 1
1 119 . 14 1 1 A 8 8 GLU N N 8 120.100 121.672 -1.572 1
1 120 . 14 1 1 A 9 9 SER H H 9 9.069 8.792 0.277 1
1 121 . 14 1 1 A 9 9 SER HA H 9 4.467 4.545 -0.078 1
1 124 . 14 1 1 A 9 9 SER C C 9 173.740 174.472 -0.732 1
1 125 . 14 1 1 A 9 9 SER CA C 9 58.600 59.279 -0.679 1
1 126 . 14 1 1 A 9 9 SER CB C 9 63.120 63.978 -0.858 1
1 127 . 14 1 1 A 9 9 SER N N 9 112.770 112.984 -0.214 1
1 128 . 14 1 1 A 10 10 GLY H H 10 6.925 7.536 -0.611 1
1 129 . 14 1 1 A 10 10 GLY HA2 H 10 3.896 4.007 -0.111 1
1 130 . 14 1 1 A 10 10 GLY HA3 H 10 3.896 4.049 -0.153 1
1 131 . 14 1 1 A 10 10 GLY C C 10 170.040 171.243 -1.203 1
1 132 . 14 1 1 A 10 10 GLY CA C 10 45.466 46.031 -0.565 1
1 133 . 14 1 1 A 10 10 GLY N N 10 105.760 105.759 0.001 1
1 134 . 14 1 1 A 11 11 LYS H H 11 9.071 8.491 0.580 1
1 135 . 14 1 1 A 11 11 LYS HA H 11 5.484 5.585 -0.101 1
1 144 . 14 1 1 A 11 11 LYS C C 11 174.230 174.460 -0.230 1
1 145 . 14 1 1 A 11 11 LYS CA C 11 55.460 55.018 0.442 1
1 146 . 14 1 1 A 11 11 LYS CB C 11 36.408 36.753 -0.345 1
1 150 . 14 1 1 A 11 11 LYS N N 11 118.960 117.186 1.774 1
1 151 . 14 1 1 A 12 12 CYS H H 12 8.917 9.143 -0.226 1
1 152 . 14 1 1 A 12 12 CYS HA H 12 5.083 5.104 -0.021 1
1 155 . 14 1 1 A 12 12 CYS C C 12 171.760 172.884 -1.124 1
1 156 . 14 1 1 A 12 12 CYS CA C 12 56.770 57.808 -1.038 1
1 157 . 14 1 1 A 12 12 CYS CB C 12 31.267 33.531 -2.264 1
1 158 . 14 1 1 A 12 12 CYS N N 12 115.700 118.670 -2.970 1
1 159 . 14 1 1 A 13 13 VAL H H 13 8.474 8.448 0.026 1
1 160 . 14 1 1 A 13 13 VAL HA H 13 4.992 4.950 0.042 1
1 168 . 14 1 1 A 13 13 VAL C C 13 175.660 175.263 0.397 1
1 169 . 14 1 1 A 13 13 VAL CA C 13 61.490 61.143 0.347 1
1 170 . 14 1 1 A 13 13 VAL CB C 13 35.125 35.461 -0.336 1
1 173 . 14 1 1 A 13 13 VAL N N 13 120.490 120.710 -0.220 1
1 174 . 14 1 1 A 14 14 ILE H H 14 9.378 9.300 0.078 1
1 175 . 14 1 1 A 14 14 ILE HA H 14 5.335 5.254 0.081 1
1 185 . 14 1 1 A 14 14 ILE C C 14 172.570 173.478 -0.908 1
1 186 . 14 1 1 A 14 14 ILE CA C 14 58.540 58.595 -0.055 1
1 187 . 14 1 1 A 14 14 ILE CB C 14 40.755 41.744 -0.989 1
1 191 . 14 1 1 A 14 14 ILE N N 14 120.140 122.522 -2.382 1
1 192 . 14 1 1 A 15 15 ASP H H 15 9.295 8.979 0.316 1
1 193 . 14 1 1 A 15 15 ASP HA H 15 5.274 5.321 -0.047 1
1 196 . 14 1 1 A 15 15 ASP C C 15 176.510 174.922 1.588 1
1 197 . 14 1 1 A 15 15 ASP CA C 15 53.050 52.946 0.104 1
1 198 . 14 1 1 A 15 15 ASP CB C 15 44.007 43.532 0.475 1
1 199 . 14 1 1 A 15 15 ASP N N 15 123.200 125.138 -1.938 1
1 200 . 14 1 1 A 16 16 LEU H H 16 8.892 9.073 -0.181 1
1 201 . 14 1 1 A 16 16 LEU HA H 16 4.981 5.236 -0.255 1
1 211 . 14 1 1 A 16 16 LEU C C 16 175.430 175.420 0.010 1
1 212 . 14 1 1 A 16 16 LEU CA C 16 53.040 53.572 -0.532 1
1 213 . 14 1 1 A 16 16 LEU CB C 16 45.782 44.821 0.961 1
1 217 . 14 1 1 A 16 16 LEU N N 16 123.620 127.066 -3.446 1
1 218 . 14 1 1 A 17 17 ASN H H 17 8.694 8.738 -0.044 1
1 219 . 14 1 1 A 17 17 ASN HA H 17 4.632 4.996 -0.364 1
1 224 . 14 1 1 A 17 17 ASN C C 17 175.500 176.297 -0.797 1
1 225 . 14 1 1 A 17 17 ASN CA C 17 53.310 52.863 0.447 1
1 226 . 14 1 1 A 17 17 ASN CB C 17 38.508 39.812 -1.304 1
1 227 . 14 1 1 A 17 17 ASN N N 17 121.330 122.616 -1.286 1
1 229 . 14 1 1 A 18 18 GLU H H 18 8.793 9.186 -0.393 1
1 230 . 14 1 1 A 18 18 GLU HA H 18 3.736 4.474 -0.738 1
1 235 . 14 1 1 A 18 18 GLU C C 18 175.250 177.215 -1.965 1
1 236 . 14 1 1 A 18 18 GLU CA C 18 58.330 56.644 1.686 1
1 237 . 14 1 1 A 18 18 GLU CB C 18 29.947 29.792 0.155 1
1 239 . 14 1 1 A 18 18 GLU N N 18 124.750 125.956 -1.206 1
1 240 . 14 1 1 A 19 19 GLU H H 19 8.187 7.958 0.229 1
1 241 . 14 1 1 A 19 19 GLU HA H 19 3.885 4.213 -0.328 1
1 246 . 14 1 1 A 19 19 GLU C C 19 177.350 174.984 2.366 1
1 247 . 14 1 1 A 19 19 GLU CA C 19 57.730 56.154 1.576 1
1 248 . 14 1 1 A 19 19 GLU CB C 19 29.744 29.662 0.082 1
1 250 . 14 1 1 A 19 19 GLU N N 19 117.280 117.558 -0.278 1
1 251 . 14 1 1 A 20 20 TYR H H 20 7.135 7.230 -0.095 1
1 252 . 14 1 1 A 20 20 TYR HA H 20 4.668 4.901 -0.233 1
1 259 . 14 1 1 A 20 20 TYR CA C 20 56.050 57.135 -1.085 1
1 260 . 14 1 1 A 20 20 TYR CB C 20 38.464 40.550 -2.086 1
1 263 . 14 1 1 A 20 20 TYR N N 20 117.730 119.489 -1.759 1
1 264 . 14 1 1 A 21 21 GLU H H 21 10.044 9.041 1.003 1
1 265 . 14 1 1 A 21 21 GLU HA H 21 3.807 3.914 -0.107 1
1 270 . 14 1 1 A 21 21 GLU C C 21 179.150 178.317 0.833 1
1 271 . 14 1 1 A 21 21 GLU CA C 21 60.640 59.892 0.748 1
1 272 . 14 1 1 A 21 21 GLU CB C 21 29.167 29.696 -0.529 1
1 274 . 14 1 1 A 21 21 GLU N N 21 129.480 124.398 5.082 1
1 275 . 14 1 1 A 22 22 VAL H H 22 9.539 8.180 1.359 1
1 276 . 14 1 1 A 22 22 VAL HA H 22 3.574 3.713 -0.139 1
1 284 . 14 1 1 A 22 22 VAL C C 22 175.490 177.855 -2.365 1
1 285 . 14 1 1 A 22 22 VAL CA C 22 64.470 65.340 -0.870 1
1 286 . 14 1 1 A 22 22 VAL CB C 22 30.858 31.292 -0.434 1
1 289 . 14 1 1 A 22 22 VAL N N 22 115.360 118.933 -3.573 1
1 290 . 14 1 1 A 23 23 VAL H H 23 6.843 7.950 -1.107 1
1 291 . 14 1 1 A 23 23 VAL HA H 23 3.387 3.670 -0.283 1
1 299 . 14 1 1 A 23 23 VAL C C 23 176.900 178.203 -1.303 1
1 300 . 14 1 1 A 23 23 VAL CA C 23 67.030 66.849 0.181 1
1 301 . 14 1 1 A 23 23 VAL CB C 23 31.499 31.749 -0.250 1
1 304 . 14 1 1 A 23 23 VAL N N 23 121.150 121.225 -0.075 1
1 305 . 14 1 1 A 24 24 LYS H H 24 7.533 7.660 -0.127 1
1 306 . 14 1 1 A 24 24 LYS HA H 24 3.851 3.984 -0.133 1
1 315 . 14 1 1 A 24 24 LYS C C 24 179.820 179.594 0.226 1
1 316 . 14 1 1 A 24 24 LYS CA C 24 60.480 59.940 0.540 1
1 317 . 14 1 1 A 24 24 LYS CB C 24 32.626 32.366 0.260 1
1 321 . 14 1 1 A 24 24 LYS N N 24 120.120 119.464 0.656 1
1 322 . 14 1 1 A 25 25 LEU H H 25 7.870 8.350 -0.480 1
1 323 . 14 1 1 A 25 25 LEU HA H 25 4.097 4.127 -0.030 1
1 333 . 14 1 1 A 25 25 LEU C C 25 180.620 179.591 1.029 1
1 334 . 14 1 1 A 25 25 LEU CA C 25 57.440 57.681 -0.241 1
1 335 . 14 1 1 A 25 25 LEU CB C 25 41.717 41.361 0.356 1
1 339 . 14 1 1 A 25 25 LEU N N 25 117.260 119.959 -2.699 1
1 340 . 14 1 1 A 26 26 LEU H H 26 8.489 8.403 0.086 1
1 341 . 14 1 1 A 26 26 LEU HA H 26 3.703 3.914 -0.211 1
1 351 . 14 1 1 A 26 26 LEU C C 26 178.820 179.195 -0.375 1
1 352 . 14 1 1 A 26 26 LEU CA C 26 58.310 57.479 0.831 1
1 353 . 14 1 1 A 26 26 LEU CB C 26 42.487 41.121 1.366 1
1 357 . 14 1 1 A 26 26 LEU N N 26 121.760 119.108 2.652 1
1 358 . 14 1 1 A 27 27 LYS H H 27 8.190 8.129 0.061 1
1 359 . 14 1 1 A 27 27 LYS HA H 27 3.799 4.213 -0.414 1
1 368 . 14 1 1 A 27 27 LYS C C 27 177.470 179.236 -1.766 1
1 369 . 14 1 1 A 27 27 LYS CA C 27 60.480 59.613 0.867 1
1 370 . 14 1 1 A 27 27 LYS CB C 27 33.472 32.333 1.139 1
1 374 . 14 1 1 A 27 27 LYS N N 27 117.650 121.342 -3.692 1
1 375 . 14 1 1 A 28 28 GLU H H 28 6.841 8.072 -1.231 1
1 376 . 14 1 1 A 28 28 GLU HA H 28 4.238 4.254 -0.016 1
1 381 . 14 1 1 A 28 28 GLU C C 28 177.280 177.605 -0.325 1
1 382 . 14 1 1 A 28 28 GLU CA C 28 57.370 58.667 -1.297 1
1 383 . 14 1 1 A 28 28 GLU CB C 28 30.480 29.510 0.970 1
1 385 . 14 1 1 A 28 28 GLU N N 28 111.940 118.253 -6.313 1
1 386 . 14 1 1 A 29 29 LYS H H 29 7.577 8.050 -0.473 1
1 387 . 14 1 1 A 29 29 LYS HA H 29 4.414 4.500 -0.086 1
1 396 . 14 1 1 A 29 29 LYS C C 29 175.230 174.889 0.341 1
1 397 . 14 1 1 A 29 29 LYS CA C 29 53.800 54.931 -1.131 1
1 398 . 14 1 1 A 29 29 LYS CB C 29 33.530 32.669 0.861 1
1 402 . 14 1 1 A 29 29 LYS N N 29 115.460 117.681 -2.221 1
1 403 . 14 1 1 A 30 30 ILE H H 30 6.921 7.172 -0.251 1
1 404 . 14 1 1 A 30 30 ILE HA H 30 3.939 4.652 -0.713 1
1 414 . 14 1 1 A 30 30 ILE CA C 30 60.290 57.248 3.042 1
1 415 . 14 1 1 A 30 30 ILE CB C 30 39.967 41.019 -1.052 1
1 419 . 14 1 1 A 30 30 ILE N N 30 122.100 120.888 1.212 1
1 420 . 14 1 1 A 31 31 PRO HA H 31 4.840 4.931 -0.091 1
1 427 . 14 1 1 A 31 31 PRO C C 31 175.340 176.313 -0.973 1
1 428 . 14 1 1 A 31 31 PRO CA C 31 62.720 62.419 0.301 1
1 429 . 14 1 1 A 31 31 PRO CB C 31 36.350 33.181 3.169 1
1 432 . 14 1 1 A 32 32 PHE H H 32 7.627 8.852 -1.225 1
1 433 . 14 1 1 A 32 32 PHE HA H 32 4.959 5.077 -0.118 1
1 441 . 14 1 1 A 32 32 PHE C C 32 171.870 172.189 -0.319 1
1 442 . 14 1 1 A 32 32 PHE CA C 32 56.300 56.185 0.115 1
1 443 . 14 1 1 A 32 32 PHE CB C 32 40.253 41.604 -1.351 1
1 447 . 14 1 1 A 32 32 PHE N N 32 112.880 117.131 -4.251 1
1 448 . 14 1 1 A 33 33 GLU H H 33 8.728 8.671 0.057 1
1 449 . 14 1 1 A 33 33 GLU HA H 33 5.309 5.216 0.093 1
1 454 . 14 1 1 A 33 33 GLU C C 33 175.630 175.048 0.582 1
1 455 . 14 1 1 A 33 33 GLU CA C 33 54.450 54.588 -0.138 1
1 456 . 14 1 1 A 33 33 GLU CB C 33 33.814 33.081 0.733 1
1 458 . 14 1 1 A 33 33 GLU N N 33 118.710 119.207 -0.497 1
1 459 . 14 1 1 A 34 34 SER H H 34 8.964 8.663 0.301 1
1 460 . 14 1 1 A 34 34 SER HA H 34 4.803 4.866 -0.063 1
1 463 . 14 1 1 A 34 34 SER C C 34 174.560 173.116 1.444 1
1 464 . 14 1 1 A 34 34 SER CA C 34 55.830 56.482 -0.652 1
1 465 . 14 1 1 A 34 34 SER CB C 34 64.270 65.858 -1.588 1
1 466 . 14 1 1 A 34 34 SER N N 34 115.150 115.813 -0.663 1
1 467 . 14 1 1 A 35 35 VAL H H 35 8.322 8.731 -0.409 1
1 468 . 14 1 1 A 35 35 VAL HA H 35 4.724 4.113 0.611 1
1 476 . 14 1 1 A 35 35 VAL C C 35 174.950 175.575 -0.625 1
1 477 . 14 1 1 A 35 35 VAL CA C 35 61.350 62.600 -1.250 1
1 478 . 14 1 1 A 35 35 VAL CB C 35 35.676 32.189 3.487 1
1 481 . 14 1 1 A 35 35 VAL N N 35 121.700 123.536 -1.836 1
1 482 . 14 1 1 A 36 36 VAL H H 36 9.200 8.795 0.405 1
1 483 . 14 1 1 A 36 36 VAL HA H 36 3.999 4.356 -0.357 1
1 491 . 14 1 1 A 36 36 VAL C C 36 175.490 175.131 0.359 1
1 492 . 14 1 1 A 36 36 VAL CA C 36 63.900 62.410 1.490 1
1 493 . 14 1 1 A 36 36 VAL CB C 36 33.593 30.307 3.286 1
1 496 . 14 1 1 A 36 36 VAL N N 36 123.870 128.146 -4.276 1
1 497 . 14 1 1 A 37 37 ASN H H 37 8.739 8.115 0.624 1
1 498 . 14 1 1 A 37 37 ASN HA H 37 5.276 4.686 0.590 1
1 503 . 14 1 1 A 37 37 ASN C C 37 174.040 175.120 -1.080 1
1 504 . 14 1 1 A 37 37 ASN CA C 37 51.960 53.648 -1.688 1
1 505 . 14 1 1 A 37 37 ASN CB C 37 41.996 38.590 3.406 1
1 506 . 14 1 1 A 37 37 ASN N N 37 123.895 124.782 -0.887 1
1 508 . 14 1 1 A 38 38 THR H H 38 8.703 8.853 -0.150 1
1 509 . 14 1 1 A 38 38 THR HA H 38 5.323 5.593 -0.270 1
1 514 . 14 1 1 A 38 38 THR C C 38 174.910 173.344 1.566 1
1 515 . 14 1 1 A 38 38 THR CA C 38 59.740 60.032 -0.292 1
1 516 . 14 1 1 A 38 38 THR CB C 38 71.332 72.784 -1.452 1
1 518 . 14 1 1 A 38 38 THR N N 38 111.440 110.831 0.609 1
1 519 . 14 1 1 A 39 39 TRP H H 39 8.489 8.818 -0.329 1
1 520 . 14 1 1 A 39 39 TRP HA H 39 4.838 4.936 -0.098 1
1 529 . 14 1 1 A 39 39 TRP C C 39 175.270 175.742 -0.472 1
1 530 . 14 1 1 A 39 39 TRP CA C 39 57.040 57.126 -0.086 1
1 531 . 14 1 1 A 39 39 TRP CB C 39 29.089 31.697 -2.608 1
1 537 . 14 1 1 A 39 39 TRP N N 39 125.321 122.817 2.504 1
1 539 . 14 1 1 A 40 40 GLY H H 40 8.596 9.489 -0.893 1
1 540 . 14 1 1 A 40 40 GLY HA2 H 40 3.528 3.344 0.184 1
1 541 . 14 1 1 A 40 40 GLY HA3 H 40 3.465 3.618 -0.153 1
1 542 . 14 1 1 A 40 40 GLY CA C 40 47.619 46.731 0.888 1
1 543 . 14 1 1 A 40 40 GLY N N 40 113.220 115.059 -1.839 1
1 544 . 14 1 1 A 41 41 GLU H H 41 7.870 8.464 -0.594 1
1 545 . 14 1 1 A 41 41 GLU HA H 41 3.717 3.603 0.114 1
1 550 . 14 1 1 A 41 41 GLU C C 41 171.810 175.054 -3.244 1
1 551 . 14 1 1 A 41 41 GLU CA C 41 55.390 57.004 -1.614 1
1 552 . 14 1 1 A 41 41 GLU CB C 41 26.025 27.868 -1.843 1
1 554 . 14 1 1 A 41 41 GLU N N 41 128.227 117.301 10.926 1
1 555 . 14 1 1 A 42 42 GLU H H 42 7.158 7.906 -0.748 1
1 556 . 14 1 1 A 42 42 GLU HA H 42 4.811 5.004 -0.193 1
1 561 . 14 1 1 A 42 42 GLU C C 42 175.680 174.479 1.201 1
1 562 . 14 1 1 A 42 42 GLU CA C 42 53.860 56.106 -2.246 1
1 563 . 14 1 1 A 42 42 GLU CB C 42 31.149 33.813 -2.664 1
1 565 . 14 1 1 A 42 42 GLU N N 42 116.880 121.921 -5.041 1
1 566 . 14 1 1 A 43 43 ILE H H 43 8.226 8.766 -0.540 1
1 567 . 14 1 1 A 43 43 ILE HA H 43 4.934 5.191 -0.257 1
1 577 . 14 1 1 A 43 43 ILE C C 43 174.420 175.054 -0.634 1
1 578 . 14 1 1 A 43 43 ILE CA C 43 59.250 60.592 -1.342 1
1 579 . 14 1 1 A 43 43 ILE CB C 43 43.278 40.647 2.631 1
1 583 . 14 1 1 A 43 43 ILE N N 43 125.120 125.586 -0.466 1
1 584 . 14 1 1 A 44 44 TYR H H 44 9.318 9.098 0.220 1
1 585 . 14 1 1 A 44 44 TYR HA H 44 6.008 5.662 0.346 1
1 592 . 14 1 1 A 44 44 TYR C C 44 174.150 173.153 0.997 1
1 593 . 14 1 1 A 44 44 TYR CA C 44 55.740 55.483 0.257 1
1 594 . 14 1 1 A 44 44 TYR CB C 44 42.606 42.056 0.550 1
1 597 . 14 1 1 A 44 44 TYR N N 44 124.370 123.978 0.392 1
1 598 . 14 1 1 A 45 45 PHE H H 45 8.211 8.904 -0.693 1
1 599 . 14 1 1 A 45 45 PHE HA H 45 5.088 5.732 -0.644 1
1 607 . 14 1 1 A 45 45 PHE C C 45 173.730 173.695 0.035 1
1 608 . 14 1 1 A 45 45 PHE CA C 45 55.140 55.324 -0.184 1
1 609 . 14 1 1 A 45 45 PHE CB C 45 40.793 42.657 -1.864 1
1 613 . 14 1 1 A 45 45 PHE N N 45 114.110 117.329 -3.219 1
1 614 . 14 1 1 A 46 46 SER H H 46 9.523 8.819 0.704 1
1 615 . 14 1 1 A 46 46 SER HA H 46 4.316 4.752 -0.436 1
1 618 . 14 1 1 A 46 46 SER C C 46 174.360 174.180 0.180 1
1 619 . 14 1 1 A 46 46 SER CA C 46 59.960 57.994 1.966 1
1 620 . 14 1 1 A 46 46 SER CB C 46 63.980 62.653 1.327 1
1 621 . 14 1 1 A 46 46 SER N N 46 117.150 114.673 2.477 1
1 622 . 14 1 1 A 47 47 THR H H 47 8.225 8.475 -0.250 1
1 623 . 14 1 1 A 47 47 THR HA H 47 4.971 4.722 0.249 1
1 628 . 14 1 1 A 47 47 THR CA C 47 59.160 60.675 -1.515 1
1 629 . 14 1 1 A 47 47 THR CB C 47 70.385 68.863 1.522 1
1 631 . 14 1 1 A 47 47 THR N N 47 113.910 117.094 -3.184 1
1 632 . 14 1 1 A 48 48 PRO HA H 48 4.585 4.481 0.104 1
1 639 . 14 1 1 A 48 48 PRO C C 48 175.940 176.207 -0.267 1
1 640 . 14 1 1 A 48 48 PRO CA C 48 62.410 63.511 -1.101 1
1 641 . 14 1 1 A 48 48 PRO CB C 48 31.770 32.249 -0.479 1
1 644 . 14 1 1 A 49 49 VAL H H 49 7.458 7.480 -0.022 1
1 645 . 14 1 1 A 49 49 VAL HA H 49 4.178 4.166 0.012 1
1 653 . 14 1 1 A 49 49 VAL C C 49 174.070 176.066 -1.996 1
1 654 . 14 1 1 A 49 49 VAL CA C 49 60.840 63.136 -2.296 1
1 655 . 14 1 1 A 49 49 VAL CB C 49 34.134 32.798 1.336 1
1 658 . 14 1 1 A 49 49 VAL N N 49 114.800 119.955 -5.155 1
1 659 . 14 1 1 A 50 50 ASN H H 50 8.897 8.692 0.205 1
1 660 . 14 1 1 A 50 50 ASN HA H 50 4.684 5.274 -0.590 1
1 665 . 14 1 1 A 50 50 ASN C C 50 173.550 173.635 -0.085 1
1 666 . 14 1 1 A 50 50 ASN CA C 50 51.610 53.254 -1.644 1
1 667 . 14 1 1 A 50 50 ASN CB C 50 39.730 40.325 -0.595 1
1 668 . 14 1 1 A 50 50 ASN N N 50 126.400 123.939 2.461 1
1 670 . 14 1 1 A 51 51 VAL H H 51 7.587 8.717 -1.130 1
1 671 . 14 1 1 A 51 51 VAL HA H 51 4.148 4.853 -0.705 1
1 679 . 14 1 1 A 51 51 VAL C C 51 174.350 174.486 -0.136 1
1 680 . 14 1 1 A 51 51 VAL CA C 51 61.280 59.850 1.430 1
1 681 . 14 1 1 A 51 51 VAL CB C 51 35.206 35.652 -0.446 1
1 684 . 14 1 1 A 51 51 VAL N N 51 122.670 123.802 -1.132 1
1 685 . 14 1 1 A 52 52 GLN H H 52 8.337 8.749 -0.412 1
1 686 . 14 1 1 A 52 52 GLN HA H 52 4.094 4.721 -0.627 1
1 693 . 14 1 1 A 52 52 GLN C C 52 176.240 175.645 0.595 1
1 694 . 14 1 1 A 52 52 GLN CA C 52 56.560 55.401 1.159 1
1 695 . 14 1 1 A 52 52 GLN CB C 52 29.745 29.727 0.018 1
1 697 . 14 1 1 A 52 52 GLN N N 52 122.670 124.053 -1.383 1
1 699 . 14 1 1 A 53 53 LYS H H 53 7.363 7.642 -0.279 1
1 700 . 14 1 1 A 53 53 LYS HA H 53 3.994 4.425 -0.431 1
1 709 . 14 1 1 A 53 53 LYS C C 53 176.010 175.962 0.048 1
1 710 . 14 1 1 A 53 53 LYS CA C 53 56.960 56.640 0.320 1
1 711 . 14 1 1 A 53 53 LYS CB C 53 33.000 32.998 0.002 1
1 715 . 14 1 1 A 53 53 LYS N N 53 119.940 122.749 -2.809 1
1 716 . 14 1 1 A 54 54 MET H H 54 8.797 8.848 -0.051 1
1 717 . 14 1 1 A 54 54 MET HA H 54 4.449 5.149 -0.700 1
1 725 . 14 1 1 A 54 54 MET C C 54 174.630 175.623 -0.993 1
1 726 . 14 1 1 A 54 54 MET CA C 54 54.530 53.361 1.169 1
1 727 . 14 1 1 A 54 54 MET CB C 54 36.912 35.450 1.462 1
1 730 . 14 1 1 A 54 54 MET N N 54 124.720 124.988 -0.268 1
1 731 . 14 1 1 A 55 55 GLU H H 55 9.773 9.154 0.619 1
1 732 . 14 1 1 A 55 55 GLU HA H 55 4.029 4.772 -0.743 1
1 737 . 14 1 1 A 55 55 GLU C C 55 176.930 176.709 0.221 1
1 738 . 14 1 1 A 55 55 GLU CA C 55 59.910 56.942 2.968 1
1 739 . 14 1 1 A 55 55 GLU CB C 55 29.611 32.545 -2.934 1
1 741 . 14 1 1 A 55 55 GLU N N 55 124.250 119.091 5.159 1
1 742 . 14 1 1 A 56 56 ASN H H 56 8.371 7.972 0.399 1
1 743 . 14 1 1 A 56 56 ASN HA H 56 5.163 5.141 0.022 1
1 748 . 14 1 1 A 56 56 ASN CA C 56 50.680 50.409 0.271 1
1 749 . 14 1 1 A 56 56 ASN CB C 56 39.563 38.898 0.665 1
1 750 . 14 1 1 A 56 56 ASN N N 56 115.600 118.489 -2.889 1
1 752 . 14 1 1 A 57 57 PRO HA H 57 4.854 5.088 -0.234 1
1 759 . 14 1 1 A 57 57 PRO C C 57 178.760 175.954 2.806 1
1 760 . 14 1 1 A 57 57 PRO CA C 57 62.630 62.649 -0.019 1
1 761 . 14 1 1 A 57 57 PRO CB C 57 32.197 32.574 -0.377 1
1 764 . 14 1 1 A 58 58 ARG H H 58 9.448 8.736 0.712 1
1 765 . 14 1 1 A 58 58 ARG HA H 58 4.636 4.739 -0.103 1
1 773 . 14 1 1 A 58 58 ARG C C 58 175.430 175.677 -0.247 1
1 774 . 14 1 1 A 58 58 ARG CA C 58 54.210 54.378 -0.168 1
1 775 . 14 1 1 A 58 58 ARG CB C 58 34.208 35.080 -0.872 1
1 778 . 14 1 1 A 58 58 ARG N N 58 122.690 121.165 1.525 1
1 780 . 14 1 1 A 59 59 GLU H H 59 8.694 8.848 -0.154 1
1 781 . 14 1 1 A 59 59 GLU HA H 59 4.096 4.580 -0.484 1
1 786 . 14 1 1 A 59 59 GLU C C 59 175.210 175.810 -0.600 1
1 787 . 14 1 1 A 59 59 GLU CA C 59 56.470 56.419 0.051 1
1 788 . 14 1 1 A 59 59 GLU CB C 59 31.074 30.317 0.757 1
1 790 . 14 1 1 A 59 59 GLU N N 59 119.520 120.464 -0.944 1
1 791 . 14 1 1 A 60 60 VAL H H 60 7.296 7.498 -0.202 1
1 792 . 14 1 1 A 60 60 VAL HA H 60 4.471 4.495 -0.024 1
1 800 . 14 1 1 A 60 60 VAL C C 60 174.900 173.558 1.342 1
1 801 . 14 1 1 A 60 60 VAL CA C 60 61.058 60.308 0.750 1
1 802 . 14 1 1 A 60 60 VAL CB C 60 35.056 34.572 0.484 1
1 805 . 14 1 1 A 60 60 VAL N N 60 117.380 117.393 -0.013 1
1 806 . 14 1 1 A 61 61 VAL H H 61 8.064 8.556 -0.492 1
1 807 . 14 1 1 A 61 61 VAL HA H 61 4.540 4.846 -0.306 1
1 815 . 14 1 1 A 61 61 VAL C C 61 172.880 174.390 -1.510 1
1 816 . 14 1 1 A 61 61 VAL CA C 61 58.820 58.801 0.019 1
1 817 . 14 1 1 A 61 61 VAL CB C 61 33.464 35.902 -2.438 1
1 820 . 14 1 1 A 61 61 VAL N N 61 117.630 120.413 -2.783 1
1 821 . 14 1 1 A 62 62 GLU H H 62 8.620 8.876 -0.256 1
1 822 . 14 1 1 A 62 62 GLU HA H 62 4.543 4.524 0.019 1
1 827 . 14 1 1 A 62 62 GLU C C 62 176.350 177.604 -1.254 1
1 828 . 14 1 1 A 62 62 GLU CA C 62 53.640 55.193 -1.553 1
1 829 . 14 1 1 A 62 62 GLU CB C 62 32.360 30.966 1.394 1
1 831 . 14 1 1 A 62 62 GLU N N 62 118.060 120.164 -2.104 1
1 832 . 14 1 1 A 63 63 ILE H H 63 8.520 8.629 -0.109 1
1 833 . 14 1 1 A 63 63 ILE HA H 63 3.275 4.262 -0.987 1
1 843 . 14 1 1 A 63 63 ILE C C 63 177.940 176.117 1.823 1
1 844 . 14 1 1 A 63 63 ILE CA C 63 64.410 61.502 2.908 1
1 845 . 14 1 1 A 63 63 ILE CB C 63 37.674 37.801 -0.127 1
1 849 . 14 1 1 A 63 63 ILE N N 63 120.310 122.831 -2.521 1
1 850 . 14 1 1 A 64 64 GLY H H 64 9.091 7.640 1.451 1
1 851 . 14 1 1 A 64 64 GLY HA2 H 64 3.563 4.205 -0.642 1
1 852 . 14 1 1 A 64 64 GLY HA3 H 64 4.774 4.243 0.531 1
1 853 . 14 1 1 A 64 64 GLY C C 64 173.290 173.830 -0.540 1
1 854 . 14 1 1 A 64 64 GLY CA C 64 45.359 45.780 -0.421 1
1 855 . 14 1 1 A 64 64 GLY N N 64 116.340 109.198 7.142 1
1 856 . 14 1 1 A 65 65 ASP H H 65 8.335 7.704 0.631 1
1 857 . 14 1 1 A 65 65 ASP HA H 65 4.914 5.147 -0.233 1
1 860 . 14 1 1 A 65 65 ASP C C 65 175.180 175.022 0.158 1
1 861 . 14 1 1 A 65 65 ASP CA C 65 56.630 53.915 2.715 1
1 862 . 14 1 1 A 65 65 ASP CB C 65 41.980 42.706 -0.726 1
1 863 . 14 1 1 A 65 65 ASP N N 65 121.610 120.238 1.372 1
1 864 . 14 1 1 A 66 66 VAL H H 66 7.580 8.362 -0.782 1
1 865 . 14 1 1 A 66 66 VAL HA H 66 5.085 4.897 0.188 1
1 873 . 14 1 1 A 66 66 VAL C C 66 176.170 174.598 1.572 1
1 874 . 14 1 1 A 66 66 VAL CA C 66 60.240 60.717 -0.477 1
1 875 . 14 1 1 A 66 66 VAL CB C 66 33.783 36.272 -2.489 1
1 878 . 14 1 1 A 66 66 VAL N N 66 117.330 119.257 -1.927 1
1 879 . 14 1 1 A 67 67 GLY H H 67 9.592 8.550 1.042 1
1 880 . 14 1 1 A 67 67 GLY HA2 H 67 5.899 4.520 1.379 1
1 881 . 14 1 1 A 67 67 GLY HA3 H 67 3.200 4.640 -1.440 1
1 882 . 14 1 1 A 67 67 GLY C C 67 171.740 173.084 -1.344 1
1 883 . 14 1 1 A 67 67 GLY CA C 67 43.580 44.525 -0.945 1
1 884 . 14 1 1 A 67 67 GLY N N 67 111.440 113.565 -2.125 1
1 885 . 14 1 1 A 68 68 TYR H H 68 9.146 9.216 -0.070 1
1 886 . 14 1 1 A 68 68 TYR HA H 68 5.809 4.885 0.924 1
1 889 . 14 1 1 A 68 68 TYR C C 68 173.860 175.103 -1.243 1
1 890 . 14 1 1 A 68 68 TYR CA C 68 55.900 57.487 -1.587 1
1 891 . 14 1 1 A 68 68 TYR CB C 68 42.170 39.998 2.172 1
1 892 . 14 1 1 A 68 68 TYR N N 68 119.980 117.947 2.033 1
1 893 . 14 1 1 A 69 69 TRP H H 69 9.213 8.717 0.496 1
1 894 . 14 1 1 A 69 69 TRP HA H 69 5.268 4.824 0.444 1
1 902 . 14 1 1 A 69 69 TRP CA C 69 53.390 55.050 -1.660 1
1 903 . 14 1 1 A 69 69 TRP CB C 69 30.442 30.336 0.106 1
1 908 . 14 1 1 A 69 69 TRP N N 69 132.150 123.780 8.370 1
1 910 . 14 1 1 A 70 70 PRO HA H 70 3.923 4.156 -0.233 1
1 917 . 14 1 1 A 70 70 PRO CA C 70 66.753 64.356 2.397 1
1 918 . 14 1 1 A 70 70 PRO CB C 70 30.054 31.644 -1.590 1
1 921 . 14 1 1 A 71 71 PRO HA H 71 3.716 4.083 -0.367 1
1 928 . 14 1 1 A 71 71 PRO CA C 71 65.803 64.700 1.103 1
1 929 . 14 1 1 A 71 71 PRO CB C 71 30.620 30.831 -0.211 1
1 932 . 14 1 1 A 72 72 GLY HA2 H 72 3.168 3.996 -0.828 1
1 933 . 14 1 1 A 72 72 GLY HA3 H 72 4.271 4.145 0.126 1
1 934 . 14 1 1 A 72 72 GLY C C 72 173.220 173.293 -0.073 1
1 935 . 14 1 1 A 72 72 GLY CA C 72 44.350 45.153 -0.803 1
1 936 . 14 1 1 A 73 73 LYS H H 73 7.989 7.615 0.374 1
1 937 . 14 1 1 A 73 73 LYS HA H 73 3.566 3.760 -0.194 1
1 946 . 14 1 1 A 73 73 LYS C C 73 177.420 174.565 2.855 1
1 947 . 14 1 1 A 73 73 LYS CA C 73 57.790 57.092 0.698 1
1 948 . 14 1 1 A 73 73 LYS CB C 73 29.398 29.497 -0.099 1
1 952 . 14 1 1 A 73 73 LYS N N 73 121.515 114.101 7.414 1
1 953 . 14 1 1 A 74 74 ALA H H 74 6.969 7.998 -1.029 1
1 954 . 14 1 1 A 74 74 ALA HA H 74 5.123 5.182 -0.059 1
1 958 . 14 1 1 A 74 74 ALA C C 74 177.490 176.317 1.173 1
1 959 . 14 1 1 A 74 74 ALA CA C 74 51.900 50.266 1.634 1
1 960 . 14 1 1 A 74 74 ALA CB C 74 23.090 22.476 0.614 1
1 961 . 14 1 1 A 74 74 ALA N N 74 118.780 119.263 -0.483 1
1 962 . 14 1 1 A 75 75 LEU H H 75 8.032 7.955 0.077 1
1 963 . 14 1 1 A 75 75 LEU HA H 75 4.844 4.652 0.192 1
1 973 . 14 1 1 A 75 75 LEU C C 75 175.540 175.198 0.342 1
1 974 . 14 1 1 A 75 75 LEU CA C 75 54.000 53.890 0.110 1
1 975 . 14 1 1 A 75 75 LEU CB C 75 43.858 42.633 1.225 1
1 979 . 14 1 1 A 75 75 LEU N N 75 122.780 119.361 3.419 1
1 980 . 14 1 1 A 76 76 CYS H H 76 8.813 7.967 0.846 1
1 981 . 14 1 1 A 76 76 CYS HA H 76 5.178 4.957 0.221 1
1 984 . 14 1 1 A 76 76 CYS C C 76 173.080 172.740 0.340 1
1 985 . 14 1 1 A 76 76 CYS CA C 76 55.850 57.699 -1.849 1
1 986 . 14 1 1 A 76 76 CYS CB C 76 31.922 32.418 -0.496 1
1 987 . 14 1 1 A 76 76 CYS N N 76 117.950 117.339 0.611 1
1 988 . 14 1 1 A 77 77 LEU H H 77 9.621 8.739 0.882 1
1 989 . 14 1 1 A 77 77 LEU HA H 77 4.741 4.796 -0.055 1
1 999 . 14 1 1 A 77 77 LEU C C 77 175.040 175.425 -0.385 1
1 1000 . 14 1 1 A 77 77 LEU CA C 77 53.510 53.503 0.007 1
1 1001 . 14 1 1 A 77 77 LEU CB C 77 44.058 44.983 -0.925 1
1 1005 . 14 1 1 A 77 77 LEU N N 77 123.140 122.137 1.003 1
1 1006 . 14 1 1 A 78 78 PHE H H 78 7.930 8.905 -0.975 1
1 1007 . 14 1 1 A 78 78 PHE HA H 78 4.809 5.365 -0.556 1
1 1015 . 14 1 1 A 78 78 PHE C C 78 174.830 176.179 -1.349 1
1 1016 . 14 1 1 A 78 78 PHE CA C 78 58.140 56.143 1.997 1
1 1017 . 14 1 1 A 78 78 PHE CB C 78 39.603 40.208 -0.605 1
1 1021 . 14 1 1 A 78 78 PHE N N 78 120.120 123.710 -3.590 1
1 1022 . 14 1 1 A 79 79 PHE H H 79 8.038 9.572 -1.534 1
1 1023 . 14 1 1 A 79 79 PHE HA H 79 5.029 5.001 0.028 1
1 1031 . 14 1 1 A 79 79 PHE C C 79 172.070 175.094 -3.024 1
1 1032 . 14 1 1 A 79 79 PHE CA C 79 55.630 56.570 -0.940 1
1 1033 . 14 1 1 A 79 79 PHE CB C 79 39.003 40.148 -1.145 1
1 1037 . 14 1 1 A 79 79 PHE N N 79 119.040 118.824 0.216 1
1 1038 . 14 1 1 A 80 80 GLY H H 80 7.489 7.529 -0.040 1
1 1039 . 14 1 1 A 80 80 GLY HA2 H 80 3.653 4.076 -0.423 1
1 1040 . 14 1 1 A 80 80 GLY HA3 H 80 4.283 4.197 0.086 1
1 1041 . 14 1 1 A 80 80 GLY C C 80 170.830 171.314 -0.484 1
1 1042 . 14 1 1 A 80 80 GLY CA C 80 45.342 46.152 -0.810 1
1 1043 . 14 1 1 A 80 80 GLY N N 80 110.010 108.506 1.504 1
1 1044 . 14 1 1 A 81 81 LYS H H 81 8.186 8.469 -0.283 1
1 1045 . 14 1 1 A 81 81 LYS HA H 81 4.003 4.771 -0.768 1
1 1054 . 14 1 1 A 81 81 LYS C C 81 177.530 174.291 3.239 1
1 1055 . 14 1 1 A 81 81 LYS CA C 81 57.730 55.481 2.249 1
1 1056 . 14 1 1 A 81 81 LYS CB C 81 33.293 35.800 -2.507 1
1 1060 . 14 1 1 A 81 81 LYS N N 81 117.260 123.250 -5.990 1
1 1061 . 14 1 1 A 82 82 THR H H 82 8.076 8.643 -0.567 1
1 1062 . 14 1 1 A 82 82 THR HA H 82 4.423 5.069 -0.646 1
1 1067 . 14 1 1 A 82 82 THR CA C 82 59.230 59.905 -0.675 1
1 1068 . 14 1 1 A 82 82 THR CB C 82 68.310 68.904 -0.594 1
1 1070 . 14 1 1 A 82 82 THR N N 82 113.611 116.514 -2.903 1
1 1071 . 14 1 1 A 83 83 PRO HA H 83 4.090 4.404 -0.314 1
1 1078 . 14 1 1 A 83 83 PRO CA C 83 63.743 64.069 -0.326 1
1 1079 . 14 1 1 A 83 83 PRO CB C 83 32.167 31.386 0.781 1
1 1082 . 14 1 1 A 84 84 MET HA H 84 4.220 4.487 -0.267 1
1 1090 . 14 1 1 A 84 84 MET C C 84 175.920 176.537 -0.617 1
1 1091 . 14 1 1 A 84 84 MET CA C 84 55.880 57.597 -1.717 1
1 1092 . 14 1 1 A 84 84 MET CB C 84 33.070 33.844 -0.774 1
1 1095 . 14 1 1 A 85 85 SER H H 85 7.256 7.647 -0.391 1
1 1096 . 14 1 1 A 85 85 SER HA H 85 4.401 4.459 -0.058 1
1 1099 . 14 1 1 A 85 85 SER C C 85 173.380 173.092 0.288 1
1 1100 . 14 1 1 A 85 85 SER CA C 85 58.230 57.490 0.740 1
1 1101 . 14 1 1 A 85 85 SER CB C 85 64.290 64.481 -0.191 1
1 1102 . 14 1 1 A 85 85 SER N N 85 111.370 114.967 -3.597 1
1 1103 . 14 1 1 A 86 86 ASP H H 86 8.517 8.986 -0.469 1
1 1104 . 14 1 1 A 86 86 ASP HA H 86 4.692 4.768 -0.076 1
1 1107 . 14 1 1 A 86 86 ASP C C 86 175.860 177.239 -1.379 1
1 1108 . 14 1 1 A 86 86 ASP CA C 86 54.150 55.584 -1.434 1
1 1109 . 14 1 1 A 86 86 ASP CB C 86 41.360 43.326 -1.966 1
1 1110 . 14 1 1 A 86 86 ASP N N 86 123.320 123.206 0.114 1
1 1111 . 14 1 1 A 87 87 ASP H H 87 8.412 8.156 0.256 1
1 1112 . 14 1 1 A 87 87 ASP HA H 87 4.529 4.455 0.074 1
1 1115 . 14 1 1 A 87 87 ASP C C 87 175.270 175.828 -0.558 1
1 1116 . 14 1 1 A 87 87 ASP CA C 87 54.870 56.493 -1.623 1
1 1117 . 14 1 1 A 87 87 ASP CB C 87 41.580 41.863 -0.283 1
1 1118 . 14 1 1 A 87 87 ASP N N 87 118.900 119.785 -0.885 1
1 1119 . 14 1 1 A 88 88 LYS H H 88 7.869 7.325 0.544 1
1 1120 . 14 1 1 A 88 88 LYS HA H 88 4.372 4.715 -0.343 1
1 1129 . 14 1 1 A 88 88 LYS C C 88 174.870 175.173 -0.303 1
1 1130 . 14 1 1 A 88 88 LYS CA C 88 54.580 54.657 -0.077 1
1 1131 . 14 1 1 A 88 88 LYS CB C 88 34.047 34.150 -0.103 1
1 1135 . 14 1 1 A 88 88 LYS N N 88 118.310 113.221 5.089 1
1 1136 . 14 1 1 A 89 89 ILE H H 89 8.604 8.531 0.073 1
1 1137 . 14 1 1 A 89 89 ILE HA H 89 3.873 4.429 -0.556 1
1 1147 . 14 1 1 A 89 89 ILE C C 89 174.480 175.022 -0.542 1
1 1148 . 14 1 1 A 89 89 ILE CA C 89 61.890 60.635 1.255 1
1 1149 . 14 1 1 A 89 89 ILE CB C 89 36.398 37.701 -1.303 1
1 1153 . 14 1 1 A 89 89 ILE N N 89 121.510 120.337 1.173 1
1 1154 . 14 1 1 A 90 90 GLN H H 90 8.015 8.347 -0.332 1
1 1155 . 14 1 1 A 90 90 GLN HA H 90 5.033 4.562 0.471 1
1 1162 . 14 1 1 A 90 90 GLN CA C 90 52.110 53.779 -1.669 1
1 1163 . 14 1 1 A 90 90 GLN CB C 90 32.045 28.284 3.761 1
1 1165 . 14 1 1 A 90 90 GLN N N 90 126.430 124.633 1.797 1
1 1167 . 14 1 1 A 91 91 PRO HA H 91 4.508 4.824 -0.316 1
1 1174 . 14 1 1 A 91 91 PRO C C 91 175.210 177.316 -2.106 1
1 1175 . 14 1 1 A 91 91 PRO CA C 91 61.680 62.568 -0.888 1
1 1176 . 14 1 1 A 91 91 PRO CB C 91 32.854 33.176 -0.322 1
1 1179 . 14 1 1 A 92 92 ALA H H 92 8.014 8.639 -0.625 1
1 1180 . 14 1 1 A 92 92 ALA HA H 92 3.931 4.284 -0.353 1
1 1184 . 14 1 1 A 92 92 ALA CA C 92 55.270 54.638 0.632 1
1 1185 . 14 1 1 A 92 92 ALA CB C 92 18.838 18.935 -0.097 1
1 1186 . 14 1 1 A 92 92 ALA N N 92 121.420 122.625 -1.205 1
1 1187 . 14 1 1 A 93 93 SER H H 93 7.391 7.784 -0.393 1
1 1188 . 14 1 1 A 93 93 SER HA H 93 4.223 4.666 -0.443 1
1 1191 . 14 1 1 A 93 93 SER C C 93 171.670 172.616 -0.946 1
1 1192 . 14 1 1 A 93 93 SER CA C 93 57.240 56.148 1.092 1
1 1193 . 14 1 1 A 93 93 SER CB C 93 63.620 64.959 -1.339 1
1 1194 . 14 1 1 A 93 93 SER N N 93 105.210 110.190 -4.980 1
1 1195 . 14 1 1 A 94 94 ALA H H 94 8.276 8.466 -0.190 1
1 1196 . 14 1 1 A 94 94 ALA HA H 94 4.113 4.456 -0.343 1
1 1200 . 14 1 1 A 94 94 ALA C C 94 177.150 176.965 0.185 1
1 1201 . 14 1 1 A 94 94 ALA CA C 94 53.810 52.179 1.631 1
1 1202 . 14 1 1 A 94 94 ALA CB C 94 19.219 18.622 0.597 1
1 1203 . 14 1 1 A 94 94 ALA N N 94 117.972 125.111 -7.139 1
1 1204 . 14 1 1 A 95 95 VAL H H 95 7.886 8.259 -0.373 1
1 1205 . 14 1 1 A 95 95 VAL HA H 95 5.037 4.879 0.158 1
1 1213 . 14 1 1 A 95 95 VAL C C 95 174.060 174.299 -0.239 1
1 1214 . 14 1 1 A 95 95 VAL CA C 95 57.510 60.478 -2.968 1
1 1215 . 14 1 1 A 95 95 VAL CB C 95 35.106 33.581 1.525 1
1 1218 . 14 1 1 A 95 95 VAL N N 95 108.410 119.133 -10.723 1
1 1219 . 14 1 1 A 96 96 ASN H H 96 9.178 9.002 0.176 1
1 1220 . 14 1 1 A 96 96 ASN HA H 96 4.897 5.124 -0.227 1
1 1225 . 14 1 1 A 96 96 ASN C C 96 176.600 173.781 2.819 1
1 1226 . 14 1 1 A 96 96 ASN CA C 96 50.790 52.179 -1.389 1
1 1227 . 14 1 1 A 96 96 ASN CB C 96 39.637 41.433 -1.796 1
1 1228 . 14 1 1 A 96 96 ASN N N 96 121.250 119.600 1.650 1
1 1230 . 14 1 1 A 97 97 VAL H H 97 8.503 8.693 -0.190 1
1 1231 . 14 1 1 A 97 97 VAL HA H 97 4.421 4.499 -0.078 1
1 1239 . 14 1 1 A 97 97 VAL C C 97 176.450 176.687 -0.237 1
1 1240 . 14 1 1 A 97 97 VAL CA C 97 66.030 61.800 4.230 1
1 1241 . 14 1 1 A 97 97 VAL CB C 97 30.552 29.547 1.005 1
1 1244 . 14 1 1 A 97 97 VAL N N 97 129.670 125.860 3.810 1
1 1245 . 14 1 1 A 98 98 ILE H H 98 8.129 7.931 0.198 1
1 1246 . 14 1 1 A 98 98 ILE HA H 98 4.628 3.896 0.732 1
1 1256 . 14 1 1 A 98 98 ILE C C 98 174.270 176.017 -1.747 1
1 1257 . 14 1 1 A 98 98 ILE CA C 98 61.240 63.080 -1.840 1
1 1258 . 14 1 1 A 98 98 ILE CB C 98 39.812 37.703 2.109 1
1 1262 . 14 1 1 A 98 98 ILE N N 98 119.500 119.511 -0.011 1
1 1263 . 14 1 1 A 99 99 GLY H H 99 7.668 7.928 -0.260 1
1 1264 . 14 1 1 A 99 99 GLY HA2 H 99 4.435 4.160 0.275 1
1 1265 . 14 1 1 A 99 99 GLY HA3 H 99 4.637 4.167 0.470 1
1 1266 . 14 1 1 A 99 99 GLY C C 99 172.410 172.057 0.353 1
1 1267 . 14 1 1 A 99 99 GLY CA C 99 46.906 44.321 2.585 1
1 1268 . 14 1 1 A 99 99 GLY N N 99 107.230 110.557 -3.327 1
1 1269 . 14 1 1 A 100 100 LYS H H 100 8.347 8.799 -0.452 1
1 1270 . 14 1 1 A 100 100 LYS HA H 100 5.540 5.131 0.409 1
1 1279 . 14 1 1 A 100 100 LYS C C 100 175.740 175.228 0.512 1
1 1280 . 14 1 1 A 100 100 LYS CA C 100 54.150 54.732 -0.582 1
1 1281 . 14 1 1 A 100 100 LYS CB C 100 37.900 36.199 1.701 1
1 1285 . 14 1 1 A 100 100 LYS N N 100 119.730 121.324 -1.594 1
1 1286 . 14 1 1 A 101 101 ILE H H 101 9.542 8.965 0.577 1
1 1287 . 14 1 1 A 101 101 ILE HA H 101 4.184 4.208 -0.024 1
1 1297 . 14 1 1 A 101 101 ILE C C 101 176.010 175.883 0.127 1
1 1298 . 14 1 1 A 101 101 ILE CA C 101 62.940 61.642 1.298 1
1 1299 . 14 1 1 A 101 101 ILE CB C 101 39.212 36.988 2.224 1
1 1303 . 14 1 1 A 101 101 ILE N N 101 124.050 127.057 -3.007 1
1 1304 . 14 1 1 A 102 102 VAL H H 102 8.728 8.705 0.023 1
1 1305 . 14 1 1 A 102 102 VAL HA H 102 4.591 4.419 0.172 1
1 1313 . 14 1 1 A 102 102 VAL C C 102 175.730 175.475 0.255 1
1 1314 . 14 1 1 A 102 102 VAL CA C 102 62.030 62.854 -0.824 1
1 1315 . 14 1 1 A 102 102 VAL CB C 102 33.307 33.378 -0.071 1
1 1318 . 14 1 1 A 102 102 VAL N N 102 121.420 127.345 -5.925 1
1 1319 . 14 1 1 A 103 103 GLU H H 103 7.912 7.676 0.236 1
1 1320 . 14 1 1 A 103 103 GLU HA H 103 4.661 4.564 0.097 1
1 1325 . 14 1 1 A 103 103 GLU C C 103 176.520 175.996 0.524 1
1 1326 . 14 1 1 A 103 103 GLU CA C 103 56.550 55.368 1.182 1
1 1327 . 14 1 1 A 103 103 GLU CB C 103 34.180 33.257 0.923 1
1 1329 . 14 1 1 A 103 103 GLU N N 103 120.750 119.435 1.315 1
1 1330 . 14 1 1 A 104 104 GLY H H 104 8.934 8.790 0.144 1
1 1331 . 14 1 1 A 104 104 GLY HA2 H 104 3.932 3.946 -0.014 1
1 1332 . 14 1 1 A 104 104 GLY HA3 H 104 4.345 3.965 0.380 1
1 1333 . 14 1 1 A 104 104 GLY C C 104 175.230 174.396 0.834 1
1 1334 . 14 1 1 A 104 104 GLY CA C 104 46.616 46.700 -0.084 1
1 1335 . 14 1 1 A 104 104 GLY N N 104 111.140 111.417 -0.277 1
1 1336 . 14 1 1 A 105 105 LEU H H 105 8.158 7.890 0.268 1
1 1337 . 14 1 1 A 105 105 LEU HA H 105 3.702 4.435 -0.733 1
1 1347 . 14 1 1 A 105 105 LEU C C 105 179.250 178.753 0.497 1
1 1348 . 14 1 1 A 105 105 LEU CA C 105 59.400 56.632 2.768 1
1 1349 . 14 1 1 A 105 105 LEU CB C 105 42.743 43.465 -0.722 1
1 1353 . 14 1 1 A 105 105 LEU N N 105 121.390 121.195 0.195 1
1 1354 . 14 1 1 A 106 106 GLU H H 106 8.944 8.418 0.526 1
1 1355 . 14 1 1 A 106 106 GLU HA H 106 3.978 4.001 -0.023 1
1 1360 . 14 1 1 A 106 106 GLU C C 106 178.120 177.999 0.121 1
1 1361 . 14 1 1 A 106 106 GLU CA C 106 58.720 59.643 -0.923 1
1 1362 . 14 1 1 A 106 106 GLU CB C 106 28.920 29.165 -0.245 1
1 1364 . 14 1 1 A 106 106 GLU N N 106 113.860 119.537 -5.677 1
1 1365 . 14 1 1 A 107 107 ASP H H 107 7.538 8.184 -0.646 1
1 1366 . 14 1 1 A 107 107 ASP HA H 107 4.344 4.465 -0.121 1
1 1369 . 14 1 1 A 107 107 ASP C C 107 178.190 177.110 1.080 1
1 1370 . 14 1 1 A 107 107 ASP CA C 107 55.780 55.596 0.184 1
1 1371 . 14 1 1 A 107 107 ASP CB C 107 41.191 40.434 0.757 1
1 1372 . 14 1 1 A 107 107 ASP N N 107 119.620 119.580 0.040 1
1 1373 . 14 1 1 A 108 108 LEU H H 108 7.115 7.538 -0.423 1
1 1374 . 14 1 1 A 108 108 LEU HA H 108 3.357 3.776 -0.419 1
1 1384 . 14 1 1 A 108 108 LEU C C 108 177.920 179.171 -1.251 1
1 1385 . 14 1 1 A 108 108 LEU CA C 108 57.000 56.292 0.708 1
1 1386 . 14 1 1 A 108 108 LEU CB C 108 38.445 41.104 -2.659 1
1 1390 . 14 1 1 A 108 108 LEU N N 108 117.551 118.683 -1.132 1
1 1391 . 14 1 1 A 109 109 LYS H H 109 7.179 7.766 -0.587 1
1 1392 . 14 1 1 A 109 109 LYS HA H 109 3.879 4.426 -0.547 1
1 1401 . 14 1 1 A 109 109 LYS C C 109 176.650 177.852 -1.202 1
1 1402 . 14 1 1 A 109 109 LYS CA C 109 57.792 58.356 -0.564 1
1 1403 . 14 1 1 A 109 109 LYS CB C 109 32.184 32.134 0.050 1
1 1407 . 14 1 1 A 109 109 LYS N N 109 115.080 118.958 -3.878 1
1 1408 . 14 1 1 A 110 110 LYS H H 110 7.364 7.956 -0.592 1
1 1409 . 14 1 1 A 110 110 LYS HA H 110 4.016 4.453 -0.437 1
1 1418 . 14 1 1 A 110 110 LYS C C 110 175.890 176.471 -0.581 1
1 1419 . 14 1 1 A 110 110 LYS CA C 110 56.550 57.212 -0.662 1
1 1420 . 14 1 1 A 110 110 LYS CB C 110 32.972 32.061 0.911 1
1 1424 . 14 1 1 A 110 110 LYS N N 110 116.720 113.698 3.022 1
1 1425 . 14 1 1 A 111 111 ILE H H 111 6.626 7.210 -0.584 1
1 1426 . 14 1 1 A 111 111 ILE HA H 111 3.531 4.190 -0.659 1
1 1436 . 14 1 1 A 111 111 ILE C C 111 176.180 175.395 0.785 1
1 1437 . 14 1 1 A 111 111 ILE CA C 111 59.950 61.056 -1.106 1
1 1438 . 14 1 1 A 111 111 ILE CB C 111 34.946 37.771 -2.825 1
1 1442 . 14 1 1 A 111 111 ILE N N 111 117.000 122.464 -5.464 1
1 1443 . 14 1 1 A 112 112 LYS H H 112 8.388 8.834 -0.446 1
1 1444 . 14 1 1 A 112 112 LYS HA H 112 4.356 4.855 -0.499 1
1 1453 . 14 1 1 A 112 112 LYS C C 112 175.750 177.178 -1.428 1
1 1454 . 14 1 1 A 112 112 LYS CA C 112 54.430 54.210 0.220 1
1 1455 . 14 1 1 A 112 112 LYS CB C 112 33.936 35.642 -1.706 1
1 1459 . 14 1 1 A 112 112 LYS N N 112 128.240 123.084 5.156 1
1 1460 . 14 1 1 A 113 113 ASP H H 113 8.103 8.908 -0.805 1
1 1461 . 14 1 1 A 113 113 ASP HA H 113 4.026 4.902 -0.876 1
1 1464 . 14 1 1 A 113 113 ASP C C 113 177.630 176.620 1.010 1
1 1465 . 14 1 1 A 113 113 ASP CA C 113 56.660 53.677 2.983 1
1 1466 . 14 1 1 A 113 113 ASP CB C 113 42.033 41.490 0.543 1
1 1467 . 14 1 1 A 113 113 ASP N N 113 119.040 121.513 -2.473 1
1 1468 . 14 1 1 A 114 114 GLY H H 114 8.635 7.439 1.196 1
1 1469 . 14 1 1 A 114 114 GLY HA2 H 114 3.547 4.045 -0.498 1
1 1470 . 14 1 1 A 114 114 GLY HA3 H 114 4.229 4.051 0.178 1
1 1471 . 14 1 1 A 114 114 GLY C C 114 174.640 174.412 0.228 1
1 1472 . 14 1 1 A 114 114 GLY CA C 114 45.403 45.780 -0.377 1
1 1473 . 14 1 1 A 114 114 GLY N N 114 113.170 106.564 6.606 1
1 1474 . 14 1 1 A 115 115 GLU H H 115 7.346 8.138 -0.792 1
1 1475 . 14 1 1 A 115 115 GLU HA H 115 4.113 4.512 -0.399 1
1 1480 . 14 1 1 A 115 115 GLU C C 115 175.840 176.015 -0.175 1
1 1481 . 14 1 1 A 115 115 GLU CA C 115 58.180 55.087 3.093 1
1 1482 . 14 1 1 A 115 115 GLU CB C 115 30.902 29.249 1.653 1
1 1484 . 14 1 1 A 115 115 GLU N N 115 119.440 119.496 -0.056 1
1 1485 . 14 1 1 A 116 116 LYS H H 116 9.107 7.923 1.184 1
1 1486 . 14 1 1 A 116 116 LYS HA H 116 4.529 4.129 0.400 1
1 1495 . 14 1 1 A 116 116 LYS C C 116 176.050 175.062 0.988 1
1 1496 . 14 1 1 A 116 116 LYS CA C 116 56.820 56.877 -0.057 1
1 1497 . 14 1 1 A 116 116 LYS CB C 116 33.358 30.970 2.388 1
1 1501 . 14 1 1 A 116 116 LYS N N 116 121.800 115.685 6.115 1
1 1502 . 14 1 1 A 117 117 VAL H H 117 7.860 7.832 0.028 1
1 1503 . 14 1 1 A 117 117 VAL HA H 117 4.668 4.057 0.611 1
1 1511 . 14 1 1 A 117 117 VAL C C 117 171.630 174.661 -3.031 1
1 1512 . 14 1 1 A 117 117 VAL CA C 117 57.440 62.044 -4.604 1
1 1513 . 14 1 1 A 117 117 VAL CB C 117 34.614 31.946 2.668 1
1 1516 . 14 1 1 A 117 117 VAL N N 117 118.940 119.331 -0.391 1
1 1517 . 14 1 1 A 118 118 ALA H H 118 8.310 8.783 -0.473 1
1 1518 . 14 1 1 A 118 118 ALA HA H 118 4.506 4.892 -0.386 1
1 1522 . 14 1 1 A 118 118 ALA C C 118 174.660 175.430 -0.770 1
1 1523 . 14 1 1 A 118 118 ALA CA C 118 50.370 49.933 0.437 1
1 1524 . 14 1 1 A 118 118 ALA CB C 118 20.250 20.502 -0.252 1
1 1525 . 14 1 1 A 118 118 ALA N N 118 130.190 129.948 0.242 1
1 1526 . 14 1 1 A 119 119 VAL H H 119 8.295 8.718 -0.423 1
1 1527 . 14 1 1 A 119 119 VAL HA H 119 4.096 4.233 -0.137 1
1 1535 . 14 1 1 A 119 119 VAL C C 119 175.320 175.746 -0.426 1
1 1536 . 14 1 1 A 119 119 VAL CA C 119 61.570 61.473 0.097 1
1 1537 . 14 1 1 A 119 119 VAL CB C 119 31.445 31.329 0.116 1
1 1540 . 14 1 1 A 119 119 VAL N N 119 123.160 123.568 -0.408 1
1 1541 . 14 1 1 A 120 120 ARG H H 120 8.596 8.979 -0.383 1
1 1542 . 14 1 1 A 120 120 ARG HA H 120 4.534 4.578 -0.044 1
1 1550 . 14 1 1 A 120 120 ARG C C 120 175.260 176.419 -1.159 1
1 1551 . 14 1 1 A 120 120 ARG CA C 120 53.740 53.644 0.096 1
1 1552 . 14 1 1 A 120 120 ARG CB C 120 34.359 33.477 0.882 1
1 1555 . 14 1 1 A 120 120 ARG N N 120 123.692 127.115 -3.423 1
1 1557 . 14 1 1 A 121 121 PHE H H 121 8.585 8.782 -0.197 1
1 1558 . 14 1 1 A 121 121 PHE HA H 121 4.591 4.407 0.184 1
1 1566 . 14 1 1 A 121 121 PHE C C 121 176.430 175.600 0.830 1
1 1567 . 14 1 1 A 121 121 PHE CA C 121 60.370 57.835 2.535 1
1 1568 . 14 1 1 A 121 121 PHE CB C 121 38.713 38.961 -0.248 1
1 1572 . 14 1 1 A 121 121 PHE N N 121 120.110 120.632 -0.522 1
1 1573 . 14 1 1 A 122 122 ALA H H 122 7.896 7.919 -0.023 1
1 1574 . 14 1 1 A 122 122 ALA HA H 122 4.304 4.044 0.260 1
1 1578 . 14 1 1 A 122 122 ALA C C 122 177.430 177.003 0.427 1
1 1579 . 14 1 1 A 122 122 ALA CA C 122 52.050 54.393 -2.343 1
1 1580 . 14 1 1 A 122 122 ALA CB C 122 19.865 17.931 1.934 1
1 1581 . 14 1 1 A 122 122 ALA N N 122 123.820 121.753 2.067 1
1 1582 . 14 1 1 A 123 123 SER H H 123 8.675 8.563 0.112 1
1 1583 . 14 1 1 A 123 123 SER HA H 123 4.372 4.894 -0.522 1
1 1586 . 14 1 1 A 123 123 SER C C 123 173.630 173.753 -0.123 1
1 1587 . 14 1 1 A 123 123 SER CA C 123 58.750 57.276 1.474 1
1 1588 . 14 1 1 A 123 123 SER CB C 123 63.870 64.499 -0.629 1
1 1589 . 14 1 1 A 123 123 SER N N 123 117.330 113.578 3.752 1
1 14 . 15 1 1 A 2 2 ARG H H 2 9.247 8.712 0.535 1
1 15 . 15 1 1 A 2 2 ARG HA H 2 5.249 4.535 0.714 1
1 23 . 15 1 1 A 2 2 ARG C C 2 176.020 175.390 0.630 1
1 24 . 15 1 1 A 2 2 ARG CA C 2 56.360 56.719 -0.359 1
1 25 . 15 1 1 A 2 2 ARG CB C 2 31.953 31.540 0.413 1
1 28 . 15 1 1 A 2 2 ARG N N 2 129.420 126.399 3.021 1
1 30 . 15 1 1 A 3 3 VAL H H 3 9.361 8.708 0.653 1
1 31 . 15 1 1 A 3 3 VAL HA H 3 4.464 4.909 -0.445 1
1 39 . 15 1 1 A 3 3 VAL C C 3 173.160 174.227 -1.067 1
1 40 . 15 1 1 A 3 3 VAL CA C 3 61.330 61.352 -0.022 1
1 41 . 15 1 1 A 3 3 VAL CB C 3 36.251 35.044 1.207 1
1 44 . 15 1 1 A 3 3 VAL N N 3 126.750 120.626 6.124 1
1 45 . 15 1 1 A 4 4 GLU H H 4 9.294 9.183 0.111 1
1 46 . 15 1 1 A 4 4 GLU HA H 4 4.807 4.701 0.106 1
1 51 . 15 1 1 A 4 4 GLU C C 4 173.020 175.100 -2.080 1
1 52 . 15 1 1 A 4 4 GLU CA C 4 54.890 55.903 -1.013 1
1 53 . 15 1 1 A 4 4 GLU CB C 4 33.146 31.196 1.950 1
1 55 . 15 1 1 A 4 4 GLU N N 4 128.550 128.398 0.152 1
1 56 . 15 1 1 A 5 5 LEU H H 5 8.685 9.431 -0.746 1
1 57 . 15 1 1 A 5 5 LEU HA H 5 4.547 4.488 0.059 1
1 67 . 15 1 1 A 5 5 LEU C C 5 173.750 175.195 -1.445 1
1 68 . 15 1 1 A 5 5 LEU CA C 5 52.450 53.664 -1.214 1
1 69 . 15 1 1 A 5 5 LEU CB C 5 41.998 42.624 -0.626 1
1 73 . 15 1 1 A 5 5 LEU N N 5 124.490 126.719 -2.229 1
1 74 . 15 1 1 A 6 6 LEU H H 6 8.608 8.643 -0.035 1
1 75 . 15 1 1 A 6 6 LEU HA H 6 4.502 4.564 -0.062 1
1 85 . 15 1 1 A 6 6 LEU C C 6 176.550 175.007 1.543 1
1 86 . 15 1 1 A 6 6 LEU CA C 6 53.790 53.966 -0.176 1
1 87 . 15 1 1 A 6 6 LEU CB C 6 42.240 43.053 -0.813 1
1 91 . 15 1 1 A 6 6 LEU N N 6 123.330 125.267 -1.937 1
1 92 . 15 1 1 A 7 7 PHE H H 7 8.344 8.939 -0.595 1
1 93 . 15 1 1 A 7 7 PHE HA H 7 5.378 4.849 0.529 1
1 101 . 15 1 1 A 7 7 PHE C C 7 175.050 175.833 -0.783 1
1 102 . 15 1 1 A 7 7 PHE CA C 7 55.830 56.699 -0.869 1
1 103 . 15 1 1 A 7 7 PHE CB C 7 39.383 43.494 -4.111 1
1 108 . 15 1 1 A 7 7 PHE N N 7 125.190 121.280 3.910 1
1 109 . 15 1 1 A 8 8 GLU H H 8 8.226 8.844 -0.618 1
1 110 . 15 1 1 A 8 8 GLU HA H 8 4.266 4.274 -0.008 1
1 115 . 15 1 1 A 8 8 GLU C C 8 180.740 176.825 3.915 1
1 116 . 15 1 1 A 8 8 GLU CA C 8 59.530 58.289 1.241 1
1 117 . 15 1 1 A 8 8 GLU CB C 8 29.723 29.702 0.021 1
1 119 . 15 1 1 A 8 8 GLU N N 8 120.100 121.506 -1.406 1
1 120 . 15 1 1 A 9 9 SER H H 9 9.069 8.261 0.808 1
1 121 . 15 1 1 A 9 9 SER HA H 9 4.467 4.653 -0.186 1
1 124 . 15 1 1 A 9 9 SER C C 9 173.740 173.814 -0.074 1
1 125 . 15 1 1 A 9 9 SER CA C 9 58.600 57.805 0.795 1
1 126 . 15 1 1 A 9 9 SER CB C 9 63.120 64.580 -1.460 1
1 127 . 15 1 1 A 9 9 SER N N 9 112.770 114.549 -1.779 1
1 128 . 15 1 1 A 10 10 GLY H H 10 6.925 7.574 -0.649 1
1 129 . 15 1 1 A 10 10 GLY HA2 H 10 3.896 3.990 -0.094 1
1 130 . 15 1 1 A 10 10 GLY HA3 H 10 3.896 4.045 -0.149 1
1 131 . 15 1 1 A 10 10 GLY C C 10 170.040 171.232 -1.192 1
1 132 . 15 1 1 A 10 10 GLY CA C 10 45.466 46.102 -0.636 1
1 133 . 15 1 1 A 10 10 GLY N N 10 105.760 108.868 -3.108 1
1 134 . 15 1 1 A 11 11 LYS H H 11 9.071 9.277 -0.206 1
1 135 . 15 1 1 A 11 11 LYS HA H 11 5.484 5.605 -0.121 1
1 144 . 15 1 1 A 11 11 LYS C C 11 174.230 174.361 -0.131 1
1 145 . 15 1 1 A 11 11 LYS CA C 11 55.460 55.010 0.450 1
1 146 . 15 1 1 A 11 11 LYS CB C 11 36.408 36.617 -0.209 1
1 150 . 15 1 1 A 11 11 LYS N N 11 118.960 116.894 2.066 1
1 151 . 15 1 1 A 12 12 CYS H H 12 8.917 9.428 -0.511 1
1 152 . 15 1 1 A 12 12 CYS HA H 12 5.083 5.235 -0.152 1
1 155 . 15 1 1 A 12 12 CYS C C 12 171.760 172.661 -0.901 1
1 156 . 15 1 1 A 12 12 CYS CA C 12 56.770 56.464 0.306 1
1 157 . 15 1 1 A 12 12 CYS CB C 12 31.267 32.977 -1.710 1
1 158 . 15 1 1 A 12 12 CYS N N 12 115.700 119.178 -3.478 1
1 159 . 15 1 1 A 13 13 VAL H H 13 8.474 9.038 -0.564 1
1 160 . 15 1 1 A 13 13 VAL HA H 13 4.992 4.791 0.201 1
1 168 . 15 1 1 A 13 13 VAL C C 13 175.660 174.135 1.525 1
1 169 . 15 1 1 A 13 13 VAL CA C 13 61.490 59.552 1.938 1
1 170 . 15 1 1 A 13 13 VAL CB C 13 35.125 35.952 -0.827 1
1 173 . 15 1 1 A 13 13 VAL N N 13 120.490 120.811 -0.321 1
1 174 . 15 1 1 A 14 14 ILE H H 14 9.378 9.367 0.011 1
1 175 . 15 1 1 A 14 14 ILE HA H 14 5.335 5.197 0.138 1
1 185 . 15 1 1 A 14 14 ILE C C 14 172.570 173.925 -1.355 1
1 186 . 15 1 1 A 14 14 ILE CA C 14 58.540 59.349 -0.809 1
1 187 . 15 1 1 A 14 14 ILE CB C 14 40.755 41.082 -0.327 1
1 191 . 15 1 1 A 14 14 ILE N N 14 120.140 121.228 -1.088 1
1 192 . 15 1 1 A 15 15 ASP H H 15 9.295 9.254 0.041 1
1 193 . 15 1 1 A 15 15 ASP HA H 15 5.274 5.083 0.191 1
1 196 . 15 1 1 A 15 15 ASP C C 15 176.510 175.055 1.455 1
1 197 . 15 1 1 A 15 15 ASP CA C 15 53.050 53.539 -0.489 1
1 198 . 15 1 1 A 15 15 ASP CB C 15 44.007 42.040 1.967 1
1 199 . 15 1 1 A 15 15 ASP N N 15 123.200 126.717 -3.517 1
1 200 . 15 1 1 A 16 16 LEU H H 16 8.892 8.514 0.378 1
1 201 . 15 1 1 A 16 16 LEU HA H 16 4.981 5.417 -0.436 1
1 211 . 15 1 1 A 16 16 LEU C C 16 175.430 175.218 0.212 1
1 212 . 15 1 1 A 16 16 LEU CA C 16 53.040 53.459 -0.419 1
1 213 . 15 1 1 A 16 16 LEU CB C 16 45.782 45.488 0.294 1
1 217 . 15 1 1 A 16 16 LEU N N 16 123.620 126.981 -3.361 1
1 218 . 15 1 1 A 17 17 ASN H H 17 8.694 8.417 0.277 1
1 219 . 15 1 1 A 17 17 ASN HA H 17 4.632 4.952 -0.320 1
1 224 . 15 1 1 A 17 17 ASN C C 17 175.500 176.599 -1.099 1
1 225 . 15 1 1 A 17 17 ASN CA C 17 53.310 53.256 0.054 1
1 226 . 15 1 1 A 17 17 ASN CB C 17 38.508 40.586 -2.078 1
1 227 . 15 1 1 A 17 17 ASN N N 17 121.330 122.334 -1.004 1
1 229 . 15 1 1 A 18 18 GLU H H 18 8.793 9.251 -0.458 1
1 230 . 15 1 1 A 18 18 GLU HA H 18 3.736 4.317 -0.581 1
1 235 . 15 1 1 A 18 18 GLU C C 18 175.250 177.091 -1.841 1
1 236 . 15 1 1 A 18 18 GLU CA C 18 58.330 57.878 0.452 1
1 237 . 15 1 1 A 18 18 GLU CB C 18 29.947 29.419 0.528 1
1 239 . 15 1 1 A 18 18 GLU N N 18 124.750 126.667 -1.917 1
1 240 . 15 1 1 A 19 19 GLU H H 19 8.187 7.569 0.618 1
1 241 . 15 1 1 A 19 19 GLU HA H 19 3.885 4.270 -0.385 1
1 246 . 15 1 1 A 19 19 GLU C C 19 177.350 174.682 2.668 1
1 247 . 15 1 1 A 19 19 GLU CA C 19 57.730 56.446 1.284 1
1 248 . 15 1 1 A 19 19 GLU CB C 19 29.744 30.140 -0.396 1
1 250 . 15 1 1 A 19 19 GLU N N 19 117.280 117.305 -0.025 1
1 251 . 15 1 1 A 20 20 TYR H H 20 7.135 7.588 -0.453 1
1 252 . 15 1 1 A 20 20 TYR HA H 20 4.668 4.905 -0.237 1
1 259 . 15 1 1 A 20 20 TYR CA C 20 56.050 56.291 -0.241 1
1 260 . 15 1 1 A 20 20 TYR CB C 20 38.464 40.839 -2.375 1
1 263 . 15 1 1 A 20 20 TYR N N 20 117.730 119.888 -2.158 1
1 264 . 15 1 1 A 21 21 GLU H H 21 10.044 8.884 1.160 1
1 265 . 15 1 1 A 21 21 GLU HA H 21 3.807 3.912 -0.105 1
1 270 . 15 1 1 A 21 21 GLU C C 21 179.150 178.093 1.057 1
1 271 . 15 1 1 A 21 21 GLU CA C 21 60.640 60.035 0.605 1
1 272 . 15 1 1 A 21 21 GLU CB C 21 29.167 29.579 -0.412 1
1 274 . 15 1 1 A 21 21 GLU N N 21 129.480 125.000 4.480 1
1 275 . 15 1 1 A 22 22 VAL H H 22 9.539 8.091 1.448 1
1 276 . 15 1 1 A 22 22 VAL HA H 22 3.574 3.814 -0.240 1
1 284 . 15 1 1 A 22 22 VAL C C 22 175.490 177.708 -2.218 1
1 285 . 15 1 1 A 22 22 VAL CA C 22 64.470 65.330 -0.860 1
1 286 . 15 1 1 A 22 22 VAL CB C 22 30.858 31.117 -0.259 1
1 289 . 15 1 1 A 22 22 VAL N N 22 115.360 119.050 -3.690 1
1 290 . 15 1 1 A 23 23 VAL H H 23 6.843 8.059 -1.216 1
1 291 . 15 1 1 A 23 23 VAL HA H 23 3.387 3.687 -0.300 1
1 299 . 15 1 1 A 23 23 VAL C C 23 176.900 178.216 -1.316 1
1 300 . 15 1 1 A 23 23 VAL CA C 23 67.030 66.787 0.243 1
1 301 . 15 1 1 A 23 23 VAL CB C 23 31.499 31.714 -0.215 1
1 304 . 15 1 1 A 23 23 VAL N N 23 121.150 121.318 -0.168 1
1 305 . 15 1 1 A 24 24 LYS H H 24 7.533 7.914 -0.381 1
1 306 . 15 1 1 A 24 24 LYS HA H 24 3.851 3.976 -0.125 1
1 315 . 15 1 1 A 24 24 LYS C C 24 179.820 179.179 0.641 1
1 316 . 15 1 1 A 24 24 LYS CA C 24 60.480 59.639 0.841 1
1 317 . 15 1 1 A 24 24 LYS CB C 24 32.626 32.234 0.392 1
1 321 . 15 1 1 A 24 24 LYS N N 24 120.120 119.524 0.596 1
1 322 . 15 1 1 A 25 25 LEU H H 25 7.870 7.688 0.182 1
1 323 . 15 1 1 A 25 25 LEU HA H 25 4.097 4.273 -0.176 1
1 333 . 15 1 1 A 25 25 LEU C C 25 180.620 179.455 1.165 1
1 334 . 15 1 1 A 25 25 LEU CA C 25 57.440 57.236 0.204 1
1 335 . 15 1 1 A 25 25 LEU CB C 25 41.717 41.718 -0.001 1
1 339 . 15 1 1 A 25 25 LEU N N 25 117.260 118.920 -1.660 1
1 340 . 15 1 1 A 26 26 LEU H H 26 8.489 8.547 -0.058 1
1 341 . 15 1 1 A 26 26 LEU HA H 26 3.703 3.930 -0.227 1
1 351 . 15 1 1 A 26 26 LEU C C 26 178.820 179.236 -0.416 1
1 352 . 15 1 1 A 26 26 LEU CA C 26 58.310 57.593 0.717 1
1 353 . 15 1 1 A 26 26 LEU CB C 26 42.487 41.607 0.880 1
1 357 . 15 1 1 A 26 26 LEU N N 26 121.760 119.361 2.399 1
1 358 . 15 1 1 A 27 27 LYS H H 27 8.190 8.257 -0.067 1
1 359 . 15 1 1 A 27 27 LYS HA H 27 3.799 4.369 -0.570 1
1 368 . 15 1 1 A 27 27 LYS C C 27 177.470 178.827 -1.357 1
1 369 . 15 1 1 A 27 27 LYS CA C 27 60.480 59.437 1.043 1
1 370 . 15 1 1 A 27 27 LYS CB C 27 33.472 32.253 1.219 1
1 374 . 15 1 1 A 27 27 LYS N N 27 117.650 121.660 -4.010 1
1 375 . 15 1 1 A 28 28 GLU H H 28 6.841 7.932 -1.091 1
1 376 . 15 1 1 A 28 28 GLU HA H 28 4.238 4.240 -0.002 1
1 381 . 15 1 1 A 28 28 GLU C C 28 177.280 177.541 -0.261 1
1 382 . 15 1 1 A 28 28 GLU CA C 28 57.370 58.216 -0.846 1
1 383 . 15 1 1 A 28 28 GLU CB C 28 30.480 29.796 0.684 1
1 385 . 15 1 1 A 28 28 GLU N N 28 111.940 117.344 -5.404 1
1 386 . 15 1 1 A 29 29 LYS H H 29 7.577 7.999 -0.422 1
1 387 . 15 1 1 A 29 29 LYS HA H 29 4.414 4.478 -0.064 1
1 396 . 15 1 1 A 29 29 LYS C C 29 175.230 175.147 0.083 1
1 397 . 15 1 1 A 29 29 LYS CA C 29 53.800 55.002 -1.202 1
1 398 . 15 1 1 A 29 29 LYS CB C 29 33.530 32.877 0.653 1
1 402 . 15 1 1 A 29 29 LYS N N 29 115.460 117.801 -2.341 1
1 403 . 15 1 1 A 30 30 ILE H H 30 6.921 7.664 -0.743 1
1 404 . 15 1 1 A 30 30 ILE HA H 30 3.939 4.685 -0.746 1
1 414 . 15 1 1 A 30 30 ILE CA C 30 60.290 57.385 2.905 1
1 415 . 15 1 1 A 30 30 ILE CB C 30 39.967 40.796 -0.829 1
1 419 . 15 1 1 A 30 30 ILE N N 30 122.100 121.157 0.943 1
1 420 . 15 1 1 A 31 31 PRO HA H 31 4.840 4.545 0.295 1
1 427 . 15 1 1 A 31 31 PRO C C 31 175.340 176.361 -1.021 1
1 428 . 15 1 1 A 31 31 PRO CA C 31 62.720 62.628 0.092 1
1 429 . 15 1 1 A 31 31 PRO CB C 31 36.350 33.073 3.277 1
1 432 . 15 1 1 A 32 32 PHE H H 32 7.627 8.727 -1.100 1
1 433 . 15 1 1 A 32 32 PHE HA H 32 4.959 5.068 -0.109 1
1 441 . 15 1 1 A 32 32 PHE C C 32 171.870 172.411 -0.541 1
1 442 . 15 1 1 A 32 32 PHE CA C 32 56.300 55.834 0.466 1
1 443 . 15 1 1 A 32 32 PHE CB C 32 40.253 41.762 -1.509 1
1 447 . 15 1 1 A 32 32 PHE N N 32 112.880 117.266 -4.386 1
1 448 . 15 1 1 A 33 33 GLU H H 33 8.728 8.775 -0.047 1
1 449 . 15 1 1 A 33 33 GLU HA H 33 5.309 5.165 0.144 1
1 454 . 15 1 1 A 33 33 GLU C C 33 175.630 175.412 0.218 1
1 455 . 15 1 1 A 33 33 GLU CA C 33 54.450 54.918 -0.468 1
1 456 . 15 1 1 A 33 33 GLU CB C 33 33.814 32.410 1.404 1
1 458 . 15 1 1 A 33 33 GLU N N 33 118.710 120.105 -1.395 1
1 459 . 15 1 1 A 34 34 SER H H 34 8.964 8.486 0.478 1
1 460 . 15 1 1 A 34 34 SER HA H 34 4.803 4.894 -0.091 1
1 463 . 15 1 1 A 34 34 SER C C 34 174.560 172.061 2.499 1
1 464 . 15 1 1 A 34 34 SER CA C 34 55.830 55.860 -0.030 1
1 465 . 15 1 1 A 34 34 SER CB C 34 64.270 66.165 -1.895 1
1 466 . 15 1 1 A 34 34 SER N N 34 115.150 115.852 -0.702 1
1 467 . 15 1 1 A 35 35 VAL H H 35 8.322 8.353 -0.031 1
1 468 . 15 1 1 A 35 35 VAL HA H 35 4.724 4.064 0.660 1
1 476 . 15 1 1 A 35 35 VAL C C 35 174.950 175.594 -0.644 1
1 477 . 15 1 1 A 35 35 VAL CA C 35 61.350 62.506 -1.156 1
1 478 . 15 1 1 A 35 35 VAL CB C 35 35.676 32.662 3.014 1
1 481 . 15 1 1 A 35 35 VAL N N 35 121.700 123.956 -2.256 1
1 482 . 15 1 1 A 36 36 VAL H H 36 9.200 8.302 0.898 1
1 483 . 15 1 1 A 36 36 VAL HA H 36 3.999 4.721 -0.722 1
1 491 . 15 1 1 A 36 36 VAL C C 36 175.490 175.060 0.430 1
1 492 . 15 1 1 A 36 36 VAL CA C 36 63.900 61.104 2.796 1
1 493 . 15 1 1 A 36 36 VAL CB C 36 33.593 33.936 -0.343 1
1 496 . 15 1 1 A 36 36 VAL N N 36 123.870 126.892 -3.022 1
1 497 . 15 1 1 A 37 37 ASN H H 37 8.739 8.736 0.003 1
1 498 . 15 1 1 A 37 37 ASN HA H 37 5.276 5.389 -0.113 1
1 503 . 15 1 1 A 37 37 ASN C C 37 174.040 174.841 -0.801 1
1 504 . 15 1 1 A 37 37 ASN CA C 37 51.960 51.500 0.460 1
1 505 . 15 1 1 A 37 37 ASN CB C 37 41.996 40.544 1.452 1
1 506 . 15 1 1 A 37 37 ASN N N 37 123.895 125.478 -1.583 1
1 508 . 15 1 1 A 38 38 THR H H 38 8.703 9.138 -0.435 1
1 509 . 15 1 1 A 38 38 THR HA H 38 5.323 5.536 -0.213 1
1 514 . 15 1 1 A 38 38 THR C C 38 174.910 173.542 1.368 1
1 515 . 15 1 1 A 38 38 THR CA C 38 59.740 59.762 -0.022 1
1 516 . 15 1 1 A 38 38 THR CB C 38 71.332 72.035 -0.703 1
1 518 . 15 1 1 A 38 38 THR N N 38 111.440 110.214 1.226 1
1 519 . 15 1 1 A 39 39 TRP H H 39 8.489 9.159 -0.670 1
1 520 . 15 1 1 A 39 39 TRP HA H 39 4.838 4.974 -0.136 1
1 529 . 15 1 1 A 39 39 TRP C C 39 175.270 175.903 -0.633 1
1 530 . 15 1 1 A 39 39 TRP CA C 39 57.040 56.872 0.168 1
1 531 . 15 1 1 A 39 39 TRP CB C 39 29.089 30.938 -1.849 1
1 537 . 15 1 1 A 39 39 TRP N N 39 125.321 124.148 1.173 1
1 539 . 15 1 1 A 40 40 GLY H H 40 8.596 9.200 -0.604 1
1 540 . 15 1 1 A 40 40 GLY HA2 H 40 3.528 3.439 0.089 1
1 541 . 15 1 1 A 40 40 GLY HA3 H 40 3.465 3.675 -0.210 1
1 542 . 15 1 1 A 40 40 GLY CA C 40 47.619 46.540 1.079 1
1 543 . 15 1 1 A 40 40 GLY N N 40 113.220 115.490 -2.270 1
1 544 . 15 1 1 A 41 41 GLU H H 41 7.870 8.403 -0.533 1
1 545 . 15 1 1 A 41 41 GLU HA H 41 3.717 3.488 0.229 1
1 550 . 15 1 1 A 41 41 GLU C C 41 171.810 174.160 -2.350 1
1 551 . 15 1 1 A 41 41 GLU CA C 41 55.390 57.624 -2.234 1
1 552 . 15 1 1 A 41 41 GLU CB C 41 26.025 27.255 -1.230 1
1 554 . 15 1 1 A 41 41 GLU N N 41 128.227 110.490 17.737 1
1 555 . 15 1 1 A 42 42 GLU H H 42 7.158 7.694 -0.536 1
1 556 . 15 1 1 A 42 42 GLU HA H 42 4.811 5.003 -0.192 1
1 561 . 15 1 1 A 42 42 GLU C C 42 175.680 174.423 1.257 1
1 562 . 15 1 1 A 42 42 GLU CA C 42 53.860 55.069 -1.209 1
1 563 . 15 1 1 A 42 42 GLU CB C 42 31.149 33.710 -2.561 1
1 565 . 15 1 1 A 42 42 GLU N N 42 116.880 117.511 -0.631 1
1 566 . 15 1 1 A 43 43 ILE H H 43 8.226 8.335 -0.109 1
1 567 . 15 1 1 A 43 43 ILE HA H 43 4.934 5.372 -0.438 1
1 577 . 15 1 1 A 43 43 ILE C C 43 174.420 174.902 -0.482 1
1 578 . 15 1 1 A 43 43 ILE CA C 43 59.250 59.948 -0.698 1
1 579 . 15 1 1 A 43 43 ILE CB C 43 43.278 39.946 3.332 1
1 583 . 15 1 1 A 43 43 ILE N N 43 125.120 126.360 -1.240 1
1 584 . 15 1 1 A 44 44 TYR H H 44 9.318 9.164 0.154 1
1 585 . 15 1 1 A 44 44 TYR HA H 44 6.008 5.560 0.448 1
1 592 . 15 1 1 A 44 44 TYR C C 44 174.150 173.242 0.908 1
1 593 . 15 1 1 A 44 44 TYR CA C 44 55.740 55.539 0.201 1
1 594 . 15 1 1 A 44 44 TYR CB C 44 42.606 41.727 0.879 1
1 597 . 15 1 1 A 44 44 TYR N N 44 124.370 123.433 0.937 1
1 598 . 15 1 1 A 45 45 PHE H H 45 8.211 8.944 -0.733 1
1 599 . 15 1 1 A 45 45 PHE HA H 45 5.088 5.302 -0.214 1
1 607 . 15 1 1 A 45 45 PHE C C 45 173.730 172.497 1.233 1
1 608 . 15 1 1 A 45 45 PHE CA C 45 55.140 55.766 -0.626 1
1 609 . 15 1 1 A 45 45 PHE CB C 45 40.793 41.632 -0.839 1
1 613 . 15 1 1 A 45 45 PHE N N 45 114.110 117.145 -3.035 1
1 614 . 15 1 1 A 46 46 SER H H 46 9.523 8.950 0.573 1
1 615 . 15 1 1 A 46 46 SER HA H 46 4.316 4.911 -0.595 1
1 618 . 15 1 1 A 46 46 SER C C 46 174.360 174.049 0.311 1
1 619 . 15 1 1 A 46 46 SER CA C 46 59.960 57.024 2.936 1
1 620 . 15 1 1 A 46 46 SER CB C 46 63.980 63.286 0.694 1
1 621 . 15 1 1 A 46 46 SER N N 46 117.150 117.178 -0.028 1
1 622 . 15 1 1 A 47 47 THR H H 47 8.225 8.762 -0.537 1
1 623 . 15 1 1 A 47 47 THR HA H 47 4.971 4.730 0.241 1
1 628 . 15 1 1 A 47 47 THR CA C 47 59.160 60.589 -1.429 1
1 629 . 15 1 1 A 47 47 THR CB C 47 70.385 68.779 1.606 1
1 631 . 15 1 1 A 47 47 THR N N 47 113.910 119.591 -5.681 1
1 632 . 15 1 1 A 48 48 PRO HA H 48 4.585 4.466 0.119 1
1 639 . 15 1 1 A 48 48 PRO C C 48 175.940 176.287 -0.347 1
1 640 . 15 1 1 A 48 48 PRO CA C 48 62.410 63.968 -1.558 1
1 641 . 15 1 1 A 48 48 PRO CB C 48 31.770 31.881 -0.111 1
1 644 . 15 1 1 A 49 49 VAL H H 49 7.458 7.319 0.139 1
1 645 . 15 1 1 A 49 49 VAL HA H 49 4.178 4.089 0.089 1
1 653 . 15 1 1 A 49 49 VAL C C 49 174.070 175.062 -0.992 1
1 654 . 15 1 1 A 49 49 VAL CA C 49 60.840 61.772 -0.932 1
1 655 . 15 1 1 A 49 49 VAL CB C 49 34.134 32.828 1.306 1
1 658 . 15 1 1 A 49 49 VAL N N 49 114.800 117.811 -3.011 1
1 659 . 15 1 1 A 50 50 ASN H H 50 8.897 8.694 0.203 1
1 660 . 15 1 1 A 50 50 ASN HA H 50 4.684 5.593 -0.909 1
1 665 . 15 1 1 A 50 50 ASN C C 50 173.550 174.736 -1.186 1
1 666 . 15 1 1 A 50 50 ASN CA C 50 51.610 51.883 -0.273 1
1 667 . 15 1 1 A 50 50 ASN CB C 50 39.730 42.400 -2.670 1
1 668 . 15 1 1 A 50 50 ASN N N 50 126.400 125.489 0.911 1
1 670 . 15 1 1 A 51 51 VAL H H 51 7.587 8.920 -1.333 1
1 671 . 15 1 1 A 51 51 VAL HA H 51 4.148 4.994 -0.846 1
1 679 . 15 1 1 A 51 51 VAL C C 51 174.350 175.201 -0.851 1
1 680 . 15 1 1 A 51 51 VAL CA C 51 61.280 58.840 2.440 1
1 681 . 15 1 1 A 51 51 VAL CB C 51 35.206 36.526 -1.320 1
1 684 . 15 1 1 A 51 51 VAL N N 51 122.670 116.726 5.944 1
1 685 . 15 1 1 A 52 52 GLN H H 52 8.337 8.700 -0.363 1
1 686 . 15 1 1 A 52 52 GLN HA H 52 4.094 4.708 -0.614 1
1 693 . 15 1 1 A 52 52 GLN C C 52 176.240 175.091 1.149 1
1 694 . 15 1 1 A 52 52 GLN CA C 52 56.560 55.570 0.990 1
1 695 . 15 1 1 A 52 52 GLN CB C 52 29.745 30.023 -0.278 1
1 697 . 15 1 1 A 52 52 GLN N N 52 122.670 119.538 3.132 1
1 699 . 15 1 1 A 53 53 LYS H H 53 7.363 7.593 -0.230 1
1 700 . 15 1 1 A 53 53 LYS HA H 53 3.994 4.847 -0.853 1
1 709 . 15 1 1 A 53 53 LYS C C 53 176.010 175.373 0.637 1
1 710 . 15 1 1 A 53 53 LYS CA C 53 56.960 55.796 1.164 1
1 711 . 15 1 1 A 53 53 LYS CB C 53 33.000 34.157 -1.157 1
1 715 . 15 1 1 A 53 53 LYS N N 53 119.940 122.477 -2.537 1
1 716 . 15 1 1 A 54 54 MET H H 54 8.797 8.621 0.176 1
1 717 . 15 1 1 A 54 54 MET HA H 54 4.449 5.078 -0.629 1
1 725 . 15 1 1 A 54 54 MET C C 54 174.630 175.896 -1.266 1
1 726 . 15 1 1 A 54 54 MET CA C 54 54.530 53.665 0.865 1
1 727 . 15 1 1 A 54 54 MET CB C 54 36.912 34.663 2.249 1
1 730 . 15 1 1 A 54 54 MET N N 54 124.720 124.632 0.088 1
1 731 . 15 1 1 A 55 55 GLU H H 55 9.773 8.623 1.150 1
1 732 . 15 1 1 A 55 55 GLU HA H 55 4.029 4.300 -0.271 1
1 737 . 15 1 1 A 55 55 GLU C C 55 176.930 176.742 0.188 1
1 738 . 15 1 1 A 55 55 GLU CA C 55 59.910 58.052 1.858 1
1 739 . 15 1 1 A 55 55 GLU CB C 55 29.611 30.111 -0.500 1
1 741 . 15 1 1 A 55 55 GLU N N 55 124.250 123.277 0.973 1
1 742 . 15 1 1 A 56 56 ASN H H 56 8.371 7.903 0.468 1
1 743 . 15 1 1 A 56 56 ASN HA H 56 5.163 5.194 -0.031 1
1 748 . 15 1 1 A 56 56 ASN CA C 56 50.680 50.670 0.010 1
1 749 . 15 1 1 A 56 56 ASN CB C 56 39.563 39.152 0.411 1
1 750 . 15 1 1 A 56 56 ASN N N 56 115.600 118.639 -3.039 1
1 752 . 15 1 1 A 57 57 PRO HA H 57 4.854 4.942 -0.088 1
1 759 . 15 1 1 A 57 57 PRO C C 57 178.760 175.840 2.920 1
1 760 . 15 1 1 A 57 57 PRO CA C 57 62.630 62.701 -0.071 1
1 761 . 15 1 1 A 57 57 PRO CB C 57 32.197 31.870 0.327 1
1 764 . 15 1 1 A 58 58 ARG H H 58 9.448 8.641 0.807 1
1 765 . 15 1 1 A 58 58 ARG HA H 58 4.636 4.830 -0.194 1
1 773 . 15 1 1 A 58 58 ARG C C 58 175.430 176.220 -0.790 1
1 774 . 15 1 1 A 58 58 ARG CA C 58 54.210 54.695 -0.485 1
1 775 . 15 1 1 A 58 58 ARG CB C 58 34.208 33.140 1.068 1
1 778 . 15 1 1 A 58 58 ARG N N 58 122.690 124.609 -1.919 1
1 780 . 15 1 1 A 59 59 GLU H H 59 8.694 8.774 -0.080 1
1 781 . 15 1 1 A 59 59 GLU HA H 59 4.096 4.461 -0.365 1
1 786 . 15 1 1 A 59 59 GLU C C 59 175.210 176.004 -0.794 1
1 787 . 15 1 1 A 59 59 GLU CA C 59 56.470 57.103 -0.633 1
1 788 . 15 1 1 A 59 59 GLU CB C 59 31.074 30.265 0.809 1
1 790 . 15 1 1 A 59 59 GLU N N 59 119.520 122.319 -2.799 1
1 791 . 15 1 1 A 60 60 VAL H H 60 7.296 7.529 -0.233 1
1 792 . 15 1 1 A 60 60 VAL HA H 60 4.471 4.666 -0.195 1
1 800 . 15 1 1 A 60 60 VAL C C 60 174.900 173.554 1.346 1
1 801 . 15 1 1 A 60 60 VAL CA C 60 61.058 60.185 0.873 1
1 802 . 15 1 1 A 60 60 VAL CB C 60 35.056 34.560 0.496 1
1 805 . 15 1 1 A 60 60 VAL N N 60 117.380 117.500 -0.120 1
1 806 . 15 1 1 A 61 61 VAL H H 61 8.064 8.507 -0.443 1
1 807 . 15 1 1 A 61 61 VAL HA H 61 4.540 4.943 -0.403 1
1 815 . 15 1 1 A 61 61 VAL C C 61 172.880 174.805 -1.925 1
1 816 . 15 1 1 A 61 61 VAL CA C 61 58.820 58.853 -0.033 1
1 817 . 15 1 1 A 61 61 VAL CB C 61 33.464 36.292 -2.828 1
1 820 . 15 1 1 A 61 61 VAL N N 61 117.630 120.225 -2.595 1
1 821 . 15 1 1 A 62 62 GLU H H 62 8.620 8.710 -0.090 1
1 822 . 15 1 1 A 62 62 GLU HA H 62 4.543 4.684 -0.141 1
1 827 . 15 1 1 A 62 62 GLU C C 62 176.350 177.541 -1.191 1
1 828 . 15 1 1 A 62 62 GLU CA C 62 53.640 54.425 -0.785 1
1 829 . 15 1 1 A 62 62 GLU CB C 62 32.360 32.192 0.168 1
1 831 . 15 1 1 A 62 62 GLU N N 62 118.060 119.669 -1.609 1
1 832 . 15 1 1 A 63 63 ILE H H 63 8.520 8.483 0.037 1
1 833 . 15 1 1 A 63 63 ILE HA H 63 3.275 4.222 -0.947 1
1 843 . 15 1 1 A 63 63 ILE C C 63 177.940 176.111 1.829 1
1 844 . 15 1 1 A 63 63 ILE CA C 63 64.410 62.055 2.355 1
1 845 . 15 1 1 A 63 63 ILE CB C 63 37.674 37.660 0.014 1
1 849 . 15 1 1 A 63 63 ILE N N 63 120.310 121.640 -1.330 1
1 850 . 15 1 1 A 64 64 GLY H H 64 9.091 7.597 1.494 1
1 851 . 15 1 1 A 64 64 GLY HA2 H 64 3.563 4.193 -0.630 1
1 852 . 15 1 1 A 64 64 GLY HA3 H 64 4.774 4.240 0.534 1
1 853 . 15 1 1 A 64 64 GLY C C 64 173.290 173.415 -0.125 1
1 854 . 15 1 1 A 64 64 GLY CA C 64 45.359 45.771 -0.412 1
1 855 . 15 1 1 A 64 64 GLY N N 64 116.340 109.354 6.986 1
1 856 . 15 1 1 A 65 65 ASP H H 65 8.335 7.462 0.873 1
1 857 . 15 1 1 A 65 65 ASP HA H 65 4.914 5.192 -0.278 1
1 860 . 15 1 1 A 65 65 ASP C C 65 175.180 174.891 0.289 1
1 861 . 15 1 1 A 65 65 ASP CA C 65 56.630 53.317 3.313 1
1 862 . 15 1 1 A 65 65 ASP CB C 65 41.980 43.556 -1.576 1
1 863 . 15 1 1 A 65 65 ASP N N 65 121.610 120.125 1.485 1
1 864 . 15 1 1 A 66 66 VAL H H 66 7.580 8.212 -0.632 1
1 865 . 15 1 1 A 66 66 VAL HA H 66 5.085 5.171 -0.086 1
1 873 . 15 1 1 A 66 66 VAL C C 66 176.170 175.116 1.054 1
1 874 . 15 1 1 A 66 66 VAL CA C 66 60.240 60.401 -0.161 1
1 875 . 15 1 1 A 66 66 VAL CB C 66 33.783 36.287 -2.504 1
1 878 . 15 1 1 A 66 66 VAL N N 66 117.330 119.509 -2.179 1
1 879 . 15 1 1 A 67 67 GLY H H 67 9.592 8.269 1.323 1
1 880 . 15 1 1 A 67 67 GLY HA2 H 67 5.899 4.548 1.351 1
1 881 . 15 1 1 A 67 67 GLY HA3 H 67 3.200 4.644 -1.444 1
1 882 . 15 1 1 A 67 67 GLY C C 67 171.740 172.344 -0.604 1
1 883 . 15 1 1 A 67 67 GLY CA C 67 43.580 45.274 -1.694 1
1 884 . 15 1 1 A 67 67 GLY N N 67 111.440 111.942 -0.502 1
1 885 . 15 1 1 A 68 68 TYR H H 68 9.146 9.041 0.105 1
1 886 . 15 1 1 A 68 68 TYR HA H 68 5.809 5.790 0.019 1
1 889 . 15 1 1 A 68 68 TYR C C 68 173.860 173.519 0.341 1
1 890 . 15 1 1 A 68 68 TYR CA C 68 55.900 55.434 0.466 1
1 891 . 15 1 1 A 68 68 TYR CB C 68 42.170 41.960 0.210 1
1 892 . 15 1 1 A 68 68 TYR N N 68 119.980 115.559 4.421 1
1 893 . 15 1 1 A 69 69 TRP H H 69 9.213 8.947 0.266 1
1 894 . 15 1 1 A 69 69 TRP HA H 69 5.268 4.792 0.476 1
1 902 . 15 1 1 A 69 69 TRP CA C 69 53.390 55.275 -1.885 1
1 903 . 15 1 1 A 69 69 TRP CB C 69 30.442 30.392 0.050 1
1 908 . 15 1 1 A 69 69 TRP N N 69 132.150 124.605 7.545 1
1 910 . 15 1 1 A 70 70 PRO HA H 70 3.923 4.134 -0.211 1
1 917 . 15 1 1 A 70 70 PRO CA C 70 66.753 64.839 1.914 1
1 918 . 15 1 1 A 70 70 PRO CB C 70 30.054 31.637 -1.583 1
1 921 . 15 1 1 A 71 71 PRO HA H 71 3.716 4.031 -0.315 1
1 928 . 15 1 1 A 71 71 PRO CA C 71 65.803 64.721 1.082 1
1 929 . 15 1 1 A 71 71 PRO CB C 71 30.620 30.261 0.359 1
1 932 . 15 1 1 A 72 72 GLY HA2 H 72 3.168 3.835 -0.667 1
1 933 . 15 1 1 A 72 72 GLY HA3 H 72 4.271 3.859 0.412 1
1 934 . 15 1 1 A 72 72 GLY C C 72 173.220 173.062 0.158 1
1 935 . 15 1 1 A 72 72 GLY CA C 72 44.350 44.875 -0.525 1
1 936 . 15 1 1 A 73 73 LYS H H 73 7.989 7.394 0.595 1
1 937 . 15 1 1 A 73 73 LYS HA H 73 3.566 3.850 -0.284 1
1 946 . 15 1 1 A 73 73 LYS C C 73 177.420 175.064 2.356 1
1 947 . 15 1 1 A 73 73 LYS CA C 73 57.790 57.055 0.735 1
1 948 . 15 1 1 A 73 73 LYS CB C 73 29.398 30.328 -0.930 1
1 952 . 15 1 1 A 73 73 LYS N N 73 121.515 115.347 6.168 1
1 953 . 15 1 1 A 74 74 ALA H H 74 6.969 7.554 -0.585 1
1 954 . 15 1 1 A 74 74 ALA HA H 74 5.123 5.218 -0.095 1
1 958 . 15 1 1 A 74 74 ALA C C 74 177.490 175.260 2.230 1
1 959 . 15 1 1 A 74 74 ALA CA C 74 51.900 50.934 0.966 1
1 960 . 15 1 1 A 74 74 ALA CB C 74 23.090 23.471 -0.381 1
1 961 . 15 1 1 A 74 74 ALA N N 74 118.780 119.335 -0.555 1
1 962 . 15 1 1 A 75 75 LEU H H 75 8.032 8.018 0.014 1
1 963 . 15 1 1 A 75 75 LEU HA H 75 4.844 4.369 0.475 1
1 973 . 15 1 1 A 75 75 LEU C C 75 175.540 175.590 -0.050 1
1 974 . 15 1 1 A 75 75 LEU CA C 75 54.000 54.517 -0.517 1
1 975 . 15 1 1 A 75 75 LEU CB C 75 43.858 42.484 1.374 1
1 979 . 15 1 1 A 75 75 LEU N N 75 122.780 122.274 0.506 1
1 980 . 15 1 1 A 76 76 CYS H H 76 8.813 8.103 0.710 1
1 981 . 15 1 1 A 76 76 CYS HA H 76 5.178 5.110 0.068 1
1 984 . 15 1 1 A 76 76 CYS C C 76 173.080 172.943 0.137 1
1 985 . 15 1 1 A 76 76 CYS CA C 76 55.850 57.639 -1.789 1
1 986 . 15 1 1 A 76 76 CYS CB C 76 31.922 32.413 -0.491 1
1 987 . 15 1 1 A 76 76 CYS N N 76 117.950 120.574 -2.624 1
1 988 . 15 1 1 A 77 77 LEU H H 77 9.621 8.367 1.254 1
1 989 . 15 1 1 A 77 77 LEU HA H 77 4.741 4.973 -0.232 1
1 999 . 15 1 1 A 77 77 LEU C C 77 175.040 175.502 -0.462 1
1 1000 . 15 1 1 A 77 77 LEU CA C 77 53.510 54.066 -0.556 1
1 1001 . 15 1 1 A 77 77 LEU CB C 77 44.058 44.911 -0.853 1
1 1005 . 15 1 1 A 77 77 LEU N N 77 123.140 122.753 0.387 1
1 1006 . 15 1 1 A 78 78 PHE H H 78 7.930 8.720 -0.790 1
1 1007 . 15 1 1 A 78 78 PHE HA H 78 4.809 5.073 -0.264 1
1 1015 . 15 1 1 A 78 78 PHE C C 78 174.830 176.222 -1.392 1
1 1016 . 15 1 1 A 78 78 PHE CA C 78 58.140 56.320 1.820 1
1 1017 . 15 1 1 A 78 78 PHE CB C 78 39.603 39.923 -0.320 1
1 1021 . 15 1 1 A 78 78 PHE N N 78 120.120 124.362 -4.242 1
1 1022 . 15 1 1 A 79 79 PHE H H 79 8.038 8.117 -0.079 1
1 1023 . 15 1 1 A 79 79 PHE HA H 79 5.029 5.006 0.023 1
1 1031 . 15 1 1 A 79 79 PHE C C 79 172.070 175.030 -2.960 1
1 1032 . 15 1 1 A 79 79 PHE CA C 79 55.630 56.405 -0.775 1
1 1033 . 15 1 1 A 79 79 PHE CB C 79 39.003 39.835 -0.832 1
1 1037 . 15 1 1 A 79 79 PHE N N 79 119.040 118.811 0.229 1
1 1038 . 15 1 1 A 80 80 GLY H H 80 7.489 7.375 0.114 1
1 1039 . 15 1 1 A 80 80 GLY HA2 H 80 3.653 4.047 -0.394 1
1 1040 . 15 1 1 A 80 80 GLY HA3 H 80 4.283 4.080 0.203 1
1 1041 . 15 1 1 A 80 80 GLY C C 80 170.830 174.276 -3.446 1
1 1042 . 15 1 1 A 80 80 GLY CA C 80 45.342 45.204 0.138 1
1 1043 . 15 1 1 A 80 80 GLY N N 80 110.010 107.741 2.269 1
1 1044 . 15 1 1 A 81 81 LYS H H 81 8.186 8.153 0.033 1
1 1045 . 15 1 1 A 81 81 LYS HA H 81 4.003 4.349 -0.346 1
1 1054 . 15 1 1 A 81 81 LYS C C 81 177.530 174.592 2.938 1
1 1055 . 15 1 1 A 81 81 LYS CA C 81 57.730 56.534 1.196 1
1 1056 . 15 1 1 A 81 81 LYS CB C 81 33.293 32.607 0.686 1
1 1060 . 15 1 1 A 81 81 LYS N N 81 117.260 118.466 -1.206 1
1 1061 . 15 1 1 A 82 82 THR H H 82 8.076 8.313 -0.237 1
1 1062 . 15 1 1 A 82 82 THR HA H 82 4.423 5.042 -0.619 1
1 1067 . 15 1 1 A 82 82 THR CA C 82 59.230 58.806 0.424 1
1 1068 . 15 1 1 A 82 82 THR CB C 82 68.310 70.763 -2.453 1
1 1070 . 15 1 1 A 82 82 THR N N 82 113.611 112.452 1.159 1
1 1071 . 15 1 1 A 83 83 PRO HA H 83 4.090 4.301 -0.211 1
1 1078 . 15 1 1 A 83 83 PRO CA C 83 63.743 63.892 -0.149 1
1 1079 . 15 1 1 A 83 83 PRO CB C 83 32.167 31.275 0.892 1
1 1082 . 15 1 1 A 84 84 MET HA H 84 4.220 4.743 -0.523 1
1 1090 . 15 1 1 A 84 84 MET C C 84 175.920 174.921 0.999 1
1 1091 . 15 1 1 A 84 84 MET CA C 84 55.880 54.186 1.694 1
1 1092 . 15 1 1 A 84 84 MET CB C 84 33.070 33.280 -0.210 1
1 1095 . 15 1 1 A 85 85 SER H H 85 7.256 7.647 -0.391 1
1 1096 . 15 1 1 A 85 85 SER HA H 85 4.401 4.702 -0.301 1
1 1099 . 15 1 1 A 85 85 SER C C 85 173.380 172.277 1.103 1
1 1100 . 15 1 1 A 85 85 SER CA C 85 58.230 56.629 1.601 1
1 1101 . 15 1 1 A 85 85 SER CB C 85 64.290 64.448 -0.158 1
1 1102 . 15 1 1 A 85 85 SER N N 85 111.370 117.925 -6.555 1
1 1103 . 15 1 1 A 86 86 ASP H H 86 8.517 8.924 -0.407 1
1 1104 . 15 1 1 A 86 86 ASP HA H 86 4.692 4.888 -0.196 1
1 1107 . 15 1 1 A 86 86 ASP C C 86 175.860 176.585 -0.725 1
1 1108 . 15 1 1 A 86 86 ASP CA C 86 54.150 55.245 -1.095 1
1 1109 . 15 1 1 A 86 86 ASP CB C 86 41.360 43.699 -2.339 1
1 1110 . 15 1 1 A 86 86 ASP N N 86 123.320 122.632 0.688 1
1 1111 . 15 1 1 A 87 87 ASP H H 87 8.412 8.612 -0.200 1
1 1112 . 15 1 1 A 87 87 ASP HA H 87 4.529 4.567 -0.038 1
1 1115 . 15 1 1 A 87 87 ASP C C 87 175.270 176.564 -1.294 1
1 1116 . 15 1 1 A 87 87 ASP CA C 87 54.870 56.337 -1.467 1
1 1117 . 15 1 1 A 87 87 ASP CB C 87 41.580 42.410 -0.830 1
1 1118 . 15 1 1 A 87 87 ASP N N 87 118.900 117.197 1.703 1
1 1119 . 15 1 1 A 88 88 LYS H H 88 7.869 7.184 0.685 1
1 1120 . 15 1 1 A 88 88 LYS HA H 88 4.372 4.614 -0.242 1
1 1129 . 15 1 1 A 88 88 LYS C C 88 174.870 174.814 0.056 1
1 1130 . 15 1 1 A 88 88 LYS CA C 88 54.580 55.013 -0.433 1
1 1131 . 15 1 1 A 88 88 LYS CB C 88 34.047 33.178 0.869 1
1 1135 . 15 1 1 A 88 88 LYS N N 88 118.310 112.974 5.336 1
1 1136 . 15 1 1 A 89 89 ILE H H 89 8.604 8.739 -0.135 1
1 1137 . 15 1 1 A 89 89 ILE HA H 89 3.873 4.462 -0.589 1
1 1147 . 15 1 1 A 89 89 ILE C C 89 174.480 175.052 -0.572 1
1 1148 . 15 1 1 A 89 89 ILE CA C 89 61.890 60.802 1.088 1
1 1149 . 15 1 1 A 89 89 ILE CB C 89 36.398 37.168 -0.770 1
1 1153 . 15 1 1 A 89 89 ILE N N 89 121.510 120.827 0.683 1
1 1154 . 15 1 1 A 90 90 GLN H H 90 8.015 8.289 -0.274 1
1 1155 . 15 1 1 A 90 90 GLN HA H 90 5.033 4.695 0.338 1
1 1162 . 15 1 1 A 90 90 GLN CA C 90 52.110 53.894 -1.784 1
1 1163 . 15 1 1 A 90 90 GLN CB C 90 32.045 28.266 3.779 1
1 1165 . 15 1 1 A 90 90 GLN N N 90 126.430 125.391 1.039 1
1 1167 . 15 1 1 A 91 91 PRO HA H 91 4.508 4.897 -0.389 1
1 1174 . 15 1 1 A 91 91 PRO C C 91 175.210 177.235 -2.025 1
1 1175 . 15 1 1 A 91 91 PRO CA C 91 61.680 62.198 -0.518 1
1 1176 . 15 1 1 A 91 91 PRO CB C 91 32.854 33.090 -0.236 1
1 1179 . 15 1 1 A 92 92 ALA H H 92 8.014 8.607 -0.593 1
1 1180 . 15 1 1 A 92 92 ALA HA H 92 3.931 4.150 -0.219 1
1 1184 . 15 1 1 A 92 92 ALA CA C 92 55.270 54.257 1.013 1
1 1185 . 15 1 1 A 92 92 ALA CB C 92 18.838 18.408 0.430 1
1 1186 . 15 1 1 A 92 92 ALA N N 92 121.420 123.281 -1.861 1
1 1187 . 15 1 1 A 93 93 SER H H 93 7.391 8.010 -0.619 1
1 1188 . 15 1 1 A 93 93 SER HA H 93 4.223 4.826 -0.603 1
1 1191 . 15 1 1 A 93 93 SER C C 93 171.670 174.240 -2.570 1
1 1192 . 15 1 1 A 93 93 SER CA C 93 57.240 57.640 -0.400 1
1 1193 . 15 1 1 A 93 93 SER CB C 93 63.620 65.038 -1.418 1
1 1194 . 15 1 1 A 93 93 SER N N 93 105.210 113.668 -8.458 1
1 1195 . 15 1 1 A 94 94 ALA H H 94 8.276 7.985 0.291 1
1 1196 . 15 1 1 A 94 94 ALA HA H 94 4.113 4.137 -0.024 1
1 1200 . 15 1 1 A 94 94 ALA C C 94 177.150 176.462 0.688 1
1 1201 . 15 1 1 A 94 94 ALA CA C 94 53.810 52.803 1.007 1
1 1202 . 15 1 1 A 94 94 ALA CB C 94 19.219 17.588 1.631 1
1 1203 . 15 1 1 A 94 94 ALA N N 94 117.972 121.877 -3.905 1
1 1204 . 15 1 1 A 95 95 VAL H H 95 7.886 7.831 0.055 1
1 1205 . 15 1 1 A 95 95 VAL HA H 95 5.037 4.354 0.683 1
1 1213 . 15 1 1 A 95 95 VAL C C 95 174.060 174.924 -0.864 1
1 1214 . 15 1 1 A 95 95 VAL CA C 95 57.510 61.605 -4.095 1
1 1215 . 15 1 1 A 95 95 VAL CB C 95 35.106 33.222 1.884 1
1 1218 . 15 1 1 A 95 95 VAL N N 95 108.410 114.109 -5.699 1
1 1219 . 15 1 1 A 96 96 ASN H H 96 9.178 8.969 0.209 1
1 1220 . 15 1 1 A 96 96 ASN HA H 96 4.897 5.594 -0.697 1
1 1225 . 15 1 1 A 96 96 ASN C C 96 176.600 174.305 2.295 1
1 1226 . 15 1 1 A 96 96 ASN CA C 96 50.790 51.555 -0.765 1
1 1227 . 15 1 1 A 96 96 ASN CB C 96 39.637 41.690 -2.053 1
1 1228 . 15 1 1 A 96 96 ASN N N 96 121.250 120.149 1.101 1
1 1230 . 15 1 1 A 97 97 VAL H H 97 8.503 9.075 -0.572 1
1 1231 . 15 1 1 A 97 97 VAL HA H 97 4.421 4.535 -0.114 1
1 1239 . 15 1 1 A 97 97 VAL C C 97 176.450 176.883 -0.433 1
1 1240 . 15 1 1 A 97 97 VAL CA C 97 66.030 61.985 4.045 1
1 1241 . 15 1 1 A 97 97 VAL CB C 97 30.552 30.069 0.483 1
1 1244 . 15 1 1 A 97 97 VAL N N 97 129.670 125.998 3.672 1
1 1245 . 15 1 1 A 98 98 ILE H H 98 8.129 7.973 0.156 1
1 1246 . 15 1 1 A 98 98 ILE HA H 98 4.628 3.829 0.799 1
1 1256 . 15 1 1 A 98 98 ILE C C 98 174.270 175.996 -1.726 1
1 1257 . 15 1 1 A 98 98 ILE CA C 98 61.240 63.501 -2.261 1
1 1258 . 15 1 1 A 98 98 ILE CB C 98 39.812 37.584 2.228 1
1 1262 . 15 1 1 A 98 98 ILE N N 98 119.500 120.419 -0.919 1
1 1263 . 15 1 1 A 99 99 GLY H H 99 7.668 7.933 -0.265 1
1 1264 . 15 1 1 A 99 99 GLY HA2 H 99 4.435 4.169 0.266 1
1 1265 . 15 1 1 A 99 99 GLY HA3 H 99 4.637 4.173 0.464 1
1 1266 . 15 1 1 A 99 99 GLY C C 99 172.410 172.152 0.258 1
1 1267 . 15 1 1 A 99 99 GLY CA C 99 46.906 44.325 2.581 1
1 1268 . 15 1 1 A 99 99 GLY N N 99 107.230 110.686 -3.456 1
1 1269 . 15 1 1 A 100 100 LYS H H 100 8.347 8.609 -0.262 1
1 1270 . 15 1 1 A 100 100 LYS HA H 100 5.540 5.052 0.488 1
1 1279 . 15 1 1 A 100 100 LYS C C 100 175.740 174.803 0.937 1
1 1280 . 15 1 1 A 100 100 LYS CA C 100 54.150 54.773 -0.623 1
1 1281 . 15 1 1 A 100 100 LYS CB C 100 37.900 36.148 1.752 1
1 1285 . 15 1 1 A 100 100 LYS N N 100 119.730 120.930 -1.200 1
1 1286 . 15 1 1 A 101 101 ILE H H 101 9.542 9.125 0.417 1
1 1287 . 15 1 1 A 101 101 ILE HA H 101 4.184 4.327 -0.143 1
1 1297 . 15 1 1 A 101 101 ILE C C 101 176.010 177.138 -1.128 1
1 1298 . 15 1 1 A 101 101 ILE CA C 101 62.940 61.640 1.300 1
1 1299 . 15 1 1 A 101 101 ILE CB C 101 39.212 36.626 2.586 1
1 1303 . 15 1 1 A 101 101 ILE N N 101 124.050 127.760 -3.710 1
1 1304 . 15 1 1 A 102 102 VAL H H 102 8.728 8.143 0.585 1
1 1305 . 15 1 1 A 102 102 VAL HA H 102 4.591 3.969 0.622 1
1 1313 . 15 1 1 A 102 102 VAL C C 102 175.730 175.887 -0.157 1
1 1314 . 15 1 1 A 102 102 VAL CA C 102 62.030 64.861 -2.831 1
1 1315 . 15 1 1 A 102 102 VAL CB C 102 33.307 31.930 1.377 1
1 1318 . 15 1 1 A 102 102 VAL N N 102 121.420 125.344 -3.924 1
1 1319 . 15 1 1 A 103 103 GLU H H 103 7.912 8.067 -0.155 1
1 1320 . 15 1 1 A 103 103 GLU HA H 103 4.661 4.568 0.093 1
1 1325 . 15 1 1 A 103 103 GLU C C 103 176.520 176.416 0.104 1
1 1326 . 15 1 1 A 103 103 GLU CA C 103 56.550 55.023 1.527 1
1 1327 . 15 1 1 A 103 103 GLU CB C 103 34.180 32.974 1.206 1
1 1329 . 15 1 1 A 103 103 GLU N N 103 120.750 120.184 0.566 1
1 1330 . 15 1 1 A 104 104 GLY H H 104 8.934 8.857 0.077 1
1 1331 . 15 1 1 A 104 104 GLY HA2 H 104 3.932 3.931 0.001 1
1 1332 . 15 1 1 A 104 104 GLY HA3 H 104 4.345 3.956 0.389 1
1 1333 . 15 1 1 A 104 104 GLY C C 104 175.230 174.590 0.640 1
1 1334 . 15 1 1 A 104 104 GLY CA C 104 46.616 46.881 -0.265 1
1 1335 . 15 1 1 A 104 104 GLY N N 104 111.140 111.978 -0.838 1
1 1336 . 15 1 1 A 105 105 LEU H H 105 8.158 7.867 0.291 1
1 1337 . 15 1 1 A 105 105 LEU HA H 105 3.702 4.485 -0.783 1
1 1347 . 15 1 1 A 105 105 LEU C C 105 179.250 178.268 0.982 1
1 1348 . 15 1 1 A 105 105 LEU CA C 105 59.400 56.896 2.504 1
1 1349 . 15 1 1 A 105 105 LEU CB C 105 42.743 43.226 -0.483 1
1 1353 . 15 1 1 A 105 105 LEU N N 105 121.390 121.041 0.349 1
1 1354 . 15 1 1 A 106 106 GLU H H 106 8.944 8.265 0.679 1
1 1355 . 15 1 1 A 106 106 GLU HA H 106 3.978 4.184 -0.206 1
1 1360 . 15 1 1 A 106 106 GLU C C 106 178.120 177.367 0.753 1
1 1361 . 15 1 1 A 106 106 GLU CA C 106 58.720 58.102 0.618 1
1 1362 . 15 1 1 A 106 106 GLU CB C 106 28.920 29.656 -0.736 1
1 1364 . 15 1 1 A 106 106 GLU N N 106 113.860 117.599 -3.739 1
1 1365 . 15 1 1 A 107 107 ASP H H 107 7.538 8.270 -0.732 1
1 1366 . 15 1 1 A 107 107 ASP HA H 107 4.344 4.326 0.018 1
1 1369 . 15 1 1 A 107 107 ASP C C 107 178.190 177.354 0.836 1
1 1370 . 15 1 1 A 107 107 ASP CA C 107 55.780 55.379 0.401 1
1 1371 . 15 1 1 A 107 107 ASP CB C 107 41.191 39.747 1.444 1
1 1372 . 15 1 1 A 107 107 ASP N N 107 119.620 119.891 -0.271 1
1 1373 . 15 1 1 A 108 108 LEU H H 108 7.115 7.624 -0.509 1
1 1374 . 15 1 1 A 108 108 LEU HA H 108 3.357 3.536 -0.179 1
1 1384 . 15 1 1 A 108 108 LEU C C 108 177.920 178.281 -0.361 1
1 1385 . 15 1 1 A 108 108 LEU CA C 108 57.000 56.700 0.300 1
1 1386 . 15 1 1 A 108 108 LEU CB C 108 38.445 40.190 -1.745 1
1 1390 . 15 1 1 A 108 108 LEU N N 108 117.551 119.824 -2.273 1
1 1391 . 15 1 1 A 109 109 LYS H H 109 7.179 7.840 -0.661 1
1 1392 . 15 1 1 A 109 109 LYS HA H 109 3.879 4.283 -0.404 1
1 1401 . 15 1 1 A 109 109 LYS C C 109 176.650 177.891 -1.241 1
1 1402 . 15 1 1 A 109 109 LYS CA C 109 57.792 58.344 -0.552 1
1 1403 . 15 1 1 A 109 109 LYS CB C 109 32.184 32.206 -0.022 1
1 1407 . 15 1 1 A 109 109 LYS N N 109 115.080 119.555 -4.475 1
1 1408 . 15 1 1 A 110 110 LYS H H 110 7.364 7.704 -0.340 1
1 1409 . 15 1 1 A 110 110 LYS HA H 110 4.016 4.279 -0.263 1
1 1418 . 15 1 1 A 110 110 LYS C C 110 175.890 177.132 -1.242 1
1 1419 . 15 1 1 A 110 110 LYS CA C 110 56.550 57.076 -0.526 1
1 1420 . 15 1 1 A 110 110 LYS CB C 110 32.972 33.048 -0.076 1
1 1424 . 15 1 1 A 110 110 LYS N N 110 116.720 116.219 0.501 1
1 1425 . 15 1 1 A 111 111 ILE H H 111 6.626 7.283 -0.657 1
1 1426 . 15 1 1 A 111 111 ILE HA H 111 3.531 3.966 -0.435 1
1 1436 . 15 1 1 A 111 111 ILE C C 111 176.180 175.614 0.566 1
1 1437 . 15 1 1 A 111 111 ILE CA C 111 59.950 61.362 -1.412 1
1 1438 . 15 1 1 A 111 111 ILE CB C 111 34.946 37.816 -2.870 1
1 1442 . 15 1 1 A 111 111 ILE N N 111 117.000 120.883 -3.883 1
1 1443 . 15 1 1 A 112 112 LYS H H 112 8.388 8.569 -0.181 1
1 1444 . 15 1 1 A 112 112 LYS HA H 112 4.356 4.815 -0.459 1
1 1453 . 15 1 1 A 112 112 LYS C C 112 175.750 176.966 -1.216 1
1 1454 . 15 1 1 A 112 112 LYS CA C 112 54.430 54.218 0.212 1
1 1455 . 15 1 1 A 112 112 LYS CB C 112 33.936 35.153 -1.217 1
1 1459 . 15 1 1 A 112 112 LYS N N 112 128.240 123.601 4.639 1
1 1460 . 15 1 1 A 113 113 ASP H H 113 8.103 8.903 -0.800 1
1 1461 . 15 1 1 A 113 113 ASP HA H 113 4.026 4.679 -0.653 1
1 1464 . 15 1 1 A 113 113 ASP C C 113 177.630 176.329 1.301 1
1 1465 . 15 1 1 A 113 113 ASP CA C 113 56.660 53.558 3.102 1
1 1466 . 15 1 1 A 113 113 ASP CB C 113 42.033 40.606 1.427 1
1 1467 . 15 1 1 A 113 113 ASP N N 113 119.040 121.451 -2.411 1
1 1468 . 15 1 1 A 114 114 GLY H H 114 8.635 7.423 1.212 1
1 1469 . 15 1 1 A 114 114 GLY HA2 H 114 3.547 4.092 -0.545 1
1 1470 . 15 1 1 A 114 114 GLY HA3 H 114 4.229 4.098 0.131 1
1 1471 . 15 1 1 A 114 114 GLY C C 114 174.640 174.622 0.018 1
1 1472 . 15 1 1 A 114 114 GLY CA C 114 45.403 45.666 -0.263 1
1 1473 . 15 1 1 A 114 114 GLY N N 114 113.170 106.279 6.891 1
1 1474 . 15 1 1 A 115 115 GLU H H 115 7.346 8.400 -1.054 1
1 1475 . 15 1 1 A 115 115 GLU HA H 115 4.113 4.519 -0.406 1
1 1480 . 15 1 1 A 115 115 GLU C C 115 175.840 176.436 -0.596 1
1 1481 . 15 1 1 A 115 115 GLU CA C 115 58.180 55.465 2.715 1
1 1482 . 15 1 1 A 115 115 GLU CB C 115 30.902 30.190 0.712 1
1 1484 . 15 1 1 A 115 115 GLU N N 115 119.440 118.291 1.149 1
1 1485 . 15 1 1 A 116 116 LYS H H 116 9.107 7.934 1.173 1
1 1486 . 15 1 1 A 116 116 LYS HA H 116 4.529 4.592 -0.063 1
1 1495 . 15 1 1 A 116 116 LYS C C 116 176.050 174.454 1.596 1
1 1496 . 15 1 1 A 116 116 LYS CA C 116 56.820 58.169 -1.349 1
1 1497 . 15 1 1 A 116 116 LYS CB C 116 33.358 31.551 1.807 1
1 1501 . 15 1 1 A 116 116 LYS N N 116 121.800 117.833 3.967 1
1 1502 . 15 1 1 A 117 117 VAL H H 117 7.860 8.415 -0.555 1
1 1503 . 15 1 1 A 117 117 VAL HA H 117 4.668 4.694 -0.026 1
1 1511 . 15 1 1 A 117 117 VAL C C 117 171.630 173.521 -1.891 1
1 1512 . 15 1 1 A 117 117 VAL CA C 117 57.440 59.061 -1.621 1
1 1513 . 15 1 1 A 117 117 VAL CB C 117 34.614 35.199 -0.585 1
1 1516 . 15 1 1 A 117 117 VAL N N 117 118.940 120.750 -1.810 1
1 1517 . 15 1 1 A 118 118 ALA H H 118 8.310 8.878 -0.568 1
1 1518 . 15 1 1 A 118 118 ALA HA H 118 4.506 4.703 -0.197 1
1 1522 . 15 1 1 A 118 118 ALA C C 118 174.660 175.348 -0.688 1
1 1523 . 15 1 1 A 118 118 ALA CA C 118 50.370 50.414 -0.044 1
1 1524 . 15 1 1 A 118 118 ALA CB C 118 20.250 20.139 0.111 1
1 1525 . 15 1 1 A 118 118 ALA N N 118 130.190 127.915 2.275 1
1 1526 . 15 1 1 A 119 119 VAL H H 119 8.295 8.803 -0.508 1
1 1527 . 15 1 1 A 119 119 VAL HA H 119 4.096 4.398 -0.302 1
1 1535 . 15 1 1 A 119 119 VAL C C 119 175.320 175.570 -0.250 1
1 1536 . 15 1 1 A 119 119 VAL CA C 119 61.570 61.763 -0.193 1
1 1537 . 15 1 1 A 119 119 VAL CB C 119 31.445 31.523 -0.078 1
1 1540 . 15 1 1 A 119 119 VAL N N 119 123.160 123.209 -0.049 1
1 1541 . 15 1 1 A 120 120 ARG H H 120 8.596 8.957 -0.361 1
1 1542 . 15 1 1 A 120 120 ARG HA H 120 4.534 4.648 -0.114 1
1 1550 . 15 1 1 A 120 120 ARG C C 120 175.260 175.759 -0.499 1
1 1551 . 15 1 1 A 120 120 ARG CA C 120 53.740 53.672 0.068 1
1 1552 . 15 1 1 A 120 120 ARG CB C 120 34.359 33.641 0.718 1
1 1555 . 15 1 1 A 120 120 ARG N N 120 123.692 126.821 -3.129 1
1 1557 . 15 1 1 A 121 121 PHE H H 121 8.585 8.664 -0.079 1
1 1558 . 15 1 1 A 121 121 PHE HA H 121 4.591 4.680 -0.089 1
1 1566 . 15 1 1 A 121 121 PHE C C 121 176.430 174.611 1.819 1
1 1567 . 15 1 1 A 121 121 PHE CA C 121 60.370 57.500 2.870 1
1 1568 . 15 1 1 A 121 121 PHE CB C 121 38.713 39.091 -0.378 1
1 1572 . 15 1 1 A 121 121 PHE N N 121 120.110 119.789 0.321 1
1 1573 . 15 1 1 A 122 122 ALA H H 122 7.896 8.218 -0.322 1
1 1574 . 15 1 1 A 122 122 ALA HA H 122 4.304 3.903 0.401 1
1 1578 . 15 1 1 A 122 122 ALA C C 122 177.430 176.942 0.488 1
1 1579 . 15 1 1 A 122 122 ALA CA C 122 52.050 53.421 -1.371 1
1 1580 . 15 1 1 A 122 122 ALA CB C 122 19.865 17.487 2.378 1
1 1581 . 15 1 1 A 122 122 ALA N N 122 123.820 121.205 2.615 1
1 1582 . 15 1 1 A 123 123 SER H H 123 8.675 8.484 0.191 1
1 1583 . 15 1 1 A 123 123 SER HA H 123 4.372 4.203 0.169 1
1 1586 . 15 1 1 A 123 123 SER C C 123 173.630 173.200 0.430 1
1 1587 . 15 1 1 A 123 123 SER CA C 123 58.750 59.628 -0.878 1
1 1588 . 15 1 1 A 123 123 SER CB C 123 63.870 62.677 1.193 1
1 1589 . 15 1 1 A 123 123 SER N N 123 117.330 113.140 4.190 1
1 14 . 16 1 1 A 2 2 ARG H H 2 9.247 8.664 0.583 1
1 15 . 16 1 1 A 2 2 ARG HA H 2 5.249 4.610 0.639 1
1 23 . 16 1 1 A 2 2 ARG C C 2 176.020 175.222 0.798 1
1 24 . 16 1 1 A 2 2 ARG CA C 2 56.360 56.965 -0.605 1
1 25 . 16 1 1 A 2 2 ARG CB C 2 31.953 31.680 0.273 1
1 28 . 16 1 1 A 2 2 ARG N N 2 129.420 126.953 2.467 1
1 30 . 16 1 1 A 3 3 VAL H H 3 9.361 8.634 0.727 1
1 31 . 16 1 1 A 3 3 VAL HA H 3 4.464 5.080 -0.616 1
1 39 . 16 1 1 A 3 3 VAL C C 3 173.160 173.713 -0.553 1
1 40 . 16 1 1 A 3 3 VAL CA C 3 61.330 60.690 0.640 1
1 41 . 16 1 1 A 3 3 VAL CB C 3 36.251 35.884 0.367 1
1 44 . 16 1 1 A 3 3 VAL N N 3 126.750 120.014 6.736 1
1 45 . 16 1 1 A 4 4 GLU H H 4 9.294 9.425 -0.131 1
1 46 . 16 1 1 A 4 4 GLU HA H 4 4.807 5.076 -0.269 1
1 51 . 16 1 1 A 4 4 GLU C C 4 173.020 174.821 -1.801 1
1 52 . 16 1 1 A 4 4 GLU CA C 4 54.890 54.840 0.050 1
1 53 . 16 1 1 A 4 4 GLU CB C 4 33.146 33.159 -0.013 1
1 55 . 16 1 1 A 4 4 GLU N N 4 128.550 127.907 0.643 1
1 56 . 16 1 1 A 5 5 LEU H H 5 8.685 9.351 -0.666 1
1 57 . 16 1 1 A 5 5 LEU HA H 5 4.547 4.821 -0.274 1
1 67 . 16 1 1 A 5 5 LEU C C 5 173.750 174.617 -0.867 1
1 68 . 16 1 1 A 5 5 LEU CA C 5 52.450 52.951 -0.501 1
1 69 . 16 1 1 A 5 5 LEU CB C 5 41.998 43.203 -1.205 1
1 73 . 16 1 1 A 5 5 LEU N N 5 124.490 126.757 -2.267 1
1 74 . 16 1 1 A 6 6 LEU H H 6 8.608 8.624 -0.016 1
1 75 . 16 1 1 A 6 6 LEU HA H 6 4.502 4.856 -0.354 1
1 85 . 16 1 1 A 6 6 LEU C C 6 176.550 174.560 1.990 1
1 86 . 16 1 1 A 6 6 LEU CA C 6 53.790 52.685 1.105 1
1 87 . 16 1 1 A 6 6 LEU CB C 6 42.240 44.576 -2.336 1
1 91 . 16 1 1 A 6 6 LEU N N 6 123.330 126.904 -3.574 1
1 92 . 16 1 1 A 7 7 PHE H H 7 8.344 9.332 -0.988 1
1 93 . 16 1 1 A 7 7 PHE HA H 7 5.378 4.834 0.544 1
1 101 . 16 1 1 A 7 7 PHE C C 7 175.050 176.417 -1.367 1
1 102 . 16 1 1 A 7 7 PHE CA C 7 55.830 57.070 -1.240 1
1 103 . 16 1 1 A 7 7 PHE CB C 7 39.383 41.354 -1.971 1
1 108 . 16 1 1 A 7 7 PHE N N 7 125.190 124.598 0.592 1
1 109 . 16 1 1 A 8 8 GLU H H 8 8.226 9.113 -0.887 1
1 110 . 16 1 1 A 8 8 GLU HA H 8 4.266 4.237 0.029 1
1 115 . 16 1 1 A 8 8 GLU C C 8 180.740 176.901 3.839 1
1 116 . 16 1 1 A 8 8 GLU CA C 8 59.530 58.802 0.728 1
1 117 . 16 1 1 A 8 8 GLU CB C 8 29.723 29.236 0.487 1
1 119 . 16 1 1 A 8 8 GLU N N 8 120.100 123.072 -2.972 1
1 120 . 16 1 1 A 9 9 SER H H 9 9.069 8.134 0.935 1
1 121 . 16 1 1 A 9 9 SER HA H 9 4.467 4.649 -0.182 1
1 124 . 16 1 1 A 9 9 SER C C 9 173.740 173.908 -0.168 1
1 125 . 16 1 1 A 9 9 SER CA C 9 58.600 58.649 -0.049 1
1 126 . 16 1 1 A 9 9 SER CB C 9 63.120 64.725 -1.605 1
1 127 . 16 1 1 A 9 9 SER N N 9 112.770 113.632 -0.862 1
1 128 . 16 1 1 A 10 10 GLY H H 10 6.925 7.240 -0.315 1
1 129 . 16 1 1 A 10 10 GLY HA2 H 10 3.896 4.081 -0.185 1
1 130 . 16 1 1 A 10 10 GLY HA3 H 10 3.896 4.096 -0.200 1
1 131 . 16 1 1 A 10 10 GLY C C 10 170.040 171.248 -1.208 1
1 132 . 16 1 1 A 10 10 GLY CA C 10 45.466 46.077 -0.611 1
1 133 . 16 1 1 A 10 10 GLY N N 10 105.760 106.186 -0.426 1
1 134 . 16 1 1 A 11 11 LYS H H 11 9.071 8.570 0.501 1
1 135 . 16 1 1 A 11 11 LYS HA H 11 5.484 5.563 -0.079 1
1 144 . 16 1 1 A 11 11 LYS C C 11 174.230 174.429 -0.199 1
1 145 . 16 1 1 A 11 11 LYS CA C 11 55.460 54.985 0.475 1
1 146 . 16 1 1 A 11 11 LYS CB C 11 36.408 36.580 -0.172 1
1 150 . 16 1 1 A 11 11 LYS N N 11 118.960 116.626 2.334 1
1 151 . 16 1 1 A 12 12 CYS H H 12 8.917 8.795 0.122 1
1 152 . 16 1 1 A 12 12 CYS HA H 12 5.083 5.026 0.057 1
1 155 . 16 1 1 A 12 12 CYS C C 12 171.760 173.180 -1.420 1
1 156 . 16 1 1 A 12 12 CYS CA C 12 56.770 57.846 -1.076 1
1 157 . 16 1 1 A 12 12 CYS CB C 12 31.267 33.294 -2.027 1
1 158 . 16 1 1 A 12 12 CYS N N 12 115.700 118.441 -2.741 1
1 159 . 16 1 1 A 13 13 VAL H H 13 8.474 8.505 -0.031 1
1 160 . 16 1 1 A 13 13 VAL HA H 13 4.992 4.968 0.024 1
1 168 . 16 1 1 A 13 13 VAL C C 13 175.660 175.062 0.598 1
1 169 . 16 1 1 A 13 13 VAL CA C 13 61.490 60.670 0.820 1
1 170 . 16 1 1 A 13 13 VAL CB C 13 35.125 35.856 -0.731 1
1 173 . 16 1 1 A 13 13 VAL N N 13 120.490 120.491 -0.001 1
1 174 . 16 1 1 A 14 14 ILE H H 14 9.378 9.259 0.119 1
1 175 . 16 1 1 A 14 14 ILE HA H 14 5.335 5.413 -0.078 1
1 185 . 16 1 1 A 14 14 ILE C C 14 172.570 173.320 -0.750 1
1 186 . 16 1 1 A 14 14 ILE CA C 14 58.540 58.743 -0.203 1
1 187 . 16 1 1 A 14 14 ILE CB C 14 40.755 42.429 -1.674 1
1 191 . 16 1 1 A 14 14 ILE N N 14 120.140 121.951 -1.811 1
1 192 . 16 1 1 A 15 15 ASP H H 15 9.295 9.321 -0.026 1
1 193 . 16 1 1 A 15 15 ASP HA H 15 5.274 5.491 -0.217 1
1 196 . 16 1 1 A 15 15 ASP C C 15 176.510 174.826 1.684 1
1 197 . 16 1 1 A 15 15 ASP CA C 15 53.050 52.673 0.377 1
1 198 . 16 1 1 A 15 15 ASP CB C 15 44.007 44.195 -0.188 1
1 199 . 16 1 1 A 15 15 ASP N N 15 123.200 124.129 -0.929 1
1 200 . 16 1 1 A 16 16 LEU H H 16 8.892 9.097 -0.205 1
1 201 . 16 1 1 A 16 16 LEU HA H 16 4.981 4.998 -0.017 1
1 211 . 16 1 1 A 16 16 LEU C C 16 175.430 176.139 -0.709 1
1 212 . 16 1 1 A 16 16 LEU CA C 16 53.040 53.699 -0.659 1
1 213 . 16 1 1 A 16 16 LEU CB C 16 45.782 45.239 0.543 1
1 217 . 16 1 1 A 16 16 LEU N N 16 123.620 126.197 -2.577 1
1 218 . 16 1 1 A 17 17 ASN H H 17 8.694 8.312 0.382 1
1 219 . 16 1 1 A 17 17 ASN HA H 17 4.632 4.802 -0.170 1
1 224 . 16 1 1 A 17 17 ASN C C 17 175.500 176.485 -0.985 1
1 225 . 16 1 1 A 17 17 ASN CA C 17 53.310 53.666 -0.356 1
1 226 . 16 1 1 A 17 17 ASN CB C 17 38.508 39.553 -1.045 1
1 227 . 16 1 1 A 17 17 ASN N N 17 121.330 122.925 -1.595 1
1 229 . 16 1 1 A 18 18 GLU H H 18 8.793 9.157 -0.364 1
1 230 . 16 1 1 A 18 18 GLU HA H 18 3.736 4.449 -0.713 1
1 235 . 16 1 1 A 18 18 GLU C C 18 175.250 177.146 -1.896 1
1 236 . 16 1 1 A 18 18 GLU CA C 18 58.330 56.702 1.628 1
1 237 . 16 1 1 A 18 18 GLU CB C 18 29.947 29.587 0.360 1
1 239 . 16 1 1 A 18 18 GLU N N 18 124.750 125.818 -1.068 1
1 240 . 16 1 1 A 19 19 GLU H H 19 8.187 7.889 0.298 1
1 241 . 16 1 1 A 19 19 GLU HA H 19 3.885 4.243 -0.358 1
1 246 . 16 1 1 A 19 19 GLU C C 19 177.350 175.261 2.089 1
1 247 . 16 1 1 A 19 19 GLU CA C 19 57.730 56.280 1.450 1
1 248 . 16 1 1 A 19 19 GLU CB C 19 29.744 29.462 0.282 1
1 250 . 16 1 1 A 19 19 GLU N N 19 117.280 117.489 -0.209 1
1 251 . 16 1 1 A 20 20 TYR H H 20 7.135 7.744 -0.609 1
1 252 . 16 1 1 A 20 20 TYR HA H 20 4.668 4.832 -0.164 1
1 259 . 16 1 1 A 20 20 TYR CA C 20 56.050 57.217 -1.167 1
1 260 . 16 1 1 A 20 20 TYR CB C 20 38.464 40.484 -2.020 1
1 263 . 16 1 1 A 20 20 TYR N N 20 117.730 119.341 -1.611 1
1 264 . 16 1 1 A 21 21 GLU H H 21 10.044 9.087 0.957 1
1 265 . 16 1 1 A 21 21 GLU HA H 21 3.807 3.909 -0.102 1
1 270 . 16 1 1 A 21 21 GLU C C 21 179.150 178.130 1.020 1
1 271 . 16 1 1 A 21 21 GLU CA C 21 60.640 60.094 0.546 1
1 272 . 16 1 1 A 21 21 GLU CB C 21 29.167 29.661 -0.494 1
1 274 . 16 1 1 A 21 21 GLU N N 21 129.480 124.979 4.501 1
1 275 . 16 1 1 A 22 22 VAL H H 22 9.539 8.159 1.380 1
1 276 . 16 1 1 A 22 22 VAL HA H 22 3.574 3.891 -0.317 1
1 284 . 16 1 1 A 22 22 VAL C C 22 175.490 177.070 -1.580 1
1 285 . 16 1 1 A 22 22 VAL CA C 22 64.470 64.929 -0.459 1
1 286 . 16 1 1 A 22 22 VAL CB C 22 30.858 31.249 -0.391 1
1 289 . 16 1 1 A 22 22 VAL N N 22 115.360 118.904 -3.544 1
1 290 . 16 1 1 A 23 23 VAL H H 23 6.843 7.760 -0.917 1
1 291 . 16 1 1 A 23 23 VAL HA H 23 3.387 3.753 -0.366 1
1 299 . 16 1 1 A 23 23 VAL C C 23 176.900 178.201 -1.301 1
1 300 . 16 1 1 A 23 23 VAL CA C 23 67.030 66.391 0.639 1
1 301 . 16 1 1 A 23 23 VAL CB C 23 31.499 31.794 -0.295 1
1 304 . 16 1 1 A 23 23 VAL N N 23 121.150 120.206 0.944 1
1 305 . 16 1 1 A 24 24 LYS H H 24 7.533 7.739 -0.206 1
1 306 . 16 1 1 A 24 24 LYS HA H 24 3.851 3.999 -0.148 1
1 315 . 16 1 1 A 24 24 LYS C C 24 179.820 179.338 0.482 1
1 316 . 16 1 1 A 24 24 LYS CA C 24 60.480 59.886 0.594 1
1 317 . 16 1 1 A 24 24 LYS CB C 24 32.626 32.297 0.329 1
1 321 . 16 1 1 A 24 24 LYS N N 24 120.120 119.641 0.479 1
1 322 . 16 1 1 A 25 25 LEU H H 25 7.870 8.171 -0.301 1
1 323 . 16 1 1 A 25 25 LEU HA H 25 4.097 4.178 -0.081 1
1 333 . 16 1 1 A 25 25 LEU C C 25 180.620 179.512 1.108 1
1 334 . 16 1 1 A 25 25 LEU CA C 25 57.440 57.105 0.335 1
1 335 . 16 1 1 A 25 25 LEU CB C 25 41.717 41.693 0.024 1
1 339 . 16 1 1 A 25 25 LEU N N 25 117.260 119.990 -2.730 1
1 340 . 16 1 1 A 26 26 LEU H H 26 8.489 7.901 0.588 1
1 341 . 16 1 1 A 26 26 LEU HA H 26 3.703 4.093 -0.390 1
1 351 . 16 1 1 A 26 26 LEU C C 26 178.820 178.903 -0.083 1
1 352 . 16 1 1 A 26 26 LEU CA C 26 58.310 57.540 0.770 1
1 353 . 16 1 1 A 26 26 LEU CB C 26 42.487 41.426 1.061 1
1 357 . 16 1 1 A 26 26 LEU N N 26 121.760 119.480 2.280 1
1 358 . 16 1 1 A 27 27 LYS H H 27 8.190 7.977 0.213 1
1 359 . 16 1 1 A 27 27 LYS HA H 27 3.799 4.332 -0.533 1
1 368 . 16 1 1 A 27 27 LYS C C 27 177.470 178.941 -1.471 1
1 369 . 16 1 1 A 27 27 LYS CA C 27 60.480 59.294 1.186 1
1 370 . 16 1 1 A 27 27 LYS CB C 27 33.472 32.166 1.306 1
1 374 . 16 1 1 A 27 27 LYS N N 27 117.650 121.572 -3.922 1
1 375 . 16 1 1 A 28 28 GLU H H 28 6.841 8.020 -1.179 1
1 376 . 16 1 1 A 28 28 GLU HA H 28 4.238 4.233 0.005 1
1 381 . 16 1 1 A 28 28 GLU C C 28 177.280 177.410 -0.130 1
1 382 . 16 1 1 A 28 28 GLU CA C 28 57.370 58.573 -1.203 1
1 383 . 16 1 1 A 28 28 GLU CB C 28 30.480 29.583 0.897 1
1 385 . 16 1 1 A 28 28 GLU N N 28 111.940 117.510 -5.570 1
1 386 . 16 1 1 A 29 29 LYS H H 29 7.577 8.213 -0.636 1
1 387 . 16 1 1 A 29 29 LYS HA H 29 4.414 4.483 -0.069 1
1 396 . 16 1 1 A 29 29 LYS C C 29 175.230 174.833 0.397 1
1 397 . 16 1 1 A 29 29 LYS CA C 29 53.800 55.017 -1.217 1
1 398 . 16 1 1 A 29 29 LYS CB C 29 33.530 32.372 1.158 1
1 402 . 16 1 1 A 29 29 LYS N N 29 115.460 117.861 -2.401 1
1 403 . 16 1 1 A 30 30 ILE H H 30 6.921 7.550 -0.629 1
1 404 . 16 1 1 A 30 30 ILE HA H 30 3.939 4.683 -0.744 1
1 414 . 16 1 1 A 30 30 ILE CA C 30 60.290 57.661 2.629 1
1 415 . 16 1 1 A 30 30 ILE CB C 30 39.967 41.143 -1.176 1
1 419 . 16 1 1 A 30 30 ILE N N 30 122.100 120.787 1.313 1
1 420 . 16 1 1 A 31 31 PRO HA H 31 4.840 4.875 -0.035 1
1 427 . 16 1 1 A 31 31 PRO C C 31 175.340 176.482 -1.142 1
1 428 . 16 1 1 A 31 31 PRO CA C 31 62.720 62.527 0.193 1
1 429 . 16 1 1 A 31 31 PRO CB C 31 36.350 33.116 3.234 1
1 432 . 16 1 1 A 32 32 PHE H H 32 7.627 8.801 -1.174 1
1 433 . 16 1 1 A 32 32 PHE HA H 32 4.959 5.122 -0.163 1
1 441 . 16 1 1 A 32 32 PHE C C 32 171.870 172.245 -0.375 1
1 442 . 16 1 1 A 32 32 PHE CA C 32 56.300 56.175 0.125 1
1 443 . 16 1 1 A 32 32 PHE CB C 32 40.253 41.898 -1.645 1
1 447 . 16 1 1 A 32 32 PHE N N 32 112.880 117.746 -4.866 1
1 448 . 16 1 1 A 33 33 GLU H H 33 8.728 8.656 0.072 1
1 449 . 16 1 1 A 33 33 GLU HA H 33 5.309 5.253 0.056 1
1 454 . 16 1 1 A 33 33 GLU C C 33 175.630 175.017 0.613 1
1 455 . 16 1 1 A 33 33 GLU CA C 33 54.450 54.560 -0.110 1
1 456 . 16 1 1 A 33 33 GLU CB C 33 33.814 33.260 0.554 1
1 458 . 16 1 1 A 33 33 GLU N N 33 118.710 119.365 -0.655 1
1 459 . 16 1 1 A 34 34 SER H H 34 8.964 8.670 0.294 1
1 460 . 16 1 1 A 34 34 SER HA H 34 4.803 4.865 -0.062 1
1 463 . 16 1 1 A 34 34 SER C C 34 174.560 173.080 1.480 1
1 464 . 16 1 1 A 34 34 SER CA C 34 55.830 56.747 -0.917 1
1 465 . 16 1 1 A 34 34 SER CB C 34 64.270 65.295 -1.025 1
1 466 . 16 1 1 A 34 34 SER N N 34 115.150 116.217 -1.067 1
1 467 . 16 1 1 A 35 35 VAL H H 35 8.322 8.633 -0.311 1
1 468 . 16 1 1 A 35 35 VAL HA H 35 4.724 4.307 0.417 1
1 476 . 16 1 1 A 35 35 VAL C C 35 174.950 175.521 -0.571 1
1 477 . 16 1 1 A 35 35 VAL CA C 35 61.350 61.798 -0.448 1
1 478 . 16 1 1 A 35 35 VAL CB C 35 35.676 32.398 3.278 1
1 481 . 16 1 1 A 35 35 VAL N N 35 121.700 123.319 -1.619 1
1 482 . 16 1 1 A 36 36 VAL H H 36 9.200 8.785 0.415 1
1 483 . 16 1 1 A 36 36 VAL HA H 36 3.999 4.288 -0.289 1
1 491 . 16 1 1 A 36 36 VAL C C 36 175.490 175.087 0.403 1
1 492 . 16 1 1 A 36 36 VAL CA C 36 63.900 62.384 1.516 1
1 493 . 16 1 1 A 36 36 VAL CB C 36 33.593 30.268 3.325 1
1 496 . 16 1 1 A 36 36 VAL N N 36 123.870 128.369 -4.499 1
1 497 . 16 1 1 A 37 37 ASN H H 37 8.739 7.877 0.862 1
1 498 . 16 1 1 A 37 37 ASN HA H 37 5.276 4.668 0.608 1
1 503 . 16 1 1 A 37 37 ASN C C 37 174.040 175.597 -1.557 1
1 504 . 16 1 1 A 37 37 ASN CA C 37 51.960 53.794 -1.834 1
1 505 . 16 1 1 A 37 37 ASN CB C 37 41.996 38.320 3.676 1
1 506 . 16 1 1 A 37 37 ASN N N 37 123.895 123.903 -0.008 1
1 508 . 16 1 1 A 38 38 THR H H 38 8.703 8.914 -0.211 1
1 509 . 16 1 1 A 38 38 THR HA H 38 5.323 5.640 -0.317 1
1 514 . 16 1 1 A 38 38 THR C C 38 174.910 173.764 1.146 1
1 515 . 16 1 1 A 38 38 THR CA C 38 59.740 59.597 0.143 1
1 516 . 16 1 1 A 38 38 THR CB C 38 71.332 72.513 -1.181 1
1 518 . 16 1 1 A 38 38 THR N N 38 111.440 111.530 -0.090 1
1 519 . 16 1 1 A 39 39 TRP H H 39 8.489 9.145 -0.656 1
1 520 . 16 1 1 A 39 39 TRP HA H 39 4.838 4.883 -0.045 1
1 529 . 16 1 1 A 39 39 TRP C C 39 175.270 175.819 -0.549 1
1 530 . 16 1 1 A 39 39 TRP CA C 39 57.040 56.953 0.087 1
1 531 . 16 1 1 A 39 39 TRP CB C 39 29.089 31.043 -1.954 1
1 537 . 16 1 1 A 39 39 TRP N N 39 125.321 123.636 1.685 1
1 539 . 16 1 1 A 40 40 GLY H H 40 8.596 9.533 -0.937 1
1 540 . 16 1 1 A 40 40 GLY HA2 H 40 3.528 3.531 -0.003 1
1 541 . 16 1 1 A 40 40 GLY HA3 H 40 3.465 3.687 -0.222 1
1 542 . 16 1 1 A 40 40 GLY CA C 40 47.619 46.891 0.728 1
1 543 . 16 1 1 A 40 40 GLY N N 40 113.220 115.664 -2.444 1
1 544 . 16 1 1 A 41 41 GLU H H 41 7.870 8.406 -0.536 1
1 545 . 16 1 1 A 41 41 GLU HA H 41 3.717 3.336 0.381 1
1 550 . 16 1 1 A 41 41 GLU C C 41 171.810 173.918 -2.108 1
1 551 . 16 1 1 A 41 41 GLU CA C 41 55.390 57.523 -2.133 1
1 552 . 16 1 1 A 41 41 GLU CB C 41 26.025 27.383 -1.358 1
1 554 . 16 1 1 A 41 41 GLU N N 41 128.227 110.374 17.853 1
1 555 . 16 1 1 A 42 42 GLU H H 42 7.158 7.661 -0.503 1
1 556 . 16 1 1 A 42 42 GLU HA H 42 4.811 5.139 -0.328 1
1 561 . 16 1 1 A 42 42 GLU C C 42 175.680 174.840 0.840 1
1 562 . 16 1 1 A 42 42 GLU CA C 42 53.860 55.017 -1.157 1
1 563 . 16 1 1 A 42 42 GLU CB C 42 31.149 33.612 -2.463 1
1 565 . 16 1 1 A 42 42 GLU N N 42 116.880 117.983 -1.103 1
1 566 . 16 1 1 A 43 43 ILE H H 43 8.226 8.429 -0.203 1
1 567 . 16 1 1 A 43 43 ILE HA H 43 4.934 5.369 -0.435 1
1 577 . 16 1 1 A 43 43 ILE C C 43 174.420 174.222 0.198 1
1 578 . 16 1 1 A 43 43 ILE CA C 43 59.250 60.550 -1.300 1
1 579 . 16 1 1 A 43 43 ILE CB C 43 43.278 41.465 1.813 1
1 583 . 16 1 1 A 43 43 ILE N N 43 125.120 125.239 -0.119 1
1 584 . 16 1 1 A 44 44 TYR H H 44 9.318 9.081 0.237 1
1 585 . 16 1 1 A 44 44 TYR HA H 44 6.008 5.475 0.533 1
1 592 . 16 1 1 A 44 44 TYR C C 44 174.150 173.213 0.937 1
1 593 . 16 1 1 A 44 44 TYR CA C 44 55.740 56.002 -0.262 1
1 594 . 16 1 1 A 44 44 TYR CB C 44 42.606 41.978 0.628 1
1 597 . 16 1 1 A 44 44 TYR N N 44 124.370 123.341 1.029 1
1 598 . 16 1 1 A 45 45 PHE H H 45 8.211 8.841 -0.630 1
1 599 . 16 1 1 A 45 45 PHE HA H 45 5.088 5.442 -0.354 1
1 607 . 16 1 1 A 45 45 PHE C C 45 173.730 173.136 0.594 1
1 608 . 16 1 1 A 45 45 PHE CA C 45 55.140 55.552 -0.412 1
1 609 . 16 1 1 A 45 45 PHE CB C 45 40.793 42.537 -1.744 1
1 613 . 16 1 1 A 45 45 PHE N N 45 114.110 117.047 -2.937 1
1 614 . 16 1 1 A 46 46 SER H H 46 9.523 8.879 0.644 1
1 615 . 16 1 1 A 46 46 SER HA H 46 4.316 4.945 -0.629 1
1 618 . 16 1 1 A 46 46 SER C C 46 174.360 174.330 0.030 1
1 619 . 16 1 1 A 46 46 SER CA C 46 59.960 58.191 1.769 1
1 620 . 16 1 1 A 46 46 SER CB C 46 63.980 61.580 2.400 1
1 621 . 16 1 1 A 46 46 SER N N 46 117.150 116.866 0.284 1
1 622 . 16 1 1 A 47 47 THR H H 47 8.225 8.267 -0.042 1
1 623 . 16 1 1 A 47 47 THR HA H 47 4.971 4.607 0.364 1
1 628 . 16 1 1 A 47 47 THR CA C 47 59.160 60.640 -1.480 1
1 629 . 16 1 1 A 47 47 THR CB C 47 70.385 68.883 1.502 1
1 631 . 16 1 1 A 47 47 THR N N 47 113.910 118.374 -4.464 1
1 632 . 16 1 1 A 48 48 PRO HA H 48 4.585 4.484 0.101 1
1 639 . 16 1 1 A 48 48 PRO C C 48 175.940 176.233 -0.293 1
1 640 . 16 1 1 A 48 48 PRO CA C 48 62.410 63.881 -1.471 1
1 641 . 16 1 1 A 48 48 PRO CB C 48 31.770 31.687 0.083 1
1 644 . 16 1 1 A 49 49 VAL H H 49 7.458 7.453 0.005 1
1 645 . 16 1 1 A 49 49 VAL HA H 49 4.178 4.077 0.101 1
1 653 . 16 1 1 A 49 49 VAL C C 49 174.070 175.421 -1.351 1
1 654 . 16 1 1 A 49 49 VAL CA C 49 60.840 62.938 -2.098 1
1 655 . 16 1 1 A 49 49 VAL CB C 49 34.134 32.585 1.549 1
1 658 . 16 1 1 A 49 49 VAL N N 49 114.800 118.917 -4.117 1
1 659 . 16 1 1 A 50 50 ASN H H 50 8.897 8.669 0.228 1
1 660 . 16 1 1 A 50 50 ASN HA H 50 4.684 5.318 -0.634 1
1 665 . 16 1 1 A 50 50 ASN C C 50 173.550 174.060 -0.510 1
1 666 . 16 1 1 A 50 50 ASN CA C 50 51.610 52.147 -0.537 1
1 667 . 16 1 1 A 50 50 ASN CB C 50 39.730 40.257 -0.527 1
1 668 . 16 1 1 A 50 50 ASN N N 50 126.400 125.835 0.565 1
1 670 . 16 1 1 A 51 51 VAL H H 51 7.587 8.966 -1.379 1
1 671 . 16 1 1 A 51 51 VAL HA H 51 4.148 4.782 -0.634 1
1 679 . 16 1 1 A 51 51 VAL C C 51 174.350 175.351 -1.001 1
1 680 . 16 1 1 A 51 51 VAL CA C 51 61.280 60.069 1.211 1
1 681 . 16 1 1 A 51 51 VAL CB C 51 35.206 35.881 -0.675 1
1 684 . 16 1 1 A 51 51 VAL N N 51 122.670 125.458 -2.788 1
1 685 . 16 1 1 A 52 52 GLN H H 52 8.337 8.911 -0.574 1
1 686 . 16 1 1 A 52 52 GLN HA H 52 4.094 4.570 -0.476 1
1 693 . 16 1 1 A 52 52 GLN C C 52 176.240 175.611 0.629 1
1 694 . 16 1 1 A 52 52 GLN CA C 52 56.560 55.572 0.988 1
1 695 . 16 1 1 A 52 52 GLN CB C 52 29.745 29.944 -0.199 1
1 697 . 16 1 1 A 52 52 GLN N N 52 122.670 122.855 -0.185 1
1 699 . 16 1 1 A 53 53 LYS H H 53 7.363 7.532 -0.169 1
1 700 . 16 1 1 A 53 53 LYS HA H 53 3.994 4.422 -0.428 1
1 709 . 16 1 1 A 53 53 LYS C C 53 176.010 175.843 0.167 1
1 710 . 16 1 1 A 53 53 LYS CA C 53 56.960 56.330 0.630 1
1 711 . 16 1 1 A 53 53 LYS CB C 53 33.000 33.162 -0.162 1
1 715 . 16 1 1 A 53 53 LYS N N 53 119.940 122.542 -2.602 1
1 716 . 16 1 1 A 54 54 MET H H 54 8.797 8.928 -0.131 1
1 717 . 16 1 1 A 54 54 MET HA H 54 4.449 4.702 -0.253 1
1 725 . 16 1 1 A 54 54 MET C C 54 174.630 175.632 -1.002 1
1 726 . 16 1 1 A 54 54 MET CA C 54 54.530 54.060 0.470 1
1 727 . 16 1 1 A 54 54 MET CB C 54 36.912 33.374 3.538 1
1 730 . 16 1 1 A 54 54 MET N N 54 124.720 126.849 -2.129 1
1 731 . 16 1 1 A 55 55 GLU H H 55 9.773 8.748 1.025 1
1 732 . 16 1 1 A 55 55 GLU HA H 55 4.029 4.582 -0.553 1
1 737 . 16 1 1 A 55 55 GLU C C 55 176.930 176.999 -0.069 1
1 738 . 16 1 1 A 55 55 GLU CA C 55 59.910 57.779 2.131 1
1 739 . 16 1 1 A 55 55 GLU CB C 55 29.611 31.760 -2.149 1
1 741 . 16 1 1 A 55 55 GLU N N 55 124.250 123.782 0.468 1
1 742 . 16 1 1 A 56 56 ASN H H 56 8.371 7.882 0.489 1
1 743 . 16 1 1 A 56 56 ASN HA H 56 5.163 5.102 0.061 1
1 748 . 16 1 1 A 56 56 ASN CA C 56 50.680 50.806 -0.126 1
1 749 . 16 1 1 A 56 56 ASN CB C 56 39.563 38.970 0.593 1
1 750 . 16 1 1 A 56 56 ASN N N 56 115.600 117.979 -2.379 1
1 752 . 16 1 1 A 57 57 PRO HA H 57 4.854 4.560 0.294 1
1 759 . 16 1 1 A 57 57 PRO C C 57 178.760 176.609 2.151 1
1 760 . 16 1 1 A 57 57 PRO CA C 57 62.630 62.918 -0.288 1
1 761 . 16 1 1 A 57 57 PRO CB C 57 32.197 31.968 0.229 1
1 764 . 16 1 1 A 58 58 ARG H H 58 9.448 8.636 0.812 1
1 765 . 16 1 1 A 58 58 ARG HA H 58 4.636 4.811 -0.175 1
1 773 . 16 1 1 A 58 58 ARG C C 58 175.430 175.987 -0.557 1
1 774 . 16 1 1 A 58 58 ARG CA C 58 54.210 54.592 -0.382 1
1 775 . 16 1 1 A 58 58 ARG CB C 58 34.208 33.219 0.989 1
1 778 . 16 1 1 A 58 58 ARG N N 58 122.690 121.721 0.969 1
1 780 . 16 1 1 A 59 59 GLU H H 59 8.694 8.797 -0.103 1
1 781 . 16 1 1 A 59 59 GLU HA H 59 4.096 4.634 -0.538 1
1 786 . 16 1 1 A 59 59 GLU C C 59 175.210 175.744 -0.534 1
1 787 . 16 1 1 A 59 59 GLU CA C 59 56.470 56.167 0.303 1
1 788 . 16 1 1 A 59 59 GLU CB C 59 31.074 31.326 -0.252 1
1 790 . 16 1 1 A 59 59 GLU N N 59 119.520 118.276 1.244 1
1 791 . 16 1 1 A 60 60 VAL H H 60 7.296 7.525 -0.229 1
1 792 . 16 1 1 A 60 60 VAL HA H 60 4.471 4.559 -0.088 1
1 800 . 16 1 1 A 60 60 VAL C C 60 174.900 173.578 1.322 1
1 801 . 16 1 1 A 60 60 VAL CA C 60 61.058 60.273 0.785 1
1 802 . 16 1 1 A 60 60 VAL CB C 60 35.056 34.593 0.463 1
1 805 . 16 1 1 A 60 60 VAL N N 60 117.380 118.148 -0.768 1
1 806 . 16 1 1 A 61 61 VAL H H 61 8.064 8.556 -0.492 1
1 807 . 16 1 1 A 61 61 VAL HA H 61 4.540 4.939 -0.399 1
1 815 . 16 1 1 A 61 61 VAL C C 61 172.880 174.686 -1.806 1
1 816 . 16 1 1 A 61 61 VAL CA C 61 58.820 58.877 -0.057 1
1 817 . 16 1 1 A 61 61 VAL CB C 61 33.464 36.088 -2.624 1
1 820 . 16 1 1 A 61 61 VAL N N 61 117.630 120.419 -2.789 1
1 821 . 16 1 1 A 62 62 GLU H H 62 8.620 8.822 -0.202 1
1 822 . 16 1 1 A 62 62 GLU HA H 62 4.543 4.530 0.013 1
1 827 . 16 1 1 A 62 62 GLU C C 62 176.350 176.895 -0.545 1
1 828 . 16 1 1 A 62 62 GLU CA C 62 53.640 56.026 -2.386 1
1 829 . 16 1 1 A 62 62 GLU CB C 62 32.360 30.778 1.582 1
1 831 . 16 1 1 A 62 62 GLU N N 62 118.060 120.316 -2.256 1
1 832 . 16 1 1 A 63 63 ILE H H 63 8.520 8.636 -0.116 1
1 833 . 16 1 1 A 63 63 ILE HA H 63 3.275 4.363 -1.088 1
1 843 . 16 1 1 A 63 63 ILE C C 63 177.940 176.547 1.393 1
1 844 . 16 1 1 A 63 63 ILE CA C 63 64.410 61.305 3.105 1
1 845 . 16 1 1 A 63 63 ILE CB C 63 37.674 36.077 1.597 1
1 849 . 16 1 1 A 63 63 ILE N N 63 120.310 123.465 -3.155 1
1 850 . 16 1 1 A 64 64 GLY H H 64 9.091 8.328 0.763 1
1 851 . 16 1 1 A 64 64 GLY HA2 H 64 3.563 4.142 -0.579 1
1 852 . 16 1 1 A 64 64 GLY HA3 H 64 4.774 4.161 0.613 1
1 853 . 16 1 1 A 64 64 GLY C C 64 173.290 173.964 -0.674 1
1 854 . 16 1 1 A 64 64 GLY CA C 64 45.359 45.342 0.017 1
1 855 . 16 1 1 A 64 64 GLY N N 64 116.340 115.081 1.259 1
1 856 . 16 1 1 A 65 65 ASP H H 65 8.335 7.805 0.530 1
1 857 . 16 1 1 A 65 65 ASP HA H 65 4.914 5.222 -0.308 1
1 860 . 16 1 1 A 65 65 ASP C C 65 175.180 174.927 0.253 1
1 861 . 16 1 1 A 65 65 ASP CA C 65 56.630 53.309 3.321 1
1 862 . 16 1 1 A 65 65 ASP CB C 65 41.980 43.609 -1.629 1
1 863 . 16 1 1 A 65 65 ASP N N 65 121.610 120.082 1.528 1
1 864 . 16 1 1 A 66 66 VAL H H 66 7.580 8.488 -0.908 1
1 865 . 16 1 1 A 66 66 VAL HA H 66 5.085 5.060 0.025 1
1 873 . 16 1 1 A 66 66 VAL C C 66 176.170 174.980 1.190 1
1 874 . 16 1 1 A 66 66 VAL CA C 66 60.240 60.911 -0.671 1
1 875 . 16 1 1 A 66 66 VAL CB C 66 33.783 35.582 -1.799 1
1 878 . 16 1 1 A 66 66 VAL N N 66 117.330 119.949 -2.619 1
1 879 . 16 1 1 A 67 67 GLY H H 67 9.592 8.583 1.009 1
1 880 . 16 1 1 A 67 67 GLY HA2 H 67 5.899 4.479 1.420 1
1 881 . 16 1 1 A 67 67 GLY HA3 H 67 3.200 4.515 -1.315 1
1 882 . 16 1 1 A 67 67 GLY C C 67 171.740 171.460 0.280 1
1 883 . 16 1 1 A 67 67 GLY CA C 67 43.580 44.161 -0.581 1
1 884 . 16 1 1 A 67 67 GLY N N 67 111.440 115.186 -3.746 1
1 885 . 16 1 1 A 68 68 TYR H H 68 9.146 8.852 0.294 1
1 886 . 16 1 1 A 68 68 TYR HA H 68 5.809 5.387 0.422 1
1 889 . 16 1 1 A 68 68 TYR C C 68 173.860 174.688 -0.828 1
1 890 . 16 1 1 A 68 68 TYR CA C 68 55.900 56.886 -0.986 1
1 891 . 16 1 1 A 68 68 TYR CB C 68 42.170 40.882 1.288 1
1 892 . 16 1 1 A 68 68 TYR N N 68 119.980 119.503 0.477 1
1 893 . 16 1 1 A 69 69 TRP H H 69 9.213 8.923 0.290 1
1 894 . 16 1 1 A 69 69 TRP HA H 69 5.268 5.076 0.192 1
1 902 . 16 1 1 A 69 69 TRP CA C 69 53.390 55.295 -1.905 1
1 903 . 16 1 1 A 69 69 TRP CB C 69 30.442 29.953 0.489 1
1 908 . 16 1 1 A 69 69 TRP N N 69 132.150 125.760 6.390 1
1 910 . 16 1 1 A 70 70 PRO HA H 70 3.923 4.261 -0.338 1
1 917 . 16 1 1 A 70 70 PRO CA C 70 66.753 65.476 1.277 1
1 918 . 16 1 1 A 70 70 PRO CB C 70 30.054 31.922 -1.868 1
1 921 . 16 1 1 A 71 71 PRO HA H 71 3.716 4.160 -0.444 1
1 928 . 16 1 1 A 71 71 PRO CA C 71 65.803 64.754 1.049 1
1 929 . 16 1 1 A 71 71 PRO CB C 71 30.620 30.929 -0.309 1
1 932 . 16 1 1 A 72 72 GLY HA2 H 72 3.168 3.965 -0.797 1
1 933 . 16 1 1 A 72 72 GLY HA3 H 72 4.271 3.980 0.291 1
1 934 . 16 1 1 A 72 72 GLY C C 72 173.220 173.383 -0.163 1
1 935 . 16 1 1 A 72 72 GLY CA C 72 44.350 44.978 -0.628 1
1 936 . 16 1 1 A 73 73 LYS H H 73 7.989 7.632 0.357 1
1 937 . 16 1 1 A 73 73 LYS HA H 73 3.566 3.880 -0.314 1
1 946 . 16 1 1 A 73 73 LYS C C 73 177.420 175.300 2.120 1
1 947 . 16 1 1 A 73 73 LYS CA C 73 57.790 57.127 0.663 1
1 948 . 16 1 1 A 73 73 LYS CB C 73 29.398 30.361 -0.963 1
1 952 . 16 1 1 A 73 73 LYS N N 73 121.515 115.252 6.263 1
1 953 . 16 1 1 A 74 74 ALA H H 74 6.969 7.700 -0.731 1
1 954 . 16 1 1 A 74 74 ALA HA H 74 5.123 5.136 -0.013 1
1 958 . 16 1 1 A 74 74 ALA C C 74 177.490 175.378 2.112 1
1 959 . 16 1 1 A 74 74 ALA CA C 74 51.900 51.160 0.740 1
1 960 . 16 1 1 A 74 74 ALA CB C 74 23.090 23.800 -0.710 1
1 961 . 16 1 1 A 74 74 ALA N N 74 118.780 118.787 -0.007 1
1 962 . 16 1 1 A 75 75 LEU H H 75 8.032 8.049 -0.017 1
1 963 . 16 1 1 A 75 75 LEU HA H 75 4.844 4.512 0.332 1
1 973 . 16 1 1 A 75 75 LEU C C 75 175.540 175.099 0.441 1
1 974 . 16 1 1 A 75 75 LEU CA C 75 54.000 52.924 1.076 1
1 975 . 16 1 1 A 75 75 LEU CB C 75 43.858 43.555 0.303 1
1 979 . 16 1 1 A 75 75 LEU N N 75 122.780 118.844 3.936 1
1 980 . 16 1 1 A 76 76 CYS H H 76 8.813 8.087 0.726 1
1 981 . 16 1 1 A 76 76 CYS HA H 76 5.178 5.050 0.128 1
1 984 . 16 1 1 A 76 76 CYS C C 76 173.080 172.562 0.518 1
1 985 . 16 1 1 A 76 76 CYS CA C 76 55.850 57.589 -1.739 1
1 986 . 16 1 1 A 76 76 CYS CB C 76 31.922 31.831 0.091 1
1 987 . 16 1 1 A 76 76 CYS N N 76 117.950 120.374 -2.424 1
1 988 . 16 1 1 A 77 77 LEU H H 77 9.621 8.511 1.110 1
1 989 . 16 1 1 A 77 77 LEU HA H 77 4.741 4.936 -0.195 1
1 999 . 16 1 1 A 77 77 LEU C C 77 175.040 175.199 -0.159 1
1 1000 . 16 1 1 A 77 77 LEU CA C 77 53.510 53.005 0.505 1
1 1001 . 16 1 1 A 77 77 LEU CB C 77 44.058 43.839 0.219 1
1 1005 . 16 1 1 A 77 77 LEU N N 77 123.140 123.232 -0.092 1
1 1006 . 16 1 1 A 78 78 PHE H H 78 7.930 9.089 -1.159 1
1 1007 . 16 1 1 A 78 78 PHE HA H 78 4.809 5.258 -0.449 1
1 1015 . 16 1 1 A 78 78 PHE C C 78 174.830 175.456 -0.626 1
1 1016 . 16 1 1 A 78 78 PHE CA C 78 58.140 56.042 2.098 1
1 1017 . 16 1 1 A 78 78 PHE CB C 78 39.603 40.518 -0.915 1
1 1021 . 16 1 1 A 78 78 PHE N N 78 120.120 123.503 -3.383 1
1 1022 . 16 1 1 A 79 79 PHE H H 79 8.038 8.378 -0.340 1
1 1023 . 16 1 1 A 79 79 PHE HA H 79 5.029 4.977 0.052 1
1 1031 . 16 1 1 A 79 79 PHE C C 79 172.070 175.135 -3.065 1
1 1032 . 16 1 1 A 79 79 PHE CA C 79 55.630 56.234 -0.604 1
1 1033 . 16 1 1 A 79 79 PHE CB C 79 39.003 39.722 -0.719 1
1 1037 . 16 1 1 A 79 79 PHE N N 79 119.040 118.912 0.128 1
1 1038 . 16 1 1 A 80 80 GLY H H 80 7.489 7.503 -0.014 1
1 1039 . 16 1 1 A 80 80 GLY HA2 H 80 3.653 4.116 -0.463 1
1 1040 . 16 1 1 A 80 80 GLY HA3 H 80 4.283 4.197 0.086 1
1 1041 . 16 1 1 A 80 80 GLY C C 80 170.830 174.041 -3.211 1
1 1042 . 16 1 1 A 80 80 GLY CA C 80 45.342 46.265 -0.923 1
1 1043 . 16 1 1 A 80 80 GLY N N 80 110.010 108.462 1.548 1
1 1044 . 16 1 1 A 81 81 LYS H H 81 8.186 8.303 -0.117 1
1 1045 . 16 1 1 A 81 81 LYS HA H 81 4.003 4.344 -0.341 1
1 1054 . 16 1 1 A 81 81 LYS C C 81 177.530 176.109 1.421 1
1 1055 . 16 1 1 A 81 81 LYS CA C 81 57.730 56.411 1.319 1
1 1056 . 16 1 1 A 81 81 LYS CB C 81 33.293 33.757 -0.464 1
1 1060 . 16 1 1 A 81 81 LYS N N 81 117.260 125.530 -8.270 1
1 1061 . 16 1 1 A 82 82 THR H H 82 8.076 8.000 0.076 1
1 1062 . 16 1 1 A 82 82 THR HA H 82 4.423 4.644 -0.221 1
1 1067 . 16 1 1 A 82 82 THR CA C 82 59.230 62.060 -2.830 1
1 1068 . 16 1 1 A 82 82 THR CB C 82 68.310 68.358 -0.048 1
1 1070 . 16 1 1 A 82 82 THR N N 82 113.611 112.898 0.713 1
1 1071 . 16 1 1 A 83 83 PRO HA H 83 4.090 4.384 -0.294 1
1 1078 . 16 1 1 A 83 83 PRO CA C 83 63.743 63.870 -0.127 1
1 1079 . 16 1 1 A 83 83 PRO CB C 83 32.167 31.622 0.545 1
1 1082 . 16 1 1 A 84 84 MET HA H 84 4.220 4.565 -0.345 1
1 1090 . 16 1 1 A 84 84 MET C C 84 175.920 174.670 1.250 1
1 1091 . 16 1 1 A 84 84 MET CA C 84 55.880 54.484 1.396 1
1 1092 . 16 1 1 A 84 84 MET CB C 84 33.070 30.859 2.211 1
1 1095 . 16 1 1 A 85 85 SER H H 85 7.256 7.841 -0.585 1
1 1096 . 16 1 1 A 85 85 SER HA H 85 4.401 4.646 -0.245 1
1 1099 . 16 1 1 A 85 85 SER C C 85 173.380 173.382 -0.002 1
1 1100 . 16 1 1 A 85 85 SER CA C 85 58.230 57.438 0.792 1
1 1101 . 16 1 1 A 85 85 SER CB C 85 64.290 65.731 -1.441 1
1 1102 . 16 1 1 A 85 85 SER N N 85 111.370 113.744 -2.374 1
1 1103 . 16 1 1 A 86 86 ASP H H 86 8.517 8.920 -0.403 1
1 1104 . 16 1 1 A 86 86 ASP HA H 86 4.692 4.798 -0.106 1
1 1107 . 16 1 1 A 86 86 ASP C C 86 175.860 176.902 -1.042 1
1 1108 . 16 1 1 A 86 86 ASP CA C 86 54.150 55.492 -1.342 1
1 1109 . 16 1 1 A 86 86 ASP CB C 86 41.360 43.430 -2.070 1
1 1110 . 16 1 1 A 86 86 ASP N N 86 123.320 121.822 1.498 1
1 1111 . 16 1 1 A 87 87 ASP H H 87 8.412 8.428 -0.016 1
1 1112 . 16 1 1 A 87 87 ASP HA H 87 4.529 4.590 -0.061 1
1 1115 . 16 1 1 A 87 87 ASP C C 87 175.270 176.646 -1.376 1
1 1116 . 16 1 1 A 87 87 ASP CA C 87 54.870 56.227 -1.357 1
1 1117 . 16 1 1 A 87 87 ASP CB C 87 41.580 41.715 -0.135 1
1 1118 . 16 1 1 A 87 87 ASP N N 87 118.900 118.039 0.861 1
1 1119 . 16 1 1 A 88 88 LYS H H 88 7.869 7.622 0.247 1
1 1120 . 16 1 1 A 88 88 LYS HA H 88 4.372 4.730 -0.358 1
1 1129 . 16 1 1 A 88 88 LYS C C 88 174.870 175.050 -0.180 1
1 1130 . 16 1 1 A 88 88 LYS CA C 88 54.580 55.099 -0.519 1
1 1131 . 16 1 1 A 88 88 LYS CB C 88 34.047 35.624 -1.577 1
1 1135 . 16 1 1 A 88 88 LYS N N 88 118.310 112.726 5.584 1
1 1136 . 16 1 1 A 89 89 ILE H H 89 8.604 8.824 -0.220 1
1 1137 . 16 1 1 A 89 89 ILE HA H 89 3.873 4.182 -0.309 1
1 1147 . 16 1 1 A 89 89 ILE C C 89 174.480 175.006 -0.526 1
1 1148 . 16 1 1 A 89 89 ILE CA C 89 61.890 61.255 0.635 1
1 1149 . 16 1 1 A 89 89 ILE CB C 89 36.398 36.595 -0.197 1
1 1153 . 16 1 1 A 89 89 ILE N N 89 121.510 122.405 -0.895 1
1 1154 . 16 1 1 A 90 90 GLN H H 90 8.015 8.405 -0.390 1
1 1155 . 16 1 1 A 90 90 GLN HA H 90 5.033 4.552 0.481 1
1 1162 . 16 1 1 A 90 90 GLN CA C 90 52.110 53.910 -1.800 1
1 1163 . 16 1 1 A 90 90 GLN CB C 90 32.045 28.210 3.835 1
1 1165 . 16 1 1 A 90 90 GLN N N 90 126.430 125.515 0.915 1
1 1167 . 16 1 1 A 91 91 PRO HA H 91 4.508 4.697 -0.189 1
1 1174 . 16 1 1 A 91 91 PRO C C 91 175.210 176.981 -1.771 1
1 1175 . 16 1 1 A 91 91 PRO CA C 91 61.680 62.221 -0.541 1
1 1176 . 16 1 1 A 91 91 PRO CB C 91 32.854 32.960 -0.106 1
1 1179 . 16 1 1 A 92 92 ALA H H 92 8.014 8.479 -0.465 1
1 1180 . 16 1 1 A 92 92 ALA HA H 92 3.931 4.291 -0.360 1
1 1184 . 16 1 1 A 92 92 ALA CA C 92 55.270 54.673 0.597 1
1 1185 . 16 1 1 A 92 92 ALA CB C 92 18.838 19.334 -0.496 1
1 1186 . 16 1 1 A 92 92 ALA N N 92 121.420 122.228 -0.808 1
1 1187 . 16 1 1 A 93 93 SER H H 93 7.391 7.826 -0.435 1
1 1188 . 16 1 1 A 93 93 SER HA H 93 4.223 4.554 -0.331 1
1 1191 . 16 1 1 A 93 93 SER C C 93 171.670 172.800 -1.130 1
1 1192 . 16 1 1 A 93 93 SER CA C 93 57.240 57.146 0.094 1
1 1193 . 16 1 1 A 93 93 SER CB C 93 63.620 64.859 -1.239 1
1 1194 . 16 1 1 A 93 93 SER N N 93 105.210 110.134 -4.924 1
1 1195 . 16 1 1 A 94 94 ALA H H 94 8.276 8.335 -0.059 1
1 1196 . 16 1 1 A 94 94 ALA HA H 94 4.113 4.485 -0.372 1
1 1200 . 16 1 1 A 94 94 ALA C C 94 177.150 177.184 -0.034 1
1 1201 . 16 1 1 A 94 94 ALA CA C 94 53.810 52.406 1.404 1
1 1202 . 16 1 1 A 94 94 ALA CB C 94 19.219 19.034 0.185 1
1 1203 . 16 1 1 A 94 94 ALA N N 94 117.972 125.459 -7.487 1
1 1204 . 16 1 1 A 95 95 VAL H H 95 7.886 8.759 -0.873 1
1 1205 . 16 1 1 A 95 95 VAL HA H 95 5.037 4.881 0.156 1
1 1213 . 16 1 1 A 95 95 VAL C C 95 174.060 175.868 -1.808 1
1 1214 . 16 1 1 A 95 95 VAL CA C 95 57.510 59.846 -2.336 1
1 1215 . 16 1 1 A 95 95 VAL CB C 95 35.106 34.174 0.932 1
1 1218 . 16 1 1 A 95 95 VAL N N 95 108.410 118.872 -10.462 1
1 1219 . 16 1 1 A 96 96 ASN H H 96 9.178 8.644 0.534 1
1 1220 . 16 1 1 A 96 96 ASN HA H 96 4.897 5.183 -0.286 1
1 1225 . 16 1 1 A 96 96 ASN C C 96 176.600 175.790 0.810 1
1 1226 . 16 1 1 A 96 96 ASN CA C 96 50.790 52.250 -1.460 1
1 1227 . 16 1 1 A 96 96 ASN CB C 96 39.637 39.024 0.613 1
1 1228 . 16 1 1 A 96 96 ASN N N 96 121.250 120.967 0.283 1
1 1230 . 16 1 1 A 97 97 VAL H H 97 8.503 8.019 0.484 1
1 1231 . 16 1 1 A 97 97 VAL HA H 97 4.421 4.635 -0.214 1
1 1239 . 16 1 1 A 97 97 VAL C C 97 176.450 176.452 -0.002 1
1 1240 . 16 1 1 A 97 97 VAL CA C 97 66.030 60.995 5.035 1
1 1241 . 16 1 1 A 97 97 VAL CB C 97 30.552 31.975 -1.423 1
1 1244 . 16 1 1 A 97 97 VAL N N 97 129.670 118.598 11.072 1
1 1245 . 16 1 1 A 98 98 ILE H H 98 8.129 7.588 0.541 1
1 1246 . 16 1 1 A 98 98 ILE HA H 98 4.628 3.786 0.842 1
1 1256 . 16 1 1 A 98 98 ILE C C 98 174.270 176.350 -2.080 1
1 1257 . 16 1 1 A 98 98 ILE CA C 98 61.240 63.227 -1.987 1
1 1258 . 16 1 1 A 98 98 ILE CB C 98 39.812 37.327 2.485 1
1 1262 . 16 1 1 A 98 98 ILE N N 98 119.500 120.164 -0.664 1
1 1263 . 16 1 1 A 99 99 GLY H H 99 7.668 7.581 0.087 1
1 1264 . 16 1 1 A 99 99 GLY HA2 H 99 4.435 4.168 0.267 1
1 1265 . 16 1 1 A 99 99 GLY HA3 H 99 4.637 4.206 0.431 1
1 1266 . 16 1 1 A 99 99 GLY C C 99 172.410 172.215 0.195 1
1 1267 . 16 1 1 A 99 99 GLY CA C 99 46.906 44.238 2.668 1
1 1268 . 16 1 1 A 99 99 GLY N N 99 107.230 110.991 -3.761 1
1 1269 . 16 1 1 A 100 100 LYS H H 100 8.347 8.613 -0.266 1
1 1270 . 16 1 1 A 100 100 LYS HA H 100 5.540 5.159 0.381 1
1 1279 . 16 1 1 A 100 100 LYS C C 100 175.740 174.987 0.753 1
1 1280 . 16 1 1 A 100 100 LYS CA C 100 54.150 54.899 -0.749 1
1 1281 . 16 1 1 A 100 100 LYS CB C 100 37.900 36.172 1.728 1
1 1285 . 16 1 1 A 100 100 LYS N N 100 119.730 121.189 -1.459 1
1 1286 . 16 1 1 A 101 101 ILE H H 101 9.542 9.223 0.319 1
1 1287 . 16 1 1 A 101 101 ILE HA H 101 4.184 4.233 -0.049 1
1 1297 . 16 1 1 A 101 101 ILE C C 101 176.010 176.037 -0.027 1
1 1298 . 16 1 1 A 101 101 ILE CA C 101 62.940 61.584 1.356 1
1 1299 . 16 1 1 A 101 101 ILE CB C 101 39.212 37.169 2.043 1
1 1303 . 16 1 1 A 101 101 ILE N N 101 124.050 127.104 -3.054 1
1 1304 . 16 1 1 A 102 102 VAL H H 102 8.728 8.861 -0.133 1
1 1305 . 16 1 1 A 102 102 VAL HA H 102 4.591 4.331 0.260 1
1 1313 . 16 1 1 A 102 102 VAL C C 102 175.730 175.525 0.205 1
1 1314 . 16 1 1 A 102 102 VAL CA C 102 62.030 63.039 -1.009 1
1 1315 . 16 1 1 A 102 102 VAL CB C 102 33.307 33.003 0.304 1
1 1318 . 16 1 1 A 102 102 VAL N N 102 121.420 128.377 -6.957 1
1 1319 . 16 1 1 A 103 103 GLU H H 103 7.912 7.752 0.160 1
1 1320 . 16 1 1 A 103 103 GLU HA H 103 4.661 4.567 0.094 1
1 1325 . 16 1 1 A 103 103 GLU C C 103 176.520 175.997 0.523 1
1 1326 . 16 1 1 A 103 103 GLU CA C 103 56.550 55.293 1.257 1
1 1327 . 16 1 1 A 103 103 GLU CB C 103 34.180 33.103 1.077 1
1 1329 . 16 1 1 A 103 103 GLU N N 103 120.750 119.432 1.318 1
1 1330 . 16 1 1 A 104 104 GLY H H 104 8.934 8.778 0.156 1
1 1331 . 16 1 1 A 104 104 GLY HA2 H 104 3.932 3.941 -0.009 1
1 1332 . 16 1 1 A 104 104 GLY HA3 H 104 4.345 3.960 0.385 1
1 1333 . 16 1 1 A 104 104 GLY C C 104 175.230 174.789 0.441 1
1 1334 . 16 1 1 A 104 104 GLY CA C 104 46.616 46.684 -0.068 1
1 1335 . 16 1 1 A 104 104 GLY N N 104 111.140 111.425 -0.285 1
1 1336 . 16 1 1 A 105 105 LEU H H 105 8.158 7.888 0.270 1
1 1337 . 16 1 1 A 105 105 LEU HA H 105 3.702 4.136 -0.434 1
1 1347 . 16 1 1 A 105 105 LEU C C 105 179.250 178.652 0.598 1
1 1348 . 16 1 1 A 105 105 LEU CA C 105 59.400 57.295 2.105 1
1 1349 . 16 1 1 A 105 105 LEU CB C 105 42.743 42.435 0.308 1
1 1353 . 16 1 1 A 105 105 LEU N N 105 121.390 121.423 -0.033 1
1 1354 . 16 1 1 A 106 106 GLU H H 106 8.944 8.544 0.400 1
1 1355 . 16 1 1 A 106 106 GLU HA H 106 3.978 4.147 -0.169 1
1 1360 . 16 1 1 A 106 106 GLU C C 106 178.120 177.456 0.664 1
1 1361 . 16 1 1 A 106 106 GLU CA C 106 58.720 59.275 -0.555 1
1 1362 . 16 1 1 A 106 106 GLU CB C 106 28.920 29.124 -0.204 1
1 1364 . 16 1 1 A 106 106 GLU N N 106 113.860 119.062 -5.202 1
1 1365 . 16 1 1 A 107 107 ASP H H 107 7.538 8.070 -0.532 1
1 1366 . 16 1 1 A 107 107 ASP HA H 107 4.344 4.469 -0.125 1
1 1369 . 16 1 1 A 107 107 ASP C C 107 178.190 177.495 0.695 1
1 1370 . 16 1 1 A 107 107 ASP CA C 107 55.780 55.221 0.559 1
1 1371 . 16 1 1 A 107 107 ASP CB C 107 41.191 40.478 0.713 1
1 1372 . 16 1 1 A 107 107 ASP N N 107 119.620 119.571 0.049 1
1 1373 . 16 1 1 A 108 108 LEU H H 108 7.115 7.272 -0.157 1
1 1374 . 16 1 1 A 108 108 LEU HA H 108 3.357 3.672 -0.315 1
1 1384 . 16 1 1 A 108 108 LEU C C 108 177.920 179.213 -1.293 1
1 1385 . 16 1 1 A 108 108 LEU CA C 108 57.000 57.039 -0.039 1
1 1386 . 16 1 1 A 108 108 LEU CB C 108 38.445 40.736 -2.291 1
1 1390 . 16 1 1 A 108 108 LEU N N 108 117.551 119.953 -2.402 1
1 1391 . 16 1 1 A 109 109 LYS H H 109 7.179 7.817 -0.638 1
1 1392 . 16 1 1 A 109 109 LYS HA H 109 3.879 4.160 -0.281 1
1 1401 . 16 1 1 A 109 109 LYS C C 109 176.650 179.139 -2.489 1
1 1402 . 16 1 1 A 109 109 LYS CA C 109 57.792 59.063 -1.271 1
1 1403 . 16 1 1 A 109 109 LYS CB C 109 32.184 31.936 0.248 1
1 1407 . 16 1 1 A 109 109 LYS N N 109 115.080 118.170 -3.090 1
1 1408 . 16 1 1 A 110 110 LYS H H 110 7.364 7.990 -0.626 1
1 1409 . 16 1 1 A 110 110 LYS HA H 110 4.016 4.235 -0.219 1
1 1418 . 16 1 1 A 110 110 LYS C C 110 175.890 176.858 -0.968 1
1 1419 . 16 1 1 A 110 110 LYS CA C 110 56.550 58.199 -1.649 1
1 1420 . 16 1 1 A 110 110 LYS CB C 110 32.972 32.015 0.957 1
1 1424 . 16 1 1 A 110 110 LYS N N 110 116.720 115.415 1.305 1
1 1425 . 16 1 1 A 111 111 ILE H H 111 6.626 7.107 -0.481 1
1 1426 . 16 1 1 A 111 111 ILE HA H 111 3.531 3.970 -0.439 1
1 1436 . 16 1 1 A 111 111 ILE C C 111 176.180 175.508 0.672 1
1 1437 . 16 1 1 A 111 111 ILE CA C 111 59.950 61.127 -1.177 1
1 1438 . 16 1 1 A 111 111 ILE CB C 111 34.946 37.687 -2.741 1
1 1442 . 16 1 1 A 111 111 ILE N N 111 117.000 121.743 -4.743 1
1 1443 . 16 1 1 A 112 112 LYS H H 112 8.388 8.488 -0.100 1
1 1444 . 16 1 1 A 112 112 LYS HA H 112 4.356 4.745 -0.389 1
1 1453 . 16 1 1 A 112 112 LYS C C 112 175.750 177.205 -1.455 1
1 1454 . 16 1 1 A 112 112 LYS CA C 112 54.430 54.335 0.095 1
1 1455 . 16 1 1 A 112 112 LYS CB C 112 33.936 34.874 -0.938 1
1 1459 . 16 1 1 A 112 112 LYS N N 112 128.240 122.842 5.398 1
1 1460 . 16 1 1 A 113 113 ASP H H 113 8.103 8.919 -0.816 1
1 1461 . 16 1 1 A 113 113 ASP HA H 113 4.026 4.859 -0.833 1
1 1464 . 16 1 1 A 113 113 ASP C C 113 177.630 176.675 0.955 1
1 1465 . 16 1 1 A 113 113 ASP CA C 113 56.660 54.220 2.440 1
1 1466 . 16 1 1 A 113 113 ASP CB C 113 42.033 41.274 0.759 1
1 1467 . 16 1 1 A 113 113 ASP N N 113 119.040 121.603 -2.563 1
1 1468 . 16 1 1 A 114 114 GLY H H 114 8.635 7.479 1.156 1
1 1469 . 16 1 1 A 114 114 GLY HA2 H 114 3.547 4.073 -0.526 1
1 1470 . 16 1 1 A 114 114 GLY HA3 H 114 4.229 4.079 0.150 1
1 1471 . 16 1 1 A 114 114 GLY C C 114 174.640 173.764 0.876 1
1 1472 . 16 1 1 A 114 114 GLY CA C 114 45.403 45.742 -0.339 1
1 1473 . 16 1 1 A 114 114 GLY N N 114 113.170 106.567 6.603 1
1 1474 . 16 1 1 A 115 115 GLU H H 115 7.346 8.613 -1.267 1
1 1475 . 16 1 1 A 115 115 GLU HA H 115 4.113 4.604 -0.491 1
1 1480 . 16 1 1 A 115 115 GLU C C 115 175.840 175.472 0.368 1
1 1481 . 16 1 1 A 115 115 GLU CA C 115 58.180 55.442 2.738 1
1 1482 . 16 1 1 A 115 115 GLU CB C 115 30.902 30.606 0.296 1
1 1484 . 16 1 1 A 115 115 GLU N N 115 119.440 122.140 -2.700 1
1 1485 . 16 1 1 A 116 116 LYS H H 116 9.107 7.967 1.140 1
1 1486 . 16 1 1 A 116 116 LYS HA H 116 4.529 3.991 0.538 1
1 1495 . 16 1 1 A 116 116 LYS C C 116 176.050 175.084 0.966 1
1 1496 . 16 1 1 A 116 116 LYS CA C 116 56.820 57.004 -0.184 1
1 1497 . 16 1 1 A 116 116 LYS CB C 116 33.358 30.703 2.655 1
1 1501 . 16 1 1 A 116 116 LYS N N 116 121.800 115.925 5.875 1
1 1502 . 16 1 1 A 117 117 VAL H H 117 7.860 7.874 -0.014 1
1 1503 . 16 1 1 A 117 117 VAL HA H 117 4.668 3.579 1.089 1
1 1511 . 16 1 1 A 117 117 VAL C C 117 171.630 174.744 -3.114 1
1 1512 . 16 1 1 A 117 117 VAL CA C 117 57.440 62.403 -4.963 1
1 1513 . 16 1 1 A 117 117 VAL CB C 117 34.614 31.875 2.739 1
1 1516 . 16 1 1 A 117 117 VAL N N 117 118.940 118.565 0.375 1
1 1517 . 16 1 1 A 118 118 ALA H H 118 8.310 8.524 -0.214 1
1 1518 . 16 1 1 A 118 118 ALA HA H 118 4.506 4.597 -0.091 1
1 1522 . 16 1 1 A 118 118 ALA C C 118 174.660 176.265 -1.605 1
1 1523 . 16 1 1 A 118 118 ALA CA C 118 50.370 50.700 -0.330 1
1 1524 . 16 1 1 A 118 118 ALA CB C 118 20.250 20.076 0.174 1
1 1525 . 16 1 1 A 118 118 ALA N N 118 130.190 131.151 -0.961 1
1 1526 . 16 1 1 A 119 119 VAL H H 119 8.295 8.756 -0.461 1
1 1527 . 16 1 1 A 119 119 VAL HA H 119 4.096 4.574 -0.478 1
1 1535 . 16 1 1 A 119 119 VAL C C 119 175.320 174.457 0.863 1
1 1536 . 16 1 1 A 119 119 VAL CA C 119 61.570 61.021 0.549 1
1 1537 . 16 1 1 A 119 119 VAL CB C 119 31.445 32.151 -0.706 1
1 1540 . 16 1 1 A 119 119 VAL N N 119 123.160 122.618 0.542 1
1 1541 . 16 1 1 A 120 120 ARG H H 120 8.596 8.649 -0.053 1
1 1542 . 16 1 1 A 120 120 ARG HA H 120 4.534 4.712 -0.178 1
1 1550 . 16 1 1 A 120 120 ARG C C 120 175.260 175.935 -0.675 1
1 1551 . 16 1 1 A 120 120 ARG CA C 120 53.740 53.755 -0.015 1
1 1552 . 16 1 1 A 120 120 ARG CB C 120 34.359 33.988 0.371 1
1 1555 . 16 1 1 A 120 120 ARG N N 120 123.692 124.604 -0.912 1
1 1557 . 16 1 1 A 121 121 PHE H H 121 8.585 8.870 -0.285 1
1 1558 . 16 1 1 A 121 121 PHE HA H 121 4.591 4.409 0.182 1
1 1566 . 16 1 1 A 121 121 PHE C C 121 176.430 175.009 1.421 1
1 1567 . 16 1 1 A 121 121 PHE CA C 121 60.370 57.771 2.599 1
1 1568 . 16 1 1 A 121 121 PHE CB C 121 38.713 39.139 -0.426 1
1 1572 . 16 1 1 A 121 121 PHE N N 121 120.110 119.246 0.864 1
1 1573 . 16 1 1 A 122 122 ALA H H 122 7.896 7.994 -0.098 1
1 1574 . 16 1 1 A 122 122 ALA HA H 122 4.304 4.021 0.283 1
1 1578 . 16 1 1 A 122 122 ALA C C 122 177.430 177.496 -0.066 1
1 1579 . 16 1 1 A 122 122 ALA CA C 122 52.050 52.870 -0.820 1
1 1580 . 16 1 1 A 122 122 ALA CB C 122 19.865 17.636 2.229 1
1 1581 . 16 1 1 A 122 122 ALA N N 122 123.820 121.078 2.742 1
1 1582 . 16 1 1 A 123 123 SER H H 123 8.675 8.509 0.166 1
1 1583 . 16 1 1 A 123 123 SER HA H 123 4.372 4.479 -0.107 1
1 1586 . 16 1 1 A 123 123 SER C C 123 173.630 174.057 -0.427 1
1 1587 . 16 1 1 A 123 123 SER CA C 123 58.750 58.311 0.439 1
1 1588 . 16 1 1 A 123 123 SER CB C 123 63.870 63.264 0.606 1
1 1589 . 16 1 1 A 123 123 SER N N 123 117.330 116.345 0.985 1
1 14 . 17 1 1 A 2 2 ARG H H 2 9.247 8.711 0.536 1
1 15 . 17 1 1 A 2 2 ARG HA H 2 5.249 4.502 0.747 1
1 23 . 17 1 1 A 2 2 ARG C C 2 176.020 175.752 0.268 1
1 24 . 17 1 1 A 2 2 ARG CA C 2 56.360 57.052 -0.692 1
1 25 . 17 1 1 A 2 2 ARG CB C 2 31.953 31.328 0.625 1
1 28 . 17 1 1 A 2 2 ARG N N 2 129.420 126.869 2.551 1
1 30 . 17 1 1 A 3 3 VAL H H 3 9.361 8.565 0.796 1
1 31 . 17 1 1 A 3 3 VAL HA H 3 4.464 4.993 -0.529 1
1 39 . 17 1 1 A 3 3 VAL C C 3 173.160 174.212 -1.052 1
1 40 . 17 1 1 A 3 3 VAL CA C 3 61.330 60.193 1.137 1
1 41 . 17 1 1 A 3 3 VAL CB C 3 36.251 35.958 0.293 1
1 44 . 17 1 1 A 3 3 VAL N N 3 126.750 121.741 5.009 1
1 45 . 17 1 1 A 4 4 GLU H H 4 9.294 9.178 0.116 1
1 46 . 17 1 1 A 4 4 GLU HA H 4 4.807 5.234 -0.427 1
1 51 . 17 1 1 A 4 4 GLU C C 4 173.020 174.614 -1.594 1
1 52 . 17 1 1 A 4 4 GLU CA C 4 54.890 54.742 0.148 1
1 53 . 17 1 1 A 4 4 GLU CB C 4 33.146 33.529 -0.383 1
1 55 . 17 1 1 A 4 4 GLU N N 4 128.550 126.936 1.614 1
1 56 . 17 1 1 A 5 5 LEU H H 5 8.685 9.206 -0.521 1
1 57 . 17 1 1 A 5 5 LEU HA H 5 4.547 4.486 0.061 1
1 67 . 17 1 1 A 5 5 LEU C C 5 173.750 174.955 -1.205 1
1 68 . 17 1 1 A 5 5 LEU CA C 5 52.450 53.628 -1.178 1
1 69 . 17 1 1 A 5 5 LEU CB C 5 41.998 42.943 -0.945 1
1 73 . 17 1 1 A 5 5 LEU N N 5 124.490 126.999 -2.509 1
1 74 . 17 1 1 A 6 6 LEU H H 6 8.608 8.904 -0.296 1
1 75 . 17 1 1 A 6 6 LEU HA H 6 4.502 4.830 -0.328 1
1 85 . 17 1 1 A 6 6 LEU C C 6 176.550 175.762 0.788 1
1 86 . 17 1 1 A 6 6 LEU CA C 6 53.790 53.531 0.259 1
1 87 . 17 1 1 A 6 6 LEU CB C 6 42.240 41.988 0.252 1
1 91 . 17 1 1 A 6 6 LEU N N 6 123.330 125.690 -2.360 1
1 92 . 17 1 1 A 7 7 PHE H H 7 8.344 8.670 -0.326 1
1 93 . 17 1 1 A 7 7 PHE HA H 7 5.378 4.781 0.597 1
1 101 . 17 1 1 A 7 7 PHE C C 7 175.050 176.895 -1.845 1
1 102 . 17 1 1 A 7 7 PHE CA C 7 55.830 57.941 -2.111 1
1 103 . 17 1 1 A 7 7 PHE CB C 7 39.383 39.992 -0.609 1
1 108 . 17 1 1 A 7 7 PHE N N 7 125.190 125.066 0.124 1
1 109 . 17 1 1 A 8 8 GLU H H 8 8.226 9.245 -1.019 1
1 110 . 17 1 1 A 8 8 GLU HA H 8 4.266 4.118 0.148 1
1 115 . 17 1 1 A 8 8 GLU C C 8 180.740 178.217 2.523 1
1 116 . 17 1 1 A 8 8 GLU CA C 8 59.530 59.750 -0.220 1
1 117 . 17 1 1 A 8 8 GLU CB C 8 29.723 29.172 0.551 1
1 119 . 17 1 1 A 8 8 GLU N N 8 120.100 122.740 -2.640 1
1 120 . 17 1 1 A 9 9 SER H H 9 9.069 8.253 0.816 1
1 121 . 17 1 1 A 9 9 SER HA H 9 4.467 4.477 -0.010 1
1 124 . 17 1 1 A 9 9 SER C C 9 173.740 174.401 -0.661 1
1 125 . 17 1 1 A 9 9 SER CA C 9 58.600 59.211 -0.611 1
1 126 . 17 1 1 A 9 9 SER CB C 9 63.120 63.499 -0.379 1
1 127 . 17 1 1 A 9 9 SER N N 9 112.770 113.428 -0.658 1
1 128 . 17 1 1 A 10 10 GLY H H 10 6.925 7.560 -0.635 1
1 129 . 17 1 1 A 10 10 GLY HA2 H 10 3.896 4.066 -0.170 1
1 130 . 17 1 1 A 10 10 GLY HA3 H 10 3.896 4.086 -0.190 1
1 131 . 17 1 1 A 10 10 GLY C C 10 170.040 171.282 -1.242 1
1 132 . 17 1 1 A 10 10 GLY CA C 10 45.466 46.110 -0.644 1
1 133 . 17 1 1 A 10 10 GLY N N 10 105.760 105.819 -0.059 1
1 134 . 17 1 1 A 11 11 LYS H H 11 9.071 8.919 0.152 1
1 135 . 17 1 1 A 11 11 LYS HA H 11 5.484 5.703 -0.219 1
1 144 . 17 1 1 A 11 11 LYS C C 11 174.230 174.640 -0.410 1
1 145 . 17 1 1 A 11 11 LYS CA C 11 55.460 54.839 0.621 1
1 146 . 17 1 1 A 11 11 LYS CB C 11 36.408 36.304 0.104 1
1 150 . 17 1 1 A 11 11 LYS N N 11 118.960 116.710 2.250 1
1 151 . 17 1 1 A 12 12 CYS H H 12 8.917 9.272 -0.355 1
1 152 . 17 1 1 A 12 12 CYS HA H 12 5.083 5.601 -0.518 1
1 155 . 17 1 1 A 12 12 CYS C C 12 171.760 173.550 -1.790 1
1 156 . 17 1 1 A 12 12 CYS CA C 12 56.770 56.488 0.282 1
1 157 . 17 1 1 A 12 12 CYS CB C 12 31.267 32.128 -0.861 1
1 158 . 17 1 1 A 12 12 CYS N N 12 115.700 119.753 -4.053 1
1 159 . 17 1 1 A 13 13 VAL H H 13 8.474 9.045 -0.571 1
1 160 . 17 1 1 A 13 13 VAL HA H 13 4.992 4.682 0.310 1
1 168 . 17 1 1 A 13 13 VAL C C 13 175.660 175.097 0.563 1
1 169 . 17 1 1 A 13 13 VAL CA C 13 61.490 61.869 -0.379 1
1 170 . 17 1 1 A 13 13 VAL CB C 13 35.125 34.393 0.732 1
1 173 . 17 1 1 A 13 13 VAL N N 13 120.490 120.279 0.211 1
1 174 . 17 1 1 A 14 14 ILE H H 14 9.378 9.223 0.155 1
1 175 . 17 1 1 A 14 14 ILE HA H 14 5.335 5.345 -0.010 1
1 185 . 17 1 1 A 14 14 ILE C C 14 172.570 173.655 -1.085 1
1 186 . 17 1 1 A 14 14 ILE CA C 14 58.540 58.756 -0.216 1
1 187 . 17 1 1 A 14 14 ILE CB C 14 40.755 41.737 -0.982 1
1 191 . 17 1 1 A 14 14 ILE N N 14 120.140 121.127 -0.987 1
1 192 . 17 1 1 A 15 15 ASP H H 15 9.295 8.820 0.475 1
1 193 . 17 1 1 A 15 15 ASP HA H 15 5.274 5.251 0.023 1
1 196 . 17 1 1 A 15 15 ASP C C 15 176.510 174.483 2.027 1
1 197 . 17 1 1 A 15 15 ASP CA C 15 53.050 53.280 -0.230 1
1 198 . 17 1 1 A 15 15 ASP CB C 15 44.007 44.863 -0.856 1
1 199 . 17 1 1 A 15 15 ASP N N 15 123.200 121.815 1.385 1
1 200 . 17 1 1 A 16 16 LEU H H 16 8.892 8.892 0.000 1
1 201 . 17 1 1 A 16 16 LEU HA H 16 4.981 5.088 -0.107 1
1 211 . 17 1 1 A 16 16 LEU C C 16 175.430 176.120 -0.690 1
1 212 . 17 1 1 A 16 16 LEU CA C 16 53.040 53.767 -0.727 1
1 213 . 17 1 1 A 16 16 LEU CB C 16 45.782 45.368 0.414 1
1 217 . 17 1 1 A 16 16 LEU N N 16 123.620 125.055 -1.435 1
1 218 . 17 1 1 A 17 17 ASN H H 17 8.694 8.843 -0.149 1
1 219 . 17 1 1 A 17 17 ASN HA H 17 4.632 4.787 -0.155 1
1 224 . 17 1 1 A 17 17 ASN C C 17 175.500 176.488 -0.988 1
1 225 . 17 1 1 A 17 17 ASN CA C 17 53.310 53.667 -0.357 1
1 226 . 17 1 1 A 17 17 ASN CB C 17 38.508 39.684 -1.176 1
1 227 . 17 1 1 A 17 17 ASN N N 17 121.330 123.317 -1.987 1
1 229 . 17 1 1 A 18 18 GLU H H 18 8.793 9.203 -0.410 1
1 230 . 17 1 1 A 18 18 GLU HA H 18 3.736 4.483 -0.747 1
1 235 . 17 1 1 A 18 18 GLU C C 18 175.250 176.971 -1.721 1
1 236 . 17 1 1 A 18 18 GLU CA C 18 58.330 56.542 1.788 1
1 237 . 17 1 1 A 18 18 GLU CB C 18 29.947 29.977 -0.030 1
1 239 . 17 1 1 A 18 18 GLU N N 18 124.750 126.571 -1.821 1
1 240 . 17 1 1 A 19 19 GLU H H 19 8.187 8.135 0.052 1
1 241 . 17 1 1 A 19 19 GLU HA H 19 3.885 4.329 -0.444 1
1 246 . 17 1 1 A 19 19 GLU C C 19 177.350 174.892 2.458 1
1 247 . 17 1 1 A 19 19 GLU CA C 19 57.730 55.777 1.953 1
1 248 . 17 1 1 A 19 19 GLU CB C 19 29.744 30.073 -0.329 1
1 250 . 17 1 1 A 19 19 GLU N N 19 117.280 117.637 -0.357 1
1 251 . 17 1 1 A 20 20 TYR H H 20 7.135 7.643 -0.508 1
1 252 . 17 1 1 A 20 20 TYR HA H 20 4.668 4.884 -0.216 1
1 259 . 17 1 1 A 20 20 TYR CA C 20 56.050 56.479 -0.429 1
1 260 . 17 1 1 A 20 20 TYR CB C 20 38.464 40.954 -2.490 1
1 263 . 17 1 1 A 20 20 TYR N N 20 117.730 119.917 -2.187 1
1 264 . 17 1 1 A 21 21 GLU H H 21 10.044 9.025 1.019 1
1 265 . 17 1 1 A 21 21 GLU HA H 21 3.807 3.910 -0.103 1
1 270 . 17 1 1 A 21 21 GLU C C 21 179.150 178.371 0.779 1
1 271 . 17 1 1 A 21 21 GLU CA C 21 60.640 60.168 0.472 1
1 272 . 17 1 1 A 21 21 GLU CB C 21 29.167 29.761 -0.594 1
1 274 . 17 1 1 A 21 21 GLU N N 21 129.480 124.720 4.760 1
1 275 . 17 1 1 A 22 22 VAL H H 22 9.539 8.109 1.430 1
1 276 . 17 1 1 A 22 22 VAL HA H 22 3.574 3.683 -0.109 1
1 284 . 17 1 1 A 22 22 VAL C C 22 175.490 177.449 -1.959 1
1 285 . 17 1 1 A 22 22 VAL CA C 22 64.470 65.224 -0.754 1
1 286 . 17 1 1 A 22 22 VAL CB C 22 30.858 30.946 -0.088 1
1 289 . 17 1 1 A 22 22 VAL N N 22 115.360 118.885 -3.525 1
1 290 . 17 1 1 A 23 23 VAL H H 23 6.843 8.008 -1.165 1
1 291 . 17 1 1 A 23 23 VAL HA H 23 3.387 3.649 -0.262 1
1 299 . 17 1 1 A 23 23 VAL C C 23 176.900 177.728 -0.828 1
1 300 . 17 1 1 A 23 23 VAL CA C 23 67.030 66.621 0.409 1
1 301 . 17 1 1 A 23 23 VAL CB C 23 31.499 31.556 -0.057 1
1 304 . 17 1 1 A 23 23 VAL N N 23 121.150 121.298 -0.148 1
1 305 . 17 1 1 A 24 24 LYS H H 24 7.533 7.702 -0.169 1
1 306 . 17 1 1 A 24 24 LYS HA H 24 3.851 3.974 -0.123 1
1 315 . 17 1 1 A 24 24 LYS C C 24 179.820 179.593 0.227 1
1 316 . 17 1 1 A 24 24 LYS CA C 24 60.480 59.928 0.552 1
1 317 . 17 1 1 A 24 24 LYS CB C 24 32.626 32.293 0.333 1
1 321 . 17 1 1 A 24 24 LYS N N 24 120.120 119.531 0.589 1
1 322 . 17 1 1 A 25 25 LEU H H 25 7.870 8.066 -0.196 1
1 323 . 17 1 1 A 25 25 LEU HA H 25 4.097 4.073 0.024 1
1 333 . 17 1 1 A 25 25 LEU C C 25 180.620 179.251 1.369 1
1 334 . 17 1 1 A 25 25 LEU CA C 25 57.440 57.971 -0.531 1
1 335 . 17 1 1 A 25 25 LEU CB C 25 41.717 41.476 0.241 1
1 339 . 17 1 1 A 25 25 LEU N N 25 117.260 120.446 -3.186 1
1 340 . 17 1 1 A 26 26 LEU H H 26 8.489 8.526 -0.037 1
1 341 . 17 1 1 A 26 26 LEU HA H 26 3.703 3.922 -0.219 1
1 351 . 17 1 1 A 26 26 LEU C C 26 178.820 179.292 -0.472 1
1 352 . 17 1 1 A 26 26 LEU CA C 26 58.310 58.036 0.274 1
1 353 . 17 1 1 A 26 26 LEU CB C 26 42.487 41.564 0.923 1
1 357 . 17 1 1 A 26 26 LEU N N 26 121.760 118.942 2.818 1
1 358 . 17 1 1 A 27 27 LYS H H 27 8.190 8.209 -0.019 1
1 359 . 17 1 1 A 27 27 LYS HA H 27 3.799 4.297 -0.498 1
1 368 . 17 1 1 A 27 27 LYS C C 27 177.470 178.281 -0.811 1
1 369 . 17 1 1 A 27 27 LYS CA C 27 60.480 59.206 1.274 1
1 370 . 17 1 1 A 27 27 LYS CB C 27 33.472 32.148 1.324 1
1 374 . 17 1 1 A 27 27 LYS N N 27 117.650 120.155 -2.505 1
1 375 . 17 1 1 A 28 28 GLU H H 28 6.841 8.185 -1.344 1
1 376 . 17 1 1 A 28 28 GLU HA H 28 4.238 4.317 -0.079 1
1 381 . 17 1 1 A 28 28 GLU C C 28 177.280 179.150 -1.870 1
1 382 . 17 1 1 A 28 28 GLU CA C 28 57.370 58.469 -1.099 1
1 383 . 17 1 1 A 28 28 GLU CB C 28 30.480 29.866 0.614 1
1 385 . 17 1 1 A 28 28 GLU N N 28 111.940 118.297 -6.357 1
1 386 . 17 1 1 A 29 29 LYS H H 29 7.577 7.616 -0.039 1
1 387 . 17 1 1 A 29 29 LYS HA H 29 4.414 4.343 0.071 1
1 396 . 17 1 1 A 29 29 LYS C C 29 175.230 177.927 -2.697 1
1 397 . 17 1 1 A 29 29 LYS CA C 29 53.800 58.637 -4.837 1
1 398 . 17 1 1 A 29 29 LYS CB C 29 33.530 32.611 0.919 1
1 402 . 17 1 1 A 29 29 LYS N N 29 115.460 118.319 -2.859 1
1 403 . 17 1 1 A 30 30 ILE H H 30 6.921 7.786 -0.865 1
1 404 . 17 1 1 A 30 30 ILE HA H 30 3.939 4.374 -0.435 1
1 414 . 17 1 1 A 30 30 ILE CA C 30 60.290 60.589 -0.299 1
1 415 . 17 1 1 A 30 30 ILE CB C 30 39.967 37.694 2.273 1
1 419 . 17 1 1 A 30 30 ILE N N 30 122.100 120.395 1.705 1
1 420 . 17 1 1 A 31 31 PRO HA H 31 4.840 4.953 -0.113 1
1 427 . 17 1 1 A 31 31 PRO C C 31 175.340 176.675 -1.335 1
1 428 . 17 1 1 A 31 31 PRO CA C 31 62.720 62.336 0.384 1
1 429 . 17 1 1 A 31 31 PRO CB C 31 36.350 33.012 3.338 1
1 432 . 17 1 1 A 32 32 PHE H H 32 7.627 8.681 -1.054 1
1 433 . 17 1 1 A 32 32 PHE HA H 32 4.959 5.195 -0.236 1
1 441 . 17 1 1 A 32 32 PHE C C 32 171.870 172.517 -0.647 1
1 442 . 17 1 1 A 32 32 PHE CA C 32 56.300 56.010 0.290 1
1 443 . 17 1 1 A 32 32 PHE CB C 32 40.253 41.959 -1.706 1
1 447 . 17 1 1 A 32 32 PHE N N 32 112.880 118.414 -5.534 1
1 448 . 17 1 1 A 33 33 GLU H H 33 8.728 8.826 -0.098 1
1 449 . 17 1 1 A 33 33 GLU HA H 33 5.309 5.170 0.139 1
1 454 . 17 1 1 A 33 33 GLU C C 33 175.630 175.120 0.510 1
1 455 . 17 1 1 A 33 33 GLU CA C 33 54.450 54.683 -0.233 1
1 456 . 17 1 1 A 33 33 GLU CB C 33 33.814 34.052 -0.238 1
1 458 . 17 1 1 A 33 33 GLU N N 33 118.710 119.022 -0.312 1
1 459 . 17 1 1 A 34 34 SER H H 34 8.964 8.568 0.396 1
1 460 . 17 1 1 A 34 34 SER HA H 34 4.803 4.945 -0.142 1
1 463 . 17 1 1 A 34 34 SER C C 34 174.560 172.288 2.272 1
1 464 . 17 1 1 A 34 34 SER CA C 34 55.830 56.155 -0.325 1
1 465 . 17 1 1 A 34 34 SER CB C 34 64.270 65.460 -1.190 1
1 466 . 17 1 1 A 34 34 SER N N 34 115.150 115.257 -0.107 1
1 467 . 17 1 1 A 35 35 VAL H H 35 8.322 8.720 -0.398 1
1 468 . 17 1 1 A 35 35 VAL HA H 35 4.724 4.526 0.198 1
1 476 . 17 1 1 A 35 35 VAL C C 35 174.950 176.108 -1.158 1
1 477 . 17 1 1 A 35 35 VAL CA C 35 61.350 61.446 -0.096 1
1 478 . 17 1 1 A 35 35 VAL CB C 35 35.676 33.055 2.621 1
1 481 . 17 1 1 A 35 35 VAL N N 35 121.700 122.498 -0.798 1
1 482 . 17 1 1 A 36 36 VAL H H 36 9.200 8.703 0.497 1
1 483 . 17 1 1 A 36 36 VAL HA H 36 3.999 4.159 -0.160 1
1 491 . 17 1 1 A 36 36 VAL C C 36 175.490 175.485 0.005 1
1 492 . 17 1 1 A 36 36 VAL CA C 36 63.900 63.037 0.863 1
1 493 . 17 1 1 A 36 36 VAL CB C 36 33.593 31.482 2.111 1
1 496 . 17 1 1 A 36 36 VAL N N 36 123.870 128.216 -4.346 1
1 497 . 17 1 1 A 37 37 ASN H H 37 8.739 9.186 -0.447 1
1 498 . 17 1 1 A 37 37 ASN HA H 37 5.276 5.390 -0.114 1
1 503 . 17 1 1 A 37 37 ASN C C 37 174.040 174.603 -0.563 1
1 504 . 17 1 1 A 37 37 ASN CA C 37 51.960 51.703 0.257 1
1 505 . 17 1 1 A 37 37 ASN CB C 37 41.996 40.670 1.326 1
1 506 . 17 1 1 A 37 37 ASN N N 37 123.895 125.945 -2.050 1
1 508 . 17 1 1 A 38 38 THR H H 38 8.703 8.881 -0.178 1
1 509 . 17 1 1 A 38 38 THR HA H 38 5.323 5.349 -0.026 1
1 514 . 17 1 1 A 38 38 THR C C 38 174.910 172.922 1.988 1
1 515 . 17 1 1 A 38 38 THR CA C 38 59.740 60.485 -0.745 1
1 516 . 17 1 1 A 38 38 THR CB C 38 71.332 71.532 -0.200 1
1 518 . 17 1 1 A 38 38 THR N N 38 111.440 111.451 -0.011 1
1 519 . 17 1 1 A 39 39 TRP H H 39 8.489 8.936 -0.447 1
1 520 . 17 1 1 A 39 39 TRP HA H 39 4.838 4.985 -0.147 1
1 529 . 17 1 1 A 39 39 TRP C C 39 175.270 176.059 -0.789 1
1 530 . 17 1 1 A 39 39 TRP CA C 39 57.040 56.800 0.240 1
1 531 . 17 1 1 A 39 39 TRP CB C 39 29.089 31.830 -2.741 1
1 537 . 17 1 1 A 39 39 TRP N N 39 125.321 124.494 0.827 1
1 539 . 17 1 1 A 40 40 GLY H H 40 8.596 9.510 -0.914 1
1 540 . 17 1 1 A 40 40 GLY HA2 H 40 3.528 3.501 0.027 1
1 541 . 17 1 1 A 40 40 GLY HA3 H 40 3.465 3.711 -0.246 1
1 542 . 17 1 1 A 40 40 GLY CA C 40 47.619 46.574 1.045 1
1 543 . 17 1 1 A 40 40 GLY N N 40 113.220 114.339 -1.119 1
1 544 . 17 1 1 A 41 41 GLU H H 41 7.870 8.399 -0.529 1
1 545 . 17 1 1 A 41 41 GLU HA H 41 3.717 3.544 0.173 1
1 550 . 17 1 1 A 41 41 GLU C C 41 171.810 174.114 -2.304 1
1 551 . 17 1 1 A 41 41 GLU CA C 41 55.390 57.329 -1.939 1
1 552 . 17 1 1 A 41 41 GLU CB C 41 26.025 26.964 -0.939 1
1 554 . 17 1 1 A 41 41 GLU N N 41 128.227 111.344 16.883 1
1 555 . 17 1 1 A 42 42 GLU H H 42 7.158 7.695 -0.537 1
1 556 . 17 1 1 A 42 42 GLU HA H 42 4.811 4.848 -0.037 1
1 561 . 17 1 1 A 42 42 GLU C C 42 175.680 175.241 0.439 1
1 562 . 17 1 1 A 42 42 GLU CA C 42 53.860 55.250 -1.390 1
1 563 . 17 1 1 A 42 42 GLU CB C 42 31.149 33.069 -1.920 1
1 565 . 17 1 1 A 42 42 GLU N N 42 116.880 118.446 -1.566 1
1 566 . 17 1 1 A 43 43 ILE H H 43 8.226 8.715 -0.489 1
1 567 . 17 1 1 A 43 43 ILE HA H 43 4.934 5.344 -0.410 1
1 577 . 17 1 1 A 43 43 ILE C C 43 174.420 174.672 -0.252 1
1 578 . 17 1 1 A 43 43 ILE CA C 43 59.250 60.426 -1.176 1
1 579 . 17 1 1 A 43 43 ILE CB C 43 43.278 40.935 2.343 1
1 583 . 17 1 1 A 43 43 ILE N N 43 125.120 124.518 0.602 1
1 584 . 17 1 1 A 44 44 TYR H H 44 9.318 8.923 0.395 1
1 585 . 17 1 1 A 44 44 TYR HA H 44 6.008 5.626 0.382 1
1 592 . 17 1 1 A 44 44 TYR C C 44 174.150 173.313 0.837 1
1 593 . 17 1 1 A 44 44 TYR CA C 44 55.740 55.705 0.035 1
1 594 . 17 1 1 A 44 44 TYR CB C 44 42.606 42.068 0.538 1
1 597 . 17 1 1 A 44 44 TYR N N 44 124.370 123.284 1.086 1
1 598 . 17 1 1 A 45 45 PHE H H 45 8.211 9.029 -0.818 1
1 599 . 17 1 1 A 45 45 PHE HA H 45 5.088 5.414 -0.326 1
1 607 . 17 1 1 A 45 45 PHE C C 45 173.730 173.565 0.165 1
1 608 . 17 1 1 A 45 45 PHE CA C 45 55.140 55.926 -0.786 1
1 609 . 17 1 1 A 45 45 PHE CB C 45 40.793 41.636 -0.843 1
1 613 . 17 1 1 A 45 45 PHE N N 45 114.110 117.059 -2.949 1
1 614 . 17 1 1 A 46 46 SER H H 46 9.523 8.626 0.897 1
1 615 . 17 1 1 A 46 46 SER HA H 46 4.316 4.914 -0.598 1
1 618 . 17 1 1 A 46 46 SER C C 46 174.360 173.976 0.384 1
1 619 . 17 1 1 A 46 46 SER CA C 46 59.960 57.553 2.407 1
1 620 . 17 1 1 A 46 46 SER CB C 46 63.980 62.376 1.604 1
1 621 . 17 1 1 A 46 46 SER N N 46 117.150 114.990 2.160 1
1 622 . 17 1 1 A 47 47 THR H H 47 8.225 8.139 0.086 1
1 623 . 17 1 1 A 47 47 THR HA H 47 4.971 4.581 0.390 1
1 628 . 17 1 1 A 47 47 THR CA C 47 59.160 60.612 -1.452 1
1 629 . 17 1 1 A 47 47 THR CB C 47 70.385 68.685 1.700 1
1 631 . 17 1 1 A 47 47 THR N N 47 113.910 115.543 -1.633 1
1 632 . 17 1 1 A 48 48 PRO HA H 48 4.585 4.385 0.200 1
1 639 . 17 1 1 A 48 48 PRO C C 48 175.940 175.776 0.164 1
1 640 . 17 1 1 A 48 48 PRO CA C 48 62.410 63.823 -1.413 1
1 641 . 17 1 1 A 48 48 PRO CB C 48 31.770 31.570 0.200 1
1 644 . 17 1 1 A 49 49 VAL H H 49 7.458 7.459 -0.001 1
1 645 . 17 1 1 A 49 49 VAL HA H 49 4.178 4.580 -0.402 1
1 653 . 17 1 1 A 49 49 VAL C C 49 174.070 174.183 -0.113 1
1 654 . 17 1 1 A 49 49 VAL CA C 49 60.840 60.537 0.303 1
1 655 . 17 1 1 A 49 49 VAL CB C 49 34.134 34.159 -0.025 1
1 658 . 17 1 1 A 49 49 VAL N N 49 114.800 119.576 -4.776 1
1 659 . 17 1 1 A 50 50 ASN H H 50 8.897 9.162 -0.265 1
1 660 . 17 1 1 A 50 50 ASN HA H 50 4.684 5.880 -1.196 1
1 665 . 17 1 1 A 50 50 ASN C C 50 173.550 173.948 -0.398 1
1 666 . 17 1 1 A 50 50 ASN CA C 50 51.610 51.680 -0.070 1
1 667 . 17 1 1 A 50 50 ASN CB C 50 39.730 40.026 -0.296 1
1 668 . 17 1 1 A 50 50 ASN N N 50 126.400 126.522 -0.122 1
1 670 . 17 1 1 A 51 51 VAL H H 51 7.587 9.112 -1.525 1
1 671 . 17 1 1 A 51 51 VAL HA H 51 4.148 4.842 -0.694 1
1 679 . 17 1 1 A 51 51 VAL C C 51 174.350 175.701 -1.351 1
1 680 . 17 1 1 A 51 51 VAL CA C 51 61.280 59.052 2.228 1
1 681 . 17 1 1 A 51 51 VAL CB C 51 35.206 34.700 0.506 1
1 684 . 17 1 1 A 51 51 VAL N N 51 122.670 120.329 2.341 1
1 685 . 17 1 1 A 52 52 GLN H H 52 8.337 8.743 -0.406 1
1 686 . 17 1 1 A 52 52 GLN HA H 52 4.094 4.616 -0.522 1
1 693 . 17 1 1 A 52 52 GLN C C 52 176.240 175.749 0.491 1
1 694 . 17 1 1 A 52 52 GLN CA C 52 56.560 55.449 1.111 1
1 695 . 17 1 1 A 52 52 GLN CB C 52 29.745 29.237 0.508 1
1 697 . 17 1 1 A 52 52 GLN N N 52 122.670 120.236 2.434 1
1 699 . 17 1 1 A 53 53 LYS H H 53 7.363 7.567 -0.204 1
1 700 . 17 1 1 A 53 53 LYS HA H 53 3.994 4.579 -0.585 1
1 709 . 17 1 1 A 53 53 LYS C C 53 176.010 175.864 0.146 1
1 710 . 17 1 1 A 53 53 LYS CA C 53 56.960 56.163 0.797 1
1 711 . 17 1 1 A 53 53 LYS CB C 53 33.000 33.355 -0.355 1
1 715 . 17 1 1 A 53 53 LYS N N 53 119.940 122.480 -2.540 1
1 716 . 17 1 1 A 54 54 MET H H 54 8.797 8.648 0.149 1
1 717 . 17 1 1 A 54 54 MET HA H 54 4.449 4.973 -0.524 1
1 725 . 17 1 1 A 54 54 MET C C 54 174.630 175.390 -0.760 1
1 726 . 17 1 1 A 54 54 MET CA C 54 54.530 52.786 1.744 1
1 727 . 17 1 1 A 54 54 MET CB C 54 36.912 35.266 1.646 1
1 730 . 17 1 1 A 54 54 MET N N 54 124.720 124.325 0.395 1
1 731 . 17 1 1 A 55 55 GLU H H 55 9.773 8.830 0.943 1
1 732 . 17 1 1 A 55 55 GLU HA H 55 4.029 4.759 -0.730 1
1 737 . 17 1 1 A 55 55 GLU C C 55 176.930 177.077 -0.147 1
1 738 . 17 1 1 A 55 55 GLU CA C 55 59.910 56.898 3.012 1
1 739 . 17 1 1 A 55 55 GLU CB C 55 29.611 32.633 -3.022 1
1 741 . 17 1 1 A 55 55 GLU N N 55 124.250 117.896 6.354 1
1 742 . 17 1 1 A 56 56 ASN H H 56 8.371 8.068 0.303 1
1 743 . 17 1 1 A 56 56 ASN HA H 56 5.163 5.168 -0.005 1
1 748 . 17 1 1 A 56 56 ASN CA C 56 50.680 50.692 -0.012 1
1 749 . 17 1 1 A 56 56 ASN CB C 56 39.563 39.457 0.106 1
1 750 . 17 1 1 A 56 56 ASN N N 56 115.600 118.808 -3.208 1
1 752 . 17 1 1 A 57 57 PRO HA H 57 4.854 5.194 -0.340 1
1 759 . 17 1 1 A 57 57 PRO C C 57 178.760 176.220 2.540 1
1 760 . 17 1 1 A 57 57 PRO CA C 57 62.630 62.390 0.240 1
1 761 . 17 1 1 A 57 57 PRO CB C 57 32.197 32.191 0.006 1
1 764 . 17 1 1 A 58 58 ARG H H 58 9.448 8.770 0.678 1
1 765 . 17 1 1 A 58 58 ARG HA H 58 4.636 4.728 -0.092 1
1 773 . 17 1 1 A 58 58 ARG C C 58 175.430 176.121 -0.691 1
1 774 . 17 1 1 A 58 58 ARG CA C 58 54.210 54.390 -0.180 1
1 775 . 17 1 1 A 58 58 ARG CB C 58 34.208 33.308 0.900 1
1 778 . 17 1 1 A 58 58 ARG N N 58 122.690 122.288 0.402 1
1 780 . 17 1 1 A 59 59 GLU H H 59 8.694 8.832 -0.138 1
1 781 . 17 1 1 A 59 59 GLU HA H 59 4.096 4.489 -0.393 1
1 786 . 17 1 1 A 59 59 GLU C C 59 175.210 175.928 -0.718 1
1 787 . 17 1 1 A 59 59 GLU CA C 59 56.470 56.835 -0.365 1
1 788 . 17 1 1 A 59 59 GLU CB C 59 31.074 30.338 0.736 1
1 790 . 17 1 1 A 59 59 GLU N N 59 119.520 120.630 -1.110 1
1 791 . 17 1 1 A 60 60 VAL H H 60 7.296 7.472 -0.176 1
1 792 . 17 1 1 A 60 60 VAL HA H 60 4.471 4.587 -0.116 1
1 800 . 17 1 1 A 60 60 VAL C C 60 174.900 173.558 1.342 1
1 801 . 17 1 1 A 60 60 VAL CA C 60 61.058 60.377 0.681 1
1 802 . 17 1 1 A 60 60 VAL CB C 60 35.056 34.529 0.527 1
1 805 . 17 1 1 A 60 60 VAL N N 60 117.380 117.236 0.144 1
1 806 . 17 1 1 A 61 61 VAL H H 61 8.064 8.434 -0.370 1
1 807 . 17 1 1 A 61 61 VAL HA H 61 4.540 4.886 -0.346 1
1 815 . 17 1 1 A 61 61 VAL C C 61 172.880 174.708 -1.828 1
1 816 . 17 1 1 A 61 61 VAL CA C 61 58.820 58.825 -0.005 1
1 817 . 17 1 1 A 61 61 VAL CB C 61 33.464 35.818 -2.354 1
1 820 . 17 1 1 A 61 61 VAL N N 61 117.630 120.411 -2.781 1
1 821 . 17 1 1 A 62 62 GLU H H 62 8.620 8.819 -0.199 1
1 822 . 17 1 1 A 62 62 GLU HA H 62 4.543 4.752 -0.209 1
1 827 . 17 1 1 A 62 62 GLU C C 62 176.350 176.797 -0.447 1
1 828 . 17 1 1 A 62 62 GLU CA C 62 53.640 54.314 -0.674 1
1 829 . 17 1 1 A 62 62 GLU CB C 62 32.360 32.163 0.197 1
1 831 . 17 1 1 A 62 62 GLU N N 62 118.060 120.067 -2.007 1
1 832 . 17 1 1 A 63 63 ILE H H 63 8.520 8.397 0.123 1
1 833 . 17 1 1 A 63 63 ILE HA H 63 3.275 4.286 -1.011 1
1 843 . 17 1 1 A 63 63 ILE C C 63 177.940 176.693 1.247 1
1 844 . 17 1 1 A 63 63 ILE CA C 63 64.410 61.114 3.296 1
1 845 . 17 1 1 A 63 63 ILE CB C 63 37.674 36.128 1.546 1
1 849 . 17 1 1 A 63 63 ILE N N 63 120.310 122.634 -2.324 1
1 850 . 17 1 1 A 64 64 GLY H H 64 9.091 8.206 0.885 1
1 851 . 17 1 1 A 64 64 GLY HA2 H 64 3.563 4.146 -0.583 1
1 852 . 17 1 1 A 64 64 GLY HA3 H 64 4.774 4.185 0.589 1
1 853 . 17 1 1 A 64 64 GLY C C 64 173.290 174.031 -0.741 1
1 854 . 17 1 1 A 64 64 GLY CA C 64 45.359 45.041 0.318 1
1 855 . 17 1 1 A 64 64 GLY N N 64 116.340 115.700 0.640 1
1 856 . 17 1 1 A 65 65 ASP H H 65 8.335 8.183 0.152 1
1 857 . 17 1 1 A 65 65 ASP HA H 65 4.914 5.150 -0.236 1
1 860 . 17 1 1 A 65 65 ASP C C 65 175.180 175.300 -0.120 1
1 861 . 17 1 1 A 65 65 ASP CA C 65 56.630 53.700 2.930 1
1 862 . 17 1 1 A 65 65 ASP CB C 65 41.980 43.246 -1.266 1
1 863 . 17 1 1 A 65 65 ASP N N 65 121.610 120.184 1.426 1
1 864 . 17 1 1 A 66 66 VAL H H 66 7.580 8.946 -1.366 1
1 865 . 17 1 1 A 66 66 VAL HA H 66 5.085 4.922 0.163 1
1 873 . 17 1 1 A 66 66 VAL C C 66 176.170 175.920 0.250 1
1 874 . 17 1 1 A 66 66 VAL CA C 66 60.240 60.922 -0.682 1
1 875 . 17 1 1 A 66 66 VAL CB C 66 33.783 34.689 -0.906 1
1 878 . 17 1 1 A 66 66 VAL N N 66 117.330 119.763 -2.433 1
1 879 . 17 1 1 A 67 67 GLY H H 67 9.592 9.077 0.515 1
1 880 . 17 1 1 A 67 67 GLY HA2 H 67 5.899 4.433 1.466 1
1 881 . 17 1 1 A 67 67 GLY HA3 H 67 3.200 4.580 -1.380 1
1 882 . 17 1 1 A 67 67 GLY C C 67 171.740 171.750 -0.010 1
1 883 . 17 1 1 A 67 67 GLY CA C 67 43.580 44.407 -0.827 1
1 884 . 17 1 1 A 67 67 GLY N N 67 111.440 115.609 -4.169 1
1 885 . 17 1 1 A 68 68 TYR H H 68 9.146 8.983 0.163 1
1 886 . 17 1 1 A 68 68 TYR HA H 68 5.809 5.202 0.607 1
1 889 . 17 1 1 A 68 68 TYR C C 68 173.860 173.608 0.252 1
1 890 . 17 1 1 A 68 68 TYR CA C 68 55.900 56.116 -0.216 1
1 891 . 17 1 1 A 68 68 TYR CB C 68 42.170 41.608 0.562 1
1 892 . 17 1 1 A 68 68 TYR N N 68 119.980 121.855 -1.875 1
1 893 . 17 1 1 A 69 69 TRP H H 69 9.213 8.687 0.526 1
1 894 . 17 1 1 A 69 69 TRP HA H 69 5.268 5.013 0.255 1
1 902 . 17 1 1 A 69 69 TRP CA C 69 53.390 55.176 -1.786 1
1 903 . 17 1 1 A 69 69 TRP CB C 69 30.442 30.272 0.170 1
1 908 . 17 1 1 A 69 69 TRP N N 69 132.150 129.862 2.288 1
1 910 . 17 1 1 A 70 70 PRO HA H 70 3.923 4.050 -0.127 1
1 917 . 17 1 1 A 70 70 PRO CA C 70 66.753 64.841 1.912 1
1 918 . 17 1 1 A 70 70 PRO CB C 70 30.054 32.092 -2.038 1
1 921 . 17 1 1 A 71 71 PRO HA H 71 3.716 3.985 -0.269 1
1 928 . 17 1 1 A 71 71 PRO CA C 71 65.803 65.616 0.187 1
1 929 . 17 1 1 A 71 71 PRO CB C 71 30.620 30.447 0.173 1
1 932 . 17 1 1 A 72 72 GLY HA2 H 72 3.168 3.504 -0.336 1
1 933 . 17 1 1 A 72 72 GLY HA3 H 72 4.271 3.671 0.600 1
1 934 . 17 1 1 A 72 72 GLY C C 72 173.220 173.444 -0.224 1
1 935 . 17 1 1 A 72 72 GLY CA C 72 44.350 45.193 -0.843 1
1 936 . 17 1 1 A 73 73 LYS H H 73 7.989 7.306 0.683 1
1 937 . 17 1 1 A 73 73 LYS HA H 73 3.566 3.693 -0.127 1
1 946 . 17 1 1 A 73 73 LYS C C 73 177.420 175.339 2.081 1
1 947 . 17 1 1 A 73 73 LYS CA C 73 57.790 56.760 1.030 1
1 948 . 17 1 1 A 73 73 LYS CB C 73 29.398 30.862 -1.464 1
1 952 . 17 1 1 A 73 73 LYS N N 73 121.515 116.454 5.061 1
1 953 . 17 1 1 A 74 74 ALA H H 74 6.969 7.309 -0.340 1
1 954 . 17 1 1 A 74 74 ALA HA H 74 5.123 4.786 0.337 1
1 958 . 17 1 1 A 74 74 ALA C C 74 177.490 175.318 2.172 1
1 959 . 17 1 1 A 74 74 ALA CA C 74 51.900 51.048 0.852 1
1 960 . 17 1 1 A 74 74 ALA CB C 74 23.090 22.773 0.317 1
1 961 . 17 1 1 A 74 74 ALA N N 74 118.780 121.563 -2.783 1
1 962 . 17 1 1 A 75 75 LEU H H 75 8.032 7.780 0.252 1
1 963 . 17 1 1 A 75 75 LEU HA H 75 4.844 4.189 0.655 1
1 973 . 17 1 1 A 75 75 LEU C C 75 175.540 175.566 -0.026 1
1 974 . 17 1 1 A 75 75 LEU CA C 75 54.000 55.433 -1.433 1
1 975 . 17 1 1 A 75 75 LEU CB C 75 43.858 42.294 1.564 1
1 979 . 17 1 1 A 75 75 LEU N N 75 122.780 122.069 0.711 1
1 980 . 17 1 1 A 76 76 CYS H H 76 8.813 8.045 0.768 1
1 981 . 17 1 1 A 76 76 CYS HA H 76 5.178 5.169 0.009 1
1 984 . 17 1 1 A 76 76 CYS C C 76 173.080 172.709 0.371 1
1 985 . 17 1 1 A 76 76 CYS CA C 76 55.850 57.716 -1.866 1
1 986 . 17 1 1 A 76 76 CYS CB C 76 31.922 32.072 -0.150 1
1 987 . 17 1 1 A 76 76 CYS N N 76 117.950 121.354 -3.404 1
1 988 . 17 1 1 A 77 77 LEU H H 77 9.621 8.272 1.349 1
1 989 . 17 1 1 A 77 77 LEU HA H 77 4.741 4.958 -0.217 1
1 999 . 17 1 1 A 77 77 LEU C C 77 175.040 175.312 -0.272 1
1 1000 . 17 1 1 A 77 77 LEU CA C 77 53.510 53.553 -0.043 1
1 1001 . 17 1 1 A 77 77 LEU CB C 77 44.058 45.120 -1.062 1
1 1005 . 17 1 1 A 77 77 LEU N N 77 123.140 123.346 -0.206 1
1 1006 . 17 1 1 A 78 78 PHE H H 78 7.930 8.524 -0.594 1
1 1007 . 17 1 1 A 78 78 PHE HA H 78 4.809 5.174 -0.365 1
1 1015 . 17 1 1 A 78 78 PHE C C 78 174.830 175.600 -0.770 1
1 1016 . 17 1 1 A 78 78 PHE CA C 78 58.140 55.971 2.169 1
1 1017 . 17 1 1 A 78 78 PHE CB C 78 39.603 40.415 -0.812 1
1 1021 . 17 1 1 A 78 78 PHE N N 78 120.120 123.370 -3.250 1
1 1022 . 17 1 1 A 79 79 PHE H H 79 8.038 8.626 -0.588 1
1 1023 . 17 1 1 A 79 79 PHE HA H 79 5.029 5.063 -0.034 1
1 1031 . 17 1 1 A 79 79 PHE C C 79 172.070 175.036 -2.966 1
1 1032 . 17 1 1 A 79 79 PHE CA C 79 55.630 56.682 -1.052 1
1 1033 . 17 1 1 A 79 79 PHE CB C 79 39.003 40.460 -1.457 1
1 1037 . 17 1 1 A 79 79 PHE N N 79 119.040 119.426 -0.386 1
1 1038 . 17 1 1 A 80 80 GLY H H 80 7.489 7.542 -0.053 1
1 1039 . 17 1 1 A 80 80 GLY HA2 H 80 3.653 3.989 -0.336 1
1 1040 . 17 1 1 A 80 80 GLY HA3 H 80 4.283 4.139 0.144 1
1 1041 . 17 1 1 A 80 80 GLY C C 80 170.830 171.707 -0.877 1
1 1042 . 17 1 1 A 80 80 GLY CA C 80 45.342 45.999 -0.657 1
1 1043 . 17 1 1 A 80 80 GLY N N 80 110.010 108.382 1.628 1
1 1044 . 17 1 1 A 81 81 LYS H H 81 8.186 8.431 -0.245 1
1 1045 . 17 1 1 A 81 81 LYS HA H 81 4.003 4.742 -0.739 1
1 1054 . 17 1 1 A 81 81 LYS C C 81 177.530 175.366 2.164 1
1 1055 . 17 1 1 A 81 81 LYS CA C 81 57.730 55.084 2.646 1
1 1056 . 17 1 1 A 81 81 LYS CB C 81 33.293 34.458 -1.165 1
1 1060 . 17 1 1 A 81 81 LYS N N 81 117.260 122.822 -5.562 1
1 1061 . 17 1 1 A 82 82 THR H H 82 8.076 8.705 -0.629 1
1 1062 . 17 1 1 A 82 82 THR HA H 82 4.423 4.999 -0.576 1
1 1067 . 17 1 1 A 82 82 THR CA C 82 59.230 60.260 -1.030 1
1 1068 . 17 1 1 A 82 82 THR CB C 82 68.310 68.633 -0.323 1
1 1070 . 17 1 1 A 82 82 THR N N 82 113.611 117.548 -3.937 1
1 1071 . 17 1 1 A 83 83 PRO HA H 83 4.090 4.549 -0.459 1
1 1078 . 17 1 1 A 83 83 PRO CA C 83 63.743 62.139 1.604 1
1 1079 . 17 1 1 A 83 83 PRO CB C 83 32.167 28.839 3.328 1
1 1082 . 17 1 1 A 84 84 MET HA H 84 4.220 4.729 -0.509 1
1 1090 . 17 1 1 A 84 84 MET C C 84 175.920 174.870 1.050 1
1 1091 . 17 1 1 A 84 84 MET CA C 84 55.880 54.681 1.199 1
1 1092 . 17 1 1 A 84 84 MET CB C 84 33.070 34.737 -1.667 1
1 1095 . 17 1 1 A 85 85 SER H H 85 7.256 7.700 -0.444 1
1 1096 . 17 1 1 A 85 85 SER HA H 85 4.401 4.618 -0.217 1
1 1099 . 17 1 1 A 85 85 SER C C 85 173.380 172.483 0.897 1
1 1100 . 17 1 1 A 85 85 SER CA C 85 58.230 55.971 2.259 1
1 1101 . 17 1 1 A 85 85 SER CB C 85 64.290 65.044 -0.754 1
1 1102 . 17 1 1 A 85 85 SER N N 85 111.370 114.450 -3.080 1
1 1103 . 17 1 1 A 86 86 ASP H H 86 8.517 8.865 -0.348 1
1 1104 . 17 1 1 A 86 86 ASP HA H 86 4.692 4.826 -0.134 1
1 1107 . 17 1 1 A 86 86 ASP C C 86 175.860 176.870 -1.010 1
1 1108 . 17 1 1 A 86 86 ASP CA C 86 54.150 55.509 -1.359 1
1 1109 . 17 1 1 A 86 86 ASP CB C 86 41.360 43.711 -2.351 1
1 1110 . 17 1 1 A 86 86 ASP N N 86 123.320 121.749 1.571 1
1 1111 . 17 1 1 A 87 87 ASP H H 87 8.412 8.562 -0.150 1
1 1112 . 17 1 1 A 87 87 ASP HA H 87 4.529 4.549 -0.020 1
1 1115 . 17 1 1 A 87 87 ASP C C 87 175.270 176.677 -1.407 1
1 1116 . 17 1 1 A 87 87 ASP CA C 87 54.870 56.156 -1.286 1
1 1117 . 17 1 1 A 87 87 ASP CB C 87 41.580 41.486 0.094 1
1 1118 . 17 1 1 A 87 87 ASP N N 87 118.900 118.265 0.635 1
1 1119 . 17 1 1 A 88 88 LYS H H 88 7.869 7.142 0.727 1
1 1120 . 17 1 1 A 88 88 LYS HA H 88 4.372 4.711 -0.339 1
1 1129 . 17 1 1 A 88 88 LYS C C 88 174.870 175.010 -0.140 1
1 1130 . 17 1 1 A 88 88 LYS CA C 88 54.580 54.653 -0.073 1
1 1131 . 17 1 1 A 88 88 LYS CB C 88 34.047 34.016 0.031 1
1 1135 . 17 1 1 A 88 88 LYS N N 88 118.310 113.112 5.198 1
1 1136 . 17 1 1 A 89 89 ILE H H 89 8.604 8.737 -0.133 1
1 1137 . 17 1 1 A 89 89 ILE HA H 89 3.873 4.441 -0.568 1
1 1147 . 17 1 1 A 89 89 ILE C C 89 174.480 175.090 -0.610 1
1 1148 . 17 1 1 A 89 89 ILE CA C 89 61.890 60.757 1.133 1
1 1149 . 17 1 1 A 89 89 ILE CB C 89 36.398 36.888 -0.490 1
1 1153 . 17 1 1 A 89 89 ILE N N 89 121.510 120.690 0.820 1
1 1154 . 17 1 1 A 90 90 GLN H H 90 8.015 8.546 -0.531 1
1 1155 . 17 1 1 A 90 90 GLN HA H 90 5.033 4.664 0.369 1
1 1162 . 17 1 1 A 90 90 GLN CA C 90 52.110 53.907 -1.797 1
1 1163 . 17 1 1 A 90 90 GLN CB C 90 32.045 28.233 3.812 1
1 1165 . 17 1 1 A 90 90 GLN N N 90 126.430 125.506 0.924 1
1 1167 . 17 1 1 A 91 91 PRO HA H 91 4.508 4.806 -0.298 1
1 1174 . 17 1 1 A 91 91 PRO C C 91 175.210 177.217 -2.007 1
1 1175 . 17 1 1 A 91 91 PRO CA C 91 61.680 62.376 -0.696 1
1 1176 . 17 1 1 A 91 91 PRO CB C 91 32.854 33.073 -0.219 1
1 1179 . 17 1 1 A 92 92 ALA H H 92 8.014 8.369 -0.355 1
1 1180 . 17 1 1 A 92 92 ALA HA H 92 3.931 4.173 -0.242 1
1 1184 . 17 1 1 A 92 92 ALA CA C 92 55.270 54.019 1.251 1
1 1185 . 17 1 1 A 92 92 ALA CB C 92 18.838 18.567 0.271 1
1 1186 . 17 1 1 A 92 92 ALA N N 92 121.420 122.077 -0.657 1
1 1187 . 17 1 1 A 93 93 SER H H 93 7.391 7.778 -0.387 1
1 1188 . 17 1 1 A 93 93 SER HA H 93 4.223 4.644 -0.421 1
1 1191 . 17 1 1 A 93 93 SER C C 93 171.670 172.375 -0.705 1
1 1192 . 17 1 1 A 93 93 SER CA C 93 57.240 57.577 -0.337 1
1 1193 . 17 1 1 A 93 93 SER CB C 93 63.620 65.362 -1.742 1
1 1194 . 17 1 1 A 93 93 SER N N 93 105.210 109.533 -4.323 1
1 1195 . 17 1 1 A 94 94 ALA H H 94 8.276 8.389 -0.113 1
1 1196 . 17 1 1 A 94 94 ALA HA H 94 4.113 4.611 -0.498 1
1 1200 . 17 1 1 A 94 94 ALA C C 94 177.150 176.987 0.163 1
1 1201 . 17 1 1 A 94 94 ALA CA C 94 53.810 51.937 1.873 1
1 1202 . 17 1 1 A 94 94 ALA CB C 94 19.219 17.779 1.440 1
1 1203 . 17 1 1 A 94 94 ALA N N 94 117.972 124.385 -6.413 1
1 1204 . 17 1 1 A 95 95 VAL H H 95 7.886 8.149 -0.263 1
1 1205 . 17 1 1 A 95 95 VAL HA H 95 5.037 4.284 0.753 1
1 1213 . 17 1 1 A 95 95 VAL C C 95 174.060 175.659 -1.599 1
1 1214 . 17 1 1 A 95 95 VAL CA C 95 57.510 62.078 -4.568 1
1 1215 . 17 1 1 A 95 95 VAL CB C 95 35.106 32.905 2.201 1
1 1218 . 17 1 1 A 95 95 VAL N N 95 108.410 119.488 -11.078 1
1 1219 . 17 1 1 A 96 96 ASN H H 96 9.178 8.692 0.486 1
1 1220 . 17 1 1 A 96 96 ASN HA H 96 4.897 4.668 0.229 1
1 1225 . 17 1 1 A 96 96 ASN C C 96 176.600 174.715 1.885 1
1 1226 . 17 1 1 A 96 96 ASN CA C 96 50.790 53.555 -2.765 1
1 1227 . 17 1 1 A 96 96 ASN CB C 96 39.637 38.882 0.755 1
1 1228 . 17 1 1 A 96 96 ASN N N 96 121.250 123.546 -2.296 1
1 1230 . 17 1 1 A 97 97 VAL H H 97 8.503 9.004 -0.501 1
1 1231 . 17 1 1 A 97 97 VAL HA H 97 4.421 4.229 0.192 1
1 1239 . 17 1 1 A 97 97 VAL C C 97 176.450 176.714 -0.264 1
1 1240 . 17 1 1 A 97 97 VAL CA C 97 66.030 61.925 4.105 1
1 1241 . 17 1 1 A 97 97 VAL CB C 97 30.552 29.033 1.519 1
1 1244 . 17 1 1 A 97 97 VAL N N 97 129.670 127.110 2.560 1
1 1245 . 17 1 1 A 98 98 ILE H H 98 8.129 8.031 0.098 1
1 1246 . 17 1 1 A 98 98 ILE HA H 98 4.628 3.681 0.947 1
1 1256 . 17 1 1 A 98 98 ILE C C 98 174.270 176.015 -1.745 1
1 1257 . 17 1 1 A 98 98 ILE CA C 98 61.240 63.015 -1.775 1
1 1258 . 17 1 1 A 98 98 ILE CB C 98 39.812 37.798 2.014 1
1 1262 . 17 1 1 A 98 98 ILE N N 98 119.500 122.504 -3.004 1
1 1263 . 17 1 1 A 99 99 GLY H H 99 7.668 7.655 0.013 1
1 1264 . 17 1 1 A 99 99 GLY HA2 H 99 4.435 4.126 0.309 1
1 1265 . 17 1 1 A 99 99 GLY HA3 H 99 4.637 4.137 0.500 1
1 1266 . 17 1 1 A 99 99 GLY C C 99 172.410 172.314 0.096 1
1 1267 . 17 1 1 A 99 99 GLY CA C 99 46.906 45.020 1.886 1
1 1268 . 17 1 1 A 99 99 GLY N N 99 107.230 110.406 -3.176 1
1 1269 . 17 1 1 A 100 100 LYS H H 100 8.347 8.920 -0.573 1
1 1270 . 17 1 1 A 100 100 LYS HA H 100 5.540 5.120 0.420 1
1 1279 . 17 1 1 A 100 100 LYS C C 100 175.740 174.597 1.143 1
1 1280 . 17 1 1 A 100 100 LYS CA C 100 54.150 55.124 -0.974 1
1 1281 . 17 1 1 A 100 100 LYS CB C 100 37.900 36.279 1.621 1
1 1285 . 17 1 1 A 100 100 LYS N N 100 119.730 119.961 -0.231 1
1 1286 . 17 1 1 A 101 101 ILE H H 101 9.542 9.132 0.410 1
1 1287 . 17 1 1 A 101 101 ILE HA H 101 4.184 4.255 -0.071 1
1 1297 . 17 1 1 A 101 101 ILE C C 101 176.010 177.048 -1.038 1
1 1298 . 17 1 1 A 101 101 ILE CA C 101 62.940 61.482 1.458 1
1 1299 . 17 1 1 A 101 101 ILE CB C 101 39.212 36.905 2.307 1
1 1303 . 17 1 1 A 101 101 ILE N N 101 124.050 127.874 -3.824 1
1 1304 . 17 1 1 A 102 102 VAL H H 102 8.728 7.865 0.863 1
1 1305 . 17 1 1 A 102 102 VAL HA H 102 4.591 4.070 0.521 1
1 1313 . 17 1 1 A 102 102 VAL C C 102 175.730 175.990 -0.260 1
1 1314 . 17 1 1 A 102 102 VAL CA C 102 62.030 64.195 -2.165 1
1 1315 . 17 1 1 A 102 102 VAL CB C 102 33.307 32.117 1.190 1
1 1318 . 17 1 1 A 102 102 VAL N N 102 121.420 125.130 -3.710 1
1 1319 . 17 1 1 A 103 103 GLU H H 103 7.912 7.995 -0.083 1
1 1320 . 17 1 1 A 103 103 GLU HA H 103 4.661 4.547 0.114 1
1 1325 . 17 1 1 A 103 103 GLU C C 103 176.520 176.224 0.296 1
1 1326 . 17 1 1 A 103 103 GLU CA C 103 56.550 55.302 1.248 1
1 1327 . 17 1 1 A 103 103 GLU CB C 103 34.180 33.444 0.736 1
1 1329 . 17 1 1 A 103 103 GLU N N 103 120.750 120.005 0.745 1
1 1330 . 17 1 1 A 104 104 GLY H H 104 8.934 8.853 0.081 1
1 1331 . 17 1 1 A 104 104 GLY HA2 H 104 3.932 3.929 0.003 1
1 1332 . 17 1 1 A 104 104 GLY HA3 H 104 4.345 3.951 0.394 1
1 1333 . 17 1 1 A 104 104 GLY C C 104 175.230 174.723 0.507 1
1 1334 . 17 1 1 A 104 104 GLY CA C 104 46.616 46.931 -0.315 1
1 1335 . 17 1 1 A 104 104 GLY N N 104 111.140 111.531 -0.391 1
1 1336 . 17 1 1 A 105 105 LEU H H 105 8.158 7.929 0.229 1
1 1337 . 17 1 1 A 105 105 LEU HA H 105 3.702 4.208 -0.506 1
1 1347 . 17 1 1 A 105 105 LEU C C 105 179.250 178.704 0.546 1
1 1348 . 17 1 1 A 105 105 LEU CA C 105 59.400 57.352 2.048 1
1 1349 . 17 1 1 A 105 105 LEU CB C 105 42.743 42.498 0.245 1
1 1353 . 17 1 1 A 105 105 LEU N N 105 121.390 121.655 -0.265 1
1 1354 . 17 1 1 A 106 106 GLU H H 106 8.944 8.286 0.658 1
1 1355 . 17 1 1 A 106 106 GLU HA H 106 3.978 4.158 -0.180 1
1 1360 . 17 1 1 A 106 106 GLU C C 106 178.120 179.025 -0.905 1
1 1361 . 17 1 1 A 106 106 GLU CA C 106 58.720 59.295 -0.575 1
1 1362 . 17 1 1 A 106 106 GLU CB C 106 28.920 28.815 0.105 1
1 1364 . 17 1 1 A 106 106 GLU N N 106 113.860 118.002 -4.142 1
1 1365 . 17 1 1 A 107 107 ASP H H 107 7.538 8.461 -0.923 1
1 1366 . 17 1 1 A 107 107 ASP HA H 107 4.344 4.302 0.042 1
1 1369 . 17 1 1 A 107 107 ASP C C 107 178.190 177.200 0.990 1
1 1370 . 17 1 1 A 107 107 ASP CA C 107 55.780 56.093 -0.313 1
1 1371 . 17 1 1 A 107 107 ASP CB C 107 41.191 39.101 2.090 1
1 1372 . 17 1 1 A 107 107 ASP N N 107 119.620 118.027 1.593 1
1 1373 . 17 1 1 A 108 108 LEU H H 108 7.115 7.736 -0.621 1
1 1374 . 17 1 1 A 108 108 LEU HA H 108 3.357 3.560 -0.203 1
1 1384 . 17 1 1 A 108 108 LEU C C 108 177.920 177.494 0.426 1
1 1385 . 17 1 1 A 108 108 LEU CA C 108 57.000 57.093 -0.093 1
1 1386 . 17 1 1 A 108 108 LEU CB C 108 38.445 40.708 -2.263 1
1 1390 . 17 1 1 A 108 108 LEU N N 108 117.551 119.911 -2.360 1
1 1391 . 17 1 1 A 109 109 LYS H H 109 7.179 7.622 -0.443 1
1 1392 . 17 1 1 A 109 109 LYS HA H 109 3.879 4.344 -0.465 1
1 1401 . 17 1 1 A 109 109 LYS C C 109 176.650 176.880 -0.230 1
1 1402 . 17 1 1 A 109 109 LYS CA C 109 57.792 56.803 0.989 1
1 1403 . 17 1 1 A 109 109 LYS CB C 109 32.184 32.161 0.023 1
1 1407 . 17 1 1 A 109 109 LYS N N 109 115.080 117.102 -2.022 1
1 1408 . 17 1 1 A 110 110 LYS H H 110 7.364 7.778 -0.414 1
1 1409 . 17 1 1 A 110 110 LYS HA H 110 4.016 4.511 -0.495 1
1 1418 . 17 1 1 A 110 110 LYS C C 110 175.890 176.353 -0.463 1
1 1419 . 17 1 1 A 110 110 LYS CA C 110 56.550 56.395 0.155 1
1 1420 . 17 1 1 A 110 110 LYS CB C 110 32.972 34.607 -1.635 1
1 1424 . 17 1 1 A 110 110 LYS N N 110 116.720 115.742 0.978 1
1 1425 . 17 1 1 A 111 111 ILE H H 111 6.626 6.903 -0.277 1
1 1426 . 17 1 1 A 111 111 ILE HA H 111 3.531 4.137 -0.606 1
1 1436 . 17 1 1 A 111 111 ILE C C 111 176.180 175.737 0.443 1
1 1437 . 17 1 1 A 111 111 ILE CA C 111 59.950 61.667 -1.717 1
1 1438 . 17 1 1 A 111 111 ILE CB C 111 34.946 37.746 -2.800 1
1 1442 . 17 1 1 A 111 111 ILE N N 111 117.000 121.928 -4.928 1
1 1443 . 17 1 1 A 112 112 LYS H H 112 8.388 8.492 -0.104 1
1 1444 . 17 1 1 A 112 112 LYS HA H 112 4.356 4.710 -0.354 1
1 1453 . 17 1 1 A 112 112 LYS C C 112 175.750 177.036 -1.286 1
1 1454 . 17 1 1 A 112 112 LYS CA C 112 54.430 54.285 0.145 1
1 1455 . 17 1 1 A 112 112 LYS CB C 112 33.936 34.864 -0.928 1
1 1459 . 17 1 1 A 112 112 LYS N N 112 128.240 123.632 4.608 1
1 1460 . 17 1 1 A 113 113 ASP H H 113 8.103 8.720 -0.617 1
1 1461 . 17 1 1 A 113 113 ASP HA H 113 4.026 4.695 -0.669 1
1 1464 . 17 1 1 A 113 113 ASP C C 113 177.630 176.005 1.625 1
1 1465 . 17 1 1 A 113 113 ASP CA C 113 56.660 53.342 3.318 1
1 1466 . 17 1 1 A 113 113 ASP CB C 113 42.033 39.901 2.132 1
1 1467 . 17 1 1 A 113 113 ASP N N 113 119.040 121.740 -2.700 1
1 1468 . 17 1 1 A 114 114 GLY H H 114 8.635 7.562 1.073 1
1 1469 . 17 1 1 A 114 114 GLY HA2 H 114 3.547 4.113 -0.566 1
1 1470 . 17 1 1 A 114 114 GLY HA3 H 114 4.229 4.115 0.114 1
1 1471 . 17 1 1 A 114 114 GLY C C 114 174.640 174.115 0.525 1
1 1472 . 17 1 1 A 114 114 GLY CA C 114 45.403 45.662 -0.259 1
1 1473 . 17 1 1 A 114 114 GLY N N 114 113.170 106.656 6.514 1
1 1474 . 17 1 1 A 115 115 GLU H H 115 7.346 8.557 -1.211 1
1 1475 . 17 1 1 A 115 115 GLU HA H 115 4.113 4.612 -0.499 1
1 1480 . 17 1 1 A 115 115 GLU C C 115 175.840 176.275 -0.435 1
1 1481 . 17 1 1 A 115 115 GLU CA C 115 58.180 55.231 2.949 1
1 1482 . 17 1 1 A 115 115 GLU CB C 115 30.902 30.725 0.177 1
1 1484 . 17 1 1 A 115 115 GLU N N 115 119.440 120.594 -1.154 1
1 1485 . 17 1 1 A 116 116 LYS H H 116 9.107 7.924 1.183 1
1 1486 . 17 1 1 A 116 116 LYS HA H 116 4.529 4.279 0.250 1
1 1495 . 17 1 1 A 116 116 LYS C C 116 176.050 174.664 1.386 1
1 1496 . 17 1 1 A 116 116 LYS CA C 116 56.820 58.220 -1.400 1
1 1497 . 17 1 1 A 116 116 LYS CB C 116 33.358 31.539 1.819 1
1 1501 . 17 1 1 A 116 116 LYS N N 116 121.800 116.600 5.200 1
1 1502 . 17 1 1 A 117 117 VAL H H 117 7.860 8.023 -0.163 1
1 1503 . 17 1 1 A 117 117 VAL HA H 117 4.668 4.367 0.301 1
1 1511 . 17 1 1 A 117 117 VAL C C 117 171.630 173.415 -1.785 1
1 1512 . 17 1 1 A 117 117 VAL CA C 117 57.440 59.574 -2.134 1
1 1513 . 17 1 1 A 117 117 VAL CB C 117 34.614 35.051 -0.437 1
1 1516 . 17 1 1 A 117 117 VAL N N 117 118.940 120.332 -1.392 1
1 1517 . 17 1 1 A 118 118 ALA H H 118 8.310 8.742 -0.432 1
1 1518 . 17 1 1 A 118 118 ALA HA H 118 4.506 4.765 -0.259 1
1 1522 . 17 1 1 A 118 118 ALA C C 118 174.660 175.071 -0.411 1
1 1523 . 17 1 1 A 118 118 ALA CA C 118 50.370 50.102 0.268 1
1 1524 . 17 1 1 A 118 118 ALA CB C 118 20.250 20.087 0.163 1
1 1525 . 17 1 1 A 118 118 ALA N N 118 130.190 130.096 0.094 1
1 1526 . 17 1 1 A 119 119 VAL H H 119 8.295 8.876 -0.581 1
1 1527 . 17 1 1 A 119 119 VAL HA H 119 4.096 4.564 -0.468 1
1 1535 . 17 1 1 A 119 119 VAL C C 119 175.320 175.751 -0.431 1
1 1536 . 17 1 1 A 119 119 VAL CA C 119 61.570 61.328 0.242 1
1 1537 . 17 1 1 A 119 119 VAL CB C 119 31.445 31.724 -0.279 1
1 1540 . 17 1 1 A 119 119 VAL N N 119 123.160 123.459 -0.299 1
1 1541 . 17 1 1 A 120 120 ARG H H 120 8.596 8.982 -0.386 1
1 1542 . 17 1 1 A 120 120 ARG HA H 120 4.534 4.611 -0.077 1
1 1550 . 17 1 1 A 120 120 ARG C C 120 175.260 176.305 -1.045 1
1 1551 . 17 1 1 A 120 120 ARG CA C 120 53.740 53.572 0.168 1
1 1552 . 17 1 1 A 120 120 ARG CB C 120 34.359 33.589 0.770 1
1 1555 . 17 1 1 A 120 120 ARG N N 120 123.692 127.178 -3.486 1
1 1557 . 17 1 1 A 121 121 PHE H H 121 8.585 8.991 -0.406 1
1 1558 . 17 1 1 A 121 121 PHE HA H 121 4.591 4.409 0.182 1
1 1566 . 17 1 1 A 121 121 PHE C C 121 176.430 174.841 1.589 1
1 1567 . 17 1 1 A 121 121 PHE CA C 121 60.370 58.123 2.247 1
1 1568 . 17 1 1 A 121 121 PHE CB C 121 38.713 39.169 -0.456 1
1 1572 . 17 1 1 A 121 121 PHE N N 121 120.110 120.962 -0.852 1
1 1573 . 17 1 1 A 122 122 ALA H H 122 7.896 7.984 -0.088 1
1 1574 . 17 1 1 A 122 122 ALA HA H 122 4.304 4.013 0.291 1
1 1578 . 17 1 1 A 122 122 ALA C C 122 177.430 177.506 -0.076 1
1 1579 . 17 1 1 A 122 122 ALA CA C 122 52.050 52.970 -0.920 1
1 1580 . 17 1 1 A 122 122 ALA CB C 122 19.865 17.179 2.686 1
1 1581 . 17 1 1 A 122 122 ALA N N 122 123.820 121.141 2.679 1
1 1582 . 17 1 1 A 123 123 SER H H 123 8.675 8.268 0.407 1
1 1583 . 17 1 1 A 123 123 SER HA H 123 4.372 4.634 -0.262 1
1 1586 . 17 1 1 A 123 123 SER C C 123 173.630 173.332 0.298 1
1 1587 . 17 1 1 A 123 123 SER CA C 123 58.750 58.265 0.485 1
1 1588 . 17 1 1 A 123 123 SER CB C 123 63.870 63.297 0.573 1
1 1589 . 17 1 1 A 123 123 SER N N 123 117.330 112.229 5.101 1
1 14 . 18 1 1 A 2 2 ARG H H 2 9.247 8.909 0.338 1
1 15 . 18 1 1 A 2 2 ARG HA H 2 5.249 5.144 0.105 1
1 23 . 18 1 1 A 2 2 ARG C C 2 176.020 175.646 0.374 1
1 24 . 18 1 1 A 2 2 ARG CA C 2 56.360 55.039 1.321 1
1 25 . 18 1 1 A 2 2 ARG CB C 2 31.953 32.811 -0.858 1
1 28 . 18 1 1 A 2 2 ARG N N 2 129.420 127.036 2.384 1
1 30 . 18 1 1 A 3 3 VAL H H 3 9.361 8.607 0.754 1
1 31 . 18 1 1 A 3 3 VAL HA H 3 4.464 5.044 -0.580 1
1 39 . 18 1 1 A 3 3 VAL C C 3 173.160 173.900 -0.740 1
1 40 . 18 1 1 A 3 3 VAL CA C 3 61.330 60.898 0.432 1
1 41 . 18 1 1 A 3 3 VAL CB C 3 36.251 35.635 0.616 1
1 44 . 18 1 1 A 3 3 VAL N N 3 126.750 120.471 6.279 1
1 45 . 18 1 1 A 4 4 GLU H H 4 9.294 9.501 -0.207 1
1 46 . 18 1 1 A 4 4 GLU HA H 4 4.807 5.072 -0.265 1
1 51 . 18 1 1 A 4 4 GLU C C 4 173.020 175.294 -2.274 1
1 52 . 18 1 1 A 4 4 GLU CA C 4 54.890 54.729 0.161 1
1 53 . 18 1 1 A 4 4 GLU CB C 4 33.146 33.003 0.143 1
1 55 . 18 1 1 A 4 4 GLU N N 4 128.550 128.367 0.183 1
1 56 . 18 1 1 A 5 5 LEU H H 5 8.685 9.563 -0.878 1
1 57 . 18 1 1 A 5 5 LEU HA H 5 4.547 4.411 0.136 1
1 67 . 18 1 1 A 5 5 LEU C C 5 173.750 175.323 -1.573 1
1 68 . 18 1 1 A 5 5 LEU CA C 5 52.450 53.595 -1.145 1
1 69 . 18 1 1 A 5 5 LEU CB C 5 41.998 41.556 0.442 1
1 73 . 18 1 1 A 5 5 LEU N N 5 124.490 127.695 -3.205 1
1 74 . 18 1 1 A 6 6 LEU H H 6 8.608 8.443 0.165 1
1 75 . 18 1 1 A 6 6 LEU HA H 6 4.502 4.631 -0.129 1
1 85 . 18 1 1 A 6 6 LEU C C 6 176.550 175.550 1.000 1
1 86 . 18 1 1 A 6 6 LEU CA C 6 53.790 54.023 -0.233 1
1 87 . 18 1 1 A 6 6 LEU CB C 6 42.240 42.553 -0.313 1
1 91 . 18 1 1 A 6 6 LEU N N 6 123.330 125.970 -2.640 1
1 92 . 18 1 1 A 7 7 PHE H H 7 8.344 9.004 -0.660 1
1 93 . 18 1 1 A 7 7 PHE HA H 7 5.378 4.789 0.589 1
1 101 . 18 1 1 A 7 7 PHE C C 7 175.050 176.084 -1.034 1
1 102 . 18 1 1 A 7 7 PHE CA C 7 55.830 56.797 -0.967 1
1 103 . 18 1 1 A 7 7 PHE CB C 7 39.383 43.491 -4.108 1
1 108 . 18 1 1 A 7 7 PHE N N 7 125.190 121.879 3.311 1
1 109 . 18 1 1 A 8 8 GLU H H 8 8.226 9.004 -0.778 1
1 110 . 18 1 1 A 8 8 GLU HA H 8 4.266 4.177 0.089 1
1 115 . 18 1 1 A 8 8 GLU C C 8 180.740 177.093 3.647 1
1 116 . 18 1 1 A 8 8 GLU CA C 8 59.530 59.440 0.090 1
1 117 . 18 1 1 A 8 8 GLU CB C 8 29.723 29.483 0.240 1
1 119 . 18 1 1 A 8 8 GLU N N 8 120.100 122.816 -2.716 1
1 120 . 18 1 1 A 9 9 SER H H 9 9.069 8.147 0.922 1
1 121 . 18 1 1 A 9 9 SER HA H 9 4.467 4.625 -0.158 1
1 124 . 18 1 1 A 9 9 SER C C 9 173.740 173.714 0.026 1
1 125 . 18 1 1 A 9 9 SER CA C 9 58.600 58.632 -0.032 1
1 126 . 18 1 1 A 9 9 SER CB C 9 63.120 64.586 -1.466 1
1 127 . 18 1 1 A 9 9 SER N N 9 112.770 112.730 0.040 1
1 128 . 18 1 1 A 10 10 GLY H H 10 6.925 7.569 -0.644 1
1 129 . 18 1 1 A 10 10 GLY HA2 H 10 3.896 4.060 -0.164 1
1 130 . 18 1 1 A 10 10 GLY HA3 H 10 3.896 4.108 -0.212 1
1 131 . 18 1 1 A 10 10 GLY C C 10 170.040 171.251 -1.211 1
1 132 . 18 1 1 A 10 10 GLY CA C 10 45.466 45.992 -0.526 1
1 133 . 18 1 1 A 10 10 GLY N N 10 105.760 107.211 -1.451 1
1 134 . 18 1 1 A 11 11 LYS H H 11 9.071 8.908 0.163 1
1 135 . 18 1 1 A 11 11 LYS HA H 11 5.484 5.687 -0.203 1
1 144 . 18 1 1 A 11 11 LYS C C 11 174.230 174.300 -0.070 1
1 145 . 18 1 1 A 11 11 LYS CA C 11 55.460 55.009 0.451 1
1 146 . 18 1 1 A 11 11 LYS CB C 11 36.408 36.504 -0.096 1
1 150 . 18 1 1 A 11 11 LYS N N 11 118.960 116.634 2.326 1
1 151 . 18 1 1 A 12 12 CYS H H 12 8.917 8.723 0.194 1
1 152 . 18 1 1 A 12 12 CYS HA H 12 5.083 5.218 -0.135 1
1 155 . 18 1 1 A 12 12 CYS C C 12 171.760 172.709 -0.949 1
1 156 . 18 1 1 A 12 12 CYS CA C 12 56.770 57.942 -1.172 1
1 157 . 18 1 1 A 12 12 CYS CB C 12 31.267 32.719 -1.452 1
1 158 . 18 1 1 A 12 12 CYS N N 12 115.700 118.703 -3.003 1
1 159 . 18 1 1 A 13 13 VAL H H 13 8.474 8.954 -0.480 1
1 160 . 18 1 1 A 13 13 VAL HA H 13 4.992 4.940 0.052 1
1 168 . 18 1 1 A 13 13 VAL C C 13 175.660 174.527 1.133 1
1 169 . 18 1 1 A 13 13 VAL CA C 13 61.490 59.545 1.945 1
1 170 . 18 1 1 A 13 13 VAL CB C 13 35.125 35.767 -0.642 1
1 173 . 18 1 1 A 13 13 VAL N N 13 120.490 120.640 -0.150 1
1 174 . 18 1 1 A 14 14 ILE H H 14 9.378 9.125 0.253 1
1 175 . 18 1 1 A 14 14 ILE HA H 14 5.335 5.420 -0.085 1
1 185 . 18 1 1 A 14 14 ILE C C 14 172.570 173.240 -0.670 1
1 186 . 18 1 1 A 14 14 ILE CA C 14 58.540 59.083 -0.543 1
1 187 . 18 1 1 A 14 14 ILE CB C 14 40.755 42.375 -1.620 1
1 191 . 18 1 1 A 14 14 ILE N N 14 120.140 121.442 -1.302 1
1 192 . 18 1 1 A 15 15 ASP H H 15 9.295 9.306 -0.011 1
1 193 . 18 1 1 A 15 15 ASP HA H 15 5.274 5.514 -0.240 1
1 196 . 18 1 1 A 15 15 ASP C C 15 176.510 174.571 1.939 1
1 197 . 18 1 1 A 15 15 ASP CA C 15 53.050 52.790 0.260 1
1 198 . 18 1 1 A 15 15 ASP CB C 15 44.007 44.738 -0.731 1
1 199 . 18 1 1 A 15 15 ASP N N 15 123.200 122.599 0.601 1
1 200 . 18 1 1 A 16 16 LEU H H 16 8.892 9.127 -0.235 1
1 201 . 18 1 1 A 16 16 LEU HA H 16 4.981 5.269 -0.288 1
1 211 . 18 1 1 A 16 16 LEU C C 16 175.430 175.138 0.292 1
1 212 . 18 1 1 A 16 16 LEU CA C 16 53.040 53.562 -0.522 1
1 213 . 18 1 1 A 16 16 LEU CB C 16 45.782 45.342 0.440 1
1 217 . 18 1 1 A 16 16 LEU N N 16 123.620 126.225 -2.605 1
1 218 . 18 1 1 A 17 17 ASN H H 17 8.694 8.520 0.174 1
1 219 . 18 1 1 A 17 17 ASN HA H 17 4.632 5.097 -0.465 1
1 224 . 18 1 1 A 17 17 ASN C C 17 175.500 176.170 -0.670 1
1 225 . 18 1 1 A 17 17 ASN CA C 17 53.310 51.668 1.642 1
1 226 . 18 1 1 A 17 17 ASN CB C 17 38.508 39.589 -1.081 1
1 227 . 18 1 1 A 17 17 ASN N N 17 121.330 120.120 1.210 1
1 229 . 18 1 1 A 18 18 GLU H H 18 8.793 9.170 -0.377 1
1 230 . 18 1 1 A 18 18 GLU HA H 18 3.736 4.268 -0.532 1
1 235 . 18 1 1 A 18 18 GLU C C 18 175.250 177.294 -2.044 1
1 236 . 18 1 1 A 18 18 GLU CA C 18 58.330 57.855 0.475 1
1 237 . 18 1 1 A 18 18 GLU CB C 18 29.947 29.307 0.640 1
1 239 . 18 1 1 A 18 18 GLU N N 18 124.750 126.116 -1.366 1
1 240 . 18 1 1 A 19 19 GLU H H 19 8.187 8.041 0.146 1
1 241 . 18 1 1 A 19 19 GLU HA H 19 3.885 4.314 -0.429 1
1 246 . 18 1 1 A 19 19 GLU C C 19 177.350 174.547 2.803 1
1 247 . 18 1 1 A 19 19 GLU CA C 19 57.730 56.255 1.475 1
1 248 . 18 1 1 A 19 19 GLU CB C 19 29.744 30.114 -0.370 1
1 250 . 18 1 1 A 19 19 GLU N N 19 117.280 117.452 -0.172 1
1 251 . 18 1 1 A 20 20 TYR H H 20 7.135 7.670 -0.535 1
1 252 . 18 1 1 A 20 20 TYR HA H 20 4.668 4.913 -0.245 1
1 259 . 18 1 1 A 20 20 TYR CA C 20 56.050 56.473 -0.423 1
1 260 . 18 1 1 A 20 20 TYR CB C 20 38.464 40.989 -2.525 1
1 263 . 18 1 1 A 20 20 TYR N N 20 117.730 119.812 -2.082 1
1 264 . 18 1 1 A 21 21 GLU H H 21 10.044 8.910 1.134 1
1 265 . 18 1 1 A 21 21 GLU HA H 21 3.807 3.914 -0.107 1
1 270 . 18 1 1 A 21 21 GLU C C 21 179.150 177.980 1.170 1
1 271 . 18 1 1 A 21 21 GLU CA C 21 60.640 60.015 0.625 1
1 272 . 18 1 1 A 21 21 GLU CB C 21 29.167 29.465 -0.298 1
1 274 . 18 1 1 A 21 21 GLU N N 21 129.480 124.564 4.916 1
1 275 . 18 1 1 A 22 22 VAL H H 22 9.539 8.124 1.415 1
1 276 . 18 1 1 A 22 22 VAL HA H 22 3.574 3.876 -0.302 1
1 284 . 18 1 1 A 22 22 VAL C C 22 175.490 177.057 -1.567 1
1 285 . 18 1 1 A 22 22 VAL CA C 22 64.470 64.728 -0.258 1
1 286 . 18 1 1 A 22 22 VAL CB C 22 30.858 31.331 -0.473 1
1 289 . 18 1 1 A 22 22 VAL N N 22 115.360 119.035 -3.675 1
1 290 . 18 1 1 A 23 23 VAL H H 23 6.843 7.916 -1.073 1
1 291 . 18 1 1 A 23 23 VAL HA H 23 3.387 3.745 -0.358 1
1 299 . 18 1 1 A 23 23 VAL C C 23 176.900 178.131 -1.231 1
1 300 . 18 1 1 A 23 23 VAL CA C 23 67.030 66.406 0.624 1
1 301 . 18 1 1 A 23 23 VAL CB C 23 31.499 31.782 -0.283 1
1 304 . 18 1 1 A 23 23 VAL N N 23 121.150 119.944 1.206 1
1 305 . 18 1 1 A 24 24 LYS H H 24 7.533 7.718 -0.185 1
1 306 . 18 1 1 A 24 24 LYS HA H 24 3.851 4.032 -0.181 1
1 315 . 18 1 1 A 24 24 LYS C C 24 179.820 178.121 1.699 1
1 316 . 18 1 1 A 24 24 LYS CA C 24 60.480 58.913 1.567 1
1 317 . 18 1 1 A 24 24 LYS CB C 24 32.626 31.984 0.642 1
1 321 . 18 1 1 A 24 24 LYS N N 24 120.120 119.290 0.830 1
1 322 . 18 1 1 A 25 25 LEU H H 25 7.870 7.722 0.148 1
1 323 . 18 1 1 A 25 25 LEU HA H 25 4.097 4.293 -0.196 1
1 333 . 18 1 1 A 25 25 LEU C C 25 180.620 179.163 1.457 1
1 334 . 18 1 1 A 25 25 LEU CA C 25 57.440 56.804 0.636 1
1 335 . 18 1 1 A 25 25 LEU CB C 25 41.717 42.077 -0.360 1
1 339 . 18 1 1 A 25 25 LEU N N 25 117.260 118.879 -1.619 1
1 340 . 18 1 1 A 26 26 LEU H H 26 8.489 8.094 0.395 1
1 341 . 18 1 1 A 26 26 LEU HA H 26 3.703 3.912 -0.209 1
1 351 . 18 1 1 A 26 26 LEU C C 26 178.820 179.125 -0.305 1
1 352 . 18 1 1 A 26 26 LEU CA C 26 58.310 57.694 0.616 1
1 353 . 18 1 1 A 26 26 LEU CB C 26 42.487 41.275 1.212 1
1 357 . 18 1 1 A 26 26 LEU N N 26 121.760 119.489 2.271 1
1 358 . 18 1 1 A 27 27 LYS H H 27 8.190 8.441 -0.251 1
1 359 . 18 1 1 A 27 27 LYS HA H 27 3.799 4.193 -0.394 1
1 368 . 18 1 1 A 27 27 LYS C C 27 177.470 179.197 -1.727 1
1 369 . 18 1 1 A 27 27 LYS CA C 27 60.480 59.779 0.701 1
1 370 . 18 1 1 A 27 27 LYS CB C 27 33.472 32.384 1.088 1
1 374 . 18 1 1 A 27 27 LYS N N 27 117.650 121.275 -3.625 1
1 375 . 18 1 1 A 28 28 GLU H H 28 6.841 7.912 -1.071 1
1 376 . 18 1 1 A 28 28 GLU HA H 28 4.238 4.251 -0.013 1
1 381 . 18 1 1 A 28 28 GLU C C 28 177.280 177.561 -0.281 1
1 382 . 18 1 1 A 28 28 GLU CA C 28 57.370 58.763 -1.393 1
1 383 . 18 1 1 A 28 28 GLU CB C 28 30.480 29.447 1.033 1
1 385 . 18 1 1 A 28 28 GLU N N 28 111.940 118.501 -6.561 1
1 386 . 18 1 1 A 29 29 LYS H H 29 7.577 7.818 -0.241 1
1 387 . 18 1 1 A 29 29 LYS HA H 29 4.414 4.511 -0.097 1
1 396 . 18 1 1 A 29 29 LYS C C 29 175.230 175.676 -0.446 1
1 397 . 18 1 1 A 29 29 LYS CA C 29 53.800 55.643 -1.843 1
1 398 . 18 1 1 A 29 29 LYS CB C 29 33.530 33.835 -0.305 1
1 402 . 18 1 1 A 29 29 LYS N N 29 115.460 117.408 -1.948 1
1 403 . 18 1 1 A 30 30 ILE H H 30 6.921 7.537 -0.616 1
1 404 . 18 1 1 A 30 30 ILE HA H 30 3.939 4.354 -0.415 1
1 414 . 18 1 1 A 30 30 ILE CA C 30 60.290 57.712 2.578 1
1 415 . 18 1 1 A 30 30 ILE CB C 30 39.967 38.130 1.837 1
1 419 . 18 1 1 A 30 30 ILE N N 30 122.100 120.434 1.666 1
1 420 . 18 1 1 A 31 31 PRO HA H 31 4.840 4.820 0.020 1
1 427 . 18 1 1 A 31 31 PRO C C 31 175.340 176.342 -1.002 1
1 428 . 18 1 1 A 31 31 PRO CA C 31 62.720 62.384 0.336 1
1 429 . 18 1 1 A 31 31 PRO CB C 31 36.350 33.254 3.096 1
1 432 . 18 1 1 A 32 32 PHE H H 32 7.627 8.596 -0.969 1
1 433 . 18 1 1 A 32 32 PHE HA H 32 4.959 5.046 -0.087 1
1 441 . 18 1 1 A 32 32 PHE C C 32 171.870 172.278 -0.408 1
1 442 . 18 1 1 A 32 32 PHE CA C 32 56.300 56.225 0.075 1
1 443 . 18 1 1 A 32 32 PHE CB C 32 40.253 41.587 -1.334 1
1 447 . 18 1 1 A 32 32 PHE N N 32 112.880 117.254 -4.374 1
1 448 . 18 1 1 A 33 33 GLU H H 33 8.728 8.754 -0.026 1
1 449 . 18 1 1 A 33 33 GLU HA H 33 5.309 5.405 -0.096 1
1 454 . 18 1 1 A 33 33 GLU C C 33 175.630 175.215 0.415 1
1 455 . 18 1 1 A 33 33 GLU CA C 33 54.450 54.795 -0.345 1
1 456 . 18 1 1 A 33 33 GLU CB C 33 33.814 32.796 1.018 1
1 458 . 18 1 1 A 33 33 GLU N N 33 118.710 119.752 -1.042 1
1 459 . 18 1 1 A 34 34 SER H H 34 8.964 8.329 0.635 1
1 460 . 18 1 1 A 34 34 SER HA H 34 4.803 4.917 -0.114 1
1 463 . 18 1 1 A 34 34 SER C C 34 174.560 172.930 1.630 1
1 464 . 18 1 1 A 34 34 SER CA C 34 55.830 56.485 -0.655 1
1 465 . 18 1 1 A 34 34 SER CB C 34 64.270 65.625 -1.355 1
1 466 . 18 1 1 A 34 34 SER N N 34 115.150 115.868 -0.718 1
1 467 . 18 1 1 A 35 35 VAL H H 35 8.322 8.678 -0.356 1
1 468 . 18 1 1 A 35 35 VAL HA H 35 4.724 4.389 0.335 1
1 476 . 18 1 1 A 35 35 VAL C C 35 174.950 175.572 -0.622 1
1 477 . 18 1 1 A 35 35 VAL CA C 35 61.350 61.880 -0.530 1
1 478 . 18 1 1 A 35 35 VAL CB C 35 35.676 32.535 3.141 1
1 481 . 18 1 1 A 35 35 VAL N N 35 121.700 122.813 -1.113 1
1 482 . 18 1 1 A 36 36 VAL H H 36 9.200 8.994 0.206 1
1 483 . 18 1 1 A 36 36 VAL HA H 36 3.999 4.463 -0.464 1
1 491 . 18 1 1 A 36 36 VAL C C 36 175.490 175.304 0.186 1
1 492 . 18 1 1 A 36 36 VAL CA C 36 63.900 62.206 1.694 1
1 493 . 18 1 1 A 36 36 VAL CB C 36 33.593 30.461 3.132 1
1 496 . 18 1 1 A 36 36 VAL N N 36 123.870 128.436 -4.566 1
1 497 . 18 1 1 A 37 37 ASN H H 37 8.739 8.077 0.662 1
1 498 . 18 1 1 A 37 37 ASN HA H 37 5.276 4.668 0.608 1
1 503 . 18 1 1 A 37 37 ASN C C 37 174.040 175.363 -1.323 1
1 504 . 18 1 1 A 37 37 ASN CA C 37 51.960 53.596 -1.636 1
1 505 . 18 1 1 A 37 37 ASN CB C 37 41.996 38.138 3.858 1
1 506 . 18 1 1 A 37 37 ASN N N 37 123.895 124.028 -0.133 1
1 508 . 18 1 1 A 38 38 THR H H 38 8.703 8.954 -0.251 1
1 509 . 18 1 1 A 38 38 THR HA H 38 5.323 5.560 -0.237 1
1 514 . 18 1 1 A 38 38 THR C C 38 174.910 173.631 1.279 1
1 515 . 18 1 1 A 38 38 THR CA C 38 59.740 59.671 0.069 1
1 516 . 18 1 1 A 38 38 THR CB C 38 71.332 71.565 -0.233 1
1 518 . 18 1 1 A 38 38 THR N N 38 111.440 111.851 -0.411 1
1 519 . 18 1 1 A 39 39 TRP H H 39 8.489 8.920 -0.431 1
1 520 . 18 1 1 A 39 39 TRP HA H 39 4.838 5.056 -0.218 1
1 529 . 18 1 1 A 39 39 TRP C C 39 175.270 175.901 -0.631 1
1 530 . 18 1 1 A 39 39 TRP CA C 39 57.040 56.767 0.273 1
1 531 . 18 1 1 A 39 39 TRP CB C 39 29.089 31.801 -2.712 1
1 537 . 18 1 1 A 39 39 TRP N N 39 125.321 126.097 -0.776 1
1 539 . 18 1 1 A 40 40 GLY H H 40 8.596 9.479 -0.883 1
1 540 . 18 1 1 A 40 40 GLY HA2 H 40 3.528 3.388 0.140 1
1 541 . 18 1 1 A 40 40 GLY HA3 H 40 3.465 3.642 -0.177 1
1 542 . 18 1 1 A 40 40 GLY CA C 40 47.619 46.792 0.827 1
1 543 . 18 1 1 A 40 40 GLY N N 40 113.220 115.482 -2.262 1
1 544 . 18 1 1 A 41 41 GLU H H 41 7.870 8.444 -0.574 1
1 545 . 18 1 1 A 41 41 GLU HA H 41 3.717 3.590 0.127 1
1 550 . 18 1 1 A 41 41 GLU C C 41 171.810 174.074 -2.264 1
1 551 . 18 1 1 A 41 41 GLU CA C 41 55.390 57.500 -2.110 1
1 552 . 18 1 1 A 41 41 GLU CB C 41 26.025 27.220 -1.195 1
1 554 . 18 1 1 A 41 41 GLU N N 41 128.227 110.456 17.771 1
1 555 . 18 1 1 A 42 42 GLU H H 42 7.158 7.453 -0.295 1
1 556 . 18 1 1 A 42 42 GLU HA H 42 4.811 5.063 -0.252 1
1 561 . 18 1 1 A 42 42 GLU C C 42 175.680 174.864 0.816 1
1 562 . 18 1 1 A 42 42 GLU CA C 42 53.860 54.795 -0.935 1
1 563 . 18 1 1 A 42 42 GLU CB C 42 31.149 33.123 -1.974 1
1 565 . 18 1 1 A 42 42 GLU N N 42 116.880 117.963 -1.083 1
1 566 . 18 1 1 A 43 43 ILE H H 43 8.226 8.350 -0.124 1
1 567 . 18 1 1 A 43 43 ILE HA H 43 4.934 5.311 -0.377 1
1 577 . 18 1 1 A 43 43 ILE C C 43 174.420 174.512 -0.092 1
1 578 . 18 1 1 A 43 43 ILE CA C 43 59.250 60.043 -0.793 1
1 579 . 18 1 1 A 43 43 ILE CB C 43 43.278 40.817 2.461 1
1 583 . 18 1 1 A 43 43 ILE N N 43 125.120 125.435 -0.315 1
1 584 . 18 1 1 A 44 44 TYR H H 44 9.318 8.916 0.402 1
1 585 . 18 1 1 A 44 44 TYR HA H 44 6.008 5.325 0.683 1
1 592 . 18 1 1 A 44 44 TYR C C 44 174.150 173.130 1.020 1
1 593 . 18 1 1 A 44 44 TYR CA C 44 55.740 55.660 0.080 1
1 594 . 18 1 1 A 44 44 TYR CB C 44 42.606 41.882 0.724 1
1 597 . 18 1 1 A 44 44 TYR N N 44 124.370 122.224 2.146 1
1 598 . 18 1 1 A 45 45 PHE H H 45 8.211 8.794 -0.583 1
1 599 . 18 1 1 A 45 45 PHE HA H 45 5.088 5.537 -0.449 1
1 607 . 18 1 1 A 45 45 PHE C C 45 173.730 173.555 0.175 1
1 608 . 18 1 1 A 45 45 PHE CA C 45 55.140 55.672 -0.532 1
1 609 . 18 1 1 A 45 45 PHE CB C 45 40.793 42.196 -1.403 1
1 613 . 18 1 1 A 45 45 PHE N N 45 114.110 117.107 -2.997 1
1 614 . 18 1 1 A 46 46 SER H H 46 9.523 8.687 0.836 1
1 615 . 18 1 1 A 46 46 SER HA H 46 4.316 5.064 -0.748 1
1 618 . 18 1 1 A 46 46 SER C C 46 174.360 174.125 0.235 1
1 619 . 18 1 1 A 46 46 SER CA C 46 59.960 57.802 2.158 1
1 620 . 18 1 1 A 46 46 SER CB C 46 63.980 62.346 1.634 1
1 621 . 18 1 1 A 46 46 SER N N 46 117.150 114.747 2.403 1
1 622 . 18 1 1 A 47 47 THR H H 47 8.225 8.380 -0.155 1
1 623 . 18 1 1 A 47 47 THR HA H 47 4.971 4.667 0.304 1
1 628 . 18 1 1 A 47 47 THR CA C 47 59.160 60.659 -1.499 1
1 629 . 18 1 1 A 47 47 THR CB C 47 70.385 68.907 1.478 1
1 631 . 18 1 1 A 47 47 THR N N 47 113.910 115.994 -2.084 1
1 632 . 18 1 1 A 48 48 PRO HA H 48 4.585 4.383 0.202 1
1 639 . 18 1 1 A 48 48 PRO C C 48 175.940 176.071 -0.131 1
1 640 . 18 1 1 A 48 48 PRO CA C 48 62.410 64.181 -1.771 1
1 641 . 18 1 1 A 48 48 PRO CB C 48 31.770 31.339 0.431 1
1 644 . 18 1 1 A 49 49 VAL H H 49 7.458 7.692 -0.234 1
1 645 . 18 1 1 A 49 49 VAL HA H 49 4.178 4.202 -0.024 1
1 653 . 18 1 1 A 49 49 VAL C C 49 174.070 176.671 -2.601 1
1 654 . 18 1 1 A 49 49 VAL CA C 49 60.840 61.444 -0.604 1
1 655 . 18 1 1 A 49 49 VAL CB C 49 34.134 32.563 1.571 1
1 658 . 18 1 1 A 49 49 VAL N N 49 114.800 119.252 -4.452 1
1 659 . 18 1 1 A 50 50 ASN H H 50 8.897 8.735 0.162 1
1 660 . 18 1 1 A 50 50 ASN HA H 50 4.684 5.144 -0.460 1
1 665 . 18 1 1 A 50 50 ASN C C 50 173.550 175.526 -1.976 1
1 666 . 18 1 1 A 50 50 ASN CA C 50 51.610 51.974 -0.364 1
1 667 . 18 1 1 A 50 50 ASN CB C 50 39.730 38.631 1.099 1
1 668 . 18 1 1 A 50 50 ASN N N 50 126.400 119.682 6.718 1
1 670 . 18 1 1 A 51 51 VAL H H 51 7.587 7.536 0.051 1
1 671 . 18 1 1 A 51 51 VAL HA H 51 4.148 4.072 0.076 1
1 679 . 18 1 1 A 51 51 VAL C C 51 174.350 176.168 -1.818 1
1 680 . 18 1 1 A 51 51 VAL CA C 51 61.280 61.682 -0.402 1
1 681 . 18 1 1 A 51 51 VAL CB C 51 35.206 33.127 2.079 1
1 684 . 18 1 1 A 51 51 VAL N N 51 122.670 116.818 5.852 1
1 685 . 18 1 1 A 52 52 GLN H H 52 8.337 8.554 -0.217 1
1 686 . 18 1 1 A 52 52 GLN HA H 52 4.094 4.909 -0.815 1
1 693 . 18 1 1 A 52 52 GLN C C 52 176.240 175.024 1.216 1
1 694 . 18 1 1 A 52 52 GLN CA C 52 56.560 55.301 1.259 1
1 695 . 18 1 1 A 52 52 GLN CB C 52 29.745 29.504 0.241 1
1 697 . 18 1 1 A 52 52 GLN N N 52 122.670 120.431 2.239 1
1 699 . 18 1 1 A 53 53 LYS H H 53 7.363 7.596 -0.233 1
1 700 . 18 1 1 A 53 53 LYS HA H 53 3.994 4.730 -0.736 1
1 709 . 18 1 1 A 53 53 LYS C C 53 176.010 175.503 0.507 1
1 710 . 18 1 1 A 53 53 LYS CA C 53 56.960 56.354 0.606 1
1 711 . 18 1 1 A 53 53 LYS CB C 53 33.000 33.532 -0.532 1
1 715 . 18 1 1 A 53 53 LYS N N 53 119.940 122.447 -2.507 1
1 716 . 18 1 1 A 54 54 MET H H 54 8.797 8.775 0.022 1
1 717 . 18 1 1 A 54 54 MET HA H 54 4.449 4.929 -0.480 1
1 725 . 18 1 1 A 54 54 MET C C 54 174.630 175.101 -0.471 1
1 726 . 18 1 1 A 54 54 MET CA C 54 54.530 53.606 0.924 1
1 727 . 18 1 1 A 54 54 MET CB C 54 36.912 35.751 1.161 1
1 730 . 18 1 1 A 54 54 MET N N 54 124.720 122.111 2.609 1
1 731 . 18 1 1 A 55 55 GLU H H 55 9.773 9.148 0.625 1
1 732 . 18 1 1 A 55 55 GLU HA H 55 4.029 4.735 -0.706 1
1 737 . 18 1 1 A 55 55 GLU C C 55 176.930 176.451 0.479 1
1 738 . 18 1 1 A 55 55 GLU CA C 55 59.910 56.630 3.280 1
1 739 . 18 1 1 A 55 55 GLU CB C 55 29.611 32.290 -2.679 1
1 741 . 18 1 1 A 55 55 GLU N N 55 124.250 118.240 6.010 1
1 742 . 18 1 1 A 56 56 ASN H H 56 8.371 8.008 0.363 1
1 743 . 18 1 1 A 56 56 ASN HA H 56 5.163 5.172 -0.009 1
1 748 . 18 1 1 A 56 56 ASN CA C 56 50.680 50.474 0.206 1
1 749 . 18 1 1 A 56 56 ASN CB C 56 39.563 39.044 0.519 1
1 750 . 18 1 1 A 56 56 ASN N N 56 115.600 118.858 -3.258 1
1 752 . 18 1 1 A 57 57 PRO HA H 57 4.854 5.031 -0.177 1
1 759 . 18 1 1 A 57 57 PRO C C 57 178.760 176.639 2.121 1
1 760 . 18 1 1 A 57 57 PRO CA C 57 62.630 62.897 -0.267 1
1 761 . 18 1 1 A 57 57 PRO CB C 57 32.197 32.037 0.160 1
1 764 . 18 1 1 A 58 58 ARG H H 58 9.448 8.493 0.955 1
1 765 . 18 1 1 A 58 58 ARG HA H 58 4.636 5.198 -0.562 1
1 773 . 18 1 1 A 58 58 ARG C C 58 175.430 175.267 0.163 1
1 774 . 18 1 1 A 58 58 ARG CA C 58 54.210 53.959 0.251 1
1 775 . 18 1 1 A 58 58 ARG CB C 58 34.208 34.613 -0.405 1
1 778 . 18 1 1 A 58 58 ARG N N 58 122.690 118.066 4.624 1
1 780 . 18 1 1 A 59 59 GLU H H 59 8.694 8.817 -0.123 1
1 781 . 18 1 1 A 59 59 GLU HA H 59 4.096 4.619 -0.523 1
1 786 . 18 1 1 A 59 59 GLU C C 59 175.210 175.609 -0.399 1
1 787 . 18 1 1 A 59 59 GLU CA C 59 56.470 56.278 0.192 1
1 788 . 18 1 1 A 59 59 GLU CB C 59 31.074 31.068 0.006 1
1 790 . 18 1 1 A 59 59 GLU N N 59 119.520 117.780 1.740 1
1 791 . 18 1 1 A 60 60 VAL H H 60 7.296 7.555 -0.259 1
1 792 . 18 1 1 A 60 60 VAL HA H 60 4.471 4.609 -0.138 1
1 800 . 18 1 1 A 60 60 VAL C C 60 174.900 173.713 1.187 1
1 801 . 18 1 1 A 60 60 VAL CA C 60 61.058 61.088 -0.030 1
1 802 . 18 1 1 A 60 60 VAL CB C 60 35.056 33.390 1.666 1
1 805 . 18 1 1 A 60 60 VAL N N 60 117.380 119.261 -1.881 1
1 806 . 18 1 1 A 61 61 VAL H H 61 8.064 8.739 -0.675 1
1 807 . 18 1 1 A 61 61 VAL HA H 61 4.540 4.902 -0.362 1
1 815 . 18 1 1 A 61 61 VAL C C 61 172.880 176.022 -3.142 1
1 816 . 18 1 1 A 61 61 VAL CA C 61 58.820 59.717 -0.897 1
1 817 . 18 1 1 A 61 61 VAL CB C 61 33.464 34.201 -0.737 1
1 820 . 18 1 1 A 61 61 VAL N N 61 117.630 125.405 -7.775 1
1 821 . 18 1 1 A 62 62 GLU H H 62 8.620 9.123 -0.503 1
1 822 . 18 1 1 A 62 62 GLU HA H 62 4.543 4.568 -0.025 1
1 827 . 18 1 1 A 62 62 GLU C C 62 176.350 178.299 -1.949 1
1 828 . 18 1 1 A 62 62 GLU CA C 62 53.640 55.123 -1.483 1
1 829 . 18 1 1 A 62 62 GLU CB C 62 32.360 31.053 1.307 1
1 831 . 18 1 1 A 62 62 GLU N N 62 118.060 120.612 -2.552 1
1 832 . 18 1 1 A 63 63 ILE H H 63 8.520 8.574 -0.054 1
1 833 . 18 1 1 A 63 63 ILE HA H 63 3.275 3.994 -0.719 1
1 843 . 18 1 1 A 63 63 ILE C C 63 177.940 176.592 1.348 1
1 844 . 18 1 1 A 63 63 ILE CA C 63 64.410 63.771 0.639 1
1 845 . 18 1 1 A 63 63 ILE CB C 63 37.674 37.803 -0.129 1
1 849 . 18 1 1 A 63 63 ILE N N 63 120.310 122.176 -1.866 1
1 850 . 18 1 1 A 64 64 GLY H H 64 9.091 7.901 1.190 1
1 851 . 18 1 1 A 64 64 GLY HA2 H 64 3.563 4.183 -0.620 1
1 852 . 18 1 1 A 64 64 GLY HA3 H 64 4.774 4.214 0.560 1
1 853 . 18 1 1 A 64 64 GLY C C 64 173.290 173.859 -0.569 1
1 854 . 18 1 1 A 64 64 GLY CA C 64 45.359 45.715 -0.356 1
1 855 . 18 1 1 A 64 64 GLY N N 64 116.340 109.670 6.670 1
1 856 . 18 1 1 A 65 65 ASP H H 65 8.335 7.793 0.542 1
1 857 . 18 1 1 A 65 65 ASP HA H 65 4.914 5.051 -0.137 1
1 860 . 18 1 1 A 65 65 ASP C C 65 175.180 175.011 0.169 1
1 861 . 18 1 1 A 65 65 ASP CA C 65 56.630 53.623 3.007 1
1 862 . 18 1 1 A 65 65 ASP CB C 65 41.980 42.363 -0.383 1
1 863 . 18 1 1 A 65 65 ASP N N 65 121.610 120.650 0.960 1
1 864 . 18 1 1 A 66 66 VAL H H 66 7.580 8.530 -0.950 1
1 865 . 18 1 1 A 66 66 VAL HA H 66 5.085 4.911 0.174 1
1 873 . 18 1 1 A 66 66 VAL C C 66 176.170 174.445 1.725 1
1 874 . 18 1 1 A 66 66 VAL CA C 66 60.240 60.185 0.055 1
1 875 . 18 1 1 A 66 66 VAL CB C 66 33.783 36.208 -2.425 1
1 878 . 18 1 1 A 66 66 VAL N N 66 117.330 118.242 -0.912 1
1 879 . 18 1 1 A 67 67 GLY H H 67 9.592 7.998 1.594 1
1 880 . 18 1 1 A 67 67 GLY HA2 H 67 5.899 4.565 1.334 1
1 881 . 18 1 1 A 67 67 GLY HA3 H 67 3.200 4.679 -1.479 1
1 882 . 18 1 1 A 67 67 GLY C C 67 171.740 172.438 -0.698 1
1 883 . 18 1 1 A 67 67 GLY CA C 67 43.580 44.893 -1.313 1
1 884 . 18 1 1 A 67 67 GLY N N 67 111.440 111.434 0.006 1
1 885 . 18 1 1 A 68 68 TYR H H 68 9.146 9.157 -0.011 1
1 886 . 18 1 1 A 68 68 TYR HA H 68 5.809 4.912 0.897 1
1 889 . 18 1 1 A 68 68 TYR C C 68 173.860 175.079 -1.219 1
1 890 . 18 1 1 A 68 68 TYR CA C 68 55.900 57.295 -1.395 1
1 891 . 18 1 1 A 68 68 TYR CB C 68 42.170 39.898 2.272 1
1 892 . 18 1 1 A 68 68 TYR N N 68 119.980 117.613 2.367 1
1 893 . 18 1 1 A 69 69 TRP H H 69 9.213 8.453 0.760 1
1 894 . 18 1 1 A 69 69 TRP HA H 69 5.268 4.860 0.408 1
1 902 . 18 1 1 A 69 69 TRP CA C 69 53.390 55.288 -1.898 1
1 903 . 18 1 1 A 69 69 TRP CB C 69 30.442 30.668 -0.226 1
1 908 . 18 1 1 A 69 69 TRP N N 69 132.150 124.750 7.400 1
1 910 . 18 1 1 A 70 70 PRO HA H 70 3.923 4.117 -0.194 1
1 917 . 18 1 1 A 70 70 PRO CA C 70 66.753 65.380 1.373 1
1 918 . 18 1 1 A 70 70 PRO CB C 70 30.054 31.506 -1.452 1
1 921 . 18 1 1 A 71 71 PRO HA H 71 3.716 4.101 -0.385 1
1 928 . 18 1 1 A 71 71 PRO CA C 71 65.803 64.245 1.558 1
1 929 . 18 1 1 A 71 71 PRO CB C 71 30.620 30.988 -0.368 1
1 932 . 18 1 1 A 72 72 GLY HA2 H 72 3.168 3.901 -0.733 1
1 933 . 18 1 1 A 72 72 GLY HA3 H 72 4.271 3.944 0.327 1
1 934 . 18 1 1 A 72 72 GLY C C 72 173.220 173.769 -0.549 1
1 935 . 18 1 1 A 72 72 GLY CA C 72 44.350 45.120 -0.770 1
1 936 . 18 1 1 A 73 73 LYS H H 73 7.989 7.900 0.089 1
1 937 . 18 1 1 A 73 73 LYS HA H 73 3.566 3.891 -0.325 1
1 946 . 18 1 1 A 73 73 LYS C C 73 177.420 175.410 2.010 1
1 947 . 18 1 1 A 73 73 LYS CA C 73 57.790 56.989 0.801 1
1 948 . 18 1 1 A 73 73 LYS CB C 73 29.398 30.494 -1.096 1
1 952 . 18 1 1 A 73 73 LYS N N 73 121.515 115.949 5.566 1
1 953 . 18 1 1 A 74 74 ALA H H 74 6.969 7.556 -0.587 1
1 954 . 18 1 1 A 74 74 ALA HA H 74 5.123 5.122 0.001 1
1 958 . 18 1 1 A 74 74 ALA C C 74 177.490 175.503 1.987 1
1 959 . 18 1 1 A 74 74 ALA CA C 74 51.900 51.240 0.660 1
1 960 . 18 1 1 A 74 74 ALA CB C 74 23.090 23.480 -0.390 1
1 961 . 18 1 1 A 74 74 ALA N N 74 118.780 118.941 -0.161 1
1 962 . 18 1 1 A 75 75 LEU H H 75 8.032 8.148 -0.116 1
1 963 . 18 1 1 A 75 75 LEU HA H 75 4.844 4.596 0.248 1
1 973 . 18 1 1 A 75 75 LEU C C 75 175.540 175.424 0.116 1
1 974 . 18 1 1 A 75 75 LEU CA C 75 54.000 53.204 0.796 1
1 975 . 18 1 1 A 75 75 LEU CB C 75 43.858 43.555 0.303 1
1 979 . 18 1 1 A 75 75 LEU N N 75 122.780 119.279 3.501 1
1 980 . 18 1 1 A 76 76 CYS H H 76 8.813 8.152 0.661 1
1 981 . 18 1 1 A 76 76 CYS HA H 76 5.178 5.001 0.177 1
1 984 . 18 1 1 A 76 76 CYS C C 76 173.080 172.814 0.266 1
1 985 . 18 1 1 A 76 76 CYS CA C 76 55.850 57.469 -1.619 1
1 986 . 18 1 1 A 76 76 CYS CB C 76 31.922 31.924 -0.002 1
1 987 . 18 1 1 A 76 76 CYS N N 76 117.950 119.679 -1.729 1
1 988 . 18 1 1 A 77 77 LEU H H 77 9.621 8.674 0.947 1
1 989 . 18 1 1 A 77 77 LEU HA H 77 4.741 4.753 -0.012 1
1 999 . 18 1 1 A 77 77 LEU C C 77 175.040 175.957 -0.917 1
1 1000 . 18 1 1 A 77 77 LEU CA C 77 53.510 53.885 -0.375 1
1 1001 . 18 1 1 A 77 77 LEU CB C 77 44.058 43.734 0.324 1
1 1005 . 18 1 1 A 77 77 LEU N N 77 123.140 122.764 0.376 1
1 1006 . 18 1 1 A 78 78 PHE H H 78 7.930 8.565 -0.635 1
1 1007 . 18 1 1 A 78 78 PHE HA H 78 4.809 4.633 0.176 1
1 1015 . 18 1 1 A 78 78 PHE C C 78 174.830 176.522 -1.692 1
1 1016 . 18 1 1 A 78 78 PHE CA C 78 58.140 57.817 0.323 1
1 1017 . 18 1 1 A 78 78 PHE CB C 78 39.603 40.217 -0.614 1
1 1021 . 18 1 1 A 78 78 PHE N N 78 120.120 125.200 -5.080 1
1 1022 . 18 1 1 A 79 79 PHE H H 79 8.038 7.800 0.238 1
1 1023 . 18 1 1 A 79 79 PHE HA H 79 5.029 5.351 -0.322 1
1 1031 . 18 1 1 A 79 79 PHE C C 79 172.070 176.036 -3.966 1
1 1032 . 18 1 1 A 79 79 PHE CA C 79 55.630 56.612 -0.982 1
1 1033 . 18 1 1 A 79 79 PHE CB C 79 39.003 41.026 -2.023 1
1 1037 . 18 1 1 A 79 79 PHE N N 79 119.040 118.353 0.687 1
1 1038 . 18 1 1 A 80 80 GLY H H 80 7.489 7.608 -0.119 1
1 1039 . 18 1 1 A 80 80 GLY HA2 H 80 3.653 3.986 -0.333 1
1 1040 . 18 1 1 A 80 80 GLY HA3 H 80 4.283 4.067 0.216 1
1 1041 . 18 1 1 A 80 80 GLY C C 80 170.830 174.047 -3.217 1
1 1042 . 18 1 1 A 80 80 GLY CA C 80 45.342 45.952 -0.610 1
1 1043 . 18 1 1 A 80 80 GLY N N 80 110.010 108.957 1.053 1
1 1044 . 18 1 1 A 81 81 LYS H H 81 8.186 7.924 0.262 1
1 1045 . 18 1 1 A 81 81 LYS HA H 81 4.003 4.487 -0.484 1
1 1054 . 18 1 1 A 81 81 LYS C C 81 177.530 175.928 1.602 1
1 1055 . 18 1 1 A 81 81 LYS CA C 81 57.730 55.992 1.738 1
1 1056 . 18 1 1 A 81 81 LYS CB C 81 33.293 35.595 -2.302 1
1 1060 . 18 1 1 A 81 81 LYS N N 81 117.260 121.325 -4.065 1
1 1061 . 18 1 1 A 82 82 THR H H 82 8.076 7.840 0.236 1
1 1062 . 18 1 1 A 82 82 THR HA H 82 4.423 4.550 -0.127 1
1 1067 . 18 1 1 A 82 82 THR CA C 82 59.230 61.944 -2.714 1
1 1068 . 18 1 1 A 82 82 THR CB C 82 68.310 67.696 0.614 1
1 1070 . 18 1 1 A 82 82 THR N N 82 113.611 113.225 0.386 1
1 1071 . 18 1 1 A 83 83 PRO HA H 83 4.090 4.423 -0.333 1
1 1078 . 18 1 1 A 83 83 PRO CA C 83 63.743 63.684 0.059 1
1 1079 . 18 1 1 A 83 83 PRO CB C 83 32.167 32.391 -0.224 1
1 1082 . 18 1 1 A 84 84 MET HA H 84 4.220 4.713 -0.493 1
1 1090 . 18 1 1 A 84 84 MET C C 84 175.920 175.065 0.855 1
1 1091 . 18 1 1 A 84 84 MET CA C 84 55.880 54.873 1.007 1
1 1092 . 18 1 1 A 84 84 MET CB C 84 33.070 33.211 -0.141 1
1 1095 . 18 1 1 A 85 85 SER H H 85 7.256 7.755 -0.499 1
1 1096 . 18 1 1 A 85 85 SER HA H 85 4.401 4.745 -0.344 1
1 1099 . 18 1 1 A 85 85 SER C C 85 173.380 173.624 -0.244 1
1 1100 . 18 1 1 A 85 85 SER CA C 85 58.230 56.871 1.359 1
1 1101 . 18 1 1 A 85 85 SER CB C 85 64.290 66.507 -2.217 1
1 1102 . 18 1 1 A 85 85 SER N N 85 111.370 111.728 -0.358 1
1 1103 . 18 1 1 A 86 86 ASP H H 86 8.517 8.997 -0.480 1
1 1104 . 18 1 1 A 86 86 ASP HA H 86 4.692 4.708 -0.016 1
1 1107 . 18 1 1 A 86 86 ASP C C 86 175.860 177.112 -1.252 1
1 1108 . 18 1 1 A 86 86 ASP CA C 86 54.150 55.546 -1.396 1
1 1109 . 18 1 1 A 86 86 ASP CB C 86 41.360 43.624 -2.264 1
1 1110 . 18 1 1 A 86 86 ASP N N 86 123.320 121.231 2.089 1
1 1111 . 18 1 1 A 87 87 ASP H H 87 8.412 8.212 0.200 1
1 1112 . 18 1 1 A 87 87 ASP HA H 87 4.529 4.809 -0.280 1
1 1115 . 18 1 1 A 87 87 ASP C C 87 175.270 175.600 -0.330 1
1 1116 . 18 1 1 A 87 87 ASP CA C 87 54.870 54.090 0.780 1
1 1117 . 18 1 1 A 87 87 ASP CB C 87 41.580 42.764 -1.184 1
1 1118 . 18 1 1 A 87 87 ASP N N 87 118.900 117.904 0.996 1
1 1119 . 18 1 1 A 88 88 LYS H H 88 7.869 7.520 0.349 1
1 1120 . 18 1 1 A 88 88 LYS HA H 88 4.372 4.565 -0.193 1
1 1129 . 18 1 1 A 88 88 LYS C C 88 174.870 174.527 0.343 1
1 1130 . 18 1 1 A 88 88 LYS CA C 88 54.580 55.096 -0.516 1
1 1131 . 18 1 1 A 88 88 LYS CB C 88 34.047 34.568 -0.521 1
1 1135 . 18 1 1 A 88 88 LYS N N 88 118.310 114.603 3.707 1
1 1136 . 18 1 1 A 89 89 ILE H H 89 8.604 8.915 -0.311 1
1 1137 . 18 1 1 A 89 89 ILE HA H 89 3.873 4.181 -0.308 1
1 1147 . 18 1 1 A 89 89 ILE C C 89 174.480 174.959 -0.479 1
1 1148 . 18 1 1 A 89 89 ILE CA C 89 61.890 61.108 0.782 1
1 1149 . 18 1 1 A 89 89 ILE CB C 89 36.398 36.587 -0.189 1
1 1153 . 18 1 1 A 89 89 ILE N N 89 121.510 122.764 -1.254 1
1 1154 . 18 1 1 A 90 90 GLN H H 90 8.015 8.390 -0.375 1
1 1155 . 18 1 1 A 90 90 GLN HA H 90 5.033 4.522 0.511 1
1 1162 . 18 1 1 A 90 90 GLN CA C 90 52.110 53.967 -1.857 1
1 1163 . 18 1 1 A 90 90 GLN CB C 90 32.045 28.136 3.909 1
1 1165 . 18 1 1 A 90 90 GLN N N 90 126.430 125.673 0.757 1
1 1167 . 18 1 1 A 91 91 PRO HA H 91 4.508 4.341 0.167 1
1 1174 . 18 1 1 A 91 91 PRO C C 91 175.210 175.914 -0.704 1
1 1175 . 18 1 1 A 91 91 PRO CA C 91 61.680 62.155 -0.475 1
1 1176 . 18 1 1 A 91 91 PRO CB C 91 32.854 32.955 -0.101 1
1 1179 . 18 1 1 A 92 92 ALA H H 92 8.014 8.414 -0.400 1
1 1180 . 18 1 1 A 92 92 ALA HA H 92 3.931 4.315 -0.384 1
1 1184 . 18 1 1 A 92 92 ALA CA C 92 55.270 53.314 1.956 1
1 1185 . 18 1 1 A 92 92 ALA CB C 92 18.838 19.398 -0.560 1
1 1186 . 18 1 1 A 92 92 ALA N N 92 121.420 121.571 -0.151 1
1 1187 . 18 1 1 A 93 93 SER H H 93 7.391 7.859 -0.468 1
1 1188 . 18 1 1 A 93 93 SER HA H 93 4.223 4.607 -0.384 1
1 1191 . 18 1 1 A 93 93 SER C C 93 171.670 172.975 -1.305 1
1 1192 . 18 1 1 A 93 93 SER CA C 93 57.240 57.274 -0.034 1
1 1193 . 18 1 1 A 93 93 SER CB C 93 63.620 65.075 -1.455 1
1 1194 . 18 1 1 A 93 93 SER N N 93 105.210 111.882 -6.672 1
1 1195 . 18 1 1 A 94 94 ALA H H 94 8.276 8.424 -0.148 1
1 1196 . 18 1 1 A 94 94 ALA HA H 94 4.113 4.534 -0.421 1
1 1200 . 18 1 1 A 94 94 ALA C C 94 177.150 176.979 0.171 1
1 1201 . 18 1 1 A 94 94 ALA CA C 94 53.810 52.353 1.457 1
1 1202 . 18 1 1 A 94 94 ALA CB C 94 19.219 18.629 0.590 1
1 1203 . 18 1 1 A 94 94 ALA N N 94 117.972 125.405 -7.433 1
1 1204 . 18 1 1 A 95 95 VAL H H 95 7.886 8.058 -0.172 1
1 1205 . 18 1 1 A 95 95 VAL HA H 95 5.037 4.563 0.474 1
1 1213 . 18 1 1 A 95 95 VAL C C 95 174.060 174.845 -0.785 1
1 1214 . 18 1 1 A 95 95 VAL CA C 95 57.510 60.510 -3.000 1
1 1215 . 18 1 1 A 95 95 VAL CB C 95 35.106 33.973 1.133 1
1 1218 . 18 1 1 A 95 95 VAL N N 95 108.410 119.705 -11.295 1
1 1219 . 18 1 1 A 96 96 ASN H H 96 9.178 8.980 0.198 1
1 1220 . 18 1 1 A 96 96 ASN HA H 96 4.897 5.424 -0.527 1
1 1225 . 18 1 1 A 96 96 ASN C C 96 176.600 174.216 2.384 1
1 1226 . 18 1 1 A 96 96 ASN CA C 96 50.790 51.788 -0.998 1
1 1227 . 18 1 1 A 96 96 ASN CB C 96 39.637 41.390 -1.753 1
1 1228 . 18 1 1 A 96 96 ASN N N 96 121.250 120.156 1.094 1
1 1230 . 18 1 1 A 97 97 VAL H H 97 8.503 8.733 -0.230 1
1 1231 . 18 1 1 A 97 97 VAL HA H 97 4.421 4.329 0.092 1
1 1239 . 18 1 1 A 97 97 VAL C C 97 176.450 176.856 -0.406 1
1 1240 . 18 1 1 A 97 97 VAL CA C 97 66.030 61.987 4.043 1
1 1241 . 18 1 1 A 97 97 VAL CB C 97 30.552 29.879 0.673 1
1 1244 . 18 1 1 A 97 97 VAL N N 97 129.670 126.303 3.367 1
1 1245 . 18 1 1 A 98 98 ILE H H 98 8.129 7.959 0.170 1
1 1246 . 18 1 1 A 98 98 ILE HA H 98 4.628 3.608 1.020 1
1 1256 . 18 1 1 A 98 98 ILE C C 98 174.270 176.332 -2.062 1
1 1257 . 18 1 1 A 98 98 ILE CA C 98 61.240 63.594 -2.354 1
1 1258 . 18 1 1 A 98 98 ILE CB C 98 39.812 37.402 2.410 1
1 1262 . 18 1 1 A 98 98 ILE N N 98 119.500 120.380 -0.880 1
1 1263 . 18 1 1 A 99 99 GLY H H 99 7.668 7.848 -0.180 1
1 1264 . 18 1 1 A 99 99 GLY HA2 H 99 4.435 4.160 0.275 1
1 1265 . 18 1 1 A 99 99 GLY HA3 H 99 4.637 4.169 0.468 1
1 1266 . 18 1 1 A 99 99 GLY C C 99 172.410 172.366 0.044 1
1 1267 . 18 1 1 A 99 99 GLY CA C 99 46.906 44.586 2.320 1
1 1268 . 18 1 1 A 99 99 GLY N N 99 107.230 110.669 -3.439 1
1 1269 . 18 1 1 A 100 100 LYS H H 100 8.347 8.731 -0.384 1
1 1270 . 18 1 1 A 100 100 LYS HA H 100 5.540 5.011 0.529 1
1 1279 . 18 1 1 A 100 100 LYS C C 100 175.740 174.957 0.783 1
1 1280 . 18 1 1 A 100 100 LYS CA C 100 54.150 55.178 -1.028 1
1 1281 . 18 1 1 A 100 100 LYS CB C 100 37.900 36.395 1.505 1
1 1285 . 18 1 1 A 100 100 LYS N N 100 119.730 120.552 -0.822 1
1 1286 . 18 1 1 A 101 101 ILE H H 101 9.542 8.717 0.825 1
1 1287 . 18 1 1 A 101 101 ILE HA H 101 4.184 4.168 0.016 1
1 1297 . 18 1 1 A 101 101 ILE C C 101 176.010 177.539 -1.529 1
1 1298 . 18 1 1 A 101 101 ILE CA C 101 62.940 61.923 1.017 1
1 1299 . 18 1 1 A 101 101 ILE CB C 101 39.212 36.883 2.329 1
1 1303 . 18 1 1 A 101 101 ILE N N 101 124.050 128.005 -3.955 1
1 1304 . 18 1 1 A 102 102 VAL H H 102 8.728 8.137 0.591 1
1 1305 . 18 1 1 A 102 102 VAL HA H 102 4.591 4.062 0.529 1
1 1313 . 18 1 1 A 102 102 VAL C C 102 175.730 175.554 0.176 1
1 1314 . 18 1 1 A 102 102 VAL CA C 102 62.030 64.875 -2.845 1
1 1315 . 18 1 1 A 102 102 VAL CB C 102 33.307 31.842 1.465 1
1 1318 . 18 1 1 A 102 102 VAL N N 102 121.420 125.846 -4.426 1
1 1319 . 18 1 1 A 103 103 GLU H H 103 7.912 8.136 -0.224 1
1 1320 . 18 1 1 A 103 103 GLU HA H 103 4.661 4.617 0.044 1
1 1325 . 18 1 1 A 103 103 GLU C C 103 176.520 176.723 -0.203 1
1 1326 . 18 1 1 A 103 103 GLU CA C 103 56.550 54.930 1.620 1
1 1327 . 18 1 1 A 103 103 GLU CB C 103 34.180 32.884 1.296 1
1 1329 . 18 1 1 A 103 103 GLU N N 103 120.750 119.472 1.278 1
1 1330 . 18 1 1 A 104 104 GLY H H 104 8.934 8.837 0.097 1
1 1331 . 18 1 1 A 104 104 GLY HA2 H 104 3.932 3.981 -0.049 1
1 1332 . 18 1 1 A 104 104 GLY HA3 H 104 4.345 4.009 0.336 1
1 1333 . 18 1 1 A 104 104 GLY C C 104 175.230 174.497 0.733 1
1 1334 . 18 1 1 A 104 104 GLY CA C 104 46.616 46.648 -0.032 1
1 1335 . 18 1 1 A 104 104 GLY N N 104 111.140 111.542 -0.402 1
1 1336 . 18 1 1 A 105 105 LEU H H 105 8.158 7.840 0.318 1
1 1337 . 18 1 1 A 105 105 LEU HA H 105 3.702 4.491 -0.789 1
1 1347 . 18 1 1 A 105 105 LEU C C 105 179.250 178.126 1.124 1
1 1348 . 18 1 1 A 105 105 LEU CA C 105 59.400 55.971 3.429 1
1 1349 . 18 1 1 A 105 105 LEU CB C 105 42.743 44.212 -1.469 1
1 1353 . 18 1 1 A 105 105 LEU N N 105 121.390 121.113 0.277 1
1 1354 . 18 1 1 A 106 106 GLU H H 106 8.944 7.950 0.994 1
1 1355 . 18 1 1 A 106 106 GLU HA H 106 3.978 4.470 -0.492 1
1 1360 . 18 1 1 A 106 106 GLU C C 106 178.120 177.635 0.485 1
1 1361 . 18 1 1 A 106 106 GLU CA C 106 58.720 57.056 1.664 1
1 1362 . 18 1 1 A 106 106 GLU CB C 106 28.920 30.697 -1.777 1
1 1364 . 18 1 1 A 106 106 GLU N N 106 113.860 118.478 -4.618 1
1 1365 . 18 1 1 A 107 107 ASP H H 107 7.538 8.020 -0.482 1
1 1366 . 18 1 1 A 107 107 ASP HA H 107 4.344 4.471 -0.127 1
1 1369 . 18 1 1 A 107 107 ASP C C 107 178.190 177.434 0.756 1
1 1370 . 18 1 1 A 107 107 ASP CA C 107 55.780 56.115 -0.335 1
1 1371 . 18 1 1 A 107 107 ASP CB C 107 41.191 40.438 0.753 1
1 1372 . 18 1 1 A 107 107 ASP N N 107 119.620 120.197 -0.577 1
1 1373 . 18 1 1 A 108 108 LEU H H 108 7.115 7.491 -0.376 1
1 1374 . 18 1 1 A 108 108 LEU HA H 108 3.357 3.619 -0.262 1
1 1384 . 18 1 1 A 108 108 LEU C C 108 177.920 179.031 -1.111 1
1 1385 . 18 1 1 A 108 108 LEU CA C 108 57.000 56.107 0.893 1
1 1386 . 18 1 1 A 108 108 LEU CB C 108 38.445 40.238 -1.793 1
1 1390 . 18 1 1 A 108 108 LEU N N 108 117.551 117.858 -0.307 1
1 1391 . 18 1 1 A 109 109 LYS H H 109 7.179 7.627 -0.448 1
1 1392 . 18 1 1 A 109 109 LYS HA H 109 3.879 4.218 -0.339 1
1 1401 . 18 1 1 A 109 109 LYS C C 109 176.650 178.472 -1.822 1
1 1402 . 18 1 1 A 109 109 LYS CA C 109 57.792 59.601 -1.809 1
1 1403 . 18 1 1 A 109 109 LYS CB C 109 32.184 32.075 0.109 1
1 1407 . 18 1 1 A 109 109 LYS N N 109 115.080 118.915 -3.835 1
1 1408 . 18 1 1 A 110 110 LYS H H 110 7.364 7.961 -0.597 1
1 1409 . 18 1 1 A 110 110 LYS HA H 110 4.016 4.356 -0.340 1
1 1418 . 18 1 1 A 110 110 LYS C C 110 175.890 176.212 -0.322 1
1 1419 . 18 1 1 A 110 110 LYS CA C 110 56.550 56.840 -0.290 1
1 1420 . 18 1 1 A 110 110 LYS CB C 110 32.972 32.146 0.826 1
1 1424 . 18 1 1 A 110 110 LYS N N 110 116.720 114.534 2.186 1
1 1425 . 18 1 1 A 111 111 ILE H H 111 6.626 6.879 -0.253 1
1 1426 . 18 1 1 A 111 111 ILE HA H 111 3.531 3.974 -0.443 1
1 1436 . 18 1 1 A 111 111 ILE C C 111 176.180 175.737 0.443 1
1 1437 . 18 1 1 A 111 111 ILE CA C 111 59.950 60.993 -1.043 1
1 1438 . 18 1 1 A 111 111 ILE CB C 111 34.946 37.855 -2.909 1
1 1442 . 18 1 1 A 111 111 ILE N N 111 117.000 121.853 -4.853 1
1 1443 . 18 1 1 A 112 112 LYS H H 112 8.388 8.509 -0.121 1
1 1444 . 18 1 1 A 112 112 LYS HA H 112 4.356 4.691 -0.335 1
1 1453 . 18 1 1 A 112 112 LYS C C 112 175.750 177.452 -1.702 1
1 1454 . 18 1 1 A 112 112 LYS CA C 112 54.430 54.472 -0.042 1
1 1455 . 18 1 1 A 112 112 LYS CB C 112 33.936 35.045 -1.109 1
1 1459 . 18 1 1 A 112 112 LYS N N 112 128.240 123.533 4.707 1
1 1460 . 18 1 1 A 113 113 ASP H H 113 8.103 8.909 -0.806 1
1 1461 . 18 1 1 A 113 113 ASP HA H 113 4.026 4.803 -0.777 1
1 1464 . 18 1 1 A 113 113 ASP C C 113 177.630 176.779 0.851 1
1 1465 . 18 1 1 A 113 113 ASP CA C 113 56.660 54.042 2.618 1
1 1466 . 18 1 1 A 113 113 ASP CB C 113 42.033 40.874 1.159 1
1 1467 . 18 1 1 A 113 113 ASP N N 113 119.040 121.956 -2.916 1
1 1468 . 18 1 1 A 114 114 GLY H H 114 8.635 7.439 1.196 1
1 1469 . 18 1 1 A 114 114 GLY HA2 H 114 3.547 4.085 -0.538 1
1 1470 . 18 1 1 A 114 114 GLY HA3 H 114 4.229 4.091 0.138 1
1 1471 . 18 1 1 A 114 114 GLY C C 114 174.640 174.255 0.385 1
1 1472 . 18 1 1 A 114 114 GLY CA C 114 45.403 45.760 -0.357 1
1 1473 . 18 1 1 A 114 114 GLY N N 114 113.170 106.614 6.556 1
1 1474 . 18 1 1 A 115 115 GLU H H 115 7.346 8.546 -1.200 1
1 1475 . 18 1 1 A 115 115 GLU HA H 115 4.113 4.434 -0.321 1
1 1480 . 18 1 1 A 115 115 GLU C C 115 175.840 175.222 0.618 1
1 1481 . 18 1 1 A 115 115 GLU CA C 115 58.180 56.172 2.008 1
1 1482 . 18 1 1 A 115 115 GLU CB C 115 30.902 29.554 1.348 1
1 1484 . 18 1 1 A 115 115 GLU N N 115 119.440 119.482 -0.042 1
1 1485 . 18 1 1 A 116 116 LYS H H 116 9.107 7.927 1.180 1
1 1486 . 18 1 1 A 116 116 LYS HA H 116 4.529 4.044 0.485 1
1 1495 . 18 1 1 A 116 116 LYS C C 116 176.050 175.075 0.975 1
1 1496 . 18 1 1 A 116 116 LYS CA C 116 56.820 57.035 -0.215 1
1 1497 . 18 1 1 A 116 116 LYS CB C 116 33.358 30.832 2.526 1
1 1501 . 18 1 1 A 116 116 LYS N N 116 121.800 115.884 5.916 1
1 1502 . 18 1 1 A 117 117 VAL H H 117 7.860 7.309 0.551 1
1 1503 . 18 1 1 A 117 117 VAL HA H 117 4.668 3.963 0.705 1
1 1511 . 18 1 1 A 117 117 VAL C C 117 171.630 174.753 -3.123 1
1 1512 . 18 1 1 A 117 117 VAL CA C 117 57.440 62.357 -4.917 1
1 1513 . 18 1 1 A 117 117 VAL CB C 117 34.614 31.902 2.712 1
1 1516 . 18 1 1 A 117 117 VAL N N 117 118.940 118.128 0.812 1
1 1517 . 18 1 1 A 118 118 ALA H H 118 8.310 8.459 -0.149 1
1 1518 . 18 1 1 A 118 118 ALA HA H 118 4.506 4.374 0.132 1
1 1522 . 18 1 1 A 118 118 ALA C C 118 174.660 175.955 -1.295 1
1 1523 . 18 1 1 A 118 118 ALA CA C 118 50.370 50.605 -0.235 1
1 1524 . 18 1 1 A 118 118 ALA CB C 118 20.250 19.334 0.916 1
1 1525 . 18 1 1 A 118 118 ALA N N 118 130.190 131.052 -0.862 1
1 1526 . 18 1 1 A 119 119 VAL H H 119 8.295 8.158 0.137 1
1 1527 . 18 1 1 A 119 119 VAL HA H 119 4.096 4.016 0.080 1
1 1535 . 18 1 1 A 119 119 VAL C C 119 175.320 175.805 -0.485 1
1 1536 . 18 1 1 A 119 119 VAL CA C 119 61.570 62.502 -0.932 1
1 1537 . 18 1 1 A 119 119 VAL CB C 119 31.445 30.546 0.899 1
1 1540 . 18 1 1 A 119 119 VAL N N 119 123.160 123.153 0.007 1
1 1541 . 18 1 1 A 120 120 ARG H H 120 8.596 8.938 -0.342 1
1 1542 . 18 1 1 A 120 120 ARG HA H 120 4.534 4.564 -0.030 1
1 1550 . 18 1 1 A 120 120 ARG C C 120 175.260 176.045 -0.785 1
1 1551 . 18 1 1 A 120 120 ARG CA C 120 53.740 53.622 0.118 1
1 1552 . 18 1 1 A 120 120 ARG CB C 120 34.359 33.669 0.690 1
1 1555 . 18 1 1 A 120 120 ARG N N 120 123.692 127.084 -3.392 1
1 1557 . 18 1 1 A 121 121 PHE H H 121 8.585 8.691 -0.106 1
1 1558 . 18 1 1 A 121 121 PHE HA H 121 4.591 4.546 0.045 1
1 1566 . 18 1 1 A 121 121 PHE C C 121 176.430 174.750 1.680 1
1 1567 . 18 1 1 A 121 121 PHE CA C 121 60.370 57.570 2.800 1
1 1568 . 18 1 1 A 121 121 PHE CB C 121 38.713 39.067 -0.354 1
1 1572 . 18 1 1 A 121 121 PHE N N 121 120.110 119.485 0.625 1
1 1573 . 18 1 1 A 122 122 ALA H H 122 7.896 8.047 -0.151 1
1 1574 . 18 1 1 A 122 122 ALA HA H 122 4.304 4.129 0.175 1
1 1578 . 18 1 1 A 122 122 ALA C C 122 177.430 177.356 0.074 1
1 1579 . 18 1 1 A 122 122 ALA CA C 122 52.050 53.132 -1.082 1
1 1580 . 18 1 1 A 122 122 ALA CB C 122 19.865 17.964 1.901 1
1 1581 . 18 1 1 A 122 122 ALA N N 122 123.820 121.162 2.658 1
1 1582 . 18 1 1 A 123 123 SER H H 123 8.675 8.381 0.294 1
1 1583 . 18 1 1 A 123 123 SER HA H 123 4.372 4.175 0.197 1
1 1586 . 18 1 1 A 123 123 SER C C 123 173.630 174.379 -0.749 1
1 1587 . 18 1 1 A 123 123 SER CA C 123 58.750 60.161 -1.411 1
1 1588 . 18 1 1 A 123 123 SER CB C 123 63.870 63.694 0.176 1
1 1589 . 18 1 1 A 123 123 SER N N 123 117.330 120.856 -3.526 1
1 14 . 19 1 1 A 2 2 ARG H H 2 9.247 8.905 0.342 1
1 15 . 19 1 1 A 2 2 ARG HA H 2 5.249 4.806 0.443 1
1 23 . 19 1 1 A 2 2 ARG C C 2 176.020 175.503 0.517 1
1 24 . 19 1 1 A 2 2 ARG CA C 2 56.360 55.796 0.564 1
1 25 . 19 1 1 A 2 2 ARG CB C 2 31.953 32.356 -0.403 1
1 28 . 19 1 1 A 2 2 ARG N N 2 129.420 126.757 2.663 1
1 30 . 19 1 1 A 3 3 VAL H H 3 9.361 8.465 0.896 1
1 31 . 19 1 1 A 3 3 VAL HA H 3 4.464 5.119 -0.655 1
1 39 . 19 1 1 A 3 3 VAL C C 3 173.160 173.994 -0.834 1
1 40 . 19 1 1 A 3 3 VAL CA C 3 61.330 60.454 0.876 1
1 41 . 19 1 1 A 3 3 VAL CB C 3 36.251 35.902 0.349 1
1 44 . 19 1 1 A 3 3 VAL N N 3 126.750 119.737 7.013 1
1 45 . 19 1 1 A 4 4 GLU H H 4 9.294 9.414 -0.120 1
1 46 . 19 1 1 A 4 4 GLU HA H 4 4.807 5.152 -0.345 1
1 51 . 19 1 1 A 4 4 GLU C C 4 173.020 174.788 -1.768 1
1 52 . 19 1 1 A 4 4 GLU CA C 4 54.890 54.565 0.325 1
1 53 . 19 1 1 A 4 4 GLU CB C 4 33.146 33.156 -0.010 1
1 55 . 19 1 1 A 4 4 GLU N N 4 128.550 127.771 0.779 1
1 56 . 19 1 1 A 5 5 LEU H H 5 8.685 9.243 -0.558 1
1 57 . 19 1 1 A 5 5 LEU HA H 5 4.547 4.561 -0.014 1
1 67 . 19 1 1 A 5 5 LEU C C 5 173.750 175.232 -1.482 1
1 68 . 19 1 1 A 5 5 LEU CA C 5 52.450 53.539 -1.089 1
1 69 . 19 1 1 A 5 5 LEU CB C 5 41.998 42.609 -0.611 1
1 73 . 19 1 1 A 5 5 LEU N N 5 124.490 127.077 -2.587 1
1 74 . 19 1 1 A 6 6 LEU H H 6 8.608 8.711 -0.103 1
1 75 . 19 1 1 A 6 6 LEU HA H 6 4.502 4.737 -0.235 1
1 85 . 19 1 1 A 6 6 LEU C C 6 176.550 175.667 0.883 1
1 86 . 19 1 1 A 6 6 LEU CA C 6 53.790 53.870 -0.080 1
1 87 . 19 1 1 A 6 6 LEU CB C 6 42.240 43.118 -0.878 1
1 91 . 19 1 1 A 6 6 LEU N N 6 123.330 125.282 -1.952 1
1 92 . 19 1 1 A 7 7 PHE H H 7 8.344 9.135 -0.791 1
1 93 . 19 1 1 A 7 7 PHE HA H 7 5.378 4.795 0.583 1
1 101 . 19 1 1 A 7 7 PHE C C 7 175.050 176.230 -1.180 1
1 102 . 19 1 1 A 7 7 PHE CA C 7 55.830 56.829 -0.999 1
1 103 . 19 1 1 A 7 7 PHE CB C 7 39.383 43.249 -3.866 1
1 108 . 19 1 1 A 7 7 PHE N N 7 125.190 122.278 2.912 1
1 109 . 19 1 1 A 8 8 GLU H H 8 8.226 9.277 -1.051 1
1 110 . 19 1 1 A 8 8 GLU HA H 8 4.266 4.127 0.139 1
1 115 . 19 1 1 A 8 8 GLU C C 8 180.740 177.213 3.527 1
1 116 . 19 1 1 A 8 8 GLU CA C 8 59.530 59.634 -0.104 1
1 117 . 19 1 1 A 8 8 GLU CB C 8 29.723 29.486 0.237 1
1 119 . 19 1 1 A 8 8 GLU N N 8 120.100 123.310 -3.210 1
1 120 . 19 1 1 A 9 9 SER H H 9 9.069 8.152 0.917 1
1 121 . 19 1 1 A 9 9 SER HA H 9 4.467 4.599 -0.132 1
1 124 . 19 1 1 A 9 9 SER C C 9 173.740 174.162 -0.422 1
1 125 . 19 1 1 A 9 9 SER CA C 9 58.600 58.805 -0.205 1
1 126 . 19 1 1 A 9 9 SER CB C 9 63.120 64.568 -1.448 1
1 127 . 19 1 1 A 9 9 SER N N 9 112.770 111.644 1.126 1
1 128 . 19 1 1 A 10 10 GLY H H 10 6.925 7.261 -0.336 1
1 129 . 19 1 1 A 10 10 GLY HA2 H 10 3.896 4.124 -0.228 1
1 130 . 19 1 1 A 10 10 GLY HA3 H 10 3.896 4.132 -0.236 1
1 131 . 19 1 1 A 10 10 GLY C C 10 170.040 171.304 -1.264 1
1 132 . 19 1 1 A 10 10 GLY CA C 10 45.466 45.786 -0.320 1
1 133 . 19 1 1 A 10 10 GLY N N 10 105.760 107.660 -1.900 1
1 134 . 19 1 1 A 11 11 LYS H H 11 9.071 8.640 0.431 1
1 135 . 19 1 1 A 11 11 LYS HA H 11 5.484 5.638 -0.154 1
1 144 . 19 1 1 A 11 11 LYS C C 11 174.230 174.389 -0.159 1
1 145 . 19 1 1 A 11 11 LYS CA C 11 55.460 54.998 0.462 1
1 146 . 19 1 1 A 11 11 LYS CB C 11 36.408 36.611 -0.203 1
1 150 . 19 1 1 A 11 11 LYS N N 11 118.960 117.938 1.022 1
1 151 . 19 1 1 A 12 12 CYS H H 12 8.917 9.285 -0.368 1
1 152 . 19 1 1 A 12 12 CYS HA H 12 5.083 5.193 -0.110 1
1 155 . 19 1 1 A 12 12 CYS C C 12 171.760 172.344 -0.584 1
1 156 . 19 1 1 A 12 12 CYS CA C 12 56.770 56.419 0.351 1
1 157 . 19 1 1 A 12 12 CYS CB C 12 31.267 32.624 -1.357 1
1 158 . 19 1 1 A 12 12 CYS N N 12 115.700 118.853 -3.153 1
1 159 . 19 1 1 A 13 13 VAL H H 13 8.474 8.702 -0.228 1
1 160 . 19 1 1 A 13 13 VAL HA H 13 4.992 4.855 0.137 1
1 168 . 19 1 1 A 13 13 VAL C C 13 175.660 175.406 0.254 1
1 169 . 19 1 1 A 13 13 VAL CA C 13 61.490 60.995 0.495 1
1 170 . 19 1 1 A 13 13 VAL CB C 13 35.125 35.262 -0.137 1
1 173 . 19 1 1 A 13 13 VAL N N 13 120.490 119.844 0.646 1
1 174 . 19 1 1 A 14 14 ILE H H 14 9.378 9.399 -0.021 1
1 175 . 19 1 1 A 14 14 ILE HA H 14 5.335 5.389 -0.054 1
1 185 . 19 1 1 A 14 14 ILE C C 14 172.570 173.477 -0.907 1
1 186 . 19 1 1 A 14 14 ILE CA C 14 58.540 58.797 -0.257 1
1 187 . 19 1 1 A 14 14 ILE CB C 14 40.755 41.094 -0.339 1
1 191 . 19 1 1 A 14 14 ILE N N 14 120.140 122.827 -2.687 1
1 192 . 19 1 1 A 15 15 ASP H H 15 9.295 9.002 0.293 1
1 193 . 19 1 1 A 15 15 ASP HA H 15 5.274 5.506 -0.232 1
1 196 . 19 1 1 A 15 15 ASP C C 15 176.510 174.569 1.941 1
1 197 . 19 1 1 A 15 15 ASP CA C 15 53.050 52.611 0.439 1
1 198 . 19 1 1 A 15 15 ASP CB C 15 44.007 44.537 -0.530 1
1 199 . 19 1 1 A 15 15 ASP N N 15 123.200 124.272 -1.072 1
1 200 . 19 1 1 A 16 16 LEU H H 16 8.892 9.325 -0.433 1
1 201 . 19 1 1 A 16 16 LEU HA H 16 4.981 5.193 -0.212 1
1 211 . 19 1 1 A 16 16 LEU C C 16 175.430 175.800 -0.370 1
1 212 . 19 1 1 A 16 16 LEU CA C 16 53.040 53.514 -0.474 1
1 213 . 19 1 1 A 16 16 LEU CB C 16 45.782 46.047 -0.265 1
1 217 . 19 1 1 A 16 16 LEU N N 16 123.620 126.405 -2.785 1
1 218 . 19 1 1 A 17 17 ASN H H 17 8.694 8.878 -0.184 1
1 219 . 19 1 1 A 17 17 ASN HA H 17 4.632 5.266 -0.634 1
1 224 . 19 1 1 A 17 17 ASN C C 17 175.500 173.866 1.634 1
1 225 . 19 1 1 A 17 17 ASN CA C 17 53.310 51.772 1.538 1
1 226 . 19 1 1 A 17 17 ASN CB C 17 38.508 41.123 -2.615 1
1 227 . 19 1 1 A 17 17 ASN N N 17 121.330 119.092 2.238 1
1 229 . 19 1 1 A 18 18 GLU H H 18 8.793 8.959 -0.166 1
1 230 . 19 1 1 A 18 18 GLU HA H 18 3.736 4.419 -0.683 1
1 235 . 19 1 1 A 18 18 GLU C C 18 175.250 176.673 -1.423 1
1 236 . 19 1 1 A 18 18 GLU CA C 18 58.330 56.060 2.270 1
1 237 . 19 1 1 A 18 18 GLU CB C 18 29.947 27.844 2.103 1
1 239 . 19 1 1 A 18 18 GLU N N 18 124.750 126.024 -1.274 1
1 240 . 19 1 1 A 19 19 GLU H H 19 8.187 8.119 0.068 1
1 241 . 19 1 1 A 19 19 GLU HA H 19 3.885 4.402 -0.517 1
1 246 . 19 1 1 A 19 19 GLU C C 19 177.350 175.540 1.810 1
1 247 . 19 1 1 A 19 19 GLU CA C 19 57.730 57.135 0.595 1
1 248 . 19 1 1 A 19 19 GLU CB C 19 29.744 32.476 -2.732 1
1 250 . 19 1 1 A 19 19 GLU N N 19 117.280 118.983 -1.703 1
1 251 . 19 1 1 A 20 20 TYR H H 20 7.135 6.791 0.344 1
1 252 . 19 1 1 A 20 20 TYR HA H 20 4.668 4.451 0.217 1
1 259 . 19 1 1 A 20 20 TYR CA C 20 56.050 58.809 -2.759 1
1 260 . 19 1 1 A 20 20 TYR CB C 20 38.464 39.007 -0.543 1
1 263 . 19 1 1 A 20 20 TYR N N 20 117.730 119.752 -2.022 1
1 264 . 19 1 1 A 21 21 GLU H H 21 10.044 9.092 0.952 1
1 265 . 19 1 1 A 21 21 GLU HA H 21 3.807 3.912 -0.105 1
1 270 . 19 1 1 A 21 21 GLU C C 21 179.150 178.396 0.754 1
1 271 . 19 1 1 A 21 21 GLU CA C 21 60.640 59.878 0.762 1
1 272 . 19 1 1 A 21 21 GLU CB C 21 29.167 29.180 -0.013 1
1 274 . 19 1 1 A 21 21 GLU N N 21 129.480 123.943 5.537 1
1 275 . 19 1 1 A 22 22 VAL H H 22 9.539 8.037 1.502 1
1 276 . 19 1 1 A 22 22 VAL HA H 22 3.574 3.691 -0.117 1
1 284 . 19 1 1 A 22 22 VAL C C 22 175.490 178.511 -3.021 1
1 285 . 19 1 1 A 22 22 VAL CA C 22 64.470 66.040 -1.570 1
1 286 . 19 1 1 A 22 22 VAL CB C 22 30.858 31.602 -0.744 1
1 289 . 19 1 1 A 22 22 VAL N N 22 115.360 119.904 -4.544 1
1 290 . 19 1 1 A 23 23 VAL H H 23 6.843 7.874 -1.031 1
1 291 . 19 1 1 A 23 23 VAL HA H 23 3.387 3.676 -0.289 1
1 299 . 19 1 1 A 23 23 VAL C C 23 176.900 178.204 -1.304 1
1 300 . 19 1 1 A 23 23 VAL CA C 23 67.030 66.833 0.197 1
1 301 . 19 1 1 A 23 23 VAL CB C 23 31.499 31.689 -0.190 1
1 304 . 19 1 1 A 23 23 VAL N N 23 121.150 120.863 0.287 1
1 305 . 19 1 1 A 24 24 LYS H H 24 7.533 7.873 -0.340 1
1 306 . 19 1 1 A 24 24 LYS HA H 24 3.851 4.010 -0.159 1
1 315 . 19 1 1 A 24 24 LYS C C 24 179.820 179.465 0.355 1
1 316 . 19 1 1 A 24 24 LYS CA C 24 60.480 59.659 0.821 1
1 317 . 19 1 1 A 24 24 LYS CB C 24 32.626 32.620 0.006 1
1 321 . 19 1 1 A 24 24 LYS N N 24 120.120 119.256 0.864 1
1 322 . 19 1 1 A 25 25 LEU H H 25 7.870 8.108 -0.238 1
1 323 . 19 1 1 A 25 25 LEU HA H 25 4.097 4.124 -0.027 1
1 333 . 19 1 1 A 25 25 LEU C C 25 180.620 179.154 1.466 1
1 334 . 19 1 1 A 25 25 LEU CA C 25 57.440 57.226 0.214 1
1 335 . 19 1 1 A 25 25 LEU CB C 25 41.717 41.296 0.421 1
1 339 . 19 1 1 A 25 25 LEU N N 25 117.260 120.004 -2.744 1
1 340 . 19 1 1 A 26 26 LEU H H 26 8.489 8.584 -0.095 1
1 341 . 19 1 1 A 26 26 LEU HA H 26 3.703 3.948 -0.245 1
1 351 . 19 1 1 A 26 26 LEU C C 26 178.820 178.658 0.162 1
1 352 . 19 1 1 A 26 26 LEU CA C 26 58.310 57.807 0.503 1
1 353 . 19 1 1 A 26 26 LEU CB C 26 42.487 41.327 1.160 1
1 357 . 19 1 1 A 26 26 LEU N N 26 121.760 119.902 1.858 1
1 358 . 19 1 1 A 27 27 LYS H H 27 8.190 8.210 -0.020 1
1 359 . 19 1 1 A 27 27 LYS HA H 27 3.799 4.171 -0.372 1
1 368 . 19 1 1 A 27 27 LYS C C 27 177.470 179.538 -2.068 1
1 369 . 19 1 1 A 27 27 LYS CA C 27 60.480 60.072 0.408 1
1 370 . 19 1 1 A 27 27 LYS CB C 27 33.472 32.390 1.082 1
1 374 . 19 1 1 A 27 27 LYS N N 27 117.650 120.651 -3.001 1
1 375 . 19 1 1 A 28 28 GLU H H 28 6.841 8.211 -1.370 1
1 376 . 19 1 1 A 28 28 GLU HA H 28 4.238 4.185 0.053 1
1 381 . 19 1 1 A 28 28 GLU C C 28 177.280 177.617 -0.337 1
1 382 . 19 1 1 A 28 28 GLU CA C 28 57.370 59.161 -1.791 1
1 383 . 19 1 1 A 28 28 GLU CB C 28 30.480 29.223 1.257 1
1 385 . 19 1 1 A 28 28 GLU N N 28 111.940 119.446 -7.506 1
1 386 . 19 1 1 A 29 29 LYS H H 29 7.577 7.734 -0.157 1
1 387 . 19 1 1 A 29 29 LYS HA H 29 4.414 4.433 -0.019 1
1 396 . 19 1 1 A 29 29 LYS C C 29 175.230 175.762 -0.532 1
1 397 . 19 1 1 A 29 29 LYS CA C 29 53.800 55.892 -2.092 1
1 398 . 19 1 1 A 29 29 LYS CB C 29 33.530 33.606 -0.076 1
1 402 . 19 1 1 A 29 29 LYS N N 29 115.460 116.888 -1.428 1
1 403 . 19 1 1 A 30 30 ILE H H 30 6.921 7.266 -0.345 1
1 404 . 19 1 1 A 30 30 ILE HA H 30 3.939 4.394 -0.455 1
1 414 . 19 1 1 A 30 30 ILE CA C 30 60.290 57.540 2.750 1
1 415 . 19 1 1 A 30 30 ILE CB C 30 39.967 38.171 1.796 1
1 419 . 19 1 1 A 30 30 ILE N N 30 122.100 120.536 1.564 1
1 420 . 19 1 1 A 31 31 PRO HA H 31 4.840 4.958 -0.118 1
1 427 . 19 1 1 A 31 31 PRO C C 31 175.340 176.442 -1.102 1
1 428 . 19 1 1 A 31 31 PRO CA C 31 62.720 62.354 0.366 1
1 429 . 19 1 1 A 31 31 PRO CB C 31 36.350 33.273 3.077 1
1 432 . 19 1 1 A 32 32 PHE H H 32 7.627 8.844 -1.217 1
1 433 . 19 1 1 A 32 32 PHE HA H 32 4.959 5.130 -0.171 1
1 441 . 19 1 1 A 32 32 PHE C C 32 171.870 172.385 -0.515 1
1 442 . 19 1 1 A 32 32 PHE CA C 32 56.300 56.035 0.265 1
1 443 . 19 1 1 A 32 32 PHE CB C 32 40.253 41.959 -1.706 1
1 447 . 19 1 1 A 32 32 PHE N N 32 112.880 117.297 -4.417 1
1 448 . 19 1 1 A 33 33 GLU H H 33 8.728 8.636 0.092 1
1 449 . 19 1 1 A 33 33 GLU HA H 33 5.309 5.329 -0.020 1
1 454 . 19 1 1 A 33 33 GLU C C 33 175.630 175.060 0.570 1
1 455 . 19 1 1 A 33 33 GLU CA C 33 54.450 54.570 -0.120 1
1 456 . 19 1 1 A 33 33 GLU CB C 33 33.814 33.461 0.353 1
1 458 . 19 1 1 A 33 33 GLU N N 33 118.710 119.096 -0.386 1
1 459 . 19 1 1 A 34 34 SER H H 34 8.964 8.459 0.505 1
1 460 . 19 1 1 A 34 34 SER HA H 34 4.803 4.933 -0.130 1
1 463 . 19 1 1 A 34 34 SER C C 34 174.560 172.958 1.602 1
1 464 . 19 1 1 A 34 34 SER CA C 34 55.830 56.561 -0.731 1
1 465 . 19 1 1 A 34 34 SER CB C 34 64.270 66.174 -1.904 1
1 466 . 19 1 1 A 34 34 SER N N 34 115.150 115.362 -0.212 1
1 467 . 19 1 1 A 35 35 VAL H H 35 8.322 8.704 -0.382 1
1 468 . 19 1 1 A 35 35 VAL HA H 35 4.724 4.337 0.387 1
1 476 . 19 1 1 A 35 35 VAL C C 35 174.950 175.647 -0.697 1
1 477 . 19 1 1 A 35 35 VAL CA C 35 61.350 62.271 -0.921 1
1 478 . 19 1 1 A 35 35 VAL CB C 35 35.676 32.320 3.356 1
1 481 . 19 1 1 A 35 35 VAL N N 35 121.700 122.725 -1.025 1
1 482 . 19 1 1 A 36 36 VAL H H 36 9.200 8.838 0.362 1
1 483 . 19 1 1 A 36 36 VAL HA H 36 3.999 4.498 -0.499 1
1 491 . 19 1 1 A 36 36 VAL C C 36 175.490 175.376 0.114 1
1 492 . 19 1 1 A 36 36 VAL CA C 36 63.900 62.081 1.819 1
1 493 . 19 1 1 A 36 36 VAL CB C 36 33.593 30.314 3.279 1
1 496 . 19 1 1 A 36 36 VAL N N 36 123.870 128.396 -4.526 1
1 497 . 19 1 1 A 37 37 ASN H H 37 8.739 7.969 0.770 1
1 498 . 19 1 1 A 37 37 ASN HA H 37 5.276 4.734 0.542 1
1 503 . 19 1 1 A 37 37 ASN C C 37 174.040 175.355 -1.315 1
1 504 . 19 1 1 A 37 37 ASN CA C 37 51.960 53.809 -1.849 1
1 505 . 19 1 1 A 37 37 ASN CB C 37 41.996 38.430 3.566 1
1 506 . 19 1 1 A 37 37 ASN N N 37 123.895 123.850 0.045 1
1 508 . 19 1 1 A 38 38 THR H H 38 8.703 9.077 -0.374 1
1 509 . 19 1 1 A 38 38 THR HA H 38 5.323 5.711 -0.388 1
1 514 . 19 1 1 A 38 38 THR C C 38 174.910 173.737 1.173 1
1 515 . 19 1 1 A 38 38 THR CA C 38 59.740 59.500 0.240 1
1 516 . 19 1 1 A 38 38 THR CB C 38 71.332 72.328 -0.996 1
1 518 . 19 1 1 A 38 38 THR N N 38 111.440 111.268 0.172 1
1 519 . 19 1 1 A 39 39 TRP H H 39 8.489 8.720 -0.231 1
1 520 . 19 1 1 A 39 39 TRP HA H 39 4.838 4.961 -0.123 1
1 529 . 19 1 1 A 39 39 TRP C C 39 175.270 175.808 -0.538 1
1 530 . 19 1 1 A 39 39 TRP CA C 39 57.040 56.742 0.298 1
1 531 . 19 1 1 A 39 39 TRP CB C 39 29.089 30.772 -1.683 1
1 537 . 19 1 1 A 39 39 TRP N N 39 125.321 124.162 1.159 1
1 539 . 19 1 1 A 40 40 GLY H H 40 8.596 8.454 0.142 1
1 540 . 19 1 1 A 40 40 GLY HA2 H 40 3.528 3.514 0.014 1
1 541 . 19 1 1 A 40 40 GLY HA3 H 40 3.465 3.688 -0.223 1
1 542 . 19 1 1 A 40 40 GLY CA C 40 47.619 46.221 1.398 1
1 543 . 19 1 1 A 40 40 GLY N N 40 113.220 114.162 -0.942 1
1 544 . 19 1 1 A 41 41 GLU H H 41 7.870 8.485 -0.615 1
1 545 . 19 1 1 A 41 41 GLU HA H 41 3.717 3.788 -0.071 1
1 550 . 19 1 1 A 41 41 GLU C C 41 171.810 174.404 -2.594 1
1 551 . 19 1 1 A 41 41 GLU CA C 41 55.390 57.245 -1.855 1
1 552 . 19 1 1 A 41 41 GLU CB C 41 26.025 28.364 -2.339 1
1 554 . 19 1 1 A 41 41 GLU N N 41 128.227 116.685 11.542 1
1 555 . 19 1 1 A 42 42 GLU H H 42 7.158 7.438 -0.280 1
1 556 . 19 1 1 A 42 42 GLU HA H 42 4.811 4.673 0.138 1
1 561 . 19 1 1 A 42 42 GLU C C 42 175.680 174.232 1.448 1
1 562 . 19 1 1 A 42 42 GLU CA C 42 53.860 54.392 -0.532 1
1 563 . 19 1 1 A 42 42 GLU CB C 42 31.149 32.795 -1.646 1
1 565 . 19 1 1 A 42 42 GLU N N 42 116.880 114.181 2.699 1
1 566 . 19 1 1 A 43 43 ILE H H 43 8.226 8.459 -0.233 1
1 567 . 19 1 1 A 43 43 ILE HA H 43 4.934 5.158 -0.224 1
1 577 . 19 1 1 A 43 43 ILE C C 43 174.420 174.968 -0.548 1
1 578 . 19 1 1 A 43 43 ILE CA C 43 59.250 60.594 -1.344 1
1 579 . 19 1 1 A 43 43 ILE CB C 43 43.278 40.962 2.316 1
1 583 . 19 1 1 A 43 43 ILE N N 43 125.120 121.454 3.666 1
1 584 . 19 1 1 A 44 44 TYR H H 44 9.318 9.101 0.217 1
1 585 . 19 1 1 A 44 44 TYR HA H 44 6.008 5.633 0.375 1
1 592 . 19 1 1 A 44 44 TYR C C 44 174.150 173.157 0.993 1
1 593 . 19 1 1 A 44 44 TYR CA C 44 55.740 55.248 0.492 1
1 594 . 19 1 1 A 44 44 TYR CB C 44 42.606 42.061 0.545 1
1 597 . 19 1 1 A 44 44 TYR N N 44 124.370 124.231 0.139 1
1 598 . 19 1 1 A 45 45 PHE H H 45 8.211 8.750 -0.539 1
1 599 . 19 1 1 A 45 45 PHE HA H 45 5.088 5.636 -0.548 1
1 607 . 19 1 1 A 45 45 PHE C C 45 173.730 173.764 -0.034 1
1 608 . 19 1 1 A 45 45 PHE CA C 45 55.140 55.361 -0.221 1
1 609 . 19 1 1 A 45 45 PHE CB C 45 40.793 42.613 -1.820 1
1 613 . 19 1 1 A 45 45 PHE N N 45 114.110 117.419 -3.309 1
1 614 . 19 1 1 A 46 46 SER H H 46 9.523 8.649 0.874 1
1 615 . 19 1 1 A 46 46 SER HA H 46 4.316 4.861 -0.545 1
1 618 . 19 1 1 A 46 46 SER C C 46 174.360 174.024 0.336 1
1 619 . 19 1 1 A 46 46 SER CA C 46 59.960 57.885 2.075 1
1 620 . 19 1 1 A 46 46 SER CB C 46 63.980 62.287 1.693 1
1 621 . 19 1 1 A 46 46 SER N N 46 117.150 115.032 2.118 1
1 622 . 19 1 1 A 47 47 THR H H 47 8.225 8.358 -0.133 1
1 623 . 19 1 1 A 47 47 THR HA H 47 4.971 4.738 0.233 1
1 628 . 19 1 1 A 47 47 THR CA C 47 59.160 60.642 -1.482 1
1 629 . 19 1 1 A 47 47 THR CB C 47 70.385 68.973 1.412 1
1 631 . 19 1 1 A 47 47 THR N N 47 113.910 115.414 -1.504 1
1 632 . 19 1 1 A 48 48 PRO HA H 48 4.585 4.438 0.147 1
1 639 . 19 1 1 A 48 48 PRO C C 48 175.940 175.815 0.125 1
1 640 . 19 1 1 A 48 48 PRO CA C 48 62.410 63.508 -1.098 1
1 641 . 19 1 1 A 48 48 PRO CB C 48 31.770 32.167 -0.397 1
1 644 . 19 1 1 A 49 49 VAL H H 49 7.458 7.328 0.130 1
1 645 . 19 1 1 A 49 49 VAL HA H 49 4.178 4.470 -0.292 1
1 653 . 19 1 1 A 49 49 VAL C C 49 174.070 174.221 -0.151 1
1 654 . 19 1 1 A 49 49 VAL CA C 49 60.840 59.764 1.076 1
1 655 . 19 1 1 A 49 49 VAL CB C 49 34.134 34.554 -0.420 1
1 658 . 19 1 1 A 49 49 VAL N N 49 114.800 119.824 -5.024 1
1 659 . 19 1 1 A 50 50 ASN H H 50 8.897 9.225 -0.328 1
1 660 . 19 1 1 A 50 50 ASN HA H 50 4.684 5.489 -0.805 1
1 665 . 19 1 1 A 50 50 ASN C C 50 173.550 174.562 -1.012 1
1 666 . 19 1 1 A 50 50 ASN CA C 50 51.610 52.039 -0.429 1
1 667 . 19 1 1 A 50 50 ASN CB C 50 39.730 39.119 0.611 1
1 668 . 19 1 1 A 50 50 ASN N N 50 126.400 126.745 -0.345 1
1 670 . 19 1 1 A 51 51 VAL H H 51 7.587 8.644 -1.057 1
1 671 . 19 1 1 A 51 51 VAL HA H 51 4.148 4.700 -0.552 1
1 679 . 19 1 1 A 51 51 VAL C C 51 174.350 175.710 -1.360 1
1 680 . 19 1 1 A 51 51 VAL CA C 51 61.280 60.210 1.070 1
1 681 . 19 1 1 A 51 51 VAL CB C 51 35.206 34.103 1.103 1
1 684 . 19 1 1 A 51 51 VAL N N 51 122.670 120.489 2.181 1
1 685 . 19 1 1 A 52 52 GLN H H 52 8.337 8.756 -0.419 1
1 686 . 19 1 1 A 52 52 GLN HA H 52 4.094 4.701 -0.607 1
1 693 . 19 1 1 A 52 52 GLN C C 52 176.240 174.847 1.393 1
1 694 . 19 1 1 A 52 52 GLN CA C 52 56.560 55.519 1.041 1
1 695 . 19 1 1 A 52 52 GLN CB C 52 29.745 29.904 -0.159 1
1 697 . 19 1 1 A 52 52 GLN N N 52 122.670 120.432 2.238 1
1 699 . 19 1 1 A 53 53 LYS H H 53 7.363 7.539 -0.176 1
1 700 . 19 1 1 A 53 53 LYS HA H 53 3.994 4.995 -1.001 1
1 709 . 19 1 1 A 53 53 LYS C C 53 176.010 174.697 1.313 1
1 710 . 19 1 1 A 53 53 LYS CA C 53 56.960 55.049 1.911 1
1 711 . 19 1 1 A 53 53 LYS CB C 53 33.000 34.915 -1.915 1
1 715 . 19 1 1 A 53 53 LYS N N 53 119.940 121.697 -1.757 1
1 716 . 19 1 1 A 54 54 MET H H 54 8.797 8.893 -0.096 1
1 717 . 19 1 1 A 54 54 MET HA H 54 4.449 5.121 -0.672 1
1 725 . 19 1 1 A 54 54 MET C C 54 174.630 175.482 -0.852 1
1 726 . 19 1 1 A 54 54 MET CA C 54 54.530 53.428 1.102 1
1 727 . 19 1 1 A 54 54 MET CB C 54 36.912 34.949 1.963 1
1 730 . 19 1 1 A 54 54 MET N N 54 124.720 124.992 -0.272 1
1 731 . 19 1 1 A 55 55 GLU H H 55 9.773 8.508 1.265 1
1 732 . 19 1 1 A 55 55 GLU HA H 55 4.029 4.488 -0.459 1
1 737 . 19 1 1 A 55 55 GLU C C 55 176.930 176.907 0.023 1
1 738 . 19 1 1 A 55 55 GLU CA C 55 59.910 57.932 1.978 1
1 739 . 19 1 1 A 55 55 GLU CB C 55 29.611 31.321 -1.710 1
1 741 . 19 1 1 A 55 55 GLU N N 55 124.250 121.874 2.376 1
1 742 . 19 1 1 A 56 56 ASN H H 56 8.371 7.766 0.605 1
1 743 . 19 1 1 A 56 56 ASN HA H 56 5.163 5.106 0.057 1
1 748 . 19 1 1 A 56 56 ASN CA C 56 50.680 50.317 0.363 1
1 749 . 19 1 1 A 56 56 ASN CB C 56 39.563 38.930 0.633 1
1 750 . 19 1 1 A 56 56 ASN N N 56 115.600 118.020 -2.420 1
1 752 . 19 1 1 A 57 57 PRO HA H 57 4.854 4.956 -0.102 1
1 759 . 19 1 1 A 57 57 PRO C C 57 178.760 176.262 2.498 1
1 760 . 19 1 1 A 57 57 PRO CA C 57 62.630 62.743 -0.113 1
1 761 . 19 1 1 A 57 57 PRO CB C 57 32.197 32.448 -0.251 1
1 764 . 19 1 1 A 58 58 ARG H H 58 9.448 8.774 0.674 1
1 765 . 19 1 1 A 58 58 ARG HA H 58 4.636 4.735 -0.099 1
1 773 . 19 1 1 A 58 58 ARG C C 58 175.430 175.754 -0.324 1
1 774 . 19 1 1 A 58 58 ARG CA C 58 54.210 54.507 -0.297 1
1 775 . 19 1 1 A 58 58 ARG CB C 58 34.208 34.483 -0.275 1
1 778 . 19 1 1 A 58 58 ARG N N 58 122.690 122.145 0.545 1
1 780 . 19 1 1 A 59 59 GLU H H 59 8.694 8.804 -0.110 1
1 781 . 19 1 1 A 59 59 GLU HA H 59 4.096 4.547 -0.451 1
1 786 . 19 1 1 A 59 59 GLU C C 59 175.210 176.050 -0.840 1
1 787 . 19 1 1 A 59 59 GLU CA C 59 56.470 56.892 -0.422 1
1 788 . 19 1 1 A 59 59 GLU CB C 59 31.074 30.581 0.493 1
1 790 . 19 1 1 A 59 59 GLU N N 59 119.520 121.056 -1.536 1
1 791 . 19 1 1 A 60 60 VAL H H 60 7.296 7.469 -0.173 1
1 792 . 19 1 1 A 60 60 VAL HA H 60 4.471 4.538 -0.067 1
1 800 . 19 1 1 A 60 60 VAL C C 60 174.900 173.496 1.404 1
1 801 . 19 1 1 A 60 60 VAL CA C 60 61.058 60.098 0.960 1
1 802 . 19 1 1 A 60 60 VAL CB C 60 35.056 34.806 0.250 1
1 805 . 19 1 1 A 60 60 VAL N N 60 117.380 117.045 0.335 1
1 806 . 19 1 1 A 61 61 VAL H H 61 8.064 8.414 -0.350 1
1 807 . 19 1 1 A 61 61 VAL HA H 61 4.540 4.929 -0.389 1
1 815 . 19 1 1 A 61 61 VAL C C 61 172.880 174.810 -1.930 1
1 816 . 19 1 1 A 61 61 VAL CA C 61 58.820 58.876 -0.056 1
1 817 . 19 1 1 A 61 61 VAL CB C 61 33.464 35.792 -2.328 1
1 820 . 19 1 1 A 61 61 VAL N N 61 117.630 120.005 -2.375 1
1 821 . 19 1 1 A 62 62 GLU H H 62 8.620 8.741 -0.121 1
1 822 . 19 1 1 A 62 62 GLU HA H 62 4.543 4.615 -0.072 1
1 827 . 19 1 1 A 62 62 GLU C C 62 176.350 177.520 -1.170 1
1 828 . 19 1 1 A 62 62 GLU CA C 62 53.640 54.584 -0.944 1
1 829 . 19 1 1 A 62 62 GLU CB C 62 32.360 31.935 0.425 1
1 831 . 19 1 1 A 62 62 GLU N N 62 118.060 119.863 -1.803 1
1 832 . 19 1 1 A 63 63 ILE H H 63 8.520 8.548 -0.028 1
1 833 . 19 1 1 A 63 63 ILE HA H 63 3.275 4.117 -0.842 1
1 843 . 19 1 1 A 63 63 ILE C C 63 177.940 176.625 1.315 1
1 844 . 19 1 1 A 63 63 ILE CA C 63 64.410 63.117 1.293 1
1 845 . 19 1 1 A 63 63 ILE CB C 63 37.674 37.767 -0.093 1
1 849 . 19 1 1 A 63 63 ILE N N 63 120.310 121.106 -0.796 1
1 850 . 19 1 1 A 64 64 GLY H H 64 9.091 7.893 1.198 1
1 851 . 19 1 1 A 64 64 GLY HA2 H 64 3.563 4.160 -0.597 1
1 852 . 19 1 1 A 64 64 GLY HA3 H 64 4.774 4.200 0.574 1
1 853 . 19 1 1 A 64 64 GLY C C 64 173.290 173.003 0.287 1
1 854 . 19 1 1 A 64 64 GLY CA C 64 45.359 45.707 -0.348 1
1 855 . 19 1 1 A 64 64 GLY N N 64 116.340 109.763 6.577 1
1 856 . 19 1 1 A 65 65 ASP H H 65 8.335 7.856 0.479 1
1 857 . 19 1 1 A 65 65 ASP HA H 65 4.914 5.202 -0.288 1
1 860 . 19 1 1 A 65 65 ASP C C 65 175.180 174.961 0.219 1
1 861 . 19 1 1 A 65 65 ASP CA C 65 56.630 52.888 3.742 1
1 862 . 19 1 1 A 65 65 ASP CB C 65 41.980 43.897 -1.917 1
1 863 . 19 1 1 A 65 65 ASP N N 65 121.610 118.903 2.707 1
1 864 . 19 1 1 A 66 66 VAL H H 66 7.580 8.157 -0.577 1
1 865 . 19 1 1 A 66 66 VAL HA H 66 5.085 5.253 -0.168 1
1 873 . 19 1 1 A 66 66 VAL C C 66 176.170 175.512 0.658 1
1 874 . 19 1 1 A 66 66 VAL CA C 66 60.240 60.540 -0.300 1
1 875 . 19 1 1 A 66 66 VAL CB C 66 33.783 35.496 -1.713 1
1 878 . 19 1 1 A 66 66 VAL N N 66 117.330 120.178 -2.848 1
1 879 . 19 1 1 A 67 67 GLY H H 67 9.592 8.867 0.725 1
1 880 . 19 1 1 A 67 67 GLY HA2 H 67 5.899 4.546 1.353 1
1 881 . 19 1 1 A 67 67 GLY HA3 H 67 3.200 4.699 -1.499 1
1 882 . 19 1 1 A 67 67 GLY C C 67 171.740 172.484 -0.744 1
1 883 . 19 1 1 A 67 67 GLY CA C 67 43.580 45.474 -1.894 1
1 884 . 19 1 1 A 67 67 GLY N N 67 111.440 111.607 -0.167 1
1 885 . 19 1 1 A 68 68 TYR H H 68 9.146 9.126 0.020 1
1 886 . 19 1 1 A 68 68 TYR HA H 68 5.809 5.764 0.045 1
1 889 . 19 1 1 A 68 68 TYR C C 68 173.860 173.396 0.464 1
1 890 . 19 1 1 A 68 68 TYR CA C 68 55.900 55.705 0.195 1
1 891 . 19 1 1 A 68 68 TYR CB C 68 42.170 41.649 0.521 1
1 892 . 19 1 1 A 68 68 TYR N N 68 119.980 115.549 4.431 1
1 893 . 19 1 1 A 69 69 TRP H H 69 9.213 8.969 0.244 1
1 894 . 19 1 1 A 69 69 TRP HA H 69 5.268 4.826 0.442 1
1 902 . 19 1 1 A 69 69 TRP CA C 69 53.390 55.258 -1.868 1
1 903 . 19 1 1 A 69 69 TRP CB C 69 30.442 30.522 -0.080 1
1 908 . 19 1 1 A 69 69 TRP N N 69 132.150 126.310 5.840 1
1 910 . 19 1 1 A 70 70 PRO HA H 70 3.923 4.212 -0.289 1
1 917 . 19 1 1 A 70 70 PRO CA C 70 66.753 64.350 2.403 1
1 918 . 19 1 1 A 70 70 PRO CB C 70 30.054 31.763 -1.709 1
1 921 . 19 1 1 A 71 71 PRO HA H 71 3.716 4.099 -0.383 1
1 928 . 19 1 1 A 71 71 PRO CA C 71 65.803 64.243 1.560 1
1 929 . 19 1 1 A 71 71 PRO CB C 71 30.620 31.180 -0.560 1
1 932 . 19 1 1 A 72 72 GLY HA2 H 72 3.168 3.603 -0.435 1
1 933 . 19 1 1 A 72 72 GLY HA3 H 72 4.271 3.699 0.572 1
1 934 . 19 1 1 A 72 72 GLY C C 72 173.220 173.324 -0.104 1
1 935 . 19 1 1 A 72 72 GLY CA C 72 44.350 44.925 -0.575 1
1 936 . 19 1 1 A 73 73 LYS H H 73 7.989 7.615 0.374 1
1 937 . 19 1 1 A 73 73 LYS HA H 73 3.566 3.763 -0.197 1
1 946 . 19 1 1 A 73 73 LYS C C 73 177.420 175.163 2.257 1
1 947 . 19 1 1 A 73 73 LYS CA C 73 57.790 56.919 0.871 1
1 948 . 19 1 1 A 73 73 LYS CB C 73 29.398 30.091 -0.693 1
1 952 . 19 1 1 A 73 73 LYS N N 73 121.515 116.189 5.326 1
1 953 . 19 1 1 A 74 74 ALA H H 74 6.969 7.380 -0.411 1
1 954 . 19 1 1 A 74 74 ALA HA H 74 5.123 5.060 0.063 1
1 958 . 19 1 1 A 74 74 ALA C C 74 177.490 175.682 1.808 1
1 959 . 19 1 1 A 74 74 ALA CA C 74 51.900 51.239 0.661 1
1 960 . 19 1 1 A 74 74 ALA CB C 74 23.090 23.396 -0.306 1
1 961 . 19 1 1 A 74 74 ALA N N 74 118.780 118.696 0.084 1
1 962 . 19 1 1 A 75 75 LEU H H 75 8.032 7.859 0.173 1
1 963 . 19 1 1 A 75 75 LEU HA H 75 4.844 4.649 0.195 1
1 973 . 19 1 1 A 75 75 LEU C C 75 175.540 175.388 0.152 1
1 974 . 19 1 1 A 75 75 LEU CA C 75 54.000 54.054 -0.054 1
1 975 . 19 1 1 A 75 75 LEU CB C 75 43.858 42.456 1.402 1
1 979 . 19 1 1 A 75 75 LEU N N 75 122.780 118.911 3.869 1
1 980 . 19 1 1 A 76 76 CYS H H 76 8.813 8.175 0.638 1
1 981 . 19 1 1 A 76 76 CYS HA H 76 5.178 5.299 -0.121 1
1 984 . 19 1 1 A 76 76 CYS C C 76 173.080 173.065 0.015 1
1 985 . 19 1 1 A 76 76 CYS CA C 76 55.850 58.011 -2.161 1
1 986 . 19 1 1 A 76 76 CYS CB C 76 31.922 30.951 0.971 1
1 987 . 19 1 1 A 76 76 CYS N N 76 117.950 118.484 -0.534 1
1 988 . 19 1 1 A 77 77 LEU H H 77 9.621 8.882 0.739 1
1 989 . 19 1 1 A 77 77 LEU HA H 77 4.741 4.925 -0.184 1
1 999 . 19 1 1 A 77 77 LEU C C 77 175.040 175.891 -0.851 1
1 1000 . 19 1 1 A 77 77 LEU CA C 77 53.510 53.433 0.077 1
1 1001 . 19 1 1 A 77 77 LEU CB C 77 44.058 42.797 1.261 1
1 1005 . 19 1 1 A 77 77 LEU N N 77 123.140 125.652 -2.512 1
1 1006 . 19 1 1 A 78 78 PHE H H 78 7.930 8.722 -0.792 1
1 1007 . 19 1 1 A 78 78 PHE HA H 78 4.809 4.835 -0.026 1
1 1015 . 19 1 1 A 78 78 PHE C C 78 174.830 176.537 -1.707 1
1 1016 . 19 1 1 A 78 78 PHE CA C 78 58.140 57.077 1.063 1
1 1017 . 19 1 1 A 78 78 PHE CB C 78 39.603 40.432 -0.829 1
1 1021 . 19 1 1 A 78 78 PHE N N 78 120.120 124.850 -4.730 1
1 1022 . 19 1 1 A 79 79 PHE H H 79 8.038 8.046 -0.008 1
1 1023 . 19 1 1 A 79 79 PHE HA H 79 5.029 5.086 -0.057 1
1 1031 . 19 1 1 A 79 79 PHE C C 79 172.070 175.573 -3.503 1
1 1032 . 19 1 1 A 79 79 PHE CA C 79 55.630 56.576 -0.946 1
1 1033 . 19 1 1 A 79 79 PHE CB C 79 39.003 40.107 -1.104 1
1 1037 . 19 1 1 A 79 79 PHE N N 79 119.040 118.293 0.747 1
1 1038 . 19 1 1 A 80 80 GLY H H 80 7.489 7.511 -0.022 1
1 1039 . 19 1 1 A 80 80 GLY HA2 H 80 3.653 4.135 -0.482 1
1 1040 . 19 1 1 A 80 80 GLY HA3 H 80 4.283 4.201 0.082 1
1 1041 . 19 1 1 A 80 80 GLY C C 80 170.830 171.495 -0.665 1
1 1042 . 19 1 1 A 80 80 GLY CA C 80 45.342 46.057 -0.715 1
1 1043 . 19 1 1 A 80 80 GLY N N 80 110.010 108.553 1.457 1
1 1044 . 19 1 1 A 81 81 LYS H H 81 8.186 7.951 0.235 1
1 1045 . 19 1 1 A 81 81 LYS HA H 81 4.003 4.662 -0.659 1
1 1054 . 19 1 1 A 81 81 LYS C C 81 177.530 174.173 3.357 1
1 1055 . 19 1 1 A 81 81 LYS CA C 81 57.730 55.586 2.144 1
1 1056 . 19 1 1 A 81 81 LYS CB C 81 33.293 36.029 -2.736 1
1 1060 . 19 1 1 A 81 81 LYS N N 81 117.260 120.175 -2.915 1
1 1061 . 19 1 1 A 82 82 THR H H 82 8.076 8.514 -0.438 1
1 1062 . 19 1 1 A 82 82 THR HA H 82 4.423 4.678 -0.255 1
1 1067 . 19 1 1 A 82 82 THR CA C 82 59.230 59.835 -0.605 1
1 1068 . 19 1 1 A 82 82 THR CB C 82 68.310 69.053 -0.743 1
1 1070 . 19 1 1 A 82 82 THR N N 82 113.611 115.816 -2.205 1
1 1071 . 19 1 1 A 83 83 PRO HA H 83 4.090 4.330 -0.240 1
1 1078 . 19 1 1 A 83 83 PRO CA C 83 63.743 63.910 -0.167 1
1 1079 . 19 1 1 A 83 83 PRO CB C 83 32.167 31.745 0.422 1
1 1082 . 19 1 1 A 84 84 MET HA H 84 4.220 4.237 -0.017 1
1 1090 . 19 1 1 A 84 84 MET C C 84 175.920 176.915 -0.995 1
1 1091 . 19 1 1 A 84 84 MET CA C 84 55.880 58.324 -2.444 1
1 1092 . 19 1 1 A 84 84 MET CB C 84 33.070 32.250 0.820 1
1 1095 . 19 1 1 A 85 85 SER H H 85 7.256 7.614 -0.358 1
1 1096 . 19 1 1 A 85 85 SER HA H 85 4.401 4.471 -0.070 1
1 1099 . 19 1 1 A 85 85 SER C C 85 173.380 173.615 -0.235 1
1 1100 . 19 1 1 A 85 85 SER CA C 85 58.230 58.092 0.138 1
1 1101 . 19 1 1 A 85 85 SER CB C 85 64.290 64.187 0.103 1
1 1102 . 19 1 1 A 85 85 SER N N 85 111.370 115.028 -3.658 1
1 1103 . 19 1 1 A 86 86 ASP H H 86 8.517 8.927 -0.410 1
1 1104 . 19 1 1 A 86 86 ASP HA H 86 4.692 4.745 -0.053 1
1 1107 . 19 1 1 A 86 86 ASP C C 86 175.860 177.265 -1.405 1
1 1108 . 19 1 1 A 86 86 ASP CA C 86 54.150 55.583 -1.433 1
1 1109 . 19 1 1 A 86 86 ASP CB C 86 41.360 43.278 -1.918 1
1 1110 . 19 1 1 A 86 86 ASP N N 86 123.320 121.731 1.589 1
1 1111 . 19 1 1 A 87 87 ASP H H 87 8.412 8.437 -0.025 1
1 1112 . 19 1 1 A 87 87 ASP HA H 87 4.529 4.578 -0.049 1
1 1115 . 19 1 1 A 87 87 ASP C C 87 175.270 176.704 -1.434 1
1 1116 . 19 1 1 A 87 87 ASP CA C 87 54.870 56.329 -1.459 1
1 1117 . 19 1 1 A 87 87 ASP CB C 87 41.580 41.825 -0.245 1
1 1118 . 19 1 1 A 87 87 ASP N N 87 118.900 118.904 -0.004 1
1 1119 . 19 1 1 A 88 88 LYS H H 88 7.869 7.559 0.310 1
1 1120 . 19 1 1 A 88 88 LYS HA H 88 4.372 4.694 -0.322 1
1 1129 . 19 1 1 A 88 88 LYS C C 88 174.870 175.118 -0.248 1
1 1130 . 19 1 1 A 88 88 LYS CA C 88 54.580 54.335 0.245 1
1 1131 . 19 1 1 A 88 88 LYS CB C 88 34.047 35.552 -1.505 1
1 1135 . 19 1 1 A 88 88 LYS N N 88 118.310 112.991 5.319 1
1 1136 . 19 1 1 A 89 89 ILE H H 89 8.604 8.864 -0.260 1
1 1137 . 19 1 1 A 89 89 ILE HA H 89 3.873 4.203 -0.330 1
1 1147 . 19 1 1 A 89 89 ILE C C 89 174.480 174.965 -0.485 1
1 1148 . 19 1 1 A 89 89 ILE CA C 89 61.890 60.973 0.917 1
1 1149 . 19 1 1 A 89 89 ILE CB C 89 36.398 36.658 -0.260 1
1 1153 . 19 1 1 A 89 89 ILE N N 89 121.510 121.060 0.450 1
1 1154 . 19 1 1 A 90 90 GLN H H 90 8.015 8.206 -0.191 1
1 1155 . 19 1 1 A 90 90 GLN HA H 90 5.033 4.662 0.371 1
1 1162 . 19 1 1 A 90 90 GLN CA C 90 52.110 53.584 -1.474 1
1 1163 . 19 1 1 A 90 90 GLN CB C 90 32.045 28.269 3.776 1
1 1165 . 19 1 1 A 90 90 GLN N N 90 126.430 125.136 1.294 1
1 1167 . 19 1 1 A 91 91 PRO HA H 91 4.508 4.843 -0.335 1
1 1174 . 19 1 1 A 91 91 PRO C C 91 175.210 176.865 -1.655 1
1 1175 . 19 1 1 A 91 91 PRO CA C 91 61.680 62.493 -0.813 1
1 1176 . 19 1 1 A 91 91 PRO CB C 91 32.854 33.237 -0.383 1
1 1179 . 19 1 1 A 92 92 ALA H H 92 8.014 8.378 -0.364 1
1 1180 . 19 1 1 A 92 92 ALA HA H 92 3.931 4.227 -0.296 1
1 1184 . 19 1 1 A 92 92 ALA CA C 92 55.270 53.820 1.450 1
1 1185 . 19 1 1 A 92 92 ALA CB C 92 18.838 19.148 -0.310 1
1 1186 . 19 1 1 A 92 92 ALA N N 92 121.420 121.473 -0.053 1
1 1187 . 19 1 1 A 93 93 SER H H 93 7.391 7.698 -0.307 1
1 1188 . 19 1 1 A 93 93 SER HA H 93 4.223 4.610 -0.387 1
1 1191 . 19 1 1 A 93 93 SER C C 93 171.670 172.444 -0.774 1
1 1192 . 19 1 1 A 93 93 SER CA C 93 57.240 56.921 0.319 1
1 1193 . 19 1 1 A 93 93 SER CB C 93 63.620 64.767 -1.147 1
1 1194 . 19 1 1 A 93 93 SER N N 93 105.210 111.429 -6.219 1
1 1195 . 19 1 1 A 94 94 ALA H H 94 8.276 8.608 -0.332 1
1 1196 . 19 1 1 A 94 94 ALA HA H 94 4.113 4.701 -0.588 1
1 1200 . 19 1 1 A 94 94 ALA C C 94 177.150 177.299 -0.149 1
1 1201 . 19 1 1 A 94 94 ALA CA C 94 53.810 51.779 2.031 1
1 1202 . 19 1 1 A 94 94 ALA CB C 94 19.219 18.606 0.613 1
1 1203 . 19 1 1 A 94 94 ALA N N 94 117.972 125.590 -7.618 1
1 1204 . 19 1 1 A 95 95 VAL H H 95 7.886 8.240 -0.354 1
1 1205 . 19 1 1 A 95 95 VAL HA H 95 5.037 4.369 0.668 1
1 1213 . 19 1 1 A 95 95 VAL C C 95 174.060 176.004 -1.944 1
1 1214 . 19 1 1 A 95 95 VAL CA C 95 57.510 63.116 -5.606 1
1 1215 . 19 1 1 A 95 95 VAL CB C 95 35.106 32.139 2.967 1
1 1218 . 19 1 1 A 95 95 VAL N N 95 108.410 123.976 -15.566 1
1 1219 . 19 1 1 A 96 96 ASN H H 96 9.178 8.935 0.243 1
1 1220 . 19 1 1 A 96 96 ASN HA H 96 4.897 5.264 -0.367 1
1 1225 . 19 1 1 A 96 96 ASN C C 96 176.600 173.388 3.212 1
1 1226 . 19 1 1 A 96 96 ASN CA C 96 50.790 52.427 -1.637 1
1 1227 . 19 1 1 A 96 96 ASN CB C 96 39.637 41.656 -2.019 1
1 1228 . 19 1 1 A 96 96 ASN N N 96 121.250 121.639 -0.389 1
1 1230 . 19 1 1 A 97 97 VAL H H 97 8.503 8.585 -0.082 1
1 1231 . 19 1 1 A 97 97 VAL HA H 97 4.421 4.178 0.243 1
1 1239 . 19 1 1 A 97 97 VAL C C 97 176.450 176.761 -0.311 1
1 1240 . 19 1 1 A 97 97 VAL CA C 97 66.030 62.665 3.365 1
1 1241 . 19 1 1 A 97 97 VAL CB C 97 30.552 30.263 0.289 1
1 1244 . 19 1 1 A 97 97 VAL N N 97 129.670 125.698 3.972 1
1 1245 . 19 1 1 A 98 98 ILE H H 98 8.129 7.848 0.281 1
1 1246 . 19 1 1 A 98 98 ILE HA H 98 4.628 3.649 0.979 1
1 1256 . 19 1 1 A 98 98 ILE C C 98 174.270 176.932 -2.662 1
1 1257 . 19 1 1 A 98 98 ILE CA C 98 61.240 64.669 -3.429 1
1 1258 . 19 1 1 A 98 98 ILE CB C 98 39.812 37.656 2.156 1
1 1262 . 19 1 1 A 98 98 ILE N N 98 119.500 124.057 -4.557 1
1 1263 . 19 1 1 A 99 99 GLY H H 99 7.668 7.844 -0.176 1
1 1264 . 19 1 1 A 99 99 GLY HA2 H 99 4.435 4.131 0.304 1
1 1265 . 19 1 1 A 99 99 GLY HA3 H 99 4.637 4.138 0.499 1
1 1266 . 19 1 1 A 99 99 GLY C C 99 172.410 172.303 0.107 1
1 1267 . 19 1 1 A 99 99 GLY CA C 99 46.906 44.623 2.283 1
1 1268 . 19 1 1 A 99 99 GLY N N 99 107.230 110.502 -3.272 1
1 1269 . 19 1 1 A 100 100 LYS H H 100 8.347 8.251 0.096 1
1 1270 . 19 1 1 A 100 100 LYS HA H 100 5.540 5.074 0.466 1
1 1279 . 19 1 1 A 100 100 LYS C C 100 175.740 174.901 0.839 1
1 1280 . 19 1 1 A 100 100 LYS CA C 100 54.150 54.949 -0.799 1
1 1281 . 19 1 1 A 100 100 LYS CB C 100 37.900 36.172 1.728 1
1 1285 . 19 1 1 A 100 100 LYS N N 100 119.730 120.684 -0.954 1
1 1286 . 19 1 1 A 101 101 ILE H H 101 9.542 8.824 0.718 1
1 1287 . 19 1 1 A 101 101 ILE HA H 101 4.184 4.229 -0.045 1
1 1297 . 19 1 1 A 101 101 ILE C C 101 176.010 177.275 -1.265 1
1 1298 . 19 1 1 A 101 101 ILE CA C 101 62.940 61.730 1.210 1
1 1299 . 19 1 1 A 101 101 ILE CB C 101 39.212 37.080 2.132 1
1 1303 . 19 1 1 A 101 101 ILE N N 101 124.050 127.369 -3.319 1
1 1304 . 19 1 1 A 102 102 VAL H H 102 8.728 8.469 0.259 1
1 1305 . 19 1 1 A 102 102 VAL HA H 102 4.591 4.244 0.347 1
1 1313 . 19 1 1 A 102 102 VAL C C 102 175.730 176.021 -0.291 1
1 1314 . 19 1 1 A 102 102 VAL CA C 102 62.030 63.491 -1.461 1
1 1315 . 19 1 1 A 102 102 VAL CB C 102 33.307 32.444 0.863 1
1 1318 . 19 1 1 A 102 102 VAL N N 102 121.420 124.260 -2.840 1
1 1319 . 19 1 1 A 103 103 GLU H H 103 7.912 7.890 0.022 1
1 1320 . 19 1 1 A 103 103 GLU HA H 103 4.661 4.571 0.090 1
1 1325 . 19 1 1 A 103 103 GLU C C 103 176.520 176.147 0.373 1
1 1326 . 19 1 1 A 103 103 GLU CA C 103 56.550 55.273 1.277 1
1 1327 . 19 1 1 A 103 103 GLU CB C 103 34.180 33.222 0.958 1
1 1329 . 19 1 1 A 103 103 GLU N N 103 120.750 120.262 0.488 1
1 1330 . 19 1 1 A 104 104 GLY H H 104 8.934 8.797 0.137 1
1 1331 . 19 1 1 A 104 104 GLY HA2 H 104 3.932 3.936 -0.004 1
1 1332 . 19 1 1 A 104 104 GLY HA3 H 104 4.345 3.961 0.384 1
1 1333 . 19 1 1 A 104 104 GLY C C 104 175.230 174.800 0.430 1
1 1334 . 19 1 1 A 104 104 GLY CA C 104 46.616 46.791 -0.175 1
1 1335 . 19 1 1 A 104 104 GLY N N 104 111.140 111.439 -0.299 1
1 1336 . 19 1 1 A 105 105 LEU H H 105 8.158 7.900 0.258 1
1 1337 . 19 1 1 A 105 105 LEU HA H 105 3.702 4.095 -0.393 1
1 1347 . 19 1 1 A 105 105 LEU C C 105 179.250 178.640 0.610 1
1 1348 . 19 1 1 A 105 105 LEU CA C 105 59.400 57.523 1.877 1
1 1349 . 19 1 1 A 105 105 LEU CB C 105 42.743 42.252 0.491 1
1 1353 . 19 1 1 A 105 105 LEU N N 105 121.390 121.580 -0.190 1
1 1354 . 19 1 1 A 106 106 GLU H H 106 8.944 8.256 0.688 1
1 1355 . 19 1 1 A 106 106 GLU HA H 106 3.978 4.002 -0.024 1
1 1360 . 19 1 1 A 106 106 GLU C C 106 178.120 178.732 -0.612 1
1 1361 . 19 1 1 A 106 106 GLU CA C 106 58.720 59.570 -0.850 1
1 1362 . 19 1 1 A 106 106 GLU CB C 106 28.920 29.067 -0.147 1
1 1364 . 19 1 1 A 106 106 GLU N N 106 113.860 118.144 -4.284 1
1 1365 . 19 1 1 A 107 107 ASP H H 107 7.538 8.111 -0.573 1
1 1366 . 19 1 1 A 107 107 ASP HA H 107 4.344 4.358 -0.014 1
1 1369 . 19 1 1 A 107 107 ASP C C 107 178.190 177.283 0.907 1
1 1370 . 19 1 1 A 107 107 ASP CA C 107 55.780 56.326 -0.546 1
1 1371 . 19 1 1 A 107 107 ASP CB C 107 41.191 40.691 0.500 1
1 1372 . 19 1 1 A 107 107 ASP N N 107 119.620 119.540 0.080 1
1 1373 . 19 1 1 A 108 108 LEU H H 108 7.115 7.157 -0.042 1
1 1374 . 19 1 1 A 108 108 LEU HA H 108 3.357 3.748 -0.391 1
1 1384 . 19 1 1 A 108 108 LEU C C 108 177.920 179.172 -1.252 1
1 1385 . 19 1 1 A 108 108 LEU CA C 108 57.000 56.188 0.812 1
1 1386 . 19 1 1 A 108 108 LEU CB C 108 38.445 40.881 -2.436 1
1 1390 . 19 1 1 A 108 108 LEU N N 108 117.551 116.580 0.971 1
1 1391 . 19 1 1 A 109 109 LYS H H 109 7.179 7.731 -0.552 1
1 1392 . 19 1 1 A 109 109 LYS HA H 109 3.879 4.305 -0.426 1
1 1401 . 19 1 1 A 109 109 LYS C C 109 176.650 178.284 -1.634 1
1 1402 . 19 1 1 A 109 109 LYS CA C 109 57.792 58.957 -1.165 1
1 1403 . 19 1 1 A 109 109 LYS CB C 109 32.184 32.107 0.077 1
1 1407 . 19 1 1 A 109 109 LYS N N 109 115.080 119.295 -4.215 1
1 1408 . 19 1 1 A 110 110 LYS H H 110 7.364 8.013 -0.649 1
1 1409 . 19 1 1 A 110 110 LYS HA H 110 4.016 4.355 -0.339 1
1 1418 . 19 1 1 A 110 110 LYS C C 110 175.890 175.995 -0.105 1
1 1419 . 19 1 1 A 110 110 LYS CA C 110 56.550 57.086 -0.536 1
1 1420 . 19 1 1 A 110 110 LYS CB C 110 32.972 32.112 0.860 1
1 1424 . 19 1 1 A 110 110 LYS N N 110 116.720 114.118 2.602 1
1 1425 . 19 1 1 A 111 111 ILE H H 111 6.626 7.423 -0.797 1
1 1426 . 19 1 1 A 111 111 ILE HA H 111 3.531 4.282 -0.751 1
1 1436 . 19 1 1 A 111 111 ILE C C 111 176.180 175.807 0.373 1
1 1437 . 19 1 1 A 111 111 ILE CA C 111 59.950 60.775 -0.825 1
1 1438 . 19 1 1 A 111 111 ILE CB C 111 34.946 39.053 -4.107 1
1 1442 . 19 1 1 A 111 111 ILE N N 111 117.000 121.668 -4.668 1
1 1443 . 19 1 1 A 112 112 LYS H H 112 8.388 8.946 -0.558 1
1 1444 . 19 1 1 A 112 112 LYS HA H 112 4.356 4.547 -0.191 1
1 1453 . 19 1 1 A 112 112 LYS C C 112 175.750 177.971 -2.221 1
1 1454 . 19 1 1 A 112 112 LYS CA C 112 54.430 55.272 -0.842 1
1 1455 . 19 1 1 A 112 112 LYS CB C 112 33.936 33.507 0.429 1
1 1459 . 19 1 1 A 112 112 LYS N N 112 128.240 124.892 3.348 1
1 1460 . 19 1 1 A 113 113 ASP H H 113 8.103 8.767 -0.664 1
1 1461 . 19 1 1 A 113 113 ASP HA H 113 4.026 4.936 -0.910 1
1 1464 . 19 1 1 A 113 113 ASP C C 113 177.630 176.079 1.551 1
1 1465 . 19 1 1 A 113 113 ASP CA C 113 56.660 54.437 2.223 1
1 1466 . 19 1 1 A 113 113 ASP CB C 113 42.033 40.995 1.038 1
1 1467 . 19 1 1 A 113 113 ASP N N 113 119.040 120.735 -1.695 1
1 1468 . 19 1 1 A 114 114 GLY H H 114 8.635 7.386 1.249 1
1 1469 . 19 1 1 A 114 114 GLY HA2 H 114 3.547 4.070 -0.523 1
1 1470 . 19 1 1 A 114 114 GLY HA3 H 114 4.229 4.072 0.157 1
1 1471 . 19 1 1 A 114 114 GLY C C 114 174.640 173.666 0.974 1
1 1472 . 19 1 1 A 114 114 GLY CA C 114 45.403 45.609 -0.206 1
1 1473 . 19 1 1 A 114 114 GLY N N 114 113.170 105.935 7.235 1
1 1474 . 19 1 1 A 115 115 GLU H H 115 7.346 8.672 -1.326 1
1 1475 . 19 1 1 A 115 115 GLU HA H 115 4.113 4.616 -0.503 1
1 1480 . 19 1 1 A 115 115 GLU C C 115 175.840 175.881 -0.041 1
1 1481 . 19 1 1 A 115 115 GLU CA C 115 58.180 55.387 2.793 1
1 1482 . 19 1 1 A 115 115 GLU CB C 115 30.902 30.612 0.290 1
1 1484 . 19 1 1 A 115 115 GLU N N 115 119.440 122.618 -3.178 1
1 1485 . 19 1 1 A 116 116 LYS H H 116 9.107 7.969 1.138 1
1 1486 . 19 1 1 A 116 116 LYS HA H 116 4.529 4.133 0.396 1
1 1495 . 19 1 1 A 116 116 LYS C C 116 176.050 176.507 -0.457 1
1 1496 . 19 1 1 A 116 116 LYS CA C 116 56.820 57.002 -0.182 1
1 1497 . 19 1 1 A 116 116 LYS CB C 116 33.358 30.988 2.370 1
1 1501 . 19 1 1 A 116 116 LYS N N 116 121.800 118.047 3.753 1
1 1502 . 19 1 1 A 117 117 VAL H H 117 7.860 7.687 0.173 1
1 1503 . 19 1 1 A 117 117 VAL HA H 117 4.668 4.013 0.655 1
1 1511 . 19 1 1 A 117 117 VAL C C 117 171.630 174.837 -3.207 1
1 1512 . 19 1 1 A 117 117 VAL CA C 117 57.440 62.316 -4.876 1
1 1513 . 19 1 1 A 117 117 VAL CB C 117 34.614 32.606 2.008 1
1 1516 . 19 1 1 A 117 117 VAL N N 117 118.940 122.323 -3.383 1
1 1517 . 19 1 1 A 118 118 ALA H H 118 8.310 8.780 -0.470 1
1 1518 . 19 1 1 A 118 118 ALA HA H 118 4.506 4.586 -0.080 1
1 1522 . 19 1 1 A 118 118 ALA C C 118 174.660 175.644 -0.984 1
1 1523 . 19 1 1 A 118 118 ALA CA C 118 50.370 50.353 0.017 1
1 1524 . 19 1 1 A 118 118 ALA CB C 118 20.250 20.222 0.028 1
1 1525 . 19 1 1 A 118 118 ALA N N 118 130.190 130.568 -0.378 1
1 1526 . 19 1 1 A 119 119 VAL H H 119 8.295 8.766 -0.471 1
1 1527 . 19 1 1 A 119 119 VAL HA H 119 4.096 4.084 0.012 1
1 1535 . 19 1 1 A 119 119 VAL C C 119 175.320 176.018 -0.698 1
1 1536 . 19 1 1 A 119 119 VAL CA C 119 61.570 61.502 0.068 1
1 1537 . 19 1 1 A 119 119 VAL CB C 119 31.445 30.671 0.774 1
1 1540 . 19 1 1 A 119 119 VAL N N 119 123.160 123.696 -0.536 1
1 1541 . 19 1 1 A 120 120 ARG H H 120 8.596 8.871 -0.275 1
1 1542 . 19 1 1 A 120 120 ARG HA H 120 4.534 4.576 -0.042 1
1 1550 . 19 1 1 A 120 120 ARG C C 120 175.260 176.327 -1.067 1
1 1551 . 19 1 1 A 120 120 ARG CA C 120 53.740 53.533 0.207 1
1 1552 . 19 1 1 A 120 120 ARG CB C 120 34.359 33.890 0.469 1
1 1555 . 19 1 1 A 120 120 ARG N N 120 123.692 127.302 -3.610 1
1 1557 . 19 1 1 A 121 121 PHE H H 121 8.585 8.822 -0.237 1
1 1558 . 19 1 1 A 121 121 PHE HA H 121 4.591 4.368 0.223 1
1 1566 . 19 1 1 A 121 121 PHE C C 121 176.430 175.818 0.612 1
1 1567 . 19 1 1 A 121 121 PHE CA C 121 60.370 57.879 2.491 1
1 1568 . 19 1 1 A 121 121 PHE CB C 121 38.713 39.265 -0.552 1
1 1572 . 19 1 1 A 121 121 PHE N N 121 120.110 120.777 -0.667 1
1 1573 . 19 1 1 A 122 122 ALA H H 122 7.896 7.907 -0.011 1
1 1574 . 19 1 1 A 122 122 ALA HA H 122 4.304 4.113 0.191 1
1 1578 . 19 1 1 A 122 122 ALA C C 122 177.430 176.420 1.010 1
1 1579 . 19 1 1 A 122 122 ALA CA C 122 52.050 54.460 -2.410 1
1 1580 . 19 1 1 A 122 122 ALA CB C 122 19.865 18.013 1.852 1
1 1581 . 19 1 1 A 122 122 ALA N N 122 123.820 122.512 1.308 1
1 1582 . 19 1 1 A 123 123 SER H H 123 8.675 8.904 -0.229 1
1 1583 . 19 1 1 A 123 123 SER HA H 123 4.372 4.807 -0.435 1
1 1586 . 19 1 1 A 123 123 SER C C 123 173.630 173.589 0.041 1
1 1587 . 19 1 1 A 123 123 SER CA C 123 58.750 57.543 1.207 1
1 1588 . 19 1 1 A 123 123 SER CB C 123 63.870 64.404 -0.534 1
1 1589 . 19 1 1 A 123 123 SER N N 123 117.330 115.452 1.878 1
1 14 . 20 1 1 A 2 2 ARG H H 2 9.247 8.459 0.788 1
1 15 . 20 1 1 A 2 2 ARG HA H 2 5.249 4.489 0.760 1
1 23 . 20 1 1 A 2 2 ARG C C 2 176.020 175.418 0.602 1
1 24 . 20 1 1 A 2 2 ARG CA C 2 56.360 57.007 -0.647 1
1 25 . 20 1 1 A 2 2 ARG CB C 2 31.953 31.387 0.566 1
1 28 . 20 1 1 A 2 2 ARG N N 2 129.420 125.978 3.442 1
1 30 . 20 1 1 A 3 3 VAL H H 3 9.361 8.368 0.993 1
1 31 . 20 1 1 A 3 3 VAL HA H 3 4.464 4.965 -0.501 1
1 39 . 20 1 1 A 3 3 VAL C C 3 173.160 174.020 -0.860 1
1 40 . 20 1 1 A 3 3 VAL CA C 3 61.330 60.609 0.721 1
1 41 . 20 1 1 A 3 3 VAL CB C 3 36.251 36.022 0.229 1
1 44 . 20 1 1 A 3 3 VAL N N 3 126.750 120.645 6.105 1
1 45 . 20 1 1 A 4 4 GLU H H 4 9.294 9.402 -0.108 1
1 46 . 20 1 1 A 4 4 GLU HA H 4 4.807 5.319 -0.512 1
1 51 . 20 1 1 A 4 4 GLU C C 4 173.020 174.770 -1.750 1
1 52 . 20 1 1 A 4 4 GLU CA C 4 54.890 54.305 0.585 1
1 53 . 20 1 1 A 4 4 GLU CB C 4 33.146 32.515 0.631 1
1 55 . 20 1 1 A 4 4 GLU N N 4 128.550 127.859 0.691 1
1 56 . 20 1 1 A 5 5 LEU H H 5 8.685 8.676 0.009 1
1 57 . 20 1 1 A 5 5 LEU HA H 5 4.547 4.481 0.066 1
1 67 . 20 1 1 A 5 5 LEU C C 5 173.750 175.528 -1.778 1
1 68 . 20 1 1 A 5 5 LEU CA C 5 52.450 53.724 -1.274 1
1 69 . 20 1 1 A 5 5 LEU CB C 5 41.998 41.040 0.958 1
1 73 . 20 1 1 A 5 5 LEU N N 5 124.490 128.406 -3.916 1
1 74 . 20 1 1 A 6 6 LEU H H 6 8.608 8.938 -0.330 1
1 75 . 20 1 1 A 6 6 LEU HA H 6 4.502 4.837 -0.335 1
1 85 . 20 1 1 A 6 6 LEU C C 6 176.550 175.567 0.983 1
1 86 . 20 1 1 A 6 6 LEU CA C 6 53.790 53.472 0.318 1
1 87 . 20 1 1 A 6 6 LEU CB C 6 42.240 42.837 -0.597 1
1 91 . 20 1 1 A 6 6 LEU N N 6 123.330 125.847 -2.517 1
1 92 . 20 1 1 A 7 7 PHE H H 7 8.344 9.133 -0.789 1
1 93 . 20 1 1 A 7 7 PHE HA H 7 5.378 4.813 0.565 1
1 101 . 20 1 1 A 7 7 PHE C C 7 175.050 176.275 -1.225 1
1 102 . 20 1 1 A 7 7 PHE CA C 7 55.830 56.736 -0.906 1
1 103 . 20 1 1 A 7 7 PHE CB C 7 39.383 42.373 -2.990 1
1 108 . 20 1 1 A 7 7 PHE N N 7 125.190 123.249 1.941 1
1 109 . 20 1 1 A 8 8 GLU H H 8 8.226 8.806 -0.580 1
1 110 . 20 1 1 A 8 8 GLU HA H 8 4.266 4.249 0.017 1
1 115 . 20 1 1 A 8 8 GLU C C 8 180.740 176.896 3.844 1
1 116 . 20 1 1 A 8 8 GLU CA C 8 59.530 58.939 0.591 1
1 117 . 20 1 1 A 8 8 GLU CB C 8 29.723 29.412 0.311 1
1 119 . 20 1 1 A 8 8 GLU N N 8 120.100 122.755 -2.655 1
1 120 . 20 1 1 A 9 9 SER H H 9 9.069 8.063 1.006 1
1 121 . 20 1 1 A 9 9 SER HA H 9 4.467 4.625 -0.158 1
1 124 . 20 1 1 A 9 9 SER C C 9 173.740 173.956 -0.216 1
1 125 . 20 1 1 A 9 9 SER CA C 9 58.600 58.683 -0.083 1
1 126 . 20 1 1 A 9 9 SER CB C 9 63.120 64.662 -1.542 1
1 127 . 20 1 1 A 9 9 SER N N 9 112.770 113.159 -0.389 1
1 128 . 20 1 1 A 10 10 GLY H H 10 6.925 7.627 -0.702 1
1 129 . 20 1 1 A 10 10 GLY HA2 H 10 3.896 4.128 -0.232 1
1 130 . 20 1 1 A 10 10 GLY HA3 H 10 3.896 4.132 -0.236 1
1 131 . 20 1 1 A 10 10 GLY C C 10 170.040 171.367 -1.327 1
1 132 . 20 1 1 A 10 10 GLY CA C 10 45.466 45.857 -0.391 1
1 133 . 20 1 1 A 10 10 GLY N N 10 105.760 107.613 -1.853 1
1 134 . 20 1 1 A 11 11 LYS H H 11 9.071 8.955 0.116 1
1 135 . 20 1 1 A 11 11 LYS HA H 11 5.484 5.663 -0.179 1
1 144 . 20 1 1 A 11 11 LYS C C 11 174.230 174.521 -0.291 1
1 145 . 20 1 1 A 11 11 LYS CA C 11 55.460 54.922 0.538 1
1 146 . 20 1 1 A 11 11 LYS CB C 11 36.408 37.125 -0.717 1
1 150 . 20 1 1 A 11 11 LYS N N 11 118.960 117.527 1.433 1
1 151 . 20 1 1 A 12 12 CYS H H 12 8.917 8.922 -0.005 1
1 152 . 20 1 1 A 12 12 CYS HA H 12 5.083 5.125 -0.042 1
1 155 . 20 1 1 A 12 12 CYS C C 12 171.760 172.217 -0.457 1
1 156 . 20 1 1 A 12 12 CYS CA C 12 56.770 56.373 0.397 1
1 157 . 20 1 1 A 12 12 CYS CB C 12 31.267 32.364 -1.097 1
1 158 . 20 1 1 A 12 12 CYS N N 12 115.700 118.943 -3.243 1
1 159 . 20 1 1 A 13 13 VAL H H 13 8.474 8.542 -0.068 1
1 160 . 20 1 1 A 13 13 VAL HA H 13 4.992 4.969 0.023 1
1 168 . 20 1 1 A 13 13 VAL C C 13 175.660 175.757 -0.097 1
1 169 . 20 1 1 A 13 13 VAL CA C 13 61.490 60.860 0.630 1
1 170 . 20 1 1 A 13 13 VAL CB C 13 35.125 34.688 0.437 1
1 173 . 20 1 1 A 13 13 VAL N N 13 120.490 119.206 1.284 1
1 174 . 20 1 1 A 14 14 ILE H H 14 9.378 9.281 0.097 1
1 175 . 20 1 1 A 14 14 ILE HA H 14 5.335 5.255 0.080 1
1 185 . 20 1 1 A 14 14 ILE C C 14 172.570 173.541 -0.971 1
1 186 . 20 1 1 A 14 14 ILE CA C 14 58.540 58.959 -0.419 1
1 187 . 20 1 1 A 14 14 ILE CB C 14 40.755 40.328 0.427 1
1 191 . 20 1 1 A 14 14 ILE N N 14 120.140 123.357 -3.217 1
1 192 . 20 1 1 A 15 15 ASP H H 15 9.295 9.218 0.077 1
1 193 . 20 1 1 A 15 15 ASP HA H 15 5.274 5.519 -0.245 1
1 196 . 20 1 1 A 15 15 ASP C C 15 176.510 174.574 1.936 1
1 197 . 20 1 1 A 15 15 ASP CA C 15 53.050 52.598 0.452 1
1 198 . 20 1 1 A 15 15 ASP CB C 15 44.007 44.760 -0.753 1
1 199 . 20 1 1 A 15 15 ASP N N 15 123.200 123.873 -0.673 1
1 200 . 20 1 1 A 16 16 LEU H H 16 8.892 8.746 0.146 1
1 201 . 20 1 1 A 16 16 LEU HA H 16 4.981 5.088 -0.107 1
1 211 . 20 1 1 A 16 16 LEU C C 16 175.430 175.804 -0.374 1
1 212 . 20 1 1 A 16 16 LEU CA C 16 53.040 53.446 -0.406 1
1 213 . 20 1 1 A 16 16 LEU CB C 16 45.782 45.803 -0.021 1
1 217 . 20 1 1 A 16 16 LEU N N 16 123.620 125.694 -2.074 1
1 218 . 20 1 1 A 17 17 ASN H H 17 8.694 8.441 0.253 1
1 219 . 20 1 1 A 17 17 ASN HA H 17 4.632 4.821 -0.189 1
1 224 . 20 1 1 A 17 17 ASN C C 17 175.500 176.599 -1.099 1
1 225 . 20 1 1 A 17 17 ASN CA C 17 53.310 53.703 -0.393 1
1 226 . 20 1 1 A 17 17 ASN CB C 17 38.508 40.769 -2.261 1
1 227 . 20 1 1 A 17 17 ASN N N 17 121.330 122.939 -1.609 1
1 229 . 20 1 1 A 18 18 GLU H H 18 8.793 8.989 -0.196 1
1 230 . 20 1 1 A 18 18 GLU HA H 18 3.736 4.174 -0.438 1
1 235 . 20 1 1 A 18 18 GLU C C 18 175.250 178.497 -3.247 1
1 236 . 20 1 1 A 18 18 GLU CA C 18 58.330 59.041 -0.711 1
1 237 . 20 1 1 A 18 18 GLU CB C 18 29.947 29.265 0.682 1
1 239 . 20 1 1 A 18 18 GLU N N 18 124.750 125.962 -1.212 1
1 240 . 20 1 1 A 19 19 GLU H H 19 8.187 7.946 0.241 1
1 241 . 20 1 1 A 19 19 GLU HA H 19 3.885 4.022 -0.137 1
1 246 . 20 1 1 A 19 19 GLU C C 19 177.350 176.541 0.809 1
1 247 . 20 1 1 A 19 19 GLU CA C 19 57.730 58.584 -0.854 1
1 248 . 20 1 1 A 19 19 GLU CB C 19 29.744 29.482 0.262 1
1 250 . 20 1 1 A 19 19 GLU N N 19 117.280 117.801 -0.521 1
1 251 . 20 1 1 A 20 20 TYR H H 20 7.135 7.619 -0.484 1
1 252 . 20 1 1 A 20 20 TYR HA H 20 4.668 4.601 0.067 1
1 259 . 20 1 1 A 20 20 TYR CA C 20 56.050 58.203 -2.153 1
1 260 . 20 1 1 A 20 20 TYR CB C 20 38.464 39.273 -0.809 1
1 263 . 20 1 1 A 20 20 TYR N N 20 117.730 119.794 -2.064 1
1 264 . 20 1 1 A 21 21 GLU H H 21 10.044 9.058 0.986 1
1 265 . 20 1 1 A 21 21 GLU HA H 21 3.807 3.924 -0.117 1
1 270 . 20 1 1 A 21 21 GLU C C 21 179.150 178.468 0.682 1
1 271 . 20 1 1 A 21 21 GLU CA C 21 60.640 60.388 0.252 1
1 272 . 20 1 1 A 21 21 GLU CB C 21 29.167 29.793 -0.626 1
1 274 . 20 1 1 A 21 21 GLU N N 21 129.480 125.163 4.317 1
1 275 . 20 1 1 A 22 22 VAL H H 22 9.539 8.172 1.367 1
1 276 . 20 1 1 A 22 22 VAL HA H 22 3.574 3.849 -0.275 1
1 284 . 20 1 1 A 22 22 VAL C C 22 175.490 177.355 -1.865 1
1 285 . 20 1 1 A 22 22 VAL CA C 22 64.470 65.349 -0.879 1
1 286 . 20 1 1 A 22 22 VAL CB C 22 30.858 31.104 -0.246 1
1 289 . 20 1 1 A 22 22 VAL N N 22 115.360 118.827 -3.467 1
1 290 . 20 1 1 A 23 23 VAL H H 23 6.843 8.332 -1.489 1
1 291 . 20 1 1 A 23 23 VAL HA H 23 3.387 3.714 -0.327 1
1 299 . 20 1 1 A 23 23 VAL C C 23 176.900 178.182 -1.282 1
1 300 . 20 1 1 A 23 23 VAL CA C 23 67.030 66.831 0.199 1
1 301 . 20 1 1 A 23 23 VAL CB C 23 31.499 31.652 -0.153 1
1 304 . 20 1 1 A 23 23 VAL N N 23 121.150 121.112 0.038 1
1 305 . 20 1 1 A 24 24 LYS H H 24 7.533 7.583 -0.050 1
1 306 . 20 1 1 A 24 24 LYS HA H 24 3.851 4.003 -0.152 1
1 315 . 20 1 1 A 24 24 LYS C C 24 179.820 179.673 0.147 1
1 316 . 20 1 1 A 24 24 LYS CA C 24 60.480 60.040 0.440 1
1 317 . 20 1 1 A 24 24 LYS CB C 24 32.626 32.344 0.282 1
1 321 . 20 1 1 A 24 24 LYS N N 24 120.120 119.708 0.412 1
1 322 . 20 1 1 A 25 25 LEU H H 25 7.870 8.366 -0.496 1
1 323 . 20 1 1 A 25 25 LEU HA H 25 4.097 4.095 0.002 1
1 333 . 20 1 1 A 25 25 LEU C C 25 180.620 179.427 1.193 1
1 334 . 20 1 1 A 25 25 LEU CA C 25 57.440 57.850 -0.410 1
1 335 . 20 1 1 A 25 25 LEU CB C 25 41.717 41.639 0.078 1
1 339 . 20 1 1 A 25 25 LEU N N 25 117.260 120.524 -3.264 1
1 340 . 20 1 1 A 26 26 LEU H H 26 8.489 8.580 -0.091 1
1 341 . 20 1 1 A 26 26 LEU HA H 26 3.703 3.940 -0.237 1
1 351 . 20 1 1 A 26 26 LEU C C 26 178.820 179.223 -0.403 1
1 352 . 20 1 1 A 26 26 LEU CA C 26 58.310 57.332 0.978 1
1 353 . 20 1 1 A 26 26 LEU CB C 26 42.487 41.589 0.898 1
1 357 . 20 1 1 A 26 26 LEU N N 26 121.760 118.981 2.779 1
1 358 . 20 1 1 A 27 27 LYS H H 27 8.190 7.961 0.229 1
1 359 . 20 1 1 A 27 27 LYS HA H 27 3.799 4.189 -0.390 1
1 368 . 20 1 1 A 27 27 LYS C C 27 177.470 179.225 -1.755 1
1 369 . 20 1 1 A 27 27 LYS CA C 27 60.480 59.208 1.272 1
1 370 . 20 1 1 A 27 27 LYS CB C 27 33.472 32.212 1.260 1
1 374 . 20 1 1 A 27 27 LYS N N 27 117.650 121.455 -3.805 1
1 375 . 20 1 1 A 28 28 GLU H H 28 6.841 8.056 -1.215 1
1 376 . 20 1 1 A 28 28 GLU HA H 28 4.238 4.210 0.028 1
1 381 . 20 1 1 A 28 28 GLU C C 28 177.280 177.584 -0.304 1
1 382 . 20 1 1 A 28 28 GLU CA C 28 57.370 58.841 -1.471 1
1 383 . 20 1 1 A 28 28 GLU CB C 28 30.480 29.372 1.108 1
1 385 . 20 1 1 A 28 28 GLU N N 28 111.940 117.951 -6.011 1
1 386 . 20 1 1 A 29 29 LYS H H 29 7.577 7.914 -0.337 1
1 387 . 20 1 1 A 29 29 LYS HA H 29 4.414 4.505 -0.091 1
1 396 . 20 1 1 A 29 29 LYS C C 29 175.230 175.051 0.179 1
1 397 . 20 1 1 A 29 29 LYS CA C 29 53.800 55.135 -1.335 1
1 398 . 20 1 1 A 29 29 LYS CB C 29 33.530 32.671 0.859 1
1 402 . 20 1 1 A 29 29 LYS N N 29 115.460 116.951 -1.491 1
1 403 . 20 1 1 A 30 30 ILE H H 30 6.921 7.586 -0.665 1
1 404 . 20 1 1 A 30 30 ILE HA H 30 3.939 4.615 -0.676 1
1 414 . 20 1 1 A 30 30 ILE CA C 30 60.290 57.236 3.054 1
1 415 . 20 1 1 A 30 30 ILE CB C 30 39.967 41.141 -1.174 1
1 419 . 20 1 1 A 30 30 ILE N N 30 122.100 120.479 1.621 1
1 420 . 20 1 1 A 31 31 PRO HA H 31 4.840 4.920 -0.080 1
1 427 . 20 1 1 A 31 31 PRO C C 31 175.340 176.506 -1.166 1
1 428 . 20 1 1 A 31 31 PRO CA C 31 62.720 62.434 0.286 1
1 429 . 20 1 1 A 31 31 PRO CB C 31 36.350 33.281 3.069 1
1 432 . 20 1 1 A 32 32 PHE H H 32 7.627 8.587 -0.960 1
1 433 . 20 1 1 A 32 32 PHE HA H 32 4.959 5.124 -0.165 1
1 441 . 20 1 1 A 32 32 PHE C C 32 171.870 172.209 -0.339 1
1 442 . 20 1 1 A 32 32 PHE CA C 32 56.300 56.036 0.264 1
1 443 . 20 1 1 A 32 32 PHE CB C 32 40.253 42.093 -1.840 1
1 447 . 20 1 1 A 32 32 PHE N N 32 112.880 117.606 -4.726 1
1 448 . 20 1 1 A 33 33 GLU H H 33 8.728 8.607 0.121 1
1 449 . 20 1 1 A 33 33 GLU HA H 33 5.309 5.057 0.252 1
1 454 . 20 1 1 A 33 33 GLU C C 33 175.630 174.925 0.705 1
1 455 . 20 1 1 A 33 33 GLU CA C 33 54.450 54.538 -0.088 1
1 456 . 20 1 1 A 33 33 GLU CB C 33 33.814 33.209 0.605 1
1 458 . 20 1 1 A 33 33 GLU N N 33 118.710 119.264 -0.554 1
1 459 . 20 1 1 A 34 34 SER H H 34 8.964 8.274 0.690 1
1 460 . 20 1 1 A 34 34 SER HA H 34 4.803 4.860 -0.057 1
1 463 . 20 1 1 A 34 34 SER C C 34 174.560 173.061 1.499 1
1 464 . 20 1 1 A 34 34 SER CA C 34 55.830 56.684 -0.854 1
1 465 . 20 1 1 A 34 34 SER CB C 34 64.270 65.658 -1.388 1
1 466 . 20 1 1 A 34 34 SER N N 34 115.150 115.799 -0.649 1
1 467 . 20 1 1 A 35 35 VAL H H 35 8.322 8.717 -0.395 1
1 468 . 20 1 1 A 35 35 VAL HA H 35 4.724 4.129 0.595 1
1 476 . 20 1 1 A 35 35 VAL C C 35 174.950 175.653 -0.703 1
1 477 . 20 1 1 A 35 35 VAL CA C 35 61.350 62.988 -1.638 1
1 478 . 20 1 1 A 35 35 VAL CB C 35 35.676 31.777 3.899 1
1 481 . 20 1 1 A 35 35 VAL N N 35 121.700 123.538 -1.838 1
1 482 . 20 1 1 A 36 36 VAL H H 36 9.200 8.657 0.543 1
1 483 . 20 1 1 A 36 36 VAL HA H 36 3.999 4.483 -0.484 1
1 491 . 20 1 1 A 36 36 VAL C C 36 175.490 175.586 -0.096 1
1 492 . 20 1 1 A 36 36 VAL CA C 36 63.900 62.602 1.298 1
1 493 . 20 1 1 A 36 36 VAL CB C 36 33.593 30.989 2.604 1
1 496 . 20 1 1 A 36 36 VAL N N 36 123.870 127.997 -4.127 1
1 497 . 20 1 1 A 37 37 ASN H H 37 8.739 8.778 -0.039 1
1 498 . 20 1 1 A 37 37 ASN HA H 37 5.276 5.322 -0.046 1
1 503 . 20 1 1 A 37 37 ASN C C 37 174.040 174.693 -0.653 1
1 504 . 20 1 1 A 37 37 ASN CA C 37 51.960 52.221 -0.261 1
1 505 . 20 1 1 A 37 37 ASN CB C 37 41.996 39.912 2.084 1
1 506 . 20 1 1 A 37 37 ASN N N 37 123.895 126.005 -2.110 1
1 508 . 20 1 1 A 38 38 THR H H 38 8.703 9.020 -0.317 1
1 509 . 20 1 1 A 38 38 THR HA H 38 5.323 5.331 -0.008 1
1 514 . 20 1 1 A 38 38 THR C C 38 174.910 173.203 1.707 1
1 515 . 20 1 1 A 38 38 THR CA C 38 59.740 60.278 -0.538 1
1 516 . 20 1 1 A 38 38 THR CB C 38 71.332 72.233 -0.901 1
1 518 . 20 1 1 A 38 38 THR N N 38 111.440 111.423 0.017 1
1 519 . 20 1 1 A 39 39 TRP H H 39 8.489 8.665 -0.176 1
1 520 . 20 1 1 A 39 39 TRP HA H 39 4.838 4.889 -0.051 1
1 529 . 20 1 1 A 39 39 TRP C C 39 175.270 176.265 -0.995 1
1 530 . 20 1 1 A 39 39 TRP CA C 39 57.040 56.760 0.280 1
1 531 . 20 1 1 A 39 39 TRP CB C 39 29.089 30.923 -1.834 1
1 537 . 20 1 1 A 39 39 TRP N N 39 125.321 123.837 1.484 1
1 539 . 20 1 1 A 40 40 GLY H H 40 8.596 9.024 -0.428 1
1 540 . 20 1 1 A 40 40 GLY HA2 H 40 3.528 3.680 -0.152 1
1 541 . 20 1 1 A 40 40 GLY HA3 H 40 3.465 3.768 -0.303 1
1 542 . 20 1 1 A 40 40 GLY CA C 40 47.619 47.210 0.409 1
1 543 . 20 1 1 A 40 40 GLY N N 40 113.220 116.130 -2.910 1
1 544 . 20 1 1 A 41 41 GLU H H 41 7.870 8.296 -0.426 1
1 545 . 20 1 1 A 41 41 GLU HA H 41 3.717 3.934 -0.217 1
1 550 . 20 1 1 A 41 41 GLU C C 41 171.810 174.540 -2.730 1
1 551 . 20 1 1 A 41 41 GLU CA C 41 55.390 54.925 0.465 1
1 552 . 20 1 1 A 41 41 GLU CB C 41 26.025 30.306 -4.281 1
1 554 . 20 1 1 A 41 41 GLU N N 41 128.227 124.439 3.788 1
1 555 . 20 1 1 A 42 42 GLU H H 42 7.158 7.749 -0.591 1
1 556 . 20 1 1 A 42 42 GLU HA H 42 4.811 5.073 -0.262 1
1 561 . 20 1 1 A 42 42 GLU C C 42 175.680 173.980 1.700 1
1 562 . 20 1 1 A 42 42 GLU CA C 42 53.860 54.593 -0.733 1
1 563 . 20 1 1 A 42 42 GLU CB C 42 31.149 33.794 -2.645 1
1 565 . 20 1 1 A 42 42 GLU N N 42 116.880 116.898 -0.018 1
1 566 . 20 1 1 A 43 43 ILE H H 43 8.226 8.741 -0.515 1
1 567 . 20 1 1 A 43 43 ILE HA H 43 4.934 5.138 -0.204 1
1 577 . 20 1 1 A 43 43 ILE C C 43 174.420 175.153 -0.733 1
1 578 . 20 1 1 A 43 43 ILE CA C 43 59.250 60.487 -1.237 1
1 579 . 20 1 1 A 43 43 ILE CB C 43 43.278 40.925 2.353 1
1 583 . 20 1 1 A 43 43 ILE N N 43 125.120 121.819 3.301 1
1 584 . 20 1 1 A 44 44 TYR H H 44 9.318 9.193 0.125 1
1 585 . 20 1 1 A 44 44 TYR HA H 44 6.008 5.168 0.840 1
1 592 . 20 1 1 A 44 44 TYR C C 44 174.150 173.009 1.141 1
1 593 . 20 1 1 A 44 44 TYR CA C 44 55.740 55.111 0.629 1
1 594 . 20 1 1 A 44 44 TYR CB C 44 42.606 41.501 1.105 1
1 597 . 20 1 1 A 44 44 TYR N N 44 124.370 125.125 -0.755 1
1 598 . 20 1 1 A 45 45 PHE H H 45 8.211 8.850 -0.639 1
1 599 . 20 1 1 A 45 45 PHE HA H 45 5.088 5.278 -0.190 1
1 607 . 20 1 1 A 45 45 PHE C C 45 173.730 173.403 0.327 1
1 608 . 20 1 1 A 45 45 PHE CA C 45 55.140 55.920 -0.780 1
1 609 . 20 1 1 A 45 45 PHE CB C 45 40.793 41.073 -0.280 1
1 613 . 20 1 1 A 45 45 PHE N N 45 114.110 116.529 -2.419 1
1 614 . 20 1 1 A 46 46 SER H H 46 9.523 8.746 0.777 1
1 615 . 20 1 1 A 46 46 SER HA H 46 4.316 5.126 -0.810 1
1 618 . 20 1 1 A 46 46 SER C C 46 174.360 174.004 0.356 1
1 619 . 20 1 1 A 46 46 SER CA C 46 59.960 57.333 2.627 1
1 620 . 20 1 1 A 46 46 SER CB C 46 63.980 63.046 0.934 1
1 621 . 20 1 1 A 46 46 SER N N 46 117.150 114.676 2.474 1
1 622 . 20 1 1 A 47 47 THR H H 47 8.225 8.196 0.029 1
1 623 . 20 1 1 A 47 47 THR HA H 47 4.971 4.686 0.285 1
1 628 . 20 1 1 A 47 47 THR CA C 47 59.160 60.711 -1.551 1
1 629 . 20 1 1 A 47 47 THR CB C 47 70.385 68.878 1.507 1
1 631 . 20 1 1 A 47 47 THR N N 47 113.910 116.975 -3.065 1
1 632 . 20 1 1 A 48 48 PRO HA H 48 4.585 4.333 0.252 1
1 639 . 20 1 1 A 48 48 PRO C C 48 175.940 176.296 -0.356 1
1 640 . 20 1 1 A 48 48 PRO CA C 48 62.410 64.179 -1.769 1
1 641 . 20 1 1 A 48 48 PRO CB C 48 31.770 31.864 -0.094 1
1 644 . 20 1 1 A 49 49 VAL H H 49 7.458 7.388 0.070 1
1 645 . 20 1 1 A 49 49 VAL HA H 49 4.178 4.327 -0.149 1
1 653 . 20 1 1 A 49 49 VAL C C 49 174.070 175.400 -1.330 1
1 654 . 20 1 1 A 49 49 VAL CA C 49 60.840 61.403 -0.563 1
1 655 . 20 1 1 A 49 49 VAL CB C 49 34.134 33.043 1.091 1
1 658 . 20 1 1 A 49 49 VAL N N 49 114.800 117.511 -2.711 1
1 659 . 20 1 1 A 50 50 ASN H H 50 8.897 8.750 0.147 1
1 660 . 20 1 1 A 50 50 ASN HA H 50 4.684 5.198 -0.514 1
1 665 . 20 1 1 A 50 50 ASN C C 50 173.550 173.703 -0.153 1
1 666 . 20 1 1 A 50 50 ASN CA C 50 51.610 52.551 -0.941 1
1 667 . 20 1 1 A 50 50 ASN CB C 50 39.730 40.434 -0.704 1
1 668 . 20 1 1 A 50 50 ASN N N 50 126.400 126.265 0.135 1
1 670 . 20 1 1 A 51 51 VAL H H 51 7.587 8.990 -1.403 1
1 671 . 20 1 1 A 51 51 VAL HA H 51 4.148 4.888 -0.740 1
1 679 . 20 1 1 A 51 51 VAL C C 51 174.350 175.396 -1.046 1
1 680 . 20 1 1 A 51 51 VAL CA C 51 61.280 59.041 2.239 1
1 681 . 20 1 1 A 51 51 VAL CB C 51 35.206 35.000 0.206 1
1 684 . 20 1 1 A 51 51 VAL N N 51 122.670 122.681 -0.011 1
1 685 . 20 1 1 A 52 52 GLN H H 52 8.337 8.646 -0.309 1
1 686 . 20 1 1 A 52 52 GLN HA H 52 4.094 4.540 -0.446 1
1 693 . 20 1 1 A 52 52 GLN C C 52 176.240 175.517 0.723 1
1 694 . 20 1 1 A 52 52 GLN CA C 52 56.560 55.512 1.048 1
1 695 . 20 1 1 A 52 52 GLN CB C 52 29.745 29.789 -0.044 1
1 697 . 20 1 1 A 52 52 GLN N N 52 122.670 119.899 2.771 1
1 699 . 20 1 1 A 53 53 LYS H H 53 7.363 7.539 -0.176 1
1 700 . 20 1 1 A 53 53 LYS HA H 53 3.994 4.216 -0.222 1
1 709 . 20 1 1 A 53 53 LYS C C 53 176.010 175.367 0.643 1
1 710 . 20 1 1 A 53 53 LYS CA C 53 56.960 56.448 0.512 1
1 711 . 20 1 1 A 53 53 LYS CB C 53 33.000 33.252 -0.252 1
1 715 . 20 1 1 A 53 53 LYS N N 53 119.940 122.848 -2.908 1
1 716 . 20 1 1 A 54 54 MET H H 54 8.797 8.895 -0.098 1
1 717 . 20 1 1 A 54 54 MET HA H 54 4.449 5.002 -0.553 1
1 725 . 20 1 1 A 54 54 MET C C 54 174.630 175.160 -0.530 1
1 726 . 20 1 1 A 54 54 MET CA C 54 54.530 54.245 0.285 1
1 727 . 20 1 1 A 54 54 MET CB C 54 36.912 37.146 -0.234 1
1 730 . 20 1 1 A 54 54 MET N N 54 124.720 124.352 0.368 1
1 731 . 20 1 1 A 55 55 GLU H H 55 9.773 9.324 0.449 1
1 732 . 20 1 1 A 55 55 GLU HA H 55 4.029 4.695 -0.666 1
1 737 . 20 1 1 A 55 55 GLU C C 55 176.930 177.141 -0.211 1
1 738 . 20 1 1 A 55 55 GLU CA C 55 59.910 57.246 2.664 1
1 739 . 20 1 1 A 55 55 GLU CB C 55 29.611 32.567 -2.956 1
1 741 . 20 1 1 A 55 55 GLU N N 55 124.250 120.409 3.841 1
1 742 . 20 1 1 A 56 56 ASN H H 56 8.371 8.241 0.130 1
1 743 . 20 1 1 A 56 56 ASN HA H 56 5.163 4.994 0.169 1
1 748 . 20 1 1 A 56 56 ASN CA C 56 50.680 50.848 -0.168 1
1 749 . 20 1 1 A 56 56 ASN CB C 56 39.563 38.550 1.013 1
1 750 . 20 1 1 A 56 56 ASN N N 56 115.600 114.130 1.470 1
1 752 . 20 1 1 A 57 57 PRO HA H 57 4.854 5.043 -0.189 1
1 759 . 20 1 1 A 57 57 PRO C C 57 178.760 176.291 2.469 1
1 760 . 20 1 1 A 57 57 PRO CA C 57 62.630 62.656 -0.026 1
1 761 . 20 1 1 A 57 57 PRO CB C 57 32.197 32.045 0.152 1
1 764 . 20 1 1 A 58 58 ARG H H 58 9.448 8.776 0.672 1
1 765 . 20 1 1 A 58 58 ARG HA H 58 4.636 4.794 -0.158 1
1 773 . 20 1 1 A 58 58 ARG C C 58 175.430 176.108 -0.678 1
1 774 . 20 1 1 A 58 58 ARG CA C 58 54.210 54.480 -0.270 1
1 775 . 20 1 1 A 58 58 ARG CB C 58 34.208 33.364 0.844 1
1 778 . 20 1 1 A 58 58 ARG N N 58 122.690 123.131 -0.441 1
1 780 . 20 1 1 A 59 59 GLU H H 59 8.694 8.718 -0.024 1
1 781 . 20 1 1 A 59 59 GLU HA H 59 4.096 4.469 -0.373 1
1 786 . 20 1 1 A 59 59 GLU C C 59 175.210 175.860 -0.650 1
1 787 . 20 1 1 A 59 59 GLU CA C 59 56.470 57.032 -0.562 1
1 788 . 20 1 1 A 59 59 GLU CB C 59 31.074 30.279 0.795 1
1 790 . 20 1 1 A 59 59 GLU N N 59 119.520 121.094 -1.574 1
1 791 . 20 1 1 A 60 60 VAL H H 60 7.296 7.519 -0.223 1
1 792 . 20 1 1 A 60 60 VAL HA H 60 4.471 4.687 -0.216 1
1 800 . 20 1 1 A 60 60 VAL C C 60 174.900 174.443 0.457 1
1 801 . 20 1 1 A 60 60 VAL CA C 60 61.058 60.070 0.988 1
1 802 . 20 1 1 A 60 60 VAL CB C 60 35.056 36.804 -1.748 1
1 805 . 20 1 1 A 60 60 VAL N N 60 117.380 119.587 -2.207 1
1 806 . 20 1 1 A 61 61 VAL H H 61 8.064 8.142 -0.078 1
1 807 . 20 1 1 A 61 61 VAL HA H 61 4.540 4.928 -0.388 1
1 815 . 20 1 1 A 61 61 VAL C C 61 172.880 174.342 -1.462 1
1 816 . 20 1 1 A 61 61 VAL CA C 61 58.820 58.835 -0.015 1
1 817 . 20 1 1 A 61 61 VAL CB C 61 33.464 36.232 -2.768 1
1 820 . 20 1 1 A 61 61 VAL N N 61 117.630 118.648 -1.018 1
1 821 . 20 1 1 A 62 62 GLU H H 62 8.620 8.551 0.069 1
1 822 . 20 1 1 A 62 62 GLU HA H 62 4.543 4.903 -0.360 1
1 827 . 20 1 1 A 62 62 GLU C C 62 176.350 176.503 -0.153 1
1 828 . 20 1 1 A 62 62 GLU CA C 62 53.640 54.501 -0.861 1
1 829 . 20 1 1 A 62 62 GLU CB C 62 32.360 32.967 -0.607 1
1 831 . 20 1 1 A 62 62 GLU N N 62 118.060 119.665 -1.605 1
1 832 . 20 1 1 A 63 63 ILE H H 63 8.520 8.572 -0.052 1
1 833 . 20 1 1 A 63 63 ILE HA H 63 3.275 4.365 -1.090 1
1 843 . 20 1 1 A 63 63 ILE C C 63 177.940 176.558 1.382 1
1 844 . 20 1 1 A 63 63 ILE CA C 63 64.410 61.409 3.001 1
1 845 . 20 1 1 A 63 63 ILE CB C 63 37.674 36.067 1.607 1
1 849 . 20 1 1 A 63 63 ILE N N 63 120.310 123.054 -2.744 1
1 850 . 20 1 1 A 64 64 GLY H H 64 9.091 8.500 0.591 1
1 851 . 20 1 1 A 64 64 GLY HA2 H 64 3.563 4.124 -0.561 1
1 852 . 20 1 1 A 64 64 GLY HA3 H 64 4.774 4.156 0.618 1
1 853 . 20 1 1 A 64 64 GLY C C 64 173.290 174.128 -0.838 1
1 854 . 20 1 1 A 64 64 GLY CA C 64 45.359 45.127 0.232 1
1 855 . 20 1 1 A 64 64 GLY N N 64 116.340 112.739 3.601 1
1 856 . 20 1 1 A 65 65 ASP H H 65 8.335 7.900 0.435 1
1 857 . 20 1 1 A 65 65 ASP HA H 65 4.914 5.157 -0.243 1
1 860 . 20 1 1 A 65 65 ASP C C 65 175.180 174.959 0.221 1
1 861 . 20 1 1 A 65 65 ASP CA C 65 56.630 53.562 3.068 1
1 862 . 20 1 1 A 65 65 ASP CB C 65 41.980 43.384 -1.404 1
1 863 . 20 1 1 A 65 65 ASP N N 65 121.610 120.122 1.488 1
1 864 . 20 1 1 A 66 66 VAL H H 66 7.580 8.332 -0.752 1
1 865 . 20 1 1 A 66 66 VAL HA H 66 5.085 4.987 0.098 1
1 873 . 20 1 1 A 66 66 VAL C C 66 176.170 174.960 1.210 1
1 874 . 20 1 1 A 66 66 VAL CA C 66 60.240 60.755 -0.515 1
1 875 . 20 1 1 A 66 66 VAL CB C 66 33.783 35.835 -2.052 1
1 878 . 20 1 1 A 66 66 VAL N N 66 117.330 119.410 -2.080 1
1 879 . 20 1 1 A 67 67 GLY H H 67 9.592 8.251 1.341 1
1 880 . 20 1 1 A 67 67 GLY HA2 H 67 5.899 4.585 1.314 1
1 881 . 20 1 1 A 67 67 GLY HA3 H 67 3.200 4.655 -1.455 1
1 882 . 20 1 1 A 67 67 GLY C C 67 171.740 171.536 0.204 1
1 883 . 20 1 1 A 67 67 GLY CA C 67 43.580 44.353 -0.773 1
1 884 . 20 1 1 A 67 67 GLY N N 67 111.440 113.570 -2.130 1
1 885 . 20 1 1 A 68 68 TYR H H 68 9.146 9.040 0.106 1
1 886 . 20 1 1 A 68 68 TYR HA H 68 5.809 5.233 0.576 1
1 889 . 20 1 1 A 68 68 TYR C C 68 173.860 174.589 -0.729 1
1 890 . 20 1 1 A 68 68 TYR CA C 68 55.900 56.789 -0.889 1
1 891 . 20 1 1 A 68 68 TYR CB C 68 42.170 40.667 1.503 1
1 892 . 20 1 1 A 68 68 TYR N N 68 119.980 121.216 -1.236 1
1 893 . 20 1 1 A 69 69 TRP H H 69 9.213 8.843 0.370 1
1 894 . 20 1 1 A 69 69 TRP HA H 69 5.268 5.081 0.187 1
1 902 . 20 1 1 A 69 69 TRP CA C 69 53.390 55.280 -1.890 1
1 903 . 20 1 1 A 69 69 TRP CB C 69 30.442 29.975 0.467 1
1 908 . 20 1 1 A 69 69 TRP N N 69 132.150 127.174 4.976 1
1 910 . 20 1 1 A 70 70 PRO HA H 70 3.923 4.254 -0.331 1
1 917 . 20 1 1 A 70 70 PRO CA C 70 66.753 66.035 0.718 1
1 918 . 20 1 1 A 70 70 PRO CB C 70 30.054 31.484 -1.430 1
1 921 . 20 1 1 A 71 71 PRO HA H 71 3.716 4.138 -0.422 1
1 928 . 20 1 1 A 71 71 PRO CA C 71 65.803 64.791 1.012 1
1 929 . 20 1 1 A 71 71 PRO CB C 71 30.620 30.579 0.041 1
1 932 . 20 1 1 A 72 72 GLY HA2 H 72 3.168 3.498 -0.330 1
1 933 . 20 1 1 A 72 72 GLY HA3 H 72 4.271 3.631 0.640 1
1 934 . 20 1 1 A 72 72 GLY C C 72 173.220 173.275 -0.055 1
1 935 . 20 1 1 A 72 72 GLY CA C 72 44.350 45.166 -0.816 1
1 936 . 20 1 1 A 73 73 LYS H H 73 7.989 7.504 0.485 1
1 937 . 20 1 1 A 73 73 LYS HA H 73 3.566 3.780 -0.214 1
1 946 . 20 1 1 A 73 73 LYS C C 73 177.420 174.975 2.445 1
1 947 . 20 1 1 A 73 73 LYS CA C 73 57.790 56.945 0.845 1
1 948 . 20 1 1 A 73 73 LYS CB C 73 29.398 30.349 -0.951 1
1 952 . 20 1 1 A 73 73 LYS N N 73 121.515 116.495 5.020 1
1 953 . 20 1 1 A 74 74 ALA H H 74 6.969 7.350 -0.381 1
1 954 . 20 1 1 A 74 74 ALA HA H 74 5.123 5.107 0.016 1
1 958 . 20 1 1 A 74 74 ALA C C 74 177.490 175.775 1.715 1
1 959 . 20 1 1 A 74 74 ALA CA C 74 51.900 50.491 1.409 1
1 960 . 20 1 1 A 74 74 ALA CB C 74 23.090 23.341 -0.251 1
1 961 . 20 1 1 A 74 74 ALA N N 74 118.780 119.445 -0.665 1
1 962 . 20 1 1 A 75 75 LEU H H 75 8.032 7.984 0.048 1
1 963 . 20 1 1 A 75 75 LEU HA H 75 4.844 3.997 0.847 1
1 973 . 20 1 1 A 75 75 LEU C C 75 175.540 175.702 -0.162 1
1 974 . 20 1 1 A 75 75 LEU CA C 75 54.000 54.596 -0.596 1
1 975 . 20 1 1 A 75 75 LEU CB C 75 43.858 42.729 1.129 1
1 979 . 20 1 1 A 75 75 LEU N N 75 122.780 121.876 0.904 1
1 980 . 20 1 1 A 76 76 CYS H H 76 8.813 7.851 0.962 1
1 981 . 20 1 1 A 76 76 CYS HA H 76 5.178 4.747 0.431 1
1 984 . 20 1 1 A 76 76 CYS C C 76 173.080 172.359 0.721 1
1 985 . 20 1 1 A 76 76 CYS CA C 76 55.850 58.242 -2.392 1
1 986 . 20 1 1 A 76 76 CYS CB C 76 31.922 31.301 0.621 1
1 987 . 20 1 1 A 76 76 CYS N N 76 117.950 119.585 -1.635 1
1 988 . 20 1 1 A 77 77 LEU H H 77 9.621 8.437 1.184 1
1 989 . 20 1 1 A 77 77 LEU HA H 77 4.741 4.868 -0.127 1
1 999 . 20 1 1 A 77 77 LEU C C 77 175.040 175.199 -0.159 1
1 1000 . 20 1 1 A 77 77 LEU CA C 77 53.510 53.655 -0.145 1
1 1001 . 20 1 1 A 77 77 LEU CB C 77 44.058 46.060 -2.002 1
1 1005 . 20 1 1 A 77 77 LEU N N 77 123.140 123.448 -0.308 1
1 1006 . 20 1 1 A 78 78 PHE H H 78 7.930 8.460 -0.530 1
1 1007 . 20 1 1 A 78 78 PHE HA H 78 4.809 5.104 -0.295 1
1 1015 . 20 1 1 A 78 78 PHE C C 78 174.830 174.898 -0.068 1
1 1016 . 20 1 1 A 78 78 PHE CA C 78 58.140 56.002 2.138 1
1 1017 . 20 1 1 A 78 78 PHE CB C 78 39.603 40.569 -0.966 1
1 1021 . 20 1 1 A 78 78 PHE N N 78 120.120 122.743 -2.623 1
1 1022 . 20 1 1 A 79 79 PHE H H 79 8.038 8.441 -0.403 1
1 1023 . 20 1 1 A 79 79 PHE HA H 79 5.029 4.912 0.117 1
1 1031 . 20 1 1 A 79 79 PHE C C 79 172.070 174.966 -2.896 1
1 1032 . 20 1 1 A 79 79 PHE CA C 79 55.630 56.299 -0.669 1
1 1033 . 20 1 1 A 79 79 PHE CB C 79 39.003 38.869 0.134 1
1 1037 . 20 1 1 A 79 79 PHE N N 79 119.040 119.230 -0.190 1
1 1038 . 20 1 1 A 80 80 GLY H H 80 7.489 7.737 -0.248 1
1 1039 . 20 1 1 A 80 80 GLY HA2 H 80 3.653 4.153 -0.500 1
1 1040 . 20 1 1 A 80 80 GLY HA3 H 80 4.283 4.213 0.070 1
1 1041 . 20 1 1 A 80 80 GLY C C 80 170.830 173.528 -2.698 1
1 1042 . 20 1 1 A 80 80 GLY CA C 80 45.342 46.158 -0.816 1
1 1043 . 20 1 1 A 80 80 GLY N N 80 110.010 108.647 1.363 1
1 1044 . 20 1 1 A 81 81 LYS H H 81 8.186 9.033 -0.847 1
1 1045 . 20 1 1 A 81 81 LYS HA H 81 4.003 4.492 -0.489 1
1 1054 . 20 1 1 A 81 81 LYS C C 81 177.530 176.011 1.519 1
1 1055 . 20 1 1 A 81 81 LYS CA C 81 57.730 55.654 2.076 1
1 1056 . 20 1 1 A 81 81 LYS CB C 81 33.293 34.093 -0.800 1
1 1060 . 20 1 1 A 81 81 LYS N N 81 117.260 125.072 -7.812 1
1 1061 . 20 1 1 A 82 82 THR H H 82 8.076 7.928 0.148 1
1 1062 . 20 1 1 A 82 82 THR HA H 82 4.423 4.211 0.212 1
1 1067 . 20 1 1 A 82 82 THR CA C 82 59.230 62.034 -2.804 1
1 1068 . 20 1 1 A 82 82 THR CB C 82 68.310 67.902 0.408 1
1 1070 . 20 1 1 A 82 82 THR N N 82 113.611 113.085 0.526 1
1 1071 . 20 1 1 A 83 83 PRO HA H 83 4.090 4.315 -0.225 1
1 1078 . 20 1 1 A 83 83 PRO CA C 83 63.743 63.678 0.065 1
1 1079 . 20 1 1 A 83 83 PRO CB C 83 32.167 31.223 0.944 1
1 1082 . 20 1 1 A 84 84 MET HA H 84 4.220 4.816 -0.596 1
1 1090 . 20 1 1 A 84 84 MET C C 84 175.920 174.542 1.378 1
1 1091 . 20 1 1 A 84 84 MET CA C 84 55.880 54.590 1.290 1
1 1092 . 20 1 1 A 84 84 MET CB C 84 33.070 33.180 -0.110 1
1 1095 . 20 1 1 A 85 85 SER H H 85 7.256 8.442 -1.186 1
1 1096 . 20 1 1 A 85 85 SER HA H 85 4.401 4.772 -0.371 1
1 1099 . 20 1 1 A 85 85 SER C C 85 173.380 173.152 0.228 1
1 1100 . 20 1 1 A 85 85 SER CA C 85 58.230 57.368 0.862 1
1 1101 . 20 1 1 A 85 85 SER CB C 85 64.290 65.482 -1.192 1
1 1102 . 20 1 1 A 85 85 SER N N 85 111.370 118.190 -6.820 1
1 1103 . 20 1 1 A 86 86 ASP H H 86 8.517 8.791 -0.274 1
1 1104 . 20 1 1 A 86 86 ASP HA H 86 4.692 4.766 -0.074 1
1 1107 . 20 1 1 A 86 86 ASP C C 86 175.860 177.304 -1.444 1
1 1108 . 20 1 1 A 86 86 ASP CA C 86 54.150 55.535 -1.385 1
1 1109 . 20 1 1 A 86 86 ASP CB C 86 41.360 43.318 -1.958 1
1 1110 . 20 1 1 A 86 86 ASP N N 86 123.320 122.323 0.997 1
1 1111 . 20 1 1 A 87 87 ASP H H 87 8.412 8.427 -0.015 1
1 1112 . 20 1 1 A 87 87 ASP HA H 87 4.529 4.562 -0.033 1
1 1115 . 20 1 1 A 87 87 ASP C C 87 175.270 176.539 -1.269 1
1 1116 . 20 1 1 A 87 87 ASP CA C 87 54.870 56.353 -1.483 1
1 1117 . 20 1 1 A 87 87 ASP CB C 87 41.580 42.152 -0.572 1
1 1118 . 20 1 1 A 87 87 ASP N N 87 118.900 118.433 0.467 1
1 1119 . 20 1 1 A 88 88 LYS H H 88 7.869 7.659 0.210 1
1 1120 . 20 1 1 A 88 88 LYS HA H 88 4.372 4.711 -0.339 1
1 1129 . 20 1 1 A 88 88 LYS C C 88 174.870 175.220 -0.350 1
1 1130 . 20 1 1 A 88 88 LYS CA C 88 54.580 54.948 -0.368 1
1 1131 . 20 1 1 A 88 88 LYS CB C 88 34.047 35.671 -1.624 1
1 1135 . 20 1 1 A 88 88 LYS N N 88 118.310 112.838 5.472 1
1 1136 . 20 1 1 A 89 89 ILE H H 89 8.604 8.403 0.201 1
1 1137 . 20 1 1 A 89 89 ILE HA H 89 3.873 3.889 -0.016 1
1 1147 . 20 1 1 A 89 89 ILE C C 89 174.480 175.707 -1.227 1
1 1148 . 20 1 1 A 89 89 ILE CA C 89 61.890 62.285 -0.395 1
1 1149 . 20 1 1 A 89 89 ILE CB C 89 36.398 37.479 -1.081 1
1 1153 . 20 1 1 A 89 89 ILE N N 89 121.510 121.612 -0.102 1
1 1154 . 20 1 1 A 90 90 GLN H H 90 8.015 8.737 -0.722 1
1 1155 . 20 1 1 A 90 90 GLN HA H 90 5.033 4.827 0.206 1
1 1162 . 20 1 1 A 90 90 GLN CA C 90 52.110 52.977 -0.867 1
1 1163 . 20 1 1 A 90 90 GLN CB C 90 32.045 31.927 0.118 1
1 1165 . 20 1 1 A 90 90 GLN N N 90 126.430 124.171 2.259 1
1 1167 . 20 1 1 A 91 91 PRO HA H 91 4.508 4.735 -0.227 1
1 1174 . 20 1 1 A 91 91 PRO C C 91 175.210 176.503 -1.293 1
1 1175 . 20 1 1 A 91 91 PRO CA C 91 61.680 62.408 -0.728 1
1 1176 . 20 1 1 A 91 91 PRO CB C 91 32.854 32.932 -0.078 1
1 1179 . 20 1 1 A 92 92 ALA H H 92 8.014 8.329 -0.315 1
1 1180 . 20 1 1 A 92 92 ALA HA H 92 3.931 4.146 -0.215 1
1 1184 . 20 1 1 A 92 92 ALA CA C 92 55.270 53.430 1.840 1
1 1185 . 20 1 1 A 92 92 ALA CB C 92 18.838 18.887 -0.049 1
1 1186 . 20 1 1 A 92 92 ALA N N 92 121.420 122.052 -0.632 1
1 1187 . 20 1 1 A 93 93 SER H H 93 7.391 7.705 -0.314 1
1 1188 . 20 1 1 A 93 93 SER HA H 93 4.223 4.737 -0.514 1
1 1191 . 20 1 1 A 93 93 SER C C 93 171.670 172.513 -0.843 1
1 1192 . 20 1 1 A 93 93 SER CA C 93 57.240 57.645 -0.405 1
1 1193 . 20 1 1 A 93 93 SER CB C 93 63.620 66.478 -2.858 1
1 1194 . 20 1 1 A 93 93 SER N N 93 105.210 111.657 -6.447 1
1 1195 . 20 1 1 A 94 94 ALA H H 94 8.276 8.433 -0.157 1
1 1196 . 20 1 1 A 94 94 ALA HA H 94 4.113 4.686 -0.573 1
1 1200 . 20 1 1 A 94 94 ALA C C 94 177.150 176.988 0.162 1
1 1201 . 20 1 1 A 94 94 ALA CA C 94 53.810 52.291 1.519 1
1 1202 . 20 1 1 A 94 94 ALA CB C 94 19.219 18.791 0.428 1
1 1203 . 20 1 1 A 94 94 ALA N N 94 117.972 125.066 -7.094 1
1 1204 . 20 1 1 A 95 95 VAL H H 95 7.886 8.662 -0.776 1
1 1205 . 20 1 1 A 95 95 VAL HA H 95 5.037 4.927 0.110 1
1 1213 . 20 1 1 A 95 95 VAL C C 95 174.060 174.983 -0.923 1
1 1214 . 20 1 1 A 95 95 VAL CA C 95 57.510 60.016 -2.506 1
1 1215 . 20 1 1 A 95 95 VAL CB C 95 35.106 34.187 0.919 1
1 1218 . 20 1 1 A 95 95 VAL N N 95 108.410 119.354 -10.944 1
1 1219 . 20 1 1 A 96 96 ASN H H 96 9.178 8.677 0.501 1
1 1220 . 20 1 1 A 96 96 ASN HA H 96 4.897 4.797 0.100 1
1 1225 . 20 1 1 A 96 96 ASN C C 96 176.600 174.708 1.892 1
1 1226 . 20 1 1 A 96 96 ASN CA C 96 50.790 53.059 -2.269 1
1 1227 . 20 1 1 A 96 96 ASN CB C 96 39.637 38.655 0.982 1
1 1228 . 20 1 1 A 96 96 ASN N N 96 121.250 123.475 -2.225 1
1 1230 . 20 1 1 A 97 97 VAL H H 97 8.503 8.549 -0.046 1
1 1231 . 20 1 1 A 97 97 VAL HA H 97 4.421 4.449 -0.028 1
1 1239 . 20 1 1 A 97 97 VAL C C 97 176.450 176.432 0.018 1
1 1240 . 20 1 1 A 97 97 VAL CA C 97 66.030 62.010 4.020 1
1 1241 . 20 1 1 A 97 97 VAL CB C 97 30.552 28.892 1.660 1
1 1244 . 20 1 1 A 97 97 VAL N N 97 129.670 127.319 2.351 1
1 1245 . 20 1 1 A 98 98 ILE H H 98 8.129 7.884 0.245 1
1 1246 . 20 1 1 A 98 98 ILE HA H 98 4.628 3.699 0.929 1
1 1256 . 20 1 1 A 98 98 ILE C C 98 174.270 175.699 -1.429 1
1 1257 . 20 1 1 A 98 98 ILE CA C 98 61.240 61.657 -0.417 1
1 1258 . 20 1 1 A 98 98 ILE CB C 98 39.812 37.765 2.047 1
1 1262 . 20 1 1 A 98 98 ILE N N 98 119.500 121.118 -1.618 1
1 1263 . 20 1 1 A 99 99 GLY H H 99 7.668 7.976 -0.308 1
1 1264 . 20 1 1 A 99 99 GLY HA2 H 99 4.435 4.165 0.270 1
1 1265 . 20 1 1 A 99 99 GLY HA3 H 99 4.637 4.196 0.441 1
1 1266 . 20 1 1 A 99 99 GLY C C 99 172.410 172.062 0.348 1
1 1267 . 20 1 1 A 99 99 GLY CA C 99 46.906 44.310 2.596 1
1 1268 . 20 1 1 A 99 99 GLY N N 99 107.230 110.899 -3.669 1
1 1269 . 20 1 1 A 100 100 LYS H H 100 8.347 8.815 -0.468 1
1 1270 . 20 1 1 A 100 100 LYS HA H 100 5.540 5.077 0.463 1
1 1279 . 20 1 1 A 100 100 LYS C C 100 175.740 174.765 0.975 1
1 1280 . 20 1 1 A 100 100 LYS CA C 100 54.150 54.791 -0.641 1
1 1281 . 20 1 1 A 100 100 LYS CB C 100 37.900 36.311 1.589 1
1 1285 . 20 1 1 A 100 100 LYS N N 100 119.730 121.065 -1.335 1
1 1286 . 20 1 1 A 101 101 ILE H H 101 9.542 9.159 0.383 1
1 1287 . 20 1 1 A 101 101 ILE HA H 101 4.184 4.253 -0.069 1
1 1297 . 20 1 1 A 101 101 ILE C C 101 176.010 177.102 -1.092 1
1 1298 . 20 1 1 A 101 101 ILE CA C 101 62.940 61.608 1.332 1
1 1299 . 20 1 1 A 101 101 ILE CB C 101 39.212 37.084 2.128 1
1 1303 . 20 1 1 A 101 101 ILE N N 101 124.050 127.462 -3.412 1
1 1304 . 20 1 1 A 102 102 VAL H H 102 8.728 7.919 0.809 1
1 1305 . 20 1 1 A 102 102 VAL HA H 102 4.591 4.114 0.477 1
1 1313 . 20 1 1 A 102 102 VAL C C 102 175.730 175.743 -0.013 1
1 1314 . 20 1 1 A 102 102 VAL CA C 102 62.030 64.022 -1.992 1
1 1315 . 20 1 1 A 102 102 VAL CB C 102 33.307 32.158 1.149 1
1 1318 . 20 1 1 A 102 102 VAL N N 102 121.420 125.692 -4.272 1
1 1319 . 20 1 1 A 103 103 GLU H H 103 7.912 7.737 0.175 1
1 1320 . 20 1 1 A 103 103 GLU HA H 103 4.661 4.569 0.092 1
1 1325 . 20 1 1 A 103 103 GLU C C 103 176.520 175.990 0.530 1
1 1326 . 20 1 1 A 103 103 GLU CA C 103 56.550 55.389 1.161 1
1 1327 . 20 1 1 A 103 103 GLU CB C 103 34.180 33.361 0.819 1
1 1329 . 20 1 1 A 103 103 GLU N N 103 120.750 120.028 0.722 1
1 1330 . 20 1 1 A 104 104 GLY H H 104 8.934 8.769 0.165 1
1 1331 . 20 1 1 A 104 104 GLY HA2 H 104 3.932 4.014 -0.082 1
1 1332 . 20 1 1 A 104 104 GLY HA3 H 104 4.345 4.029 0.316 1
1 1333 . 20 1 1 A 104 104 GLY C C 104 175.230 175.369 -0.139 1
1 1334 . 20 1 1 A 104 104 GLY CA C 104 46.616 46.432 0.184 1
1 1335 . 20 1 1 A 104 104 GLY N N 104 111.140 111.251 -0.111 1
1 1336 . 20 1 1 A 105 105 LEU H H 105 8.158 7.864 0.294 1
1 1337 . 20 1 1 A 105 105 LEU HA H 105 3.702 3.847 -0.145 1
1 1347 . 20 1 1 A 105 105 LEU C C 105 179.250 178.526 0.724 1
1 1348 . 20 1 1 A 105 105 LEU CA C 105 59.400 58.054 1.346 1
1 1349 . 20 1 1 A 105 105 LEU CB C 105 42.743 42.343 0.400 1
1 1353 . 20 1 1 A 105 105 LEU N N 105 121.390 122.109 -0.719 1
1 1354 . 20 1 1 A 106 106 GLU H H 106 8.944 8.386 0.558 1
1 1355 . 20 1 1 A 106 106 GLU HA H 106 3.978 4.267 -0.289 1
1 1360 . 20 1 1 A 106 106 GLU C C 106 178.120 178.554 -0.434 1
1 1361 . 20 1 1 A 106 106 GLU CA C 106 58.720 59.030 -0.310 1
1 1362 . 20 1 1 A 106 106 GLU CB C 106 28.920 29.099 -0.179 1
1 1364 . 20 1 1 A 106 106 GLU N N 106 113.860 117.682 -3.822 1
1 1365 . 20 1 1 A 107 107 ASP H H 107 7.538 8.022 -0.484 1
1 1366 . 20 1 1 A 107 107 ASP HA H 107 4.344 4.391 -0.047 1
1 1369 . 20 1 1 A 107 107 ASP C C 107 178.190 177.546 0.644 1
1 1370 . 20 1 1 A 107 107 ASP CA C 107 55.780 56.283 -0.503 1
1 1371 . 20 1 1 A 107 107 ASP CB C 107 41.191 40.547 0.644 1
1 1372 . 20 1 1 A 107 107 ASP N N 107 119.620 119.355 0.265 1
1 1373 . 20 1 1 A 108 108 LEU H H 108 7.115 7.681 -0.566 1
1 1374 . 20 1 1 A 108 108 LEU HA H 108 3.357 3.654 -0.297 1
1 1384 . 20 1 1 A 108 108 LEU C C 108 177.920 178.689 -0.769 1
1 1385 . 20 1 1 A 108 108 LEU CA C 108 57.000 56.232 0.768 1
1 1386 . 20 1 1 A 108 108 LEU CB C 108 38.445 40.697 -2.252 1
1 1390 . 20 1 1 A 108 108 LEU N N 108 117.551 117.087 0.464 1
1 1391 . 20 1 1 A 109 109 LYS H H 109 7.179 7.929 -0.750 1
1 1392 . 20 1 1 A 109 109 LYS HA H 109 3.879 4.054 -0.175 1
1 1401 . 20 1 1 A 109 109 LYS C C 109 176.650 179.425 -2.775 1
1 1402 . 20 1 1 A 109 109 LYS CA C 109 57.792 60.115 -2.323 1
1 1403 . 20 1 1 A 109 109 LYS CB C 109 32.184 32.081 0.103 1
1 1407 . 20 1 1 A 109 109 LYS N N 109 115.080 119.164 -4.084 1
1 1408 . 20 1 1 A 110 110 LYS H H 110 7.364 8.171 -0.807 1
1 1409 . 20 1 1 A 110 110 LYS HA H 110 4.016 4.143 -0.127 1
1 1418 . 20 1 1 A 110 110 LYS C C 110 175.890 177.036 -1.146 1
1 1419 . 20 1 1 A 110 110 LYS CA C 110 56.550 58.497 -1.947 1
1 1420 . 20 1 1 A 110 110 LYS CB C 110 32.972 31.752 1.220 1
1 1424 . 20 1 1 A 110 110 LYS N N 110 116.720 117.024 -0.304 1
1 1425 . 20 1 1 A 111 111 ILE H H 111 6.626 7.053 -0.427 1
1 1426 . 20 1 1 A 111 111 ILE HA H 111 3.531 3.980 -0.449 1
1 1436 . 20 1 1 A 111 111 ILE C C 111 176.180 175.526 0.654 1
1 1437 . 20 1 1 A 111 111 ILE CA C 111 59.950 61.196 -1.246 1
1 1438 . 20 1 1 A 111 111 ILE CB C 111 34.946 37.743 -2.797 1
1 1442 . 20 1 1 A 111 111 ILE N N 111 117.000 121.766 -4.766 1
1 1443 . 20 1 1 A 112 112 LYS H H 112 8.388 8.568 -0.180 1
1 1444 . 20 1 1 A 112 112 LYS HA H 112 4.356 4.827 -0.471 1
1 1453 . 20 1 1 A 112 112 LYS C C 112 175.750 176.040 -0.290 1
1 1454 . 20 1 1 A 112 112 LYS CA C 112 54.430 54.258 0.172 1
1 1455 . 20 1 1 A 112 112 LYS CB C 112 33.936 35.323 -1.387 1
1 1459 . 20 1 1 A 112 112 LYS N N 112 128.240 122.660 5.580 1
1 1460 . 20 1 1 A 113 113 ASP H H 113 8.103 8.743 -0.640 1
1 1461 . 20 1 1 A 113 113 ASP HA H 113 4.026 4.707 -0.681 1
1 1464 . 20 1 1 A 113 113 ASP C C 113 177.630 175.862 1.768 1
1 1465 . 20 1 1 A 113 113 ASP CA C 113 56.660 53.162 3.498 1
1 1466 . 20 1 1 A 113 113 ASP CB C 113 42.033 39.749 2.284 1
1 1467 . 20 1 1 A 113 113 ASP N N 113 119.040 121.689 -2.649 1
1 1468 . 20 1 1 A 114 114 GLY H H 114 8.635 7.609 1.026 1
1 1469 . 20 1 1 A 114 114 GLY HA2 H 114 3.547 4.136 -0.589 1
1 1470 . 20 1 1 A 114 114 GLY HA3 H 114 4.229 4.137 0.092 1
1 1471 . 20 1 1 A 114 114 GLY C C 114 174.640 174.146 0.494 1
1 1472 . 20 1 1 A 114 114 GLY CA C 114 45.403 45.562 -0.159 1
1 1473 . 20 1 1 A 114 114 GLY N N 114 113.170 106.882 6.288 1
1 1474 . 20 1 1 A 115 115 GLU H H 115 7.346 8.635 -1.289 1
1 1475 . 20 1 1 A 115 115 GLU HA H 115 4.113 4.669 -0.556 1
1 1480 . 20 1 1 A 115 115 GLU C C 115 175.840 175.467 0.373 1
1 1481 . 20 1 1 A 115 115 GLU CA C 115 58.180 55.409 2.771 1
1 1482 . 20 1 1 A 115 115 GLU CB C 115 30.902 30.359 0.543 1
1 1484 . 20 1 1 A 115 115 GLU N N 115 119.440 121.299 -1.859 1
1 1485 . 20 1 1 A 116 116 LYS H H 116 9.107 7.927 1.180 1
1 1486 . 20 1 1 A 116 116 LYS HA H 116 4.529 3.961 0.568 1
1 1495 . 20 1 1 A 116 116 LYS C C 116 176.050 175.092 0.958 1
1 1496 . 20 1 1 A 116 116 LYS CA C 116 56.820 56.835 -0.015 1
1 1497 . 20 1 1 A 116 116 LYS CB C 116 33.358 31.160 2.198 1
1 1501 . 20 1 1 A 116 116 LYS N N 116 121.800 116.073 5.727 1
1 1502 . 20 1 1 A 117 117 VAL H H 117 7.860 7.751 0.109 1
1 1503 . 20 1 1 A 117 117 VAL HA H 117 4.668 4.133 0.535 1
1 1511 . 20 1 1 A 117 117 VAL C C 117 171.630 174.632 -3.002 1
1 1512 . 20 1 1 A 117 117 VAL CA C 117 57.440 62.328 -4.888 1
1 1513 . 20 1 1 A 117 117 VAL CB C 117 34.614 32.096 2.518 1
1 1516 . 20 1 1 A 117 117 VAL N N 117 118.940 119.463 -0.523 1
1 1517 . 20 1 1 A 118 118 ALA H H 118 8.310 8.627 -0.317 1
1 1518 . 20 1 1 A 118 118 ALA HA H 118 4.506 4.895 -0.389 1
1 1522 . 20 1 1 A 118 118 ALA C C 118 174.660 175.327 -0.667 1
1 1523 . 20 1 1 A 118 118 ALA CA C 118 50.370 50.016 0.354 1
1 1524 . 20 1 1 A 118 118 ALA CB C 118 20.250 21.151 -0.901 1
1 1525 . 20 1 1 A 118 118 ALA N N 118 130.190 128.888 1.302 1
1 1526 . 20 1 1 A 119 119 VAL H H 119 8.295 8.921 -0.626 1
1 1527 . 20 1 1 A 119 119 VAL HA H 119 4.096 4.103 -0.007 1
1 1535 . 20 1 1 A 119 119 VAL C C 119 175.320 175.608 -0.288 1
1 1536 . 20 1 1 A 119 119 VAL CA C 119 61.570 61.452 0.118 1
1 1537 . 20 1 1 A 119 119 VAL CB C 119 31.445 30.779 0.666 1
1 1540 . 20 1 1 A 119 119 VAL N N 119 123.160 123.712 -0.552 1
1 1541 . 20 1 1 A 120 120 ARG H H 120 8.596 8.420 0.176 1
1 1542 . 20 1 1 A 120 120 ARG HA H 120 4.534 4.527 0.007 1
1 1550 . 20 1 1 A 120 120 ARG C C 120 175.260 176.415 -1.155 1
1 1551 . 20 1 1 A 120 120 ARG CA C 120 53.740 53.650 0.090 1
1 1552 . 20 1 1 A 120 120 ARG CB C 120 34.359 33.631 0.728 1
1 1555 . 20 1 1 A 120 120 ARG N N 120 123.692 127.798 -4.106 1
1 1557 . 20 1 1 A 121 121 PHE H H 121 8.585 8.701 -0.116 1
1 1558 . 20 1 1 A 121 121 PHE HA H 121 4.591 4.523 0.068 1
1 1566 . 20 1 1 A 121 121 PHE C C 121 176.430 175.632 0.798 1
1 1567 . 20 1 1 A 121 121 PHE CA C 121 60.370 59.607 0.763 1
1 1568 . 20 1 1 A 121 121 PHE CB C 121 38.713 38.836 -0.123 1
1 1572 . 20 1 1 A 121 121 PHE N N 121 120.110 121.513 -1.403 1
1 1573 . 20 1 1 A 122 122 ALA H H 122 7.896 7.472 0.424 1
1 1574 . 20 1 1 A 122 122 ALA HA H 122 4.304 4.435 -0.131 1
1 1578 . 20 1 1 A 122 122 ALA C C 122 177.430 175.104 2.326 1
1 1579 . 20 1 1 A 122 122 ALA CA C 122 52.050 51.548 0.502 1
1 1580 . 20 1 1 A 122 122 ALA CB C 122 19.865 21.319 -1.454 1
1 1581 . 20 1 1 A 122 122 ALA N N 122 123.820 117.624 6.196 1
1 1582 . 20 1 1 A 123 123 SER H H 123 8.675 8.959 -0.284 1
1 1583 . 20 1 1 A 123 123 SER HA H 123 4.372 4.811 -0.439 1
1 1586 . 20 1 1 A 123 123 SER C C 123 173.630 173.287 0.343 1
1 1587 . 20 1 1 A 123 123 SER CA C 123 58.750 57.233 1.517 1
1 1588 . 20 1 1 A 123 123 SER CB C 123 63.870 63.939 -0.069 1
1 1589 . 20 1 1 A 123 123 SER N N 123 117.330 113.755 3.575 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 110 1.218 1
2 1 1 1 "RMS(OBS, PRED)" CA 122 1.375 1
3 1 1 1 "RMS(OBS, PRED)" CB 113 1.508 1
4 1 1 1 "RMS(OBS, PRED)" H 113 0.587 1
5 1 1 1 "RMS(OBS, PRED)" HA 131 0.390 1
6 1 1 1 "RMS(OBS, PRED)" N 113 3.202 1
7 1 2 1 "RMS(OBS, PRED)" C 110 1.381 1
8 1 2 1 "RMS(OBS, PRED)" CA 122 1.450 1
9 1 2 1 "RMS(OBS, PRED)" CB 113 1.628 1
10 1 2 1 "RMS(OBS, PRED)" H 113 0.590 1
11 1 2 1 "RMS(OBS, PRED)" HA 131 0.418 1
12 1 2 1 "RMS(OBS, PRED)" N 113 3.756 1
13 1 3 1 "RMS(OBS, PRED)" C 110 1.317 1
14 1 3 1 "RMS(OBS, PRED)" CA 122 1.319 1
15 1 3 1 "RMS(OBS, PRED)" CB 113 1.525 1
16 1 3 1 "RMS(OBS, PRED)" H 113 0.557 1
17 1 3 1 "RMS(OBS, PRED)" HA 131 0.406 1
18 1 3 1 "RMS(OBS, PRED)" N 113 3.455 1
19 1 4 1 "RMS(OBS, PRED)" C 110 1.257 1
20 1 4 1 "RMS(OBS, PRED)" CA 122 1.359 1
21 1 4 1 "RMS(OBS, PRED)" CB 113 1.537 1
22 1 4 1 "RMS(OBS, PRED)" H 113 0.578 1
23 1 4 1 "RMS(OBS, PRED)" HA 131 0.393 1
24 1 4 1 "RMS(OBS, PRED)" N 113 3.592 1
25 1 5 1 "RMS(OBS, PRED)" C 110 1.208 1
26 1 5 1 "RMS(OBS, PRED)" CA 122 1.377 1
27 1 5 1 "RMS(OBS, PRED)" CB 113 1.597 1
28 1 5 1 "RMS(OBS, PRED)" H 113 0.606 1
29 1 5 1 "RMS(OBS, PRED)" HA 131 0.418 1
30 1 5 1 "RMS(OBS, PRED)" N 113 3.252 1
31 1 6 1 "RMS(OBS, PRED)" C 110 1.236 1
32 1 6 1 "RMS(OBS, PRED)" CA 122 1.403 1
33 1 6 1 "RMS(OBS, PRED)" CB 113 1.595 1
34 1 6 1 "RMS(OBS, PRED)" H 113 0.588 1
35 1 6 1 "RMS(OBS, PRED)" HA 131 0.410 1
36 1 6 1 "RMS(OBS, PRED)" N 113 3.228 1
37 1 7 1 "RMS(OBS, PRED)" C 110 1.258 1
38 1 7 1 "RMS(OBS, PRED)" CA 122 1.416 1
39 1 7 1 "RMS(OBS, PRED)" CB 113 1.694 1
40 1 7 1 "RMS(OBS, PRED)" H 113 0.589 1
41 1 7 1 "RMS(OBS, PRED)" HA 131 0.426 1
42 1 7 1 "RMS(OBS, PRED)" N 113 3.601 1
43 1 8 1 "RMS(OBS, PRED)" C 110 1.247 1
44 1 8 1 "RMS(OBS, PRED)" CA 122 1.383 1
45 1 8 1 "RMS(OBS, PRED)" CB 113 1.413 1
46 1 8 1 "RMS(OBS, PRED)" H 113 0.569 1
47 1 8 1 "RMS(OBS, PRED)" HA 131 0.442 1
48 1 8 1 "RMS(OBS, PRED)" N 113 3.577 1
49 1 9 1 "RMS(OBS, PRED)" C 110 1.346 1
50 1 9 1 "RMS(OBS, PRED)" CA 122 1.421 1
51 1 9 1 "RMS(OBS, PRED)" CB 113 1.585 1
52 1 9 1 "RMS(OBS, PRED)" H 113 0.561 1
53 1 9 1 "RMS(OBS, PRED)" HA 131 0.406 1
54 1 9 1 "RMS(OBS, PRED)" N 113 3.319 1
55 1 10 1 "RMS(OBS, PRED)" C 110 1.321 1
56 1 10 1 "RMS(OBS, PRED)" CA 122 1.374 1
57 1 10 1 "RMS(OBS, PRED)" CB 113 1.565 1
58 1 10 1 "RMS(OBS, PRED)" H 113 0.582 1
59 1 10 1 "RMS(OBS, PRED)" HA 131 0.401 1
60 1 10 1 "RMS(OBS, PRED)" N 113 3.722 1
61 1 11 1 "RMS(OBS, PRED)" C 110 1.282 1
62 1 11 1 "RMS(OBS, PRED)" CA 122 1.412 1
63 1 11 1 "RMS(OBS, PRED)" CB 113 1.553 1
64 1 11 1 "RMS(OBS, PRED)" H 113 0.600 1
65 1 11 1 "RMS(OBS, PRED)" HA 131 0.423 1
66 1 11 1 "RMS(OBS, PRED)" N 113 3.851 1
67 1 12 1 "RMS(OBS, PRED)" C 110 1.245 1
68 1 12 1 "RMS(OBS, PRED)" CA 122 1.400 1
69 1 12 1 "RMS(OBS, PRED)" CB 113 1.615 1
70 1 12 1 "RMS(OBS, PRED)" H 113 0.587 1
71 1 12 1 "RMS(OBS, PRED)" HA 131 0.410 1
72 1 12 1 "RMS(OBS, PRED)" N 113 3.248 1
73 1 13 1 "RMS(OBS, PRED)" C 110 1.206 1
74 1 13 1 "RMS(OBS, PRED)" CA 122 1.331 1
75 1 13 1 "RMS(OBS, PRED)" CB 113 1.519 1
76 1 13 1 "RMS(OBS, PRED)" H 113 0.585 1
77 1 13 1 "RMS(OBS, PRED)" HA 131 0.416 1
78 1 13 1 "RMS(OBS, PRED)" N 113 3.715 1
79 1 14 1 "RMS(OBS, PRED)" C 110 1.252 1
80 1 14 1 "RMS(OBS, PRED)" CA 122 1.438 1
81 1 14 1 "RMS(OBS, PRED)" CB 113 1.512 1
82 1 14 1 "RMS(OBS, PRED)" H 113 0.585 1
83 1 14 1 "RMS(OBS, PRED)" HA 131 0.425 1
84 1 14 1 "RMS(OBS, PRED)" N 113 3.483 1
85 1 15 1 "RMS(OBS, PRED)" C 110 1.345 1
86 1 15 1 "RMS(OBS, PRED)" CA 122 1.376 1
87 1 15 1 "RMS(OBS, PRED)" CB 113 1.460 1
88 1 15 1 "RMS(OBS, PRED)" H 113 0.605 1
89 1 15 1 "RMS(OBS, PRED)" HA 131 0.419 1
90 1 15 1 "RMS(OBS, PRED)" N 113 3.512 1
91 1 16 1 "RMS(OBS, PRED)" C 110 1.239 1
92 1 16 1 "RMS(OBS, PRED)" CA 122 1.400 1
93 1 16 1 "RMS(OBS, PRED)" CB 113 1.480 1
94 1 16 1 "RMS(OBS, PRED)" H 113 0.583 1
95 1 16 1 "RMS(OBS, PRED)" HA 131 0.412 1
96 1 16 1 "RMS(OBS, PRED)" N 113 3.689 1
97 1 17 1 "RMS(OBS, PRED)" C 110 1.199 1
98 1 17 1 "RMS(OBS, PRED)" CA 122 1.469 1
99 1 17 1 "RMS(OBS, PRED)" CB 113 1.382 1
100 1 17 1 "RMS(OBS, PRED)" H 113 0.596 1
101 1 17 1 "RMS(OBS, PRED)" HA 131 0.426 1
102 1 17 1 "RMS(OBS, PRED)" N 113 3.408 1
103 1 18 1 "RMS(OBS, PRED)" C 110 1.367 1
104 1 18 1 "RMS(OBS, PRED)" CA 122 1.421 1
105 1 18 1 "RMS(OBS, PRED)" CB 113 1.522 1
106 1 18 1 "RMS(OBS, PRED)" H 113 0.570 1
107 1 18 1 "RMS(OBS, PRED)" HA 131 0.415 1
108 1 18 1 "RMS(OBS, PRED)" N 113 3.769 1
109 1 19 1 "RMS(OBS, PRED)" C 110 1.336 1
110 1 19 1 "RMS(OBS, PRED)" CA 122 1.493 1
111 1 19 1 "RMS(OBS, PRED)" CB 113 1.519 1
112 1 19 1 "RMS(OBS, PRED)" H 113 0.555 1
113 1 19 1 "RMS(OBS, PRED)" HA 131 0.412 1
114 1 19 1 "RMS(OBS, PRED)" N 113 3.514 1
115 1 20 1 "RMS(OBS, PRED)" C 110 1.260 1
116 1 20 1 "RMS(OBS, PRED)" CA 122 1.398 1
117 1 20 1 "RMS(OBS, PRED)" CB 113 1.431 1
118 1 20 1 "RMS(OBS, PRED)" H 113 0.583 1
119 1 20 1 "RMS(OBS, PRED)" HA 131 0.410 1
120 1 20 1 "RMS(OBS, PRED)" N 113 3.187 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 14 . 1 1 A 2 2 ARG H H 2 9.247 8.734 0.513 2
1 15 . 1 1 A 2 2 ARG HA H 2 5.249 4.649 0.600 2
1 23 . 1 1 A 2 2 ARG C C 2 176.020 175.448 0.572 2
1 24 . 1 1 A 2 2 ARG CA C 2 56.360 56.486 -0.126 2
1 25 . 1 1 A 2 2 ARG CB C 2 31.953 31.771 0.182 2
1 28 . 1 1 A 2 2 ARG N N 2 129.420 126.525 2.895 2
1 30 . 1 1 A 3 3 VAL H H 3 9.361 8.470 0.891 2
1 31 . 1 1 A 3 3 VAL HA H 3 4.464 4.952 -0.488 2
1 39 . 1 1 A 3 3 VAL C C 3 173.160 174.056 -0.896 2
1 40 . 1 1 A 3 3 VAL CA C 3 61.330 60.664 0.666 2
1 41 . 1 1 A 3 3 VAL CB C 3 36.251 35.669 0.582 2
1 44 . 1 1 A 3 3 VAL N N 3 126.750 120.581 6.169 2
1 45 . 1 1 A 4 4 GLU H H 4 9.294 9.265 0.029 2
1 46 . 1 1 A 4 4 GLU HA H 4 4.807 5.067 -0.260 2
1 51 . 1 1 A 4 4 GLU C C 4 173.020 174.909 -1.889 2
1 52 . 1 1 A 4 4 GLU CA C 4 54.890 54.911 -0.021 2
1 53 . 1 1 A 4 4 GLU CB C 4 33.146 32.666 0.480 2
1 55 . 1 1 A 4 4 GLU N N 4 128.550 127.750 0.800 2
1 56 . 1 1 A 5 5 LEU H H 5 8.685 9.211 -0.526 2
1 57 . 1 1 A 5 5 LEU HA H 5 4.547 4.545 0.002 2
1 67 . 1 1 A 5 5 LEU C C 5 173.750 174.996 -1.246 2
1 68 . 1 1 A 5 5 LEU CA C 5 52.450 53.483 -1.033 2
1 69 . 1 1 A 5 5 LEU CB C 5 41.998 42.473 -0.475 2
1 73 . 1 1 A 5 5 LEU N N 5 124.490 127.442 -2.952 2
1 74 . 1 1 A 6 6 LEU H H 6 8.608 8.655 -0.047 2
1 75 . 1 1 A 6 6 LEU HA H 6 4.502 4.698 -0.196 2
1 85 . 1 1 A 6 6 LEU C C 6 176.550 175.126 1.424 2
1 86 . 1 1 A 6 6 LEU CA C 6 53.790 53.533 0.257 2
1 87 . 1 1 A 6 6 LEU CB C 6 42.240 43.352 -1.112 2
1 91 . 1 1 A 6 6 LEU N N 6 123.330 126.023 -2.693 2
1 92 . 1 1 A 7 7 PHE H H 7 8.344 8.988 -0.644 2
1 93 . 1 1 A 7 7 PHE HA H 7 5.378 4.851 0.527 2
1 101 . 1 1 A 7 7 PHE C C 7 175.050 176.203 -1.153 2
1 102 . 1 1 A 7 7 PHE CA C 7 55.830 56.927 -1.097 2
1 103 . 1 1 A 7 7 PHE CB C 7 39.383 42.698 -3.315 2
1 108 . 1 1 A 7 7 PHE N N 7 125.190 122.728 2.462 2
1 109 . 1 1 A 8 8 GLU H H 8 8.226 9.096 -0.870 2
1 110 . 1 1 A 8 8 GLU HA H 8 4.266 4.168 0.098 2
1 115 . 1 1 A 8 8 GLU C C 8 180.740 177.524 3.216 2
1 116 . 1 1 A 8 8 GLU CA C 8 59.530 59.321 0.209 2
1 117 . 1 1 A 8 8 GLU CB C 8 29.723 29.416 0.307 2
1 119 . 1 1 A 8 8 GLU N N 8 120.100 122.622 -2.522 2
1 120 . 1 1 A 9 9 SER H H 9 9.069 8.177 0.892 2
1 121 . 1 1 A 9 9 SER HA H 9 4.467 4.558 -0.091 2
1 124 . 1 1 A 9 9 SER C C 9 173.740 174.110 -0.370 2
1 125 . 1 1 A 9 9 SER CA C 9 58.600 58.951 -0.351 2
1 126 . 1 1 A 9 9 SER CB C 9 63.120 64.263 -1.143 2
1 127 . 1 1 A 9 9 SER N N 9 112.770 113.328 -0.558 2
1 128 . 1 1 A 10 10 GLY H H 10 6.925 7.525 -0.600 2
1 129 . 1 1 A 10 10 GLY HA2 H 10 3.896 4.082 -0.186 2
1 130 . 1 1 A 10 10 GLY HA3 H 10 3.896 4.108 -0.212 2
1 131 . 1 1 A 10 10 GLY C C 10 170.040 171.280 -1.240 2
1 132 . 1 1 A 10 10 GLY CA C 10 45.466 45.990 -0.524 2
1 133 . 1 1 A 10 10 GLY N N 10 105.760 106.787 -1.027 2
1 134 . 1 1 A 11 11 LYS H H 11 9.071 8.902 0.169 2
1 135 . 1 1 A 11 11 LYS HA H 11 5.484 5.564 -0.080 2
1 144 . 1 1 A 11 11 LYS C C 11 174.230 174.405 -0.175 2
1 145 . 1 1 A 11 11 LYS CA C 11 55.460 54.942 0.518 2
1 146 . 1 1 A 11 11 LYS CB C 11 36.408 36.611 -0.203 2
1 150 . 1 1 A 11 11 LYS N N 11 118.960 117.045 1.915 2
1 151 . 1 1 A 12 12 CYS H H 12 8.917 9.146 -0.229 2
1 152 . 1 1 A 12 12 CYS HA H 12 5.083 5.251 -0.168 2
1 155 . 1 1 A 12 12 CYS C C 12 171.760 172.662 -0.902 2
1 156 . 1 1 A 12 12 CYS CA C 12 56.770 56.849 -0.079 2
1 157 . 1 1 A 12 12 CYS CB C 12 31.267 32.642 -1.375 2
1 158 . 1 1 A 12 12 CYS N N 12 115.700 118.989 -3.289 2
1 159 . 1 1 A 13 13 VAL H H 13 8.474 8.662 -0.188 2
1 160 . 1 1 A 13 13 VAL HA H 13 4.992 4.889 0.103 2
1 168 . 1 1 A 13 13 VAL C C 13 175.660 175.168 0.492 2
1 169 . 1 1 A 13 13 VAL CA C 13 61.490 60.821 0.669 2
1 170 . 1 1 A 13 13 VAL CB C 13 35.125 35.392 -0.267 2
1 173 . 1 1 A 13 13 VAL N N 13 120.490 120.152 0.338 2
1 174 . 1 1 A 14 14 ILE H H 14 9.378 9.241 0.137 2
1 175 . 1 1 A 14 14 ILE HA H 14 5.335 5.348 -0.013 2
1 185 . 1 1 A 14 14 ILE C C 14 172.570 173.663 -1.093 2
1 186 . 1 1 A 14 14 ILE CA C 14 58.540 58.954 -0.414 2
1 187 . 1 1 A 14 14 ILE CB C 14 40.755 41.458 -0.703 2
1 191 . 1 1 A 14 14 ILE N N 14 120.140 122.475 -2.335 2
1 192 . 1 1 A 15 15 ASP H H 15 9.295 9.045 0.250 2
1 193 . 1 1 A 15 15 ASP HA H 15 5.274 5.388 -0.114 2
1 196 . 1 1 A 15 15 ASP C C 15 176.510 174.692 1.818 2
1 197 . 1 1 A 15 15 ASP CA C 15 53.050 52.942 0.108 2
1 198 . 1 1 A 15 15 ASP CB C 15 44.007 43.937 0.070 2
1 199 . 1 1 A 15 15 ASP N N 15 123.200 123.944 -0.744 2
1 200 . 1 1 A 16 16 LEU H H 16 8.892 9.052 -0.160 2
1 201 . 1 1 A 16 16 LEU HA H 16 4.981 5.202 -0.221 2
1 211 . 1 1 A 16 16 LEU C C 16 175.430 175.811 -0.381 2
1 212 . 1 1 A 16 16 LEU CA C 16 53.040 53.579 -0.539 2
1 213 . 1 1 A 16 16 LEU CB C 16 45.782 45.206 0.576 2
1 217 . 1 1 A 16 16 LEU N N 16 123.620 126.089 -2.469 2
1 218 . 1 1 A 17 17 ASN H H 17 8.694 8.666 0.028 2
1 219 . 1 1 A 17 17 ASN HA H 17 4.632 4.881 -0.249 2
1 224 . 1 1 A 17 17 ASN C C 17 175.500 176.169 -0.669 2
1 225 . 1 1 A 17 17 ASN CA C 17 53.310 53.062 0.248 2
1 226 . 1 1 A 17 17 ASN CB C 17 38.508 39.701 -1.193 2
1 227 . 1 1 A 17 17 ASN N N 17 121.330 122.443 -1.113 2
1 229 . 1 1 A 18 18 GLU H H 18 8.793 9.040 -0.247 2
1 230 . 1 1 A 18 18 GLU HA H 18 3.736 4.340 -0.604 2
1 235 . 1 1 A 18 18 GLU C C 18 175.250 177.149 -1.899 2
1 236 . 1 1 A 18 18 GLU CA C 18 58.330 57.364 0.966 2
1 237 . 1 1 A 18 18 GLU CB C 18 29.947 29.316 0.631 2
1 239 . 1 1 A 18 18 GLU N N 18 124.750 125.622 -0.872 2
1 240 . 1 1 A 19 19 GLU H H 19 8.187 7.798 0.389 2
1 241 . 1 1 A 19 19 GLU HA H 19 3.885 4.290 -0.405 2
1 246 . 1 1 A 19 19 GLU C C 19 177.350 175.129 2.221 2
1 247 . 1 1 A 19 19 GLU CA C 19 57.730 56.631 1.099 2
1 248 . 1 1 A 19 19 GLU CB C 19 29.744 30.077 -0.333 2
1 250 . 1 1 A 19 19 GLU N N 19 117.280 117.875 -0.595 2
1 251 . 1 1 A 20 20 TYR H H 20 7.135 7.471 -0.337 2
1 252 . 1 1 A 20 20 TYR HA H 20 4.668 4.833 -0.165 2
1 259 . 1 1 A 20 20 TYR CA C 20 56.050 57.147 -1.097 2
1 260 . 1 1 A 20 20 TYR CB C 20 38.464 40.492 -2.028 2
1 263 . 1 1 A 20 20 TYR N N 20 117.730 119.809 -2.079 2
1 264 . 1 1 A 21 21 GLU H H 21 10.044 9.015 1.029 2
1 265 . 1 1 A 21 21 GLU HA H 21 3.807 3.918 -0.111 2
1 270 . 1 1 A 21 21 GLU C C 21 179.150 178.258 0.892 2
1 271 . 1 1 A 21 21 GLU CA C 21 60.640 60.129 0.511 2
1 272 . 1 1 A 21 21 GLU CB C 21 29.167 29.645 -0.478 2
1 274 . 1 1 A 21 21 GLU N N 21 129.480 124.834 4.646 2
1 275 . 1 1 A 22 22 VAL H H 22 9.539 8.129 1.410 2
1 276 . 1 1 A 22 22 VAL HA H 22 3.574 3.723 -0.149 2
1 284 . 1 1 A 22 22 VAL C C 22 175.490 177.756 -2.266 2
1 285 . 1 1 A 22 22 VAL CA C 22 64.470 65.461 -0.991 2
1 286 . 1 1 A 22 22 VAL CB C 22 30.858 31.180 -0.322 2
1 289 . 1 1 A 22 22 VAL N N 22 115.360 119.119 -3.759 2
1 290 . 1 1 A 23 23 VAL H H 23 6.843 8.014 -1.171 2
1 291 . 1 1 A 23 23 VAL HA H 23 3.387 3.666 -0.279 2
1 299 . 1 1 A 23 23 VAL C C 23 176.900 178.157 -1.257 2
1 300 . 1 1 A 23 23 VAL CA C 23 67.030 66.766 0.264 2
1 301 . 1 1 A 23 23 VAL CB C 23 31.499 31.658 -0.159 2
1 304 . 1 1 A 23 23 VAL N N 23 121.150 121.043 0.107 2
1 305 . 1 1 A 24 24 LYS H H 24 7.533 7.695 -0.162 2
1 306 . 1 1 A 24 24 LYS HA H 24 3.851 4.007 -0.156 2
1 315 . 1 1 A 24 24 LYS C C 24 179.820 179.330 0.490 2
1 316 . 1 1 A 24 24 LYS CA C 24 60.480 59.744 0.736 2
1 317 . 1 1 A 24 24 LYS CB C 24 32.626 32.334 0.292 2
1 321 . 1 1 A 24 24 LYS N N 24 120.120 119.490 0.631 2
1 322 . 1 1 A 25 25 LEU H H 25 7.870 8.090 -0.220 2
1 323 . 1 1 A 25 25 LEU HA H 25 4.097 4.146 -0.049 2
1 333 . 1 1 A 25 25 LEU C C 25 180.620 179.424 1.196 2
1 334 . 1 1 A 25 25 LEU CA C 25 57.440 57.488 -0.048 2
1 335 . 1 1 A 25 25 LEU CB C 25 41.717 41.489 0.228 2
1 339 . 1 1 A 25 25 LEU N N 25 117.260 119.858 -2.598 2
1 340 . 1 1 A 26 26 LEU H H 26 8.489 8.413 0.076 2
1 341 . 1 1 A 26 26 LEU HA H 26 3.703 3.942 -0.239 2
1 351 . 1 1 A 26 26 LEU C C 26 178.820 179.158 -0.338 2
1 352 . 1 1 A 26 26 LEU CA C 26 58.310 57.543 0.767 2
1 353 . 1 1 A 26 26 LEU CB C 26 42.487 41.334 1.153 2
1 357 . 1 1 A 26 26 LEU N N 26 121.760 119.405 2.355 2
1 358 . 1 1 A 27 27 LYS H H 27 8.190 8.061 0.129 2
1 359 . 1 1 A 27 27 LYS HA H 27 3.799 4.283 -0.484 2
1 368 . 1 1 A 27 27 LYS C C 27 177.470 178.849 -1.379 2
1 369 . 1 1 A 27 27 LYS CA C 27 60.480 59.401 1.079 2
1 370 . 1 1 A 27 27 LYS CB C 27 33.472 32.242 1.230 2
1 374 . 1 1 A 27 27 LYS N N 27 117.650 121.084 -3.434 2
1 375 . 1 1 A 28 28 GLU H H 28 6.841 8.032 -1.191 2
1 376 . 1 1 A 28 28 GLU HA H 28 4.238 4.235 0.003 2
1 381 . 1 1 A 28 28 GLU C C 28 177.280 177.732 -0.452 2
1 382 . 1 1 A 28 28 GLU CA C 28 57.370 58.618 -1.248 2
1 383 . 1 1 A 28 28 GLU CB C 28 30.480 29.650 0.830 2
1 385 . 1 1 A 28 28 GLU N N 28 111.940 118.087 -6.147 2
1 386 . 1 1 A 29 29 LYS H H 29 7.577 7.878 -0.301 2
1 387 . 1 1 A 29 29 LYS HA H 29 4.414 4.478 -0.064 2
1 396 . 1 1 A 29 29 LYS C C 29 175.230 175.389 -0.159 2
1 397 . 1 1 A 29 29 LYS CA C 29 53.800 55.455 -1.655 2
1 398 . 1 1 A 29 29 LYS CB C 29 33.530 32.929 0.601 2
1 402 . 1 1 A 29 29 LYS N N 29 115.460 117.201 -1.741 2
1 403 . 1 1 A 30 30 ILE H H 30 6.921 7.519 -0.598 2
1 404 . 1 1 A 30 30 ILE HA H 30 3.939 4.561 -0.622 2
1 414 . 1 1 A 30 30 ILE CA C 30 60.290 57.639 2.651 2
1 415 . 1 1 A 30 30 ILE CB C 30 39.967 39.995 -0.028 2
1 419 . 1 1 A 30 30 ILE N N 30 122.100 120.797 1.303 2
1 420 . 1 1 A 31 31 PRO HA H 31 4.840 4.822 0.018 2
1 427 . 1 1 A 31 31 PRO C C 31 175.340 176.417 -1.077 2
1 428 . 1 1 A 31 31 PRO CA C 31 62.720 62.485 0.235 2
1 429 . 1 1 A 31 31 PRO CB C 31 36.350 33.136 3.214 2
1 432 . 1 1 A 32 32 PHE H H 32 7.627 8.712 -1.085 2
1 433 . 1 1 A 32 32 PHE HA H 32 4.959 5.101 -0.142 2
1 441 . 1 1 A 32 32 PHE C C 32 171.870 172.348 -0.478 2
1 442 . 1 1 A 32 32 PHE CA C 32 56.300 56.108 0.192 2
1 443 . 1 1 A 32 32 PHE CB C 32 40.253 41.746 -1.493 2
1 447 . 1 1 A 32 32 PHE N N 32 112.880 117.415 -4.535 2
1 448 . 1 1 A 33 33 GLU H H 33 8.728 8.734 -0.006 2
1 449 . 1 1 A 33 33 GLU HA H 33 5.309 5.226 0.084 2
1 454 . 1 1 A 33 33 GLU C C 33 175.630 175.102 0.528 2
1 455 . 1 1 A 33 33 GLU CA C 33 54.450 54.676 -0.226 2
1 456 . 1 1 A 33 33 GLU CB C 33 33.814 33.168 0.646 2
1 458 . 1 1 A 33 33 GLU N N 33 118.710 119.345 -0.635 2
1 459 . 1 1 A 34 34 SER H H 34 8.964 8.462 0.502 2
1 460 . 1 1 A 34 34 SER HA H 34 4.803 4.908 -0.105 2
1 463 . 1 1 A 34 34 SER C C 34 174.560 172.813 1.747 2
1 464 . 1 1 A 34 34 SER CA C 34 55.830 56.426 -0.596 2
1 465 . 1 1 A 34 34 SER CB C 34 64.270 65.632 -1.362 2
1 466 . 1 1 A 34 34 SER N N 34 115.150 115.665 -0.515 2
1 467 . 1 1 A 35 35 VAL H H 35 8.322 8.675 -0.353 2
1 468 . 1 1 A 35 35 VAL HA H 35 4.724 4.329 0.395 2
1 476 . 1 1 A 35 35 VAL C C 35 174.950 175.537 -0.587 2
1 477 . 1 1 A 35 35 VAL CA C 35 61.350 62.163 -0.813 2
1 478 . 1 1 A 35 35 VAL CB C 35 35.676 32.598 3.078 2
1 481 . 1 1 A 35 35 VAL N N 35 121.700 122.972 -1.272 2
1 482 . 1 1 A 36 36 VAL H H 36 9.200 8.774 0.425 2
1 483 . 1 1 A 36 36 VAL HA H 36 3.999 4.373 -0.374 2
1 491 . 1 1 A 36 36 VAL C C 36 175.490 175.293 0.197 2
1 492 . 1 1 A 36 36 VAL CA C 36 63.900 62.272 1.628 2
1 493 . 1 1 A 36 36 VAL CB C 36 33.593 30.749 2.844 2
1 496 . 1 1 A 36 36 VAL N N 36 123.870 128.196 -4.326 2
1 497 . 1 1 A 37 37 ASN H H 37 8.739 8.353 0.386 2
1 498 . 1 1 A 37 37 ASN HA H 37 5.276 4.862 0.414 2
1 503 . 1 1 A 37 37 ASN C C 37 174.040 175.153 -1.113 2
1 504 . 1 1 A 37 37 ASN CA C 37 51.960 53.206 -1.246 2
1 505 . 1 1 A 37 37 ASN CB C 37 41.996 38.971 3.025 2
1 506 . 1 1 A 37 37 ASN N N 37 123.895 124.844 -0.949 2
1 508 . 1 1 A 38 38 THR H H 38 8.703 8.911 -0.208 2
1 509 . 1 1 A 38 38 THR HA H 38 5.323 5.493 -0.170 2
1 514 . 1 1 A 38 38 THR C C 38 174.910 173.536 1.374 2
1 515 . 1 1 A 38 38 THR CA C 38 59.740 59.768 -0.028 2
1 516 . 1 1 A 38 38 THR CB C 38 71.332 72.081 -0.749 2
1 518 . 1 1 A 38 38 THR N N 38 111.440 111.297 0.143 2
1 519 . 1 1 A 39 39 TRP H H 39 8.489 9.019 -0.530 2
1 520 . 1 1 A 39 39 TRP HA H 39 4.838 4.960 -0.122 2
1 529 . 1 1 A 39 39 TRP C C 39 175.270 175.969 -0.699 2
1 530 . 1 1 A 39 39 TRP CA C 39 57.040 56.844 0.196 2
1 531 . 1 1 A 39 39 TRP CB C 39 29.089 31.408 -2.319 2
1 537 . 1 1 A 39 39 TRP N N 39 125.321 124.176 1.145 2
1 539 . 1 1 A 40 40 GLY H H 40 8.596 9.126 -0.530 2
1 540 . 1 1 A 40 40 GLY HA2 H 40 3.528 3.498 0.030 2
1 541 . 1 1 A 40 40 GLY HA3 H 40 3.465 3.693 -0.228 2
1 542 . 1 1 A 40 40 GLY CA C 40 47.619 46.648 0.971 2
1 543 . 1 1 A 40 40 GLY N N 40 113.220 115.371 -2.151 2
1 544 . 1 1 A 41 41 GLU H H 41 7.870 8.417 -0.547 2
1 545 . 1 1 A 41 41 GLU HA H 41 3.717 3.681 0.036 2
1 550 . 1 1 A 41 41 GLU C C 41 171.810 174.418 -2.608 2
1 551 . 1 1 A 41 41 GLU CA C 41 55.390 56.835 -1.445 2
1 552 . 1 1 A 41 41 GLU CB C 41 26.025 28.161 -2.136 2
1 554 . 1 1 A 41 41 GLU N N 41 128.227 115.395 12.832 2
1 555 . 1 1 A 42 42 GLU H H 42 7.158 7.650 -0.492 2
1 556 . 1 1 A 42 42 GLU HA H 42 4.811 4.942 -0.131 2
1 561 . 1 1 A 42 42 GLU C C 42 175.680 174.580 1.100 2
1 562 . 1 1 A 42 42 GLU CA C 42 53.860 54.978 -1.118 2
1 563 . 1 1 A 42 42 GLU CB C 42 31.149 33.331 -2.182 2
1 565 . 1 1 A 42 42 GLU N N 42 116.880 117.567 -0.687 2
1 566 . 1 1 A 43 43 ILE H H 43 8.226 8.479 -0.253 2
1 567 . 1 1 A 43 43 ILE HA H 43 4.934 5.265 -0.331 2
1 577 . 1 1 A 43 43 ILE C C 43 174.420 174.577 -0.157 2
1 578 . 1 1 A 43 43 ILE CA C 43 59.250 60.268 -1.018 2
1 579 . 1 1 A 43 43 ILE CB C 43 43.278 41.051 2.227 2
1 583 . 1 1 A 43 43 ILE N N 43 125.120 123.970 1.150 2
1 584 . 1 1 A 44 44 TYR H H 44 9.318 8.979 0.339 2
1 585 . 1 1 A 44 44 TYR HA H 44 6.008 5.470 0.538 2
1 592 . 1 1 A 44 44 TYR C C 44 174.150 173.185 0.965 2
1 593 . 1 1 A 44 44 TYR CA C 44 55.740 55.617 0.123 2
1 594 . 1 1 A 44 44 TYR CB C 44 42.606 41.839 0.767 2
1 597 . 1 1 A 44 44 TYR N N 44 124.370 123.303 1.067 2
1 598 . 1 1 A 45 45 PHE H H 45 8.211 8.832 -0.621 2
1 599 . 1 1 A 45 45 PHE HA H 45 5.088 5.446 -0.358 2
1 607 . 1 1 A 45 45 PHE C C 45 173.730 173.230 0.500 2
1 608 . 1 1 A 45 45 PHE CA C 45 55.140 55.644 -0.504 2
1 609 . 1 1 A 45 45 PHE CB C 45 40.793 42.088 -1.295 2
1 613 . 1 1 A 45 45 PHE N N 45 114.110 117.153 -3.043 2
1 614 . 1 1 A 46 46 SER H H 46 9.523 8.786 0.737 2
1 615 . 1 1 A 46 46 SER HA H 46 4.316 4.906 -0.590 2
1 618 . 1 1 A 46 46 SER C C 46 174.360 174.193 0.167 2
1 619 . 1 1 A 46 46 SER CA C 46 59.960 57.795 2.165 2
1 620 . 1 1 A 46 46 SER CB C 46 63.980 62.650 1.330 2
1 621 . 1 1 A 46 46 SER N N 46 117.150 116.099 1.051 2
1 622 . 1 1 A 47 47 THR H H 47 8.225 8.390 -0.165 2
1 623 . 1 1 A 47 47 THR HA H 47 4.971 4.744 0.227 2
1 628 . 1 1 A 47 47 THR CA C 47 59.160 60.594 -1.435 2
1 629 . 1 1 A 47 47 THR CB C 47 70.385 68.893 1.492 2
1 631 . 1 1 A 47 47 THR N N 47 113.910 117.904 -3.994 2
1 632 . 1 1 A 48 48 PRO HA H 48 4.585 4.427 0.158 2
1 639 . 1 1 A 48 48 PRO C C 48 175.940 176.173 -0.233 2
1 640 . 1 1 A 48 48 PRO CA C 48 62.410 63.948 -1.538 2
1 641 . 1 1 A 48 48 PRO CB C 48 31.770 31.858 -0.088 2
1 644 . 1 1 A 49 49 VAL H H 49 7.458 7.518 -0.060 2
1 645 . 1 1 A 49 49 VAL HA H 49 4.178 4.175 0.003 2
1 653 . 1 1 A 49 49 VAL C C 49 174.070 175.379 -1.309 2
1 654 . 1 1 A 49 49 VAL CA C 49 60.840 61.851 -1.011 2
1 655 . 1 1 A 49 49 VAL CB C 49 34.134 32.911 1.223 2
1 658 . 1 1 A 49 49 VAL N N 49 114.800 119.167 -4.367 2
1 659 . 1 1 A 50 50 ASN H H 50 8.897 8.801 0.096 2
1 660 . 1 1 A 50 50 ASN HA H 50 4.684 5.367 -0.683 2
1 665 . 1 1 A 50 50 ASN C C 50 173.550 174.466 -0.916 2
1 666 . 1 1 A 50 50 ASN CA C 50 51.610 52.184 -0.574 2
1 667 . 1 1 A 50 50 ASN CB C 50 39.730 39.890 -0.160 2
1 668 . 1 1 A 50 50 ASN N N 50 126.400 124.601 1.799 2
1 670 . 1 1 A 51 51 VAL H H 51 7.587 8.372 -0.785 2
1 671 . 1 1 A 51 51 VAL HA H 51 4.148 4.547 -0.399 2
1 679 . 1 1 A 51 51 VAL C C 51 174.350 175.422 -1.072 2
1 680 . 1 1 A 51 51 VAL CA C 51 61.280 60.720 0.560 2
1 681 . 1 1 A 51 51 VAL CB C 51 35.206 34.320 0.886 2
1 684 . 1 1 A 51 51 VAL N N 51 122.670 121.409 1.261 2
1 685 . 1 1 A 52 52 GLN H H 52 8.337 8.777 -0.440 2
1 686 . 1 1 A 52 52 GLN HA H 52 4.094 4.702 -0.608 2
1 693 . 1 1 A 52 52 GLN C C 52 176.240 175.357 0.883 2
1 694 . 1 1 A 52 52 GLN CA C 52 56.560 55.418 1.142 2
1 695 . 1 1 A 52 52 GLN CB C 52 29.745 29.708 0.037 2
1 697 . 1 1 A 52 52 GLN N N 52 122.670 122.884 -0.214 2
1 699 . 1 1 A 53 53 LYS H H 53 7.363 7.545 -0.182 2
1 700 . 1 1 A 53 53 LYS HA H 53 3.994 4.578 -0.584 2
1 709 . 1 1 A 53 53 LYS C C 53 176.010 175.403 0.607 2
1 710 . 1 1 A 53 53 LYS CA C 53 56.960 56.052 0.908 2
1 711 . 1 1 A 53 53 LYS CB C 53 33.000 33.756 -0.756 2
1 715 . 1 1 A 53 53 LYS N N 53 119.940 122.316 -2.376 2
1 716 . 1 1 A 54 54 MET H H 54 8.797 8.682 0.115 2
1 717 . 1 1 A 54 54 MET HA H 54 4.449 5.002 -0.553 2
1 725 . 1 1 A 54 54 MET C C 54 174.630 175.675 -1.045 2
1 726 . 1 1 A 54 54 MET CA C 54 54.530 53.732 0.798 2
1 727 . 1 1 A 54 54 MET CB C 54 36.912 34.641 2.272 2
1 730 . 1 1 A 54 54 MET N N 54 124.720 124.415 0.305 2
1 731 . 1 1 A 55 55 GLU H H 55 9.773 8.765 1.008 2
1 732 . 1 1 A 55 55 GLU HA H 55 4.029 4.495 -0.466 2
1 737 . 1 1 A 55 55 GLU C C 55 176.930 176.953 -0.023 2
1 738 . 1 1 A 55 55 GLU CA C 55 59.910 57.820 2.090 2
1 739 . 1 1 A 55 55 GLU CB C 55 29.611 31.417 -1.806 2
1 741 . 1 1 A 55 55 GLU N N 55 124.250 121.683 2.567 2
1 742 . 1 1 A 56 56 ASN H H 56 8.371 7.896 0.475 2
1 743 . 1 1 A 56 56 ASN HA H 56 5.163 5.109 0.054 2
1 748 . 1 1 A 56 56 ASN CA C 56 50.680 50.532 0.148 2
1 749 . 1 1 A 56 56 ASN CB C 56 39.563 38.891 0.672 2
1 750 . 1 1 A 56 56 ASN N N 56 115.600 117.788 -2.188 2
1 752 . 1 1 A 57 57 PRO HA H 57 4.854 4.892 -0.038 2
1 759 . 1 1 A 57 57 PRO C C 57 178.760 176.103 2.657 2
1 760 . 1 1 A 57 57 PRO CA C 57 62.630 62.819 -0.189 2
1 761 . 1 1 A 57 57 PRO CB C 57 32.197 32.194 0.003 2
1 764 . 1 1 A 58 58 ARG H H 58 9.448 8.723 0.725 2
1 765 . 1 1 A 58 58 ARG HA H 58 4.636 4.816 -0.180 2
1 773 . 1 1 A 58 58 ARG C C 58 175.430 175.766 -0.336 2
1 774 . 1 1 A 58 58 ARG CA C 58 54.210 54.435 -0.225 2
1 775 . 1 1 A 58 58 ARG CB C 58 34.208 33.898 0.310 2
1 778 . 1 1 A 58 58 ARG N N 58 122.690 122.131 0.559 2
1 780 . 1 1 A 59 59 GLU H H 59 8.694 8.781 -0.087 2
1 781 . 1 1 A 59 59 GLU HA H 59 4.096 4.569 -0.473 2
1 786 . 1 1 A 59 59 GLU C C 59 175.210 175.801 -0.591 2
1 787 . 1 1 A 59 59 GLU CA C 59 56.470 56.517 -0.047 2
1 788 . 1 1 A 59 59 GLU CB C 59 31.074 30.714 0.360 2
1 790 . 1 1 A 59 59 GLU N N 59 119.520 120.343 -0.823 2
1 791 . 1 1 A 60 60 VAL H H 60 7.296 7.527 -0.231 2
1 792 . 1 1 A 60 60 VAL HA H 60 4.471 4.619 -0.148 2
1 800 . 1 1 A 60 60 VAL C C 60 174.900 174.081 0.819 2
1 801 . 1 1 A 60 60 VAL CA C 60 61.058 60.342 0.716 2
1 802 . 1 1 A 60 60 VAL CB C 60 35.056 35.062 -0.006 2
1 805 . 1 1 A 60 60 VAL N N 60 117.380 118.376 -0.996 2
1 806 . 1 1 A 61 61 VAL H H 61 8.064 8.499 -0.435 2
1 807 . 1 1 A 61 61 VAL HA H 61 4.540 4.931 -0.391 2
1 815 . 1 1 A 61 61 VAL C C 61 172.880 174.737 -1.857 2
1 816 . 1 1 A 61 61 VAL CA C 61 58.820 58.929 -0.109 2
1 817 . 1 1 A 61 61 VAL CB C 61 33.464 35.937 -2.473 2
1 820 . 1 1 A 61 61 VAL N N 61 117.630 120.335 -2.705 2
1 821 . 1 1 A 62 62 GLU H H 62 8.620 8.771 -0.151 2
1 822 . 1 1 A 62 62 GLU HA H 62 4.543 4.668 -0.125 2
1 827 . 1 1 A 62 62 GLU C C 62 176.350 177.280 -0.930 2
1 828 . 1 1 A 62 62 GLU CA C 62 53.640 54.886 -1.246 2
1 829 . 1 1 A 62 62 GLU CB C 62 32.360 31.820 0.539 2
1 831 . 1 1 A 62 62 GLU N N 62 118.060 120.068 -2.008 2
1 832 . 1 1 A 63 63 ILE H H 63 8.520 8.515 0.005 2
1 833 . 1 1 A 63 63 ILE HA H 63 3.275 4.236 -0.961 2
1 843 . 1 1 A 63 63 ILE C C 63 177.940 176.447 1.493 2
1 844 . 1 1 A 63 63 ILE CA C 63 64.410 62.114 2.296 2
1 845 . 1 1 A 63 63 ILE CB C 63 37.674 37.357 0.317 2
1 849 . 1 1 A 63 63 ILE N N 63 120.310 121.943 -1.633 2
1 850 . 1 1 A 64 64 GLY H H 64 9.091 7.942 1.149 2
1 851 . 1 1 A 64 64 GLY HA2 H 64 3.563 4.178 -0.615 2
1 852 . 1 1 A 64 64 GLY HA3 H 64 4.774 4.213 0.561 2
1 853 . 1 1 A 64 64 GLY C C 64 173.290 173.445 -0.155 2
1 854 . 1 1 A 64 64 GLY CA C 64 45.359 45.594 -0.235 2
1 855 . 1 1 A 64 64 GLY N N 64 116.340 110.761 5.579 2
1 856 . 1 1 A 65 65 ASP H H 65 8.335 7.920 0.415 2
1 857 . 1 1 A 65 65 ASP HA H 65 4.914 5.211 -0.297 2
1 860 . 1 1 A 65 65 ASP C C 65 175.180 174.953 0.227 2
1 861 . 1 1 A 65 65 ASP CA C 65 56.630 53.229 3.401 2
1 862 . 1 1 A 65 65 ASP CB C 65 41.980 43.793 -1.813 2
1 863 . 1 1 A 65 65 ASP N N 65 121.610 119.986 1.624 2
1 864 . 1 1 A 66 66 VAL H H 66 7.580 8.548 -0.968 2
1 865 . 1 1 A 66 66 VAL HA H 66 5.085 4.939 0.146 2
1 873 . 1 1 A 66 66 VAL C C 66 176.170 174.983 1.187 2
1 874 . 1 1 A 66 66 VAL CA C 66 60.240 60.601 -0.361 2
1 875 . 1 1 A 66 66 VAL CB C 66 33.783 35.787 -2.004 2
1 878 . 1 1 A 66 66 VAL N N 66 117.330 119.329 -1.999 2
1 879 . 1 1 A 67 67 GLY H H 67 9.592 8.539 1.053 2
1 880 . 1 1 A 67 67 GLY HA2 H 67 5.899 4.465 1.434 2
1 881 . 1 1 A 67 67 GLY HA3 H 67 3.200 4.552 -1.352 2
1 882 . 1 1 A 67 67 GLY C C 67 171.740 172.093 -0.353 2
1 883 . 1 1 A 67 67 GLY CA C 67 43.580 44.650 -1.070 2
1 884 . 1 1 A 67 67 GLY N N 67 111.440 113.201 -1.761 2
1 885 . 1 1 A 68 68 TYR H H 68 9.146 8.925 0.221 2
1 886 . 1 1 A 68 68 TYR HA H 68 5.809 5.200 0.609 2
1 889 . 1 1 A 68 68 TYR C C 68 173.860 174.162 -0.303 2
1 890 . 1 1 A 68 68 TYR CA C 68 55.900 56.790 -0.890 2
1 891 . 1 1 A 68 68 TYR CB C 68 42.170 41.043 1.127 2
1 892 . 1 1 A 68 68 TYR N N 68 119.980 120.212 -0.232 2
1 893 . 1 1 A 69 69 TRP H H 69 9.213 8.605 0.608 2
1 894 . 1 1 A 69 69 TRP HA H 69 5.268 4.940 0.328 2
1 902 . 1 1 A 69 69 TRP CA C 69 53.390 55.182 -1.792 2
1 903 . 1 1 A 69 69 TRP CB C 69 30.442 30.244 0.198 2
1 908 . 1 1 A 69 69 TRP N N 69 132.150 127.100 5.050 2
1 910 . 1 1 A 70 70 PRO HA H 70 3.923 4.171 -0.248 2
1 917 . 1 1 A 70 70 PRO CA C 70 66.753 65.012 1.741 2
1 918 . 1 1 A 70 70 PRO CB C 70 30.054 31.783 -1.729 2
1 921 . 1 1 A 71 71 PRO HA H 71 3.716 4.099 -0.383 2
1 928 . 1 1 A 71 71 PRO CA C 71 65.803 64.664 1.139 2
1 929 . 1 1 A 71 71 PRO CB C 71 30.620 30.789 -0.169 2
1 932 . 1 1 A 72 72 GLY HA2 H 72 3.168 3.746 -0.578 2
1 933 . 1 1 A 72 72 GLY HA3 H 72 4.271 3.832 0.439 2
1 934 . 1 1 A 72 72 GLY C C 72 173.220 173.418 -0.198 2
1 935 . 1 1 A 72 72 GLY CA C 72 44.350 44.990 -0.640 2
1 936 . 1 1 A 73 73 LYS H H 73 7.989 7.582 0.407 2
1 937 . 1 1 A 73 73 LYS HA H 73 3.566 3.782 -0.216 2
1 946 . 1 1 A 73 73 LYS C C 73 177.420 174.935 2.485 2
1 947 . 1 1 A 73 73 LYS CA C 73 57.790 57.052 0.738 2
1 948 . 1 1 A 73 73 LYS CB C 73 29.398 29.994 -0.596 2
1 952 . 1 1 A 73 73 LYS N N 73 121.515 115.649 5.866 2
1 953 . 1 1 A 74 74 ALA H H 74 6.969 7.507 -0.538 2
1 954 . 1 1 A 74 74 ALA HA H 74 5.123 5.140 -0.017 2
1 958 . 1 1 A 74 74 ALA C C 74 177.490 175.586 1.904 2
1 959 . 1 1 A 74 74 ALA CA C 74 51.900 50.649 1.251 2
1 960 . 1 1 A 74 74 ALA CB C 74 23.090 23.119 -0.029 2
1 961 . 1 1 A 74 74 ALA N N 74 118.780 119.144 -0.364 2
1 962 . 1 1 A 75 75 LEU H H 75 8.032 7.951 0.081 2
1 963 . 1 1 A 75 75 LEU HA H 75 4.844 4.487 0.357 2
1 973 . 1 1 A 75 75 LEU C C 75 175.540 175.334 0.206 2
1 974 . 1 1 A 75 75 LEU CA C 75 54.000 53.893 0.107 2
1 975 . 1 1 A 75 75 LEU CB C 75 43.858 43.133 0.725 2
1 979 . 1 1 A 75 75 LEU N N 75 122.780 120.543 2.237 2
1 980 . 1 1 A 76 76 CYS H H 76 8.813 8.228 0.585 2
1 981 . 1 1 A 76 76 CYS HA H 76 5.178 5.063 0.115 2
1 984 . 1 1 A 76 76 CYS C C 76 173.080 172.737 0.343 2
1 985 . 1 1 A 76 76 CYS CA C 76 55.850 57.754 -1.904 2
1 986 . 1 1 A 76 76 CYS CB C 76 31.922 31.536 0.386 2
1 987 . 1 1 A 76 76 CYS N N 76 117.950 119.884 -1.934 2
1 988 . 1 1 A 77 77 LEU H H 77 9.621 8.591 1.030 2
1 989 . 1 1 A 77 77 LEU HA H 77 4.741 4.862 -0.121 2
1 999 . 1 1 A 77 77 LEU C C 77 175.040 175.531 -0.491 2
1 1000 . 1 1 A 77 77 LEU CA C 77 53.510 53.613 -0.103 2
1 1001 . 1 1 A 77 77 LEU CB C 77 44.058 44.160 -0.102 2
1 1005 . 1 1 A 77 77 LEU N N 77 123.140 123.791 -0.651 2
1 1006 . 1 1 A 78 78 PHE H H 78 7.930 8.762 -0.832 2
1 1007 . 1 1 A 78 78 PHE HA H 78 4.809 5.007 -0.198 2
1 1015 . 1 1 A 78 78 PHE C C 78 174.830 176.019 -1.189 2
1 1016 . 1 1 A 78 78 PHE CA C 78 58.140 56.601 1.539 2
1 1017 . 1 1 A 78 78 PHE CB C 78 39.603 40.455 -0.852 2
1 1021 . 1 1 A 78 78 PHE N N 78 120.120 124.156 -4.036 2
1 1022 . 1 1 A 79 79 PHE H H 79 8.038 8.284 -0.246 2
1 1023 . 1 1 A 79 79 PHE HA H 79 5.029 5.099 -0.070 2
1 1031 . 1 1 A 79 79 PHE C C 79 172.070 175.209 -3.139 2
1 1032 . 1 1 A 79 79 PHE CA C 79 55.630 56.542 -0.912 2
1 1033 . 1 1 A 79 79 PHE CB C 79 39.003 40.618 -1.615 2
1 1037 . 1 1 A 79 79 PHE N N 79 119.040 118.601 0.439 2
1 1038 . 1 1 A 80 80 GLY H H 80 7.489 7.452 0.037 2
1 1039 . 1 1 A 80 80 GLY HA2 H 80 3.653 4.033 -0.380 2
1 1040 . 1 1 A 80 80 GLY HA3 H 80 4.283 4.117 0.166 2
1 1041 . 1 1 A 80 80 GLY C C 80 170.830 172.539 -1.709 2
1 1042 . 1 1 A 80 80 GLY CA C 80 45.342 45.856 -0.514 2
1 1043 . 1 1 A 80 80 GLY N N 80 110.010 108.424 1.586 2
1 1044 . 1 1 A 81 81 LYS H H 81 8.186 8.364 -0.178 2
1 1045 . 1 1 A 81 81 LYS HA H 81 4.003 4.586 -0.583 2
1 1054 . 1 1 A 81 81 LYS C C 81 177.530 175.366 2.164 2
1 1055 . 1 1 A 81 81 LYS CA C 81 57.730 55.679 2.051 2
1 1056 . 1 1 A 81 81 LYS CB C 81 33.293 34.318 -1.025 2
1 1060 . 1 1 A 81 81 LYS N N 81 117.260 122.359 -5.099 2
1 1061 . 1 1 A 82 82 THR H H 82 8.076 8.387 -0.311 2
1 1062 . 1 1 A 82 82 THR HA H 82 4.423 4.704 -0.281 2
1 1067 . 1 1 A 82 82 THR CA C 82 59.230 60.291 -1.061 2
1 1068 . 1 1 A 82 82 THR CB C 82 68.310 68.909 -0.598 2
1 1070 . 1 1 A 82 82 THR N N 82 113.611 115.339 -1.728 2
1 1071 . 1 1 A 83 83 PRO HA H 83 4.090 4.363 -0.273 2
1 1078 . 1 1 A 83 83 PRO CA C 83 63.743 63.727 0.016 2
1 1079 . 1 1 A 83 83 PRO CB C 83 32.167 31.364 0.803 2
1 1082 . 1 1 A 84 84 MET HA H 84 4.220 4.646 -0.426 2
1 1090 . 1 1 A 84 84 MET C C 84 175.920 175.095 0.825 2
1 1091 . 1 1 A 84 84 MET CA C 84 55.880 55.245 0.635 2
1 1092 . 1 1 A 84 84 MET CB C 84 33.070 32.998 0.072 2
1 1095 . 1 1 A 85 85 SER H H 85 7.256 7.767 -0.511 2
1 1096 . 1 1 A 85 85 SER HA H 85 4.401 4.696 -0.295 2
1 1099 . 1 1 A 85 85 SER C C 85 173.380 173.106 0.274 2
1 1100 . 1 1 A 85 85 SER CA C 85 58.230 57.189 1.041 2
1 1101 . 1 1 A 85 85 SER CB C 85 64.290 65.463 -1.173 2
1 1102 . 1 1 A 85 85 SER N N 85 111.370 114.988 -3.618 2
1 1103 . 1 1 A 86 86 ASP H H 86 8.517 8.844 -0.327 2
1 1104 . 1 1 A 86 86 ASP HA H 86 4.692 4.755 -0.063 2
1 1107 . 1 1 A 86 86 ASP C C 86 175.860 177.094 -1.234 2
1 1108 . 1 1 A 86 86 ASP CA C 86 54.150 55.523 -1.373 2
1 1109 . 1 1 A 86 86 ASP CB C 86 41.360 43.155 -1.795 2
1 1110 . 1 1 A 86 86 ASP N N 86 123.320 121.727 1.593 2
1 1111 . 1 1 A 87 87 ASP H H 87 8.412 8.332 0.080 2
1 1112 . 1 1 A 87 87 ASP HA H 87 4.529 4.571 -0.042 2
1 1115 . 1 1 A 87 87 ASP C C 87 175.270 176.430 -1.160 2
1 1116 . 1 1 A 87 87 ASP CA C 87 54.870 56.206 -1.336 2
1 1117 . 1 1 A 87 87 ASP CB C 87 41.580 41.927 -0.347 2
1 1118 . 1 1 A 87 87 ASP N N 87 118.900 118.251 0.650 2
1 1119 . 1 1 A 88 88 LYS H H 88 7.869 7.501 0.368 2
1 1120 . 1 1 A 88 88 LYS HA H 88 4.372 4.738 -0.366 2
1 1129 . 1 1 A 88 88 LYS C C 88 174.870 175.184 -0.314 2
1 1130 . 1 1 A 88 88 LYS CA C 88 54.580 54.712 -0.132 2
1 1131 . 1 1 A 88 88 LYS CB C 88 34.047 35.014 -0.967 2
1 1135 . 1 1 A 88 88 LYS N N 88 118.310 113.407 4.903 2
1 1136 . 1 1 A 89 89 ILE H H 89 8.604 8.656 -0.052 2
1 1137 . 1 1 A 89 89 ILE HA H 89 3.873 4.215 -0.343 2
1 1147 . 1 1 A 89 89 ILE C C 89 174.480 175.281 -0.802 2
1 1148 . 1 1 A 89 89 ILE CA C 89 61.890 61.131 0.759 2
1 1149 . 1 1 A 89 89 ILE CB C 89 36.398 37.059 -0.661 2
1 1153 . 1 1 A 89 89 ILE N N 89 121.510 121.733 -0.223 2
1 1154 . 1 1 A 90 90 GLN H H 90 8.015 8.517 -0.502 2
1 1155 . 1 1 A 90 90 GLN HA H 90 5.033 4.623 0.410 2
1 1162 . 1 1 A 90 90 GLN CA C 90 52.110 53.261 -1.151 2
1 1163 . 1 1 A 90 90 GLN CB C 90 32.045 29.122 2.924 2
1 1165 . 1 1 A 90 90 GLN N N 90 126.430 125.800 0.630 2
1 1167 . 1 1 A 91 91 PRO HA H 91 4.508 4.731 -0.223 2
1 1174 . 1 1 A 91 91 PRO C C 91 175.210 176.928 -1.718 2
1 1175 . 1 1 A 91 91 PRO CA C 91 61.680 62.422 -0.742 2
1 1176 . 1 1 A 91 91 PRO CB C 91 32.854 33.079 -0.225 2
1 1179 . 1 1 A 92 92 ALA H H 92 8.014 8.515 -0.501 2
1 1180 . 1 1 A 92 92 ALA HA H 92 3.931 4.259 -0.328 2
1 1184 . 1 1 A 92 92 ALA CA C 92 55.270 54.149 1.121 2
1 1185 . 1 1 A 92 92 ALA CB C 92 18.838 19.057 -0.219 2
1 1186 . 1 1 A 92 92 ALA N N 92 121.420 122.167 -0.747 2
1 1187 . 1 1 A 93 93 SER H H 93 7.391 7.787 -0.396 2
1 1188 . 1 1 A 93 93 SER HA H 93 4.223 4.666 -0.443 2
1 1191 . 1 1 A 93 93 SER C C 93 171.670 172.743 -1.073 2
1 1192 . 1 1 A 93 93 SER CA C 93 57.240 57.060 0.180 2
1 1193 . 1 1 A 93 93 SER CB C 93 63.620 65.426 -1.806 2
1 1194 . 1 1 A 93 93 SER N N 93 105.210 111.177 -5.967 2
1 1195 . 1 1 A 94 94 ALA H H 94 8.276 8.432 -0.156 2
1 1196 . 1 1 A 94 94 ALA HA H 94 4.113 4.529 -0.416 2
1 1200 . 1 1 A 94 94 ALA C C 94 177.150 176.964 0.186 2
1 1201 . 1 1 A 94 94 ALA CA C 94 53.810 52.079 1.731 2
1 1202 . 1 1 A 94 94 ALA CB C 94 19.219 18.148 1.071 2
1 1203 . 1 1 A 94 94 ALA N N 94 117.972 124.930 -6.958 2
1 1204 . 1 1 A 95 95 VAL H H 95 7.886 8.272 -0.386 2
1 1205 . 1 1 A 95 95 VAL HA H 95 5.037 4.588 0.449 2
1 1213 . 1 1 A 95 95 VAL C C 95 174.060 175.328 -1.268 2
1 1214 . 1 1 A 95 95 VAL CA C 95 57.510 61.214 -3.704 2
1 1215 . 1 1 A 95 95 VAL CB C 95 35.106 33.421 1.685 2
1 1218 . 1 1 A 95 95 VAL N N 95 108.410 118.975 -10.565 2
1 1219 . 1 1 A 96 96 ASN H H 96 9.178 8.768 0.410 2
1 1220 . 1 1 A 96 96 ASN HA H 96 4.897 5.263 -0.366 2
1 1225 . 1 1 A 96 96 ASN C C 96 176.600 174.641 1.959 2
1 1226 . 1 1 A 96 96 ASN CA C 96 50.790 52.240 -1.450 2
1 1227 . 1 1 A 96 96 ASN CB C 96 39.637 40.200 -0.563 2
1 1228 . 1 1 A 96 96 ASN N N 96 121.250 120.903 0.347 2
1 1230 . 1 1 A 97 97 VAL H H 97 8.503 8.635 -0.132 2
1 1231 . 1 1 A 97 97 VAL HA H 97 4.421 4.406 0.015 2
1 1239 . 1 1 A 97 97 VAL C C 97 176.450 176.565 -0.115 2
1 1240 . 1 1 A 97 97 VAL CA C 97 66.030 62.044 3.986 2
1 1241 . 1 1 A 97 97 VAL CB C 97 30.552 30.459 0.093 2
1 1244 . 1 1 A 97 97 VAL N N 97 129.670 124.159 5.511 2
1 1245 . 1 1 A 98 98 ILE H H 98 8.129 8.048 0.081 2
1 1246 . 1 1 A 98 98 ILE HA H 98 4.628 3.944 0.684 2
1 1256 . 1 1 A 98 98 ILE C C 98 174.270 176.220 -1.950 2
1 1257 . 1 1 A 98 98 ILE CA C 98 61.240 62.725 -1.485 2
1 1258 . 1 1 A 98 98 ILE CB C 98 39.812 38.039 1.773 2
1 1262 . 1 1 A 98 98 ILE N N 98 119.500 121.227 -1.726 2
1 1263 . 1 1 A 99 99 GLY H H 99 7.668 7.797 -0.129 2
1 1264 . 1 1 A 99 99 GLY HA2 H 99 4.435 4.144 0.291 2
1 1265 . 1 1 A 99 99 GLY HA3 H 99 4.637 4.155 0.482 2
1 1266 . 1 1 A 99 99 GLY C C 99 172.410 172.250 0.160 2
1 1267 . 1 1 A 99 99 GLY CA C 99 46.906 44.540 2.366 2
1 1268 . 1 1 A 99 99 GLY N N 99 107.230 110.927 -3.697 2
1 1269 . 1 1 A 100 100 LYS H H 100 8.347 8.593 -0.246 2
1 1270 . 1 1 A 100 100 LYS HA H 100 5.540 5.069 0.471 2
1 1279 . 1 1 A 100 100 LYS C C 100 175.740 174.955 0.785 2
1 1280 . 1 1 A 100 100 LYS CA C 100 54.150 54.877 -0.727 2
1 1281 . 1 1 A 100 100 LYS CB C 100 37.900 36.170 1.730 2
1 1285 . 1 1 A 100 100 LYS N N 100 119.730 120.743 -1.013 2
1 1286 . 1 1 A 101 101 ILE H H 101 9.542 9.045 0.497 2
1 1287 . 1 1 A 101 101 ILE HA H 101 4.184 4.247 -0.063 2
1 1297 . 1 1 A 101 101 ILE C C 101 176.010 176.874 -0.864 2
1 1298 . 1 1 A 101 101 ILE CA C 101 62.940 61.634 1.306 2
1 1299 . 1 1 A 101 101 ILE CB C 101 39.212 36.996 2.216 2
1 1303 . 1 1 A 101 101 ILE N N 101 124.050 126.813 -2.763 2
1 1304 . 1 1 A 102 102 VAL H H 102 8.728 8.274 0.454 2
1 1305 . 1 1 A 102 102 VAL HA H 102 4.591 4.138 0.453 2
1 1313 . 1 1 A 102 102 VAL C C 102 175.730 175.829 -0.099 2
1 1314 . 1 1 A 102 102 VAL CA C 102 62.030 63.996 -1.966 2
1 1315 . 1 1 A 102 102 VAL CB C 102 33.307 32.335 0.972 2
1 1318 . 1 1 A 102 102 VAL N N 102 121.420 126.170 -4.750 2
1 1319 . 1 1 A 103 103 GLU H H 103 7.912 7.807 0.105 2
1 1320 . 1 1 A 103 103 GLU HA H 103 4.661 4.578 0.083 2
1 1325 . 1 1 A 103 103 GLU C C 103 176.520 176.066 0.454 2
1 1326 . 1 1 A 103 103 GLU CA C 103 56.550 55.437 1.113 2
1 1327 . 1 1 A 103 103 GLU CB C 103 34.180 33.243 0.937 2
1 1329 . 1 1 A 103 103 GLU N N 103 120.750 119.974 0.776 2
1 1330 . 1 1 A 104 104 GLY H H 104 8.934 8.774 0.160 2
1 1331 . 1 1 A 104 104 GLY HA2 H 104 3.932 3.986 -0.054 2
1 1332 . 1 1 A 104 104 GLY HA3 H 104 4.345 4.005 0.340 2
1 1333 . 1 1 A 104 104 GLY C C 104 175.230 174.969 0.261 2
1 1334 . 1 1 A 104 104 GLY CA C 104 46.616 46.523 0.093 2
1 1335 . 1 1 A 104 104 GLY N N 104 111.140 111.538 -0.398 2
1 1336 . 1 1 A 105 105 LEU H H 105 8.158 7.882 0.276 2
1 1337 . 1 1 A 105 105 LEU HA H 105 3.702 4.121 -0.419 2
1 1347 . 1 1 A 105 105 LEU C C 105 179.250 178.461 0.789 2
1 1348 . 1 1 A 105 105 LEU CA C 105 59.400 57.373 2.027 2
1 1349 . 1 1 A 105 105 LEU CB C 105 42.743 42.566 0.177 2
1 1353 . 1 1 A 105 105 LEU N N 105 121.390 121.813 -0.423 2
1 1354 . 1 1 A 106 106 GLU H H 106 8.944 8.284 0.660 2
1 1355 . 1 1 A 106 106 GLU HA H 106 3.978 4.170 -0.192 2
1 1360 . 1 1 A 106 106 GLU C C 106 178.120 178.133 -0.013 2
1 1361 . 1 1 A 106 106 GLU CA C 106 58.720 58.899 -0.179 2
1 1362 . 1 1 A 106 106 GLU CB C 106 28.920 29.128 -0.208 2
1 1364 . 1 1 A 106 106 GLU N N 106 113.860 118.172 -4.312 2
1 1365 . 1 1 A 107 107 ASP H H 107 7.538 8.053 -0.515 2
1 1366 . 1 1 A 107 107 ASP HA H 107 4.344 4.395 -0.051 2
1 1369 . 1 1 A 107 107 ASP C C 107 178.190 177.648 0.542 2
1 1370 . 1 1 A 107 107 ASP CA C 107 55.780 56.026 -0.246 2
1 1371 . 1 1 A 107 107 ASP CB C 107 41.191 40.400 0.791 2
1 1372 . 1 1 A 107 107 ASP N N 107 119.620 119.475 0.144 2
1 1373 . 1 1 A 108 108 LEU H H 108 7.115 7.483 -0.368 2
1 1374 . 1 1 A 108 108 LEU HA H 108 3.357 3.652 -0.295 2
1 1384 . 1 1 A 108 108 LEU C C 108 177.920 178.765 -0.845 2
1 1385 . 1 1 A 108 108 LEU CA C 108 57.000 56.622 0.378 2
1 1386 . 1 1 A 108 108 LEU CB C 108 38.445 40.588 -2.143 2
1 1390 . 1 1 A 108 108 LEU N N 108 117.551 118.695 -1.144 2
1 1391 . 1 1 A 109 109 LYS H H 109 7.179 7.714 -0.535 2
1 1392 . 1 1 A 109 109 LYS HA H 109 3.879 4.216 -0.337 2
1 1401 . 1 1 A 109 109 LYS C C 109 176.650 178.037 -1.387 2
1 1402 . 1 1 A 109 109 LYS CA C 109 57.792 58.692 -0.900 2
1 1403 . 1 1 A 109 109 LYS CB C 109 32.184 32.115 0.069 2
1 1407 . 1 1 A 109 109 LYS N N 109 115.080 118.408 -3.328 2
1 1408 . 1 1 A 110 110 LYS H H 110 7.364 7.853 -0.489 2
1 1409 . 1 1 A 110 110 LYS HA H 110 4.016 4.349 -0.333 2
1 1418 . 1 1 A 110 110 LYS C C 110 175.890 176.122 -0.232 2
1 1419 . 1 1 A 110 110 LYS CA C 110 56.550 56.854 -0.304 2
1 1420 . 1 1 A 110 110 LYS CB C 110 32.972 32.536 0.436 2
1 1424 . 1 1 A 110 110 LYS N N 110 116.720 114.703 2.017 2
1 1425 . 1 1 A 111 111 ILE H H 111 6.626 7.161 -0.535 2
1 1426 . 1 1 A 111 111 ILE HA H 111 3.531 4.138 -0.607 2
1 1436 . 1 1 A 111 111 ILE C C 111 176.180 175.421 0.759 2
1 1437 . 1 1 A 111 111 ILE CA C 111 59.950 60.588 -0.638 2
1 1438 . 1 1 A 111 111 ILE CB C 111 34.946 38.727 -3.781 2
1 1442 . 1 1 A 111 111 ILE N N 111 117.000 121.509 -4.509 2
1 1443 . 1 1 A 112 112 LYS H H 112 8.388 8.569 -0.181 2
1 1444 . 1 1 A 112 112 LYS HA H 112 4.356 4.689 -0.333 2
1 1453 . 1 1 A 112 112 LYS C C 112 175.750 177.095 -1.345 2
1 1454 . 1 1 A 112 112 LYS CA C 112 54.430 54.569 -0.139 2
1 1455 . 1 1 A 112 112 LYS CB C 112 33.936 34.777 -0.841 2
1 1459 . 1 1 A 112 112 LYS N N 112 128.240 123.699 4.541 2
1 1460 . 1 1 A 113 113 ASP H H 113 8.103 8.831 -0.728 2
1 1461 . 1 1 A 113 113 ASP HA H 113 4.026 4.802 -0.776 2
1 1464 . 1 1 A 113 113 ASP C C 113 177.630 176.445 1.185 2
1 1465 . 1 1 A 113 113 ASP CA C 113 56.660 53.946 2.714 2
1 1466 . 1 1 A 113 113 ASP CB C 113 42.033 40.613 1.420 2
1 1467 . 1 1 A 113 113 ASP N N 113 119.040 121.782 -2.742 2
1 1468 . 1 1 A 114 114 GLY H H 114 8.635 7.480 1.155 2
1 1469 . 1 1 A 114 114 GLY HA2 H 114 3.547 4.081 -0.534 2
1 1470 . 1 1 A 114 114 GLY HA3 H 114 4.229 4.085 0.144 2
1 1471 . 1 1 A 114 114 GLY C C 114 174.640 174.236 0.404 2
1 1472 . 1 1 A 114 114 GLY CA C 114 45.403 45.615 -0.212 2
1 1473 . 1 1 A 114 114 GLY N N 114 113.170 106.426 6.744 2
1 1474 . 1 1 A 115 115 GLU H H 115 7.346 8.416 -1.070 2
1 1475 . 1 1 A 115 115 GLU HA H 115 4.113 4.548 -0.435 2
1 1480 . 1 1 A 115 115 GLU C C 115 175.840 175.577 0.263 2
1 1481 . 1 1 A 115 115 GLU CA C 115 58.180 55.641 2.539 2
1 1482 . 1 1 A 115 115 GLU CB C 115 30.902 30.005 0.898 2
1 1484 . 1 1 A 115 115 GLU N N 115 119.440 120.433 -0.993 2
1 1485 . 1 1 A 116 116 LYS H H 116 9.107 7.957 1.150 2
1 1486 . 1 1 A 116 116 LYS HA H 116 4.529 4.094 0.435 2
1 1495 . 1 1 A 116 116 LYS C C 116 176.050 175.147 0.903 2
1 1496 . 1 1 A 116 116 LYS CA C 116 56.820 57.117 -0.297 2
1 1497 . 1 1 A 116 116 LYS CB C 116 33.358 31.088 2.270 2
1 1501 . 1 1 A 116 116 LYS N N 116 121.800 116.368 5.432 2
1 1502 . 1 1 A 117 117 VAL H H 117 7.860 7.857 0.003 2
1 1503 . 1 1 A 117 117 VAL HA H 117 4.668 4.212 0.456 2
1 1511 . 1 1 A 117 117 VAL C C 117 171.630 174.360 -2.730 2
1 1512 . 1 1 A 117 117 VAL CA C 117 57.440 61.514 -4.074 2
1 1513 . 1 1 A 117 117 VAL CB C 117 34.614 32.413 2.201 2
1 1516 . 1 1 A 117 117 VAL N N 117 118.940 120.122 -1.182 2
1 1517 . 1 1 A 118 118 ALA H H 118 8.310 8.696 -0.386 2
1 1518 . 1 1 A 118 118 ALA HA H 118 4.506 4.595 -0.089 2
1 1522 . 1 1 A 118 118 ALA C C 118 174.660 175.733 -1.073 2
1 1523 . 1 1 A 118 118 ALA CA C 118 50.370 50.554 -0.184 2
1 1524 . 1 1 A 118 118 ALA CB C 118 20.250 19.798 0.452 2
1 1525 . 1 1 A 118 118 ALA N N 118 130.190 129.991 0.199 2
1 1526 . 1 1 A 119 119 VAL H H 119 8.295 8.577 -0.282 2
1 1527 . 1 1 A 119 119 VAL HA H 119 4.096 4.133 -0.037 2
1 1535 . 1 1 A 119 119 VAL C C 119 175.320 175.664 -0.344 2
1 1536 . 1 1 A 119 119 VAL CA C 119 61.570 61.968 -0.397 2
1 1537 . 1 1 A 119 119 VAL CB C 119 31.445 31.079 0.366 2
1 1540 . 1 1 A 119 119 VAL N N 119 123.160 123.282 -0.122 2
1 1541 . 1 1 A 120 120 ARG H H 120 8.596 8.826 -0.230 2
1 1542 . 1 1 A 120 120 ARG HA H 120 4.534 4.602 -0.068 2
1 1550 . 1 1 A 120 120 ARG C C 120 175.260 176.254 -0.994 2
1 1551 . 1 1 A 120 120 ARG CA C 120 53.740 53.647 0.093 2
1 1552 . 1 1 A 120 120 ARG CB C 120 34.359 33.692 0.667 2
1 1555 . 1 1 A 120 120 ARG N N 120 123.692 127.008 -3.316 2
1 1557 . 1 1 A 121 121 PHE H H 121 8.585 8.844 -0.259 2
1 1558 . 1 1 A 121 121 PHE HA H 121 4.591 4.438 0.153 2
1 1566 . 1 1 A 121 121 PHE C C 121 176.430 175.229 1.201 2
1 1567 . 1 1 A 121 121 PHE CA C 121 60.370 58.053 2.317 2
1 1568 . 1 1 A 121 121 PHE CB C 121 38.713 39.083 -0.370 2
1 1572 . 1 1 A 121 121 PHE N N 121 120.110 120.575 -0.465 2
1 1573 . 1 1 A 122 122 ALA H H 122 7.896 7.977 -0.081 2
1 1574 . 1 1 A 122 122 ALA HA H 122 4.304 4.065 0.239 2
1 1578 . 1 1 A 122 122 ALA C C 122 177.430 177.172 0.258 2
1 1579 . 1 1 A 122 122 ALA CA C 122 52.050 53.359 -1.309 2
1 1580 . 1 1 A 122 122 ALA CB C 122 19.865 17.929 1.936 2
1 1581 . 1 1 A 122 122 ALA N N 122 123.820 121.303 2.517 2
1 1582 . 1 1 A 123 123 SER H H 123 8.675 8.594 0.081 2
1 1583 . 1 1 A 123 123 SER HA H 123 4.372 4.585 -0.213 2
1 1586 . 1 1 A 123 123 SER C C 123 173.630 173.941 -0.311 2
1 1587 . 1 1 A 123 123 SER CA C 123 58.750 58.371 0.379 2
1 1588 . 1 1 A 123 123 SER CB C 123 63.870 62.948 0.922 2
1 1589 . 1 1 A 123 123 SER N N 123 117.330 115.603 1.727 2
stop_
save_