data_15844_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15844
_Entry.PDB_ID 2K5P
_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 9 . 1 1 1 A 2 2 ASN H H 2 9.645 8.799 0.846 1
1 10 . 1 1 1 A 2 2 ASN HA H 2 5.430 5.024 0.406 1
1 15 . 1 1 1 A 2 2 ASN CA C 2 52.761 53.508 -0.747 1
1 16 . 1 1 1 A 2 2 ASN CB C 2 40.140 38.862 1.278 1
1 17 . 1 1 1 A 2 2 ASN N N 2 125.300 121.867 3.433 1
1 19 . 1 1 1 A 3 3 LEU H H 3 8.769 8.931 -0.162 1
1 20 . 1 1 1 A 3 3 LEU HA H 3 4.949 5.197 -0.248 1
1 30 . 1 1 1 A 3 3 LEU C C 3 176.320 175.650 0.670 1
1 31 . 1 1 1 A 3 3 LEU CA C 3 54.223 53.400 0.823 1
1 32 . 1 1 1 A 3 3 LEU CB C 3 45.941 45.134 0.807 1
1 36 . 1 1 1 A 3 3 LEU N N 3 121.800 124.391 -2.591 1
1 37 . 1 1 1 A 4 4 THR H H 4 8.329 9.082 -0.753 1
1 38 . 1 1 1 A 4 4 THR HA H 4 4.744 4.997 -0.253 1
1 43 . 1 1 1 A 4 4 THR C C 4 173.650 174.293 -0.643 1
1 44 . 1 1 1 A 4 4 THR CA C 4 62.150 62.687 -0.537 1
1 45 . 1 1 1 A 4 4 THR CB C 4 69.430 68.273 1.157 1
1 47 . 1 1 1 A 4 4 THR N N 4 116.200 119.873 -3.673 1
1 48 . 1 1 1 A 5 5 VAL H H 5 8.955 8.462 0.493 1
1 49 . 1 1 1 A 5 5 VAL HA H 5 4.683 4.889 -0.206 1
1 57 . 1 1 1 A 5 5 VAL C C 5 176.470 175.837 0.633 1
1 58 . 1 1 1 A 5 5 VAL CA C 5 60.724 61.068 -0.344 1
1 59 . 1 1 1 A 5 5 VAL CB C 5 33.590 31.534 2.056 1
1 62 . 1 1 1 A 5 5 VAL N N 5 126.000 127.701 -1.701 1
1 63 . 1 1 1 A 6 6 ASN H H 6 9.534 9.580 -0.046 1
1 64 . 1 1 1 A 6 6 ASN HA H 6 4.636 4.515 0.121 1
1 69 . 1 1 1 A 6 6 ASN C C 6 175.900 175.527 0.373 1
1 70 . 1 1 1 A 6 6 ASN CA C 6 54.150 54.981 -0.831 1
1 71 . 1 1 1 A 6 6 ASN CB C 6 36.410 37.417 -1.007 1
1 72 . 1 1 1 A 6 6 ASN N N 6 129.400 128.000 1.400 1
1 74 . 1 1 1 A 7 7 GLY H H 7 8.915 8.486 0.429 1
1 75 . 1 1 1 A 7 7 GLY HA2 H 7 4.170 3.856 0.314 1
1 76 . 1 1 1 A 7 7 GLY HA3 H 7 3.485 3.859 -0.374 1
1 77 . 1 1 1 A 7 7 GLY C C 7 173.950 173.952 -0.002 1
1 78 . 1 1 1 A 7 7 GLY CA C 7 45.337 45.434 -0.097 1
1 79 . 1 1 1 A 7 7 GLY N N 7 102.200 104.368 -2.168 1
1 80 . 1 1 1 A 8 8 LYS H H 8 7.900 7.677 0.223 1
1 81 . 1 1 1 A 8 8 LYS HA H 8 4.987 4.539 0.448 1
1 90 . 1 1 1 A 8 8 LYS CA C 8 52.940 52.879 0.061 1
1 91 . 1 1 1 A 8 8 LYS CB C 8 34.010 32.903 1.107 1
1 95 . 1 1 1 A 8 8 LYS N N 8 121.700 121.005 0.695 1
1 96 . 1 1 1 A 9 9 PRO HA H 9 4.700 4.622 0.078 1
1 103 . 1 1 1 A 9 9 PRO C C 9 176.900 175.290 1.610 1
1 104 . 1 1 1 A 9 9 PRO CA C 9 63.990 62.389 1.601 1
1 105 . 1 1 1 A 9 9 PRO CB C 9 32.000 28.901 3.099 1
1 108 . 1 1 1 A 10 10 SER H H 10 8.970 8.729 0.241 1
1 109 . 1 1 1 A 10 10 SER HA H 10 4.822 4.997 -0.175 1
1 112 . 1 1 1 A 10 10 SER C C 10 172.800 172.785 0.015 1
1 113 . 1 1 1 A 10 10 SER CA C 10 57.880 56.256 1.624 1
1 114 . 1 1 1 A 10 10 SER CB C 10 66.361 65.495 0.866 1
1 115 . 1 1 1 A 10 10 SER N N 10 120.300 118.943 1.357 1
1 116 . 1 1 1 A 11 11 THR H H 11 8.590 8.708 -0.118 1
1 117 . 1 1 1 A 11 11 THR HA H 11 5.163 4.957 0.206 1
1 122 . 1 1 1 A 11 11 THR C C 11 173.720 172.563 1.157 1
1 123 . 1 1 1 A 11 11 THR CA C 11 61.380 60.916 0.464 1
1 124 . 1 1 1 A 11 11 THR CB C 11 71.950 72.019 -0.069 1
1 126 . 1 1 1 A 11 11 THR N N 11 120.191 116.588 3.603 1
1 127 . 1 1 1 A 12 12 VAL H H 12 8.563 8.468 0.095 1
1 128 . 1 1 1 A 12 12 VAL HA H 12 4.172 4.441 -0.269 1
1 136 . 1 1 1 A 12 12 VAL C C 12 175.380 174.996 0.384 1
1 137 . 1 1 1 A 12 12 VAL CA C 12 61.350 61.457 -0.107 1
1 138 . 1 1 1 A 12 12 VAL CB C 12 33.053 32.328 0.725 1
1 141 . 1 1 1 A 12 12 VAL N N 12 125.000 124.560 0.440 1
1 142 . 1 1 1 A 13 13 ASP H H 13 8.878 8.749 0.129 1
1 143 . 1 1 1 A 13 13 ASP HA H 13 4.501 4.299 0.202 1
1 146 . 1 1 1 A 13 13 ASP C C 13 177.180 176.781 0.399 1
1 147 . 1 1 1 A 13 13 ASP CA C 13 55.120 55.938 -0.818 1
1 148 . 1 1 1 A 13 13 ASP CB C 13 41.450 40.368 1.082 1
1 149 . 1 1 1 A 13 13 ASP N N 13 128.300 126.845 1.455 1
1 150 . 1 1 1 A 14 14 GLY H H 14 8.697 8.673 0.024 1
1 151 . 1 1 1 A 14 14 GLY HA2 H 14 4.076 3.796 0.280 1
1 152 . 1 1 1 A 14 14 GLY HA3 H 14 3.719 3.797 -0.078 1
1 153 . 1 1 1 A 14 14 GLY C C 14 173.244 174.439 -1.195 1
1 154 . 1 1 1 A 14 14 GLY CA C 14 45.887 46.985 -1.098 1
1 155 . 1 1 1 A 14 14 GLY N N 14 109.900 115.592 -5.692 1
1 156 . 1 1 1 A 15 15 ALA H H 15 7.360 8.639 -1.279 1
1 157 . 1 1 1 A 15 15 ALA HA H 15 4.601 4.068 0.533 1
1 161 . 1 1 1 A 15 15 ALA C C 15 176.240 176.579 -0.339 1
1 162 . 1 1 1 A 15 15 ALA CA C 15 51.370 52.750 -1.380 1
1 163 . 1 1 1 A 15 15 ALA CB C 15 20.970 17.682 3.288 1
1 164 . 1 1 1 A 15 15 ALA N N 15 121.213 125.286 -4.073 1
1 165 . 1 1 1 A 16 16 GLU H H 16 8.967 8.181 0.786 1
1 166 . 1 1 1 A 16 16 GLU HA H 16 4.406 4.461 -0.055 1
1 171 . 1 1 1 A 16 16 GLU C C 16 175.800 176.063 -0.263 1
1 172 . 1 1 1 A 16 16 GLU CA C 16 57.170 55.536 1.634 1
1 173 . 1 1 1 A 16 16 GLU CB C 16 30.700 29.234 1.466 1
1 175 . 1 1 1 A 16 16 GLU N N 16 120.800 122.765 -1.965 1
1 176 . 1 1 1 A 17 17 SER H H 17 7.587 7.935 -0.348 1
1 177 . 1 1 1 A 17 17 SER HA H 17 4.891 4.305 0.586 1
1 180 . 1 1 1 A 17 17 SER C C 17 172.400 173.018 -0.618 1
1 181 . 1 1 1 A 17 17 SER CA C 17 57.797 58.940 -1.143 1
1 182 . 1 1 1 A 17 17 SER CB C 17 64.571 60.755 3.816 1
1 183 . 1 1 1 A 17 17 SER N N 17 111.600 120.676 -9.076 1
1 184 . 1 1 1 A 18 18 LEU H H 18 8.285 8.307 -0.022 1
1 185 . 1 1 1 A 18 18 LEU HA H 18 4.810 4.793 0.017 1
1 195 . 1 1 1 A 18 18 LEU C C 18 175.800 177.008 -1.208 1
1 196 . 1 1 1 A 18 18 LEU CA C 18 54.230 53.725 0.505 1
1 197 . 1 1 1 A 18 18 LEU CB C 18 47.430 45.205 2.225 1
1 201 . 1 1 1 A 18 18 LEU N N 18 122.165 124.285 -2.120 1
1 202 . 1 1 1 A 19 19 ASN H H 19 8.920 8.793 0.127 1
1 203 . 1 1 1 A 19 19 ASN HA H 19 5.768 5.035 0.733 1
1 208 . 1 1 1 A 19 19 ASN C C 19 176.170 176.549 -0.379 1
1 209 . 1 1 1 A 19 19 ASN CA C 19 51.650 52.564 -0.914 1
1 210 . 1 1 1 A 19 19 ASN CB C 19 38.430 38.986 -0.556 1
1 211 . 1 1 1 A 19 19 ASN N N 19 118.700 122.114 -3.414 1
1 213 . 1 1 1 A 20 20 VAL H H 20 7.805 8.784 -0.979 1
1 214 . 1 1 1 A 20 20 VAL HA H 20 3.297 3.751 -0.454 1
1 222 . 1 1 1 A 20 20 VAL C C 20 176.770 177.448 -0.678 1
1 223 . 1 1 1 A 20 20 VAL CA C 20 67.360 66.270 1.090 1
1 224 . 1 1 1 A 20 20 VAL CB C 20 30.940 31.585 -0.645 1
1 227 . 1 1 1 A 20 20 VAL N N 20 117.900 120.617 -2.717 1
1 228 . 1 1 1 A 21 21 THR H H 21 7.230 8.074 -0.844 1
1 229 . 1 1 1 A 21 21 THR HA H 21 3.665 3.877 -0.212 1
1 234 . 1 1 1 A 21 21 THR C C 21 177.360 176.116 1.244 1
1 235 . 1 1 1 A 21 21 THR CA C 21 67.077 67.267 -0.190 1
1 236 . 1 1 1 A 21 21 THR CB C 21 68.460 68.588 -0.128 1
1 238 . 1 1 1 A 21 21 THR N N 21 117.400 117.262 0.138 1
1 239 . 1 1 1 A 22 22 GLU H H 22 8.750 8.192 0.558 1
1 240 . 1 1 1 A 22 22 GLU HA H 22 4.046 4.203 -0.157 1
1 245 . 1 1 1 A 22 22 GLU C C 22 179.910 179.965 -0.055 1
1 246 . 1 1 1 A 22 22 GLU CA C 22 58.550 59.281 -0.731 1
1 247 . 1 1 1 A 22 22 GLU CB C 22 30.550 29.295 1.255 1
1 249 . 1 1 1 A 22 22 GLU N N 22 121.238 119.988 1.250 1
1 250 . 1 1 1 A 23 23 LEU H H 23 8.766 8.104 0.662 1
1 251 . 1 1 1 A 23 23 LEU HA H 23 3.935 4.086 -0.151 1
1 261 . 1 1 1 A 23 23 LEU C C 23 177.800 179.364 -1.564 1
1 262 . 1 1 1 A 23 23 LEU CA C 23 58.240 57.986 0.254 1
1 263 . 1 1 1 A 23 23 LEU CB C 23 41.844 41.462 0.382 1
1 267 . 1 1 1 A 23 23 LEU N N 23 123.900 121.322 2.578 1
1 268 . 1 1 1 A 24 24 LEU H H 24 8.305 8.316 -0.011 1
1 269 . 1 1 1 A 24 24 LEU HA H 24 3.690 3.994 -0.304 1
1 279 . 1 1 1 A 24 24 LEU C C 24 179.620 179.597 0.023 1
1 280 . 1 1 1 A 24 24 LEU CA C 24 58.010 57.873 0.137 1
1 281 . 1 1 1 A 24 24 LEU CB C 24 41.320 41.150 0.170 1
1 285 . 1 1 1 A 24 24 LEU N N 24 117.100 119.975 -2.875 1
1 286 . 1 1 1 A 25 25 SER H H 25 7.226 7.971 -0.745 1
1 287 . 1 1 1 A 25 25 SER HA H 25 4.304 4.192 0.112 1
1 290 . 1 1 1 A 25 25 SER C C 25 178.100 177.160 0.940 1
1 291 . 1 1 1 A 25 25 SER CA C 25 60.900 61.531 -0.631 1
1 292 . 1 1 1 A 25 25 SER CB C 25 62.850 62.503 0.347 1
1 293 . 1 1 1 A 25 25 SER N N 25 111.500 113.153 -1.653 1
1 294 . 1 1 1 A 26 26 ALA H H 26 8.712 8.245 0.467 1
1 295 . 1 1 1 A 26 26 ALA HA H 26 4.138 4.125 0.013 1
1 299 . 1 1 1 A 26 26 ALA C C 26 180.000 180.052 -0.052 1
1 300 . 1 1 1 A 26 26 ALA CA C 26 55.180 54.994 0.186 1
1 301 . 1 1 1 A 26 26 ALA CB C 26 18.200 18.170 0.030 1
1 302 . 1 1 1 A 26 26 ALA N N 26 126.100 124.422 1.678 1
1 303 . 1 1 1 A 27 27 LEU H H 27 8.050 7.698 0.352 1
1 304 . 1 1 1 A 27 27 LEU HA H 27 4.314 4.064 0.250 1
1 314 . 1 1 1 A 27 27 LEU C C 27 175.810 176.474 -0.664 1
1 315 . 1 1 1 A 27 27 LEU CA C 27 54.307 54.647 -0.340 1
1 316 . 1 1 1 A 27 27 LEU CB C 27 42.021 41.597 0.424 1
1 320 . 1 1 1 A 27 27 LEU N N 27 114.250 115.664 -1.414 1
1 321 . 1 1 1 A 28 28 LYS H H 28 7.766 7.698 0.068 1
1 322 . 1 1 1 A 28 28 LYS HA H 28 3.869 3.919 -0.050 1
1 331 . 1 1 1 A 28 28 LYS C C 28 176.030 176.083 -0.053 1
1 332 . 1 1 1 A 28 28 LYS CA C 28 56.630 57.094 -0.464 1
1 333 . 1 1 1 A 28 28 LYS CB C 28 28.893 30.917 -2.024 1
1 337 . 1 1 1 A 28 28 LYS N N 28 117.700 119.058 -1.358 1
1 338 . 1 1 1 A 29 29 VAL H H 29 7.583 7.911 -0.328 1
1 339 . 1 1 1 A 29 29 VAL HA H 29 3.520 4.556 -1.036 1
1 347 . 1 1 1 A 29 29 VAL C C 29 176.410 176.091 0.319 1
1 348 . 1 1 1 A 29 29 VAL CA C 29 63.741 60.803 2.938 1
1 349 . 1 1 1 A 29 29 VAL CB C 29 31.840 33.305 -1.465 1
1 352 . 1 1 1 A 29 29 VAL N N 29 119.200 122.593 -3.393 1
1 353 . 1 1 1 A 30 30 ALA H H 30 8.543 8.687 -0.144 1
1 354 . 1 1 1 A 30 30 ALA HA H 30 4.215 4.365 -0.150 1
1 358 . 1 1 1 A 30 30 ALA C C 30 177.710 178.078 -0.368 1
1 359 . 1 1 1 A 30 30 ALA CA C 30 52.330 54.238 -1.908 1
1 360 . 1 1 1 A 30 30 ALA CB C 30 19.170 19.450 -0.280 1
1 361 . 1 1 1 A 30 30 ALA N N 30 131.100 129.253 1.847 1
1 362 . 1 1 1 A 31 31 GLN H H 31 8.982 7.546 1.436 1
1 363 . 1 1 1 A 31 31 GLN HA H 31 4.162 4.712 -0.550 1
1 370 . 1 1 1 A 31 31 GLN C C 31 176.670 176.182 0.488 1
1 371 . 1 1 1 A 31 31 GLN CA C 31 56.100 54.226 1.874 1
1 372 . 1 1 1 A 31 31 GLN CB C 31 27.390 26.723 0.667 1
1 374 . 1 1 1 A 31 31 GLN N N 31 117.300 116.307 0.993 1
1 376 . 1 1 1 A 32 32 ALA H H 32 8.029 8.137 -0.108 1
1 377 . 1 1 1 A 32 32 ALA HA H 32 3.738 3.997 -0.259 1
1 381 . 1 1 1 A 32 32 ALA C C 32 178.700 178.136 0.564 1
1 382 . 1 1 1 A 32 32 ALA CA C 32 55.010 54.547 0.463 1
1 383 . 1 1 1 A 32 32 ALA CB C 32 18.647 18.719 -0.072 1
1 384 . 1 1 1 A 32 32 ALA N N 32 119.900 126.108 -6.208 1
1 385 . 1 1 1 A 33 33 GLU H H 33 9.338 7.948 1.390 1
1 386 . 1 1 1 A 33 33 GLU HA H 33 4.037 4.179 -0.142 1
1 391 . 1 1 1 A 33 33 GLU C C 33 176.370 177.021 -0.651 1
1 392 . 1 1 1 A 33 33 GLU CA C 33 58.280 56.997 1.283 1
1 393 . 1 1 1 A 33 33 GLU CB C 33 28.670 29.848 -1.178 1
1 395 . 1 1 1 A 33 33 GLU N N 33 116.800 116.451 0.349 1
1 396 . 1 1 1 A 34 34 TYR H H 34 8.063 7.880 0.183 1
1 397 . 1 1 1 A 34 34 TYR HA H 34 4.820 4.879 -0.059 1
1 404 . 1 1 1 A 34 34 TYR C C 34 175.460 175.617 -0.157 1
1 405 . 1 1 1 A 34 34 TYR CA C 34 56.800 57.946 -1.146 1
1 406 . 1 1 1 A 34 34 TYR CB C 34 39.810 39.642 0.168 1
1 411 . 1 1 1 A 34 34 TYR N N 34 116.100 116.267 -0.167 1
1 412 . 1 1 1 A 35 35 VAL H H 35 7.330 7.086 0.244 1
1 413 . 1 1 1 A 35 35 VAL HA H 35 4.689 4.189 0.500 1
1 421 . 1 1 1 A 35 35 VAL C C 35 173.700 174.824 -1.124 1
1 422 . 1 1 1 A 35 35 VAL CA C 35 61.550 62.748 -1.198 1
1 423 . 1 1 1 A 35 35 VAL CB C 35 33.650 32.451 1.199 1
1 426 . 1 1 1 A 35 35 VAL N N 35 121.200 121.753 -0.553 1
1 427 . 1 1 1 A 36 36 THR H H 36 8.879 8.983 -0.104 1
1 428 . 1 1 1 A 36 36 THR HA H 36 4.696 5.071 -0.375 1
1 433 . 1 1 1 A 36 36 THR C C 36 172.930 173.889 -0.959 1
1 434 . 1 1 1 A 36 36 THR CA C 36 62.300 61.978 0.322 1
1 435 . 1 1 1 A 36 36 THR CB C 36 70.500 69.631 0.869 1
1 437 . 1 1 1 A 36 36 THR N N 36 126.800 124.235 2.565 1
1 438 . 1 1 1 A 37 37 VAL H H 37 9.616 9.216 0.400 1
1 439 . 1 1 1 A 37 37 VAL HA H 37 5.072 5.225 -0.153 1
1 447 . 1 1 1 A 37 37 VAL C C 37 174.820 174.216 0.604 1
1 448 . 1 1 1 A 37 37 VAL CA C 37 59.440 58.995 0.445 1
1 449 . 1 1 1 A 37 37 VAL CB C 37 35.270 36.168 -0.898 1
1 452 . 1 1 1 A 37 37 VAL N N 37 127.600 119.014 8.586 1
1 453 . 1 1 1 A 38 38 GLU H H 38 8.934 8.726 0.208 1
1 454 . 1 1 1 A 38 38 GLU HA H 38 5.059 5.148 -0.089 1
1 459 . 1 1 1 A 38 38 GLU C C 38 174.850 174.632 0.218 1
1 460 . 1 1 1 A 38 38 GLU CA C 38 53.989 54.160 -0.171 1
1 461 . 1 1 1 A 38 38 GLU CB C 38 32.599 34.106 -1.507 1
1 463 . 1 1 1 A 38 38 GLU N N 38 126.700 120.882 5.818 1
1 464 . 1 1 1 A 39 39 LEU H H 39 9.004 8.662 0.342 1
1 465 . 1 1 1 A 39 39 LEU HA H 39 5.082 5.144 -0.062 1
1 474 . 1 1 1 A 39 39 LEU C C 39 175.890 175.673 0.217 1
1 475 . 1 1 1 A 39 39 LEU CA C 39 53.030 53.119 -0.089 1
1 476 . 1 1 1 A 39 39 LEU CB C 39 45.640 44.890 0.750 1
1 479 . 1 1 1 A 39 39 LEU N N 39 128.700 117.429 11.271 1
1 480 . 1 1 1 A 40 40 ASN H H 40 10.210 9.392 0.818 1
1 481 . 1 1 1 A 40 40 ASN HA H 40 4.495 4.456 0.039 1
1 486 . 1 1 1 A 40 40 ASN C C 40 175.620 175.426 0.194 1
1 487 . 1 1 1 A 40 40 ASN CA C 40 54.540 54.443 0.097 1
1 488 . 1 1 1 A 40 40 ASN CB C 40 37.280 36.979 0.301 1
1 489 . 1 1 1 A 40 40 ASN N N 40 128.749 119.450 9.299 1
1 491 . 1 1 1 A 41 41 GLY H H 41 8.913 8.309 0.604 1
1 492 . 1 1 1 A 41 41 GLY HA2 H 41 4.162 4.032 0.130 1
1 493 . 1 1 1 A 41 41 GLY HA3 H 41 3.625 4.034 -0.409 1
1 494 . 1 1 1 A 41 41 GLY C C 41 173.380 174.262 -0.882 1
1 495 . 1 1 1 A 41 41 GLY CA C 41 45.220 45.062 0.158 1
1 496 . 1 1 1 A 41 41 GLY N N 41 102.811 105.208 -2.397 1
1 497 . 1 1 1 A 42 42 GLU H H 42 7.716 7.664 0.052 1
1 498 . 1 1 1 A 42 42 GLU HA H 42 4.655 4.256 0.399 1
1 503 . 1 1 1 A 42 42 GLU C C 42 175.300 175.735 -0.435 1
1 504 . 1 1 1 A 42 42 GLU CA C 42 54.190 56.759 -2.569 1
1 505 . 1 1 1 A 42 42 GLU CB C 42 31.770 30.099 1.671 1
1 507 . 1 1 1 A 42 42 GLU N N 42 120.731 122.188 -1.457 1
1 508 . 1 1 1 A 43 43 VAL H H 43 8.872 8.433 0.439 1
1 509 . 1 1 1 A 43 43 VAL HA H 43 4.025 4.293 -0.268 1
1 517 . 1 1 1 A 43 43 VAL C C 43 176.260 175.721 0.539 1
1 518 . 1 1 1 A 43 43 VAL CA C 43 64.110 62.219 1.891 1
1 519 . 1 1 1 A 43 43 VAL CB C 43 31.500 32.966 -1.466 1
1 522 . 1 1 1 A 43 43 VAL N N 43 126.800 127.131 -0.331 1
1 523 . 1 1 1 A 44 44 LEU H H 44 8.810 8.402 0.408 1
1 524 . 1 1 1 A 44 44 LEU HA H 44 4.656 4.581 0.075 1
1 534 . 1 1 1 A 44 44 LEU C C 44 177.620 176.224 1.396 1
1 535 . 1 1 1 A 44 44 LEU CA C 44 53.750 53.332 0.418 1
1 536 . 1 1 1 A 44 44 LEU CB C 44 44.080 42.902 1.178 1
1 540 . 1 1 1 A 44 44 LEU N N 44 129.200 128.100 1.100 1
1 541 . 1 1 1 A 45 45 GLU H H 45 8.742 8.476 0.266 1
1 542 . 1 1 1 A 45 45 GLU HA H 45 4.465 4.282 0.183 1
1 547 . 1 1 1 A 45 45 GLU C C 45 177.440 177.323 0.117 1
1 548 . 1 1 1 A 45 45 GLU CA C 45 55.270 55.857 -0.587 1
1 549 . 1 1 1 A 45 45 GLU CB C 45 29.830 30.965 -1.135 1
1 551 . 1 1 1 A 45 45 GLU N N 45 122.500 124.491 -1.991 1
1 552 . 1 1 1 A 46 46 ARG H H 46 8.674 8.869 -0.195 1
1 553 . 1 1 1 A 46 46 ARG HA H 46 2.384 4.355 -1.971 1
1 560 . 1 1 1 A 46 46 ARG C C 46 179.080 176.527 2.553 1
1 561 . 1 1 1 A 46 46 ARG CA C 46 58.150 58.894 -0.744 1
1 562 . 1 1 1 A 46 46 ARG CB C 46 29.050 29.825 -0.775 1
1 565 . 1 1 1 A 46 46 ARG N N 46 124.600 124.126 0.474 1
1 566 . 1 1 1 A 47 47 GLU H H 47 9.010 8.103 0.907 1
1 567 . 1 1 1 A 47 47 GLU HA H 47 4.008 4.501 -0.493 1
1 572 . 1 1 1 A 47 47 GLU C C 47 176.700 177.254 -0.554 1
1 573 . 1 1 1 A 47 47 GLU CA C 47 58.720 55.996 2.724 1
1 574 . 1 1 1 A 47 47 GLU CB C 47 28.590 30.382 -1.792 1
1 576 . 1 1 1 A 47 47 GLU N N 47 117.300 115.716 1.584 1
1 577 . 1 1 1 A 48 48 ALA H H 48 8.011 7.746 0.265 1
1 578 . 1 1 1 A 48 48 ALA HA H 48 4.749 4.192 0.557 1
1 582 . 1 1 1 A 48 48 ALA C C 48 180.070 179.039 1.031 1
1 583 . 1 1 1 A 48 48 ALA CA C 48 51.780 53.303 -1.523 1
1 584 . 1 1 1 A 48 48 ALA CB C 48 19.390 18.907 0.483 1
1 585 . 1 1 1 A 48 48 ALA N N 48 120.200 122.084 -1.884 1
1 586 . 1 1 1 A 49 49 PHE H H 49 8.002 7.505 0.497 1
1 587 . 1 1 1 A 49 49 PHE HA H 49 4.305 4.259 0.046 1
1 594 . 1 1 1 A 49 49 PHE C C 49 177.710 177.786 -0.076 1
1 595 . 1 1 1 A 49 49 PHE CA C 49 59.969 61.834 -1.865 1
1 596 . 1 1 1 A 49 49 PHE CB C 49 36.820 38.810 -1.990 1
1 601 . 1 1 1 A 49 49 PHE N N 49 123.801 116.203 7.598 1
1 602 . 1 1 1 A 50 50 ASP H H 50 8.558 8.383 0.175 1
1 603 . 1 1 1 A 50 50 ASP HA H 50 4.561 4.377 0.184 1
1 606 . 1 1 1 A 50 50 ASP C C 50 176.610 178.363 -1.753 1
1 607 . 1 1 1 A 50 50 ASP CA C 50 56.100 56.896 -0.796 1
1 608 . 1 1 1 A 50 50 ASP CB C 50 40.350 40.833 -0.483 1
1 609 . 1 1 1 A 50 50 ASP N N 50 115.500 119.176 -3.676 1
1 610 . 1 1 1 A 51 51 ALA H H 51 7.539 8.067 -0.528 1
1 611 . 1 1 1 A 51 51 ALA HA H 51 4.498 4.145 0.353 1
1 615 . 1 1 1 A 51 51 ALA C C 51 177.370 178.389 -1.019 1
1 616 . 1 1 1 A 51 51 ALA CA C 51 51.850 55.409 -3.559 1
1 617 . 1 1 1 A 51 51 ALA CB C 51 20.280 18.437 1.843 1
1 618 . 1 1 1 A 51 51 ALA N N 51 119.500 121.096 -1.596 1
1 619 . 1 1 1 A 52 52 THR H H 52 7.503 7.451 0.052 1
1 620 . 1 1 1 A 52 52 THR HA H 52 4.376 4.334 0.042 1
1 625 . 1 1 1 A 52 52 THR C C 52 172.780 173.890 -1.110 1
1 626 . 1 1 1 A 52 52 THR CA C 52 63.450 62.678 0.772 1
1 627 . 1 1 1 A 52 52 THR CB C 52 69.910 68.424 1.486 1
1 629 . 1 1 1 A 52 52 THR N N 52 117.700 114.104 3.596 1
1 630 . 1 1 1 A 53 53 THR H H 53 8.354 8.130 0.224 1
1 631 . 1 1 1 A 53 53 THR HA H 53 4.521 4.808 -0.287 1
1 636 . 1 1 1 A 53 53 THR C C 53 173.000 174.373 -1.373 1
1 637 . 1 1 1 A 53 53 THR CA C 53 62.110 60.974 1.136 1
1 638 . 1 1 1 A 53 53 THR CB C 53 70.380 69.847 0.533 1
1 640 . 1 1 1 A 53 53 THR N N 53 120.700 118.300 2.400 1
1 641 . 1 1 1 A 54 54 VAL H H 54 9.223 9.061 0.162 1
1 642 . 1 1 1 A 54 54 VAL HA H 54 4.256 4.639 -0.383 1
1 650 . 1 1 1 A 54 54 VAL C C 54 173.500 174.773 -1.273 1
1 651 . 1 1 1 A 54 54 VAL CA C 54 61.330 61.194 0.136 1
1 652 . 1 1 1 A 54 54 VAL CB C 54 33.090 33.613 -0.523 1
1 655 . 1 1 1 A 54 54 VAL N N 54 126.200 126.557 -0.357 1
1 656 . 1 1 1 A 55 55 LYS H H 55 9.074 8.999 0.075 1
1 657 . 1 1 1 A 55 55 LYS HA H 55 4.847 4.989 -0.142 1
1 666 . 1 1 1 A 55 55 LYS C C 55 174.610 174.502 0.108 1
1 667 . 1 1 1 A 55 55 LYS CA C 55 54.265 54.171 0.094 1
1 668 . 1 1 1 A 55 55 LYS CB C 55 36.111 34.973 1.138 1
1 672 . 1 1 1 A 55 55 LYS N N 55 124.700 122.196 2.504 1
1 673 . 1 1 1 A 56 56 ASP H H 56 8.111 8.549 -0.438 1
1 674 . 1 1 1 A 56 56 ASP HA H 56 4.553 4.267 0.286 1
1 677 . 1 1 1 A 56 56 ASP C C 56 177.720 177.311 0.409 1
1 678 . 1 1 1 A 56 56 ASP CA C 56 56.040 55.863 0.177 1
1 679 . 1 1 1 A 56 56 ASP CB C 56 43.070 40.370 2.700 1
1 680 . 1 1 1 A 56 56 ASP N N 56 116.700 121.794 -5.094 1
1 681 . 1 1 1 A 57 57 GLY H H 57 9.330 8.751 0.579 1
1 682 . 1 1 1 A 57 57 GLY HA2 H 57 4.343 3.932 0.411 1
1 683 . 1 1 1 A 57 57 GLY HA3 H 57 3.652 3.933 -0.281 1
1 684 . 1 1 1 A 57 57 GLY C C 57 175.140 173.151 1.989 1
1 685 . 1 1 1 A 57 57 GLY CA C 57 44.869 46.623 -1.754 1
1 686 . 1 1 1 A 57 57 GLY N N 57 113.900 113.306 0.594 1
1 687 . 1 1 1 A 58 58 ASP H H 58 8.104 7.372 0.732 1
1 688 . 1 1 1 A 58 58 ASP HA H 58 4.808 5.148 -0.340 1
1 691 . 1 1 1 A 58 58 ASP C C 58 174.100 173.919 0.181 1
1 692 . 1 1 1 A 58 58 ASP CA C 58 55.700 53.149 2.551 1
1 693 . 1 1 1 A 58 58 ASP CB C 58 42.080 45.161 -3.081 1
1 694 . 1 1 1 A 58 58 ASP N N 58 122.600 118.862 3.738 1
1 695 . 1 1 1 A 59 59 ALA H H 59 8.326 8.815 -0.489 1
1 696 . 1 1 1 A 59 59 ALA HA H 59 5.208 5.109 0.099 1
1 700 . 1 1 1 A 59 59 ALA C C 59 174.350 175.445 -1.095 1
1 701 . 1 1 1 A 59 59 ALA CA C 59 50.110 51.157 -1.047 1
1 702 . 1 1 1 A 59 59 ALA CB C 59 20.760 20.942 -0.182 1
1 703 . 1 1 1 A 59 59 ALA N N 59 121.100 123.549 -2.449 1
1 704 . 1 1 1 A 60 60 VAL H H 60 9.061 8.964 0.097 1
1 705 . 1 1 1 A 60 60 VAL HA H 60 4.117 4.835 -0.718 1
1 713 . 1 1 1 A 60 60 VAL C C 60 174.300 174.048 0.252 1
1 714 . 1 1 1 A 60 60 VAL CA C 60 61.830 60.256 1.574 1
1 715 . 1 1 1 A 60 60 VAL CB C 60 33.640 34.028 -0.388 1
1 718 . 1 1 1 A 60 60 VAL N N 60 121.800 124.509 -2.709 1
1 719 . 1 1 1 A 61 61 GLU H H 61 9.027 9.388 -0.361 1
1 720 . 1 1 1 A 61 61 GLU HA H 61 4.778 5.027 -0.249 1
1 725 . 1 1 1 A 61 61 GLU C C 61 176.200 174.858 1.342 1
1 726 . 1 1 1 A 61 61 GLU CA C 61 54.152 55.805 -1.653 1
1 727 . 1 1 1 A 61 61 GLU CB C 61 32.477 30.216 2.261 1
1 729 . 1 1 1 A 61 61 GLU N N 61 123.900 127.975 -4.075 1
1 730 . 1 1 1 A 62 62 PHE H H 62 9.075 9.099 -0.024 1
1 731 . 1 1 1 A 62 62 PHE HA H 62 5.317 5.116 0.201 1
1 739 . 1 1 1 A 62 62 PHE C C 62 174.490 174.207 0.283 1
1 740 . 1 1 1 A 62 62 PHE CA C 62 54.910 56.686 -1.776 1
1 741 . 1 1 1 A 62 62 PHE CB C 62 39.640 40.840 -1.200 1
1 747 . 1 1 1 A 62 62 PHE N N 62 122.000 126.670 -4.670 1
1 748 . 1 1 1 A 63 63 LEU H H 63 8.996 8.780 0.216 1
1 749 . 1 1 1 A 63 63 LEU HA H 63 4.643 4.720 -0.077 1
1 759 . 1 1 1 A 63 63 LEU C C 63 175.030 177.493 -2.463 1
1 760 . 1 1 1 A 63 63 LEU CA C 63 53.630 54.088 -0.458 1
1 761 . 1 1 1 A 63 63 LEU CB C 63 44.680 43.039 1.641 1
1 765 . 1 1 1 A 63 63 LEU N N 63 125.000 127.750 -2.750 1
1 766 . 1 1 1 A 64 64 TYR H H 64 8.669 8.503 0.166 1
1 767 . 1 1 1 A 64 64 TYR HA H 64 4.758 4.754 0.004 1
1 774 . 1 1 1 A 64 64 TYR C C 64 175.630 176.001 -0.371 1
1 775 . 1 1 1 A 64 64 TYR CA C 64 57.460 57.869 -0.409 1
1 776 . 1 1 1 A 64 64 TYR CB C 64 39.690 39.160 0.530 1
1 781 . 1 1 1 A 64 64 TYR N N 64 120.100 120.863 -0.763 1
1 782 . 1 1 1 A 65 65 PHE H H 65 8.688 7.538 1.150 1
1 783 . 1 1 1 A 65 65 PHE HA H 65 4.777 4.246 0.531 1
1 791 . 1 1 1 A 65 65 PHE C C 65 175.940 175.301 0.639 1
1 792 . 1 1 1 A 65 65 PHE CA C 65 57.325 57.770 -0.445 1
1 793 . 1 1 1 A 65 65 PHE CB C 65 39.340 39.469 -0.129 1
1 799 . 1 1 1 A 65 65 PHE N N 65 122.100 120.010 2.090 1
1 800 . 1 1 1 A 66 66 MET H H 66 8.611 9.017 -0.406 1
1 801 . 1 1 1 A 66 66 MET HA H 66 4.537 4.403 0.134 1
1 806 . 1 1 1 A 66 66 MET C C 66 176.630 174.865 1.765 1
1 807 . 1 1 1 A 66 66 MET CA C 66 55.370 55.722 -0.352 1
1 808 . 1 1 1 A 66 66 MET CB C 66 32.710 31.985 0.725 1
1 810 . 1 1 1 A 66 66 MET N N 66 121.700 119.325 2.375 1
1 811 . 1 1 1 A 67 67 GLY H H 67 8.213 8.435 -0.222 1
1 812 . 1 1 1 A 67 67 GLY HA2 H 67 3.928 4.229 -0.301 1
1 813 . 1 1 1 A 67 67 GLY HA3 H 67 3.928 4.258 -0.330 1
1 814 . 1 1 1 A 67 67 GLY C C 67 174.800 172.093 2.707 1
1 815 . 1 1 1 A 67 67 GLY CA C 67 45.359 46.141 -0.782 1
1 816 . 1 1 1 A 67 67 GLY N N 67 109.600 110.184 -0.584 1
1 817 . 1 1 1 A 68 68 GLY H H 68 8.353 7.733 0.620 1
1 818 . 1 1 1 A 68 68 GLY HA2 H 68 4.862 4.126 0.736 1
1 819 . 1 1 1 A 68 68 GLY HA3 H 68 4.861 4.132 0.729 1
1 820 . 1 1 1 A 68 68 GLY C C 68 174.760 174.674 0.086 1
1 821 . 1 1 1 A 68 68 GLY CA C 68 45.402 45.294 0.108 1
1 822 . 1 1 1 A 68 68 GLY N N 68 108.600 107.816 0.784 1
1 823 . 1 1 1 A 69 69 GLY H H 69 8.406 8.893 -0.487 1
1 824 . 1 1 1 A 69 69 GLY HA2 H 69 3.953 3.911 0.042 1
1 825 . 1 1 1 A 69 69 GLY HA3 H 69 3.953 3.912 0.041 1
1 826 . 1 1 1 A 69 69 GLY C C 69 174.070 173.635 0.435 1
1 827 . 1 1 1 A 69 69 GLY CA C 69 45.242 45.247 -0.005 1
1 828 . 1 1 1 A 69 69 GLY N N 69 109.100 112.312 -3.212 1
1 829 . 1 1 1 A 70 70 LYS H H 70 8.153 7.469 0.684 1
1 830 . 1 1 1 A 70 70 LYS HA H 70 4.255 4.630 -0.375 1
1 839 . 1 1 1 A 70 70 LYS C C 70 176.490 174.913 1.577 1
1 840 . 1 1 1 A 70 70 LYS CA C 70 56.370 55.997 0.373 1
1 841 . 1 1 1 A 70 70 LYS CB C 70 33.130 34.389 -1.259 1
1 845 . 1 1 1 A 70 70 LYS N N 70 120.500 119.586 0.914 1
1 846 . 1 1 1 A 71 71 LEU H H 71 8.253 8.790 -0.537 1
1 847 . 1 1 1 A 71 71 LEU HA H 71 4.285 4.612 -0.327 1
1 857 . 1 1 1 A 71 71 LEU C C 71 177.110 176.269 0.841 1
1 858 . 1 1 1 A 71 71 LEU CA C 71 55.120 54.280 0.840 1
1 859 . 1 1 1 A 71 71 LEU CB C 71 42.236 43.040 -0.804 1
1 863 . 1 1 1 A 71 71 LEU N N 71 122.905 127.808 -4.903 1
1 864 . 1 1 1 A 72 72 GLU H H 72 8.343 7.697 0.646 1
1 865 . 1 1 1 A 72 72 GLU HA H 72 4.238 4.082 0.156 1
1 870 . 1 1 1 A 72 72 GLU C C 72 176.100 175.314 0.786 1
1 871 . 1 1 1 A 72 72 GLU CA C 72 56.760 56.326 0.434 1
1 872 . 1 1 1 A 72 72 GLU CB C 72 30.619 29.579 1.040 1
1 874 . 1 1 1 A 72 72 GLU N N 72 121.500 122.618 -1.118 1
1 875 . 1 1 1 A 73 73 HIS H H 73 8.404 8.416 -0.012 1
1 876 . 1 1 1 A 73 73 HIS HA H 73 4.593 4.758 -0.165 1
1 879 . 1 1 1 A 73 73 HIS C C 73 173.840 175.044 -1.204 1
1 880 . 1 1 1 A 73 73 HIS CA C 73 55.777 56.698 -0.921 1
1 881 . 1 1 1 A 73 73 HIS CB C 73 30.080 32.038 -1.958 1
1 882 . 1 1 1 A 73 73 HIS N N 73 119.733 125.685 -5.952 1
1 883 . 1 1 1 A 74 74 HIS H H 74 8.213 7.977 0.236 1
1 884 . 1 1 1 A 74 74 HIS CA C 74 57.175 56.647 0.528 1
1 885 . 1 1 1 A 74 74 HIS CB C 74 30.671 28.516 2.155 1
1 9 . 2 1 1 A 2 2 ASN H H 2 9.645 8.661 0.984 1
1 10 . 2 1 1 A 2 2 ASN HA H 2 5.430 5.121 0.309 1
1 15 . 2 1 1 A 2 2 ASN CA C 2 52.761 53.057 -0.296 1
1 16 . 2 1 1 A 2 2 ASN CB C 2 40.140 39.525 0.615 1
1 17 . 2 1 1 A 2 2 ASN N N 2 125.300 122.512 2.788 1
1 19 . 2 1 1 A 3 3 LEU H H 3 8.769 8.991 -0.222 1
1 20 . 2 1 1 A 3 3 LEU HA H 3 4.949 5.114 -0.165 1
1 30 . 2 1 1 A 3 3 LEU C C 3 176.320 176.010 0.310 1
1 31 . 2 1 1 A 3 3 LEU CA C 3 54.223 53.453 0.770 1
1 32 . 2 1 1 A 3 3 LEU CB C 3 45.941 43.998 1.943 1
1 36 . 2 1 1 A 3 3 LEU N N 3 121.800 125.086 -3.286 1
1 37 . 2 1 1 A 4 4 THR H H 4 8.329 8.935 -0.606 1
1 38 . 2 1 1 A 4 4 THR HA H 4 4.744 4.611 0.133 1
1 43 . 2 1 1 A 4 4 THR C C 4 173.650 173.976 -0.326 1
1 44 . 2 1 1 A 4 4 THR CA C 4 62.150 61.953 0.197 1
1 45 . 2 1 1 A 4 4 THR CB C 4 69.430 66.790 2.640 1
1 47 . 2 1 1 A 4 4 THR N N 4 116.200 119.826 -3.626 1
1 48 . 2 1 1 A 5 5 VAL H H 5 8.955 8.278 0.677 1
1 49 . 2 1 1 A 5 5 VAL HA H 5 4.683 4.295 0.388 1
1 57 . 2 1 1 A 5 5 VAL C C 5 176.470 176.459 0.011 1
1 58 . 2 1 1 A 5 5 VAL CA C 5 60.724 63.061 -2.337 1
1 59 . 2 1 1 A 5 5 VAL CB C 5 33.590 31.034 2.556 1
1 62 . 2 1 1 A 5 5 VAL N N 5 126.000 125.935 0.065 1
1 63 . 2 1 1 A 6 6 ASN H H 6 9.534 9.530 0.004 1
1 64 . 2 1 1 A 6 6 ASN HA H 6 4.636 4.454 0.182 1
1 69 . 2 1 1 A 6 6 ASN C C 6 175.900 175.430 0.470 1
1 70 . 2 1 1 A 6 6 ASN CA C 6 54.150 54.462 -0.312 1
1 71 . 2 1 1 A 6 6 ASN CB C 6 36.410 36.926 -0.516 1
1 72 . 2 1 1 A 6 6 ASN N N 6 129.400 127.410 1.990 1
1 74 . 2 1 1 A 7 7 GLY H H 7 8.915 7.934 0.981 1
1 75 . 2 1 1 A 7 7 GLY HA2 H 7 4.170 3.898 0.272 1
1 76 . 2 1 1 A 7 7 GLY HA3 H 7 3.485 3.902 -0.417 1
1 77 . 2 1 1 A 7 7 GLY C C 7 173.950 173.747 0.203 1
1 78 . 2 1 1 A 7 7 GLY CA C 7 45.337 45.260 0.077 1
1 79 . 2 1 1 A 7 7 GLY N N 7 102.200 105.113 -2.913 1
1 80 . 2 1 1 A 8 8 LYS H H 8 7.900 7.891 0.009 1
1 81 . 2 1 1 A 8 8 LYS HA H 8 4.987 4.553 0.434 1
1 90 . 2 1 1 A 8 8 LYS CA C 8 52.940 52.831 0.109 1
1 91 . 2 1 1 A 8 8 LYS CB C 8 34.010 33.086 0.924 1
1 95 . 2 1 1 A 8 8 LYS N N 8 121.700 121.076 0.624 1
1 96 . 2 1 1 A 9 9 PRO HA H 9 4.700 4.521 0.179 1
1 103 . 2 1 1 A 9 9 PRO C C 9 176.900 175.949 0.951 1
1 104 . 2 1 1 A 9 9 PRO CA C 9 63.990 62.786 1.204 1
1 105 . 2 1 1 A 9 9 PRO CB C 9 32.000 30.748 1.252 1
1 108 . 2 1 1 A 10 10 SER H H 10 8.970 9.053 -0.083 1
1 109 . 2 1 1 A 10 10 SER HA H 10 4.822 4.818 0.004 1
1 112 . 2 1 1 A 10 10 SER C C 10 172.800 173.661 -0.861 1
1 113 . 2 1 1 A 10 10 SER CA C 10 57.880 58.019 -0.139 1
1 114 . 2 1 1 A 10 10 SER CB C 10 66.361 63.027 3.334 1
1 115 . 2 1 1 A 10 10 SER N N 10 120.300 119.752 0.548 1
1 116 . 2 1 1 A 11 11 THR H H 11 8.590 8.853 -0.263 1
1 117 . 2 1 1 A 11 11 THR HA H 11 5.163 4.428 0.735 1
1 122 . 2 1 1 A 11 11 THR C C 11 173.720 173.819 -0.099 1
1 123 . 2 1 1 A 11 11 THR CA C 11 61.380 62.264 -0.884 1
1 124 . 2 1 1 A 11 11 THR CB C 11 71.950 67.225 4.725 1
1 126 . 2 1 1 A 11 11 THR N N 11 120.191 123.217 -3.026 1
1 127 . 2 1 1 A 12 12 VAL H H 12 8.563 8.284 0.279 1
1 128 . 2 1 1 A 12 12 VAL HA H 12 4.172 4.800 -0.628 1
1 136 . 2 1 1 A 12 12 VAL C C 12 175.380 174.196 1.184 1
1 137 . 2 1 1 A 12 12 VAL CA C 12 61.350 60.813 0.537 1
1 138 . 2 1 1 A 12 12 VAL CB C 12 33.053 33.194 -0.141 1
1 141 . 2 1 1 A 12 12 VAL N N 12 125.000 122.555 2.445 1
1 142 . 2 1 1 A 13 13 ASP H H 13 8.878 8.807 0.071 1
1 143 . 2 1 1 A 13 13 ASP HA H 13 4.501 5.169 -0.668 1
1 146 . 2 1 1 A 13 13 ASP C C 13 177.180 175.906 1.274 1
1 147 . 2 1 1 A 13 13 ASP CA C 13 55.120 52.544 2.576 1
1 148 . 2 1 1 A 13 13 ASP CB C 13 41.450 43.974 -2.524 1
1 149 . 2 1 1 A 13 13 ASP N N 13 128.300 127.420 0.880 1
1 150 . 2 1 1 A 14 14 GLY H H 14 8.697 8.627 0.070 1
1 151 . 2 1 1 A 14 14 GLY HA2 H 14 4.076 3.934 0.142 1
1 152 . 2 1 1 A 14 14 GLY HA3 H 14 3.719 3.936 -0.217 1
1 153 . 2 1 1 A 14 14 GLY C C 14 173.244 173.680 -0.436 1
1 154 . 2 1 1 A 14 14 GLY CA C 14 45.887 45.462 0.425 1
1 155 . 2 1 1 A 14 14 GLY N N 14 109.900 111.946 -2.046 1
1 156 . 2 1 1 A 15 15 ALA H H 15 7.360 7.681 -0.321 1
1 157 . 2 1 1 A 15 15 ALA HA H 15 4.601 4.545 0.056 1
1 161 . 2 1 1 A 15 15 ALA C C 15 176.240 176.312 -0.072 1
1 162 . 2 1 1 A 15 15 ALA CA C 15 51.370 51.477 -0.107 1
1 163 . 2 1 1 A 15 15 ALA CB C 15 20.970 19.706 1.264 1
1 164 . 2 1 1 A 15 15 ALA N N 15 121.213 120.851 0.362 1
1 165 . 2 1 1 A 16 16 GLU H H 16 8.967 8.755 0.212 1
1 166 . 2 1 1 A 16 16 GLU HA H 16 4.406 4.533 -0.127 1
1 171 . 2 1 1 A 16 16 GLU C C 16 175.800 176.370 -0.570 1
1 172 . 2 1 1 A 16 16 GLU CA C 16 57.170 55.358 1.812 1
1 173 . 2 1 1 A 16 16 GLU CB C 16 30.700 27.915 2.785 1
1 175 . 2 1 1 A 16 16 GLU N N 16 120.800 123.529 -2.729 1
1 176 . 2 1 1 A 17 17 SER H H 17 7.587 8.156 -0.569 1
1 177 . 2 1 1 A 17 17 SER HA H 17 4.891 4.572 0.319 1
1 180 . 2 1 1 A 17 17 SER C C 17 172.400 172.701 -0.301 1
1 181 . 2 1 1 A 17 17 SER CA C 17 57.797 58.243 -0.446 1
1 182 . 2 1 1 A 17 17 SER CB C 17 64.571 61.140 3.431 1
1 183 . 2 1 1 A 17 17 SER N N 17 111.600 118.568 -6.968 1
1 184 . 2 1 1 A 18 18 LEU H H 18 8.285 8.586 -0.301 1
1 185 . 2 1 1 A 18 18 LEU HA H 18 4.810 4.897 -0.087 1
1 195 . 2 1 1 A 18 18 LEU C C 18 175.800 175.582 0.218 1
1 196 . 2 1 1 A 18 18 LEU CA C 18 54.230 53.704 0.526 1
1 197 . 2 1 1 A 18 18 LEU CB C 18 47.430 45.446 1.984 1
1 201 . 2 1 1 A 18 18 LEU N N 18 122.165 121.620 0.545 1
1 202 . 2 1 1 A 19 19 ASN H H 19 8.920 8.590 0.330 1
1 203 . 2 1 1 A 19 19 ASN HA H 19 5.768 5.111 0.657 1
1 208 . 2 1 1 A 19 19 ASN C C 19 176.170 176.598 -0.428 1
1 209 . 2 1 1 A 19 19 ASN CA C 19 51.650 51.502 0.148 1
1 210 . 2 1 1 A 19 19 ASN CB C 19 38.430 39.439 -1.009 1
1 211 . 2 1 1 A 19 19 ASN N N 19 118.700 118.694 0.006 1
1 213 . 2 1 1 A 20 20 VAL H H 20 7.805 8.674 -0.869 1
1 214 . 2 1 1 A 20 20 VAL HA H 20 3.297 3.589 -0.292 1
1 222 . 2 1 1 A 20 20 VAL C C 20 176.770 177.334 -0.564 1
1 223 . 2 1 1 A 20 20 VAL CA C 20 67.360 66.028 1.332 1
1 224 . 2 1 1 A 20 20 VAL CB C 20 30.940 31.239 -0.299 1
1 227 . 2 1 1 A 20 20 VAL N N 20 117.900 120.465 -2.565 1
1 228 . 2 1 1 A 21 21 THR H H 21 7.230 8.183 -0.953 1
1 229 . 2 1 1 A 21 21 THR HA H 21 3.665 3.926 -0.261 1
1 234 . 2 1 1 A 21 21 THR C C 21 177.360 176.034 1.326 1
1 235 . 2 1 1 A 21 21 THR CA C 21 67.077 67.324 -0.247 1
1 236 . 2 1 1 A 21 21 THR CB C 21 68.460 68.533 -0.073 1
1 238 . 2 1 1 A 21 21 THR N N 21 117.400 117.037 0.363 1
1 239 . 2 1 1 A 22 22 GLU H H 22 8.750 8.294 0.456 1
1 240 . 2 1 1 A 22 22 GLU HA H 22 4.046 4.033 0.013 1
1 245 . 2 1 1 A 22 22 GLU C C 22 179.910 178.987 0.923 1
1 246 . 2 1 1 A 22 22 GLU CA C 22 58.550 59.181 -0.631 1
1 247 . 2 1 1 A 22 22 GLU CB C 22 30.550 29.746 0.804 1
1 249 . 2 1 1 A 22 22 GLU N N 22 121.238 120.097 1.141 1
1 250 . 2 1 1 A 23 23 LEU H H 23 8.766 8.166 0.600 1
1 251 . 2 1 1 A 23 23 LEU HA H 23 3.935 3.949 -0.014 1
1 261 . 2 1 1 A 23 23 LEU C C 23 177.800 178.464 -0.664 1
1 262 . 2 1 1 A 23 23 LEU CA C 23 58.240 58.252 -0.012 1
1 263 . 2 1 1 A 23 23 LEU CB C 23 41.844 41.560 0.284 1
1 267 . 2 1 1 A 23 23 LEU N N 23 123.900 122.272 1.628 1
1 268 . 2 1 1 A 24 24 LEU H H 24 8.305 8.455 -0.150 1
1 269 . 2 1 1 A 24 24 LEU HA H 24 3.690 3.989 -0.299 1
1 279 . 2 1 1 A 24 24 LEU C C 24 179.620 179.323 0.297 1
1 280 . 2 1 1 A 24 24 LEU CA C 24 58.010 58.199 -0.189 1
1 281 . 2 1 1 A 24 24 LEU CB C 24 41.320 41.679 -0.359 1
1 285 . 2 1 1 A 24 24 LEU N N 24 117.100 119.179 -2.079 1
1 286 . 2 1 1 A 25 25 SER H H 25 7.226 7.891 -0.665 1
1 287 . 2 1 1 A 25 25 SER HA H 25 4.304 4.133 0.171 1
1 290 . 2 1 1 A 25 25 SER C C 25 178.100 176.901 1.199 1
1 291 . 2 1 1 A 25 25 SER CA C 25 60.900 61.212 -0.312 1
1 292 . 2 1 1 A 25 25 SER CB C 25 62.850 63.181 -0.331 1
1 293 . 2 1 1 A 25 25 SER N N 25 111.500 114.125 -2.625 1
1 294 . 2 1 1 A 26 26 ALA H H 26 8.712 8.138 0.574 1
1 295 . 2 1 1 A 26 26 ALA HA H 26 4.138 4.082 0.056 1
1 299 . 2 1 1 A 26 26 ALA C C 26 180.000 179.722 0.278 1
1 300 . 2 1 1 A 26 26 ALA CA C 26 55.180 54.705 0.475 1
1 301 . 2 1 1 A 26 26 ALA CB C 26 18.200 18.558 -0.358 1
1 302 . 2 1 1 A 26 26 ALA N N 26 126.100 122.850 3.250 1
1 303 . 2 1 1 A 27 27 LEU H H 27 8.050 7.743 0.307 1
1 304 . 2 1 1 A 27 27 LEU HA H 27 4.314 4.145 0.169 1
1 314 . 2 1 1 A 27 27 LEU C C 27 175.810 175.843 -0.033 1
1 315 . 2 1 1 A 27 27 LEU CA C 27 54.307 54.750 -0.443 1
1 316 . 2 1 1 A 27 27 LEU CB C 27 42.021 41.990 0.031 1
1 320 . 2 1 1 A 27 27 LEU N N 27 114.250 115.951 -1.701 1
1 321 . 2 1 1 A 28 28 LYS H H 28 7.766 7.546 0.220 1
1 322 . 2 1 1 A 28 28 LYS HA H 28 3.869 3.898 -0.029 1
1 331 . 2 1 1 A 28 28 LYS C C 28 176.030 175.344 0.686 1
1 332 . 2 1 1 A 28 28 LYS CA C 28 56.630 57.480 -0.850 1
1 333 . 2 1 1 A 28 28 LYS CB C 28 28.893 29.390 -0.497 1
1 337 . 2 1 1 A 28 28 LYS N N 28 117.700 116.514 1.186 1
1 338 . 2 1 1 A 29 29 VAL H H 29 7.583 7.627 -0.044 1
1 339 . 2 1 1 A 29 29 VAL HA H 29 3.520 4.187 -0.667 1
1 347 . 2 1 1 A 29 29 VAL C C 29 176.410 175.929 0.481 1
1 348 . 2 1 1 A 29 29 VAL CA C 29 63.741 62.623 1.118 1
1 349 . 2 1 1 A 29 29 VAL CB C 29 31.840 32.396 -0.556 1
1 352 . 2 1 1 A 29 29 VAL N N 29 119.200 120.083 -0.883 1
1 353 . 2 1 1 A 30 30 ALA H H 30 8.543 9.010 -0.467 1
1 354 . 2 1 1 A 30 30 ALA HA H 30 4.215 4.461 -0.246 1
1 358 . 2 1 1 A 30 30 ALA C C 30 177.710 177.874 -0.164 1
1 359 . 2 1 1 A 30 30 ALA CA C 30 52.330 52.794 -0.464 1
1 360 . 2 1 1 A 30 30 ALA CB C 30 19.170 18.714 0.456 1
1 361 . 2 1 1 A 30 30 ALA N N 30 131.100 130.089 1.011 1
1 362 . 2 1 1 A 31 31 GLN H H 31 8.982 7.920 1.062 1
1 363 . 2 1 1 A 31 31 GLN HA H 31 4.162 4.927 -0.765 1
1 370 . 2 1 1 A 31 31 GLN C C 31 176.670 176.193 0.477 1
1 371 . 2 1 1 A 31 31 GLN CA C 31 56.100 55.110 0.990 1
1 372 . 2 1 1 A 31 31 GLN CB C 31 27.390 29.865 -2.475 1
1 374 . 2 1 1 A 31 31 GLN N N 31 117.300 118.500 -1.200 1
1 376 . 2 1 1 A 32 32 ALA H H 32 8.029 8.114 -0.085 1
1 377 . 2 1 1 A 32 32 ALA HA H 32 3.738 4.111 -0.373 1
1 381 . 2 1 1 A 32 32 ALA C C 32 178.700 179.855 -1.155 1
1 382 . 2 1 1 A 32 32 ALA CA C 32 55.010 54.906 0.104 1
1 383 . 2 1 1 A 32 32 ALA CB C 32 18.647 18.756 -0.109 1
1 384 . 2 1 1 A 32 32 ALA N N 32 119.900 122.959 -3.059 1
1 385 . 2 1 1 A 33 33 GLU H H 33 9.338 7.821 1.517 1
1 386 . 2 1 1 A 33 33 GLU HA H 33 4.037 3.966 0.071 1
1 391 . 2 1 1 A 33 33 GLU C C 33 176.370 177.115 -0.745 1
1 392 . 2 1 1 A 33 33 GLU CA C 33 58.280 58.367 -0.087 1
1 393 . 2 1 1 A 33 33 GLU CB C 33 28.670 29.535 -0.865 1
1 395 . 2 1 1 A 33 33 GLU N N 33 116.800 118.610 -1.810 1
1 396 . 2 1 1 A 34 34 TYR H H 34 8.063 8.013 0.050 1
1 397 . 2 1 1 A 34 34 TYR HA H 34 4.820 4.701 0.119 1
1 404 . 2 1 1 A 34 34 TYR C C 34 175.460 175.396 0.064 1
1 405 . 2 1 1 A 34 34 TYR CA C 34 56.800 57.338 -0.538 1
1 406 . 2 1 1 A 34 34 TYR CB C 34 39.810 38.880 0.930 1
1 411 . 2 1 1 A 34 34 TYR N N 34 116.100 116.232 -0.132 1
1 412 . 2 1 1 A 35 35 VAL H H 35 7.330 7.518 -0.188 1
1 413 . 2 1 1 A 35 35 VAL HA H 35 4.689 4.342 0.347 1
1 421 . 2 1 1 A 35 35 VAL C C 35 173.700 174.388 -0.688 1
1 422 . 2 1 1 A 35 35 VAL CA C 35 61.550 62.416 -0.866 1
1 423 . 2 1 1 A 35 35 VAL CB C 35 33.650 31.364 2.286 1
1 426 . 2 1 1 A 35 35 VAL N N 35 121.200 121.663 -0.463 1
1 427 . 2 1 1 A 36 36 THR H H 36 8.879 9.002 -0.123 1
1 428 . 2 1 1 A 36 36 THR HA H 36 4.696 4.748 -0.052 1
1 433 . 2 1 1 A 36 36 THR C C 36 172.930 173.777 -0.847 1
1 434 . 2 1 1 A 36 36 THR CA C 36 62.300 62.539 -0.239 1
1 435 . 2 1 1 A 36 36 THR CB C 36 70.500 68.042 2.458 1
1 437 . 2 1 1 A 36 36 THR N N 36 126.800 125.079 1.721 1
1 438 . 2 1 1 A 37 37 VAL H H 37 9.616 8.558 1.058 1
1 439 . 2 1 1 A 37 37 VAL HA H 37 5.072 4.879 0.193 1
1 447 . 2 1 1 A 37 37 VAL C C 37 174.820 175.034 -0.214 1
1 448 . 2 1 1 A 37 37 VAL CA C 37 59.440 59.163 0.277 1
1 449 . 2 1 1 A 37 37 VAL CB C 37 35.270 34.093 1.177 1
1 452 . 2 1 1 A 37 37 VAL N N 37 127.600 121.922 5.678 1
1 453 . 2 1 1 A 38 38 GLU H H 38 8.934 8.817 0.117 1
1 454 . 2 1 1 A 38 38 GLU HA H 38 5.059 5.296 -0.237 1
1 459 . 2 1 1 A 38 38 GLU C C 38 174.850 174.549 0.301 1
1 460 . 2 1 1 A 38 38 GLU CA C 38 53.989 54.580 -0.591 1
1 461 . 2 1 1 A 38 38 GLU CB C 38 32.599 32.203 0.396 1
1 463 . 2 1 1 A 38 38 GLU N N 38 126.700 123.601 3.099 1
1 464 . 2 1 1 A 39 39 LEU H H 39 9.004 8.637 0.367 1
1 465 . 2 1 1 A 39 39 LEU HA H 39 5.082 4.460 0.622 1
1 474 . 2 1 1 A 39 39 LEU C C 39 175.890 176.934 -1.044 1
1 475 . 2 1 1 A 39 39 LEU CA C 39 53.030 53.966 -0.936 1
1 476 . 2 1 1 A 39 39 LEU CB C 39 45.640 41.399 4.241 1
1 479 . 2 1 1 A 39 39 LEU N N 39 128.700 126.241 2.459 1
1 480 . 2 1 1 A 40 40 ASN H H 40 10.210 9.744 0.466 1
1 481 . 2 1 1 A 40 40 ASN HA H 40 4.495 4.463 0.032 1
1 486 . 2 1 1 A 40 40 ASN C C 40 175.620 175.433 0.187 1
1 487 . 2 1 1 A 40 40 ASN CA C 40 54.540 54.507 0.033 1
1 488 . 2 1 1 A 40 40 ASN CB C 40 37.280 37.043 0.237 1
1 489 . 2 1 1 A 40 40 ASN N N 40 128.749 124.867 3.882 1
1 491 . 2 1 1 A 41 41 GLY H H 41 8.913 8.509 0.404 1
1 492 . 2 1 1 A 41 41 GLY HA2 H 41 4.162 3.819 0.343 1
1 493 . 2 1 1 A 41 41 GLY HA3 H 41 3.625 3.820 -0.195 1
1 494 . 2 1 1 A 41 41 GLY C C 41 173.380 173.530 -0.150 1
1 495 . 2 1 1 A 41 41 GLY CA C 41 45.220 45.448 -0.228 1
1 496 . 2 1 1 A 41 41 GLY N N 41 102.811 104.556 -1.745 1
1 497 . 2 1 1 A 42 42 GLU H H 42 7.716 7.804 -0.088 1
1 498 . 2 1 1 A 42 42 GLU HA H 42 4.655 4.684 -0.029 1
1 503 . 2 1 1 A 42 42 GLU C C 42 175.300 175.656 -0.356 1
1 504 . 2 1 1 A 42 42 GLU CA C 42 54.190 54.801 -0.611 1
1 505 . 2 1 1 A 42 42 GLU CB C 42 31.770 31.998 -0.228 1
1 507 . 2 1 1 A 42 42 GLU N N 42 120.731 120.965 -0.234 1
1 508 . 2 1 1 A 43 43 VAL H H 43 8.872 8.618 0.254 1
1 509 . 2 1 1 A 43 43 VAL HA H 43 4.025 4.292 -0.267 1
1 517 . 2 1 1 A 43 43 VAL C C 43 176.260 175.380 0.880 1
1 518 . 2 1 1 A 43 43 VAL CA C 43 64.110 62.773 1.337 1
1 519 . 2 1 1 A 43 43 VAL CB C 43 31.500 32.944 -1.444 1
1 522 . 2 1 1 A 43 43 VAL N N 43 126.800 127.463 -0.663 1
1 523 . 2 1 1 A 44 44 LEU H H 44 8.810 8.434 0.376 1
1 524 . 2 1 1 A 44 44 LEU HA H 44 4.656 4.873 -0.217 1
1 534 . 2 1 1 A 44 44 LEU C C 44 177.620 176.969 0.651 1
1 535 . 2 1 1 A 44 44 LEU CA C 44 53.750 53.421 0.329 1
1 536 . 2 1 1 A 44 44 LEU CB C 44 44.080 44.060 0.020 1
1 540 . 2 1 1 A 44 44 LEU N N 44 129.200 128.689 0.511 1
1 541 . 2 1 1 A 45 45 GLU H H 45 8.742 8.982 -0.240 1
1 542 . 2 1 1 A 45 45 GLU HA H 45 4.465 4.356 0.109 1
1 547 . 2 1 1 A 45 45 GLU C C 45 177.440 178.086 -0.646 1
1 548 . 2 1 1 A 45 45 GLU CA C 45 55.270 56.293 -1.023 1
1 549 . 2 1 1 A 45 45 GLU CB C 45 29.830 30.574 -0.744 1
1 551 . 2 1 1 A 45 45 GLU N N 45 122.500 121.244 1.256 1
1 552 . 2 1 1 A 46 46 ARG H H 46 8.674 8.657 0.017 1
1 553 . 2 1 1 A 46 46 ARG HA H 46 2.384 2.278 0.106 1
1 560 . 2 1 1 A 46 46 ARG C C 46 179.080 178.232 0.848 1
1 561 . 2 1 1 A 46 46 ARG CA C 46 58.150 59.220 -1.070 1
1 562 . 2 1 1 A 46 46 ARG CB C 46 29.050 29.354 -0.304 1
1 565 . 2 1 1 A 46 46 ARG N N 46 124.600 122.932 1.668 1
1 566 . 2 1 1 A 47 47 GLU H H 47 9.010 7.786 1.224 1
1 567 . 2 1 1 A 47 47 GLU HA H 47 4.008 4.049 -0.041 1
1 572 . 2 1 1 A 47 47 GLU C C 47 176.700 178.621 -1.921 1
1 573 . 2 1 1 A 47 47 GLU CA C 47 58.720 58.833 -0.113 1
1 574 . 2 1 1 A 47 47 GLU CB C 47 28.590 29.158 -0.568 1
1 576 . 2 1 1 A 47 47 GLU N N 47 117.300 119.060 -1.760 1
1 577 . 2 1 1 A 48 48 ALA H H 48 8.011 8.024 -0.013 1
1 578 . 2 1 1 A 48 48 ALA HA H 48 4.749 4.211 0.538 1
1 582 . 2 1 1 A 48 48 ALA C C 48 180.070 179.548 0.522 1
1 583 . 2 1 1 A 48 48 ALA CA C 48 51.780 54.367 -2.587 1
1 584 . 2 1 1 A 48 48 ALA CB C 48 19.390 18.525 0.865 1
1 585 . 2 1 1 A 48 48 ALA N N 48 120.200 121.421 -1.221 1
1 586 . 2 1 1 A 49 49 PHE H H 49 8.002 7.389 0.613 1
1 587 . 2 1 1 A 49 49 PHE HA H 49 4.305 4.349 -0.044 1
1 594 . 2 1 1 A 49 49 PHE C C 49 177.710 178.287 -0.577 1
1 595 . 2 1 1 A 49 49 PHE CA C 49 59.969 61.680 -1.711 1
1 596 . 2 1 1 A 49 49 PHE CB C 49 36.820 38.521 -1.701 1
1 601 . 2 1 1 A 49 49 PHE N N 49 123.801 116.193 7.608 1
1 602 . 2 1 1 A 50 50 ASP H H 50 8.558 8.424 0.134 1
1 603 . 2 1 1 A 50 50 ASP HA H 50 4.561 4.484 0.077 1
1 606 . 2 1 1 A 50 50 ASP C C 50 176.610 177.484 -0.874 1
1 607 . 2 1 1 A 50 50 ASP CA C 50 56.100 56.501 -0.401 1
1 608 . 2 1 1 A 50 50 ASP CB C 50 40.350 41.039 -0.689 1
1 609 . 2 1 1 A 50 50 ASP N N 50 115.500 118.068 -2.568 1
1 610 . 2 1 1 A 51 51 ALA H H 51 7.539 7.442 0.097 1
1 611 . 2 1 1 A 51 51 ALA HA H 51 4.498 4.422 0.076 1
1 615 . 2 1 1 A 51 51 ALA C C 51 177.370 175.911 1.459 1
1 616 . 2 1 1 A 51 51 ALA CA C 51 51.850 52.279 -0.429 1
1 617 . 2 1 1 A 51 51 ALA CB C 51 20.280 19.191 1.089 1
1 618 . 2 1 1 A 51 51 ALA N N 51 119.500 120.513 -1.013 1
1 619 . 2 1 1 A 52 52 THR H H 52 7.503 7.589 -0.086 1
1 620 . 2 1 1 A 52 52 THR HA H 52 4.376 4.943 -0.567 1
1 625 . 2 1 1 A 52 52 THR C C 52 172.780 173.601 -0.821 1
1 626 . 2 1 1 A 52 52 THR CA C 52 63.450 61.605 1.845 1
1 627 . 2 1 1 A 52 52 THR CB C 52 69.910 71.289 -1.379 1
1 629 . 2 1 1 A 52 52 THR N N 52 117.700 114.436 3.264 1
1 630 . 2 1 1 A 53 53 THR H H 53 8.354 8.765 -0.411 1
1 631 . 2 1 1 A 53 53 THR HA H 53 4.521 4.718 -0.197 1
1 636 . 2 1 1 A 53 53 THR C C 53 173.000 173.870 -0.870 1
1 637 . 2 1 1 A 53 53 THR CA C 53 62.110 61.120 0.990 1
1 638 . 2 1 1 A 53 53 THR CB C 53 70.380 69.892 0.488 1
1 640 . 2 1 1 A 53 53 THR N N 53 120.700 119.454 1.246 1
1 641 . 2 1 1 A 54 54 VAL H H 54 9.223 9.245 -0.022 1
1 642 . 2 1 1 A 54 54 VAL HA H 54 4.256 4.840 -0.584 1
1 650 . 2 1 1 A 54 54 VAL C C 54 173.500 174.836 -1.336 1
1 651 . 2 1 1 A 54 54 VAL CA C 54 61.330 61.450 -0.120 1
1 652 . 2 1 1 A 54 54 VAL CB C 54 33.090 32.499 0.591 1
1 655 . 2 1 1 A 54 54 VAL N N 54 126.200 126.468 -0.268 1
1 656 . 2 1 1 A 55 55 LYS H H 55 9.074 8.876 0.198 1
1 657 . 2 1 1 A 55 55 LYS HA H 55 4.847 4.856 -0.009 1
1 666 . 2 1 1 A 55 55 LYS C C 55 174.610 174.086 0.524 1
1 667 . 2 1 1 A 55 55 LYS CA C 55 54.265 54.593 -0.328 1
1 668 . 2 1 1 A 55 55 LYS CB C 55 36.111 33.706 2.405 1
1 672 . 2 1 1 A 55 55 LYS N N 55 124.700 124.485 0.215 1
1 673 . 2 1 1 A 56 56 ASP H H 56 8.111 8.576 -0.465 1
1 674 . 2 1 1 A 56 56 ASP HA H 56 4.553 4.378 0.175 1
1 677 . 2 1 1 A 56 56 ASP C C 56 177.720 176.692 1.028 1
1 678 . 2 1 1 A 56 56 ASP CA C 56 56.040 54.791 1.249 1
1 679 . 2 1 1 A 56 56 ASP CB C 56 43.070 40.517 2.553 1
1 680 . 2 1 1 A 56 56 ASP N N 56 116.700 120.753 -4.053 1
1 681 . 2 1 1 A 57 57 GLY H H 57 9.330 8.936 0.394 1
1 682 . 2 1 1 A 57 57 GLY HA2 H 57 4.343 4.033 0.310 1
1 683 . 2 1 1 A 57 57 GLY HA3 H 57 3.652 4.035 -0.383 1
1 684 . 2 1 1 A 57 57 GLY C C 57 175.140 174.042 1.098 1
1 685 . 2 1 1 A 57 57 GLY CA C 57 44.869 44.896 -0.027 1
1 686 . 2 1 1 A 57 57 GLY N N 57 113.900 113.114 0.786 1
1 687 . 2 1 1 A 58 58 ASP H H 58 8.104 7.463 0.641 1
1 688 . 2 1 1 A 58 58 ASP HA H 58 4.808 4.759 0.049 1
1 691 . 2 1 1 A 58 58 ASP C C 58 174.100 175.709 -1.609 1
1 692 . 2 1 1 A 58 58 ASP CA C 58 55.700 53.707 1.993 1
1 693 . 2 1 1 A 58 58 ASP CB C 58 42.080 42.046 0.034 1
1 694 . 2 1 1 A 58 58 ASP N N 58 122.600 120.594 2.006 1
1 695 . 2 1 1 A 59 59 ALA H H 59 8.326 8.586 -0.260 1
1 696 . 2 1 1 A 59 59 ALA HA H 59 5.208 4.335 0.873 1
1 700 . 2 1 1 A 59 59 ALA C C 59 174.350 176.297 -1.947 1
1 701 . 2 1 1 A 59 59 ALA CA C 59 50.110 51.627 -1.517 1
1 702 . 2 1 1 A 59 59 ALA CB C 59 20.760 17.343 3.417 1
1 703 . 2 1 1 A 59 59 ALA N N 59 121.100 127.452 -6.352 1
1 704 . 2 1 1 A 60 60 VAL H H 60 9.061 8.405 0.656 1
1 705 . 2 1 1 A 60 60 VAL HA H 60 4.117 4.272 -0.155 1
1 713 . 2 1 1 A 60 60 VAL C C 60 174.300 174.246 0.054 1
1 714 . 2 1 1 A 60 60 VAL CA C 60 61.830 62.350 -0.520 1
1 715 . 2 1 1 A 60 60 VAL CB C 60 33.640 32.205 1.435 1
1 718 . 2 1 1 A 60 60 VAL N N 60 121.800 122.400 -0.600 1
1 719 . 2 1 1 A 61 61 GLU H H 61 9.027 8.663 0.364 1
1 720 . 2 1 1 A 61 61 GLU HA H 61 4.778 4.509 0.269 1
1 725 . 2 1 1 A 61 61 GLU C C 61 176.200 175.337 0.863 1
1 726 . 2 1 1 A 61 61 GLU CA C 61 54.152 55.682 -1.530 1
1 727 . 2 1 1 A 61 61 GLU CB C 61 32.477 27.942 4.535 1
1 729 . 2 1 1 A 61 61 GLU N N 61 123.900 129.553 -5.653 1
1 730 . 2 1 1 A 62 62 PHE H H 62 9.075 8.980 0.095 1
1 731 . 2 1 1 A 62 62 PHE HA H 62 5.317 4.594 0.723 1
1 739 . 2 1 1 A 62 62 PHE C C 62 174.490 174.199 0.291 1
1 740 . 2 1 1 A 62 62 PHE CA C 62 54.910 56.435 -1.525 1
1 741 . 2 1 1 A 62 62 PHE CB C 62 39.640 38.676 0.964 1
1 747 . 2 1 1 A 62 62 PHE N N 62 122.000 126.513 -4.513 1
1 748 . 2 1 1 A 63 63 LEU H H 63 8.996 8.128 0.868 1
1 749 . 2 1 1 A 63 63 LEU HA H 63 4.643 4.057 0.586 1
1 759 . 2 1 1 A 63 63 LEU C C 63 175.030 176.217 -1.187 1
1 760 . 2 1 1 A 63 63 LEU CA C 63 53.630 54.967 -1.337 1
1 761 . 2 1 1 A 63 63 LEU CB C 63 44.680 41.548 3.132 1
1 765 . 2 1 1 A 63 63 LEU N N 63 125.000 127.892 -2.892 1
1 766 . 2 1 1 A 64 64 TYR H H 64 8.669 8.661 0.008 1
1 767 . 2 1 1 A 64 64 TYR HA H 64 4.758 4.238 0.520 1
1 774 . 2 1 1 A 64 64 TYR C C 64 175.630 174.974 0.656 1
1 775 . 2 1 1 A 64 64 TYR CA C 64 57.460 57.401 0.059 1
1 776 . 2 1 1 A 64 64 TYR CB C 64 39.690 38.560 1.130 1
1 781 . 2 1 1 A 64 64 TYR N N 64 120.100 122.660 -2.560 1
1 782 . 2 1 1 A 65 65 PHE H H 65 8.688 7.864 0.824 1
1 783 . 2 1 1 A 65 65 PHE HA H 65 4.777 4.123 0.654 1
1 791 . 2 1 1 A 65 65 PHE C C 65 175.940 175.109 0.831 1
1 792 . 2 1 1 A 65 65 PHE CA C 65 57.325 59.009 -1.684 1
1 793 . 2 1 1 A 65 65 PHE CB C 65 39.340 36.267 3.073 1
1 799 . 2 1 1 A 65 65 PHE N N 65 122.100 115.716 6.384 1
1 800 . 2 1 1 A 66 66 MET H H 66 8.611 8.578 0.033 1
1 801 . 2 1 1 A 66 66 MET HA H 66 4.537 4.256 0.281 1
1 806 . 2 1 1 A 66 66 MET C C 66 176.630 176.359 0.271 1
1 807 . 2 1 1 A 66 66 MET CA C 66 55.370 57.277 -1.907 1
1 808 . 2 1 1 A 66 66 MET CB C 66 32.710 31.316 1.394 1
1 810 . 2 1 1 A 66 66 MET N N 66 121.700 111.173 10.527 1
1 811 . 2 1 1 A 67 67 GLY H H 67 8.213 8.270 -0.057 1
1 812 . 2 1 1 A 67 67 GLY HA2 H 67 3.928 3.997 -0.069 1
1 813 . 2 1 1 A 67 67 GLY HA3 H 67 3.928 4.032 -0.104 1
1 814 . 2 1 1 A 67 67 GLY C C 67 174.800 174.704 0.096 1
1 815 . 2 1 1 A 67 67 GLY CA C 67 45.359 45.496 -0.137 1
1 816 . 2 1 1 A 67 67 GLY N N 67 109.600 106.173 3.427 1
1 817 . 2 1 1 A 68 68 GLY H H 68 8.353 7.870 0.483 1
1 818 . 2 1 1 A 68 68 GLY HA2 H 68 4.862 3.962 0.900 1
1 819 . 2 1 1 A 68 68 GLY HA3 H 68 4.861 4.004 0.857 1
1 820 . 2 1 1 A 68 68 GLY C C 68 174.760 173.547 1.213 1
1 821 . 2 1 1 A 68 68 GLY CA C 68 45.402 45.450 -0.048 1
1 822 . 2 1 1 A 68 68 GLY N N 68 108.600 107.804 0.796 1
1 823 . 2 1 1 A 69 69 GLY H H 69 8.406 8.781 -0.375 1
1 824 . 2 1 1 A 69 69 GLY HA2 H 69 3.953 3.903 0.050 1
1 825 . 2 1 1 A 69 69 GLY HA3 H 69 3.953 3.905 0.048 1
1 826 . 2 1 1 A 69 69 GLY C C 69 174.070 174.249 -0.179 1
1 827 . 2 1 1 A 69 69 GLY CA C 69 45.242 46.974 -1.732 1
1 828 . 2 1 1 A 69 69 GLY N N 69 109.100 111.775 -2.675 1
1 829 . 2 1 1 A 70 70 LYS H H 70 8.153 7.994 0.159 1
1 830 . 2 1 1 A 70 70 LYS HA H 70 4.255 4.413 -0.158 1
1 839 . 2 1 1 A 70 70 LYS C C 70 176.490 175.761 0.729 1
1 840 . 2 1 1 A 70 70 LYS CA C 70 56.370 55.860 0.510 1
1 841 . 2 1 1 A 70 70 LYS CB C 70 33.130 32.727 0.403 1
1 845 . 2 1 1 A 70 70 LYS N N 70 120.500 120.760 -0.260 1
1 846 . 2 1 1 A 71 71 LEU H H 71 8.253 8.828 -0.575 1
1 847 . 2 1 1 A 71 71 LEU HA H 71 4.285 4.893 -0.608 1
1 857 . 2 1 1 A 71 71 LEU C C 71 177.110 176.190 0.920 1
1 858 . 2 1 1 A 71 71 LEU CA C 71 55.120 53.351 1.769 1
1 859 . 2 1 1 A 71 71 LEU CB C 71 42.236 45.472 -3.236 1
1 863 . 2 1 1 A 71 71 LEU N N 71 122.905 125.480 -2.575 1
1 864 . 2 1 1 A 72 72 GLU H H 72 8.343 8.682 -0.339 1
1 865 . 2 1 1 A 72 72 GLU HA H 72 4.238 4.162 0.076 1
1 870 . 2 1 1 A 72 72 GLU C C 72 176.100 177.256 -1.156 1
1 871 . 2 1 1 A 72 72 GLU CA C 72 56.760 56.596 0.164 1
1 872 . 2 1 1 A 72 72 GLU CB C 72 30.619 29.510 1.109 1
1 874 . 2 1 1 A 72 72 GLU N N 72 121.500 122.483 -0.983 1
1 875 . 2 1 1 A 73 73 HIS H H 73 8.404 9.032 -0.628 1
1 876 . 2 1 1 A 73 73 HIS HA H 73 4.593 4.086 0.507 1
1 879 . 2 1 1 A 73 73 HIS C C 73 173.840 175.052 -1.212 1
1 880 . 2 1 1 A 73 73 HIS CA C 73 55.777 59.360 -3.583 1
1 881 . 2 1 1 A 73 73 HIS CB C 73 30.080 30.720 -0.640 1
1 882 . 2 1 1 A 73 73 HIS N N 73 119.733 124.055 -4.322 1
1 883 . 2 1 1 A 74 74 HIS H H 74 8.213 7.869 0.344 1
1 884 . 2 1 1 A 74 74 HIS CA C 74 57.175 57.053 0.122 1
1 885 . 2 1 1 A 74 74 HIS CB C 74 30.671 26.595 4.076 1
1 9 . 3 1 1 A 2 2 ASN H H 2 9.645 8.751 0.894 1
1 10 . 3 1 1 A 2 2 ASN HA H 2 5.430 5.523 -0.093 1
1 15 . 3 1 1 A 2 2 ASN CA C 2 52.761 52.567 0.194 1
1 16 . 3 1 1 A 2 2 ASN CB C 2 40.140 39.875 0.265 1
1 17 . 3 1 1 A 2 2 ASN N N 2 125.300 117.350 7.950 1
1 19 . 3 1 1 A 3 3 LEU H H 3 8.769 9.419 -0.650 1
1 20 . 3 1 1 A 3 3 LEU HA H 3 4.949 5.036 -0.087 1
1 30 . 3 1 1 A 3 3 LEU C C 3 176.320 175.830 0.490 1
1 31 . 3 1 1 A 3 3 LEU CA C 3 54.223 53.428 0.795 1
1 32 . 3 1 1 A 3 3 LEU CB C 3 45.941 44.895 1.046 1
1 36 . 3 1 1 A 3 3 LEU N N 3 121.800 125.342 -3.542 1
1 37 . 3 1 1 A 4 4 THR H H 4 8.329 9.037 -0.708 1
1 38 . 3 1 1 A 4 4 THR HA H 4 4.744 4.698 0.046 1
1 43 . 3 1 1 A 4 4 THR C C 4 173.650 173.886 -0.236 1
1 44 . 3 1 1 A 4 4 THR CA C 4 62.150 61.644 0.506 1
1 45 . 3 1 1 A 4 4 THR CB C 4 69.430 67.112 2.318 1
1 47 . 3 1 1 A 4 4 THR N N 4 116.200 120.634 -4.434 1
1 48 . 3 1 1 A 5 5 VAL H H 5 8.955 8.340 0.615 1
1 49 . 3 1 1 A 5 5 VAL HA H 5 4.683 4.481 0.202 1
1 57 . 3 1 1 A 5 5 VAL C C 5 176.470 176.404 0.066 1
1 58 . 3 1 1 A 5 5 VAL CA C 5 60.724 63.075 -2.351 1
1 59 . 3 1 1 A 5 5 VAL CB C 5 33.590 31.049 2.541 1
1 62 . 3 1 1 A 5 5 VAL N N 5 126.000 125.943 0.057 1
1 63 . 3 1 1 A 6 6 ASN H H 6 9.534 9.558 -0.024 1
1 64 . 3 1 1 A 6 6 ASN HA H 6 4.636 4.466 0.170 1
1 69 . 3 1 1 A 6 6 ASN C C 6 175.900 175.442 0.458 1
1 70 . 3 1 1 A 6 6 ASN CA C 6 54.150 54.563 -0.413 1
1 71 . 3 1 1 A 6 6 ASN CB C 6 36.410 37.093 -0.683 1
1 72 . 3 1 1 A 6 6 ASN N N 6 129.400 127.508 1.892 1
1 74 . 3 1 1 A 7 7 GLY H H 7 8.915 8.101 0.814 1
1 75 . 3 1 1 A 7 7 GLY HA2 H 7 4.170 3.856 0.314 1
1 76 . 3 1 1 A 7 7 GLY HA3 H 7 3.485 3.858 -0.373 1
1 77 . 3 1 1 A 7 7 GLY C C 7 173.950 173.639 0.311 1
1 78 . 3 1 1 A 7 7 GLY CA C 7 45.337 45.361 -0.024 1
1 79 . 3 1 1 A 7 7 GLY N N 7 102.200 104.737 -2.537 1
1 80 . 3 1 1 A 8 8 LYS H H 8 7.900 7.959 -0.059 1
1 81 . 3 1 1 A 8 8 LYS HA H 8 4.987 4.725 0.262 1
1 90 . 3 1 1 A 8 8 LYS CA C 8 52.940 53.115 -0.175 1
1 91 . 3 1 1 A 8 8 LYS CB C 8 34.010 33.146 0.864 1
1 95 . 3 1 1 A 8 8 LYS N N 8 121.700 120.856 0.844 1
1 96 . 3 1 1 A 9 9 PRO HA H 9 4.700 4.830 -0.130 1
1 103 . 3 1 1 A 9 9 PRO C C 9 176.900 175.355 1.545 1
1 104 . 3 1 1 A 9 9 PRO CA C 9 63.990 62.514 1.476 1
1 105 . 3 1 1 A 9 9 PRO CB C 9 32.000 31.697 0.303 1
1 108 . 3 1 1 A 10 10 SER H H 10 8.970 8.865 0.105 1
1 109 . 3 1 1 A 10 10 SER HA H 10 4.822 5.246 -0.424 1
1 112 . 3 1 1 A 10 10 SER C C 10 172.800 172.830 -0.030 1
1 113 . 3 1 1 A 10 10 SER CA C 10 57.880 56.771 1.109 1
1 114 . 3 1 1 A 10 10 SER CB C 10 66.361 66.866 -0.505 1
1 115 . 3 1 1 A 10 10 SER N N 10 120.300 117.410 2.890 1
1 116 . 3 1 1 A 11 11 THR H H 11 8.590 8.929 -0.339 1
1 117 . 3 1 1 A 11 11 THR HA H 11 5.163 5.086 0.077 1
1 122 . 3 1 1 A 11 11 THR C C 11 173.720 173.473 0.247 1
1 123 . 3 1 1 A 11 11 THR CA C 11 61.380 61.695 -0.315 1
1 124 . 3 1 1 A 11 11 THR CB C 11 71.950 71.409 0.541 1
1 126 . 3 1 1 A 11 11 THR N N 11 120.191 118.534 1.657 1
1 127 . 3 1 1 A 12 12 VAL H H 12 8.563 9.031 -0.468 1
1 128 . 3 1 1 A 12 12 VAL HA H 12 4.172 4.618 -0.446 1
1 136 . 3 1 1 A 12 12 VAL C C 12 175.380 174.443 0.937 1
1 137 . 3 1 1 A 12 12 VAL CA C 12 61.350 61.043 0.307 1
1 138 . 3 1 1 A 12 12 VAL CB C 12 33.053 32.557 0.496 1
1 141 . 3 1 1 A 12 12 VAL N N 12 125.000 123.296 1.704 1
1 142 . 3 1 1 A 13 13 ASP H H 13 8.878 8.772 0.106 1
1 143 . 3 1 1 A 13 13 ASP HA H 13 4.501 4.427 0.074 1
1 146 . 3 1 1 A 13 13 ASP C C 13 177.180 177.125 0.055 1
1 147 . 3 1 1 A 13 13 ASP CA C 13 55.120 55.073 0.047 1
1 148 . 3 1 1 A 13 13 ASP CB C 13 41.450 40.995 0.455 1
1 149 . 3 1 1 A 13 13 ASP N N 13 128.300 127.916 0.384 1
1 150 . 3 1 1 A 14 14 GLY H H 14 8.697 8.659 0.038 1
1 151 . 3 1 1 A 14 14 GLY HA2 H 14 4.076 3.942 0.134 1
1 152 . 3 1 1 A 14 14 GLY HA3 H 14 3.719 3.942 -0.223 1
1 153 . 3 1 1 A 14 14 GLY C C 14 173.244 173.243 0.001 1
1 154 . 3 1 1 A 14 14 GLY CA C 14 45.887 45.620 0.267 1
1 155 . 3 1 1 A 14 14 GLY N N 14 109.900 113.547 -3.647 1
1 156 . 3 1 1 A 15 15 ALA H H 15 7.360 7.534 -0.174 1
1 157 . 3 1 1 A 15 15 ALA HA H 15 4.601 4.603 -0.002 1
1 161 . 3 1 1 A 15 15 ALA C C 15 176.240 176.077 0.163 1
1 162 . 3 1 1 A 15 15 ALA CA C 15 51.370 51.317 0.053 1
1 163 . 3 1 1 A 15 15 ALA CB C 15 20.970 22.781 -1.811 1
1 164 . 3 1 1 A 15 15 ALA N N 15 121.213 119.784 1.429 1
1 165 . 3 1 1 A 16 16 GLU H H 16 8.967 8.853 0.114 1
1 166 . 3 1 1 A 16 16 GLU HA H 16 4.406 4.570 -0.164 1
1 171 . 3 1 1 A 16 16 GLU C C 16 175.800 176.586 -0.786 1
1 172 . 3 1 1 A 16 16 GLU CA C 16 57.170 57.720 -0.550 1
1 173 . 3 1 1 A 16 16 GLU CB C 16 30.700 31.706 -1.006 1
1 175 . 3 1 1 A 16 16 GLU N N 16 120.800 121.133 -0.333 1
1 176 . 3 1 1 A 17 17 SER H H 17 7.587 7.867 -0.280 1
1 177 . 3 1 1 A 17 17 SER HA H 17 4.891 5.105 -0.214 1
1 180 . 3 1 1 A 17 17 SER C C 17 172.400 172.476 -0.076 1
1 181 . 3 1 1 A 17 17 SER CA C 17 57.797 57.864 -0.067 1
1 182 . 3 1 1 A 17 17 SER CB C 17 64.571 65.656 -1.085 1
1 183 . 3 1 1 A 17 17 SER N N 17 111.600 110.680 0.920 1
1 184 . 3 1 1 A 18 18 LEU H H 18 8.285 8.587 -0.302 1
1 185 . 3 1 1 A 18 18 LEU HA H 18 4.810 5.017 -0.207 1
1 195 . 3 1 1 A 18 18 LEU C C 18 175.800 176.385 -0.585 1
1 196 . 3 1 1 A 18 18 LEU CA C 18 54.230 53.626 0.604 1
1 197 . 3 1 1 A 18 18 LEU CB C 18 47.430 45.763 1.667 1
1 201 . 3 1 1 A 18 18 LEU N N 18 122.165 125.968 -3.803 1
1 202 . 3 1 1 A 19 19 ASN H H 19 8.920 8.812 0.108 1
1 203 . 3 1 1 A 19 19 ASN HA H 19 5.768 5.212 0.556 1
1 208 . 3 1 1 A 19 19 ASN C C 19 176.170 176.396 -0.226 1
1 209 . 3 1 1 A 19 19 ASN CA C 19 51.650 52.586 -0.936 1
1 210 . 3 1 1 A 19 19 ASN CB C 19 38.430 39.479 -1.049 1
1 211 . 3 1 1 A 19 19 ASN N N 19 118.700 120.032 -1.332 1
1 213 . 3 1 1 A 20 20 VAL H H 20 7.805 8.789 -0.984 1
1 214 . 3 1 1 A 20 20 VAL HA H 20 3.297 3.707 -0.410 1
1 222 . 3 1 1 A 20 20 VAL C C 20 176.770 177.511 -0.741 1
1 223 . 3 1 1 A 20 20 VAL CA C 20 67.360 66.210 1.150 1
1 224 . 3 1 1 A 20 20 VAL CB C 20 30.940 31.612 -0.672 1
1 227 . 3 1 1 A 20 20 VAL N N 20 117.900 120.929 -3.029 1
1 228 . 3 1 1 A 21 21 THR H H 21 7.230 8.272 -1.042 1
1 229 . 3 1 1 A 21 21 THR HA H 21 3.665 3.841 -0.176 1
1 234 . 3 1 1 A 21 21 THR C C 21 177.360 176.209 1.151 1
1 235 . 3 1 1 A 21 21 THR CA C 21 67.077 67.101 -0.024 1
1 236 . 3 1 1 A 21 21 THR CB C 21 68.460 68.780 -0.320 1
1 238 . 3 1 1 A 21 21 THR N N 21 117.400 116.879 0.521 1
1 239 . 3 1 1 A 22 22 GLU H H 22 8.750 8.687 0.063 1
1 240 . 3 1 1 A 22 22 GLU HA H 22 4.046 3.983 0.063 1
1 245 . 3 1 1 A 22 22 GLU C C 22 179.910 179.175 0.735 1
1 246 . 3 1 1 A 22 22 GLU CA C 22 58.550 59.301 -0.751 1
1 247 . 3 1 1 A 22 22 GLU CB C 22 30.550 29.327 1.223 1
1 249 . 3 1 1 A 22 22 GLU N N 22 121.238 119.557 1.681 1
1 250 . 3 1 1 A 23 23 LEU H H 23 8.766 7.989 0.777 1
1 251 . 3 1 1 A 23 23 LEU HA H 23 3.935 4.075 -0.140 1
1 261 . 3 1 1 A 23 23 LEU C C 23 177.800 178.147 -0.347 1
1 262 . 3 1 1 A 23 23 LEU CA C 23 58.240 58.279 -0.039 1
1 263 . 3 1 1 A 23 23 LEU CB C 23 41.844 41.221 0.623 1
1 267 . 3 1 1 A 23 23 LEU N N 23 123.900 122.398 1.502 1
1 268 . 3 1 1 A 24 24 LEU H H 24 8.305 8.601 -0.296 1
1 269 . 3 1 1 A 24 24 LEU HA H 24 3.690 3.966 -0.276 1
1 279 . 3 1 1 A 24 24 LEU C C 24 179.620 179.504 0.116 1
1 280 . 3 1 1 A 24 24 LEU CA C 24 58.010 57.928 0.082 1
1 281 . 3 1 1 A 24 24 LEU CB C 24 41.320 41.851 -0.531 1
1 285 . 3 1 1 A 24 24 LEU N N 24 117.100 118.967 -1.867 1
1 286 . 3 1 1 A 25 25 SER H H 25 7.226 8.059 -0.833 1
1 287 . 3 1 1 A 25 25 SER HA H 25 4.304 4.179 0.125 1
1 290 . 3 1 1 A 25 25 SER C C 25 178.100 177.159 0.941 1
1 291 . 3 1 1 A 25 25 SER CA C 25 60.900 61.254 -0.354 1
1 292 . 3 1 1 A 25 25 SER CB C 25 62.850 63.069 -0.219 1
1 293 . 3 1 1 A 25 25 SER N N 25 111.500 114.355 -2.855 1
1 294 . 3 1 1 A 26 26 ALA H H 26 8.712 8.289 0.423 1
1 295 . 3 1 1 A 26 26 ALA HA H 26 4.138 4.122 0.016 1
1 299 . 3 1 1 A 26 26 ALA C C 26 180.000 179.639 0.361 1
1 300 . 3 1 1 A 26 26 ALA CA C 26 55.180 54.840 0.340 1
1 301 . 3 1 1 A 26 26 ALA CB C 26 18.200 18.436 -0.236 1
1 302 . 3 1 1 A 26 26 ALA N N 26 126.100 123.259 2.841 1
1 303 . 3 1 1 A 27 27 LEU H H 27 8.050 8.011 0.039 1
1 304 . 3 1 1 A 27 27 LEU HA H 27 4.314 4.239 0.075 1
1 314 . 3 1 1 A 27 27 LEU C C 27 175.810 176.370 -0.560 1
1 315 . 3 1 1 A 27 27 LEU CA C 27 54.307 56.395 -2.088 1
1 316 . 3 1 1 A 27 27 LEU CB C 27 42.021 42.805 -0.784 1
1 320 . 3 1 1 A 27 27 LEU N N 27 114.250 118.886 -4.636 1
1 321 . 3 1 1 A 28 28 LYS H H 28 7.766 7.838 -0.072 1
1 322 . 3 1 1 A 28 28 LYS HA H 28 3.869 3.920 -0.051 1
1 331 . 3 1 1 A 28 28 LYS C C 28 176.030 175.391 0.639 1
1 332 . 3 1 1 A 28 28 LYS CA C 28 56.630 57.037 -0.407 1
1 333 . 3 1 1 A 28 28 LYS CB C 28 28.893 30.207 -1.314 1
1 337 . 3 1 1 A 28 28 LYS N N 28 117.700 117.894 -0.194 1
1 338 . 3 1 1 A 29 29 VAL H H 29 7.583 7.802 -0.219 1
1 339 . 3 1 1 A 29 29 VAL HA H 29 3.520 4.299 -0.779 1
1 347 . 3 1 1 A 29 29 VAL C C 29 176.410 176.225 0.185 1
1 348 . 3 1 1 A 29 29 VAL CA C 29 63.741 62.184 1.557 1
1 349 . 3 1 1 A 29 29 VAL CB C 29 31.840 32.772 -0.932 1
1 352 . 3 1 1 A 29 29 VAL N N 29 119.200 119.574 -0.374 1
1 353 . 3 1 1 A 30 30 ALA H H 30 8.543 8.915 -0.372 1
1 354 . 3 1 1 A 30 30 ALA HA H 30 4.215 4.304 -0.089 1
1 358 . 3 1 1 A 30 30 ALA C C 30 177.710 177.446 0.264 1
1 359 . 3 1 1 A 30 30 ALA CA C 30 52.330 55.209 -2.879 1
1 360 . 3 1 1 A 30 30 ALA CB C 30 19.170 19.019 0.151 1
1 361 . 3 1 1 A 30 30 ALA N N 30 131.100 126.168 4.932 1
1 362 . 3 1 1 A 31 31 GLN H H 31 8.982 8.089 0.893 1
1 363 . 3 1 1 A 31 31 GLN HA H 31 4.162 4.677 -0.515 1
1 370 . 3 1 1 A 31 31 GLN C C 31 176.670 175.861 0.809 1
1 371 . 3 1 1 A 31 31 GLN CA C 31 56.100 54.482 1.618 1
1 372 . 3 1 1 A 31 31 GLN CB C 31 27.390 28.129 -0.739 1
1 374 . 3 1 1 A 31 31 GLN N N 31 117.300 117.288 0.012 1
1 376 . 3 1 1 A 32 32 ALA H H 32 8.029 8.868 -0.839 1
1 377 . 3 1 1 A 32 32 ALA HA H 32 3.738 4.101 -0.363 1
1 381 . 3 1 1 A 32 32 ALA C C 32 178.700 179.225 -0.525 1
1 382 . 3 1 1 A 32 32 ALA CA C 32 55.010 54.016 0.994 1
1 383 . 3 1 1 A 32 32 ALA CB C 32 18.647 18.526 0.121 1
1 384 . 3 1 1 A 32 32 ALA N N 32 119.900 127.662 -7.762 1
1 385 . 3 1 1 A 33 33 GLU H H 33 9.338 7.902 1.436 1
1 386 . 3 1 1 A 33 33 GLU HA H 33 4.037 3.756 0.281 1
1 391 . 3 1 1 A 33 33 GLU C C 33 176.370 177.180 -0.810 1
1 392 . 3 1 1 A 33 33 GLU CA C 33 58.280 58.399 -0.119 1
1 393 . 3 1 1 A 33 33 GLU CB C 33 28.670 29.540 -0.870 1
1 395 . 3 1 1 A 33 33 GLU N N 33 116.800 119.041 -2.241 1
1 396 . 3 1 1 A 34 34 TYR H H 34 8.063 7.974 0.089 1
1 397 . 3 1 1 A 34 34 TYR HA H 34 4.820 4.680 0.140 1
1 404 . 3 1 1 A 34 34 TYR C C 34 175.460 174.942 0.518 1
1 405 . 3 1 1 A 34 34 TYR CA C 34 56.800 57.085 -0.285 1
1 406 . 3 1 1 A 34 34 TYR CB C 34 39.810 38.532 1.278 1
1 411 . 3 1 1 A 34 34 TYR N N 34 116.100 116.156 -0.056 1
1 412 . 3 1 1 A 35 35 VAL H H 35 7.330 7.150 0.180 1
1 413 . 3 1 1 A 35 35 VAL HA H 35 4.689 2.873 1.816 1
1 421 . 3 1 1 A 35 35 VAL C C 35 173.700 173.851 -0.151 1
1 422 . 3 1 1 A 35 35 VAL CA C 35 61.550 61.428 0.122 1
1 423 . 3 1 1 A 35 35 VAL CB C 35 33.650 31.160 2.490 1
1 426 . 3 1 1 A 35 35 VAL N N 35 121.200 121.077 0.123 1
1 427 . 3 1 1 A 36 36 THR H H 36 8.879 8.123 0.756 1
1 428 . 3 1 1 A 36 36 THR HA H 36 4.696 4.586 0.110 1
1 433 . 3 1 1 A 36 36 THR C C 36 172.930 173.938 -1.008 1
1 434 . 3 1 1 A 36 36 THR CA C 36 62.300 62.505 -0.205 1
1 435 . 3 1 1 A 36 36 THR CB C 36 70.500 68.126 2.374 1
1 437 . 3 1 1 A 36 36 THR N N 36 126.800 124.288 2.512 1
1 438 . 3 1 1 A 37 37 VAL H H 37 9.616 8.547 1.069 1
1 439 . 3 1 1 A 37 37 VAL HA H 37 5.072 5.170 -0.098 1
1 447 . 3 1 1 A 37 37 VAL C C 37 174.820 174.554 0.266 1
1 448 . 3 1 1 A 37 37 VAL CA C 37 59.440 58.758 0.682 1
1 449 . 3 1 1 A 37 37 VAL CB C 37 35.270 35.129 0.141 1
1 452 . 3 1 1 A 37 37 VAL N N 37 127.600 120.866 6.734 1
1 453 . 3 1 1 A 38 38 GLU H H 38 8.934 8.544 0.390 1
1 454 . 3 1 1 A 38 38 GLU HA H 38 5.059 4.954 0.105 1
1 459 . 3 1 1 A 38 38 GLU C C 38 174.850 174.772 0.078 1
1 460 . 3 1 1 A 38 38 GLU CA C 38 53.989 54.624 -0.635 1
1 461 . 3 1 1 A 38 38 GLU CB C 38 32.599 33.335 -0.736 1
1 463 . 3 1 1 A 38 38 GLU N N 38 126.700 121.413 5.287 1
1 464 . 3 1 1 A 39 39 LEU H H 39 9.004 8.812 0.192 1
1 465 . 3 1 1 A 39 39 LEU HA H 39 5.082 4.488 0.594 1
1 474 . 3 1 1 A 39 39 LEU C C 39 175.890 176.785 -0.895 1
1 475 . 3 1 1 A 39 39 LEU CA C 39 53.030 54.524 -1.494 1
1 476 . 3 1 1 A 39 39 LEU CB C 39 45.640 42.329 3.311 1
1 479 . 3 1 1 A 39 39 LEU N N 39 128.700 125.930 2.770 1
1 480 . 3 1 1 A 40 40 ASN H H 40 10.210 9.481 0.729 1
1 481 . 3 1 1 A 40 40 ASN HA H 40 4.495 4.676 -0.181 1
1 486 . 3 1 1 A 40 40 ASN C C 40 175.620 175.497 0.123 1
1 487 . 3 1 1 A 40 40 ASN CA C 40 54.540 54.486 0.054 1
1 488 . 3 1 1 A 40 40 ASN CB C 40 37.280 37.080 0.200 1
1 489 . 3 1 1 A 40 40 ASN N N 40 128.749 125.549 3.200 1
1 491 . 3 1 1 A 41 41 GLY H H 41 8.913 8.614 0.299 1
1 492 . 3 1 1 A 41 41 GLY HA2 H 41 4.162 3.915 0.247 1
1 493 . 3 1 1 A 41 41 GLY HA3 H 41 3.625 3.918 -0.293 1
1 494 . 3 1 1 A 41 41 GLY C C 41 173.380 173.701 -0.321 1
1 495 . 3 1 1 A 41 41 GLY CA C 41 45.220 46.098 -0.878 1
1 496 . 3 1 1 A 41 41 GLY N N 41 102.811 104.689 -1.878 1
1 497 . 3 1 1 A 42 42 GLU H H 42 7.716 7.744 -0.028 1
1 498 . 3 1 1 A 42 42 GLU HA H 42 4.655 4.778 -0.123 1
1 503 . 3 1 1 A 42 42 GLU C C 42 175.300 175.034 0.266 1
1 504 . 3 1 1 A 42 42 GLU CA C 42 54.190 55.739 -1.549 1
1 505 . 3 1 1 A 42 42 GLU CB C 42 31.770 32.356 -0.586 1
1 507 . 3 1 1 A 42 42 GLU N N 42 120.731 118.882 1.849 1
1 508 . 3 1 1 A 43 43 VAL H H 43 8.872 8.692 0.180 1
1 509 . 3 1 1 A 43 43 VAL HA H 43 4.025 4.100 -0.075 1
1 517 . 3 1 1 A 43 43 VAL C C 43 176.260 176.190 0.070 1
1 518 . 3 1 1 A 43 43 VAL CA C 43 64.110 62.713 1.397 1
1 519 . 3 1 1 A 43 43 VAL CB C 43 31.500 32.977 -1.477 1
1 522 . 3 1 1 A 43 43 VAL N N 43 126.800 127.726 -0.926 1
1 523 . 3 1 1 A 44 44 LEU H H 44 8.810 8.019 0.791 1
1 524 . 3 1 1 A 44 44 LEU HA H 44 4.656 4.500 0.156 1
1 534 . 3 1 1 A 44 44 LEU C C 44 177.620 176.308 1.312 1
1 535 . 3 1 1 A 44 44 LEU CA C 44 53.750 53.475 0.275 1
1 536 . 3 1 1 A 44 44 LEU CB C 44 44.080 42.469 1.611 1
1 540 . 3 1 1 A 44 44 LEU N N 44 129.200 127.845 1.355 1
1 541 . 3 1 1 A 45 45 GLU H H 45 8.742 8.382 0.360 1
1 542 . 3 1 1 A 45 45 GLU HA H 45 4.465 4.431 0.034 1
1 547 . 3 1 1 A 45 45 GLU C C 45 177.440 177.712 -0.272 1
1 548 . 3 1 1 A 45 45 GLU CA C 45 55.270 56.156 -0.886 1
1 549 . 3 1 1 A 45 45 GLU CB C 45 29.830 31.445 -1.615 1
1 551 . 3 1 1 A 45 45 GLU N N 45 122.500 122.807 -0.307 1
1 552 . 3 1 1 A 46 46 ARG H H 46 8.674 8.923 -0.249 1
1 553 . 3 1 1 A 46 46 ARG HA H 46 2.384 4.217 -1.833 1
1 560 . 3 1 1 A 46 46 ARG C C 46 179.080 177.109 1.971 1
1 561 . 3 1 1 A 46 46 ARG CA C 46 58.150 59.170 -1.020 1
1 562 . 3 1 1 A 46 46 ARG CB C 46 29.050 29.891 -0.841 1
1 565 . 3 1 1 A 46 46 ARG N N 46 124.600 124.831 -0.231 1
1 566 . 3 1 1 A 47 47 GLU H H 47 9.010 8.294 0.716 1
1 567 . 3 1 1 A 47 47 GLU HA H 47 4.008 4.455 -0.447 1
1 572 . 3 1 1 A 47 47 GLU C C 47 176.700 178.226 -1.526 1
1 573 . 3 1 1 A 47 47 GLU CA C 47 58.720 56.438 2.282 1
1 574 . 3 1 1 A 47 47 GLU CB C 47 28.590 29.696 -1.106 1
1 576 . 3 1 1 A 47 47 GLU N N 47 117.300 117.158 0.142 1
1 577 . 3 1 1 A 48 48 ALA H H 48 8.011 8.086 -0.075 1
1 578 . 3 1 1 A 48 48 ALA HA H 48 4.749 4.136 0.613 1
1 582 . 3 1 1 A 48 48 ALA C C 48 180.070 179.262 0.808 1
1 583 . 3 1 1 A 48 48 ALA CA C 48 51.780 54.723 -2.943 1
1 584 . 3 1 1 A 48 48 ALA CB C 48 19.390 18.361 1.029 1
1 585 . 3 1 1 A 48 48 ALA N N 48 120.200 124.698 -4.498 1
1 586 . 3 1 1 A 49 49 PHE H H 49 8.002 7.910 0.092 1
1 587 . 3 1 1 A 49 49 PHE HA H 49 4.305 4.318 -0.013 1
1 594 . 3 1 1 A 49 49 PHE C C 49 177.710 178.003 -0.293 1
1 595 . 3 1 1 A 49 49 PHE CA C 49 59.969 61.669 -1.700 1
1 596 . 3 1 1 A 49 49 PHE CB C 49 36.820 38.624 -1.804 1
1 601 . 3 1 1 A 49 49 PHE N N 49 123.801 116.051 7.750 1
1 602 . 3 1 1 A 50 50 ASP H H 50 8.558 8.121 0.437 1
1 603 . 3 1 1 A 50 50 ASP HA H 50 4.561 4.404 0.157 1
1 606 . 3 1 1 A 50 50 ASP C C 50 176.610 177.939 -1.329 1
1 607 . 3 1 1 A 50 50 ASP CA C 50 56.100 57.189 -1.089 1
1 608 . 3 1 1 A 50 50 ASP CB C 50 40.350 40.795 -0.445 1
1 609 . 3 1 1 A 50 50 ASP N N 50 115.500 119.535 -4.035 1
1 610 . 3 1 1 A 51 51 ALA H H 51 7.539 7.102 0.437 1
1 611 . 3 1 1 A 51 51 ALA HA H 51 4.498 4.259 0.239 1
1 615 . 3 1 1 A 51 51 ALA C C 51 177.370 177.384 -0.014 1
1 616 . 3 1 1 A 51 51 ALA CA C 51 51.850 53.122 -1.272 1
1 617 . 3 1 1 A 51 51 ALA CB C 51 20.280 19.711 0.569 1
1 618 . 3 1 1 A 51 51 ALA N N 51 119.500 119.748 -0.248 1
1 619 . 3 1 1 A 52 52 THR H H 52 7.503 7.701 -0.198 1
1 620 . 3 1 1 A 52 52 THR HA H 52 4.376 4.464 -0.088 1
1 625 . 3 1 1 A 52 52 THR C C 52 172.780 174.009 -1.229 1
1 626 . 3 1 1 A 52 52 THR CA C 52 63.450 62.174 1.276 1
1 627 . 3 1 1 A 52 52 THR CB C 52 69.910 69.746 0.164 1
1 629 . 3 1 1 A 52 52 THR N N 52 117.700 113.544 4.156 1
1 630 . 3 1 1 A 53 53 THR H H 53 8.354 8.947 -0.593 1
1 631 . 3 1 1 A 53 53 THR HA H 53 4.521 4.889 -0.368 1
1 636 . 3 1 1 A 53 53 THR C C 53 173.000 174.209 -1.209 1
1 637 . 3 1 1 A 53 53 THR CA C 53 62.110 62.320 -0.210 1
1 638 . 3 1 1 A 53 53 THR CB C 53 70.380 69.180 1.200 1
1 640 . 3 1 1 A 53 53 THR N N 53 120.700 123.452 -2.752 1
1 641 . 3 1 1 A 54 54 VAL H H 54 9.223 8.896 0.327 1
1 642 . 3 1 1 A 54 54 VAL HA H 54 4.256 4.194 0.062 1
1 650 . 3 1 1 A 54 54 VAL C C 54 173.500 175.646 -2.146 1
1 651 . 3 1 1 A 54 54 VAL CA C 54 61.330 62.915 -1.585 1
1 652 . 3 1 1 A 54 54 VAL CB C 54 33.090 31.361 1.729 1
1 655 . 3 1 1 A 54 54 VAL N N 54 126.200 127.321 -1.121 1
1 656 . 3 1 1 A 55 55 LYS H H 55 9.074 8.471 0.603 1
1 657 . 3 1 1 A 55 55 LYS HA H 55 4.847 4.724 0.123 1
1 666 . 3 1 1 A 55 55 LYS C C 55 174.610 174.841 -0.231 1
1 667 . 3 1 1 A 55 55 LYS CA C 55 54.265 54.412 -0.147 1
1 668 . 3 1 1 A 55 55 LYS CB C 55 36.111 34.925 1.186 1
1 672 . 3 1 1 A 55 55 LYS N N 55 124.700 127.297 -2.597 1
1 673 . 3 1 1 A 56 56 ASP H H 56 8.111 8.628 -0.517 1
1 674 . 3 1 1 A 56 56 ASP HA H 56 4.553 4.370 0.183 1
1 677 . 3 1 1 A 56 56 ASP C C 56 177.720 177.283 0.437 1
1 678 . 3 1 1 A 56 56 ASP CA C 56 56.040 55.559 0.481 1
1 679 . 3 1 1 A 56 56 ASP CB C 56 43.070 40.774 2.296 1
1 680 . 3 1 1 A 56 56 ASP N N 56 116.700 121.465 -4.765 1
1 681 . 3 1 1 A 57 57 GLY H H 57 9.330 8.898 0.432 1
1 682 . 3 1 1 A 57 57 GLY HA2 H 57 4.343 3.900 0.443 1
1 683 . 3 1 1 A 57 57 GLY HA3 H 57 3.652 3.901 -0.249 1
1 684 . 3 1 1 A 57 57 GLY C C 57 175.140 173.663 1.477 1
1 685 . 3 1 1 A 57 57 GLY CA C 57 44.869 46.573 -1.704 1
1 686 . 3 1 1 A 57 57 GLY N N 57 113.900 113.442 0.458 1
1 687 . 3 1 1 A 58 58 ASP H H 58 8.104 7.793 0.311 1
1 688 . 3 1 1 A 58 58 ASP HA H 58 4.808 5.004 -0.196 1
1 691 . 3 1 1 A 58 58 ASP C C 58 174.100 174.888 -0.788 1
1 692 . 3 1 1 A 58 58 ASP CA C 58 55.700 52.784 2.916 1
1 693 . 3 1 1 A 58 58 ASP CB C 58 42.080 43.685 -1.605 1
1 694 . 3 1 1 A 58 58 ASP N N 58 122.600 120.092 2.508 1
1 695 . 3 1 1 A 59 59 ALA H H 59 8.326 8.701 -0.375 1
1 696 . 3 1 1 A 59 59 ALA HA H 59 5.208 4.775 0.433 1
1 700 . 3 1 1 A 59 59 ALA C C 59 174.350 176.683 -2.333 1
1 701 . 3 1 1 A 59 59 ALA CA C 59 50.110 51.243 -1.133 1
1 702 . 3 1 1 A 59 59 ALA CB C 59 20.760 17.875 2.885 1
1 703 . 3 1 1 A 59 59 ALA N N 59 121.100 127.408 -6.308 1
1 704 . 3 1 1 A 60 60 VAL H H 60 9.061 7.631 1.430 1
1 705 . 3 1 1 A 60 60 VAL HA H 60 4.117 4.473 -0.356 1
1 713 . 3 1 1 A 60 60 VAL C C 60 174.300 175.433 -1.133 1
1 714 . 3 1 1 A 60 60 VAL CA C 60 61.830 61.690 0.140 1
1 715 . 3 1 1 A 60 60 VAL CB C 60 33.640 32.661 0.979 1
1 718 . 3 1 1 A 60 60 VAL N N 60 121.800 118.128 3.672 1
1 719 . 3 1 1 A 61 61 GLU H H 61 9.027 8.612 0.415 1
1 720 . 3 1 1 A 61 61 GLU HA H 61 4.778 4.739 0.039 1
1 725 . 3 1 1 A 61 61 GLU C C 61 176.200 174.837 1.363 1
1 726 . 3 1 1 A 61 61 GLU CA C 61 54.152 55.935 -1.783 1
1 727 . 3 1 1 A 61 61 GLU CB C 61 32.477 30.074 2.403 1
1 729 . 3 1 1 A 61 61 GLU N N 61 123.900 126.643 -2.743 1
1 730 . 3 1 1 A 62 62 PHE H H 62 9.075 9.144 -0.069 1
1 731 . 3 1 1 A 62 62 PHE HA H 62 5.317 5.212 0.105 1
1 739 . 3 1 1 A 62 62 PHE C C 62 174.490 174.313 0.177 1
1 740 . 3 1 1 A 62 62 PHE CA C 62 54.910 56.062 -1.152 1
1 741 . 3 1 1 A 62 62 PHE CB C 62 39.640 40.697 -1.057 1
1 747 . 3 1 1 A 62 62 PHE N N 62 122.000 126.814 -4.814 1
1 748 . 3 1 1 A 63 63 LEU H H 63 8.996 8.610 0.386 1
1 749 . 3 1 1 A 63 63 LEU HA H 63 4.643 4.817 -0.174 1
1 759 . 3 1 1 A 63 63 LEU C C 63 175.030 175.599 -0.569 1
1 760 . 3 1 1 A 63 63 LEU CA C 63 53.630 52.833 0.797 1
1 761 . 3 1 1 A 63 63 LEU CB C 63 44.680 44.901 -0.221 1
1 765 . 3 1 1 A 63 63 LEU N N 63 125.000 122.243 2.757 1
1 766 . 3 1 1 A 64 64 TYR H H 64 8.669 8.148 0.521 1
1 767 . 3 1 1 A 64 64 TYR HA H 64 4.758 3.953 0.805 1
1 774 . 3 1 1 A 64 64 TYR C C 64 175.630 174.155 1.475 1
1 775 . 3 1 1 A 64 64 TYR CA C 64 57.460 59.474 -2.014 1
1 776 . 3 1 1 A 64 64 TYR CB C 64 39.690 35.725 3.965 1
1 781 . 3 1 1 A 64 64 TYR N N 64 120.100 116.958 3.142 1
1 782 . 3 1 1 A 65 65 PHE H H 65 8.688 8.009 0.679 1
1 783 . 3 1 1 A 65 65 PHE HA H 65 4.777 5.460 -0.683 1
1 791 . 3 1 1 A 65 65 PHE C C 65 175.940 174.691 1.249 1
1 792 . 3 1 1 A 65 65 PHE CA C 65 57.325 56.587 0.738 1
1 793 . 3 1 1 A 65 65 PHE CB C 65 39.340 43.313 -3.973 1
1 799 . 3 1 1 A 65 65 PHE N N 65 122.100 119.592 2.508 1
1 800 . 3 1 1 A 66 66 MET H H 66 8.611 8.932 -0.321 1
1 801 . 3 1 1 A 66 66 MET HA H 66 4.537 4.990 -0.453 1
1 806 . 3 1 1 A 66 66 MET C C 66 176.630 174.999 1.631 1
1 807 . 3 1 1 A 66 66 MET CA C 66 55.370 54.170 1.200 1
1 808 . 3 1 1 A 66 66 MET CB C 66 32.710 35.015 -2.305 1
1 810 . 3 1 1 A 66 66 MET N N 66 121.700 119.961 1.739 1
1 811 . 3 1 1 A 67 67 GLY H H 67 8.213 8.385 -0.172 1
1 812 . 3 1 1 A 67 67 GLY HA2 H 67 3.928 4.155 -0.227 1
1 813 . 3 1 1 A 67 67 GLY HA3 H 67 3.928 4.159 -0.231 1
1 814 . 3 1 1 A 67 67 GLY C C 67 174.800 175.783 -0.983 1
1 815 . 3 1 1 A 67 67 GLY CA C 67 45.359 46.091 -0.732 1
1 816 . 3 1 1 A 67 67 GLY N N 67 109.600 106.825 2.775 1
1 817 . 3 1 1 A 68 68 GLY H H 68 8.353 8.151 0.202 1
1 818 . 3 1 1 A 68 68 GLY HA2 H 68 4.862 3.978 0.884 1
1 819 . 3 1 1 A 68 68 GLY HA3 H 68 4.861 3.985 0.876 1
1 820 . 3 1 1 A 68 68 GLY C C 68 174.760 175.347 -0.587 1
1 821 . 3 1 1 A 68 68 GLY CA C 68 45.402 45.283 0.119 1
1 822 . 3 1 1 A 68 68 GLY N N 68 108.600 108.244 0.356 1
1 823 . 3 1 1 A 69 69 GLY H H 69 8.406 8.454 -0.048 1
1 824 . 3 1 1 A 69 69 GLY HA2 H 69 3.953 3.927 0.026 1
1 825 . 3 1 1 A 69 69 GLY HA3 H 69 3.953 3.927 0.026 1
1 826 . 3 1 1 A 69 69 GLY C C 69 174.070 174.087 -0.017 1
1 827 . 3 1 1 A 69 69 GLY CA C 69 45.242 46.824 -1.582 1
1 828 . 3 1 1 A 69 69 GLY N N 69 109.100 109.135 -0.035 1
1 829 . 3 1 1 A 70 70 LYS H H 70 8.153 7.834 0.319 1
1 830 . 3 1 1 A 70 70 LYS HA H 70 4.255 4.855 -0.600 1
1 839 . 3 1 1 A 70 70 LYS C C 70 176.490 176.035 0.455 1
1 840 . 3 1 1 A 70 70 LYS CA C 70 56.370 54.388 1.982 1
1 841 . 3 1 1 A 70 70 LYS CB C 70 33.130 35.274 -2.144 1
1 845 . 3 1 1 A 70 70 LYS N N 70 120.500 119.101 1.399 1
1 846 . 3 1 1 A 71 71 LEU H H 71 8.253 8.792 -0.539 1
1 847 . 3 1 1 A 71 71 LEU HA H 71 4.285 4.871 -0.586 1
1 857 . 3 1 1 A 71 71 LEU C C 71 177.110 175.563 1.547 1
1 858 . 3 1 1 A 71 71 LEU CA C 71 55.120 53.586 1.534 1
1 859 . 3 1 1 A 71 71 LEU CB C 71 42.236 43.644 -1.408 1
1 863 . 3 1 1 A 71 71 LEU N N 71 122.905 119.046 3.859 1
1 864 . 3 1 1 A 72 72 GLU H H 72 8.343 8.420 -0.077 1
1 865 . 3 1 1 A 72 72 GLU HA H 72 4.238 4.235 0.003 1
1 870 . 3 1 1 A 72 72 GLU C C 72 176.100 176.518 -0.418 1
1 871 . 3 1 1 A 72 72 GLU CA C 72 56.760 56.833 -0.073 1
1 872 . 3 1 1 A 72 72 GLU CB C 72 30.619 29.534 1.085 1
1 874 . 3 1 1 A 72 72 GLU N N 72 121.500 119.497 2.003 1
1 875 . 3 1 1 A 73 73 HIS H H 73 8.404 8.456 -0.052 1
1 876 . 3 1 1 A 73 73 HIS HA H 73 4.593 4.524 0.069 1
1 879 . 3 1 1 A 73 73 HIS C C 73 173.840 174.873 -1.033 1
1 880 . 3 1 1 A 73 73 HIS CA C 73 55.777 55.819 -0.042 1
1 881 . 3 1 1 A 73 73 HIS CB C 73 30.080 30.323 -0.243 1
1 882 . 3 1 1 A 73 73 HIS N N 73 119.733 121.201 -1.468 1
1 883 . 3 1 1 A 74 74 HIS H H 74 8.213 8.625 -0.412 1
1 884 . 3 1 1 A 74 74 HIS CA C 74 57.175 56.200 0.975 1
1 885 . 3 1 1 A 74 74 HIS CB C 74 30.671 28.611 2.060 1
1 9 . 4 1 1 A 2 2 ASN H H 2 9.645 8.716 0.929 1
1 10 . 4 1 1 A 2 2 ASN HA H 2 5.430 5.139 0.291 1
1 15 . 4 1 1 A 2 2 ASN CA C 2 52.761 53.165 -0.404 1
1 16 . 4 1 1 A 2 2 ASN CB C 2 40.140 39.358 0.782 1
1 17 . 4 1 1 A 2 2 ASN N N 2 125.300 118.615 6.685 1
1 19 . 4 1 1 A 3 3 LEU H H 3 8.769 8.564 0.205 1
1 20 . 4 1 1 A 3 3 LEU HA H 3 4.949 5.165 -0.216 1
1 30 . 4 1 1 A 3 3 LEU C C 3 176.320 176.297 0.023 1
1 31 . 4 1 1 A 3 3 LEU CA C 3 54.223 53.062 1.161 1
1 32 . 4 1 1 A 3 3 LEU CB C 3 45.941 46.299 -0.358 1
1 36 . 4 1 1 A 3 3 LEU N N 3 121.800 125.132 -3.332 1
1 37 . 4 1 1 A 4 4 THR H H 4 8.329 8.517 -0.188 1
1 38 . 4 1 1 A 4 4 THR HA H 4 4.744 4.929 -0.185 1
1 43 . 4 1 1 A 4 4 THR C C 4 173.650 172.829 0.821 1
1 44 . 4 1 1 A 4 4 THR CA C 4 62.150 61.601 0.549 1
1 45 . 4 1 1 A 4 4 THR CB C 4 69.430 72.188 -2.758 1
1 47 . 4 1 1 A 4 4 THR N N 4 116.200 115.787 0.413 1
1 48 . 4 1 1 A 5 5 VAL H H 5 8.955 8.936 0.019 1
1 49 . 4 1 1 A 5 5 VAL HA H 5 4.683 5.141 -0.458 1
1 57 . 4 1 1 A 5 5 VAL C C 5 176.470 175.205 1.265 1
1 58 . 4 1 1 A 5 5 VAL CA C 5 60.724 59.297 1.427 1
1 59 . 4 1 1 A 5 5 VAL CB C 5 33.590 34.473 -0.883 1
1 62 . 4 1 1 A 5 5 VAL N N 5 126.000 124.656 1.344 1
1 63 . 4 1 1 A 6 6 ASN H H 6 9.534 9.588 -0.054 1
1 64 . 4 1 1 A 6 6 ASN HA H 6 4.636 4.513 0.123 1
1 69 . 4 1 1 A 6 6 ASN C C 6 175.900 175.446 0.454 1
1 70 . 4 1 1 A 6 6 ASN CA C 6 54.150 54.505 -0.355 1
1 71 . 4 1 1 A 6 6 ASN CB C 6 36.410 36.965 -0.555 1
1 72 . 4 1 1 A 6 6 ASN N N 6 129.400 128.667 0.733 1
1 74 . 4 1 1 A 7 7 GLY H H 7 8.915 8.531 0.384 1
1 75 . 4 1 1 A 7 7 GLY HA2 H 7 4.170 3.816 0.354 1
1 76 . 4 1 1 A 7 7 GLY HA3 H 7 3.485 3.855 -0.370 1
1 77 . 4 1 1 A 7 7 GLY C C 7 173.950 173.667 0.283 1
1 78 . 4 1 1 A 7 7 GLY CA C 7 45.337 45.360 -0.023 1
1 79 . 4 1 1 A 7 7 GLY N N 7 102.200 105.255 -3.055 1
1 80 . 4 1 1 A 8 8 LYS H H 8 7.900 8.070 -0.170 1
1 81 . 4 1 1 A 8 8 LYS HA H 8 4.987 4.487 0.500 1
1 90 . 4 1 1 A 8 8 LYS CA C 8 52.940 52.718 0.222 1
1 91 . 4 1 1 A 8 8 LYS CB C 8 34.010 33.067 0.943 1
1 95 . 4 1 1 A 8 8 LYS N N 8 121.700 121.114 0.586 1
1 96 . 4 1 1 A 9 9 PRO HA H 9 4.700 4.283 0.417 1
1 103 . 4 1 1 A 9 9 PRO C C 9 176.900 175.881 1.019 1
1 104 . 4 1 1 A 9 9 PRO CA C 9 63.990 63.253 0.737 1
1 105 . 4 1 1 A 9 9 PRO CB C 9 32.000 31.883 0.117 1
1 108 . 4 1 1 A 10 10 SER H H 10 8.970 8.817 0.153 1
1 109 . 4 1 1 A 10 10 SER HA H 10 4.822 4.990 -0.168 1
1 112 . 4 1 1 A 10 10 SER C C 10 172.800 173.039 -0.239 1
1 113 . 4 1 1 A 10 10 SER CA C 10 57.880 57.983 -0.103 1
1 114 . 4 1 1 A 10 10 SER CB C 10 66.361 65.251 1.110 1
1 115 . 4 1 1 A 10 10 SER N N 10 120.300 119.859 0.441 1
1 116 . 4 1 1 A 11 11 THR H H 11 8.590 8.829 -0.239 1
1 117 . 4 1 1 A 11 11 THR HA H 11 5.163 4.487 0.676 1
1 122 . 4 1 1 A 11 11 THR C C 11 173.720 173.910 -0.190 1
1 123 . 4 1 1 A 11 11 THR CA C 11 61.380 62.579 -1.199 1
1 124 . 4 1 1 A 11 11 THR CB C 11 71.950 68.051 3.899 1
1 126 . 4 1 1 A 11 11 THR N N 11 120.191 123.076 -2.885 1
1 127 . 4 1 1 A 12 12 VAL H H 12 8.563 7.956 0.607 1
1 128 . 4 1 1 A 12 12 VAL HA H 12 4.172 4.404 -0.232 1
1 136 . 4 1 1 A 12 12 VAL C C 12 175.380 174.741 0.639 1
1 137 . 4 1 1 A 12 12 VAL CA C 12 61.350 61.528 -0.178 1
1 138 . 4 1 1 A 12 12 VAL CB C 12 33.053 30.875 2.178 1
1 141 . 4 1 1 A 12 12 VAL N N 12 125.000 123.825 1.175 1
1 142 . 4 1 1 A 13 13 ASP H H 13 8.878 8.545 0.333 1
1 143 . 4 1 1 A 13 13 ASP HA H 13 4.501 4.498 0.003 1
1 146 . 4 1 1 A 13 13 ASP C C 13 177.180 177.237 -0.057 1
1 147 . 4 1 1 A 13 13 ASP CA C 13 55.120 54.986 0.134 1
1 148 . 4 1 1 A 13 13 ASP CB C 13 41.450 41.743 -0.293 1
1 149 . 4 1 1 A 13 13 ASP N N 13 128.300 127.709 0.591 1
1 150 . 4 1 1 A 14 14 GLY H H 14 8.697 8.722 -0.025 1
1 151 . 4 1 1 A 14 14 GLY HA2 H 14 4.076 3.879 0.197 1
1 152 . 4 1 1 A 14 14 GLY HA3 H 14 3.719 3.880 -0.161 1
1 153 . 4 1 1 A 14 14 GLY C C 14 173.244 173.346 -0.102 1
1 154 . 4 1 1 A 14 14 GLY CA C 14 45.887 46.031 -0.144 1
1 155 . 4 1 1 A 14 14 GLY N N 14 109.900 113.469 -3.569 1
1 156 . 4 1 1 A 15 15 ALA H H 15 7.360 7.635 -0.275 1
1 157 . 4 1 1 A 15 15 ALA HA H 15 4.601 4.738 -0.137 1
1 161 . 4 1 1 A 15 15 ALA C C 15 176.240 177.178 -0.938 1
1 162 . 4 1 1 A 15 15 ALA CA C 15 51.370 51.057 0.313 1
1 163 . 4 1 1 A 15 15 ALA CB C 15 20.970 21.658 -0.688 1
1 164 . 4 1 1 A 15 15 ALA N N 15 121.213 120.731 0.482 1
1 165 . 4 1 1 A 16 16 GLU H H 16 8.967 8.680 0.287 1
1 166 . 4 1 1 A 16 16 GLU HA H 16 4.406 4.380 0.026 1
1 171 . 4 1 1 A 16 16 GLU C C 16 175.800 176.768 -0.968 1
1 172 . 4 1 1 A 16 16 GLU CA C 16 57.170 58.439 -1.269 1
1 173 . 4 1 1 A 16 16 GLU CB C 16 30.700 30.323 0.377 1
1 175 . 4 1 1 A 16 16 GLU N N 16 120.800 122.872 -2.072 1
1 176 . 4 1 1 A 17 17 SER H H 17 7.587 7.770 -0.183 1
1 177 . 4 1 1 A 17 17 SER HA H 17 4.891 4.846 0.045 1
1 180 . 4 1 1 A 17 17 SER C C 17 172.400 172.603 -0.203 1
1 181 . 4 1 1 A 17 17 SER CA C 17 57.797 57.520 0.277 1
1 182 . 4 1 1 A 17 17 SER CB C 17 64.571 65.399 -0.828 1
1 183 . 4 1 1 A 17 17 SER N N 17 111.600 110.485 1.115 1
1 184 . 4 1 1 A 18 18 LEU H H 18 8.285 8.614 -0.329 1
1 185 . 4 1 1 A 18 18 LEU HA H 18 4.810 4.885 -0.075 1
1 195 . 4 1 1 A 18 18 LEU C C 18 175.800 175.762 0.038 1
1 196 . 4 1 1 A 18 18 LEU CA C 18 54.230 53.664 0.566 1
1 197 . 4 1 1 A 18 18 LEU CB C 18 47.430 45.120 2.310 1
1 201 . 4 1 1 A 18 18 LEU N N 18 122.165 121.439 0.726 1
1 202 . 4 1 1 A 19 19 ASN H H 19 8.920 8.815 0.105 1
1 203 . 4 1 1 A 19 19 ASN HA H 19 5.768 5.180 0.588 1
1 208 . 4 1 1 A 19 19 ASN C C 19 176.170 177.017 -0.847 1
1 209 . 4 1 1 A 19 19 ASN CA C 19 51.650 53.729 -2.079 1
1 210 . 4 1 1 A 19 19 ASN CB C 19 38.430 39.779 -1.349 1
1 211 . 4 1 1 A 19 19 ASN N N 19 118.700 118.408 0.292 1
1 213 . 4 1 1 A 20 20 VAL H H 20 7.805 8.591 -0.786 1
1 214 . 4 1 1 A 20 20 VAL HA H 20 3.297 3.679 -0.382 1
1 222 . 4 1 1 A 20 20 VAL C C 20 176.770 177.169 -0.399 1
1 223 . 4 1 1 A 20 20 VAL CA C 20 67.360 66.221 1.139 1
1 224 . 4 1 1 A 20 20 VAL CB C 20 30.940 31.836 -0.896 1
1 227 . 4 1 1 A 20 20 VAL N N 20 117.900 122.884 -4.984 1
1 228 . 4 1 1 A 21 21 THR H H 21 7.230 8.170 -0.940 1
1 229 . 4 1 1 A 21 21 THR HA H 21 3.665 3.791 -0.126 1
1 234 . 4 1 1 A 21 21 THR C C 21 177.360 176.230 1.130 1
1 235 . 4 1 1 A 21 21 THR CA C 21 67.077 67.437 -0.360 1
1 236 . 4 1 1 A 21 21 THR CB C 21 68.460 68.478 -0.018 1
1 238 . 4 1 1 A 21 21 THR N N 21 117.400 116.743 0.657 1
1 239 . 4 1 1 A 22 22 GLU H H 22 8.750 8.403 0.347 1
1 240 . 4 1 1 A 22 22 GLU HA H 22 4.046 4.024 0.022 1
1 245 . 4 1 1 A 22 22 GLU C C 22 179.910 178.481 1.429 1
1 246 . 4 1 1 A 22 22 GLU CA C 22 58.550 58.942 -0.392 1
1 247 . 4 1 1 A 22 22 GLU CB C 22 30.550 29.355 1.195 1
1 249 . 4 1 1 A 22 22 GLU N N 22 121.238 120.979 0.259 1
1 250 . 4 1 1 A 23 23 LEU H H 23 8.766 8.155 0.611 1
1 251 . 4 1 1 A 23 23 LEU HA H 23 3.935 4.067 -0.132 1
1 261 . 4 1 1 A 23 23 LEU C C 23 177.800 178.376 -0.576 1
1 262 . 4 1 1 A 23 23 LEU CA C 23 58.240 58.180 0.060 1
1 263 . 4 1 1 A 23 23 LEU CB C 23 41.844 41.413 0.431 1
1 267 . 4 1 1 A 23 23 LEU N N 23 123.900 121.252 2.648 1
1 268 . 4 1 1 A 24 24 LEU H H 24 8.305 8.379 -0.074 1
1 269 . 4 1 1 A 24 24 LEU HA H 24 3.690 3.939 -0.249 1
1 279 . 4 1 1 A 24 24 LEU C C 24 179.620 179.495 0.125 1
1 280 . 4 1 1 A 24 24 LEU CA C 24 58.010 57.807 0.203 1
1 281 . 4 1 1 A 24 24 LEU CB C 24 41.320 41.448 -0.128 1
1 285 . 4 1 1 A 24 24 LEU N N 24 117.100 118.682 -1.582 1
1 286 . 4 1 1 A 25 25 SER H H 25 7.226 8.136 -0.910 1
1 287 . 4 1 1 A 25 25 SER HA H 25 4.304 4.158 0.146 1
1 290 . 4 1 1 A 25 25 SER C C 25 178.100 177.345 0.755 1
1 291 . 4 1 1 A 25 25 SER CA C 25 60.900 61.535 -0.635 1
1 292 . 4 1 1 A 25 25 SER CB C 25 62.850 62.707 0.143 1
1 293 . 4 1 1 A 25 25 SER N N 25 111.500 114.407 -2.907 1
1 294 . 4 1 1 A 26 26 ALA H H 26 8.712 8.117 0.595 1
1 295 . 4 1 1 A 26 26 ALA HA H 26 4.138 4.080 0.058 1
1 299 . 4 1 1 A 26 26 ALA C C 26 180.000 179.255 0.745 1
1 300 . 4 1 1 A 26 26 ALA CA C 26 55.180 55.091 0.089 1
1 301 . 4 1 1 A 26 26 ALA CB C 26 18.200 18.465 -0.265 1
1 302 . 4 1 1 A 26 26 ALA N N 26 126.100 123.455 2.645 1
1 303 . 4 1 1 A 27 27 LEU H H 27 8.050 7.538 0.512 1
1 304 . 4 1 1 A 27 27 LEU HA H 27 4.314 4.274 0.040 1
1 314 . 4 1 1 A 27 27 LEU C C 27 175.810 176.175 -0.365 1
1 315 . 4 1 1 A 27 27 LEU CA C 27 54.307 54.556 -0.249 1
1 316 . 4 1 1 A 27 27 LEU CB C 27 42.021 42.082 -0.061 1
1 320 . 4 1 1 A 27 27 LEU N N 27 114.250 115.130 -0.880 1
1 321 . 4 1 1 A 28 28 LYS H H 28 7.766 8.005 -0.239 1
1 322 . 4 1 1 A 28 28 LYS HA H 28 3.869 3.945 -0.076 1
1 331 . 4 1 1 A 28 28 LYS C C 28 176.030 176.184 -0.154 1
1 332 . 4 1 1 A 28 28 LYS CA C 28 56.630 57.118 -0.488 1
1 333 . 4 1 1 A 28 28 LYS CB C 28 28.893 30.882 -1.989 1
1 337 . 4 1 1 A 28 28 LYS N N 28 117.700 119.223 -1.523 1
1 338 . 4 1 1 A 29 29 VAL H H 29 7.583 7.858 -0.275 1
1 339 . 4 1 1 A 29 29 VAL HA H 29 3.520 4.097 -0.577 1
1 347 . 4 1 1 A 29 29 VAL C C 29 176.410 176.512 -0.102 1
1 348 . 4 1 1 A 29 29 VAL CA C 29 63.741 62.617 1.124 1
1 349 . 4 1 1 A 29 29 VAL CB C 29 31.840 32.622 -0.782 1
1 352 . 4 1 1 A 29 29 VAL N N 29 119.200 125.793 -6.593 1
1 353 . 4 1 1 A 30 30 ALA H H 30 8.543 8.454 0.089 1
1 354 . 4 1 1 A 30 30 ALA HA H 30 4.215 4.253 -0.038 1
1 358 . 4 1 1 A 30 30 ALA C C 30 177.710 177.111 0.599 1
1 359 . 4 1 1 A 30 30 ALA CA C 30 52.330 54.020 -1.690 1
1 360 . 4 1 1 A 30 30 ALA CB C 30 19.170 19.502 -0.332 1
1 361 . 4 1 1 A 30 30 ALA N N 30 131.100 127.193 3.907 1
1 362 . 4 1 1 A 31 31 GLN H H 31 8.982 7.817 1.165 1
1 363 . 4 1 1 A 31 31 GLN HA H 31 4.162 4.766 -0.604 1
1 370 . 4 1 1 A 31 31 GLN C C 31 176.670 174.912 1.758 1
1 371 . 4 1 1 A 31 31 GLN CA C 31 56.100 54.584 1.516 1
1 372 . 4 1 1 A 31 31 GLN CB C 31 27.390 32.089 -4.699 1
1 374 . 4 1 1 A 31 31 GLN N N 31 117.300 115.970 1.330 1
1 376 . 4 1 1 A 32 32 ALA H H 32 8.029 8.326 -0.297 1
1 377 . 4 1 1 A 32 32 ALA HA H 32 3.738 4.345 -0.607 1
1 381 . 4 1 1 A 32 32 ALA C C 32 178.700 179.175 -0.475 1
1 382 . 4 1 1 A 32 32 ALA CA C 32 55.010 53.377 1.633 1
1 383 . 4 1 1 A 32 32 ALA CB C 32 18.647 20.425 -1.778 1
1 384 . 4 1 1 A 32 32 ALA N N 32 119.900 124.943 -5.043 1
1 385 . 4 1 1 A 33 33 GLU H H 33 9.338 8.234 1.104 1
1 386 . 4 1 1 A 33 33 GLU HA H 33 4.037 4.125 -0.088 1
1 391 . 4 1 1 A 33 33 GLU C C 33 176.370 177.131 -0.761 1
1 392 . 4 1 1 A 33 33 GLU CA C 33 58.280 59.139 -0.859 1
1 393 . 4 1 1 A 33 33 GLU CB C 33 28.670 28.797 -0.127 1
1 395 . 4 1 1 A 33 33 GLU N N 33 116.800 116.355 0.445 1
1 396 . 4 1 1 A 34 34 TYR H H 34 8.063 7.745 0.318 1
1 397 . 4 1 1 A 34 34 TYR HA H 34 4.820 4.635 0.185 1
1 404 . 4 1 1 A 34 34 TYR C C 34 175.460 175.987 -0.527 1
1 405 . 4 1 1 A 34 34 TYR CA C 34 56.800 58.946 -2.146 1
1 406 . 4 1 1 A 34 34 TYR CB C 34 39.810 38.550 1.260 1
1 411 . 4 1 1 A 34 34 TYR N N 34 116.100 118.203 -2.103 1
1 412 . 4 1 1 A 35 35 VAL H H 35 7.330 7.623 -0.293 1
1 413 . 4 1 1 A 35 35 VAL HA H 35 4.689 4.367 0.322 1
1 421 . 4 1 1 A 35 35 VAL C C 35 173.700 174.499 -0.799 1
1 422 . 4 1 1 A 35 35 VAL CA C 35 61.550 62.771 -1.221 1
1 423 . 4 1 1 A 35 35 VAL CB C 35 33.650 31.743 1.907 1
1 426 . 4 1 1 A 35 35 VAL N N 35 121.200 121.805 -0.605 1
1 427 . 4 1 1 A 36 36 THR H H 36 8.879 9.172 -0.293 1
1 428 . 4 1 1 A 36 36 THR HA H 36 4.696 4.756 -0.060 1
1 433 . 4 1 1 A 36 36 THR C C 36 172.930 173.867 -0.937 1
1 434 . 4 1 1 A 36 36 THR CA C 36 62.300 62.465 -0.165 1
1 435 . 4 1 1 A 36 36 THR CB C 36 70.500 67.927 2.573 1
1 437 . 4 1 1 A 36 36 THR N N 36 126.800 125.751 1.049 1
1 438 . 4 1 1 A 37 37 VAL H H 37 9.616 8.455 1.161 1
1 439 . 4 1 1 A 37 37 VAL HA H 37 5.072 5.024 0.048 1
1 447 . 4 1 1 A 37 37 VAL C C 37 174.820 174.806 0.014 1
1 448 . 4 1 1 A 37 37 VAL CA C 37 59.440 58.922 0.518 1
1 449 . 4 1 1 A 37 37 VAL CB C 37 35.270 34.817 0.453 1
1 452 . 4 1 1 A 37 37 VAL N N 37 127.600 120.018 7.582 1
1 453 . 4 1 1 A 38 38 GLU H H 38 8.934 8.901 0.033 1
1 454 . 4 1 1 A 38 38 GLU HA H 38 5.059 5.164 -0.105 1
1 459 . 4 1 1 A 38 38 GLU C C 38 174.850 174.706 0.144 1
1 460 . 4 1 1 A 38 38 GLU CA C 38 53.989 54.866 -0.877 1
1 461 . 4 1 1 A 38 38 GLU CB C 38 32.599 32.041 0.558 1
1 463 . 4 1 1 A 38 38 GLU N N 38 126.700 123.619 3.081 1
1 464 . 4 1 1 A 39 39 LEU H H 39 9.004 8.776 0.228 1
1 465 . 4 1 1 A 39 39 LEU HA H 39 5.082 4.757 0.325 1
1 474 . 4 1 1 A 39 39 LEU C C 39 175.890 176.624 -0.734 1
1 475 . 4 1 1 A 39 39 LEU CA C 39 53.030 54.438 -1.408 1
1 476 . 4 1 1 A 39 39 LEU CB C 39 45.640 42.547 3.093 1
1 479 . 4 1 1 A 39 39 LEU N N 39 128.700 126.865 1.835 1
1 480 . 4 1 1 A 40 40 ASN H H 40 10.210 9.734 0.476 1
1 481 . 4 1 1 A 40 40 ASN HA H 40 4.495 4.466 0.029 1
1 486 . 4 1 1 A 40 40 ASN C C 40 175.620 175.695 -0.075 1
1 487 . 4 1 1 A 40 40 ASN CA C 40 54.540 54.523 0.017 1
1 488 . 4 1 1 A 40 40 ASN CB C 40 37.280 37.288 -0.008 1
1 489 . 4 1 1 A 40 40 ASN N N 40 128.749 125.980 2.769 1
1 491 . 4 1 1 A 41 41 GLY H H 41 8.913 8.710 0.203 1
1 492 . 4 1 1 A 41 41 GLY HA2 H 41 4.162 3.991 0.171 1
1 493 . 4 1 1 A 41 41 GLY HA3 H 41 3.625 4.025 -0.400 1
1 494 . 4 1 1 A 41 41 GLY C C 41 173.380 173.745 -0.365 1
1 495 . 4 1 1 A 41 41 GLY CA C 41 45.220 45.904 -0.684 1
1 496 . 4 1 1 A 41 41 GLY N N 41 102.811 103.679 -0.868 1
1 497 . 4 1 1 A 42 42 GLU H H 42 7.716 7.802 -0.086 1
1 498 . 4 1 1 A 42 42 GLU HA H 42 4.655 4.826 -0.171 1
1 503 . 4 1 1 A 42 42 GLU C C 42 175.300 174.808 0.492 1
1 504 . 4 1 1 A 42 42 GLU CA C 42 54.190 55.261 -1.071 1
1 505 . 4 1 1 A 42 42 GLU CB C 42 31.770 32.511 -0.741 1
1 507 . 4 1 1 A 42 42 GLU N N 42 120.731 118.764 1.967 1
1 508 . 4 1 1 A 43 43 VAL H H 43 8.872 8.609 0.263 1
1 509 . 4 1 1 A 43 43 VAL HA H 43 4.025 4.460 -0.435 1
1 517 . 4 1 1 A 43 43 VAL C C 43 176.260 175.157 1.103 1
1 518 . 4 1 1 A 43 43 VAL CA C 43 64.110 62.590 1.520 1
1 519 . 4 1 1 A 43 43 VAL CB C 43 31.500 32.898 -1.398 1
1 522 . 4 1 1 A 43 43 VAL N N 43 126.800 126.889 -0.089 1
1 523 . 4 1 1 A 44 44 LEU H H 44 8.810 8.838 -0.028 1
1 524 . 4 1 1 A 44 44 LEU HA H 44 4.656 4.885 -0.229 1
1 534 . 4 1 1 A 44 44 LEU C C 44 177.620 175.447 2.173 1
1 535 . 4 1 1 A 44 44 LEU CA C 44 53.750 53.054 0.696 1
1 536 . 4 1 1 A 44 44 LEU CB C 44 44.080 43.960 0.120 1
1 540 . 4 1 1 A 44 44 LEU N N 44 129.200 127.491 1.709 1
1 541 . 4 1 1 A 45 45 GLU H H 45 8.742 8.377 0.365 1
1 542 . 4 1 1 A 45 45 GLU HA H 45 4.465 4.212 0.253 1
1 547 . 4 1 1 A 45 45 GLU C C 45 177.440 177.281 0.159 1
1 548 . 4 1 1 A 45 45 GLU CA C 45 55.270 56.102 -0.832 1
1 549 . 4 1 1 A 45 45 GLU CB C 45 29.830 31.448 -1.618 1
1 551 . 4 1 1 A 45 45 GLU N N 45 122.500 122.425 0.075 1
1 552 . 4 1 1 A 46 46 ARG H H 46 8.674 8.636 0.038 1
1 553 . 4 1 1 A 46 46 ARG HA H 46 2.384 3.876 -1.492 1
1 560 . 4 1 1 A 46 46 ARG C C 46 179.080 177.768 1.312 1
1 561 . 4 1 1 A 46 46 ARG CA C 46 58.150 59.491 -1.341 1
1 562 . 4 1 1 A 46 46 ARG CB C 46 29.050 30.022 -0.972 1
1 565 . 4 1 1 A 46 46 ARG N N 46 124.600 124.538 0.062 1
1 566 . 4 1 1 A 47 47 GLU H H 47 9.010 8.110 0.900 1
1 567 . 4 1 1 A 47 47 GLU HA H 47 4.008 4.136 -0.128 1
1 572 . 4 1 1 A 47 47 GLU C C 47 176.700 178.672 -1.972 1
1 573 . 4 1 1 A 47 47 GLU CA C 47 58.720 58.599 0.121 1
1 574 . 4 1 1 A 47 47 GLU CB C 47 28.590 29.163 -0.573 1
1 576 . 4 1 1 A 47 47 GLU N N 47 117.300 118.479 -1.179 1
1 577 . 4 1 1 A 48 48 ALA H H 48 8.011 7.861 0.150 1
1 578 . 4 1 1 A 48 48 ALA HA H 48 4.749 4.050 0.699 1
1 582 . 4 1 1 A 48 48 ALA C C 48 180.070 179.502 0.568 1
1 583 . 4 1 1 A 48 48 ALA CA C 48 51.780 54.608 -2.828 1
1 584 . 4 1 1 A 48 48 ALA CB C 48 19.390 18.231 1.159 1
1 585 . 4 1 1 A 48 48 ALA N N 48 120.200 123.607 -3.407 1
1 586 . 4 1 1 A 49 49 PHE H H 49 8.002 7.571 0.431 1
1 587 . 4 1 1 A 49 49 PHE HA H 49 4.305 4.295 0.010 1
1 594 . 4 1 1 A 49 49 PHE C C 49 177.710 177.892 -0.182 1
1 595 . 4 1 1 A 49 49 PHE CA C 49 59.969 61.407 -1.438 1
1 596 . 4 1 1 A 49 49 PHE CB C 49 36.820 38.360 -1.540 1
1 601 . 4 1 1 A 49 49 PHE N N 49 123.801 115.979 7.822 1
1 602 . 4 1 1 A 50 50 ASP H H 50 8.558 8.321 0.237 1
1 603 . 4 1 1 A 50 50 ASP HA H 50 4.561 4.459 0.102 1
1 606 . 4 1 1 A 50 50 ASP C C 50 176.610 177.260 -0.650 1
1 607 . 4 1 1 A 50 50 ASP CA C 50 56.100 56.516 -0.416 1
1 608 . 4 1 1 A 50 50 ASP CB C 50 40.350 41.060 -0.710 1
1 609 . 4 1 1 A 50 50 ASP N N 50 115.500 118.557 -3.057 1
1 610 . 4 1 1 A 51 51 ALA H H 51 7.539 7.681 -0.142 1
1 611 . 4 1 1 A 51 51 ALA HA H 51 4.498 4.414 0.084 1
1 615 . 4 1 1 A 51 51 ALA C C 51 177.370 175.682 1.688 1
1 616 . 4 1 1 A 51 51 ALA CA C 51 51.850 52.336 -0.486 1
1 617 . 4 1 1 A 51 51 ALA CB C 51 20.280 19.578 0.702 1
1 618 . 4 1 1 A 51 51 ALA N N 51 119.500 121.123 -1.623 1
1 619 . 4 1 1 A 52 52 THR H H 52 7.503 7.674 -0.171 1
1 620 . 4 1 1 A 52 52 THR HA H 52 4.376 4.726 -0.350 1
1 625 . 4 1 1 A 52 52 THR C C 52 172.780 173.824 -1.044 1
1 626 . 4 1 1 A 52 52 THR CA C 52 63.450 61.761 1.689 1
1 627 . 4 1 1 A 52 52 THR CB C 52 69.910 70.198 -0.288 1
1 629 . 4 1 1 A 52 52 THR N N 52 117.700 114.106 3.594 1
1 630 . 4 1 1 A 53 53 THR H H 53 8.354 8.939 -0.585 1
1 631 . 4 1 1 A 53 53 THR HA H 53 4.521 4.844 -0.323 1
1 636 . 4 1 1 A 53 53 THR C C 53 173.000 174.161 -1.161 1
1 637 . 4 1 1 A 53 53 THR CA C 53 62.110 62.325 -0.215 1
1 638 . 4 1 1 A 53 53 THR CB C 53 70.380 69.171 1.209 1
1 640 . 4 1 1 A 53 53 THR N N 53 120.700 122.906 -2.206 1
1 641 . 4 1 1 A 54 54 VAL H H 54 9.223 8.913 0.310 1
1 642 . 4 1 1 A 54 54 VAL HA H 54 4.256 4.427 -0.171 1
1 650 . 4 1 1 A 54 54 VAL C C 54 173.500 175.678 -2.178 1
1 651 . 4 1 1 A 54 54 VAL CA C 54 61.330 62.579 -1.249 1
1 652 . 4 1 1 A 54 54 VAL CB C 54 33.090 32.283 0.807 1
1 655 . 4 1 1 A 54 54 VAL N N 54 126.200 127.539 -1.339 1
1 656 . 4 1 1 A 55 55 LYS H H 55 9.074 8.994 0.080 1
1 657 . 4 1 1 A 55 55 LYS HA H 55 4.847 5.003 -0.156 1
1 666 . 4 1 1 A 55 55 LYS C C 55 174.610 174.411 0.199 1
1 667 . 4 1 1 A 55 55 LYS CA C 55 54.265 53.900 0.365 1
1 668 . 4 1 1 A 55 55 LYS CB C 55 36.111 35.874 0.237 1
1 672 . 4 1 1 A 55 55 LYS N N 55 124.700 124.140 0.560 1
1 673 . 4 1 1 A 56 56 ASP H H 56 8.111 8.594 -0.483 1
1 674 . 4 1 1 A 56 56 ASP HA H 56 4.553 4.340 0.213 1
1 677 . 4 1 1 A 56 56 ASP C C 56 177.720 176.972 0.748 1
1 678 . 4 1 1 A 56 56 ASP CA C 56 56.040 55.862 0.178 1
1 679 . 4 1 1 A 56 56 ASP CB C 56 43.070 40.423 2.647 1
1 680 . 4 1 1 A 56 56 ASP N N 56 116.700 122.336 -5.636 1
1 681 . 4 1 1 A 57 57 GLY H H 57 9.330 9.137 0.193 1
1 682 . 4 1 1 A 57 57 GLY HA2 H 57 4.343 3.977 0.366 1
1 683 . 4 1 1 A 57 57 GLY HA3 H 57 3.652 3.978 -0.326 1
1 684 . 4 1 1 A 57 57 GLY C C 57 175.140 174.151 0.989 1
1 685 . 4 1 1 A 57 57 GLY CA C 57 44.869 44.981 -0.112 1
1 686 . 4 1 1 A 57 57 GLY N N 57 113.900 114.046 -0.146 1
1 687 . 4 1 1 A 58 58 ASP H H 58 8.104 7.601 0.503 1
1 688 . 4 1 1 A 58 58 ASP HA H 58 4.808 4.853 -0.045 1
1 691 . 4 1 1 A 58 58 ASP C C 58 174.100 174.598 -0.498 1
1 692 . 4 1 1 A 58 58 ASP CA C 58 55.700 54.458 1.242 1
1 693 . 4 1 1 A 58 58 ASP CB C 58 42.080 42.150 -0.070 1
1 694 . 4 1 1 A 58 58 ASP N N 58 122.600 120.515 2.085 1
1 695 . 4 1 1 A 59 59 ALA H H 59 8.326 8.668 -0.342 1
1 696 . 4 1 1 A 59 59 ALA HA H 59 5.208 5.419 -0.211 1
1 700 . 4 1 1 A 59 59 ALA C C 59 174.350 175.357 -1.007 1
1 701 . 4 1 1 A 59 59 ALA CA C 59 50.110 50.492 -0.382 1
1 702 . 4 1 1 A 59 59 ALA CB C 59 20.760 20.356 0.404 1
1 703 . 4 1 1 A 59 59 ALA N N 59 121.100 121.928 -0.828 1
1 704 . 4 1 1 A 60 60 VAL H H 60 9.061 8.906 0.155 1
1 705 . 4 1 1 A 60 60 VAL HA H 60 4.117 4.784 -0.667 1
1 713 . 4 1 1 A 60 60 VAL C C 60 174.300 174.033 0.267 1
1 714 . 4 1 1 A 60 60 VAL CA C 60 61.830 60.341 1.489 1
1 715 . 4 1 1 A 60 60 VAL CB C 60 33.640 34.105 -0.465 1
1 718 . 4 1 1 A 60 60 VAL N N 60 121.800 124.616 -2.816 1
1 719 . 4 1 1 A 61 61 GLU H H 61 9.027 9.011 0.016 1
1 720 . 4 1 1 A 61 61 GLU HA H 61 4.778 4.893 -0.115 1
1 725 . 4 1 1 A 61 61 GLU C C 61 176.200 175.356 0.844 1
1 726 . 4 1 1 A 61 61 GLU CA C 61 54.152 55.597 -1.445 1
1 727 . 4 1 1 A 61 61 GLU CB C 61 32.477 30.448 2.029 1
1 729 . 4 1 1 A 61 61 GLU N N 61 123.900 127.934 -4.034 1
1 730 . 4 1 1 A 62 62 PHE H H 62 9.075 9.251 -0.176 1
1 731 . 4 1 1 A 62 62 PHE HA H 62 5.317 4.986 0.331 1
1 739 . 4 1 1 A 62 62 PHE C C 62 174.490 176.031 -1.541 1
1 740 . 4 1 1 A 62 62 PHE CA C 62 54.910 58.459 -3.549 1
1 741 . 4 1 1 A 62 62 PHE CB C 62 39.640 40.532 -0.892 1
1 747 . 4 1 1 A 62 62 PHE N N 62 122.000 124.529 -2.529 1
1 748 . 4 1 1 A 63 63 LEU H H 63 8.996 8.115 0.881 1
1 749 . 4 1 1 A 63 63 LEU HA H 63 4.643 4.850 -0.207 1
1 759 . 4 1 1 A 63 63 LEU C C 63 175.030 175.545 -0.515 1
1 760 . 4 1 1 A 63 63 LEU CA C 63 53.630 52.953 0.677 1
1 761 . 4 1 1 A 63 63 LEU CB C 63 44.680 45.326 -0.646 1
1 765 . 4 1 1 A 63 63 LEU N N 63 125.000 119.726 5.274 1
1 766 . 4 1 1 A 64 64 TYR H H 64 8.669 8.287 0.382 1
1 767 . 4 1 1 A 64 64 TYR HA H 64 4.758 4.036 0.722 1
1 774 . 4 1 1 A 64 64 TYR C C 64 175.630 175.988 -0.358 1
1 775 . 4 1 1 A 64 64 TYR CA C 64 57.460 61.327 -3.867 1
1 776 . 4 1 1 A 64 64 TYR CB C 64 39.690 36.042 3.648 1
1 781 . 4 1 1 A 64 64 TYR N N 64 120.100 116.846 3.254 1
1 782 . 4 1 1 A 65 65 PHE H H 65 8.688 8.316 0.372 1
1 783 . 4 1 1 A 65 65 PHE HA H 65 4.777 4.539 0.238 1
1 791 . 4 1 1 A 65 65 PHE C C 65 175.940 176.014 -0.074 1
1 792 . 4 1 1 A 65 65 PHE CA C 65 57.325 60.715 -3.390 1
1 793 . 4 1 1 A 65 65 PHE CB C 65 39.340 39.074 0.266 1
1 799 . 4 1 1 A 65 65 PHE N N 65 122.100 117.287 4.813 1
1 800 . 4 1 1 A 66 66 MET H H 66 8.611 7.984 0.627 1
1 801 . 4 1 1 A 66 66 MET HA H 66 4.537 4.917 -0.380 1
1 806 . 4 1 1 A 66 66 MET C C 66 176.630 175.129 1.501 1
1 807 . 4 1 1 A 66 66 MET CA C 66 55.370 53.822 1.548 1
1 808 . 4 1 1 A 66 66 MET CB C 66 32.710 35.426 -2.716 1
1 810 . 4 1 1 A 66 66 MET N N 66 121.700 115.564 6.136 1
1 811 . 4 1 1 A 67 67 GLY H H 67 8.213 8.679 -0.466 1
1 812 . 4 1 1 A 67 67 GLY HA2 H 67 3.928 4.218 -0.290 1
1 813 . 4 1 1 A 67 67 GLY HA3 H 67 3.928 4.229 -0.301 1
1 814 . 4 1 1 A 67 67 GLY C C 67 174.800 174.959 -0.159 1
1 815 . 4 1 1 A 67 67 GLY CA C 67 45.359 45.983 -0.624 1
1 816 . 4 1 1 A 67 67 GLY N N 67 109.600 108.153 1.447 1
1 817 . 4 1 1 A 68 68 GLY H H 68 8.353 8.053 0.300 1
1 818 . 4 1 1 A 68 68 GLY HA2 H 68 4.862 3.995 0.867 1
1 819 . 4 1 1 A 68 68 GLY HA3 H 68 4.861 3.999 0.862 1
1 820 . 4 1 1 A 68 68 GLY C C 68 174.760 175.005 -0.245 1
1 821 . 4 1 1 A 68 68 GLY CA C 68 45.402 45.567 -0.165 1
1 822 . 4 1 1 A 68 68 GLY N N 68 108.600 109.092 -0.492 1
1 823 . 4 1 1 A 69 69 GLY H H 69 8.406 7.950 0.456 1
1 824 . 4 1 1 A 69 69 GLY HA2 H 69 3.953 3.862 0.091 1
1 825 . 4 1 1 A 69 69 GLY HA3 H 69 3.953 3.901 0.052 1
1 826 . 4 1 1 A 69 69 GLY C C 69 174.070 174.376 -0.306 1
1 827 . 4 1 1 A 69 69 GLY CA C 69 45.242 46.349 -1.107 1
1 828 . 4 1 1 A 69 69 GLY N N 69 109.100 108.986 0.114 1
1 829 . 4 1 1 A 70 70 LYS H H 70 8.153 7.833 0.320 1
1 830 . 4 1 1 A 70 70 LYS HA H 70 4.255 4.547 -0.292 1
1 839 . 4 1 1 A 70 70 LYS C C 70 176.490 176.280 0.210 1
1 840 . 4 1 1 A 70 70 LYS CA C 70 56.370 54.754 1.616 1
1 841 . 4 1 1 A 70 70 LYS CB C 70 33.130 33.161 -0.031 1
1 845 . 4 1 1 A 70 70 LYS N N 70 120.500 121.132 -0.632 1
1 846 . 4 1 1 A 71 71 LEU H H 71 8.253 8.845 -0.592 1
1 847 . 4 1 1 A 71 71 LEU HA H 71 4.285 4.011 0.274 1
1 857 . 4 1 1 A 71 71 LEU C C 71 177.110 176.150 0.960 1
1 858 . 4 1 1 A 71 71 LEU CA C 71 55.120 56.268 -1.148 1
1 859 . 4 1 1 A 71 71 LEU CB C 71 42.236 40.002 2.234 1
1 863 . 4 1 1 A 71 71 LEU N N 71 122.905 125.416 -2.511 1
1 864 . 4 1 1 A 72 72 GLU H H 72 8.343 7.867 0.476 1
1 865 . 4 1 1 A 72 72 GLU HA H 72 4.238 4.501 -0.263 1
1 870 . 4 1 1 A 72 72 GLU C C 72 176.100 176.633 -0.533 1
1 871 . 4 1 1 A 72 72 GLU CA C 72 56.760 55.865 0.895 1
1 872 . 4 1 1 A 72 72 GLU CB C 72 30.619 29.771 0.848 1
1 874 . 4 1 1 A 72 72 GLU N N 72 121.500 118.832 2.668 1
1 875 . 4 1 1 A 73 73 HIS H H 73 8.404 7.610 0.794 1
1 876 . 4 1 1 A 73 73 HIS HA H 73 4.593 4.503 0.090 1
1 879 . 4 1 1 A 73 73 HIS C C 73 173.840 174.199 -0.359 1
1 880 . 4 1 1 A 73 73 HIS CA C 73 55.777 55.240 0.537 1
1 881 . 4 1 1 A 73 73 HIS CB C 73 30.080 28.712 1.368 1
1 882 . 4 1 1 A 73 73 HIS N N 73 119.733 118.895 0.838 1
1 883 . 4 1 1 A 74 74 HIS H H 74 8.213 8.243 -0.030 1
1 884 . 4 1 1 A 74 74 HIS CA C 74 57.175 54.246 2.929 1
1 885 . 4 1 1 A 74 74 HIS CB C 74 30.671 32.300 -1.629 1
1 9 . 5 1 1 A 2 2 ASN H H 2 9.645 8.823 0.822 1
1 10 . 5 1 1 A 2 2 ASN HA H 2 5.430 5.348 0.082 1
1 15 . 5 1 1 A 2 2 ASN CA C 2 52.761 52.569 0.192 1
1 16 . 5 1 1 A 2 2 ASN CB C 2 40.140 39.812 0.328 1
1 17 . 5 1 1 A 2 2 ASN N N 2 125.300 120.204 5.096 1
1 19 . 5 1 1 A 3 3 LEU H H 3 8.769 9.387 -0.618 1
1 20 . 5 1 1 A 3 3 LEU HA H 3 4.949 5.338 -0.389 1
1 30 . 5 1 1 A 3 3 LEU C C 3 176.320 175.936 0.384 1
1 31 . 5 1 1 A 3 3 LEU CA C 3 54.223 53.414 0.809 1
1 32 . 5 1 1 A 3 3 LEU CB C 3 45.941 44.489 1.452 1
1 36 . 5 1 1 A 3 3 LEU N N 3 121.800 124.885 -3.085 1
1 37 . 5 1 1 A 4 4 THR H H 4 8.329 9.092 -0.763 1
1 38 . 5 1 1 A 4 4 THR HA H 4 4.744 4.611 0.133 1
1 43 . 5 1 1 A 4 4 THR C C 4 173.650 173.993 -0.343 1
1 44 . 5 1 1 A 4 4 THR CA C 4 62.150 61.849 0.301 1
1 45 . 5 1 1 A 4 4 THR CB C 4 69.430 66.650 2.780 1
1 47 . 5 1 1 A 4 4 THR N N 4 116.200 120.533 -4.333 1
1 48 . 5 1 1 A 5 5 VAL H H 5 8.955 8.389 0.566 1
1 49 . 5 1 1 A 5 5 VAL HA H 5 4.683 4.555 0.128 1
1 57 . 5 1 1 A 5 5 VAL C C 5 176.470 176.492 -0.022 1
1 58 . 5 1 1 A 5 5 VAL CA C 5 60.724 62.699 -1.975 1
1 59 . 5 1 1 A 5 5 VAL CB C 5 33.590 31.848 1.742 1
1 62 . 5 1 1 A 5 5 VAL N N 5 126.000 126.114 -0.114 1
1 63 . 5 1 1 A 6 6 ASN H H 6 9.534 9.610 -0.076 1
1 64 . 5 1 1 A 6 6 ASN HA H 6 4.636 4.521 0.115 1
1 69 . 5 1 1 A 6 6 ASN C C 6 175.900 175.411 0.489 1
1 70 . 5 1 1 A 6 6 ASN CA C 6 54.150 54.546 -0.396 1
1 71 . 5 1 1 A 6 6 ASN CB C 6 36.410 37.020 -0.610 1
1 72 . 5 1 1 A 6 6 ASN N N 6 129.400 128.419 0.981 1
1 74 . 5 1 1 A 7 7 GLY H H 7 8.915 8.137 0.778 1
1 75 . 5 1 1 A 7 7 GLY HA2 H 7 4.170 3.891 0.279 1
1 76 . 5 1 1 A 7 7 GLY HA3 H 7 3.485 3.895 -0.410 1
1 77 . 5 1 1 A 7 7 GLY C C 7 173.950 173.665 0.285 1
1 78 . 5 1 1 A 7 7 GLY CA C 7 45.337 45.367 -0.030 1
1 79 . 5 1 1 A 7 7 GLY N N 7 102.200 104.886 -2.686 1
1 80 . 5 1 1 A 8 8 LYS H H 8 7.900 8.059 -0.159 1
1 81 . 5 1 1 A 8 8 LYS HA H 8 4.987 4.708 0.279 1
1 90 . 5 1 1 A 8 8 LYS CA C 8 52.940 53.130 -0.190 1
1 91 . 5 1 1 A 8 8 LYS CB C 8 34.010 33.281 0.729 1
1 95 . 5 1 1 A 8 8 LYS N N 8 121.700 120.976 0.724 1
1 96 . 5 1 1 A 9 9 PRO HA H 9 4.700 4.847 -0.147 1
1 103 . 5 1 1 A 9 9 PRO C C 9 176.900 175.819 1.081 1
1 104 . 5 1 1 A 9 9 PRO CA C 9 63.990 62.193 1.797 1
1 105 . 5 1 1 A 9 9 PRO CB C 9 32.000 31.462 0.538 1
1 108 . 5 1 1 A 10 10 SER H H 10 8.970 8.851 0.119 1
1 109 . 5 1 1 A 10 10 SER HA H 10 4.822 5.198 -0.376 1
1 112 . 5 1 1 A 10 10 SER C C 10 172.800 173.277 -0.477 1
1 113 . 5 1 1 A 10 10 SER CA C 10 57.880 56.461 1.419 1
1 114 . 5 1 1 A 10 10 SER CB C 10 66.361 66.353 0.008 1
1 115 . 5 1 1 A 10 10 SER N N 10 120.300 117.667 2.633 1
1 116 . 5 1 1 A 11 11 THR H H 11 8.590 8.804 -0.214 1
1 117 . 5 1 1 A 11 11 THR HA H 11 5.163 5.108 0.055 1
1 122 . 5 1 1 A 11 11 THR C C 11 173.720 173.442 0.278 1
1 123 . 5 1 1 A 11 11 THR CA C 11 61.380 61.692 -0.312 1
1 124 . 5 1 1 A 11 11 THR CB C 11 71.950 71.436 0.514 1
1 126 . 5 1 1 A 11 11 THR N N 11 120.191 118.872 1.319 1
1 127 . 5 1 1 A 12 12 VAL H H 12 8.563 8.550 0.013 1
1 128 . 5 1 1 A 12 12 VAL HA H 12 4.172 4.649 -0.477 1
1 136 . 5 1 1 A 12 12 VAL C C 12 175.380 174.695 0.685 1
1 137 . 5 1 1 A 12 12 VAL CA C 12 61.350 61.035 0.315 1
1 138 . 5 1 1 A 12 12 VAL CB C 12 33.053 32.659 0.394 1
1 141 . 5 1 1 A 12 12 VAL N N 12 125.000 123.264 1.736 1
1 142 . 5 1 1 A 13 13 ASP H H 13 8.878 8.788 0.090 1
1 143 . 5 1 1 A 13 13 ASP HA H 13 4.501 4.311 0.190 1
1 146 . 5 1 1 A 13 13 ASP C C 13 177.180 176.903 0.277 1
1 147 . 5 1 1 A 13 13 ASP CA C 13 55.120 55.704 -0.584 1
1 148 . 5 1 1 A 13 13 ASP CB C 13 41.450 40.905 0.545 1
1 149 . 5 1 1 A 13 13 ASP N N 13 128.300 127.103 1.197 1
1 150 . 5 1 1 A 14 14 GLY H H 14 8.697 8.981 -0.284 1
1 151 . 5 1 1 A 14 14 GLY HA2 H 14 4.076 3.980 0.096 1
1 152 . 5 1 1 A 14 14 GLY HA3 H 14 3.719 3.981 -0.262 1
1 153 . 5 1 1 A 14 14 GLY C C 14 173.244 174.281 -1.037 1
1 154 . 5 1 1 A 14 14 GLY CA C 14 45.887 45.565 0.322 1
1 155 . 5 1 1 A 14 14 GLY N N 14 109.900 114.270 -4.370 1
1 156 . 5 1 1 A 15 15 ALA H H 15 7.360 7.688 -0.328 1
1 157 . 5 1 1 A 15 15 ALA HA H 15 4.601 4.235 0.366 1
1 161 . 5 1 1 A 15 15 ALA C C 15 176.240 177.209 -0.969 1
1 162 . 5 1 1 A 15 15 ALA CA C 15 51.370 52.831 -1.461 1
1 163 . 5 1 1 A 15 15 ALA CB C 15 20.970 19.125 1.845 1
1 164 . 5 1 1 A 15 15 ALA N N 15 121.213 123.689 -2.476 1
1 165 . 5 1 1 A 16 16 GLU H H 16 8.967 9.004 -0.037 1
1 166 . 5 1 1 A 16 16 GLU HA H 16 4.406 4.507 -0.101 1
1 171 . 5 1 1 A 16 16 GLU C C 16 175.800 176.546 -0.746 1
1 172 . 5 1 1 A 16 16 GLU CA C 16 57.170 57.962 -0.792 1
1 173 . 5 1 1 A 16 16 GLU CB C 16 30.700 30.932 -0.232 1
1 175 . 5 1 1 A 16 16 GLU N N 16 120.800 124.720 -3.920 1
1 176 . 5 1 1 A 17 17 SER H H 17 7.587 8.112 -0.525 1
1 177 . 5 1 1 A 17 17 SER HA H 17 4.891 5.032 -0.141 1
1 180 . 5 1 1 A 17 17 SER C C 17 172.400 172.981 -0.581 1
1 181 . 5 1 1 A 17 17 SER CA C 17 57.797 57.101 0.696 1
1 182 . 5 1 1 A 17 17 SER CB C 17 64.571 65.671 -1.100 1
1 183 . 5 1 1 A 17 17 SER N N 17 111.600 111.382 0.218 1
1 184 . 5 1 1 A 18 18 LEU H H 18 8.285 8.847 -0.562 1
1 185 . 5 1 1 A 18 18 LEU HA H 18 4.810 4.882 -0.072 1
1 195 . 5 1 1 A 18 18 LEU C C 18 175.800 175.614 0.186 1
1 196 . 5 1 1 A 18 18 LEU CA C 18 54.230 53.761 0.469 1
1 197 . 5 1 1 A 18 18 LEU CB C 18 47.430 44.495 2.935 1
1 201 . 5 1 1 A 18 18 LEU N N 18 122.165 123.320 -1.155 1
1 202 . 5 1 1 A 19 19 ASN H H 19 8.920 8.861 0.059 1
1 203 . 5 1 1 A 19 19 ASN HA H 19 5.768 5.137 0.631 1
1 208 . 5 1 1 A 19 19 ASN C C 19 176.170 177.070 -0.900 1
1 209 . 5 1 1 A 19 19 ASN CA C 19 51.650 53.600 -1.950 1
1 210 . 5 1 1 A 19 19 ASN CB C 19 38.430 39.631 -1.201 1
1 211 . 5 1 1 A 19 19 ASN N N 19 118.700 118.479 0.221 1
1 213 . 5 1 1 A 20 20 VAL H H 20 7.805 8.912 -1.107 1
1 214 . 5 1 1 A 20 20 VAL HA H 20 3.297 3.692 -0.395 1
1 222 . 5 1 1 A 20 20 VAL C C 20 176.770 177.228 -0.458 1
1 223 . 5 1 1 A 20 20 VAL CA C 20 67.360 66.247 1.113 1
1 224 . 5 1 1 A 20 20 VAL CB C 20 30.940 31.706 -0.766 1
1 227 . 5 1 1 A 20 20 VAL N N 20 117.900 122.731 -4.831 1
1 228 . 5 1 1 A 21 21 THR H H 21 7.230 8.365 -1.135 1
1 229 . 5 1 1 A 21 21 THR HA H 21 3.665 3.820 -0.155 1
1 234 . 5 1 1 A 21 21 THR C C 21 177.360 176.204 1.156 1
1 235 . 5 1 1 A 21 21 THR CA C 21 67.077 67.352 -0.275 1
1 236 . 5 1 1 A 21 21 THR CB C 21 68.460 68.645 -0.185 1
1 238 . 5 1 1 A 21 21 THR N N 21 117.400 116.988 0.412 1
1 239 . 5 1 1 A 22 22 GLU H H 22 8.750 8.140 0.610 1
1 240 . 5 1 1 A 22 22 GLU HA H 22 4.046 4.013 0.033 1
1 245 . 5 1 1 A 22 22 GLU C C 22 179.910 179.309 0.601 1
1 246 . 5 1 1 A 22 22 GLU CA C 22 58.550 59.357 -0.807 1
1 247 . 5 1 1 A 22 22 GLU CB C 22 30.550 29.414 1.136 1
1 249 . 5 1 1 A 22 22 GLU N N 22 121.238 119.950 1.288 1
1 250 . 5 1 1 A 23 23 LEU H H 23 8.766 8.093 0.673 1
1 251 . 5 1 1 A 23 23 LEU HA H 23 3.935 4.000 -0.065 1
1 261 . 5 1 1 A 23 23 LEU C C 23 177.800 178.414 -0.614 1
1 262 . 5 1 1 A 23 23 LEU CA C 23 58.240 58.144 0.096 1
1 263 . 5 1 1 A 23 23 LEU CB C 23 41.844 41.734 0.110 1
1 267 . 5 1 1 A 23 23 LEU N N 23 123.900 122.260 1.640 1
1 268 . 5 1 1 A 24 24 LEU H H 24 8.305 8.495 -0.190 1
1 269 . 5 1 1 A 24 24 LEU HA H 24 3.690 3.929 -0.239 1
1 279 . 5 1 1 A 24 24 LEU C C 24 179.620 179.629 -0.009 1
1 280 . 5 1 1 A 24 24 LEU CA C 24 58.010 57.830 0.180 1
1 281 . 5 1 1 A 24 24 LEU CB C 24 41.320 41.572 -0.252 1
1 285 . 5 1 1 A 24 24 LEU N N 24 117.100 118.770 -1.670 1
1 286 . 5 1 1 A 25 25 SER H H 25 7.226 7.965 -0.739 1
1 287 . 5 1 1 A 25 25 SER HA H 25 4.304 4.084 0.220 1
1 290 . 5 1 1 A 25 25 SER C C 25 178.100 177.328 0.772 1
1 291 . 5 1 1 A 25 25 SER CA C 25 60.900 61.574 -0.674 1
1 292 . 5 1 1 A 25 25 SER CB C 25 62.850 63.031 -0.181 1
1 293 . 5 1 1 A 25 25 SER N N 25 111.500 114.144 -2.644 1
1 294 . 5 1 1 A 26 26 ALA H H 26 8.712 8.051 0.661 1
1 295 . 5 1 1 A 26 26 ALA HA H 26 4.138 4.210 -0.072 1
1 299 . 5 1 1 A 26 26 ALA C C 26 180.000 179.396 0.604 1
1 300 . 5 1 1 A 26 26 ALA CA C 26 55.180 55.002 0.178 1
1 301 . 5 1 1 A 26 26 ALA CB C 26 18.200 18.321 -0.121 1
1 302 . 5 1 1 A 26 26 ALA N N 26 126.100 122.945 3.155 1
1 303 . 5 1 1 A 27 27 LEU H H 27 8.050 8.086 -0.036 1
1 304 . 5 1 1 A 27 27 LEU HA H 27 4.314 4.227 0.087 1
1 314 . 5 1 1 A 27 27 LEU C C 27 175.810 176.499 -0.689 1
1 315 . 5 1 1 A 27 27 LEU CA C 27 54.307 56.459 -2.152 1
1 316 . 5 1 1 A 27 27 LEU CB C 27 42.021 42.962 -0.941 1
1 320 . 5 1 1 A 27 27 LEU N N 27 114.250 118.959 -4.709 1
1 321 . 5 1 1 A 28 28 LYS H H 28 7.766 7.797 -0.031 1
1 322 . 5 1 1 A 28 28 LYS HA H 28 3.869 3.969 -0.100 1
1 331 . 5 1 1 A 28 28 LYS C C 28 176.030 176.096 -0.066 1
1 332 . 5 1 1 A 28 28 LYS CA C 28 56.630 57.163 -0.533 1
1 333 . 5 1 1 A 28 28 LYS CB C 28 28.893 30.969 -2.076 1
1 337 . 5 1 1 A 28 28 LYS N N 28 117.700 119.213 -1.513 1
1 338 . 5 1 1 A 29 29 VAL H H 29 7.583 7.682 -0.099 1
1 339 . 5 1 1 A 29 29 VAL HA H 29 3.520 4.356 -0.836 1
1 347 . 5 1 1 A 29 29 VAL C C 29 176.410 176.800 -0.390 1
1 348 . 5 1 1 A 29 29 VAL CA C 29 63.741 60.674 3.067 1
1 349 . 5 1 1 A 29 29 VAL CB C 29 31.840 33.186 -1.346 1
1 352 . 5 1 1 A 29 29 VAL N N 29 119.200 122.066 -2.866 1
1 353 . 5 1 1 A 30 30 ALA H H 30 8.543 8.761 -0.218 1
1 354 . 5 1 1 A 30 30 ALA HA H 30 4.215 4.211 0.004 1
1 358 . 5 1 1 A 30 30 ALA C C 30 177.710 177.581 0.129 1
1 359 . 5 1 1 A 30 30 ALA CA C 30 52.330 53.992 -1.662 1
1 360 . 5 1 1 A 30 30 ALA CB C 30 19.170 19.349 -0.179 1
1 361 . 5 1 1 A 30 30 ALA N N 30 131.100 127.857 3.243 1
1 362 . 5 1 1 A 31 31 GLN H H 31 8.982 7.917 1.065 1
1 363 . 5 1 1 A 31 31 GLN HA H 31 4.162 4.859 -0.697 1
1 370 . 5 1 1 A 31 31 GLN C C 31 176.670 174.891 1.779 1
1 371 . 5 1 1 A 31 31 GLN CA C 31 56.100 54.630 1.470 1
1 372 . 5 1 1 A 31 31 GLN CB C 31 27.390 32.186 -4.796 1
1 374 . 5 1 1 A 31 31 GLN N N 31 117.300 116.516 0.784 1
1 376 . 5 1 1 A 32 32 ALA H H 32 8.029 8.542 -0.513 1
1 377 . 5 1 1 A 32 32 ALA HA H 32 3.738 4.678 -0.940 1
1 381 . 5 1 1 A 32 32 ALA C C 32 178.700 177.969 0.731 1
1 382 . 5 1 1 A 32 32 ALA CA C 32 55.010 51.096 3.914 1
1 383 . 5 1 1 A 32 32 ALA CB C 32 18.647 19.837 -1.190 1
1 384 . 5 1 1 A 32 32 ALA N N 32 119.900 126.466 -6.566 1
1 385 . 5 1 1 A 33 33 GLU H H 33 9.338 8.078 1.260 1
1 386 . 5 1 1 A 33 33 GLU HA H 33 4.037 4.747 -0.710 1
1 391 . 5 1 1 A 33 33 GLU C C 33 176.370 177.250 -0.880 1
1 392 . 5 1 1 A 33 33 GLU CA C 33 58.280 56.562 1.718 1
1 393 . 5 1 1 A 33 33 GLU CB C 33 28.670 31.953 -3.283 1
1 395 . 5 1 1 A 33 33 GLU N N 33 116.800 116.069 0.731 1
1 396 . 5 1 1 A 34 34 TYR H H 34 8.063 8.081 -0.018 1
1 397 . 5 1 1 A 34 34 TYR HA H 34 4.820 4.564 0.256 1
1 404 . 5 1 1 A 34 34 TYR C C 34 175.460 175.928 -0.468 1
1 405 . 5 1 1 A 34 34 TYR CA C 34 56.800 59.200 -2.400 1
1 406 . 5 1 1 A 34 34 TYR CB C 34 39.810 38.941 0.869 1
1 411 . 5 1 1 A 34 34 TYR N N 34 116.100 118.646 -2.546 1
1 412 . 5 1 1 A 35 35 VAL H H 35 7.330 7.496 -0.166 1
1 413 . 5 1 1 A 35 35 VAL HA H 35 4.689 4.047 0.642 1
1 421 . 5 1 1 A 35 35 VAL C C 35 173.700 174.983 -1.283 1
1 422 . 5 1 1 A 35 35 VAL CA C 35 61.550 62.387 -0.837 1
1 423 . 5 1 1 A 35 35 VAL CB C 35 33.650 32.312 1.338 1
1 426 . 5 1 1 A 35 35 VAL N N 35 121.200 121.005 0.195 1
1 427 . 5 1 1 A 36 36 THR H H 36 8.879 9.313 -0.434 1
1 428 . 5 1 1 A 36 36 THR HA H 36 4.696 4.953 -0.257 1
1 433 . 5 1 1 A 36 36 THR C C 36 172.930 173.283 -0.353 1
1 434 . 5 1 1 A 36 36 THR CA C 36 62.300 61.980 0.320 1
1 435 . 5 1 1 A 36 36 THR CB C 36 70.500 68.896 1.604 1
1 437 . 5 1 1 A 36 36 THR N N 36 126.800 125.386 1.414 1
1 438 . 5 1 1 A 37 37 VAL H H 37 9.616 8.795 0.821 1
1 439 . 5 1 1 A 37 37 VAL HA H 37 5.072 4.918 0.154 1
1 447 . 5 1 1 A 37 37 VAL C C 37 174.820 175.086 -0.266 1
1 448 . 5 1 1 A 37 37 VAL CA C 37 59.440 60.787 -1.347 1
1 449 . 5 1 1 A 37 37 VAL CB C 37 35.270 32.668 2.602 1
1 452 . 5 1 1 A 37 37 VAL N N 37 127.600 122.581 5.019 1
1 453 . 5 1 1 A 38 38 GLU H H 38 8.934 8.322 0.612 1
1 454 . 5 1 1 A 38 38 GLU HA H 38 5.059 5.146 -0.087 1
1 459 . 5 1 1 A 38 38 GLU C C 38 174.850 175.770 -0.920 1
1 460 . 5 1 1 A 38 38 GLU CA C 38 53.989 55.445 -1.456 1
1 461 . 5 1 1 A 38 38 GLU CB C 38 32.599 29.865 2.734 1
1 463 . 5 1 1 A 38 38 GLU N N 38 126.700 125.766 0.934 1
1 464 . 5 1 1 A 39 39 LEU H H 39 9.004 8.410 0.594 1
1 465 . 5 1 1 A 39 39 LEU HA H 39 5.082 4.598 0.484 1
1 474 . 5 1 1 A 39 39 LEU C C 39 175.890 176.716 -0.826 1
1 475 . 5 1 1 A 39 39 LEU CA C 39 53.030 54.988 -1.958 1
1 476 . 5 1 1 A 39 39 LEU CB C 39 45.640 42.043 3.597 1
1 479 . 5 1 1 A 39 39 LEU N N 39 128.700 123.643 5.057 1
1 480 . 5 1 1 A 40 40 ASN H H 40 10.210 9.694 0.516 1
1 481 . 5 1 1 A 40 40 ASN HA H 40 4.495 4.494 0.001 1
1 486 . 5 1 1 A 40 40 ASN C C 40 175.620 175.645 -0.025 1
1 487 . 5 1 1 A 40 40 ASN CA C 40 54.540 54.537 0.003 1
1 488 . 5 1 1 A 40 40 ASN CB C 40 37.280 37.426 -0.146 1
1 489 . 5 1 1 A 40 40 ASN N N 40 128.749 118.501 10.248 1
1 491 . 5 1 1 A 41 41 GLY H H 41 8.913 8.521 0.392 1
1 492 . 5 1 1 A 41 41 GLY HA2 H 41 4.162 3.923 0.239 1
1 493 . 5 1 1 A 41 41 GLY HA3 H 41 3.625 3.924 -0.299 1
1 494 . 5 1 1 A 41 41 GLY C C 41 173.380 173.891 -0.511 1
1 495 . 5 1 1 A 41 41 GLY CA C 41 45.220 46.386 -1.166 1
1 496 . 5 1 1 A 41 41 GLY N N 41 102.811 103.870 -1.059 1
1 497 . 5 1 1 A 42 42 GLU H H 42 7.716 7.741 -0.025 1
1 498 . 5 1 1 A 42 42 GLU HA H 42 4.655 4.784 -0.129 1
1 503 . 5 1 1 A 42 42 GLU C C 42 175.300 174.523 0.777 1
1 504 . 5 1 1 A 42 42 GLU CA C 42 54.190 55.641 -1.451 1
1 505 . 5 1 1 A 42 42 GLU CB C 42 31.770 32.181 -0.411 1
1 507 . 5 1 1 A 42 42 GLU N N 42 120.731 118.910 1.821 1
1 508 . 5 1 1 A 43 43 VAL H H 43 8.872 8.754 0.118 1
1 509 . 5 1 1 A 43 43 VAL HA H 43 4.025 4.592 -0.567 1
1 517 . 5 1 1 A 43 43 VAL C C 43 176.260 174.451 1.809 1
1 518 . 5 1 1 A 43 43 VAL CA C 43 64.110 61.595 2.515 1
1 519 . 5 1 1 A 43 43 VAL CB C 43 31.500 33.512 -2.012 1
1 522 . 5 1 1 A 43 43 VAL N N 43 126.800 126.887 -0.087 1
1 523 . 5 1 1 A 44 44 LEU H H 44 8.810 8.891 -0.081 1
1 524 . 5 1 1 A 44 44 LEU HA H 44 4.656 4.727 -0.071 1
1 534 . 5 1 1 A 44 44 LEU C C 44 177.620 176.792 0.828 1
1 535 . 5 1 1 A 44 44 LEU CA C 44 53.750 53.184 0.566 1
1 536 . 5 1 1 A 44 44 LEU CB C 44 44.080 43.890 0.190 1
1 540 . 5 1 1 A 44 44 LEU N N 44 129.200 129.059 0.141 1
1 541 . 5 1 1 A 45 45 GLU H H 45 8.742 8.569 0.173 1
1 542 . 5 1 1 A 45 45 GLU HA H 45 4.465 4.193 0.272 1
1 547 . 5 1 1 A 45 45 GLU C C 45 177.440 177.580 -0.140 1
1 548 . 5 1 1 A 45 45 GLU CA C 45 55.270 55.942 -0.672 1
1 549 . 5 1 1 A 45 45 GLU CB C 45 29.830 30.611 -0.781 1
1 551 . 5 1 1 A 45 45 GLU N N 45 122.500 120.663 1.837 1
1 552 . 5 1 1 A 46 46 ARG H H 46 8.674 8.702 -0.028 1
1 553 . 5 1 1 A 46 46 ARG HA H 46 2.384 3.721 -1.337 1
1 560 . 5 1 1 A 46 46 ARG C C 46 179.080 177.249 1.831 1
1 561 . 5 1 1 A 46 46 ARG CA C 46 58.150 58.983 -0.833 1
1 562 . 5 1 1 A 46 46 ARG CB C 46 29.050 29.830 -0.780 1
1 565 . 5 1 1 A 46 46 ARG N N 46 124.600 123.814 0.786 1
1 566 . 5 1 1 A 47 47 GLU H H 47 9.010 7.739 1.271 1
1 567 . 5 1 1 A 47 47 GLU HA H 47 4.008 4.056 -0.048 1
1 572 . 5 1 1 A 47 47 GLU C C 47 176.700 178.653 -1.953 1
1 573 . 5 1 1 A 47 47 GLU CA C 47 58.720 58.907 -0.187 1
1 574 . 5 1 1 A 47 47 GLU CB C 47 28.590 29.303 -0.713 1
1 576 . 5 1 1 A 47 47 GLU N N 47 117.300 118.947 -1.647 1
1 577 . 5 1 1 A 48 48 ALA H H 48 8.011 7.876 0.135 1
1 578 . 5 1 1 A 48 48 ALA HA H 48 4.749 4.058 0.691 1
1 582 . 5 1 1 A 48 48 ALA C C 48 180.070 179.583 0.487 1
1 583 . 5 1 1 A 48 48 ALA CA C 48 51.780 54.634 -2.854 1
1 584 . 5 1 1 A 48 48 ALA CB C 48 19.390 18.305 1.085 1
1 585 . 5 1 1 A 48 48 ALA N N 48 120.200 121.693 -1.493 1
1 586 . 5 1 1 A 49 49 PHE H H 49 8.002 7.131 0.871 1
1 587 . 5 1 1 A 49 49 PHE HA H 49 4.305 4.374 -0.069 1
1 594 . 5 1 1 A 49 49 PHE C C 49 177.710 177.738 -0.028 1
1 595 . 5 1 1 A 49 49 PHE CA C 49 59.969 61.492 -1.523 1
1 596 . 5 1 1 A 49 49 PHE CB C 49 36.820 38.348 -1.528 1
1 601 . 5 1 1 A 49 49 PHE N N 49 123.801 116.093 7.708 1
1 602 . 5 1 1 A 50 50 ASP H H 50 8.558 8.478 0.080 1
1 603 . 5 1 1 A 50 50 ASP HA H 50 4.561 4.412 0.149 1
1 606 . 5 1 1 A 50 50 ASP C C 50 176.610 177.747 -1.137 1
1 607 . 5 1 1 A 50 50 ASP CA C 50 56.100 57.193 -1.093 1
1 608 . 5 1 1 A 50 50 ASP CB C 50 40.350 40.710 -0.360 1
1 609 . 5 1 1 A 50 50 ASP N N 50 115.500 120.023 -4.523 1
1 610 . 5 1 1 A 51 51 ALA H H 51 7.539 7.151 0.388 1
1 611 . 5 1 1 A 51 51 ALA HA H 51 4.498 4.298 0.200 1
1 615 . 5 1 1 A 51 51 ALA C C 51 177.370 176.552 0.818 1
1 616 . 5 1 1 A 51 51 ALA CA C 51 51.850 52.937 -1.087 1
1 617 . 5 1 1 A 51 51 ALA CB C 51 20.280 19.439 0.841 1
1 618 . 5 1 1 A 51 51 ALA N N 51 119.500 119.561 -0.061 1
1 619 . 5 1 1 A 52 52 THR H H 52 7.503 7.566 -0.063 1
1 620 . 5 1 1 A 52 52 THR HA H 52 4.376 4.791 -0.415 1
1 625 . 5 1 1 A 52 52 THR C C 52 172.780 173.616 -0.836 1
1 626 . 5 1 1 A 52 52 THR CA C 52 63.450 61.777 1.673 1
1 627 . 5 1 1 A 52 52 THR CB C 52 69.910 70.101 -0.191 1
1 629 . 5 1 1 A 52 52 THR N N 52 117.700 113.364 4.336 1
1 630 . 5 1 1 A 53 53 THR H H 53 8.354 8.971 -0.617 1
1 631 . 5 1 1 A 53 53 THR HA H 53 4.521 4.860 -0.339 1
1 636 . 5 1 1 A 53 53 THR C C 53 173.000 174.205 -1.205 1
1 637 . 5 1 1 A 53 53 THR CA C 53 62.110 61.835 0.275 1
1 638 . 5 1 1 A 53 53 THR CB C 53 70.380 69.613 0.767 1
1 640 . 5 1 1 A 53 53 THR N N 53 120.700 123.531 -2.831 1
1 641 . 5 1 1 A 54 54 VAL H H 54 9.223 9.395 -0.172 1
1 642 . 5 1 1 A 54 54 VAL HA H 54 4.256 4.671 -0.415 1
1 650 . 5 1 1 A 54 54 VAL C C 54 173.500 174.655 -1.155 1
1 651 . 5 1 1 A 54 54 VAL CA C 54 61.330 61.128 0.202 1
1 652 . 5 1 1 A 54 54 VAL CB C 54 33.090 33.543 -0.453 1
1 655 . 5 1 1 A 54 54 VAL N N 54 126.200 128.030 -1.830 1
1 656 . 5 1 1 A 55 55 LYS H H 55 9.074 8.975 0.099 1
1 657 . 5 1 1 A 55 55 LYS HA H 55 4.847 5.142 -0.295 1
1 666 . 5 1 1 A 55 55 LYS C C 55 174.610 174.062 0.548 1
1 667 . 5 1 1 A 55 55 LYS CA C 55 54.265 54.055 0.210 1
1 668 . 5 1 1 A 55 55 LYS CB C 55 36.111 35.429 0.682 1
1 672 . 5 1 1 A 55 55 LYS N N 55 124.700 122.479 2.221 1
1 673 . 5 1 1 A 56 56 ASP H H 56 8.111 8.561 -0.450 1
1 674 . 5 1 1 A 56 56 ASP HA H 56 4.553 4.316 0.237 1
1 677 . 5 1 1 A 56 56 ASP C C 56 177.720 177.092 0.628 1
1 678 . 5 1 1 A 56 56 ASP CA C 56 56.040 55.917 0.123 1
1 679 . 5 1 1 A 56 56 ASP CB C 56 43.070 40.336 2.734 1
1 680 . 5 1 1 A 56 56 ASP N N 56 116.700 122.173 -5.473 1
1 681 . 5 1 1 A 57 57 GLY H H 57 9.330 8.752 0.578 1
1 682 . 5 1 1 A 57 57 GLY HA2 H 57 4.343 3.953 0.390 1
1 683 . 5 1 1 A 57 57 GLY HA3 H 57 3.652 3.953 -0.301 1
1 684 . 5 1 1 A 57 57 GLY C C 57 175.140 173.337 1.803 1
1 685 . 5 1 1 A 57 57 GLY CA C 57 44.869 46.485 -1.616 1
1 686 . 5 1 1 A 57 57 GLY N N 57 113.900 113.795 0.105 1
1 687 . 5 1 1 A 58 58 ASP H H 58 8.104 7.358 0.746 1
1 688 . 5 1 1 A 58 58 ASP HA H 58 4.808 5.183 -0.375 1
1 691 . 5 1 1 A 58 58 ASP C C 58 174.100 174.602 -0.502 1
1 692 . 5 1 1 A 58 58 ASP CA C 58 55.700 53.082 2.618 1
1 693 . 5 1 1 A 58 58 ASP CB C 58 42.080 45.042 -2.962 1
1 694 . 5 1 1 A 58 58 ASP N N 58 122.600 119.220 3.380 1
1 695 . 5 1 1 A 59 59 ALA H H 59 8.326 8.783 -0.457 1
1 696 . 5 1 1 A 59 59 ALA HA H 59 5.208 4.797 0.411 1
1 700 . 5 1 1 A 59 59 ALA C C 59 174.350 176.615 -2.265 1
1 701 . 5 1 1 A 59 59 ALA CA C 59 50.110 50.760 -0.650 1
1 702 . 5 1 1 A 59 59 ALA CB C 59 20.760 19.604 1.156 1
1 703 . 5 1 1 A 59 59 ALA N N 59 121.100 124.885 -3.785 1
1 704 . 5 1 1 A 60 60 VAL H H 60 9.061 8.125 0.936 1
1 705 . 5 1 1 A 60 60 VAL HA H 60 4.117 4.440 -0.323 1
1 713 . 5 1 1 A 60 60 VAL C C 60 174.300 175.304 -1.004 1
1 714 . 5 1 1 A 60 60 VAL CA C 60 61.830 61.545 0.285 1
1 715 . 5 1 1 A 60 60 VAL CB C 60 33.640 32.118 1.522 1
1 718 . 5 1 1 A 60 60 VAL N N 60 121.800 119.211 2.589 1
1 719 . 5 1 1 A 61 61 GLU H H 61 9.027 8.505 0.522 1
1 720 . 5 1 1 A 61 61 GLU HA H 61 4.778 4.699 0.079 1
1 725 . 5 1 1 A 61 61 GLU C C 61 176.200 175.106 1.094 1
1 726 . 5 1 1 A 61 61 GLU CA C 61 54.152 56.105 -1.953 1
1 727 . 5 1 1 A 61 61 GLU CB C 61 32.477 29.424 3.053 1
1 729 . 5 1 1 A 61 61 GLU N N 61 123.900 127.631 -3.731 1
1 730 . 5 1 1 A 62 62 PHE H H 62 9.075 8.757 0.318 1
1 731 . 5 1 1 A 62 62 PHE HA H 62 5.317 4.805 0.512 1
1 739 . 5 1 1 A 62 62 PHE C C 62 174.490 174.460 0.030 1
1 740 . 5 1 1 A 62 62 PHE CA C 62 54.910 56.452 -1.542 1
1 741 . 5 1 1 A 62 62 PHE CB C 62 39.640 39.078 0.562 1
1 747 . 5 1 1 A 62 62 PHE N N 62 122.000 127.110 -5.110 1
1 748 . 5 1 1 A 63 63 LEU H H 63 8.996 8.257 0.739 1
1 749 . 5 1 1 A 63 63 LEU HA H 63 4.643 4.434 0.209 1
1 759 . 5 1 1 A 63 63 LEU C C 63 175.030 178.133 -3.103 1
1 760 . 5 1 1 A 63 63 LEU CA C 63 53.630 55.846 -2.216 1
1 761 . 5 1 1 A 63 63 LEU CB C 63 44.680 41.970 2.710 1
1 765 . 5 1 1 A 63 63 LEU N N 63 125.000 128.487 -3.487 1
1 766 . 5 1 1 A 64 64 TYR H H 64 8.669 8.489 0.180 1
1 767 . 5 1 1 A 64 64 TYR HA H 64 4.758 4.839 -0.081 1
1 774 . 5 1 1 A 64 64 TYR C C 64 175.630 176.842 -1.212 1
1 775 . 5 1 1 A 64 64 TYR CA C 64 57.460 58.279 -0.819 1
1 776 . 5 1 1 A 64 64 TYR CB C 64 39.690 38.981 0.709 1
1 781 . 5 1 1 A 64 64 TYR N N 64 120.100 122.640 -2.540 1
1 782 . 5 1 1 A 65 65 PHE H H 65 8.688 8.416 0.272 1
1 783 . 5 1 1 A 65 65 PHE HA H 65 4.777 4.199 0.578 1
1 791 . 5 1 1 A 65 65 PHE C C 65 175.940 176.985 -1.045 1
1 792 . 5 1 1 A 65 65 PHE CA C 65 57.325 59.969 -2.644 1
1 793 . 5 1 1 A 65 65 PHE CB C 65 39.340 37.437 1.903 1
1 799 . 5 1 1 A 65 65 PHE N N 65 122.100 120.532 1.568 1
1 800 . 5 1 1 A 66 66 MET H H 66 8.611 7.302 1.309 1
1 801 . 5 1 1 A 66 66 MET HA H 66 4.537 3.966 0.571 1
1 806 . 5 1 1 A 66 66 MET C C 66 176.630 176.373 0.257 1
1 807 . 5 1 1 A 66 66 MET CA C 66 55.370 56.358 -0.988 1
1 808 . 5 1 1 A 66 66 MET CB C 66 32.710 32.543 0.167 1
1 810 . 5 1 1 A 66 66 MET N N 66 121.700 118.125 3.575 1
1 811 . 5 1 1 A 67 67 GLY H H 67 8.213 8.278 -0.065 1
1 812 . 5 1 1 A 67 67 GLY HA2 H 67 3.928 4.045 -0.117 1
1 813 . 5 1 1 A 67 67 GLY HA3 H 67 3.928 4.105 -0.177 1
1 814 . 5 1 1 A 67 67 GLY C C 67 174.800 174.335 0.465 1
1 815 . 5 1 1 A 67 67 GLY CA C 67 45.359 46.115 -0.756 1
1 816 . 5 1 1 A 67 67 GLY N N 67 109.600 106.129 3.471 1
1 817 . 5 1 1 A 68 68 GLY H H 68 8.353 7.670 0.683 1
1 818 . 5 1 1 A 68 68 GLY HA2 H 68 4.862 4.392 0.470 1
1 819 . 5 1 1 A 68 68 GLY HA3 H 68 4.861 4.421 0.440 1
1 820 . 5 1 1 A 68 68 GLY C C 68 174.760 174.099 0.661 1
1 821 . 5 1 1 A 68 68 GLY CA C 68 45.402 45.230 0.172 1
1 822 . 5 1 1 A 68 68 GLY N N 68 108.600 107.325 1.275 1
1 823 . 5 1 1 A 69 69 GLY H H 69 8.406 8.731 -0.325 1
1 824 . 5 1 1 A 69 69 GLY HA2 H 69 3.953 3.824 0.129 1
1 825 . 5 1 1 A 69 69 GLY HA3 H 69 3.953 3.900 0.053 1
1 826 . 5 1 1 A 69 69 GLY C C 69 174.070 174.612 -0.542 1
1 827 . 5 1 1 A 69 69 GLY CA C 69 45.242 44.878 0.364 1
1 828 . 5 1 1 A 69 69 GLY N N 69 109.100 110.475 -1.375 1
1 829 . 5 1 1 A 70 70 LYS H H 70 8.153 7.844 0.309 1
1 830 . 5 1 1 A 70 70 LYS HA H 70 4.255 4.277 -0.022 1
1 839 . 5 1 1 A 70 70 LYS C C 70 176.490 175.210 1.280 1
1 840 . 5 1 1 A 70 70 LYS CA C 70 56.370 56.057 0.313 1
1 841 . 5 1 1 A 70 70 LYS CB C 70 33.130 32.415 0.715 1
1 845 . 5 1 1 A 70 70 LYS N N 70 120.500 122.634 -2.134 1
1 846 . 5 1 1 A 71 71 LEU H H 71 8.253 8.057 0.196 1
1 847 . 5 1 1 A 71 71 LEU HA H 71 4.285 4.970 -0.685 1
1 857 . 5 1 1 A 71 71 LEU C C 71 177.110 175.517 1.593 1
1 858 . 5 1 1 A 71 71 LEU CA C 71 55.120 53.719 1.401 1
1 859 . 5 1 1 A 71 71 LEU CB C 71 42.236 43.975 -1.739 1
1 863 . 5 1 1 A 71 71 LEU N N 71 122.905 128.678 -5.773 1
1 864 . 5 1 1 A 72 72 GLU H H 72 8.343 8.722 -0.379 1
1 865 . 5 1 1 A 72 72 GLU HA H 72 4.238 4.756 -0.518 1
1 870 . 5 1 1 A 72 72 GLU C C 72 176.100 175.791 0.309 1
1 871 . 5 1 1 A 72 72 GLU CA C 72 56.760 54.289 2.471 1
1 872 . 5 1 1 A 72 72 GLU CB C 72 30.619 33.152 -2.533 1
1 874 . 5 1 1 A 72 72 GLU N N 72 121.500 122.981 -1.481 1
1 875 . 5 1 1 A 73 73 HIS H H 73 8.404 8.335 0.069 1
1 876 . 5 1 1 A 73 73 HIS HA H 73 4.593 4.573 0.020 1
1 879 . 5 1 1 A 73 73 HIS C C 73 173.840 174.803 -0.963 1
1 880 . 5 1 1 A 73 73 HIS CA C 73 55.777 56.120 -0.343 1
1 881 . 5 1 1 A 73 73 HIS CB C 73 30.080 30.305 -0.225 1
1 882 . 5 1 1 A 73 73 HIS N N 73 119.733 119.492 0.241 1
1 883 . 5 1 1 A 74 74 HIS H H 74 8.213 8.750 -0.537 1
1 884 . 5 1 1 A 74 74 HIS CA C 74 57.175 55.467 1.708 1
1 885 . 5 1 1 A 74 74 HIS CB C 74 30.671 29.485 1.186 1
1 9 . 6 1 1 A 2 2 ASN H H 2 9.645 8.760 0.885 1
1 10 . 6 1 1 A 2 2 ASN HA H 2 5.430 5.145 0.285 1
1 15 . 6 1 1 A 2 2 ASN CA C 2 52.761 53.497 -0.736 1
1 16 . 6 1 1 A 2 2 ASN CB C 2 40.140 38.848 1.292 1
1 17 . 6 1 1 A 2 2 ASN N N 2 125.300 121.405 3.895 1
1 19 . 6 1 1 A 3 3 LEU H H 3 8.769 8.820 -0.051 1
1 20 . 6 1 1 A 3 3 LEU HA H 3 4.949 5.345 -0.396 1
1 30 . 6 1 1 A 3 3 LEU C C 3 176.320 175.670 0.650 1
1 31 . 6 1 1 A 3 3 LEU CA C 3 54.223 53.580 0.643 1
1 32 . 6 1 1 A 3 3 LEU CB C 3 45.941 46.040 -0.099 1
1 36 . 6 1 1 A 3 3 LEU N N 3 121.800 124.329 -2.529 1
1 37 . 6 1 1 A 4 4 THR H H 4 8.329 8.507 -0.178 1
1 38 . 6 1 1 A 4 4 THR HA H 4 4.744 5.152 -0.408 1
1 43 . 6 1 1 A 4 4 THR C C 4 173.650 173.282 0.368 1
1 44 . 6 1 1 A 4 4 THR CA C 4 62.150 61.774 0.376 1
1 45 . 6 1 1 A 4 4 THR CB C 4 69.430 70.269 -0.839 1
1 47 . 6 1 1 A 4 4 THR N N 4 116.200 117.860 -1.660 1
1 48 . 6 1 1 A 5 5 VAL H H 5 8.955 8.736 0.219 1
1 49 . 6 1 1 A 5 5 VAL HA H 5 4.683 4.672 0.011 1
1 57 . 6 1 1 A 5 5 VAL C C 5 176.470 175.106 1.364 1
1 58 . 6 1 1 A 5 5 VAL CA C 5 60.724 59.512 1.212 1
1 59 . 6 1 1 A 5 5 VAL CB C 5 33.590 34.600 -1.010 1
1 62 . 6 1 1 A 5 5 VAL N N 5 126.000 124.608 1.392 1
1 63 . 6 1 1 A 6 6 ASN H H 6 9.534 9.492 0.042 1
1 64 . 6 1 1 A 6 6 ASN HA H 6 4.636 4.458 0.178 1
1 69 . 6 1 1 A 6 6 ASN C C 6 175.900 175.584 0.316 1
1 70 . 6 1 1 A 6 6 ASN CA C 6 54.150 54.547 -0.397 1
1 71 . 6 1 1 A 6 6 ASN CB C 6 36.410 37.069 -0.659 1
1 72 . 6 1 1 A 6 6 ASN N N 6 129.400 128.639 0.761 1
1 74 . 6 1 1 A 7 7 GLY H H 7 8.915 8.728 0.187 1
1 75 . 6 1 1 A 7 7 GLY HA2 H 7 4.170 3.888 0.282 1
1 76 . 6 1 1 A 7 7 GLY HA3 H 7 3.485 3.890 -0.405 1
1 77 . 6 1 1 A 7 7 GLY C C 7 173.950 173.874 0.076 1
1 78 . 6 1 1 A 7 7 GLY CA C 7 45.337 45.562 -0.225 1
1 79 . 6 1 1 A 7 7 GLY N N 7 102.200 104.851 -2.651 1
1 80 . 6 1 1 A 8 8 LYS H H 8 7.900 8.034 -0.134 1
1 81 . 6 1 1 A 8 8 LYS HA H 8 4.987 4.543 0.444 1
1 90 . 6 1 1 A 8 8 LYS CA C 8 52.940 52.785 0.155 1
1 91 . 6 1 1 A 8 8 LYS CB C 8 34.010 33.075 0.935 1
1 95 . 6 1 1 A 8 8 LYS N N 8 121.700 121.443 0.257 1
1 96 . 6 1 1 A 9 9 PRO HA H 9 4.700 4.658 0.042 1
1 103 . 6 1 1 A 9 9 PRO C C 9 176.900 175.283 1.617 1
1 104 . 6 1 1 A 9 9 PRO CA C 9 63.990 63.053 0.937 1
1 105 . 6 1 1 A 9 9 PRO CB C 9 32.000 31.781 0.219 1
1 108 . 6 1 1 A 10 10 SER H H 10 8.970 8.864 0.106 1
1 109 . 6 1 1 A 10 10 SER HA H 10 4.822 4.924 -0.102 1
1 112 . 6 1 1 A 10 10 SER C C 10 172.800 172.016 0.784 1
1 113 . 6 1 1 A 10 10 SER CA C 10 57.880 56.224 1.656 1
1 114 . 6 1 1 A 10 10 SER CB C 10 66.361 65.058 1.303 1
1 115 . 6 1 1 A 10 10 SER N N 10 120.300 118.061 2.239 1
1 116 . 6 1 1 A 11 11 THR H H 11 8.590 8.699 -0.109 1
1 117 . 6 1 1 A 11 11 THR HA H 11 5.163 4.912 0.251 1
1 122 . 6 1 1 A 11 11 THR C C 11 173.720 172.296 1.424 1
1 123 . 6 1 1 A 11 11 THR CA C 11 61.380 61.544 -0.164 1
1 124 . 6 1 1 A 11 11 THR CB C 11 71.950 71.734 0.216 1
1 126 . 6 1 1 A 11 11 THR N N 11 120.191 116.395 3.796 1
1 127 . 6 1 1 A 12 12 VAL H H 12 8.563 8.887 -0.324 1
1 128 . 6 1 1 A 12 12 VAL HA H 12 4.172 4.742 -0.570 1
1 136 . 6 1 1 A 12 12 VAL C C 12 175.380 174.001 1.379 1
1 137 . 6 1 1 A 12 12 VAL CA C 12 61.350 61.071 0.279 1
1 138 . 6 1 1 A 12 12 VAL CB C 12 33.053 32.785 0.268 1
1 141 . 6 1 1 A 12 12 VAL N N 12 125.000 124.577 0.423 1
1 142 . 6 1 1 A 13 13 ASP H H 13 8.878 8.775 0.103 1
1 143 . 6 1 1 A 13 13 ASP HA H 13 4.501 4.497 0.004 1
1 146 . 6 1 1 A 13 13 ASP C C 13 177.180 177.126 0.054 1
1 147 . 6 1 1 A 13 13 ASP CA C 13 55.120 55.152 -0.032 1
1 148 . 6 1 1 A 13 13 ASP CB C 13 41.450 41.038 0.412 1
1 149 . 6 1 1 A 13 13 ASP N N 13 128.300 128.373 -0.073 1
1 150 . 6 1 1 A 14 14 GLY H H 14 8.697 8.921 -0.224 1
1 151 . 6 1 1 A 14 14 GLY HA2 H 14 4.076 3.958 0.118 1
1 152 . 6 1 1 A 14 14 GLY HA3 H 14 3.719 3.959 -0.240 1
1 153 . 6 1 1 A 14 14 GLY C C 14 173.244 174.110 -0.866 1
1 154 . 6 1 1 A 14 14 GLY CA C 14 45.887 45.183 0.704 1
1 155 . 6 1 1 A 14 14 GLY N N 14 109.900 113.943 -4.043 1
1 156 . 6 1 1 A 15 15 ALA H H 15 7.360 7.884 -0.524 1
1 157 . 6 1 1 A 15 15 ALA HA H 15 4.601 4.413 0.188 1
1 161 . 6 1 1 A 15 15 ALA C C 15 176.240 177.030 -0.790 1
1 162 . 6 1 1 A 15 15 ALA CA C 15 51.370 51.017 0.353 1
1 163 . 6 1 1 A 15 15 ALA CB C 15 20.970 18.825 2.145 1
1 164 . 6 1 1 A 15 15 ALA N N 15 121.213 123.460 -2.247 1
1 165 . 6 1 1 A 16 16 GLU H H 16 8.967 8.536 0.431 1
1 166 . 6 1 1 A 16 16 GLU HA H 16 4.406 4.352 0.054 1
1 171 . 6 1 1 A 16 16 GLU C C 16 175.800 176.037 -0.237 1
1 172 . 6 1 1 A 16 16 GLU CA C 16 57.170 56.230 0.940 1
1 173 . 6 1 1 A 16 16 GLU CB C 16 30.700 28.521 2.179 1
1 175 . 6 1 1 A 16 16 GLU N N 16 120.800 124.646 -3.846 1
1 176 . 6 1 1 A 17 17 SER H H 17 7.587 8.307 -0.720 1
1 177 . 6 1 1 A 17 17 SER HA H 17 4.891 4.037 0.854 1
1 180 . 6 1 1 A 17 17 SER C C 17 172.400 173.762 -1.362 1
1 181 . 6 1 1 A 17 17 SER CA C 17 57.797 58.634 -0.837 1
1 182 . 6 1 1 A 17 17 SER CB C 17 64.571 61.852 2.719 1
1 183 . 6 1 1 A 17 17 SER N N 17 111.600 111.804 -0.204 1
1 184 . 6 1 1 A 18 18 LEU H H 18 8.285 7.952 0.333 1
1 185 . 6 1 1 A 18 18 LEU HA H 18 4.810 4.601 0.209 1
1 195 . 6 1 1 A 18 18 LEU C C 18 175.800 176.677 -0.877 1
1 196 . 6 1 1 A 18 18 LEU CA C 18 54.230 53.945 0.285 1
1 197 . 6 1 1 A 18 18 LEU CB C 18 47.430 43.025 4.405 1
1 201 . 6 1 1 A 18 18 LEU N N 18 122.165 121.568 0.597 1
1 202 . 6 1 1 A 19 19 ASN H H 19 8.920 8.911 0.009 1
1 203 . 6 1 1 A 19 19 ASN HA H 19 5.768 5.019 0.749 1
1 208 . 6 1 1 A 19 19 ASN C C 19 176.170 177.023 -0.853 1
1 209 . 6 1 1 A 19 19 ASN CA C 19 51.650 53.407 -1.757 1
1 210 . 6 1 1 A 19 19 ASN CB C 19 38.430 39.754 -1.324 1
1 211 . 6 1 1 A 19 19 ASN N N 19 118.700 120.060 -1.360 1
1 213 . 6 1 1 A 20 20 VAL H H 20 7.805 8.857 -1.052 1
1 214 . 6 1 1 A 20 20 VAL HA H 20 3.297 3.612 -0.315 1
1 222 . 6 1 1 A 20 20 VAL C C 20 176.770 177.295 -0.525 1
1 223 . 6 1 1 A 20 20 VAL CA C 20 67.360 66.203 1.157 1
1 224 . 6 1 1 A 20 20 VAL CB C 20 30.940 31.460 -0.520 1
1 227 . 6 1 1 A 20 20 VAL N N 20 117.900 122.732 -4.832 1
1 228 . 6 1 1 A 21 21 THR H H 21 7.230 8.277 -1.047 1
1 229 . 6 1 1 A 21 21 THR HA H 21 3.665 3.871 -0.206 1
1 234 . 6 1 1 A 21 21 THR C C 21 177.360 176.335 1.025 1
1 235 . 6 1 1 A 21 21 THR CA C 21 67.077 67.391 -0.314 1
1 236 . 6 1 1 A 21 21 THR CB C 21 68.460 68.464 -0.004 1
1 238 . 6 1 1 A 21 21 THR N N 21 117.400 116.871 0.529 1
1 239 . 6 1 1 A 22 22 GLU H H 22 8.750 7.907 0.843 1
1 240 . 6 1 1 A 22 22 GLU HA H 22 4.046 4.119 -0.073 1
1 245 . 6 1 1 A 22 22 GLU C C 22 179.910 179.189 0.721 1
1 246 . 6 1 1 A 22 22 GLU CA C 22 58.550 59.128 -0.578 1
1 247 . 6 1 1 A 22 22 GLU CB C 22 30.550 30.031 0.519 1
1 249 . 6 1 1 A 22 22 GLU N N 22 121.238 120.391 0.847 1
1 250 . 6 1 1 A 23 23 LEU H H 23 8.766 8.279 0.487 1
1 251 . 6 1 1 A 23 23 LEU HA H 23 3.935 4.112 -0.177 1
1 261 . 6 1 1 A 23 23 LEU C C 23 177.800 178.191 -0.391 1
1 262 . 6 1 1 A 23 23 LEU CA C 23 58.240 57.813 0.427 1
1 263 . 6 1 1 A 23 23 LEU CB C 23 41.844 41.554 0.290 1
1 267 . 6 1 1 A 23 23 LEU N N 23 123.900 121.959 1.941 1
1 268 . 6 1 1 A 24 24 LEU H H 24 8.305 8.265 0.040 1
1 269 . 6 1 1 A 24 24 LEU HA H 24 3.690 4.025 -0.335 1
1 279 . 6 1 1 A 24 24 LEU C C 24 179.620 178.595 1.025 1
1 280 . 6 1 1 A 24 24 LEU CA C 24 58.010 58.036 -0.026 1
1 281 . 6 1 1 A 24 24 LEU CB C 24 41.320 41.719 -0.399 1
1 285 . 6 1 1 A 24 24 LEU N N 24 117.100 120.477 -3.377 1
1 286 . 6 1 1 A 25 25 SER H H 25 7.226 7.968 -0.742 1
1 287 . 6 1 1 A 25 25 SER HA H 25 4.304 4.223 0.081 1
1 290 . 6 1 1 A 25 25 SER C C 25 178.100 177.102 0.998 1
1 291 . 6 1 1 A 25 25 SER CA C 25 60.900 61.296 -0.396 1
1 292 . 6 1 1 A 25 25 SER CB C 25 62.850 62.916 -0.066 1
1 293 . 6 1 1 A 25 25 SER N N 25 111.500 114.656 -3.156 1
1 294 . 6 1 1 A 26 26 ALA H H 26 8.712 8.141 0.571 1
1 295 . 6 1 1 A 26 26 ALA HA H 26 4.138 4.171 -0.033 1
1 299 . 6 1 1 A 26 26 ALA C C 26 180.000 179.294 0.706 1
1 300 . 6 1 1 A 26 26 ALA CA C 26 55.180 54.846 0.334 1
1 301 . 6 1 1 A 26 26 ALA CB C 26 18.200 18.425 -0.225 1
1 302 . 6 1 1 A 26 26 ALA N N 26 126.100 123.600 2.500 1
1 303 . 6 1 1 A 27 27 LEU H H 27 8.050 7.578 0.472 1
1 304 . 6 1 1 A 27 27 LEU HA H 27 4.314 4.225 0.089 1
1 314 . 6 1 1 A 27 27 LEU C C 27 175.810 176.699 -0.889 1
1 315 . 6 1 1 A 27 27 LEU CA C 27 54.307 55.048 -0.741 1
1 316 . 6 1 1 A 27 27 LEU CB C 27 42.021 42.554 -0.533 1
1 320 . 6 1 1 A 27 27 LEU N N 27 114.250 115.838 -1.588 1
1 321 . 6 1 1 A 28 28 LYS H H 28 7.766 8.152 -0.386 1
1 322 . 6 1 1 A 28 28 LYS HA H 28 3.869 3.976 -0.107 1
1 331 . 6 1 1 A 28 28 LYS C C 28 176.030 175.351 0.679 1
1 332 . 6 1 1 A 28 28 LYS CA C 28 56.630 57.166 -0.536 1
1 333 . 6 1 1 A 28 28 LYS CB C 28 28.893 30.946 -2.053 1
1 337 . 6 1 1 A 28 28 LYS N N 28 117.700 119.372 -1.672 1
1 338 . 6 1 1 A 29 29 VAL H H 29 7.583 8.220 -0.637 1
1 339 . 6 1 1 A 29 29 VAL HA H 29 3.520 4.299 -0.779 1
1 347 . 6 1 1 A 29 29 VAL C C 29 176.410 176.878 -0.468 1
1 348 . 6 1 1 A 29 29 VAL CA C 29 63.741 61.098 2.643 1
1 349 . 6 1 1 A 29 29 VAL CB C 29 31.840 32.572 -0.732 1
1 352 . 6 1 1 A 29 29 VAL N N 29 119.200 122.199 -2.999 1
1 353 . 6 1 1 A 30 30 ALA H H 30 8.543 8.565 -0.022 1
1 354 . 6 1 1 A 30 30 ALA HA H 30 4.215 4.237 -0.022 1
1 358 . 6 1 1 A 30 30 ALA C C 30 177.710 177.390 0.320 1
1 359 . 6 1 1 A 30 30 ALA CA C 30 52.330 55.312 -2.982 1
1 360 . 6 1 1 A 30 30 ALA CB C 30 19.170 18.692 0.478 1
1 361 . 6 1 1 A 30 30 ALA N N 30 131.100 126.073 5.027 1
1 362 . 6 1 1 A 31 31 GLN H H 31 8.982 8.077 0.905 1
1 363 . 6 1 1 A 31 31 GLN HA H 31 4.162 4.820 -0.658 1
1 370 . 6 1 1 A 31 31 GLN C C 31 176.670 175.234 1.436 1
1 371 . 6 1 1 A 31 31 GLN CA C 31 56.100 55.083 1.017 1
1 372 . 6 1 1 A 31 31 GLN CB C 31 27.390 31.065 -3.675 1
1 374 . 6 1 1 A 31 31 GLN N N 31 117.300 117.435 -0.135 1
1 376 . 6 1 1 A 32 32 ALA H H 32 8.029 8.616 -0.587 1
1 377 . 6 1 1 A 32 32 ALA HA H 32 3.738 4.401 -0.663 1
1 381 . 6 1 1 A 32 32 ALA C C 32 178.700 179.459 -0.759 1
1 382 . 6 1 1 A 32 32 ALA CA C 32 55.010 53.812 1.198 1
1 383 . 6 1 1 A 32 32 ALA CB C 32 18.647 20.018 -1.371 1
1 384 . 6 1 1 A 32 32 ALA N N 32 119.900 125.964 -6.064 1
1 385 . 6 1 1 A 33 33 GLU H H 33 9.338 8.440 0.898 1
1 386 . 6 1 1 A 33 33 GLU HA H 33 4.037 4.160 -0.123 1
1 391 . 6 1 1 A 33 33 GLU C C 33 176.370 176.551 -0.181 1
1 392 . 6 1 1 A 33 33 GLU CA C 33 58.280 58.264 0.016 1
1 393 . 6 1 1 A 33 33 GLU CB C 33 28.670 28.088 0.582 1
1 395 . 6 1 1 A 33 33 GLU N N 33 116.800 116.822 -0.022 1
1 396 . 6 1 1 A 34 34 TYR H H 34 8.063 8.216 -0.153 1
1 397 . 6 1 1 A 34 34 TYR HA H 34 4.820 4.822 -0.002 1
1 404 . 6 1 1 A 34 34 TYR C C 34 175.460 175.876 -0.416 1
1 405 . 6 1 1 A 34 34 TYR CA C 34 56.800 57.262 -0.462 1
1 406 . 6 1 1 A 34 34 TYR CB C 34 39.810 38.439 1.371 1
1 411 . 6 1 1 A 34 34 TYR N N 34 116.100 118.515 -2.415 1
1 412 . 6 1 1 A 35 35 VAL H H 35 7.330 7.446 -0.116 1
1 413 . 6 1 1 A 35 35 VAL HA H 35 4.689 3.780 0.909 1
1 421 . 6 1 1 A 35 35 VAL C C 35 173.700 175.012 -1.312 1
1 422 . 6 1 1 A 35 35 VAL CA C 35 61.550 62.687 -1.137 1
1 423 . 6 1 1 A 35 35 VAL CB C 35 33.650 32.189 1.461 1
1 426 . 6 1 1 A 35 35 VAL N N 35 121.200 121.081 0.119 1
1 427 . 6 1 1 A 36 36 THR H H 36 8.879 7.096 1.783 1
1 428 . 6 1 1 A 36 36 THR HA H 36 4.696 4.789 -0.093 1
1 433 . 6 1 1 A 36 36 THR C C 36 172.930 173.611 -0.681 1
1 434 . 6 1 1 A 36 36 THR CA C 36 62.300 61.413 0.887 1
1 435 . 6 1 1 A 36 36 THR CB C 36 70.500 69.466 1.034 1
1 437 . 6 1 1 A 36 36 THR N N 36 126.800 122.218 4.582 1
1 438 . 6 1 1 A 37 37 VAL H H 37 9.616 8.991 0.625 1
1 439 . 6 1 1 A 37 37 VAL HA H 37 5.072 5.064 0.008 1
1 447 . 6 1 1 A 37 37 VAL C C 37 174.820 174.041 0.779 1
1 448 . 6 1 1 A 37 37 VAL CA C 37 59.440 58.505 0.935 1
1 449 . 6 1 1 A 37 37 VAL CB C 37 35.270 35.776 -0.506 1
1 452 . 6 1 1 A 37 37 VAL N N 37 127.600 118.896 8.704 1
1 453 . 6 1 1 A 38 38 GLU H H 38 8.934 8.688 0.246 1
1 454 . 6 1 1 A 38 38 GLU HA H 38 5.059 5.134 -0.075 1
1 459 . 6 1 1 A 38 38 GLU C C 38 174.850 174.472 0.378 1
1 460 . 6 1 1 A 38 38 GLU CA C 38 53.989 54.267 -0.278 1
1 461 . 6 1 1 A 38 38 GLU CB C 38 32.599 34.114 -1.515 1
1 463 . 6 1 1 A 38 38 GLU N N 38 126.700 120.455 6.245 1
1 464 . 6 1 1 A 39 39 LEU H H 39 9.004 8.406 0.598 1
1 465 . 6 1 1 A 39 39 LEU HA H 39 5.082 4.778 0.304 1
1 474 . 6 1 1 A 39 39 LEU C C 39 175.890 175.564 0.326 1
1 475 . 6 1 1 A 39 39 LEU CA C 39 53.030 53.214 -0.184 1
1 476 . 6 1 1 A 39 39 LEU CB C 39 45.640 44.892 0.748 1
1 479 . 6 1 1 A 39 39 LEU N N 39 128.700 117.440 11.260 1
1 480 . 6 1 1 A 40 40 ASN H H 40 10.210 9.361 0.849 1
1 481 . 6 1 1 A 40 40 ASN HA H 40 4.495 4.456 0.039 1
1 486 . 6 1 1 A 40 40 ASN C C 40 175.620 175.636 -0.016 1
1 487 . 6 1 1 A 40 40 ASN CA C 40 54.540 54.427 0.113 1
1 488 . 6 1 1 A 40 40 ASN CB C 40 37.280 37.084 0.196 1
1 489 . 6 1 1 A 40 40 ASN N N 40 128.749 119.640 9.109 1
1 491 . 6 1 1 A 41 41 GLY H H 41 8.913 8.668 0.245 1
1 492 . 6 1 1 A 41 41 GLY HA2 H 41 4.162 3.948 0.214 1
1 493 . 6 1 1 A 41 41 GLY HA3 H 41 3.625 3.949 -0.324 1
1 494 . 6 1 1 A 41 41 GLY C C 41 173.380 173.542 -0.162 1
1 495 . 6 1 1 A 41 41 GLY CA C 41 45.220 46.390 -1.170 1
1 496 . 6 1 1 A 41 41 GLY N N 41 102.811 104.588 -1.777 1
1 497 . 6 1 1 A 42 42 GLU H H 42 7.716 7.763 -0.047 1
1 498 . 6 1 1 A 42 42 GLU HA H 42 4.655 4.772 -0.117 1
1 503 . 6 1 1 A 42 42 GLU C C 42 175.300 174.111 1.189 1
1 504 . 6 1 1 A 42 42 GLU CA C 42 54.190 55.810 -1.620 1
1 505 . 6 1 1 A 42 42 GLU CB C 42 31.770 33.231 -1.461 1
1 507 . 6 1 1 A 42 42 GLU N N 42 120.731 118.880 1.851 1
1 508 . 6 1 1 A 43 43 VAL H H 43 8.872 8.885 -0.013 1
1 509 . 6 1 1 A 43 43 VAL HA H 43 4.025 4.701 -0.676 1
1 517 . 6 1 1 A 43 43 VAL C C 43 176.260 174.346 1.914 1
1 518 . 6 1 1 A 43 43 VAL CA C 43 64.110 60.364 3.746 1
1 519 . 6 1 1 A 43 43 VAL CB C 43 31.500 34.023 -2.523 1
1 522 . 6 1 1 A 43 43 VAL N N 43 126.800 126.509 0.291 1
1 523 . 6 1 1 A 44 44 LEU H H 44 8.810 9.073 -0.263 1
1 524 . 6 1 1 A 44 44 LEU HA H 44 4.656 4.885 -0.229 1
1 534 . 6 1 1 A 44 44 LEU C C 44 177.620 175.277 2.343 1
1 535 . 6 1 1 A 44 44 LEU CA C 44 53.750 53.286 0.464 1
1 536 . 6 1 1 A 44 44 LEU CB C 44 44.080 44.073 0.007 1
1 540 . 6 1 1 A 44 44 LEU N N 44 129.200 129.971 -0.771 1
1 541 . 6 1 1 A 45 45 GLU H H 45 8.742 8.415 0.327 1
1 542 . 6 1 1 A 45 45 GLU HA H 45 4.465 4.136 0.329 1
1 547 . 6 1 1 A 45 45 GLU C C 45 177.440 177.218 0.222 1
1 548 . 6 1 1 A 45 45 GLU CA C 45 55.270 56.534 -1.264 1
1 549 . 6 1 1 A 45 45 GLU CB C 45 29.830 31.481 -1.651 1
1 551 . 6 1 1 A 45 45 GLU N N 45 122.500 121.331 1.169 1
1 552 . 6 1 1 A 46 46 ARG H H 46 8.674 8.547 0.127 1
1 553 . 6 1 1 A 46 46 ARG HA H 46 2.384 2.338 0.046 1
1 560 . 6 1 1 A 46 46 ARG C C 46 179.080 177.707 1.373 1
1 561 . 6 1 1 A 46 46 ARG CA C 46 58.150 59.298 -1.148 1
1 562 . 6 1 1 A 46 46 ARG CB C 46 29.050 29.744 -0.694 1
1 565 . 6 1 1 A 46 46 ARG N N 46 124.600 125.001 -0.401 1
1 566 . 6 1 1 A 47 47 GLU H H 47 9.010 8.085 0.925 1
1 567 . 6 1 1 A 47 47 GLU HA H 47 4.008 3.973 0.035 1
1 572 . 6 1 1 A 47 47 GLU C C 47 176.700 178.717 -2.017 1
1 573 . 6 1 1 A 47 47 GLU CA C 47 58.720 58.691 0.029 1
1 574 . 6 1 1 A 47 47 GLU CB C 47 28.590 28.888 -0.298 1
1 576 . 6 1 1 A 47 47 GLU N N 47 117.300 119.004 -1.704 1
1 577 . 6 1 1 A 48 48 ALA H H 48 8.011 8.005 0.006 1
1 578 . 6 1 1 A 48 48 ALA HA H 48 4.749 4.128 0.621 1
1 582 . 6 1 1 A 48 48 ALA C C 48 180.070 179.196 0.874 1
1 583 . 6 1 1 A 48 48 ALA CA C 48 51.780 54.682 -2.902 1
1 584 . 6 1 1 A 48 48 ALA CB C 48 19.390 18.368 1.022 1
1 585 . 6 1 1 A 48 48 ALA N N 48 120.200 122.458 -2.258 1
1 586 . 6 1 1 A 49 49 PHE H H 49 8.002 7.317 0.685 1
1 587 . 6 1 1 A 49 49 PHE HA H 49 4.305 4.235 0.070 1
1 594 . 6 1 1 A 49 49 PHE C C 49 177.710 177.983 -0.273 1
1 595 . 6 1 1 A 49 49 PHE CA C 49 59.969 61.442 -1.473 1
1 596 . 6 1 1 A 49 49 PHE CB C 49 36.820 38.079 -1.259 1
1 601 . 6 1 1 A 49 49 PHE N N 49 123.801 115.833 7.968 1
1 602 . 6 1 1 A 50 50 ASP H H 50 8.558 7.884 0.674 1
1 603 . 6 1 1 A 50 50 ASP HA H 50 4.561 4.406 0.155 1
1 606 . 6 1 1 A 50 50 ASP C C 50 176.610 178.188 -1.578 1
1 607 . 6 1 1 A 50 50 ASP CA C 50 56.100 57.395 -1.295 1
1 608 . 6 1 1 A 50 50 ASP CB C 50 40.350 40.521 -0.171 1
1 609 . 6 1 1 A 50 50 ASP N N 50 115.500 119.091 -3.591 1
1 610 . 6 1 1 A 51 51 ALA H H 51 7.539 7.557 -0.018 1
1 611 . 6 1 1 A 51 51 ALA HA H 51 4.498 4.289 0.209 1
1 615 . 6 1 1 A 51 51 ALA C C 51 177.370 177.438 -0.068 1
1 616 . 6 1 1 A 51 51 ALA CA C 51 51.850 53.245 -1.395 1
1 617 . 6 1 1 A 51 51 ALA CB C 51 20.280 19.483 0.797 1
1 618 . 6 1 1 A 51 51 ALA N N 51 119.500 119.767 -0.267 1
1 619 . 6 1 1 A 52 52 THR H H 52 7.503 7.894 -0.391 1
1 620 . 6 1 1 A 52 52 THR HA H 52 4.376 4.356 0.020 1
1 625 . 6 1 1 A 52 52 THR C C 52 172.780 173.738 -0.958 1
1 626 . 6 1 1 A 52 52 THR CA C 52 63.450 63.348 0.102 1
1 627 . 6 1 1 A 52 52 THR CB C 52 69.910 69.057 0.853 1
1 629 . 6 1 1 A 52 52 THR N N 52 117.700 114.381 3.319 1
1 630 . 6 1 1 A 53 53 THR H H 53 8.354 8.910 -0.556 1
1 631 . 6 1 1 A 53 53 THR HA H 53 4.521 4.749 -0.228 1
1 636 . 6 1 1 A 53 53 THR C C 53 173.000 174.462 -1.462 1
1 637 . 6 1 1 A 53 53 THR CA C 53 62.110 61.974 0.136 1
1 638 . 6 1 1 A 53 53 THR CB C 53 70.380 69.984 0.396 1
1 640 . 6 1 1 A 53 53 THR N N 53 120.700 123.252 -2.552 1
1 641 . 6 1 1 A 54 54 VAL H H 54 9.223 8.865 0.358 1
1 642 . 6 1 1 A 54 54 VAL HA H 54 4.256 4.606 -0.350 1
1 650 . 6 1 1 A 54 54 VAL C C 54 173.500 175.277 -1.777 1
1 651 . 6 1 1 A 54 54 VAL CA C 54 61.330 61.560 -0.230 1
1 652 . 6 1 1 A 54 54 VAL CB C 54 33.090 32.846 0.244 1
1 655 . 6 1 1 A 54 54 VAL N N 54 126.200 126.629 -0.429 1
1 656 . 6 1 1 A 55 55 LYS H H 55 9.074 8.990 0.084 1
1 657 . 6 1 1 A 55 55 LYS HA H 55 4.847 4.978 -0.131 1
1 666 . 6 1 1 A 55 55 LYS C C 55 174.610 174.462 0.148 1
1 667 . 6 1 1 A 55 55 LYS CA C 55 54.265 53.946 0.319 1
1 668 . 6 1 1 A 55 55 LYS CB C 55 36.111 36.007 0.104 1
1 672 . 6 1 1 A 55 55 LYS N N 55 124.700 120.836 3.864 1
1 673 . 6 1 1 A 56 56 ASP H H 56 8.111 8.625 -0.514 1
1 674 . 6 1 1 A 56 56 ASP HA H 56 4.553 4.398 0.155 1
1 677 . 6 1 1 A 56 56 ASP C C 56 177.720 177.056 0.664 1
1 678 . 6 1 1 A 56 56 ASP CA C 56 56.040 55.727 0.313 1
1 679 . 6 1 1 A 56 56 ASP CB C 56 43.070 40.565 2.505 1
1 680 . 6 1 1 A 56 56 ASP N N 56 116.700 122.582 -5.882 1
1 681 . 6 1 1 A 57 57 GLY H H 57 9.330 8.959 0.371 1
1 682 . 6 1 1 A 57 57 GLY HA2 H 57 4.343 3.945 0.398 1
1 683 . 6 1 1 A 57 57 GLY HA3 H 57 3.652 3.946 -0.294 1
1 684 . 6 1 1 A 57 57 GLY C C 57 175.140 173.214 1.926 1
1 685 . 6 1 1 A 57 57 GLY CA C 57 44.869 46.313 -1.444 1
1 686 . 6 1 1 A 57 57 GLY N N 57 113.900 113.485 0.415 1
1 687 . 6 1 1 A 58 58 ASP H H 58 8.104 7.299 0.805 1
1 688 . 6 1 1 A 58 58 ASP HA H 58 4.808 5.111 -0.303 1
1 691 . 6 1 1 A 58 58 ASP C C 58 174.100 174.103 -0.003 1
1 692 . 6 1 1 A 58 58 ASP CA C 58 55.700 52.593 3.107 1
1 693 . 6 1 1 A 58 58 ASP CB C 58 42.080 44.447 -2.367 1
1 694 . 6 1 1 A 58 58 ASP N N 58 122.600 119.982 2.618 1
1 695 . 6 1 1 A 59 59 ALA H H 59 8.326 8.793 -0.467 1
1 696 . 6 1 1 A 59 59 ALA HA H 59 5.208 5.384 -0.176 1
1 700 . 6 1 1 A 59 59 ALA C C 59 174.350 176.042 -1.692 1
1 701 . 6 1 1 A 59 59 ALA CA C 59 50.110 49.979 0.131 1
1 702 . 6 1 1 A 59 59 ALA CB C 59 20.760 22.782 -2.022 1
1 703 . 6 1 1 A 59 59 ALA N N 59 121.100 123.468 -2.368 1
1 704 . 6 1 1 A 60 60 VAL H H 60 9.061 9.023 0.038 1
1 705 . 6 1 1 A 60 60 VAL HA H 60 4.117 4.678 -0.561 1
1 713 . 6 1 1 A 60 60 VAL C C 60 174.300 174.967 -0.667 1
1 714 . 6 1 1 A 60 60 VAL CA C 60 61.830 60.328 1.502 1
1 715 . 6 1 1 A 60 60 VAL CB C 60 33.640 31.719 1.921 1
1 718 . 6 1 1 A 60 60 VAL N N 60 121.800 116.407 5.393 1
1 719 . 6 1 1 A 61 61 GLU H H 61 9.027 8.637 0.390 1
1 720 . 6 1 1 A 61 61 GLU HA H 61 4.778 4.586 0.192 1
1 725 . 6 1 1 A 61 61 GLU C C 61 176.200 175.386 0.814 1
1 726 . 6 1 1 A 61 61 GLU CA C 61 54.152 55.638 -1.486 1
1 727 . 6 1 1 A 61 61 GLU CB C 61 32.477 28.242 4.235 1
1 729 . 6 1 1 A 61 61 GLU N N 61 123.900 126.082 -2.182 1
1 730 . 6 1 1 A 62 62 PHE H H 62 9.075 8.794 0.281 1
1 731 . 6 1 1 A 62 62 PHE HA H 62 5.317 4.751 0.566 1
1 739 . 6 1 1 A 62 62 PHE C C 62 174.490 175.492 -1.002 1
1 740 . 6 1 1 A 62 62 PHE CA C 62 54.910 57.638 -2.728 1
1 741 . 6 1 1 A 62 62 PHE CB C 62 39.640 38.070 1.570 1
1 747 . 6 1 1 A 62 62 PHE N N 62 122.000 125.008 -3.008 1
1 748 . 6 1 1 A 63 63 LEU H H 63 8.996 8.153 0.843 1
1 749 . 6 1 1 A 63 63 LEU HA H 63 4.643 4.528 0.115 1
1 759 . 6 1 1 A 63 63 LEU C C 63 175.030 176.762 -1.732 1
1 760 . 6 1 1 A 63 63 LEU CA C 63 53.630 54.349 -0.719 1
1 761 . 6 1 1 A 63 63 LEU CB C 63 44.680 41.431 3.249 1
1 765 . 6 1 1 A 63 63 LEU N N 63 125.000 122.596 2.404 1
1 766 . 6 1 1 A 64 64 TYR H H 64 8.669 8.336 0.333 1
1 767 . 6 1 1 A 64 64 TYR HA H 64 4.758 4.112 0.646 1
1 774 . 6 1 1 A 64 64 TYR C C 64 175.630 175.118 0.512 1
1 775 . 6 1 1 A 64 64 TYR CA C 64 57.460 60.674 -3.214 1
1 776 . 6 1 1 A 64 64 TYR CB C 64 39.690 36.201 3.489 1
1 781 . 6 1 1 A 64 64 TYR N N 64 120.100 116.576 3.524 1
1 782 . 6 1 1 A 65 65 PHE H H 65 8.688 8.164 0.524 1
1 783 . 6 1 1 A 65 65 PHE HA H 65 4.777 4.850 -0.073 1
1 791 . 6 1 1 A 65 65 PHE C C 65 175.940 175.721 0.219 1
1 792 . 6 1 1 A 65 65 PHE CA C 65 57.325 56.624 0.701 1
1 793 . 6 1 1 A 65 65 PHE CB C 65 39.340 37.271 2.069 1
1 799 . 6 1 1 A 65 65 PHE N N 65 122.100 119.639 2.461 1
1 800 . 6 1 1 A 66 66 MET H H 66 8.611 8.792 -0.181 1
1 801 . 6 1 1 A 66 66 MET HA H 66 4.537 4.774 -0.237 1
1 806 . 6 1 1 A 66 66 MET C C 66 176.630 176.611 0.019 1
1 807 . 6 1 1 A 66 66 MET CA C 66 55.370 55.676 -0.306 1
1 808 . 6 1 1 A 66 66 MET CB C 66 32.710 35.008 -2.298 1
1 810 . 6 1 1 A 66 66 MET N N 66 121.700 122.839 -1.139 1
1 811 . 6 1 1 A 67 67 GLY H H 67 8.213 7.830 0.383 1
1 812 . 6 1 1 A 67 67 GLY HA2 H 67 3.928 3.986 -0.058 1
1 813 . 6 1 1 A 67 67 GLY HA3 H 67 3.928 3.999 -0.071 1
1 814 . 6 1 1 A 67 67 GLY C C 67 174.800 175.165 -0.365 1
1 815 . 6 1 1 A 67 67 GLY CA C 67 45.359 45.214 0.145 1
1 816 . 6 1 1 A 67 67 GLY N N 67 109.600 107.014 2.586 1
1 817 . 6 1 1 A 68 68 GLY H H 68 8.353 8.643 -0.290 1
1 818 . 6 1 1 A 68 68 GLY HA2 H 68 4.862 3.871 0.991 1
1 819 . 6 1 1 A 68 68 GLY HA3 H 68 4.861 3.873 0.988 1
1 820 . 6 1 1 A 68 68 GLY C C 68 174.760 175.231 -0.471 1
1 821 . 6 1 1 A 68 68 GLY CA C 68 45.402 47.239 -1.837 1
1 822 . 6 1 1 A 68 68 GLY N N 68 108.600 109.297 -0.697 1
1 823 . 6 1 1 A 69 69 GLY H H 69 8.406 8.459 -0.053 1
1 824 . 6 1 1 A 69 69 GLY HA2 H 69 3.953 3.888 0.065 1
1 825 . 6 1 1 A 69 69 GLY HA3 H 69 3.953 3.891 0.062 1
1 826 . 6 1 1 A 69 69 GLY C C 69 174.070 173.793 0.277 1
1 827 . 6 1 1 A 69 69 GLY CA C 69 45.242 46.035 -0.793 1
1 828 . 6 1 1 A 69 69 GLY N N 69 109.100 113.386 -4.286 1
1 829 . 6 1 1 A 70 70 LYS H H 70 8.153 7.328 0.825 1
1 830 . 6 1 1 A 70 70 LYS HA H 70 4.255 4.281 -0.026 1
1 839 . 6 1 1 A 70 70 LYS C C 70 176.490 176.862 -0.372 1
1 840 . 6 1 1 A 70 70 LYS CA C 70 56.370 55.915 0.455 1
1 841 . 6 1 1 A 70 70 LYS CB C 70 33.130 32.761 0.369 1
1 845 . 6 1 1 A 70 70 LYS N N 70 120.500 119.102 1.398 1
1 846 . 6 1 1 A 71 71 LEU H H 71 8.253 8.372 -0.119 1
1 847 . 6 1 1 A 71 71 LEU HA H 71 4.285 4.300 -0.015 1
1 857 . 6 1 1 A 71 71 LEU C C 71 177.110 176.285 0.825 1
1 858 . 6 1 1 A 71 71 LEU CA C 71 55.120 54.923 0.197 1
1 859 . 6 1 1 A 71 71 LEU CB C 71 42.236 41.116 1.120 1
1 863 . 6 1 1 A 71 71 LEU N N 71 122.905 123.255 -0.350 1
1 864 . 6 1 1 A 72 72 GLU H H 72 8.343 8.533 -0.190 1
1 865 . 6 1 1 A 72 72 GLU HA H 72 4.238 4.300 -0.062 1
1 870 . 6 1 1 A 72 72 GLU C C 72 176.100 175.808 0.292 1
1 871 . 6 1 1 A 72 72 GLU CA C 72 56.760 55.780 0.980 1
1 872 . 6 1 1 A 72 72 GLU CB C 72 30.619 30.220 0.399 1
1 874 . 6 1 1 A 72 72 GLU N N 72 121.500 125.433 -3.933 1
1 875 . 6 1 1 A 73 73 HIS H H 73 8.404 8.191 0.213 1
1 876 . 6 1 1 A 73 73 HIS HA H 73 4.593 4.201 0.392 1
1 879 . 6 1 1 A 73 73 HIS C C 73 173.840 174.799 -0.959 1
1 880 . 6 1 1 A 73 73 HIS CA C 73 55.777 55.958 -0.181 1
1 881 . 6 1 1 A 73 73 HIS CB C 73 30.080 30.014 0.066 1
1 882 . 6 1 1 A 73 73 HIS N N 73 119.733 122.395 -2.662 1
1 883 . 6 1 1 A 74 74 HIS H H 74 8.213 8.575 -0.362 1
1 884 . 6 1 1 A 74 74 HIS CA C 74 57.175 53.730 3.445 1
1 885 . 6 1 1 A 74 74 HIS CB C 74 30.671 29.996 0.675 1
1 9 . 7 1 1 A 2 2 ASN H H 2 9.645 8.878 0.767 1
1 10 . 7 1 1 A 2 2 ASN HA H 2 5.430 5.158 0.272 1
1 15 . 7 1 1 A 2 2 ASN CA C 2 52.761 52.760 0.001 1
1 16 . 7 1 1 A 2 2 ASN CB C 2 40.140 39.606 0.534 1
1 17 . 7 1 1 A 2 2 ASN N N 2 125.300 121.684 3.616 1
1 19 . 7 1 1 A 3 3 LEU H H 3 8.769 9.046 -0.277 1
1 20 . 7 1 1 A 3 3 LEU HA H 3 4.949 5.122 -0.173 1
1 30 . 7 1 1 A 3 3 LEU C C 3 176.320 176.025 0.295 1
1 31 . 7 1 1 A 3 3 LEU CA C 3 54.223 53.529 0.694 1
1 32 . 7 1 1 A 3 3 LEU CB C 3 45.941 43.732 2.209 1
1 36 . 7 1 1 A 3 3 LEU N N 3 121.800 125.611 -3.811 1
1 37 . 7 1 1 A 4 4 THR H H 4 8.329 9.106 -0.777 1
1 38 . 7 1 1 A 4 4 THR HA H 4 4.744 4.465 0.279 1
1 43 . 7 1 1 A 4 4 THR C C 4 173.650 174.171 -0.521 1
1 44 . 7 1 1 A 4 4 THR CA C 4 62.150 61.998 0.152 1
1 45 . 7 1 1 A 4 4 THR CB C 4 69.430 66.983 2.447 1
1 47 . 7 1 1 A 4 4 THR N N 4 116.200 120.270 -4.070 1
1 48 . 7 1 1 A 5 5 VAL H H 5 8.955 7.949 1.006 1
1 49 . 7 1 1 A 5 5 VAL HA H 5 4.683 4.442 0.241 1
1 57 . 7 1 1 A 5 5 VAL C C 5 176.470 175.912 0.558 1
1 58 . 7 1 1 A 5 5 VAL CA C 5 60.724 62.540 -1.816 1
1 59 . 7 1 1 A 5 5 VAL CB C 5 33.590 31.765 1.825 1
1 62 . 7 1 1 A 5 5 VAL N N 5 126.000 124.374 1.626 1
1 63 . 7 1 1 A 6 6 ASN H H 6 9.534 9.841 -0.307 1
1 64 . 7 1 1 A 6 6 ASN HA H 6 4.636 4.473 0.163 1
1 69 . 7 1 1 A 6 6 ASN C C 6 175.900 175.376 0.524 1
1 70 . 7 1 1 A 6 6 ASN CA C 6 54.150 54.535 -0.385 1
1 71 . 7 1 1 A 6 6 ASN CB C 6 36.410 37.142 -0.732 1
1 72 . 7 1 1 A 6 6 ASN N N 6 129.400 121.120 8.280 1
1 74 . 7 1 1 A 7 7 GLY H H 7 8.915 8.151 0.764 1
1 75 . 7 1 1 A 7 7 GLY HA2 H 7 4.170 3.846 0.324 1
1 76 . 7 1 1 A 7 7 GLY HA3 H 7 3.485 3.849 -0.364 1
1 77 . 7 1 1 A 7 7 GLY C C 7 173.950 173.716 0.234 1
1 78 . 7 1 1 A 7 7 GLY CA C 7 45.337 45.502 -0.165 1
1 79 . 7 1 1 A 7 7 GLY N N 7 102.200 104.771 -2.571 1
1 80 . 7 1 1 A 8 8 LYS H H 8 7.900 8.237 -0.337 1
1 81 . 7 1 1 A 8 8 LYS HA H 8 4.987 4.686 0.301 1
1 90 . 7 1 1 A 8 8 LYS CA C 8 52.940 52.861 0.079 1
1 91 . 7 1 1 A 8 8 LYS CB C 8 34.010 33.956 0.054 1
1 95 . 7 1 1 A 8 8 LYS N N 8 121.700 121.567 0.133 1
1 96 . 7 1 1 A 9 9 PRO HA H 9 4.700 4.319 0.381 1
1 103 . 7 1 1 A 9 9 PRO C C 9 176.900 175.211 1.689 1
1 104 . 7 1 1 A 9 9 PRO CA C 9 63.990 63.332 0.658 1
1 105 . 7 1 1 A 9 9 PRO CB C 9 32.000 31.828 0.172 1
1 108 . 7 1 1 A 10 10 SER H H 10 8.970 8.849 0.121 1
1 109 . 7 1 1 A 10 10 SER HA H 10 4.822 5.124 -0.302 1
1 112 . 7 1 1 A 10 10 SER C C 10 172.800 172.241 0.559 1
1 113 . 7 1 1 A 10 10 SER CA C 10 57.880 56.471 1.409 1
1 114 . 7 1 1 A 10 10 SER CB C 10 66.361 66.007 0.354 1
1 115 . 7 1 1 A 10 10 SER N N 10 120.300 117.861 2.439 1
1 116 . 7 1 1 A 11 11 THR H H 11 8.590 8.739 -0.149 1
1 117 . 7 1 1 A 11 11 THR HA H 11 5.163 4.843 0.320 1
1 122 . 7 1 1 A 11 11 THR C C 11 173.720 172.277 1.443 1
1 123 . 7 1 1 A 11 11 THR CA C 11 61.380 61.158 0.222 1
1 124 . 7 1 1 A 11 11 THR CB C 11 71.950 71.791 0.159 1
1 126 . 7 1 1 A 11 11 THR N N 11 120.191 116.830 3.361 1
1 127 . 7 1 1 A 12 12 VAL H H 12 8.563 9.206 -0.643 1
1 128 . 7 1 1 A 12 12 VAL HA H 12 4.172 4.911 -0.739 1
1 136 . 7 1 1 A 12 12 VAL C C 12 175.380 173.961 1.419 1
1 137 . 7 1 1 A 12 12 VAL CA C 12 61.350 60.689 0.661 1
1 138 . 7 1 1 A 12 12 VAL CB C 12 33.053 33.638 -0.585 1
1 141 . 7 1 1 A 12 12 VAL N N 12 125.000 123.029 1.971 1
1 142 . 7 1 1 A 13 13 ASP H H 13 8.878 8.792 0.086 1
1 143 . 7 1 1 A 13 13 ASP HA H 13 4.501 4.428 0.073 1
1 146 . 7 1 1 A 13 13 ASP C C 13 177.180 176.751 0.429 1
1 147 . 7 1 1 A 13 13 ASP CA C 13 55.120 55.432 -0.312 1
1 148 . 7 1 1 A 13 13 ASP CB C 13 41.450 40.360 1.090 1
1 149 . 7 1 1 A 13 13 ASP N N 13 128.300 127.888 0.412 1
1 150 . 7 1 1 A 14 14 GLY H H 14 8.697 8.871 -0.174 1
1 151 . 7 1 1 A 14 14 GLY HA2 H 14 4.076 3.958 0.118 1
1 152 . 7 1 1 A 14 14 GLY HA3 H 14 3.719 3.967 -0.248 1
1 153 . 7 1 1 A 14 14 GLY C C 14 173.244 174.536 -1.292 1
1 154 . 7 1 1 A 14 14 GLY CA C 14 45.887 44.951 0.936 1
1 155 . 7 1 1 A 14 14 GLY N N 14 109.900 113.957 -4.057 1
1 156 . 7 1 1 A 15 15 ALA H H 15 7.360 7.876 -0.516 1
1 157 . 7 1 1 A 15 15 ALA HA H 15 4.601 4.379 0.222 1
1 161 . 7 1 1 A 15 15 ALA C C 15 176.240 176.278 -0.038 1
1 162 . 7 1 1 A 15 15 ALA CA C 15 51.370 52.361 -0.991 1
1 163 . 7 1 1 A 15 15 ALA CB C 15 20.970 19.343 1.627 1
1 164 . 7 1 1 A 15 15 ALA N N 15 121.213 124.250 -3.037 1
1 165 . 7 1 1 A 16 16 GLU H H 16 8.967 9.014 -0.047 1
1 166 . 7 1 1 A 16 16 GLU HA H 16 4.406 4.631 -0.225 1
1 171 . 7 1 1 A 16 16 GLU C C 16 175.800 175.568 0.232 1
1 172 . 7 1 1 A 16 16 GLU CA C 16 57.170 55.726 1.444 1
1 173 . 7 1 1 A 16 16 GLU CB C 16 30.700 31.821 -1.121 1
1 175 . 7 1 1 A 16 16 GLU N N 16 120.800 122.513 -1.713 1
1 176 . 7 1 1 A 17 17 SER H H 17 7.587 8.684 -1.097 1
1 177 . 7 1 1 A 17 17 SER HA H 17 4.891 4.315 0.576 1
1 180 . 7 1 1 A 17 17 SER C C 17 172.400 173.294 -0.894 1
1 181 . 7 1 1 A 17 17 SER CA C 17 57.797 59.390 -1.593 1
1 182 . 7 1 1 A 17 17 SER CB C 17 64.571 61.487 3.084 1
1 183 . 7 1 1 A 17 17 SER N N 17 111.600 118.899 -7.299 1
1 184 . 7 1 1 A 18 18 LEU H H 18 8.285 7.702 0.583 1
1 185 . 7 1 1 A 18 18 LEU HA H 18 4.810 4.443 0.367 1
1 195 . 7 1 1 A 18 18 LEU C C 18 175.800 176.730 -0.930 1
1 196 . 7 1 1 A 18 18 LEU CA C 18 54.230 53.802 0.428 1
1 197 . 7 1 1 A 18 18 LEU CB C 18 47.430 43.053 4.377 1
1 201 . 7 1 1 A 18 18 LEU N N 18 122.165 118.597 3.568 1
1 202 . 7 1 1 A 19 19 ASN H H 19 8.920 8.734 0.186 1
1 203 . 7 1 1 A 19 19 ASN HA H 19 5.768 5.226 0.542 1
1 208 . 7 1 1 A 19 19 ASN C C 19 176.170 176.255 -0.085 1
1 209 . 7 1 1 A 19 19 ASN CA C 19 51.650 52.120 -0.470 1
1 210 . 7 1 1 A 19 19 ASN CB C 19 38.430 40.022 -1.592 1
1 211 . 7 1 1 A 19 19 ASN N N 19 118.700 118.433 0.267 1
1 213 . 7 1 1 A 20 20 VAL H H 20 7.805 8.861 -1.056 1
1 214 . 7 1 1 A 20 20 VAL HA H 20 3.297 3.702 -0.405 1
1 222 . 7 1 1 A 20 20 VAL C C 20 176.770 177.227 -0.457 1
1 223 . 7 1 1 A 20 20 VAL CA C 20 67.360 66.309 1.051 1
1 224 . 7 1 1 A 20 20 VAL CB C 20 30.940 31.638 -0.698 1
1 227 . 7 1 1 A 20 20 VAL N N 20 117.900 120.999 -3.099 1
1 228 . 7 1 1 A 21 21 THR H H 21 7.230 8.033 -0.803 1
1 229 . 7 1 1 A 21 21 THR HA H 21 3.665 3.824 -0.159 1
1 234 . 7 1 1 A 21 21 THR C C 21 177.360 176.370 0.990 1
1 235 . 7 1 1 A 21 21 THR CA C 21 67.077 67.316 -0.239 1
1 236 . 7 1 1 A 21 21 THR CB C 21 68.460 68.902 -0.442 1
1 238 . 7 1 1 A 21 21 THR N N 21 117.400 116.832 0.568 1
1 239 . 7 1 1 A 22 22 GLU H H 22 8.750 7.706 1.044 1
1 240 . 7 1 1 A 22 22 GLU HA H 22 4.046 4.162 -0.116 1
1 245 . 7 1 1 A 22 22 GLU C C 22 179.910 178.873 1.037 1
1 246 . 7 1 1 A 22 22 GLU CA C 22 58.550 58.864 -0.314 1
1 247 . 7 1 1 A 22 22 GLU CB C 22 30.550 29.092 1.458 1
1 249 . 7 1 1 A 22 22 GLU N N 22 121.238 119.535 1.703 1
1 250 . 7 1 1 A 23 23 LEU H H 23 8.766 8.110 0.656 1
1 251 . 7 1 1 A 23 23 LEU HA H 23 3.935 4.099 -0.164 1
1 261 . 7 1 1 A 23 23 LEU C C 23 177.800 178.142 -0.342 1
1 262 . 7 1 1 A 23 23 LEU CA C 23 58.240 58.217 0.023 1
1 263 . 7 1 1 A 23 23 LEU CB C 23 41.844 41.461 0.383 1
1 267 . 7 1 1 A 23 23 LEU N N 23 123.900 122.585 1.315 1
1 268 . 7 1 1 A 24 24 LEU H H 24 8.305 8.500 -0.195 1
1 269 . 7 1 1 A 24 24 LEU HA H 24 3.690 4.030 -0.340 1
1 279 . 7 1 1 A 24 24 LEU C C 24 179.620 178.347 1.273 1
1 280 . 7 1 1 A 24 24 LEU CA C 24 58.010 58.071 -0.061 1
1 281 . 7 1 1 A 24 24 LEU CB C 24 41.320 41.223 0.097 1
1 285 . 7 1 1 A 24 24 LEU N N 24 117.100 120.285 -3.185 1
1 286 . 7 1 1 A 25 25 SER H H 25 7.226 7.908 -0.682 1
1 287 . 7 1 1 A 25 25 SER HA H 25 4.304 4.138 0.166 1
1 290 . 7 1 1 A 25 25 SER C C 25 178.100 176.937 1.163 1
1 291 . 7 1 1 A 25 25 SER CA C 25 60.900 61.206 -0.306 1
1 292 . 7 1 1 A 25 25 SER CB C 25 62.850 63.213 -0.363 1
1 293 . 7 1 1 A 25 25 SER N N 25 111.500 114.464 -2.964 1
1 294 . 7 1 1 A 26 26 ALA H H 26 8.712 8.334 0.378 1
1 295 . 7 1 1 A 26 26 ALA HA H 26 4.138 4.197 -0.059 1
1 299 . 7 1 1 A 26 26 ALA C C 26 180.000 179.313 0.687 1
1 300 . 7 1 1 A 26 26 ALA CA C 26 55.180 54.992 0.188 1
1 301 . 7 1 1 A 26 26 ALA CB C 26 18.200 18.295 -0.095 1
1 302 . 7 1 1 A 26 26 ALA N N 26 126.100 123.531 2.569 1
1 303 . 7 1 1 A 27 27 LEU H H 27 8.050 7.180 0.870 1
1 304 . 7 1 1 A 27 27 LEU HA H 27 4.314 4.231 0.083 1
1 314 . 7 1 1 A 27 27 LEU C C 27 175.810 176.401 -0.591 1
1 315 . 7 1 1 A 27 27 LEU CA C 27 54.307 54.810 -0.503 1
1 316 . 7 1 1 A 27 27 LEU CB C 27 42.021 42.080 -0.059 1
1 320 . 7 1 1 A 27 27 LEU N N 27 114.250 116.124 -1.874 1
1 321 . 7 1 1 A 28 28 LYS H H 28 7.766 7.961 -0.195 1
1 322 . 7 1 1 A 28 28 LYS HA H 28 3.869 3.922 -0.053 1
1 331 . 7 1 1 A 28 28 LYS C C 28 176.030 175.607 0.423 1
1 332 . 7 1 1 A 28 28 LYS CA C 28 56.630 57.580 -0.950 1
1 333 . 7 1 1 A 28 28 LYS CB C 28 28.893 31.625 -2.732 1
1 337 . 7 1 1 A 28 28 LYS N N 28 117.700 119.131 -1.431 1
1 338 . 7 1 1 A 29 29 VAL H H 29 7.583 7.253 0.330 1
1 339 . 7 1 1 A 29 29 VAL HA H 29 3.520 4.029 -0.509 1
1 347 . 7 1 1 A 29 29 VAL C C 29 176.410 176.581 -0.171 1
1 348 . 7 1 1 A 29 29 VAL CA C 29 63.741 63.888 -0.147 1
1 349 . 7 1 1 A 29 29 VAL CB C 29 31.840 32.069 -0.229 1
1 352 . 7 1 1 A 29 29 VAL N N 29 119.200 120.353 -1.153 1
1 353 . 7 1 1 A 30 30 ALA H H 30 8.543 8.710 -0.167 1
1 354 . 7 1 1 A 30 30 ALA HA H 30 4.215 4.169 0.046 1
1 358 . 7 1 1 A 30 30 ALA C C 30 177.710 177.662 0.048 1
1 359 . 7 1 1 A 30 30 ALA CA C 30 52.330 54.421 -2.091 1
1 360 . 7 1 1 A 30 30 ALA CB C 30 19.170 19.076 0.094 1
1 361 . 7 1 1 A 30 30 ALA N N 30 131.100 128.608 2.492 1
1 362 . 7 1 1 A 31 31 GLN H H 31 8.982 7.935 1.047 1
1 363 . 7 1 1 A 31 31 GLN HA H 31 4.162 4.699 -0.537 1
1 370 . 7 1 1 A 31 31 GLN C C 31 176.670 175.351 1.319 1
1 371 . 7 1 1 A 31 31 GLN CA C 31 56.100 54.657 1.443 1
1 372 . 7 1 1 A 31 31 GLN CB C 31 27.390 30.753 -3.363 1
1 374 . 7 1 1 A 31 31 GLN N N 31 117.300 117.192 0.108 1
1 376 . 7 1 1 A 32 32 ALA H H 32 8.029 8.773 -0.744 1
1 377 . 7 1 1 A 32 32 ALA HA H 32 3.738 4.315 -0.577 1
1 381 . 7 1 1 A 32 32 ALA C C 32 178.700 178.368 0.332 1
1 382 . 7 1 1 A 32 32 ALA CA C 32 55.010 53.222 1.788 1
1 383 . 7 1 1 A 32 32 ALA CB C 32 18.647 20.004 -1.357 1
1 384 . 7 1 1 A 32 32 ALA N N 32 119.900 122.400 -2.500 1
1 385 . 7 1 1 A 33 33 GLU H H 33 9.338 8.266 1.072 1
1 386 . 7 1 1 A 33 33 GLU HA H 33 4.037 4.110 -0.073 1
1 391 . 7 1 1 A 33 33 GLU C C 33 176.370 177.434 -1.064 1
1 392 . 7 1 1 A 33 33 GLU CA C 33 58.280 58.861 -0.581 1
1 393 . 7 1 1 A 33 33 GLU CB C 33 28.670 28.668 0.002 1
1 395 . 7 1 1 A 33 33 GLU N N 33 116.800 117.971 -1.171 1
1 396 . 7 1 1 A 34 34 TYR H H 34 8.063 7.483 0.580 1
1 397 . 7 1 1 A 34 34 TYR HA H 34 4.820 4.535 0.285 1
1 404 . 7 1 1 A 34 34 TYR C C 34 175.460 176.496 -1.036 1
1 405 . 7 1 1 A 34 34 TYR CA C 34 56.800 59.546 -2.746 1
1 406 . 7 1 1 A 34 34 TYR CB C 34 39.810 38.751 1.059 1
1 411 . 7 1 1 A 34 34 TYR N N 34 116.100 118.587 -2.487 1
1 412 . 7 1 1 A 35 35 VAL H H 35 7.330 7.336 -0.006 1
1 413 . 7 1 1 A 35 35 VAL HA H 35 4.689 3.023 1.666 1
1 421 . 7 1 1 A 35 35 VAL C C 35 173.700 174.437 -0.737 1
1 422 . 7 1 1 A 35 35 VAL CA C 35 61.550 61.710 -0.160 1
1 423 . 7 1 1 A 35 35 VAL CB C 35 33.650 29.581 4.069 1
1 426 . 7 1 1 A 35 35 VAL N N 35 121.200 119.911 1.289 1
1 427 . 7 1 1 A 36 36 THR H H 36 8.879 7.694 1.185 1
1 428 . 7 1 1 A 36 36 THR HA H 36 4.696 4.472 0.224 1
1 433 . 7 1 1 A 36 36 THR C C 36 172.930 173.880 -0.950 1
1 434 . 7 1 1 A 36 36 THR CA C 36 62.300 61.940 0.360 1
1 435 . 7 1 1 A 36 36 THR CB C 36 70.500 67.298 3.202 1
1 437 . 7 1 1 A 36 36 THR N N 36 126.800 123.962 2.838 1
1 438 . 7 1 1 A 37 37 VAL H H 37 9.616 8.118 1.498 1
1 439 . 7 1 1 A 37 37 VAL HA H 37 5.072 4.457 0.615 1
1 447 . 7 1 1 A 37 37 VAL C C 37 174.820 175.346 -0.526 1
1 448 . 7 1 1 A 37 37 VAL CA C 37 59.440 60.812 -1.372 1
1 449 . 7 1 1 A 37 37 VAL CB C 37 35.270 32.704 2.566 1
1 452 . 7 1 1 A 37 37 VAL N N 37 127.600 123.080 4.520 1
1 453 . 7 1 1 A 38 38 GLU H H 38 8.934 8.742 0.192 1
1 454 . 7 1 1 A 38 38 GLU HA H 38 5.059 5.069 -0.010 1
1 459 . 7 1 1 A 38 38 GLU C C 38 174.850 175.172 -0.322 1
1 460 . 7 1 1 A 38 38 GLU CA C 38 53.989 54.517 -0.528 1
1 461 . 7 1 1 A 38 38 GLU CB C 38 32.599 33.030 -0.431 1
1 463 . 7 1 1 A 38 38 GLU N N 38 126.700 122.622 4.078 1
1 464 . 7 1 1 A 39 39 LEU H H 39 9.004 8.146 0.858 1
1 465 . 7 1 1 A 39 39 LEU HA H 39 5.082 4.991 0.091 1
1 474 . 7 1 1 A 39 39 LEU C C 39 175.890 176.273 -0.383 1
1 475 . 7 1 1 A 39 39 LEU CA C 39 53.030 53.444 -0.414 1
1 476 . 7 1 1 A 39 39 LEU CB C 39 45.640 43.901 1.739 1
1 479 . 7 1 1 A 39 39 LEU N N 39 128.700 120.393 8.307 1
1 480 . 7 1 1 A 40 40 ASN H H 40 10.210 9.744 0.466 1
1 481 . 7 1 1 A 40 40 ASN HA H 40 4.495 4.467 0.028 1
1 486 . 7 1 1 A 40 40 ASN C C 40 175.620 175.534 0.086 1
1 487 . 7 1 1 A 40 40 ASN CA C 40 54.540 54.447 0.093 1
1 488 . 7 1 1 A 40 40 ASN CB C 40 37.280 37.042 0.238 1
1 489 . 7 1 1 A 40 40 ASN N N 40 128.749 118.081 10.668 1
1 491 . 7 1 1 A 41 41 GLY H H 41 8.913 8.639 0.274 1
1 492 . 7 1 1 A 41 41 GLY HA2 H 41 4.162 3.852 0.310 1
1 493 . 7 1 1 A 41 41 GLY HA3 H 41 3.625 3.852 -0.227 1
1 494 . 7 1 1 A 41 41 GLY C C 41 173.380 173.774 -0.394 1
1 495 . 7 1 1 A 41 41 GLY CA C 41 45.220 45.558 -0.338 1
1 496 . 7 1 1 A 41 41 GLY N N 41 102.811 104.957 -2.146 1
1 497 . 7 1 1 A 42 42 GLU H H 42 7.716 7.873 -0.157 1
1 498 . 7 1 1 A 42 42 GLU HA H 42 4.655 4.716 -0.061 1
1 503 . 7 1 1 A 42 42 GLU C C 42 175.300 175.596 -0.296 1
1 504 . 7 1 1 A 42 42 GLU CA C 42 54.190 54.946 -0.756 1
1 505 . 7 1 1 A 42 42 GLU CB C 42 31.770 32.445 -0.675 1
1 507 . 7 1 1 A 42 42 GLU N N 42 120.731 120.293 0.438 1
1 508 . 7 1 1 A 43 43 VAL H H 43 8.872 8.611 0.261 1
1 509 . 7 1 1 A 43 43 VAL HA H 43 4.025 4.202 -0.177 1
1 517 . 7 1 1 A 43 43 VAL C C 43 176.260 175.603 0.657 1
1 518 . 7 1 1 A 43 43 VAL CA C 43 64.110 62.748 1.362 1
1 519 . 7 1 1 A 43 43 VAL CB C 43 31.500 32.831 -1.331 1
1 522 . 7 1 1 A 43 43 VAL N N 43 126.800 127.780 -0.980 1
1 523 . 7 1 1 A 44 44 LEU H H 44 8.810 8.316 0.494 1
1 524 . 7 1 1 A 44 44 LEU HA H 44 4.656 4.752 -0.096 1
1 534 . 7 1 1 A 44 44 LEU C C 44 177.620 175.715 1.905 1
1 535 . 7 1 1 A 44 44 LEU CA C 44 53.750 53.243 0.507 1
1 536 . 7 1 1 A 44 44 LEU CB C 44 44.080 43.222 0.858 1
1 540 . 7 1 1 A 44 44 LEU N N 44 129.200 127.944 1.256 1
1 541 . 7 1 1 A 45 45 GLU H H 45 8.742 8.481 0.261 1
1 542 . 7 1 1 A 45 45 GLU HA H 45 4.465 4.367 0.098 1
1 547 . 7 1 1 A 45 45 GLU C C 45 177.440 177.237 0.203 1
1 548 . 7 1 1 A 45 45 GLU CA C 45 55.270 55.913 -0.643 1
1 549 . 7 1 1 A 45 45 GLU CB C 45 29.830 31.459 -1.629 1
1 551 . 7 1 1 A 45 45 GLU N N 45 122.500 121.085 1.415 1
1 552 . 7 1 1 A 46 46 ARG H H 46 8.674 8.759 -0.085 1
1 553 . 7 1 1 A 46 46 ARG HA H 46 2.384 4.000 -1.616 1
1 560 . 7 1 1 A 46 46 ARG C C 46 179.080 176.219 2.861 1
1 561 . 7 1 1 A 46 46 ARG CA C 46 58.150 58.467 -0.317 1
1 562 . 7 1 1 A 46 46 ARG CB C 46 29.050 29.701 -0.651 1
1 565 . 7 1 1 A 46 46 ARG N N 46 124.600 124.659 -0.059 1
1 566 . 7 1 1 A 47 47 GLU H H 47 9.010 7.892 1.118 1
1 567 . 7 1 1 A 47 47 GLU HA H 47 4.008 4.348 -0.340 1
1 572 . 7 1 1 A 47 47 GLU C C 47 176.700 176.634 0.066 1
1 573 . 7 1 1 A 47 47 GLU CA C 47 58.720 55.124 3.596 1
1 574 . 7 1 1 A 47 47 GLU CB C 47 28.590 30.199 -1.609 1
1 576 . 7 1 1 A 47 47 GLU N N 47 117.300 115.504 1.796 1
1 577 . 7 1 1 A 48 48 ALA H H 48 8.011 7.522 0.489 1
1 578 . 7 1 1 A 48 48 ALA HA H 48 4.749 4.393 0.356 1
1 582 . 7 1 1 A 48 48 ALA C C 48 180.070 177.649 2.421 1
1 583 . 7 1 1 A 48 48 ALA CA C 48 51.780 51.519 0.261 1
1 584 . 7 1 1 A 48 48 ALA CB C 48 19.390 19.073 0.317 1
1 585 . 7 1 1 A 48 48 ALA N N 48 120.200 121.857 -1.657 1
1 586 . 7 1 1 A 49 49 PHE H H 49 8.002 7.340 0.662 1
1 587 . 7 1 1 A 49 49 PHE HA H 49 4.305 4.223 0.082 1
1 594 . 7 1 1 A 49 49 PHE C C 49 177.710 177.914 -0.204 1
1 595 . 7 1 1 A 49 49 PHE CA C 49 59.969 61.168 -1.199 1
1 596 . 7 1 1 A 49 49 PHE CB C 49 36.820 38.133 -1.313 1
1 601 . 7 1 1 A 49 49 PHE N N 49 123.801 117.237 6.564 1
1 602 . 7 1 1 A 50 50 ASP H H 50 8.558 8.131 0.427 1
1 603 . 7 1 1 A 50 50 ASP HA H 50 4.561 4.367 0.194 1
1 606 . 7 1 1 A 50 50 ASP C C 50 176.610 178.400 -1.790 1
1 607 . 7 1 1 A 50 50 ASP CA C 50 56.100 57.203 -1.103 1
1 608 . 7 1 1 A 50 50 ASP CB C 50 40.350 40.313 0.037 1
1 609 . 7 1 1 A 50 50 ASP N N 50 115.500 119.268 -3.768 1
1 610 . 7 1 1 A 51 51 ALA H H 51 7.539 7.778 -0.239 1
1 611 . 7 1 1 A 51 51 ALA HA H 51 4.498 4.204 0.294 1
1 615 . 7 1 1 A 51 51 ALA C C 51 177.370 178.168 -0.798 1
1 616 . 7 1 1 A 51 51 ALA CA C 51 51.850 55.196 -3.346 1
1 617 . 7 1 1 A 51 51 ALA CB C 51 20.280 18.724 1.556 1
1 618 . 7 1 1 A 51 51 ALA N N 51 119.500 120.107 -0.607 1
1 619 . 7 1 1 A 52 52 THR H H 52 7.503 7.779 -0.276 1
1 620 . 7 1 1 A 52 52 THR HA H 52 4.376 4.298 0.078 1
1 625 . 7 1 1 A 52 52 THR C C 52 172.780 173.973 -1.193 1
1 626 . 7 1 1 A 52 52 THR CA C 52 63.450 63.557 -0.107 1
1 627 . 7 1 1 A 52 52 THR CB C 52 69.910 68.840 1.070 1
1 629 . 7 1 1 A 52 52 THR N N 52 117.700 114.329 3.371 1
1 630 . 7 1 1 A 53 53 THR H H 53 8.354 8.616 -0.262 1
1 631 . 7 1 1 A 53 53 THR HA H 53 4.521 4.998 -0.477 1
1 636 . 7 1 1 A 53 53 THR C C 53 173.000 174.119 -1.119 1
1 637 . 7 1 1 A 53 53 THR CA C 53 62.110 60.617 1.493 1
1 638 . 7 1 1 A 53 53 THR CB C 53 70.380 70.085 0.295 1
1 640 . 7 1 1 A 53 53 THR N N 53 120.700 118.680 2.020 1
1 641 . 7 1 1 A 54 54 VAL H H 54 9.223 9.351 -0.128 1
1 642 . 7 1 1 A 54 54 VAL HA H 54 4.256 4.678 -0.422 1
1 650 . 7 1 1 A 54 54 VAL C C 54 173.500 175.210 -1.710 1
1 651 . 7 1 1 A 54 54 VAL CA C 54 61.330 61.280 0.050 1
1 652 . 7 1 1 A 54 54 VAL CB C 54 33.090 33.577 -0.487 1
1 655 . 7 1 1 A 54 54 VAL N N 54 126.200 126.176 0.024 1
1 656 . 7 1 1 A 55 55 LYS H H 55 9.074 8.939 0.135 1
1 657 . 7 1 1 A 55 55 LYS HA H 55 4.847 4.888 -0.041 1
1 666 . 7 1 1 A 55 55 LYS C C 55 174.610 175.097 -0.487 1
1 667 . 7 1 1 A 55 55 LYS CA C 55 54.265 54.210 0.055 1
1 668 . 7 1 1 A 55 55 LYS CB C 55 36.111 35.892 0.219 1
1 672 . 7 1 1 A 55 55 LYS N N 55 124.700 124.950 -0.250 1
1 673 . 7 1 1 A 56 56 ASP H H 56 8.111 8.603 -0.492 1
1 674 . 7 1 1 A 56 56 ASP HA H 56 4.553 4.380 0.173 1
1 677 . 7 1 1 A 56 56 ASP C C 56 177.720 177.197 0.523 1
1 678 . 7 1 1 A 56 56 ASP CA C 56 56.040 55.836 0.204 1
1 679 . 7 1 1 A 56 56 ASP CB C 56 43.070 40.452 2.618 1
1 680 . 7 1 1 A 56 56 ASP N N 56 116.700 121.637 -4.937 1
1 681 . 7 1 1 A 57 57 GLY H H 57 9.330 8.844 0.486 1
1 682 . 7 1 1 A 57 57 GLY HA2 H 57 4.343 4.014 0.329 1
1 683 . 7 1 1 A 57 57 GLY HA3 H 57 3.652 4.015 -0.363 1
1 684 . 7 1 1 A 57 57 GLY C C 57 175.140 173.287 1.853 1
1 685 . 7 1 1 A 57 57 GLY CA C 57 44.869 46.483 -1.614 1
1 686 . 7 1 1 A 57 57 GLY N N 57 113.900 113.569 0.331 1
1 687 . 7 1 1 A 58 58 ASP H H 58 8.104 7.945 0.159 1
1 688 . 7 1 1 A 58 58 ASP HA H 58 4.808 5.189 -0.381 1
1 691 . 7 1 1 A 58 58 ASP C C 58 174.100 174.223 -0.123 1
1 692 . 7 1 1 A 58 58 ASP CA C 58 55.700 53.206 2.494 1
1 693 . 7 1 1 A 58 58 ASP CB C 58 42.080 44.912 -2.832 1
1 694 . 7 1 1 A 58 58 ASP N N 58 122.600 119.285 3.315 1
1 695 . 7 1 1 A 59 59 ALA H H 59 8.326 8.805 -0.479 1
1 696 . 7 1 1 A 59 59 ALA HA H 59 5.208 5.228 -0.020 1
1 700 . 7 1 1 A 59 59 ALA C C 59 174.350 175.632 -1.282 1
1 701 . 7 1 1 A 59 59 ALA CA C 59 50.110 50.461 -0.351 1
1 702 . 7 1 1 A 59 59 ALA CB C 59 20.760 20.184 0.576 1
1 703 . 7 1 1 A 59 59 ALA N N 59 121.100 124.133 -3.033 1
1 704 . 7 1 1 A 60 60 VAL H H 60 9.061 8.911 0.150 1
1 705 . 7 1 1 A 60 60 VAL HA H 60 4.117 4.725 -0.608 1
1 713 . 7 1 1 A 60 60 VAL C C 60 174.300 174.012 0.288 1
1 714 . 7 1 1 A 60 60 VAL CA C 60 61.830 60.368 1.462 1
1 715 . 7 1 1 A 60 60 VAL CB C 60 33.640 33.701 -0.061 1
1 718 . 7 1 1 A 60 60 VAL N N 60 121.800 125.068 -3.268 1
1 719 . 7 1 1 A 61 61 GLU H H 61 9.027 9.122 -0.095 1
1 720 . 7 1 1 A 61 61 GLU HA H 61 4.778 5.036 -0.258 1
1 725 . 7 1 1 A 61 61 GLU C C 61 176.200 175.587 0.613 1
1 726 . 7 1 1 A 61 61 GLU CA C 61 54.152 55.055 -0.903 1
1 727 . 7 1 1 A 61 61 GLU CB C 61 32.477 31.625 0.852 1
1 729 . 7 1 1 A 61 61 GLU N N 61 123.900 127.550 -3.650 1
1 730 . 7 1 1 A 62 62 PHE H H 62 9.075 9.187 -0.112 1
1 731 . 7 1 1 A 62 62 PHE HA H 62 5.317 5.100 0.217 1
1 739 . 7 1 1 A 62 62 PHE C C 62 174.490 175.198 -0.708 1
1 740 . 7 1 1 A 62 62 PHE CA C 62 54.910 57.120 -2.210 1
1 741 . 7 1 1 A 62 62 PHE CB C 62 39.640 40.951 -1.311 1
1 747 . 7 1 1 A 62 62 PHE N N 62 122.000 122.938 -0.938 1
1 748 . 7 1 1 A 63 63 LEU H H 63 8.996 8.636 0.360 1
1 749 . 7 1 1 A 63 63 LEU HA H 63 4.643 4.679 -0.036 1
1 759 . 7 1 1 A 63 63 LEU C C 63 175.030 175.177 -0.147 1
1 760 . 7 1 1 A 63 63 LEU CA C 63 53.630 53.054 0.576 1
1 761 . 7 1 1 A 63 63 LEU CB C 63 44.680 44.073 0.607 1
1 765 . 7 1 1 A 63 63 LEU N N 63 125.000 119.495 5.505 1
1 766 . 7 1 1 A 64 64 TYR H H 64 8.669 8.233 0.436 1
1 767 . 7 1 1 A 64 64 TYR HA H 64 4.758 3.986 0.772 1
1 774 . 7 1 1 A 64 64 TYR C C 64 175.630 174.736 0.894 1
1 775 . 7 1 1 A 64 64 TYR CA C 64 57.460 59.756 -2.296 1
1 776 . 7 1 1 A 64 64 TYR CB C 64 39.690 35.900 3.790 1
1 781 . 7 1 1 A 64 64 TYR N N 64 120.100 117.559 2.541 1
1 782 . 7 1 1 A 65 65 PHE H H 65 8.688 7.841 0.847 1
1 783 . 7 1 1 A 65 65 PHE HA H 65 4.777 4.684 0.093 1
1 791 . 7 1 1 A 65 65 PHE C C 65 175.940 175.666 0.274 1
1 792 . 7 1 1 A 65 65 PHE CA C 65 57.325 57.827 -0.502 1
1 793 . 7 1 1 A 65 65 PHE CB C 65 39.340 39.511 -0.171 1
1 799 . 7 1 1 A 65 65 PHE N N 65 122.100 120.632 1.468 1
1 800 . 7 1 1 A 66 66 MET H H 66 8.611 9.093 -0.482 1
1 801 . 7 1 1 A 66 66 MET HA H 66 4.537 4.726 -0.189 1
1 806 . 7 1 1 A 66 66 MET C C 66 176.630 176.796 -0.166 1
1 807 . 7 1 1 A 66 66 MET CA C 66 55.370 55.607 -0.237 1
1 808 . 7 1 1 A 66 66 MET CB C 66 32.710 33.617 -0.907 1
1 810 . 7 1 1 A 66 66 MET N N 66 121.700 123.508 -1.808 1
1 811 . 7 1 1 A 67 67 GLY H H 67 8.213 8.420 -0.207 1
1 812 . 7 1 1 A 67 67 GLY HA2 H 67 3.928 3.954 -0.026 1
1 813 . 7 1 1 A 67 67 GLY HA3 H 67 3.928 3.986 -0.058 1
1 814 . 7 1 1 A 67 67 GLY C C 67 174.800 174.966 -0.166 1
1 815 . 7 1 1 A 67 67 GLY CA C 67 45.359 45.363 -0.004 1
1 816 . 7 1 1 A 67 67 GLY N N 67 109.600 109.756 -0.156 1
1 817 . 7 1 1 A 68 68 GLY H H 68 8.353 7.936 0.417 1
1 818 . 7 1 1 A 68 68 GLY HA2 H 68 4.862 3.998 0.864 1
1 819 . 7 1 1 A 68 68 GLY HA3 H 68 4.861 4.019 0.842 1
1 820 . 7 1 1 A 68 68 GLY C C 68 174.760 174.485 0.275 1
1 821 . 7 1 1 A 68 68 GLY CA C 68 45.402 44.702 0.700 1
1 822 . 7 1 1 A 68 68 GLY N N 68 108.600 107.798 0.802 1
1 823 . 7 1 1 A 69 69 GLY H H 69 8.406 8.556 -0.150 1
1 824 . 7 1 1 A 69 69 GLY HA2 H 69 3.953 3.872 0.081 1
1 825 . 7 1 1 A 69 69 GLY HA3 H 69 3.953 3.892 0.061 1
1 826 . 7 1 1 A 69 69 GLY C C 69 174.070 173.820 0.250 1
1 827 . 7 1 1 A 69 69 GLY CA C 69 45.242 46.633 -1.391 1
1 828 . 7 1 1 A 69 69 GLY N N 69 109.100 112.581 -3.481 1
1 829 . 7 1 1 A 70 70 LYS H H 70 8.153 8.206 -0.053 1
1 830 . 7 1 1 A 70 70 LYS HA H 70 4.255 4.236 0.019 1
1 839 . 7 1 1 A 70 70 LYS C C 70 176.490 176.446 0.044 1
1 840 . 7 1 1 A 70 70 LYS CA C 70 56.370 56.941 -0.571 1
1 841 . 7 1 1 A 70 70 LYS CB C 70 33.130 32.962 0.168 1
1 845 . 7 1 1 A 70 70 LYS N N 70 120.500 125.017 -4.517 1
1 846 . 7 1 1 A 71 71 LEU H H 71 8.253 8.555 -0.302 1
1 847 . 7 1 1 A 71 71 LEU HA H 71 4.285 4.600 -0.315 1
1 857 . 7 1 1 A 71 71 LEU C C 71 177.110 176.642 0.468 1
1 858 . 7 1 1 A 71 71 LEU CA C 71 55.120 54.032 1.088 1
1 859 . 7 1 1 A 71 71 LEU CB C 71 42.236 43.096 -0.860 1
1 863 . 7 1 1 A 71 71 LEU N N 71 122.905 127.835 -4.930 1
1 864 . 7 1 1 A 72 72 GLU H H 72 8.343 8.855 -0.512 1
1 865 . 7 1 1 A 72 72 GLU HA H 72 4.238 3.962 0.276 1
1 870 . 7 1 1 A 72 72 GLU C C 72 176.100 174.981 1.119 1
1 871 . 7 1 1 A 72 72 GLU CA C 72 56.760 56.940 -0.180 1
1 872 . 7 1 1 A 72 72 GLU CB C 72 30.619 28.383 2.236 1
1 874 . 7 1 1 A 72 72 GLU N N 72 121.500 117.251 4.249 1
1 875 . 7 1 1 A 73 73 HIS H H 73 8.404 8.407 -0.003 1
1 876 . 7 1 1 A 73 73 HIS HA H 73 4.593 5.136 -0.543 1
1 879 . 7 1 1 A 73 73 HIS C C 73 173.840 173.790 0.050 1
1 880 . 7 1 1 A 73 73 HIS CA C 73 55.777 54.793 0.984 1
1 881 . 7 1 1 A 73 73 HIS CB C 73 30.080 34.226 -4.146 1
1 882 . 7 1 1 A 73 73 HIS N N 73 119.733 118.918 0.815 1
1 883 . 7 1 1 A 74 74 HIS H H 74 8.213 8.830 -0.617 1
1 884 . 7 1 1 A 74 74 HIS CA C 74 57.175 56.456 0.719 1
1 885 . 7 1 1 A 74 74 HIS CB C 74 30.671 30.259 0.412 1
1 9 . 8 1 1 A 2 2 ASN H H 2 9.645 8.914 0.731 1
1 10 . 8 1 1 A 2 2 ASN HA H 2 5.430 5.190 0.240 1
1 15 . 8 1 1 A 2 2 ASN CA C 2 52.761 52.510 0.251 1
1 16 . 8 1 1 A 2 2 ASN CB C 2 40.140 39.178 0.962 1
1 17 . 8 1 1 A 2 2 ASN N N 2 125.300 120.709 4.591 1
1 19 . 8 1 1 A 3 3 LEU H H 3 8.769 9.021 -0.252 1
1 20 . 8 1 1 A 3 3 LEU HA H 3 4.949 4.978 -0.029 1
1 30 . 8 1 1 A 3 3 LEU C C 3 176.320 176.100 0.220 1
1 31 . 8 1 1 A 3 3 LEU CA C 3 54.223 53.352 0.871 1
1 32 . 8 1 1 A 3 3 LEU CB C 3 45.941 43.675 2.266 1
1 36 . 8 1 1 A 3 3 LEU N N 3 121.800 124.794 -2.994 1
1 37 . 8 1 1 A 4 4 THR H H 4 8.329 8.876 -0.547 1
1 38 . 8 1 1 A 4 4 THR HA H 4 4.744 5.274 -0.530 1
1 43 . 8 1 1 A 4 4 THR C C 4 173.650 173.469 0.181 1
1 44 . 8 1 1 A 4 4 THR CA C 4 62.150 61.856 0.294 1
1 45 . 8 1 1 A 4 4 THR CB C 4 69.430 70.813 -1.383 1
1 47 . 8 1 1 A 4 4 THR N N 4 116.200 116.196 0.004 1
1 48 . 8 1 1 A 5 5 VAL H H 5 8.955 8.779 0.176 1
1 49 . 8 1 1 A 5 5 VAL HA H 5 4.683 5.183 -0.500 1
1 57 . 8 1 1 A 5 5 VAL C C 5 176.470 175.614 0.856 1
1 58 . 8 1 1 A 5 5 VAL CA C 5 60.724 60.679 0.045 1
1 59 . 8 1 1 A 5 5 VAL CB C 5 33.590 33.603 -0.013 1
1 62 . 8 1 1 A 5 5 VAL N N 5 126.000 123.473 2.527 1
1 63 . 8 1 1 A 6 6 ASN H H 6 9.534 9.570 -0.036 1
1 64 . 8 1 1 A 6 6 ASN HA H 6 4.636 4.467 0.169 1
1 69 . 8 1 1 A 6 6 ASN C C 6 175.900 175.440 0.460 1
1 70 . 8 1 1 A 6 6 ASN CA C 6 54.150 54.511 -0.361 1
1 71 . 8 1 1 A 6 6 ASN CB C 6 36.410 36.979 -0.569 1
1 72 . 8 1 1 A 6 6 ASN N N 6 129.400 121.786 7.614 1
1 74 . 8 1 1 A 7 7 GLY H H 7 8.915 8.469 0.446 1
1 75 . 8 1 1 A 7 7 GLY HA2 H 7 4.170 3.854 0.316 1
1 76 . 8 1 1 A 7 7 GLY HA3 H 7 3.485 3.856 -0.371 1
1 77 . 8 1 1 A 7 7 GLY C C 7 173.950 173.655 0.295 1
1 78 . 8 1 1 A 7 7 GLY CA C 7 45.337 45.476 -0.139 1
1 79 . 8 1 1 A 7 7 GLY N N 7 102.200 104.817 -2.617 1
1 80 . 8 1 1 A 8 8 LYS H H 8 7.900 7.981 -0.081 1
1 81 . 8 1 1 A 8 8 LYS HA H 8 4.987 4.847 0.140 1
1 90 . 8 1 1 A 8 8 LYS CA C 8 52.940 53.023 -0.083 1
1 91 . 8 1 1 A 8 8 LYS CB C 8 34.010 33.485 0.525 1
1 95 . 8 1 1 A 8 8 LYS N N 8 121.700 120.914 0.786 1
1 96 . 8 1 1 A 9 9 PRO HA H 9 4.700 4.883 -0.183 1
1 103 . 8 1 1 A 9 9 PRO C C 9 176.900 175.424 1.476 1
1 104 . 8 1 1 A 9 9 PRO CA C 9 63.990 62.518 1.472 1
1 105 . 8 1 1 A 9 9 PRO CB C 9 32.000 31.712 0.288 1
1 108 . 8 1 1 A 10 10 SER H H 10 8.970 9.064 -0.094 1
1 109 . 8 1 1 A 10 10 SER HA H 10 4.822 4.846 -0.024 1
1 112 . 8 1 1 A 10 10 SER C C 10 172.800 172.789 0.011 1
1 113 . 8 1 1 A 10 10 SER CA C 10 57.880 57.325 0.555 1
1 114 . 8 1 1 A 10 10 SER CB C 10 66.361 64.572 1.789 1
1 115 . 8 1 1 A 10 10 SER N N 10 120.300 118.026 2.274 1
1 116 . 8 1 1 A 11 11 THR H H 11 8.590 8.917 -0.327 1
1 117 . 8 1 1 A 11 11 THR HA H 11 5.163 4.888 0.275 1
1 122 . 8 1 1 A 11 11 THR C C 11 173.720 173.958 -0.238 1
1 123 . 8 1 1 A 11 11 THR CA C 11 61.380 62.070 -0.690 1
1 124 . 8 1 1 A 11 11 THR CB C 11 71.950 69.194 2.756 1
1 126 . 8 1 1 A 11 11 THR N N 11 120.191 123.260 -3.069 1
1 127 . 8 1 1 A 12 12 VAL H H 12 8.563 8.350 0.213 1
1 128 . 8 1 1 A 12 12 VAL HA H 12 4.172 4.739 -0.567 1
1 136 . 8 1 1 A 12 12 VAL C C 12 175.380 174.553 0.827 1
1 137 . 8 1 1 A 12 12 VAL CA C 12 61.350 60.983 0.367 1
1 138 . 8 1 1 A 12 12 VAL CB C 12 33.053 33.001 0.052 1
1 141 . 8 1 1 A 12 12 VAL N N 12 125.000 123.103 1.897 1
1 142 . 8 1 1 A 13 13 ASP H H 13 8.878 8.796 0.082 1
1 143 . 8 1 1 A 13 13 ASP HA H 13 4.501 4.350 0.151 1
1 146 . 8 1 1 A 13 13 ASP C C 13 177.180 176.979 0.201 1
1 147 . 8 1 1 A 13 13 ASP CA C 13 55.120 55.417 -0.297 1
1 148 . 8 1 1 A 13 13 ASP CB C 13 41.450 40.985 0.465 1
1 149 . 8 1 1 A 13 13 ASP N N 13 128.300 126.754 1.546 1
1 150 . 8 1 1 A 14 14 GLY H H 14 8.697 8.938 -0.241 1
1 151 . 8 1 1 A 14 14 GLY HA2 H 14 4.076 3.974 0.102 1
1 152 . 8 1 1 A 14 14 GLY HA3 H 14 3.719 3.975 -0.256 1
1 153 . 8 1 1 A 14 14 GLY C C 14 173.244 174.221 -0.977 1
1 154 . 8 1 1 A 14 14 GLY CA C 14 45.887 45.324 0.563 1
1 155 . 8 1 1 A 14 14 GLY N N 14 109.900 114.326 -4.426 1
1 156 . 8 1 1 A 15 15 ALA H H 15 7.360 7.699 -0.339 1
1 157 . 8 1 1 A 15 15 ALA HA H 15 4.601 4.222 0.379 1
1 161 . 8 1 1 A 15 15 ALA C C 15 176.240 177.989 -1.749 1
1 162 . 8 1 1 A 15 15 ALA CA C 15 51.370 52.793 -1.423 1
1 163 . 8 1 1 A 15 15 ALA CB C 15 20.970 19.107 1.863 1
1 164 . 8 1 1 A 15 15 ALA N N 15 121.213 123.366 -2.153 1
1 165 . 8 1 1 A 16 16 GLU H H 16 8.967 9.005 -0.038 1
1 166 . 8 1 1 A 16 16 GLU HA H 16 4.406 4.574 -0.168 1
1 171 . 8 1 1 A 16 16 GLU C C 16 175.800 176.308 -0.508 1
1 172 . 8 1 1 A 16 16 GLU CA C 16 57.170 57.273 -0.103 1
1 173 . 8 1 1 A 16 16 GLU CB C 16 30.700 31.012 -0.312 1
1 175 . 8 1 1 A 16 16 GLU N N 16 120.800 122.307 -1.507 1
1 176 . 8 1 1 A 17 17 SER H H 17 7.587 7.935 -0.348 1
1 177 . 8 1 1 A 17 17 SER HA H 17 4.891 5.095 -0.204 1
1 180 . 8 1 1 A 17 17 SER C C 17 172.400 173.046 -0.646 1
1 181 . 8 1 1 A 17 17 SER CA C 17 57.797 57.573 0.224 1
1 182 . 8 1 1 A 17 17 SER CB C 17 64.571 65.848 -1.277 1
1 183 . 8 1 1 A 17 17 SER N N 17 111.600 114.935 -3.335 1
1 184 . 8 1 1 A 18 18 LEU H H 18 8.285 8.404 -0.119 1
1 185 . 8 1 1 A 18 18 LEU HA H 18 4.810 4.849 -0.039 1
1 195 . 8 1 1 A 18 18 LEU C C 18 175.800 175.355 0.445 1
1 196 . 8 1 1 A 18 18 LEU CA C 18 54.230 53.888 0.342 1
1 197 . 8 1 1 A 18 18 LEU CB C 18 47.430 44.913 2.517 1
1 201 . 8 1 1 A 18 18 LEU N N 18 122.165 121.871 0.294 1
1 202 . 8 1 1 A 19 19 ASN H H 19 8.920 8.352 0.568 1
1 203 . 8 1 1 A 19 19 ASN HA H 19 5.768 5.178 0.590 1
1 208 . 8 1 1 A 19 19 ASN C C 19 176.170 176.446 -0.276 1
1 209 . 8 1 1 A 19 19 ASN CA C 19 51.650 51.466 0.184 1
1 210 . 8 1 1 A 19 19 ASN CB C 19 38.430 39.930 -1.500 1
1 211 . 8 1 1 A 19 19 ASN N N 19 118.700 118.283 0.417 1
1 213 . 8 1 1 A 20 20 VAL H H 20 7.805 8.938 -1.133 1
1 214 . 8 1 1 A 20 20 VAL HA H 20 3.297 3.711 -0.414 1
1 222 . 8 1 1 A 20 20 VAL C C 20 176.770 177.144 -0.374 1
1 223 . 8 1 1 A 20 20 VAL CA C 20 67.360 66.537 0.823 1
1 224 . 8 1 1 A 20 20 VAL CB C 20 30.940 31.598 -0.658 1
1 227 . 8 1 1 A 20 20 VAL N N 20 117.900 120.934 -3.034 1
1 228 . 8 1 1 A 21 21 THR H H 21 7.230 7.848 -0.618 1
1 229 . 8 1 1 A 21 21 THR HA H 21 3.665 3.737 -0.072 1
1 234 . 8 1 1 A 21 21 THR C C 21 177.360 176.218 1.142 1
1 235 . 8 1 1 A 21 21 THR CA C 21 67.077 67.134 -0.057 1
1 236 . 8 1 1 A 21 21 THR CB C 21 68.460 68.678 -0.218 1
1 238 . 8 1 1 A 21 21 THR N N 21 117.400 116.725 0.675 1
1 239 . 8 1 1 A 22 22 GLU H H 22 8.750 7.953 0.797 1
1 240 . 8 1 1 A 22 22 GLU HA H 22 4.046 4.135 -0.089 1
1 245 . 8 1 1 A 22 22 GLU C C 22 179.910 179.211 0.699 1
1 246 . 8 1 1 A 22 22 GLU CA C 22 58.550 58.914 -0.364 1
1 247 . 8 1 1 A 22 22 GLU CB C 22 30.550 29.175 1.375 1
1 249 . 8 1 1 A 22 22 GLU N N 22 121.238 119.471 1.767 1
1 250 . 8 1 1 A 23 23 LEU H H 23 8.766 7.812 0.954 1
1 251 . 8 1 1 A 23 23 LEU HA H 23 3.935 4.047 -0.112 1
1 261 . 8 1 1 A 23 23 LEU C C 23 177.800 178.448 -0.648 1
1 262 . 8 1 1 A 23 23 LEU CA C 23 58.240 58.037 0.203 1
1 263 . 8 1 1 A 23 23 LEU CB C 23 41.844 41.331 0.513 1
1 267 . 8 1 1 A 23 23 LEU N N 23 123.900 122.500 1.400 1
1 268 . 8 1 1 A 24 24 LEU H H 24 8.305 8.563 -0.258 1
1 269 . 8 1 1 A 24 24 LEU HA H 24 3.690 4.028 -0.338 1
1 279 . 8 1 1 A 24 24 LEU C C 24 179.620 179.321 0.299 1
1 280 . 8 1 1 A 24 24 LEU CA C 24 58.010 57.536 0.474 1
1 281 . 8 1 1 A 24 24 LEU CB C 24 41.320 41.101 0.219 1
1 285 . 8 1 1 A 24 24 LEU N N 24 117.100 118.755 -1.655 1
1 286 . 8 1 1 A 25 25 SER H H 25 7.226 8.033 -0.807 1
1 287 . 8 1 1 A 25 25 SER HA H 25 4.304 4.205 0.099 1
1 290 . 8 1 1 A 25 25 SER C C 25 178.100 177.080 1.020 1
1 291 . 8 1 1 A 25 25 SER CA C 25 60.900 61.309 -0.409 1
1 292 . 8 1 1 A 25 25 SER CB C 25 62.850 62.698 0.152 1
1 293 . 8 1 1 A 25 25 SER N N 25 111.500 115.022 -3.522 1
1 294 . 8 1 1 A 26 26 ALA H H 26 8.712 8.049 0.663 1
1 295 . 8 1 1 A 26 26 ALA HA H 26 4.138 4.144 -0.006 1
1 299 . 8 1 1 A 26 26 ALA C C 26 180.000 179.397 0.603 1
1 300 . 8 1 1 A 26 26 ALA CA C 26 55.180 55.036 0.144 1
1 301 . 8 1 1 A 26 26 ALA CB C 26 18.200 18.107 0.093 1
1 302 . 8 1 1 A 26 26 ALA N N 26 126.100 123.068 3.032 1
1 303 . 8 1 1 A 27 27 LEU H H 27 8.050 7.975 0.075 1
1 304 . 8 1 1 A 27 27 LEU HA H 27 4.314 4.102 0.212 1
1 314 . 8 1 1 A 27 27 LEU C C 27 175.810 176.430 -0.620 1
1 315 . 8 1 1 A 27 27 LEU CA C 27 54.307 57.034 -2.727 1
1 316 . 8 1 1 A 27 27 LEU CB C 27 42.021 42.653 -0.632 1
1 320 . 8 1 1 A 27 27 LEU N N 27 114.250 118.524 -4.274 1
1 321 . 8 1 1 A 28 28 LYS H H 28 7.766 7.607 0.159 1
1 322 . 8 1 1 A 28 28 LYS HA H 28 3.869 3.928 -0.059 1
1 331 . 8 1 1 A 28 28 LYS C C 28 176.030 175.893 0.137 1
1 332 . 8 1 1 A 28 28 LYS CA C 28 56.630 57.120 -0.490 1
1 333 . 8 1 1 A 28 28 LYS CB C 28 28.893 30.836 -1.943 1
1 337 . 8 1 1 A 28 28 LYS N N 28 117.700 118.684 -0.984 1
1 338 . 8 1 1 A 29 29 VAL H H 29 7.583 7.807 -0.224 1
1 339 . 8 1 1 A 29 29 VAL HA H 29 3.520 4.730 -1.210 1
1 347 . 8 1 1 A 29 29 VAL C C 29 176.410 175.024 1.386 1
1 348 . 8 1 1 A 29 29 VAL CA C 29 63.741 60.134 3.607 1
1 349 . 8 1 1 A 29 29 VAL CB C 29 31.840 33.757 -1.917 1
1 352 . 8 1 1 A 29 29 VAL N N 29 119.200 125.133 -5.933 1
1 353 . 8 1 1 A 30 30 ALA H H 30 8.543 8.357 0.186 1
1 354 . 8 1 1 A 30 30 ALA HA H 30 4.215 4.622 -0.407 1
1 358 . 8 1 1 A 30 30 ALA C C 30 177.710 177.810 -0.100 1
1 359 . 8 1 1 A 30 30 ALA CA C 30 52.330 52.050 0.280 1
1 360 . 8 1 1 A 30 30 ALA CB C 30 19.170 19.571 -0.401 1
1 361 . 8 1 1 A 30 30 ALA N N 30 131.100 128.946 2.154 1
1 362 . 8 1 1 A 31 31 GLN H H 31 8.982 9.048 -0.066 1
1 363 . 8 1 1 A 31 31 GLN HA H 31 4.162 4.035 0.127 1
1 370 . 8 1 1 A 31 31 GLN C C 31 176.670 176.554 0.116 1
1 371 . 8 1 1 A 31 31 GLN CA C 31 56.100 56.906 -0.806 1
1 372 . 8 1 1 A 31 31 GLN CB C 31 27.390 27.002 0.388 1
1 374 . 8 1 1 A 31 31 GLN N N 31 117.300 119.360 -2.060 1
1 376 . 8 1 1 A 32 32 ALA H H 32 8.029 7.819 0.210 1
1 377 . 8 1 1 A 32 32 ALA HA H 32 3.738 3.936 -0.198 1
1 381 . 8 1 1 A 32 32 ALA C C 32 178.700 179.074 -0.374 1
1 382 . 8 1 1 A 32 32 ALA CA C 32 55.010 54.996 0.014 1
1 383 . 8 1 1 A 32 32 ALA CB C 32 18.647 18.235 0.412 1
1 384 . 8 1 1 A 32 32 ALA N N 32 119.900 120.655 -0.755 1
1 385 . 8 1 1 A 33 33 GLU H H 33 9.338 7.795 1.543 1
1 386 . 8 1 1 A 33 33 GLU HA H 33 4.037 4.075 -0.038 1
1 391 . 8 1 1 A 33 33 GLU C C 33 176.370 176.659 -0.289 1
1 392 . 8 1 1 A 33 33 GLU CA C 33 58.280 58.194 0.086 1
1 393 . 8 1 1 A 33 33 GLU CB C 33 28.670 29.066 -0.396 1
1 395 . 8 1 1 A 33 33 GLU N N 33 116.800 117.805 -1.005 1
1 396 . 8 1 1 A 34 34 TYR H H 34 8.063 7.926 0.137 1
1 397 . 8 1 1 A 34 34 TYR HA H 34 4.820 4.856 -0.036 1
1 404 . 8 1 1 A 34 34 TYR C C 34 175.460 175.235 0.225 1
1 405 . 8 1 1 A 34 34 TYR CA C 34 56.800 57.885 -1.085 1
1 406 . 8 1 1 A 34 34 TYR CB C 34 39.810 39.620 0.190 1
1 411 . 8 1 1 A 34 34 TYR N N 34 116.100 116.158 -0.058 1
1 412 . 8 1 1 A 35 35 VAL H H 35 7.330 7.287 0.043 1
1 413 . 8 1 1 A 35 35 VAL HA H 35 4.689 2.674 2.015 1
1 421 . 8 1 1 A 35 35 VAL C C 35 173.700 174.480 -0.780 1
1 422 . 8 1 1 A 35 35 VAL CA C 35 61.550 61.907 -0.357 1
1 423 . 8 1 1 A 35 35 VAL CB C 35 33.650 31.802 1.848 1
1 426 . 8 1 1 A 35 35 VAL N N 35 121.200 121.466 -0.266 1
1 427 . 8 1 1 A 36 36 THR H H 36 8.879 7.777 1.102 1
1 428 . 8 1 1 A 36 36 THR HA H 36 4.696 4.780 -0.084 1
1 433 . 8 1 1 A 36 36 THR C C 36 172.930 173.896 -0.966 1
1 434 . 8 1 1 A 36 36 THR CA C 36 62.300 62.083 0.217 1
1 435 . 8 1 1 A 36 36 THR CB C 36 70.500 69.018 1.482 1
1 437 . 8 1 1 A 36 36 THR N N 36 126.800 124.905 1.895 1
1 438 . 8 1 1 A 37 37 VAL H H 37 9.616 9.030 0.586 1
1 439 . 8 1 1 A 37 37 VAL HA H 37 5.072 4.974 0.098 1
1 447 . 8 1 1 A 37 37 VAL C C 37 174.820 174.331 0.489 1
1 448 . 8 1 1 A 37 37 VAL CA C 37 59.440 58.935 0.505 1
1 449 . 8 1 1 A 37 37 VAL CB C 37 35.270 35.815 -0.545 1
1 452 . 8 1 1 A 37 37 VAL N N 37 127.600 119.649 7.951 1
1 453 . 8 1 1 A 38 38 GLU H H 38 8.934 8.873 0.061 1
1 454 . 8 1 1 A 38 38 GLU HA H 38 5.059 5.293 -0.234 1
1 459 . 8 1 1 A 38 38 GLU C C 38 174.850 175.489 -0.639 1
1 460 . 8 1 1 A 38 38 GLU CA C 38 53.989 54.716 -0.727 1
1 461 . 8 1 1 A 38 38 GLU CB C 38 32.599 32.745 -0.146 1
1 463 . 8 1 1 A 38 38 GLU N N 38 126.700 122.502 4.198 1
1 464 . 8 1 1 A 39 39 LEU H H 39 9.004 8.689 0.315 1
1 465 . 8 1 1 A 39 39 LEU HA H 39 5.082 5.223 -0.141 1
1 474 . 8 1 1 A 39 39 LEU C C 39 175.890 176.330 -0.440 1
1 475 . 8 1 1 A 39 39 LEU CA C 39 53.030 53.598 -0.568 1
1 476 . 8 1 1 A 39 39 LEU CB C 39 45.640 43.493 2.147 1
1 479 . 8 1 1 A 39 39 LEU N N 39 128.700 120.628 8.072 1
1 480 . 8 1 1 A 40 40 ASN H H 40 10.210 9.800 0.410 1
1 481 . 8 1 1 A 40 40 ASN HA H 40 4.495 4.460 0.035 1
1 486 . 8 1 1 A 40 40 ASN C C 40 175.620 175.379 0.241 1
1 487 . 8 1 1 A 40 40 ASN CA C 40 54.540 54.488 0.052 1
1 488 . 8 1 1 A 40 40 ASN CB C 40 37.280 37.074 0.206 1
1 489 . 8 1 1 A 40 40 ASN N N 40 128.749 118.778 9.971 1
1 491 . 8 1 1 A 41 41 GLY H H 41 8.913 8.291 0.622 1
1 492 . 8 1 1 A 41 41 GLY HA2 H 41 4.162 3.994 0.168 1
1 493 . 8 1 1 A 41 41 GLY HA3 H 41 3.625 3.996 -0.371 1
1 494 . 8 1 1 A 41 41 GLY C C 41 173.380 173.826 -0.446 1
1 495 . 8 1 1 A 41 41 GLY CA C 41 45.220 45.164 0.056 1
1 496 . 8 1 1 A 41 41 GLY N N 41 102.811 105.205 -2.394 1
1 497 . 8 1 1 A 42 42 GLU H H 42 7.716 7.953 -0.237 1
1 498 . 8 1 1 A 42 42 GLU HA H 42 4.655 4.436 0.219 1
1 503 . 8 1 1 A 42 42 GLU C C 42 175.300 175.621 -0.321 1
1 504 . 8 1 1 A 42 42 GLU CA C 42 54.190 55.647 -1.457 1
1 505 . 8 1 1 A 42 42 GLU CB C 42 31.770 30.654 1.116 1
1 507 . 8 1 1 A 42 42 GLU N N 42 120.731 120.607 0.124 1
1 508 . 8 1 1 A 43 43 VAL H H 43 8.872 8.476 0.396 1
1 509 . 8 1 1 A 43 43 VAL HA H 43 4.025 4.379 -0.354 1
1 517 . 8 1 1 A 43 43 VAL C C 43 176.260 175.336 0.924 1
1 518 . 8 1 1 A 43 43 VAL CA C 43 64.110 62.342 1.768 1
1 519 . 8 1 1 A 43 43 VAL CB C 43 31.500 32.972 -1.472 1
1 522 . 8 1 1 A 43 43 VAL N N 43 126.800 126.109 0.691 1
1 523 . 8 1 1 A 44 44 LEU H H 44 8.810 8.999 -0.189 1
1 524 . 8 1 1 A 44 44 LEU HA H 44 4.656 4.809 -0.153 1
1 534 . 8 1 1 A 44 44 LEU C C 44 177.620 176.104 1.516 1
1 535 . 8 1 1 A 44 44 LEU CA C 44 53.750 53.754 -0.004 1
1 536 . 8 1 1 A 44 44 LEU CB C 44 44.080 42.706 1.374 1
1 540 . 8 1 1 A 44 44 LEU N N 44 129.200 128.927 0.273 1
1 541 . 8 1 1 A 45 45 GLU H H 45 8.742 8.579 0.163 1
1 542 . 8 1 1 A 45 45 GLU HA H 45 4.465 4.064 0.401 1
1 547 . 8 1 1 A 45 45 GLU C C 45 177.440 177.065 0.375 1
1 548 . 8 1 1 A 45 45 GLU CA C 45 55.270 56.384 -1.114 1
1 549 . 8 1 1 A 45 45 GLU CB C 45 29.830 31.572 -1.742 1
1 551 . 8 1 1 A 45 45 GLU N N 45 122.500 124.812 -2.312 1
1 552 . 8 1 1 A 46 46 ARG H H 46 8.674 8.525 0.149 1
1 553 . 8 1 1 A 46 46 ARG HA H 46 2.384 3.146 -0.762 1
1 560 . 8 1 1 A 46 46 ARG C C 46 179.080 177.831 1.249 1
1 561 . 8 1 1 A 46 46 ARG CA C 46 58.150 58.497 -0.347 1
1 562 . 8 1 1 A 46 46 ARG CB C 46 29.050 29.645 -0.595 1
1 565 . 8 1 1 A 46 46 ARG N N 46 124.600 124.669 -0.069 1
1 566 . 8 1 1 A 47 47 GLU H H 47 9.010 7.612 1.398 1
1 567 . 8 1 1 A 47 47 GLU HA H 47 4.008 3.942 0.066 1
1 572 . 8 1 1 A 47 47 GLU C C 47 176.700 178.200 -1.500 1
1 573 . 8 1 1 A 47 47 GLU CA C 47 58.720 58.742 -0.022 1
1 574 . 8 1 1 A 47 47 GLU CB C 47 28.590 29.042 -0.452 1
1 576 . 8 1 1 A 47 47 GLU N N 47 117.300 119.413 -2.113 1
1 577 . 8 1 1 A 48 48 ALA H H 48 8.011 7.832 0.179 1
1 578 . 8 1 1 A 48 48 ALA HA H 48 4.749 4.089 0.660 1
1 582 . 8 1 1 A 48 48 ALA C C 48 180.070 179.372 0.698 1
1 583 . 8 1 1 A 48 48 ALA CA C 48 51.780 54.105 -2.325 1
1 584 . 8 1 1 A 48 48 ALA CB C 48 19.390 18.559 0.831 1
1 585 . 8 1 1 A 48 48 ALA N N 48 120.200 121.856 -1.656 1
1 586 . 8 1 1 A 49 49 PHE H H 49 8.002 6.892 1.110 1
1 587 . 8 1 1 A 49 49 PHE HA H 49 4.305 4.373 -0.068 1
1 594 . 8 1 1 A 49 49 PHE C C 49 177.710 177.795 -0.085 1
1 595 . 8 1 1 A 49 49 PHE CA C 49 59.969 61.271 -1.302 1
1 596 . 8 1 1 A 49 49 PHE CB C 49 36.820 38.216 -1.396 1
1 601 . 8 1 1 A 49 49 PHE N N 49 123.801 116.028 7.773 1
1 602 . 8 1 1 A 50 50 ASP H H 50 8.558 8.158 0.400 1
1 603 . 8 1 1 A 50 50 ASP HA H 50 4.561 4.750 -0.189 1
1 606 . 8 1 1 A 50 50 ASP C C 50 176.610 177.507 -0.897 1
1 607 . 8 1 1 A 50 50 ASP CA C 50 56.100 56.716 -0.616 1
1 608 . 8 1 1 A 50 50 ASP CB C 50 40.350 40.795 -0.445 1
1 609 . 8 1 1 A 50 50 ASP N N 50 115.500 119.164 -3.664 1
1 610 . 8 1 1 A 51 51 ALA H H 51 7.539 7.402 0.137 1
1 611 . 8 1 1 A 51 51 ALA HA H 51 4.498 4.413 0.085 1
1 615 . 8 1 1 A 51 51 ALA C C 51 177.370 176.273 1.097 1
1 616 . 8 1 1 A 51 51 ALA CA C 51 51.850 52.256 -0.406 1
1 617 . 8 1 1 A 51 51 ALA CB C 51 20.280 19.662 0.618 1
1 618 . 8 1 1 A 51 51 ALA N N 51 119.500 119.625 -0.125 1
1 619 . 8 1 1 A 52 52 THR H H 52 7.503 7.403 0.100 1
1 620 . 8 1 1 A 52 52 THR HA H 52 4.376 4.696 -0.320 1
1 625 . 8 1 1 A 52 52 THR C C 52 172.780 173.895 -1.115 1
1 626 . 8 1 1 A 52 52 THR CA C 52 63.450 61.664 1.786 1
1 627 . 8 1 1 A 52 52 THR CB C 52 69.910 70.112 -0.202 1
1 629 . 8 1 1 A 52 52 THR N N 52 117.700 114.532 3.168 1
1 630 . 8 1 1 A 53 53 THR H H 53 8.354 8.763 -0.409 1
1 631 . 8 1 1 A 53 53 THR HA H 53 4.521 4.653 -0.132 1
1 636 . 8 1 1 A 53 53 THR C C 53 173.000 174.123 -1.123 1
1 637 . 8 1 1 A 53 53 THR CA C 53 62.110 62.397 -0.287 1
1 638 . 8 1 1 A 53 53 THR CB C 53 70.380 70.075 0.305 1
1 640 . 8 1 1 A 53 53 THR N N 53 120.700 122.689 -1.989 1
1 641 . 8 1 1 A 54 54 VAL H H 54 9.223 9.170 0.053 1
1 642 . 8 1 1 A 54 54 VAL HA H 54 4.256 5.075 -0.819 1
1 650 . 8 1 1 A 54 54 VAL C C 54 173.500 174.624 -1.124 1
1 651 . 8 1 1 A 54 54 VAL CA C 54 61.330 60.654 0.676 1
1 652 . 8 1 1 A 54 54 VAL CB C 54 33.090 34.522 -1.432 1
1 655 . 8 1 1 A 54 54 VAL N N 54 126.200 125.586 0.614 1
1 656 . 8 1 1 A 55 55 LYS H H 55 9.074 9.123 -0.049 1
1 657 . 8 1 1 A 55 55 LYS HA H 55 4.847 4.882 -0.035 1
1 666 . 8 1 1 A 55 55 LYS C C 55 174.610 173.867 0.743 1
1 667 . 8 1 1 A 55 55 LYS CA C 55 54.265 54.380 -0.115 1
1 668 . 8 1 1 A 55 55 LYS CB C 55 36.111 34.446 1.665 1
1 672 . 8 1 1 A 55 55 LYS N N 55 124.700 123.455 1.245 1
1 673 . 8 1 1 A 56 56 ASP H H 56 8.111 8.578 -0.467 1
1 674 . 8 1 1 A 56 56 ASP HA H 56 4.553 4.629 -0.076 1
1 677 . 8 1 1 A 56 56 ASP C C 56 177.720 176.596 1.124 1
1 678 . 8 1 1 A 56 56 ASP CA C 56 56.040 53.814 2.226 1
1 679 . 8 1 1 A 56 56 ASP CB C 56 43.070 39.894 3.176 1
1 680 . 8 1 1 A 56 56 ASP N N 56 116.700 121.289 -4.589 1
1 681 . 8 1 1 A 57 57 GLY H H 57 9.330 8.491 0.839 1
1 682 . 8 1 1 A 57 57 GLY HA2 H 57 4.343 4.109 0.234 1
1 683 . 8 1 1 A 57 57 GLY HA3 H 57 3.652 4.110 -0.458 1
1 684 . 8 1 1 A 57 57 GLY C C 57 175.140 173.802 1.338 1
1 685 . 8 1 1 A 57 57 GLY CA C 57 44.869 45.689 -0.820 1
1 686 . 8 1 1 A 57 57 GLY N N 57 113.900 111.860 2.040 1
1 687 . 8 1 1 A 58 58 ASP H H 58 8.104 7.990 0.114 1
1 688 . 8 1 1 A 58 58 ASP HA H 58 4.808 4.996 -0.188 1
1 691 . 8 1 1 A 58 58 ASP C C 58 174.100 174.949 -0.849 1
1 692 . 8 1 1 A 58 58 ASP CA C 58 55.700 52.933 2.767 1
1 693 . 8 1 1 A 58 58 ASP CB C 58 42.080 44.056 -1.976 1
1 694 . 8 1 1 A 58 58 ASP N N 58 122.600 119.908 2.692 1
1 695 . 8 1 1 A 59 59 ALA H H 59 8.326 8.452 -0.126 1
1 696 . 8 1 1 A 59 59 ALA HA H 59 5.208 4.804 0.404 1
1 700 . 8 1 1 A 59 59 ALA C C 59 174.350 176.317 -1.967 1
1 701 . 8 1 1 A 59 59 ALA CA C 59 50.110 51.505 -1.395 1
1 702 . 8 1 1 A 59 59 ALA CB C 59 20.760 17.453 3.307 1
1 703 . 8 1 1 A 59 59 ALA N N 59 121.100 127.451 -6.351 1
1 704 . 8 1 1 A 60 60 VAL H H 60 9.061 8.353 0.708 1
1 705 . 8 1 1 A 60 60 VAL HA H 60 4.117 4.523 -0.406 1
1 713 . 8 1 1 A 60 60 VAL C C 60 174.300 174.543 -0.243 1
1 714 . 8 1 1 A 60 60 VAL CA C 60 61.830 62.117 -0.287 1
1 715 . 8 1 1 A 60 60 VAL CB C 60 33.640 32.554 1.086 1
1 718 . 8 1 1 A 60 60 VAL N N 60 121.800 122.577 -0.777 1
1 719 . 8 1 1 A 61 61 GLU H H 61 9.027 9.234 -0.207 1
1 720 . 8 1 1 A 61 61 GLU HA H 61 4.778 4.830 -0.052 1
1 725 . 8 1 1 A 61 61 GLU C C 61 176.200 175.266 0.934 1
1 726 . 8 1 1 A 61 61 GLU CA C 61 54.152 55.874 -1.722 1
1 727 . 8 1 1 A 61 61 GLU CB C 61 32.477 30.578 1.899 1
1 729 . 8 1 1 A 61 61 GLU N N 61 123.900 128.317 -4.417 1
1 730 . 8 1 1 A 62 62 PHE H H 62 9.075 9.203 -0.128 1
1 731 . 8 1 1 A 62 62 PHE HA H 62 5.317 5.109 0.208 1
1 739 . 8 1 1 A 62 62 PHE C C 62 174.490 175.654 -1.164 1
1 740 . 8 1 1 A 62 62 PHE CA C 62 54.910 57.056 -2.146 1
1 741 . 8 1 1 A 62 62 PHE CB C 62 39.640 40.608 -0.968 1
1 747 . 8 1 1 A 62 62 PHE N N 62 122.000 123.165 -1.165 1
1 748 . 8 1 1 A 63 63 LEU H H 63 8.996 8.575 0.421 1
1 749 . 8 1 1 A 63 63 LEU HA H 63 4.643 4.776 -0.133 1
1 759 . 8 1 1 A 63 63 LEU C C 63 175.030 175.431 -0.401 1
1 760 . 8 1 1 A 63 63 LEU CA C 63 53.630 52.898 0.732 1
1 761 . 8 1 1 A 63 63 LEU CB C 63 44.680 45.108 -0.428 1
1 765 . 8 1 1 A 63 63 LEU N N 63 125.000 119.925 5.075 1
1 766 . 8 1 1 A 64 64 TYR H H 64 8.669 8.185 0.484 1
1 767 . 8 1 1 A 64 64 TYR HA H 64 4.758 3.974 0.784 1
1 774 . 8 1 1 A 64 64 TYR C C 64 175.630 175.370 0.260 1
1 775 . 8 1 1 A 64 64 TYR CA C 64 57.460 59.913 -2.453 1
1 776 . 8 1 1 A 64 64 TYR CB C 64 39.690 36.089 3.601 1
1 781 . 8 1 1 A 64 64 TYR N N 64 120.100 117.137 2.963 1
1 782 . 8 1 1 A 65 65 PHE H H 65 8.688 8.400 0.288 1
1 783 . 8 1 1 A 65 65 PHE HA H 65 4.777 4.739 0.038 1
1 791 . 8 1 1 A 65 65 PHE C C 65 175.940 174.777 1.163 1
1 792 . 8 1 1 A 65 65 PHE CA C 65 57.325 57.496 -0.171 1
1 793 . 8 1 1 A 65 65 PHE CB C 65 39.340 39.723 -0.383 1
1 799 . 8 1 1 A 65 65 PHE N N 65 122.100 118.705 3.395 1
1 800 . 8 1 1 A 66 66 MET H H 66 8.611 8.210 0.401 1
1 801 . 8 1 1 A 66 66 MET HA H 66 4.537 4.294 0.243 1
1 806 . 8 1 1 A 66 66 MET C C 66 176.630 176.460 0.170 1
1 807 . 8 1 1 A 66 66 MET CA C 66 55.370 56.476 -1.106 1
1 808 . 8 1 1 A 66 66 MET CB C 66 32.710 31.444 1.266 1
1 810 . 8 1 1 A 66 66 MET N N 66 121.700 115.334 6.366 1
1 811 . 8 1 1 A 67 67 GLY H H 67 8.213 8.573 -0.360 1
1 812 . 8 1 1 A 67 67 GLY HA2 H 67 3.928 4.121 -0.193 1
1 813 . 8 1 1 A 67 67 GLY HA3 H 67 3.928 4.280 -0.352 1
1 814 . 8 1 1 A 67 67 GLY C C 67 174.800 173.650 1.150 1
1 815 . 8 1 1 A 67 67 GLY CA C 67 45.359 45.638 -0.279 1
1 816 . 8 1 1 A 67 67 GLY N N 67 109.600 112.394 -2.794 1
1 817 . 8 1 1 A 68 68 GLY H H 68 8.353 8.174 0.179 1
1 818 . 8 1 1 A 68 68 GLY HA2 H 68 4.862 4.075 0.787 1
1 819 . 8 1 1 A 68 68 GLY HA3 H 68 4.861 4.075 0.786 1
1 820 . 8 1 1 A 68 68 GLY C C 68 174.760 174.300 0.460 1
1 821 . 8 1 1 A 68 68 GLY CA C 68 45.402 46.588 -1.186 1
1 822 . 8 1 1 A 68 68 GLY N N 68 108.600 107.812 0.788 1
1 823 . 8 1 1 A 69 69 GLY H H 69 8.406 8.843 -0.437 1
1 824 . 8 1 1 A 69 69 GLY HA2 H 69 3.953 3.853 0.100 1
1 825 . 8 1 1 A 69 69 GLY HA3 H 69 3.953 3.860 0.093 1
1 826 . 8 1 1 A 69 69 GLY C C 69 174.070 173.296 0.774 1
1 827 . 8 1 1 A 69 69 GLY CA C 69 45.242 46.099 -0.857 1
1 828 . 8 1 1 A 69 69 GLY N N 69 109.100 111.924 -2.824 1
1 829 . 8 1 1 A 70 70 LYS H H 70 8.153 7.302 0.851 1
1 830 . 8 1 1 A 70 70 LYS HA H 70 4.255 4.973 -0.718 1
1 839 . 8 1 1 A 70 70 LYS C C 70 176.490 174.872 1.618 1
1 840 . 8 1 1 A 70 70 LYS CA C 70 56.370 54.460 1.910 1
1 841 . 8 1 1 A 70 70 LYS CB C 70 33.130 36.936 -3.806 1
1 845 . 8 1 1 A 70 70 LYS N N 70 120.500 117.848 2.652 1
1 846 . 8 1 1 A 71 71 LEU H H 71 8.253 8.634 -0.381 1
1 847 . 8 1 1 A 71 71 LEU HA H 71 4.285 5.017 -0.732 1
1 857 . 8 1 1 A 71 71 LEU C C 71 177.110 174.842 2.268 1
1 858 . 8 1 1 A 71 71 LEU CA C 71 55.120 53.302 1.818 1
1 859 . 8 1 1 A 71 71 LEU CB C 71 42.236 45.409 -3.173 1
1 863 . 8 1 1 A 71 71 LEU N N 71 122.905 118.765 4.140 1
1 864 . 8 1 1 A 72 72 GLU H H 72 8.343 8.509 -0.166 1
1 865 . 8 1 1 A 72 72 GLU HA H 72 4.238 4.294 -0.056 1
1 870 . 8 1 1 A 72 72 GLU C C 72 176.100 175.484 0.616 1
1 871 . 8 1 1 A 72 72 GLU CA C 72 56.760 56.414 0.346 1
1 872 . 8 1 1 A 72 72 GLU CB C 72 30.619 29.941 0.678 1
1 874 . 8 1 1 A 72 72 GLU N N 72 121.500 123.189 -1.689 1
1 875 . 8 1 1 A 73 73 HIS H H 73 8.404 8.553 -0.149 1
1 876 . 8 1 1 A 73 73 HIS HA H 73 4.593 5.045 -0.452 1
1 879 . 8 1 1 A 73 73 HIS C C 73 173.840 174.617 -0.777 1
1 880 . 8 1 1 A 73 73 HIS CA C 73 55.777 54.837 0.940 1
1 881 . 8 1 1 A 73 73 HIS CB C 73 30.080 30.606 -0.526 1
1 882 . 8 1 1 A 73 73 HIS N N 73 119.733 126.466 -6.733 1
1 883 . 8 1 1 A 74 74 HIS H H 74 8.213 8.526 -0.313 1
1 884 . 8 1 1 A 74 74 HIS CA C 74 57.175 55.767 1.408 1
1 885 . 8 1 1 A 74 74 HIS CB C 74 30.671 29.039 1.632 1
1 9 . 9 1 1 A 2 2 ASN H H 2 9.645 8.718 0.927 1
1 10 . 9 1 1 A 2 2 ASN HA H 2 5.430 5.056 0.374 1
1 15 . 9 1 1 A 2 2 ASN CA C 2 52.761 53.131 -0.370 1
1 16 . 9 1 1 A 2 2 ASN CB C 2 40.140 39.241 0.899 1
1 17 . 9 1 1 A 2 2 ASN N N 2 125.300 122.336 2.964 1
1 19 . 9 1 1 A 3 3 LEU H H 3 8.769 8.856 -0.087 1
1 20 . 9 1 1 A 3 3 LEU HA H 3 4.949 5.048 -0.099 1
1 30 . 9 1 1 A 3 3 LEU C C 3 176.320 175.889 0.431 1
1 31 . 9 1 1 A 3 3 LEU CA C 3 54.223 53.492 0.731 1
1 32 . 9 1 1 A 3 3 LEU CB C 3 45.941 45.194 0.747 1
1 36 . 9 1 1 A 3 3 LEU N N 3 121.800 125.610 -3.810 1
1 37 . 9 1 1 A 4 4 THR H H 4 8.329 9.063 -0.734 1
1 38 . 9 1 1 A 4 4 THR HA H 4 4.744 4.820 -0.076 1
1 43 . 9 1 1 A 4 4 THR C C 4 173.650 173.916 -0.266 1
1 44 . 9 1 1 A 4 4 THR CA C 4 62.150 61.940 0.210 1
1 45 . 9 1 1 A 4 4 THR CB C 4 69.430 67.385 2.045 1
1 47 . 9 1 1 A 4 4 THR N N 4 116.200 120.016 -3.816 1
1 48 . 9 1 1 A 5 5 VAL H H 5 8.955 8.377 0.578 1
1 49 . 9 1 1 A 5 5 VAL HA H 5 4.683 4.569 0.114 1
1 57 . 9 1 1 A 5 5 VAL C C 5 176.470 176.460 0.010 1
1 58 . 9 1 1 A 5 5 VAL CA C 5 60.724 61.741 -1.017 1
1 59 . 9 1 1 A 5 5 VAL CB C 5 33.590 32.674 0.916 1
1 62 . 9 1 1 A 5 5 VAL N N 5 126.000 126.478 -0.478 1
1 63 . 9 1 1 A 6 6 ASN H H 6 9.534 9.615 -0.081 1
1 64 . 9 1 1 A 6 6 ASN HA H 6 4.636 4.495 0.141 1
1 69 . 9 1 1 A 6 6 ASN C C 6 175.900 175.551 0.349 1
1 70 . 9 1 1 A 6 6 ASN CA C 6 54.150 54.471 -0.321 1
1 71 . 9 1 1 A 6 6 ASN CB C 6 36.410 36.956 -0.546 1
1 72 . 9 1 1 A 6 6 ASN N N 6 129.400 126.265 3.135 1
1 74 . 9 1 1 A 7 7 GLY H H 7 8.915 8.660 0.255 1
1 75 . 9 1 1 A 7 7 GLY HA2 H 7 4.170 3.879 0.291 1
1 76 . 9 1 1 A 7 7 GLY HA3 H 7 3.485 3.882 -0.397 1
1 77 . 9 1 1 A 7 7 GLY C C 7 173.950 173.817 0.133 1
1 78 . 9 1 1 A 7 7 GLY CA C 7 45.337 45.526 -0.189 1
1 79 . 9 1 1 A 7 7 GLY N N 7 102.200 104.961 -2.761 1
1 80 . 9 1 1 A 8 8 LYS H H 8 7.900 8.136 -0.236 1
1 81 . 9 1 1 A 8 8 LYS HA H 8 4.987 4.852 0.135 1
1 90 . 9 1 1 A 8 8 LYS CA C 8 52.940 53.116 -0.176 1
1 91 . 9 1 1 A 8 8 LYS CB C 8 34.010 33.888 0.122 1
1 95 . 9 1 1 A 8 8 LYS N N 8 121.700 121.172 0.528 1
1 96 . 9 1 1 A 9 9 PRO HA H 9 4.700 4.773 -0.073 1
1 103 . 9 1 1 A 9 9 PRO C C 9 176.900 175.255 1.645 1
1 104 . 9 1 1 A 9 9 PRO CA C 9 63.990 62.848 1.142 1
1 105 . 9 1 1 A 9 9 PRO CB C 9 32.000 31.751 0.249 1
1 108 . 9 1 1 A 10 10 SER H H 10 8.970 8.854 0.116 1
1 109 . 9 1 1 A 10 10 SER HA H 10 4.822 4.962 -0.140 1
1 112 . 9 1 1 A 10 10 SER C C 10 172.800 172.060 0.740 1
1 113 . 9 1 1 A 10 10 SER CA C 10 57.880 56.310 1.570 1
1 114 . 9 1 1 A 10 10 SER CB C 10 66.361 65.166 1.195 1
1 115 . 9 1 1 A 10 10 SER N N 10 120.300 118.092 2.208 1
1 116 . 9 1 1 A 11 11 THR H H 11 8.590 8.764 -0.174 1
1 117 . 9 1 1 A 11 11 THR HA H 11 5.163 4.858 0.305 1
1 122 . 9 1 1 A 11 11 THR C C 11 173.720 172.222 1.498 1
1 123 . 9 1 1 A 11 11 THR CA C 11 61.380 60.846 0.534 1
1 124 . 9 1 1 A 11 11 THR CB C 11 71.950 71.285 0.665 1
1 126 . 9 1 1 A 11 11 THR N N 11 120.191 116.295 3.896 1
1 127 . 9 1 1 A 12 12 VAL H H 12 8.563 8.299 0.264 1
1 128 . 9 1 1 A 12 12 VAL HA H 12 4.172 4.753 -0.581 1
1 136 . 9 1 1 A 12 12 VAL C C 12 175.380 175.376 0.004 1
1 137 . 9 1 1 A 12 12 VAL CA C 12 61.350 60.883 0.467 1
1 138 . 9 1 1 A 12 12 VAL CB C 12 33.053 32.292 0.761 1
1 141 . 9 1 1 A 12 12 VAL N N 12 125.000 123.562 1.438 1
1 142 . 9 1 1 A 13 13 ASP H H 13 8.878 8.979 -0.101 1
1 143 . 9 1 1 A 13 13 ASP HA H 13 4.501 4.509 -0.008 1
1 146 . 9 1 1 A 13 13 ASP C C 13 177.180 176.773 0.407 1
1 147 . 9 1 1 A 13 13 ASP CA C 13 55.120 54.413 0.707 1
1 148 . 9 1 1 A 13 13 ASP CB C 13 41.450 40.314 1.136 1
1 149 . 9 1 1 A 13 13 ASP N N 13 128.300 122.644 5.656 1
1 150 . 9 1 1 A 14 14 GLY H H 14 8.697 8.837 -0.140 1
1 151 . 9 1 1 A 14 14 GLY HA2 H 14 4.076 3.880 0.196 1
1 152 . 9 1 1 A 14 14 GLY HA3 H 14 3.719 3.880 -0.161 1
1 153 . 9 1 1 A 14 14 GLY C C 14 173.244 174.608 -1.364 1
1 154 . 9 1 1 A 14 14 GLY CA C 14 45.887 45.860 0.027 1
1 155 . 9 1 1 A 14 14 GLY N N 14 109.900 109.901 -0.001 1
1 156 . 9 1 1 A 15 15 ALA H H 15 7.360 7.262 0.098 1
1 157 . 9 1 1 A 15 15 ALA HA H 15 4.601 4.155 0.446 1
1 161 . 9 1 1 A 15 15 ALA C C 15 176.240 177.957 -1.717 1
1 162 . 9 1 1 A 15 15 ALA CA C 15 51.370 52.653 -1.283 1
1 163 . 9 1 1 A 15 15 ALA CB C 15 20.970 19.407 1.563 1
1 164 . 9 1 1 A 15 15 ALA N N 15 121.213 123.693 -2.480 1
1 165 . 9 1 1 A 16 16 GLU H H 16 8.967 8.766 0.201 1
1 166 . 9 1 1 A 16 16 GLU HA H 16 4.406 4.245 0.161 1
1 171 . 9 1 1 A 16 16 GLU C C 16 175.800 176.660 -0.860 1
1 172 . 9 1 1 A 16 16 GLU CA C 16 57.170 58.828 -1.658 1
1 173 . 9 1 1 A 16 16 GLU CB C 16 30.700 30.455 0.245 1
1 175 . 9 1 1 A 16 16 GLU N N 16 120.800 123.907 -3.107 1
1 176 . 9 1 1 A 17 17 SER H H 17 7.587 8.019 -0.432 1
1 177 . 9 1 1 A 17 17 SER HA H 17 4.891 5.086 -0.195 1
1 180 . 9 1 1 A 17 17 SER C C 17 172.400 173.351 -0.951 1
1 181 . 9 1 1 A 17 17 SER CA C 17 57.797 56.829 0.968 1
1 182 . 9 1 1 A 17 17 SER CB C 17 64.571 65.650 -1.079 1
1 183 . 9 1 1 A 17 17 SER N N 17 111.600 110.966 0.634 1
1 184 . 9 1 1 A 18 18 LEU H H 18 8.285 8.830 -0.545 1
1 185 . 9 1 1 A 18 18 LEU HA H 18 4.810 4.903 -0.093 1
1 195 . 9 1 1 A 18 18 LEU C C 18 175.800 176.416 -0.616 1
1 196 . 9 1 1 A 18 18 LEU CA C 18 54.230 53.650 0.580 1
1 197 . 9 1 1 A 18 18 LEU CB C 18 47.430 45.291 2.139 1
1 201 . 9 1 1 A 18 18 LEU N N 18 122.165 125.898 -3.733 1
1 202 . 9 1 1 A 19 19 ASN H H 19 8.920 8.688 0.232 1
1 203 . 9 1 1 A 19 19 ASN HA H 19 5.768 5.110 0.658 1
1 208 . 9 1 1 A 19 19 ASN C C 19 176.170 176.839 -0.669 1
1 209 . 9 1 1 A 19 19 ASN CA C 19 51.650 53.699 -2.049 1
1 210 . 9 1 1 A 19 19 ASN CB C 19 38.430 39.919 -1.489 1
1 211 . 9 1 1 A 19 19 ASN N N 19 118.700 120.565 -1.865 1
1 213 . 9 1 1 A 20 20 VAL H H 20 7.805 8.889 -1.084 1
1 214 . 9 1 1 A 20 20 VAL HA H 20 3.297 3.680 -0.383 1
1 222 . 9 1 1 A 20 20 VAL C C 20 176.770 177.404 -0.634 1
1 223 . 9 1 1 A 20 20 VAL CA C 20 67.360 66.112 1.248 1
1 224 . 9 1 1 A 20 20 VAL CB C 20 30.940 31.551 -0.611 1
1 227 . 9 1 1 A 20 20 VAL N N 20 117.900 122.627 -4.727 1
1 228 . 9 1 1 A 21 21 THR H H 21 7.230 8.275 -1.045 1
1 229 . 9 1 1 A 21 21 THR HA H 21 3.665 3.908 -0.243 1
1 234 . 9 1 1 A 21 21 THR C C 21 177.360 176.220 1.140 1
1 235 . 9 1 1 A 21 21 THR CA C 21 67.077 67.429 -0.352 1
1 236 . 9 1 1 A 21 21 THR CB C 21 68.460 68.667 -0.207 1
1 238 . 9 1 1 A 21 21 THR N N 21 117.400 117.252 0.148 1
1 239 . 9 1 1 A 22 22 GLU H H 22 8.750 8.382 0.368 1
1 240 . 9 1 1 A 22 22 GLU HA H 22 4.046 4.018 0.028 1
1 245 . 9 1 1 A 22 22 GLU C C 22 179.910 179.236 0.674 1
1 246 . 9 1 1 A 22 22 GLU CA C 22 58.550 59.337 -0.787 1
1 247 . 9 1 1 A 22 22 GLU CB C 22 30.550 29.063 1.487 1
1 249 . 9 1 1 A 22 22 GLU N N 22 121.238 119.993 1.245 1
1 250 . 9 1 1 A 23 23 LEU H H 23 8.766 8.314 0.452 1
1 251 . 9 1 1 A 23 23 LEU HA H 23 3.935 4.135 -0.200 1
1 261 . 9 1 1 A 23 23 LEU C C 23 177.800 178.359 -0.559 1
1 262 . 9 1 1 A 23 23 LEU CA C 23 58.240 58.294 -0.054 1
1 263 . 9 1 1 A 23 23 LEU CB C 23 41.844 41.338 0.506 1
1 267 . 9 1 1 A 23 23 LEU N N 23 123.900 122.144 1.756 1
1 268 . 9 1 1 A 24 24 LEU H H 24 8.305 8.484 -0.179 1
1 269 . 9 1 1 A 24 24 LEU HA H 24 3.690 4.016 -0.326 1
1 279 . 9 1 1 A 24 24 LEU C C 24 179.620 179.244 0.376 1
1 280 . 9 1 1 A 24 24 LEU CA C 24 58.010 58.004 0.006 1
1 281 . 9 1 1 A 24 24 LEU CB C 24 41.320 41.875 -0.555 1
1 285 . 9 1 1 A 24 24 LEU N N 24 117.100 119.188 -2.088 1
1 286 . 9 1 1 A 25 25 SER H H 25 7.226 7.893 -0.667 1
1 287 . 9 1 1 A 25 25 SER HA H 25 4.304 4.290 0.014 1
1 290 . 9 1 1 A 25 25 SER C C 25 178.100 176.265 1.835 1
1 291 . 9 1 1 A 25 25 SER CA C 25 60.900 61.633 -0.733 1
1 292 . 9 1 1 A 25 25 SER CB C 25 62.850 63.257 -0.407 1
1 293 . 9 1 1 A 25 25 SER N N 25 111.500 115.388 -3.888 1
1 294 . 9 1 1 A 26 26 ALA H H 26 8.712 8.294 0.418 1
1 295 . 9 1 1 A 26 26 ALA HA H 26 4.138 4.145 -0.007 1
1 299 . 9 1 1 A 26 26 ALA C C 26 180.000 179.607 0.393 1
1 300 . 9 1 1 A 26 26 ALA CA C 26 55.180 54.623 0.557 1
1 301 . 9 1 1 A 26 26 ALA CB C 26 18.200 18.612 -0.412 1
1 302 . 9 1 1 A 26 26 ALA N N 26 126.100 123.593 2.507 1
1 303 . 9 1 1 A 27 27 LEU H H 27 8.050 8.183 -0.133 1
1 304 . 9 1 1 A 27 27 LEU HA H 27 4.314 4.233 0.081 1
1 314 . 9 1 1 A 27 27 LEU C C 27 175.810 176.348 -0.538 1
1 315 . 9 1 1 A 27 27 LEU CA C 27 54.307 56.594 -2.287 1
1 316 . 9 1 1 A 27 27 LEU CB C 27 42.021 42.795 -0.774 1
1 320 . 9 1 1 A 27 27 LEU N N 27 114.250 119.076 -4.826 1
1 321 . 9 1 1 A 28 28 LYS H H 28 7.766 7.858 -0.092 1
1 322 . 9 1 1 A 28 28 LYS HA H 28 3.869 3.894 -0.025 1
1 331 . 9 1 1 A 28 28 LYS C C 28 176.030 175.159 0.871 1
1 332 . 9 1 1 A 28 28 LYS CA C 28 56.630 57.005 -0.375 1
1 333 . 9 1 1 A 28 28 LYS CB C 28 28.893 30.061 -1.168 1
1 337 . 9 1 1 A 28 28 LYS N N 28 117.700 117.997 -0.297 1
1 338 . 9 1 1 A 29 29 VAL H H 29 7.583 7.806 -0.223 1
1 339 . 9 1 1 A 29 29 VAL HA H 29 3.520 4.399 -0.879 1
1 347 . 9 1 1 A 29 29 VAL C C 29 176.410 175.087 1.323 1
1 348 . 9 1 1 A 29 29 VAL CA C 29 63.741 61.321 2.420 1
1 349 . 9 1 1 A 29 29 VAL CB C 29 31.840 33.465 -1.625 1
1 352 . 9 1 1 A 29 29 VAL N N 29 119.200 119.313 -0.113 1
1 353 . 9 1 1 A 30 30 ALA H H 30 8.543 8.646 -0.103 1
1 354 . 9 1 1 A 30 30 ALA HA H 30 4.215 4.368 -0.153 1
1 358 . 9 1 1 A 30 30 ALA C C 30 177.710 178.084 -0.374 1
1 359 . 9 1 1 A 30 30 ALA CA C 30 52.330 52.304 0.026 1
1 360 . 9 1 1 A 30 30 ALA CB C 30 19.170 19.660 -0.490 1
1 361 . 9 1 1 A 30 30 ALA N N 30 131.100 129.667 1.433 1
1 362 . 9 1 1 A 31 31 GLN H H 31 8.982 9.059 -0.077 1
1 363 . 9 1 1 A 31 31 GLN HA H 31 4.162 4.167 -0.005 1
1 370 . 9 1 1 A 31 31 GLN C C 31 176.670 176.483 0.187 1
1 371 . 9 1 1 A 31 31 GLN CA C 31 56.100 57.093 -0.993 1
1 372 . 9 1 1 A 31 31 GLN CB C 31 27.390 26.242 1.148 1
1 374 . 9 1 1 A 31 31 GLN N N 31 117.300 116.727 0.573 1
1 376 . 9 1 1 A 32 32 ALA H H 32 8.029 7.925 0.104 1
1 377 . 9 1 1 A 32 32 ALA HA H 32 3.738 4.059 -0.321 1
1 381 . 9 1 1 A 32 32 ALA C C 32 178.700 179.089 -0.389 1
1 382 . 9 1 1 A 32 32 ALA CA C 32 55.010 55.432 -0.422 1
1 383 . 9 1 1 A 32 32 ALA CB C 32 18.647 18.577 0.070 1
1 384 . 9 1 1 A 32 32 ALA N N 32 119.900 120.985 -1.085 1
1 385 . 9 1 1 A 33 33 GLU H H 33 9.338 7.894 1.444 1
1 386 . 9 1 1 A 33 33 GLU HA H 33 4.037 3.711 0.326 1
1 391 . 9 1 1 A 33 33 GLU C C 33 176.370 176.841 -0.471 1
1 392 . 9 1 1 A 33 33 GLU CA C 33 58.280 58.253 0.027 1
1 393 . 9 1 1 A 33 33 GLU CB C 33 28.670 28.851 -0.181 1
1 395 . 9 1 1 A 33 33 GLU N N 33 116.800 118.754 -1.954 1
1 396 . 9 1 1 A 34 34 TYR H H 34 8.063 8.072 -0.009 1
1 397 . 9 1 1 A 34 34 TYR HA H 34 4.820 4.797 0.023 1
1 404 . 9 1 1 A 34 34 TYR C C 34 175.460 175.637 -0.177 1
1 405 . 9 1 1 A 34 34 TYR CA C 34 56.800 57.607 -0.807 1
1 406 . 9 1 1 A 34 34 TYR CB C 34 39.810 39.280 0.530 1
1 411 . 9 1 1 A 34 34 TYR N N 34 116.100 117.220 -1.120 1
1 412 . 9 1 1 A 35 35 VAL H H 35 7.330 7.247 0.083 1
1 413 . 9 1 1 A 35 35 VAL HA H 35 4.689 4.436 0.253 1
1 421 . 9 1 1 A 35 35 VAL C C 35 173.700 175.591 -1.891 1
1 422 . 9 1 1 A 35 35 VAL CA C 35 61.550 62.521 -0.971 1
1 423 . 9 1 1 A 35 35 VAL CB C 35 33.650 32.946 0.704 1
1 426 . 9 1 1 A 35 35 VAL N N 35 121.200 121.639 -0.439 1
1 427 . 9 1 1 A 36 36 THR H H 36 8.879 8.204 0.675 1
1 428 . 9 1 1 A 36 36 THR HA H 36 4.696 4.930 -0.234 1
1 433 . 9 1 1 A 36 36 THR C C 36 172.930 173.903 -0.973 1
1 434 . 9 1 1 A 36 36 THR CA C 36 62.300 62.005 0.295 1
1 435 . 9 1 1 A 36 36 THR CB C 36 70.500 69.324 1.176 1
1 437 . 9 1 1 A 36 36 THR N N 36 126.800 122.842 3.958 1
1 438 . 9 1 1 A 37 37 VAL H H 37 9.616 8.993 0.623 1
1 439 . 9 1 1 A 37 37 VAL HA H 37 5.072 4.850 0.222 1
1 447 . 9 1 1 A 37 37 VAL C C 37 174.820 174.525 0.295 1
1 448 . 9 1 1 A 37 37 VAL CA C 37 59.440 59.100 0.340 1
1 449 . 9 1 1 A 37 37 VAL CB C 37 35.270 34.912 0.358 1
1 452 . 9 1 1 A 37 37 VAL N N 37 127.600 119.615 7.985 1
1 453 . 9 1 1 A 38 38 GLU H H 38 8.934 8.718 0.216 1
1 454 . 9 1 1 A 38 38 GLU HA H 38 5.059 4.832 0.227 1
1 459 . 9 1 1 A 38 38 GLU C C 38 174.850 174.985 -0.135 1
1 460 . 9 1 1 A 38 38 GLU CA C 38 53.989 55.108 -1.119 1
1 461 . 9 1 1 A 38 38 GLU CB C 38 32.599 30.974 1.625 1
1 463 . 9 1 1 A 38 38 GLU N N 38 126.700 123.974 2.726 1
1 464 . 9 1 1 A 39 39 LEU H H 39 9.004 8.916 0.088 1
1 465 . 9 1 1 A 39 39 LEU HA H 39 5.082 4.373 0.709 1
1 474 . 9 1 1 A 39 39 LEU C C 39 175.890 176.878 -0.988 1
1 475 . 9 1 1 A 39 39 LEU CA C 39 53.030 54.418 -1.388 1
1 476 . 9 1 1 A 39 39 LEU CB C 39 45.640 42.489 3.151 1
1 479 . 9 1 1 A 39 39 LEU N N 39 128.700 125.893 2.807 1
1 480 . 9 1 1 A 40 40 ASN H H 40 10.210 9.684 0.526 1
1 481 . 9 1 1 A 40 40 ASN HA H 40 4.495 4.429 0.066 1
1 486 . 9 1 1 A 40 40 ASN C C 40 175.620 175.325 0.295 1
1 487 . 9 1 1 A 40 40 ASN CA C 40 54.540 54.472 0.068 1
1 488 . 9 1 1 A 40 40 ASN CB C 40 37.280 37.050 0.230 1
1 489 . 9 1 1 A 40 40 ASN N N 40 128.749 125.677 3.072 1
1 491 . 9 1 1 A 41 41 GLY H H 41 8.913 8.311 0.602 1
1 492 . 9 1 1 A 41 41 GLY HA2 H 41 4.162 3.846 0.316 1
1 493 . 9 1 1 A 41 41 GLY HA3 H 41 3.625 3.851 -0.226 1
1 494 . 9 1 1 A 41 41 GLY C C 41 173.380 173.462 -0.082 1
1 495 . 9 1 1 A 41 41 GLY CA C 41 45.220 45.275 -0.055 1
1 496 . 9 1 1 A 41 41 GLY N N 41 102.811 104.666 -1.855 1
1 497 . 9 1 1 A 42 42 GLU H H 42 7.716 7.741 -0.025 1
1 498 . 9 1 1 A 42 42 GLU HA H 42 4.655 4.638 0.017 1
1 503 . 9 1 1 A 42 42 GLU C C 42 175.300 175.605 -0.305 1
1 504 . 9 1 1 A 42 42 GLU CA C 42 54.190 54.884 -0.694 1
1 505 . 9 1 1 A 42 42 GLU CB C 42 31.770 31.755 0.015 1
1 507 . 9 1 1 A 42 42 GLU N N 42 120.731 120.814 -0.083 1
1 508 . 9 1 1 A 43 43 VAL H H 43 8.872 8.507 0.365 1
1 509 . 9 1 1 A 43 43 VAL HA H 43 4.025 3.985 0.040 1
1 517 . 9 1 1 A 43 43 VAL C C 43 176.260 175.974 0.286 1
1 518 . 9 1 1 A 43 43 VAL CA C 43 64.110 62.763 1.347 1
1 519 . 9 1 1 A 43 43 VAL CB C 43 31.500 32.939 -1.439 1
1 522 . 9 1 1 A 43 43 VAL N N 43 126.800 127.962 -1.162 1
1 523 . 9 1 1 A 44 44 LEU H H 44 8.810 7.983 0.827 1
1 524 . 9 1 1 A 44 44 LEU HA H 44 4.656 4.586 0.070 1
1 534 . 9 1 1 A 44 44 LEU C C 44 177.620 177.071 0.549 1
1 535 . 9 1 1 A 44 44 LEU CA C 44 53.750 53.371 0.379 1
1 536 . 9 1 1 A 44 44 LEU CB C 44 44.080 42.810 1.270 1
1 540 . 9 1 1 A 44 44 LEU N N 44 129.200 128.157 1.043 1
1 541 . 9 1 1 A 45 45 GLU H H 45 8.742 8.818 -0.076 1
1 542 . 9 1 1 A 45 45 GLU HA H 45 4.465 4.463 0.002 1
1 547 . 9 1 1 A 45 45 GLU C C 45 177.440 178.187 -0.747 1
1 548 . 9 1 1 A 45 45 GLU CA C 45 55.270 56.454 -1.184 1
1 549 . 9 1 1 A 45 45 GLU CB C 45 29.830 30.640 -0.810 1
1 551 . 9 1 1 A 45 45 GLU N N 45 122.500 120.956 1.544 1
1 552 . 9 1 1 A 46 46 ARG H H 46 8.674 9.095 -0.421 1
1 553 . 9 1 1 A 46 46 ARG HA H 46 2.384 4.040 -1.656 1
1 560 . 9 1 1 A 46 46 ARG C C 46 179.080 177.824 1.256 1
1 561 . 9 1 1 A 46 46 ARG CA C 46 58.150 60.056 -1.906 1
1 562 . 9 1 1 A 46 46 ARG CB C 46 29.050 30.141 -1.091 1
1 565 . 9 1 1 A 46 46 ARG N N 46 124.600 124.310 0.290 1
1 566 . 9 1 1 A 47 47 GLU H H 47 9.010 8.331 0.679 1
1 567 . 9 1 1 A 47 47 GLU HA H 47 4.008 4.207 -0.199 1
1 572 . 9 1 1 A 47 47 GLU C C 47 176.700 178.542 -1.842 1
1 573 . 9 1 1 A 47 47 GLU CA C 47 58.720 57.227 1.493 1
1 574 . 9 1 1 A 47 47 GLU CB C 47 28.590 29.823 -1.233 1
1 576 . 9 1 1 A 47 47 GLU N N 47 117.300 116.399 0.901 1
1 577 . 9 1 1 A 48 48 ALA H H 48 8.011 8.014 -0.003 1
1 578 . 9 1 1 A 48 48 ALA HA H 48 4.749 4.122 0.627 1
1 582 . 9 1 1 A 48 48 ALA C C 48 180.070 179.622 0.448 1
1 583 . 9 1 1 A 48 48 ALA CA C 48 51.780 54.934 -3.154 1
1 584 . 9 1 1 A 48 48 ALA CB C 48 19.390 18.200 1.190 1
1 585 . 9 1 1 A 48 48 ALA N N 48 120.200 124.811 -4.611 1
1 586 . 9 1 1 A 49 49 PHE H H 49 8.002 8.253 -0.251 1
1 587 . 9 1 1 A 49 49 PHE HA H 49 4.305 4.361 -0.056 1
1 594 . 9 1 1 A 49 49 PHE C C 49 177.710 177.881 -0.171 1
1 595 . 9 1 1 A 49 49 PHE CA C 49 59.969 61.369 -1.400 1
1 596 . 9 1 1 A 49 49 PHE CB C 49 36.820 38.154 -1.334 1
1 601 . 9 1 1 A 49 49 PHE N N 49 123.801 116.434 7.367 1
1 602 . 9 1 1 A 50 50 ASP H H 50 8.558 8.166 0.392 1
1 603 . 9 1 1 A 50 50 ASP HA H 50 4.561 4.417 0.144 1
1 606 . 9 1 1 A 50 50 ASP C C 50 176.610 177.876 -1.266 1
1 607 . 9 1 1 A 50 50 ASP CA C 50 56.100 57.455 -1.355 1
1 608 . 9 1 1 A 50 50 ASP CB C 50 40.350 41.068 -0.718 1
1 609 . 9 1 1 A 50 50 ASP N N 50 115.500 119.915 -4.415 1
1 610 . 9 1 1 A 51 51 ALA H H 51 7.539 7.591 -0.052 1
1 611 . 9 1 1 A 51 51 ALA HA H 51 4.498 4.357 0.141 1
1 615 . 9 1 1 A 51 51 ALA C C 51 177.370 176.648 0.722 1
1 616 . 9 1 1 A 51 51 ALA CA C 51 51.850 52.396 -0.546 1
1 617 . 9 1 1 A 51 51 ALA CB C 51 20.280 19.515 0.765 1
1 618 . 9 1 1 A 51 51 ALA N N 51 119.500 119.434 0.066 1
1 619 . 9 1 1 A 52 52 THR H H 52 7.503 7.527 -0.024 1
1 620 . 9 1 1 A 52 52 THR HA H 52 4.376 4.630 -0.254 1
1 625 . 9 1 1 A 52 52 THR C C 52 172.780 173.840 -1.060 1
1 626 . 9 1 1 A 52 52 THR CA C 52 63.450 61.616 1.834 1
1 627 . 9 1 1 A 52 52 THR CB C 52 69.910 69.815 0.095 1
1 629 . 9 1 1 A 52 52 THR N N 52 117.700 114.336 3.364 1
1 630 . 9 1 1 A 53 53 THR H H 53 8.354 8.781 -0.427 1
1 631 . 9 1 1 A 53 53 THR HA H 53 4.521 5.141 -0.620 1
1 636 . 9 1 1 A 53 53 THR C C 53 173.000 174.064 -1.064 1
1 637 . 9 1 1 A 53 53 THR CA C 53 62.110 60.652 1.458 1
1 638 . 9 1 1 A 53 53 THR CB C 53 70.380 70.126 0.254 1
1 640 . 9 1 1 A 53 53 THR N N 53 120.700 119.739 0.961 1
1 641 . 9 1 1 A 54 54 VAL H H 54 9.223 9.160 0.063 1
1 642 . 9 1 1 A 54 54 VAL HA H 54 4.256 4.549 -0.293 1
1 650 . 9 1 1 A 54 54 VAL C C 54 173.500 175.120 -1.620 1
1 651 . 9 1 1 A 54 54 VAL CA C 54 61.330 61.565 -0.235 1
1 652 . 9 1 1 A 54 54 VAL CB C 54 33.090 32.810 0.280 1
1 655 . 9 1 1 A 54 54 VAL N N 54 126.200 127.416 -1.216 1
1 656 . 9 1 1 A 55 55 LYS H H 55 9.074 8.992 0.082 1
1 657 . 9 1 1 A 55 55 LYS HA H 55 4.847 5.017 -0.170 1
1 666 . 9 1 1 A 55 55 LYS C C 55 174.610 174.410 0.200 1
1 667 . 9 1 1 A 55 55 LYS CA C 55 54.265 53.898 0.367 1
1 668 . 9 1 1 A 55 55 LYS CB C 55 36.111 35.819 0.292 1
1 672 . 9 1 1 A 55 55 LYS N N 55 124.700 122.051 2.649 1
1 673 . 9 1 1 A 56 56 ASP H H 56 8.111 8.589 -0.478 1
1 674 . 9 1 1 A 56 56 ASP HA H 56 4.553 4.250 0.303 1
1 677 . 9 1 1 A 56 56 ASP C C 56 177.720 177.306 0.414 1
1 678 . 9 1 1 A 56 56 ASP CA C 56 56.040 55.839 0.201 1
1 679 . 9 1 1 A 56 56 ASP CB C 56 43.070 40.349 2.721 1
1 680 . 9 1 1 A 56 56 ASP N N 56 116.700 122.690 -5.990 1
1 681 . 9 1 1 A 57 57 GLY H H 57 9.330 8.779 0.551 1
1 682 . 9 1 1 A 57 57 GLY HA2 H 57 4.343 3.877 0.466 1
1 683 . 9 1 1 A 57 57 GLY HA3 H 57 3.652 3.878 -0.226 1
1 684 . 9 1 1 A 57 57 GLY C C 57 175.140 173.419 1.721 1
1 685 . 9 1 1 A 57 57 GLY CA C 57 44.869 46.340 -1.471 1
1 686 . 9 1 1 A 57 57 GLY N N 57 113.900 113.394 0.506 1
1 687 . 9 1 1 A 58 58 ASP H H 58 8.104 7.782 0.322 1
1 688 . 9 1 1 A 58 58 ASP HA H 58 4.808 5.062 -0.254 1
1 691 . 9 1 1 A 58 58 ASP C C 58 174.100 174.797 -0.697 1
1 692 . 9 1 1 A 58 58 ASP CA C 58 55.700 52.260 3.440 1
1 693 . 9 1 1 A 58 58 ASP CB C 58 42.080 43.540 -1.460 1
1 694 . 9 1 1 A 58 58 ASP N N 58 122.600 120.119 2.481 1
1 695 . 9 1 1 A 59 59 ALA H H 59 8.326 8.709 -0.383 1
1 696 . 9 1 1 A 59 59 ALA HA H 59 5.208 4.806 0.402 1
1 700 . 9 1 1 A 59 59 ALA C C 59 174.350 175.698 -1.348 1
1 701 . 9 1 1 A 59 59 ALA CA C 59 50.110 51.181 -1.071 1
1 702 . 9 1 1 A 59 59 ALA CB C 59 20.760 20.035 0.725 1
1 703 . 9 1 1 A 59 59 ALA N N 59 121.100 123.711 -2.611 1
1 704 . 9 1 1 A 60 60 VAL H H 60 9.061 8.986 0.075 1
1 705 . 9 1 1 A 60 60 VAL HA H 60 4.117 4.667 -0.550 1
1 713 . 9 1 1 A 60 60 VAL C C 60 174.300 174.324 -0.024 1
1 714 . 9 1 1 A 60 60 VAL CA C 60 61.830 60.300 1.530 1
1 715 . 9 1 1 A 60 60 VAL CB C 60 33.640 33.498 0.142 1
1 718 . 9 1 1 A 60 60 VAL N N 60 121.800 124.491 -2.691 1
1 719 . 9 1 1 A 61 61 GLU H H 61 9.027 8.639 0.388 1
1 720 . 9 1 1 A 61 61 GLU HA H 61 4.778 4.690 0.088 1
1 725 . 9 1 1 A 61 61 GLU C C 61 176.200 175.297 0.903 1
1 726 . 9 1 1 A 61 61 GLU CA C 61 54.152 56.029 -1.877 1
1 727 . 9 1 1 A 61 61 GLU CB C 61 32.477 29.442 3.035 1
1 729 . 9 1 1 A 61 61 GLU N N 61 123.900 128.120 -4.220 1
1 730 . 9 1 1 A 62 62 PHE H H 62 9.075 8.700 0.375 1
1 731 . 9 1 1 A 62 62 PHE HA H 62 5.317 4.821 0.496 1
1 739 . 9 1 1 A 62 62 PHE C C 62 174.490 176.000 -1.510 1
1 740 . 9 1 1 A 62 62 PHE CA C 62 54.910 58.298 -3.388 1
1 741 . 9 1 1 A 62 62 PHE CB C 62 39.640 39.565 0.075 1
1 747 . 9 1 1 A 62 62 PHE N N 62 122.000 125.123 -3.123 1
1 748 . 9 1 1 A 63 63 LEU H H 63 8.996 8.863 0.133 1
1 749 . 9 1 1 A 63 63 LEU HA H 63 4.643 5.066 -0.423 1
1 759 . 9 1 1 A 63 63 LEU C C 63 175.030 177.066 -2.036 1
1 760 . 9 1 1 A 63 63 LEU CA C 63 53.630 53.409 0.221 1
1 761 . 9 1 1 A 63 63 LEU CB C 63 44.680 45.231 -0.551 1
1 765 . 9 1 1 A 63 63 LEU N N 63 125.000 124.765 0.235 1
1 766 . 9 1 1 A 64 64 TYR H H 64 8.669 9.103 -0.434 1
1 767 . 9 1 1 A 64 64 TYR HA H 64 4.758 4.751 0.007 1
1 774 . 9 1 1 A 64 64 TYR C C 64 175.630 175.709 -0.079 1
1 775 . 9 1 1 A 64 64 TYR CA C 64 57.460 58.219 -0.759 1
1 776 . 9 1 1 A 64 64 TYR CB C 64 39.690 37.910 1.780 1
1 781 . 9 1 1 A 64 64 TYR N N 64 120.100 122.228 -2.128 1
1 782 . 9 1 1 A 65 65 PHE H H 65 8.688 7.887 0.801 1
1 783 . 9 1 1 A 65 65 PHE HA H 65 4.777 4.615 0.162 1
1 791 . 9 1 1 A 65 65 PHE C C 65 175.940 174.477 1.463 1
1 792 . 9 1 1 A 65 65 PHE CA C 65 57.325 59.062 -1.737 1
1 793 . 9 1 1 A 65 65 PHE CB C 65 39.340 37.892 1.448 1
1 799 . 9 1 1 A 65 65 PHE N N 65 122.100 115.306 6.794 1
1 800 . 9 1 1 A 66 66 MET H H 66 8.611 8.789 -0.178 1
1 801 . 9 1 1 A 66 66 MET HA H 66 4.537 4.558 -0.021 1
1 806 . 9 1 1 A 66 66 MET C C 66 176.630 176.558 0.072 1
1 807 . 9 1 1 A 66 66 MET CA C 66 55.370 54.629 0.741 1
1 808 . 9 1 1 A 66 66 MET CB C 66 32.710 30.782 1.928 1
1 810 . 9 1 1 A 66 66 MET N N 66 121.700 122.175 -0.475 1
1 811 . 9 1 1 A 67 67 GLY H H 67 8.213 8.741 -0.528 1
1 812 . 9 1 1 A 67 67 GLY HA2 H 67 3.928 4.096 -0.168 1
1 813 . 9 1 1 A 67 67 GLY HA3 H 67 3.928 4.116 -0.188 1
1 814 . 9 1 1 A 67 67 GLY C C 67 174.800 175.687 -0.887 1
1 815 . 9 1 1 A 67 67 GLY CA C 67 45.359 45.566 -0.207 1
1 816 . 9 1 1 A 67 67 GLY N N 67 109.600 111.531 -1.931 1
1 817 . 9 1 1 A 68 68 GLY H H 68 8.353 8.092 0.261 1
1 818 . 9 1 1 A 68 68 GLY HA2 H 68 4.862 3.950 0.912 1
1 819 . 9 1 1 A 68 68 GLY HA3 H 68 4.861 4.003 0.858 1
1 820 . 9 1 1 A 68 68 GLY C C 68 174.760 175.304 -0.544 1
1 821 . 9 1 1 A 68 68 GLY CA C 68 45.402 45.581 -0.179 1
1 822 . 9 1 1 A 68 68 GLY N N 68 108.600 108.837 -0.237 1
1 823 . 9 1 1 A 69 69 GLY H H 69 8.406 8.778 -0.372 1
1 824 . 9 1 1 A 69 69 GLY HA2 H 69 3.953 3.913 0.040 1
1 825 . 9 1 1 A 69 69 GLY HA3 H 69 3.953 3.944 0.009 1
1 826 . 9 1 1 A 69 69 GLY C C 69 174.070 174.285 -0.215 1
1 827 . 9 1 1 A 69 69 GLY CA C 69 45.242 46.332 -1.090 1
1 828 . 9 1 1 A 69 69 GLY N N 69 109.100 106.906 2.194 1
1 829 . 9 1 1 A 70 70 LYS H H 70 8.153 8.338 -0.185 1
1 830 . 9 1 1 A 70 70 LYS HA H 70 4.255 4.351 -0.096 1
1 839 . 9 1 1 A 70 70 LYS C C 70 176.490 175.169 1.321 1
1 840 . 9 1 1 A 70 70 LYS CA C 70 56.370 58.125 -1.755 1
1 841 . 9 1 1 A 70 70 LYS CB C 70 33.130 31.386 1.744 1
1 845 . 9 1 1 A 70 70 LYS N N 70 120.500 111.694 8.806 1
1 846 . 9 1 1 A 71 71 LEU H H 71 8.253 8.502 -0.249 1
1 847 . 9 1 1 A 71 71 LEU HA H 71 4.285 4.270 0.015 1
1 857 . 9 1 1 A 71 71 LEU C C 71 177.110 177.073 0.037 1
1 858 . 9 1 1 A 71 71 LEU CA C 71 55.120 54.056 1.064 1
1 859 . 9 1 1 A 71 71 LEU CB C 71 42.236 41.206 1.030 1
1 863 . 9 1 1 A 71 71 LEU N N 71 122.905 123.959 -1.054 1
1 864 . 9 1 1 A 72 72 GLU H H 72 8.343 8.000 0.343 1
1 865 . 9 1 1 A 72 72 GLU HA H 72 4.238 4.085 0.153 1
1 870 . 9 1 1 A 72 72 GLU C C 72 176.100 176.897 -0.797 1
1 871 . 9 1 1 A 72 72 GLU CA C 72 56.760 59.084 -2.324 1
1 872 . 9 1 1 A 72 72 GLU CB C 72 30.619 28.887 1.732 1
1 874 . 9 1 1 A 72 72 GLU N N 72 121.500 126.095 -4.595 1
1 875 . 9 1 1 A 73 73 HIS H H 73 8.404 7.666 0.738 1
1 876 . 9 1 1 A 73 73 HIS HA H 73 4.593 4.888 -0.295 1
1 879 . 9 1 1 A 73 73 HIS C C 73 173.840 174.591 -0.751 1
1 880 . 9 1 1 A 73 73 HIS CA C 73 55.777 57.081 -1.304 1
1 881 . 9 1 1 A 73 73 HIS CB C 73 30.080 32.024 -1.944 1
1 882 . 9 1 1 A 73 73 HIS N N 73 119.733 117.117 2.616 1
1 883 . 9 1 1 A 74 74 HIS H H 74 8.213 7.883 0.330 1
1 884 . 9 1 1 A 74 74 HIS CA C 74 57.175 55.471 1.704 1
1 885 . 9 1 1 A 74 74 HIS CB C 74 30.671 30.679 -0.008 1
1 9 . 10 1 1 A 2 2 ASN H H 2 9.645 8.712 0.933 1
1 10 . 10 1 1 A 2 2 ASN HA H 2 5.430 5.212 0.218 1
1 15 . 10 1 1 A 2 2 ASN CA C 2 52.761 52.718 0.043 1
1 16 . 10 1 1 A 2 2 ASN CB C 2 40.140 39.498 0.642 1
1 17 . 10 1 1 A 2 2 ASN N N 2 125.300 117.181 8.119 1
1 19 . 10 1 1 A 3 3 LEU H H 3 8.769 9.488 -0.719 1
1 20 . 10 1 1 A 3 3 LEU HA H 3 4.949 5.283 -0.334 1
1 30 . 10 1 1 A 3 3 LEU C C 3 176.320 176.057 0.263 1
1 31 . 10 1 1 A 3 3 LEU CA C 3 54.223 53.097 1.126 1
1 32 . 10 1 1 A 3 3 LEU CB C 3 45.941 45.705 0.236 1
1 36 . 10 1 1 A 3 3 LEU N N 3 121.800 125.108 -3.308 1
1 37 . 10 1 1 A 4 4 THR H H 4 8.329 8.869 -0.540 1
1 38 . 10 1 1 A 4 4 THR HA H 4 4.744 5.030 -0.286 1
1 43 . 10 1 1 A 4 4 THR C C 4 173.650 173.367 0.283 1
1 44 . 10 1 1 A 4 4 THR CA C 4 62.150 61.663 0.487 1
1 45 . 10 1 1 A 4 4 THR CB C 4 69.430 70.380 -0.950 1
1 47 . 10 1 1 A 4 4 THR N N 4 116.200 116.721 -0.521 1
1 48 . 10 1 1 A 5 5 VAL H H 5 8.955 8.862 0.093 1
1 49 . 10 1 1 A 5 5 VAL HA H 5 4.683 4.703 -0.020 1
1 57 . 10 1 1 A 5 5 VAL C C 5 176.470 175.961 0.509 1
1 58 . 10 1 1 A 5 5 VAL CA C 5 60.724 61.399 -0.675 1
1 59 . 10 1 1 A 5 5 VAL CB C 5 33.590 31.584 2.006 1
1 62 . 10 1 1 A 5 5 VAL N N 5 126.000 127.694 -1.694 1
1 63 . 10 1 1 A 6 6 ASN H H 6 9.534 9.576 -0.042 1
1 64 . 10 1 1 A 6 6 ASN HA H 6 4.636 4.510 0.126 1
1 69 . 10 1 1 A 6 6 ASN C C 6 175.900 175.550 0.350 1
1 70 . 10 1 1 A 6 6 ASN CA C 6 54.150 54.731 -0.581 1
1 71 . 10 1 1 A 6 6 ASN CB C 6 36.410 37.278 -0.868 1
1 72 . 10 1 1 A 6 6 ASN N N 6 129.400 127.817 1.583 1
1 74 . 10 1 1 A 7 7 GLY H H 7 8.915 8.594 0.321 1
1 75 . 10 1 1 A 7 7 GLY HA2 H 7 4.170 3.865 0.305 1
1 76 . 10 1 1 A 7 7 GLY HA3 H 7 3.485 3.868 -0.383 1
1 77 . 10 1 1 A 7 7 GLY C C 7 173.950 173.779 0.171 1
1 78 . 10 1 1 A 7 7 GLY CA C 7 45.337 45.383 -0.046 1
1 79 . 10 1 1 A 7 7 GLY N N 7 102.200 104.534 -2.334 1
1 80 . 10 1 1 A 8 8 LYS H H 8 7.900 8.075 -0.175 1
1 81 . 10 1 1 A 8 8 LYS HA H 8 4.987 4.656 0.331 1
1 90 . 10 1 1 A 8 8 LYS CA C 8 52.940 52.858 0.082 1
1 91 . 10 1 1 A 8 8 LYS CB C 8 34.010 33.913 0.097 1
1 95 . 10 1 1 A 8 8 LYS N N 8 121.700 121.954 -0.254 1
1 96 . 10 1 1 A 9 9 PRO HA H 9 4.700 4.807 -0.107 1
1 103 . 10 1 1 A 9 9 PRO C C 9 176.900 176.355 0.545 1
1 104 . 10 1 1 A 9 9 PRO CA C 9 63.990 63.144 0.846 1
1 105 . 10 1 1 A 9 9 PRO CB C 9 32.000 31.741 0.259 1
1 108 . 10 1 1 A 10 10 SER H H 10 8.970 8.870 0.100 1
1 109 . 10 1 1 A 10 10 SER HA H 10 4.822 5.397 -0.575 1
1 112 . 10 1 1 A 10 10 SER C C 10 172.800 172.833 -0.033 1
1 113 . 10 1 1 A 10 10 SER CA C 10 57.880 56.998 0.882 1
1 114 . 10 1 1 A 10 10 SER CB C 10 66.361 65.904 0.457 1
1 115 . 10 1 1 A 10 10 SER N N 10 120.300 114.117 6.183 1
1 116 . 10 1 1 A 11 11 THR H H 11 8.590 8.959 -0.369 1
1 117 . 10 1 1 A 11 11 THR HA H 11 5.163 5.164 -0.001 1
1 122 . 10 1 1 A 11 11 THR C C 11 173.720 174.088 -0.368 1
1 123 . 10 1 1 A 11 11 THR CA C 11 61.380 61.834 -0.454 1
1 124 . 10 1 1 A 11 11 THR CB C 11 71.950 69.802 2.148 1
1 126 . 10 1 1 A 11 11 THR N N 11 120.191 121.035 -0.844 1
1 127 . 10 1 1 A 12 12 VAL H H 12 8.563 8.762 -0.199 1
1 128 . 10 1 1 A 12 12 VAL HA H 12 4.172 4.555 -0.383 1
1 136 . 10 1 1 A 12 12 VAL C C 12 175.380 174.623 0.757 1
1 137 . 10 1 1 A 12 12 VAL CA C 12 61.350 61.325 0.025 1
1 138 . 10 1 1 A 12 12 VAL CB C 12 33.053 32.921 0.132 1
1 141 . 10 1 1 A 12 12 VAL N N 12 125.000 123.519 1.481 1
1 142 . 10 1 1 A 13 13 ASP H H 13 8.878 8.773 0.105 1
1 143 . 10 1 1 A 13 13 ASP HA H 13 4.501 4.625 -0.124 1
1 146 . 10 1 1 A 13 13 ASP C C 13 177.180 177.072 0.108 1
1 147 . 10 1 1 A 13 13 ASP CA C 13 55.120 54.476 0.644 1
1 148 . 10 1 1 A 13 13 ASP CB C 13 41.450 41.338 0.112 1
1 149 . 10 1 1 A 13 13 ASP N N 13 128.300 125.991 2.309 1
1 150 . 10 1 1 A 14 14 GLY H H 14 8.697 8.832 -0.135 1
1 151 . 10 1 1 A 14 14 GLY HA2 H 14 4.076 3.981 0.095 1
1 152 . 10 1 1 A 14 14 GLY HA3 H 14 3.719 3.982 -0.263 1
1 153 . 10 1 1 A 14 14 GLY C C 14 173.244 174.654 -1.410 1
1 154 . 10 1 1 A 14 14 GLY CA C 14 45.887 45.930 -0.043 1
1 155 . 10 1 1 A 14 14 GLY N N 14 109.900 113.923 -4.023 1
1 156 . 10 1 1 A 15 15 ALA H H 15 7.360 7.458 -0.098 1
1 157 . 10 1 1 A 15 15 ALA HA H 15 4.601 4.595 0.006 1
1 161 . 10 1 1 A 15 15 ALA C C 15 176.240 176.993 -0.753 1
1 162 . 10 1 1 A 15 15 ALA CA C 15 51.370 51.205 0.165 1
1 163 . 10 1 1 A 15 15 ALA CB C 15 20.970 20.707 0.263 1
1 164 . 10 1 1 A 15 15 ALA N N 15 121.213 124.108 -2.895 1
1 165 . 10 1 1 A 16 16 GLU H H 16 8.967 8.617 0.350 1
1 166 . 10 1 1 A 16 16 GLU HA H 16 4.406 4.659 -0.253 1
1 171 . 10 1 1 A 16 16 GLU C C 16 175.800 175.954 -0.154 1
1 172 . 10 1 1 A 16 16 GLU CA C 16 57.170 56.243 0.927 1
1 173 . 10 1 1 A 16 16 GLU CB C 16 30.700 31.938 -1.238 1
1 175 . 10 1 1 A 16 16 GLU N N 16 120.800 118.511 2.289 1
1 176 . 10 1 1 A 17 17 SER H H 17 7.587 8.103 -0.516 1
1 177 . 10 1 1 A 17 17 SER HA H 17 4.891 5.380 -0.489 1
1 180 . 10 1 1 A 17 17 SER C C 17 172.400 172.861 -0.461 1
1 181 . 10 1 1 A 17 17 SER CA C 17 57.797 57.042 0.755 1
1 182 . 10 1 1 A 17 17 SER CB C 17 64.571 65.672 -1.101 1
1 183 . 10 1 1 A 17 17 SER N N 17 111.600 112.194 -0.594 1
1 184 . 10 1 1 A 18 18 LEU H H 18 8.285 8.856 -0.571 1
1 185 . 10 1 1 A 18 18 LEU HA H 18 4.810 4.844 -0.034 1
1 195 . 10 1 1 A 18 18 LEU C C 18 175.800 175.547 0.253 1
1 196 . 10 1 1 A 18 18 LEU CA C 18 54.230 53.995 0.235 1
1 197 . 10 1 1 A 18 18 LEU CB C 18 47.430 44.588 2.842 1
1 201 . 10 1 1 A 18 18 LEU N N 18 122.165 121.931 0.234 1
1 202 . 10 1 1 A 19 19 ASN H H 19 8.920 8.753 0.167 1
1 203 . 10 1 1 A 19 19 ASN HA H 19 5.768 5.114 0.654 1
1 208 . 10 1 1 A 19 19 ASN C C 19 176.170 176.969 -0.799 1
1 209 . 10 1 1 A 19 19 ASN CA C 19 51.650 53.912 -2.262 1
1 210 . 10 1 1 A 19 19 ASN CB C 19 38.430 39.630 -1.200 1
1 211 . 10 1 1 A 19 19 ASN N N 19 118.700 118.676 0.024 1
1 213 . 10 1 1 A 20 20 VAL H H 20 7.805 8.641 -0.836 1
1 214 . 10 1 1 A 20 20 VAL HA H 20 3.297 3.677 -0.380 1
1 222 . 10 1 1 A 20 20 VAL C C 20 176.770 177.295 -0.525 1
1 223 . 10 1 1 A 20 20 VAL CA C 20 67.360 66.112 1.248 1
1 224 . 10 1 1 A 20 20 VAL CB C 20 30.940 31.602 -0.662 1
1 227 . 10 1 1 A 20 20 VAL N N 20 117.900 122.714 -4.814 1
1 228 . 10 1 1 A 21 21 THR H H 21 7.230 8.192 -0.962 1
1 229 . 10 1 1 A 21 21 THR HA H 21 3.665 3.870 -0.205 1
1 234 . 10 1 1 A 21 21 THR C C 21 177.360 176.513 0.847 1
1 235 . 10 1 1 A 21 21 THR CA C 21 67.077 67.296 -0.219 1
1 236 . 10 1 1 A 21 21 THR CB C 21 68.460 68.443 0.017 1
1 238 . 10 1 1 A 21 21 THR N N 21 117.400 117.041 0.359 1
1 239 . 10 1 1 A 22 22 GLU H H 22 8.750 7.974 0.776 1
1 240 . 10 1 1 A 22 22 GLU HA H 22 4.046 4.093 -0.047 1
1 245 . 10 1 1 A 22 22 GLU C C 22 179.910 178.946 0.964 1
1 246 . 10 1 1 A 22 22 GLU CA C 22 58.550 59.243 -0.693 1
1 247 . 10 1 1 A 22 22 GLU CB C 22 30.550 29.441 1.109 1
1 249 . 10 1 1 A 22 22 GLU N N 22 121.238 120.506 0.732 1
1 250 . 10 1 1 A 23 23 LEU H H 23 8.766 8.017 0.749 1
1 251 . 10 1 1 A 23 23 LEU HA H 23 3.935 4.091 -0.156 1
1 261 . 10 1 1 A 23 23 LEU C C 23 177.800 178.315 -0.515 1
1 262 . 10 1 1 A 23 23 LEU CA C 23 58.240 58.225 0.015 1
1 263 . 10 1 1 A 23 23 LEU CB C 23 41.844 41.390 0.454 1
1 267 . 10 1 1 A 23 23 LEU N N 23 123.900 122.364 1.536 1
1 268 . 10 1 1 A 24 24 LEU H H 24 8.305 8.246 0.059 1
1 269 . 10 1 1 A 24 24 LEU HA H 24 3.690 3.940 -0.250 1
1 279 . 10 1 1 A 24 24 LEU C C 24 179.620 178.639 0.981 1
1 280 . 10 1 1 A 24 24 LEU CA C 24 58.010 58.027 -0.017 1
1 281 . 10 1 1 A 24 24 LEU CB C 24 41.320 41.162 0.158 1
1 285 . 10 1 1 A 24 24 LEU N N 24 117.100 120.250 -3.150 1
1 286 . 10 1 1 A 25 25 SER H H 25 7.226 8.165 -0.939 1
1 287 . 10 1 1 A 25 25 SER HA H 25 4.304 4.194 0.110 1
1 290 . 10 1 1 A 25 25 SER C C 25 178.100 176.320 1.780 1
1 291 . 10 1 1 A 25 25 SER CA C 25 60.900 61.665 -0.765 1
1 292 . 10 1 1 A 25 25 SER CB C 25 62.850 62.926 -0.076 1
1 293 . 10 1 1 A 25 25 SER N N 25 111.500 117.002 -5.502 1
1 294 . 10 1 1 A 26 26 ALA H H 26 8.712 8.234 0.478 1
1 295 . 10 1 1 A 26 26 ALA HA H 26 4.138 4.106 0.032 1
1 299 . 10 1 1 A 26 26 ALA C C 26 180.000 180.331 -0.331 1
1 300 . 10 1 1 A 26 26 ALA CA C 26 55.180 54.927 0.253 1
1 301 . 10 1 1 A 26 26 ALA CB C 26 18.200 18.419 -0.219 1
1 302 . 10 1 1 A 26 26 ALA N N 26 126.100 123.573 2.527 1
1 303 . 10 1 1 A 27 27 LEU H H 27 8.050 7.711 0.339 1
1 304 . 10 1 1 A 27 27 LEU HA H 27 4.314 4.084 0.230 1
1 314 . 10 1 1 A 27 27 LEU C C 27 175.810 176.758 -0.948 1
1 315 . 10 1 1 A 27 27 LEU CA C 27 54.307 56.301 -1.994 1
1 316 . 10 1 1 A 27 27 LEU CB C 27 42.021 42.269 -0.248 1
1 320 . 10 1 1 A 27 27 LEU N N 27 114.250 116.191 -1.941 1
1 321 . 10 1 1 A 28 28 LYS H H 28 7.766 7.896 -0.130 1
1 322 . 10 1 1 A 28 28 LYS HA H 28 3.869 3.958 -0.089 1
1 331 . 10 1 1 A 28 28 LYS C C 28 176.030 175.864 0.166 1
1 332 . 10 1 1 A 28 28 LYS CA C 28 56.630 57.141 -0.511 1
1 333 . 10 1 1 A 28 28 LYS CB C 28 28.893 30.886 -1.993 1
1 337 . 10 1 1 A 28 28 LYS N N 28 117.700 119.485 -1.785 1
1 338 . 10 1 1 A 29 29 VAL H H 29 7.583 8.044 -0.461 1
1 339 . 10 1 1 A 29 29 VAL HA H 29 3.520 4.693 -1.173 1
1 347 . 10 1 1 A 29 29 VAL C C 29 176.410 174.979 1.431 1
1 348 . 10 1 1 A 29 29 VAL CA C 29 63.741 60.015 3.726 1
1 349 . 10 1 1 A 29 29 VAL CB C 29 31.840 33.988 -2.148 1
1 352 . 10 1 1 A 29 29 VAL N N 29 119.200 124.369 -5.169 1
1 353 . 10 1 1 A 30 30 ALA H H 30 8.543 8.607 -0.064 1
1 354 . 10 1 1 A 30 30 ALA HA H 30 4.215 4.108 0.107 1
1 358 . 10 1 1 A 30 30 ALA C C 30 177.710 177.788 -0.078 1
1 359 . 10 1 1 A 30 30 ALA CA C 30 52.330 53.378 -1.048 1
1 360 . 10 1 1 A 30 30 ALA CB C 30 19.170 18.607 0.563 1
1 361 . 10 1 1 A 30 30 ALA N N 30 131.100 128.793 2.307 1
1 362 . 10 1 1 A 31 31 GLN H H 31 8.982 9.065 -0.083 1
1 363 . 10 1 1 A 31 31 GLN HA H 31 4.162 3.951 0.211 1
1 370 . 10 1 1 A 31 31 GLN C C 31 176.670 176.582 0.088 1
1 371 . 10 1 1 A 31 31 GLN CA C 31 56.100 56.778 -0.678 1
1 372 . 10 1 1 A 31 31 GLN CB C 31 27.390 26.746 0.644 1
1 374 . 10 1 1 A 31 31 GLN N N 31 117.300 119.906 -2.606 1
1 376 . 10 1 1 A 32 32 ALA H H 32 8.029 7.840 0.189 1
1 377 . 10 1 1 A 32 32 ALA HA H 32 3.738 4.087 -0.349 1
1 381 . 10 1 1 A 32 32 ALA C C 32 178.700 179.120 -0.420 1
1 382 . 10 1 1 A 32 32 ALA CA C 32 55.010 55.254 -0.244 1
1 383 . 10 1 1 A 32 32 ALA CB C 32 18.647 18.603 0.044 1
1 384 . 10 1 1 A 32 32 ALA N N 32 119.900 121.866 -1.966 1
1 385 . 10 1 1 A 33 33 GLU H H 33 9.338 8.040 1.298 1
1 386 . 10 1 1 A 33 33 GLU HA H 33 4.037 4.334 -0.297 1
1 391 . 10 1 1 A 33 33 GLU C C 33 176.370 177.788 -1.418 1
1 392 . 10 1 1 A 33 33 GLU CA C 33 58.280 58.049 0.231 1
1 393 . 10 1 1 A 33 33 GLU CB C 33 28.670 29.680 -1.010 1
1 395 . 10 1 1 A 33 33 GLU N N 33 116.800 118.393 -1.593 1
1 396 . 10 1 1 A 34 34 TYR H H 34 8.063 7.964 0.099 1
1 397 . 10 1 1 A 34 34 TYR HA H 34 4.820 4.583 0.237 1
1 404 . 10 1 1 A 34 34 TYR C C 34 175.460 175.881 -0.421 1
1 405 . 10 1 1 A 34 34 TYR CA C 34 56.800 59.147 -2.347 1
1 406 . 10 1 1 A 34 34 TYR CB C 34 39.810 38.580 1.230 1
1 411 . 10 1 1 A 34 34 TYR N N 34 116.100 116.597 -0.497 1
1 412 . 10 1 1 A 35 35 VAL H H 35 7.330 7.630 -0.300 1
1 413 . 10 1 1 A 35 35 VAL HA H 35 4.689 4.458 0.231 1
1 421 . 10 1 1 A 35 35 VAL C C 35 173.700 174.838 -1.138 1
1 422 . 10 1 1 A 35 35 VAL CA C 35 61.550 62.526 -0.976 1
1 423 . 10 1 1 A 35 35 VAL CB C 35 33.650 32.596 1.054 1
1 426 . 10 1 1 A 35 35 VAL N N 35 121.200 121.433 -0.233 1
1 427 . 10 1 1 A 36 36 THR H H 36 8.879 9.054 -0.175 1
1 428 . 10 1 1 A 36 36 THR HA H 36 4.696 5.232 -0.536 1
1 433 . 10 1 1 A 36 36 THR C C 36 172.930 174.169 -1.239 1
1 434 . 10 1 1 A 36 36 THR CA C 36 62.300 61.701 0.599 1
1 435 . 10 1 1 A 36 36 THR CB C 36 70.500 70.009 0.491 1
1 437 . 10 1 1 A 36 36 THR N N 36 126.800 124.105 2.695 1
1 438 . 10 1 1 A 37 37 VAL H H 37 9.616 9.219 0.397 1
1 439 . 10 1 1 A 37 37 VAL HA H 37 5.072 4.923 0.149 1
1 447 . 10 1 1 A 37 37 VAL C C 37 174.820 174.715 0.105 1
1 448 . 10 1 1 A 37 37 VAL CA C 37 59.440 59.294 0.146 1
1 449 . 10 1 1 A 37 37 VAL CB C 37 35.270 35.990 -0.720 1
1 452 . 10 1 1 A 37 37 VAL N N 37 127.600 120.361 7.239 1
1 453 . 10 1 1 A 38 38 GLU H H 38 8.934 8.920 0.014 1
1 454 . 10 1 1 A 38 38 GLU HA H 38 5.059 5.203 -0.144 1
1 459 . 10 1 1 A 38 38 GLU C C 38 174.850 174.704 0.146 1
1 460 . 10 1 1 A 38 38 GLU CA C 38 53.989 55.092 -1.103 1
1 461 . 10 1 1 A 38 38 GLU CB C 38 32.599 31.485 1.114 1
1 463 . 10 1 1 A 38 38 GLU N N 38 126.700 123.473 3.227 1
1 464 . 10 1 1 A 39 39 LEU H H 39 9.004 8.694 0.310 1
1 465 . 10 1 1 A 39 39 LEU HA H 39 5.082 4.425 0.657 1
1 474 . 10 1 1 A 39 39 LEU C C 39 175.890 177.035 -1.145 1
1 475 . 10 1 1 A 39 39 LEU CA C 39 53.030 54.929 -1.899 1
1 476 . 10 1 1 A 39 39 LEU CB C 39 45.640 42.588 3.052 1
1 479 . 10 1 1 A 39 39 LEU N N 39 128.700 127.410 1.290 1
1 480 . 10 1 1 A 40 40 ASN H H 40 10.210 9.500 0.710 1
1 481 . 10 1 1 A 40 40 ASN HA H 40 4.495 4.393 0.102 1
1 486 . 10 1 1 A 40 40 ASN C C 40 175.620 174.337 1.283 1
1 487 . 10 1 1 A 40 40 ASN CA C 40 54.540 54.138 0.402 1
1 488 . 10 1 1 A 40 40 ASN CB C 40 37.280 37.572 -0.292 1
1 489 . 10 1 1 A 40 40 ASN N N 40 128.749 125.448 3.301 1
1 491 . 10 1 1 A 41 41 GLY H H 41 8.913 8.301 0.612 1
1 492 . 10 1 1 A 41 41 GLY HA2 H 41 4.162 4.040 0.122 1
1 493 . 10 1 1 A 41 41 GLY HA3 H 41 3.625 4.041 -0.416 1
1 494 . 10 1 1 A 41 41 GLY C C 41 173.380 173.700 -0.320 1
1 495 . 10 1 1 A 41 41 GLY CA C 41 45.220 45.132 0.088 1
1 496 . 10 1 1 A 41 41 GLY N N 41 102.811 104.553 -1.742 1
1 497 . 10 1 1 A 42 42 GLU H H 42 7.716 7.877 -0.161 1
1 498 . 10 1 1 A 42 42 GLU HA H 42 4.655 4.673 -0.018 1
1 503 . 10 1 1 A 42 42 GLU C C 42 175.300 175.383 -0.083 1
1 504 . 10 1 1 A 42 42 GLU CA C 42 54.190 54.841 -0.651 1
1 505 . 10 1 1 A 42 42 GLU CB C 42 31.770 31.579 0.191 1
1 507 . 10 1 1 A 42 42 GLU N N 42 120.731 121.396 -0.665 1
1 508 . 10 1 1 A 43 43 VAL H H 43 8.872 8.598 0.274 1
1 509 . 10 1 1 A 43 43 VAL HA H 43 4.025 4.649 -0.624 1
1 517 . 10 1 1 A 43 43 VAL C C 43 176.260 174.179 2.081 1
1 518 . 10 1 1 A 43 43 VAL CA C 43 64.110 61.334 2.776 1
1 519 . 10 1 1 A 43 43 VAL CB C 43 31.500 33.620 -2.120 1
1 522 . 10 1 1 A 43 43 VAL N N 43 126.800 126.457 0.343 1
1 523 . 10 1 1 A 44 44 LEU H H 44 8.810 8.655 0.155 1
1 524 . 10 1 1 A 44 44 LEU HA H 44 4.656 4.974 -0.318 1
1 534 . 10 1 1 A 44 44 LEU C C 44 177.620 176.554 1.066 1
1 535 . 10 1 1 A 44 44 LEU CA C 44 53.750 53.025 0.725 1
1 536 . 10 1 1 A 44 44 LEU CB C 44 44.080 44.438 -0.358 1
1 540 . 10 1 1 A 44 44 LEU N N 44 129.200 129.935 -0.735 1
1 541 . 10 1 1 A 45 45 GLU H H 45 8.742 8.785 -0.043 1
1 542 . 10 1 1 A 45 45 GLU HA H 45 4.465 4.332 0.133 1
1 547 . 10 1 1 A 45 45 GLU C C 45 177.440 177.976 -0.536 1
1 548 . 10 1 1 A 45 45 GLU CA C 45 55.270 55.671 -0.401 1
1 549 . 10 1 1 A 45 45 GLU CB C 45 29.830 30.552 -0.722 1
1 551 . 10 1 1 A 45 45 GLU N N 45 122.500 121.297 1.203 1
1 552 . 10 1 1 A 46 46 ARG H H 46 8.674 8.567 0.107 1
1 553 . 10 1 1 A 46 46 ARG HA H 46 2.384 3.734 -1.350 1
1 560 . 10 1 1 A 46 46 ARG C C 46 179.080 177.380 1.700 1
1 561 . 10 1 1 A 46 46 ARG CA C 46 58.150 59.634 -1.484 1
1 562 . 10 1 1 A 46 46 ARG CB C 46 29.050 29.872 -0.822 1
1 565 . 10 1 1 A 46 46 ARG N N 46 124.600 122.246 2.354 1
1 566 . 10 1 1 A 47 47 GLU H H 47 9.010 7.962 1.048 1
1 567 . 10 1 1 A 47 47 GLU HA H 47 4.008 4.271 -0.263 1
1 572 . 10 1 1 A 47 47 GLU C C 47 176.700 177.851 -1.151 1
1 573 . 10 1 1 A 47 47 GLU CA C 47 58.720 56.570 2.150 1
1 574 . 10 1 1 A 47 47 GLU CB C 47 28.590 29.772 -1.182 1
1 576 . 10 1 1 A 47 47 GLU N N 47 117.300 116.639 0.661 1
1 577 . 10 1 1 A 48 48 ALA H H 48 8.011 7.528 0.483 1
1 578 . 10 1 1 A 48 48 ALA HA H 48 4.749 4.064 0.685 1
1 582 . 10 1 1 A 48 48 ALA C C 48 180.070 179.009 1.061 1
1 583 . 10 1 1 A 48 48 ALA CA C 48 51.780 53.908 -2.128 1
1 584 . 10 1 1 A 48 48 ALA CB C 48 19.390 18.512 0.878 1
1 585 . 10 1 1 A 48 48 ALA N N 48 120.200 121.896 -1.696 1
1 586 . 10 1 1 A 49 49 PHE H H 49 8.002 7.343 0.659 1
1 587 . 10 1 1 A 49 49 PHE HA H 49 4.305 4.295 0.010 1
1 594 . 10 1 1 A 49 49 PHE C C 49 177.710 177.887 -0.177 1
1 595 . 10 1 1 A 49 49 PHE CA C 49 59.969 60.828 -0.859 1
1 596 . 10 1 1 A 49 49 PHE CB C 49 36.820 38.292 -1.472 1
1 601 . 10 1 1 A 49 49 PHE N N 49 123.801 116.128 7.673 1
1 602 . 10 1 1 A 50 50 ASP H H 50 8.558 8.377 0.181 1
1 603 . 10 1 1 A 50 50 ASP HA H 50 4.561 4.429 0.132 1
1 606 . 10 1 1 A 50 50 ASP C C 50 176.610 177.642 -1.032 1
1 607 . 10 1 1 A 50 50 ASP CA C 50 56.100 57.004 -0.904 1
1 608 . 10 1 1 A 50 50 ASP CB C 50 40.350 40.712 -0.362 1
1 609 . 10 1 1 A 50 50 ASP N N 50 115.500 119.823 -4.323 1
1 610 . 10 1 1 A 51 51 ALA H H 51 7.539 7.616 -0.077 1
1 611 . 10 1 1 A 51 51 ALA HA H 51 4.498 4.336 0.162 1
1 615 . 10 1 1 A 51 51 ALA C C 51 177.370 175.949 1.421 1
1 616 . 10 1 1 A 51 51 ALA CA C 51 51.850 52.619 -0.769 1
1 617 . 10 1 1 A 51 51 ALA CB C 51 20.280 18.902 1.378 1
1 618 . 10 1 1 A 51 51 ALA N N 51 119.500 119.767 -0.267 1
1 619 . 10 1 1 A 52 52 THR H H 52 7.503 7.670 -0.167 1
1 620 . 10 1 1 A 52 52 THR HA H 52 4.376 4.957 -0.581 1
1 625 . 10 1 1 A 52 52 THR C C 52 172.780 173.128 -0.348 1
1 626 . 10 1 1 A 52 52 THR CA C 52 63.450 61.375 2.075 1
1 627 . 10 1 1 A 52 52 THR CB C 52 69.910 71.541 -1.631 1
1 629 . 10 1 1 A 52 52 THR N N 52 117.700 113.817 3.883 1
1 630 . 10 1 1 A 53 53 THR H H 53 8.354 8.885 -0.531 1
1 631 . 10 1 1 A 53 53 THR HA H 53 4.521 4.958 -0.437 1
1 636 . 10 1 1 A 53 53 THR C C 53 173.000 174.292 -1.292 1
1 637 . 10 1 1 A 53 53 THR CA C 53 62.110 62.175 -0.065 1
1 638 . 10 1 1 A 53 53 THR CB C 53 70.380 69.171 1.209 1
1 640 . 10 1 1 A 53 53 THR N N 53 120.700 123.503 -2.803 1
1 641 . 10 1 1 A 54 54 VAL H H 54 9.223 8.820 0.403 1
1 642 . 10 1 1 A 54 54 VAL HA H 54 4.256 4.368 -0.112 1
1 650 . 10 1 1 A 54 54 VAL C C 54 173.500 175.636 -2.136 1
1 651 . 10 1 1 A 54 54 VAL CA C 54 61.330 62.063 -0.733 1
1 652 . 10 1 1 A 54 54 VAL CB C 54 33.090 32.311 0.779 1
1 655 . 10 1 1 A 54 54 VAL N N 54 126.200 127.952 -1.752 1
1 656 . 10 1 1 A 55 55 LYS H H 55 9.074 8.958 0.116 1
1 657 . 10 1 1 A 55 55 LYS HA H 55 4.847 5.398 -0.551 1
1 666 . 10 1 1 A 55 55 LYS C C 55 174.610 174.059 0.551 1
1 667 . 10 1 1 A 55 55 LYS CA C 55 54.265 54.118 0.147 1
1 668 . 10 1 1 A 55 55 LYS CB C 55 36.111 35.279 0.832 1
1 672 . 10 1 1 A 55 55 LYS N N 55 124.700 122.334 2.366 1
1 673 . 10 1 1 A 56 56 ASP H H 56 8.111 8.593 -0.482 1
1 674 . 10 1 1 A 56 56 ASP HA H 56 4.553 4.353 0.200 1
1 677 . 10 1 1 A 56 56 ASP C C 56 177.720 177.100 0.620 1
1 678 . 10 1 1 A 56 56 ASP CA C 56 56.040 55.838 0.202 1
1 679 . 10 1 1 A 56 56 ASP CB C 56 43.070 40.431 2.639 1
1 680 . 10 1 1 A 56 56 ASP N N 56 116.700 121.720 -5.020 1
1 681 . 10 1 1 A 57 57 GLY H H 57 9.330 8.826 0.504 1
1 682 . 10 1 1 A 57 57 GLY HA2 H 57 4.343 4.020 0.323 1
1 683 . 10 1 1 A 57 57 GLY HA3 H 57 3.652 4.021 -0.369 1
1 684 . 10 1 1 A 57 57 GLY C C 57 175.140 173.244 1.896 1
1 685 . 10 1 1 A 57 57 GLY CA C 57 44.869 46.473 -1.604 1
1 686 . 10 1 1 A 57 57 GLY N N 57 113.900 113.560 0.340 1
1 687 . 10 1 1 A 58 58 ASP H H 58 8.104 7.864 0.240 1
1 688 . 10 1 1 A 58 58 ASP HA H 58 4.808 5.113 -0.305 1
1 691 . 10 1 1 A 58 58 ASP C C 58 174.100 174.003 0.097 1
1 692 . 10 1 1 A 58 58 ASP CA C 58 55.700 53.123 2.577 1
1 693 . 10 1 1 A 58 58 ASP CB C 58 42.080 44.881 -2.801 1
1 694 . 10 1 1 A 58 58 ASP N N 58 122.600 119.007 3.593 1
1 695 . 10 1 1 A 59 59 ALA H H 59 8.326 8.839 -0.513 1
1 696 . 10 1 1 A 59 59 ALA HA H 59 5.208 4.934 0.274 1
1 700 . 10 1 1 A 59 59 ALA C C 59 174.350 175.578 -1.228 1
1 701 . 10 1 1 A 59 59 ALA CA C 59 50.110 50.611 -0.501 1
1 702 . 10 1 1 A 59 59 ALA CB C 59 20.760 20.121 0.639 1
1 703 . 10 1 1 A 59 59 ALA N N 59 121.100 123.712 -2.612 1
1 704 . 10 1 1 A 60 60 VAL H H 60 9.061 8.943 0.118 1
1 705 . 10 1 1 A 60 60 VAL HA H 60 4.117 4.600 -0.483 1
1 713 . 10 1 1 A 60 60 VAL C C 60 174.300 174.106 0.194 1
1 714 . 10 1 1 A 60 60 VAL CA C 60 61.830 61.598 0.232 1
1 715 . 10 1 1 A 60 60 VAL CB C 60 33.640 32.870 0.770 1
1 718 . 10 1 1 A 60 60 VAL N N 60 121.800 125.591 -3.791 1
1 719 . 10 1 1 A 61 61 GLU H H 61 9.027 8.901 0.126 1
1 720 . 10 1 1 A 61 61 GLU HA H 61 4.778 4.792 -0.014 1
1 725 . 10 1 1 A 61 61 GLU C C 61 176.200 175.330 0.870 1
1 726 . 10 1 1 A 61 61 GLU CA C 61 54.152 56.261 -2.109 1
1 727 . 10 1 1 A 61 61 GLU CB C 61 32.477 30.386 2.091 1
1 729 . 10 1 1 A 61 61 GLU N N 61 123.900 129.592 -5.692 1
1 730 . 10 1 1 A 62 62 PHE H H 62 9.075 9.090 -0.015 1
1 731 . 10 1 1 A 62 62 PHE HA H 62 5.317 4.841 0.476 1
1 739 . 10 1 1 A 62 62 PHE C C 62 174.490 174.837 -0.347 1
1 740 . 10 1 1 A 62 62 PHE CA C 62 54.910 56.940 -2.030 1
1 741 . 10 1 1 A 62 62 PHE CB C 62 39.640 40.016 -0.376 1
1 747 . 10 1 1 A 62 62 PHE N N 62 122.000 126.963 -4.963 1
1 748 . 10 1 1 A 63 63 LEU H H 63 8.996 8.553 0.443 1
1 749 . 10 1 1 A 63 63 LEU HA H 63 4.643 4.384 0.259 1
1 759 . 10 1 1 A 63 63 LEU C C 63 175.030 177.670 -2.640 1
1 760 . 10 1 1 A 63 63 LEU CA C 63 53.630 55.026 -1.396 1
1 761 . 10 1 1 A 63 63 LEU CB C 63 44.680 42.304 2.376 1
1 765 . 10 1 1 A 63 63 LEU N N 63 125.000 128.431 -3.431 1
1 766 . 10 1 1 A 64 64 TYR H H 64 8.669 8.412 0.257 1
1 767 . 10 1 1 A 64 64 TYR HA H 64 4.758 4.763 -0.005 1
1 774 . 10 1 1 A 64 64 TYR C C 64 175.630 176.190 -0.560 1
1 775 . 10 1 1 A 64 64 TYR CA C 64 57.460 57.898 -0.438 1
1 776 . 10 1 1 A 64 64 TYR CB C 64 39.690 39.065 0.625 1
1 781 . 10 1 1 A 64 64 TYR N N 64 120.100 120.537 -0.437 1
1 782 . 10 1 1 A 65 65 PHE H H 65 8.688 7.605 1.083 1
1 783 . 10 1 1 A 65 65 PHE HA H 65 4.777 4.308 0.469 1
1 791 . 10 1 1 A 65 65 PHE C C 65 175.940 175.768 0.172 1
1 792 . 10 1 1 A 65 65 PHE CA C 65 57.325 57.576 -0.251 1
1 793 . 10 1 1 A 65 65 PHE CB C 65 39.340 39.409 -0.069 1
1 799 . 10 1 1 A 65 65 PHE N N 65 122.100 120.015 2.085 1
1 800 . 10 1 1 A 66 66 MET H H 66 8.611 8.972 -0.361 1
1 801 . 10 1 1 A 66 66 MET HA H 66 4.537 4.607 -0.070 1
1 806 . 10 1 1 A 66 66 MET C C 66 176.630 177.576 -0.946 1
1 807 . 10 1 1 A 66 66 MET CA C 66 55.370 54.938 0.432 1
1 808 . 10 1 1 A 66 66 MET CB C 66 32.710 32.806 -0.096 1
1 810 . 10 1 1 A 66 66 MET N N 66 121.700 122.347 -0.647 1
1 811 . 10 1 1 A 67 67 GLY H H 67 8.213 8.693 -0.480 1
1 812 . 10 1 1 A 67 67 GLY HA2 H 67 3.928 4.183 -0.255 1
1 813 . 10 1 1 A 67 67 GLY HA3 H 67 3.928 4.238 -0.310 1
1 814 . 10 1 1 A 67 67 GLY C C 67 174.800 175.411 -0.611 1
1 815 . 10 1 1 A 67 67 GLY CA C 67 45.359 45.619 -0.260 1
1 816 . 10 1 1 A 67 67 GLY N N 67 109.600 113.877 -4.277 1
1 817 . 10 1 1 A 68 68 GLY H H 68 8.353 7.999 0.354 1
1 818 . 10 1 1 A 68 68 GLY HA2 H 68 4.862 3.872 0.990 1
1 819 . 10 1 1 A 68 68 GLY HA3 H 68 4.861 3.899 0.962 1
1 820 . 10 1 1 A 68 68 GLY C C 68 174.760 175.292 -0.532 1
1 821 . 10 1 1 A 68 68 GLY CA C 68 45.402 45.993 -0.591 1
1 822 . 10 1 1 A 68 68 GLY N N 68 108.600 108.974 -0.374 1
1 823 . 10 1 1 A 69 69 GLY H H 69 8.406 8.197 0.209 1
1 824 . 10 1 1 A 69 69 GLY HA2 H 69 3.953 3.974 -0.021 1
1 825 . 10 1 1 A 69 69 GLY HA3 H 69 3.953 3.984 -0.031 1
1 826 . 10 1 1 A 69 69 GLY C C 69 174.070 174.136 -0.066 1
1 827 . 10 1 1 A 69 69 GLY CA C 69 45.242 45.558 -0.316 1
1 828 . 10 1 1 A 69 69 GLY N N 69 109.100 108.360 0.740 1
1 829 . 10 1 1 A 70 70 LYS H H 70 8.153 7.743 0.410 1
1 830 . 10 1 1 A 70 70 LYS HA H 70 4.255 4.282 -0.027 1
1 839 . 10 1 1 A 70 70 LYS C C 70 176.490 175.094 1.396 1
1 840 . 10 1 1 A 70 70 LYS CA C 70 56.370 56.343 0.027 1
1 841 . 10 1 1 A 70 70 LYS CB C 70 33.130 32.818 0.312 1
1 845 . 10 1 1 A 70 70 LYS N N 70 120.500 122.524 -2.024 1
1 846 . 10 1 1 A 71 71 LEU H H 71 8.253 8.903 -0.650 1
1 847 . 10 1 1 A 71 71 LEU HA H 71 4.285 4.951 -0.666 1
1 857 . 10 1 1 A 71 71 LEU C C 71 177.110 176.807 0.303 1
1 858 . 10 1 1 A 71 71 LEU CA C 71 55.120 53.601 1.519 1
1 859 . 10 1 1 A 71 71 LEU CB C 71 42.236 44.486 -2.250 1
1 863 . 10 1 1 A 71 71 LEU N N 71 122.905 128.989 -6.084 1
1 864 . 10 1 1 A 72 72 GLU H H 72 8.343 8.636 -0.293 1
1 865 . 10 1 1 A 72 72 GLU HA H 72 4.238 4.649 -0.411 1
1 870 . 10 1 1 A 72 72 GLU C C 72 176.100 176.205 -0.105 1
1 871 . 10 1 1 A 72 72 GLU CA C 72 56.760 54.997 1.763 1
1 872 . 10 1 1 A 72 72 GLU CB C 72 30.619 29.830 0.789 1
1 874 . 10 1 1 A 72 72 GLU N N 72 121.500 123.890 -2.390 1
1 875 . 10 1 1 A 73 73 HIS H H 73 8.404 7.911 0.493 1
1 876 . 10 1 1 A 73 73 HIS HA H 73 4.593 4.361 0.232 1
1 879 . 10 1 1 A 73 73 HIS C C 73 173.840 175.303 -1.463 1
1 880 . 10 1 1 A 73 73 HIS CA C 73 55.777 57.488 -1.711 1
1 881 . 10 1 1 A 73 73 HIS CB C 73 30.080 28.440 1.640 1
1 882 . 10 1 1 A 73 73 HIS N N 73 119.733 115.221 4.512 1
1 883 . 10 1 1 A 74 74 HIS H H 74 8.213 8.820 -0.607 1
1 884 . 10 1 1 A 74 74 HIS CA C 74 57.175 57.244 -0.069 1
1 885 . 10 1 1 A 74 74 HIS CB C 74 30.671 32.339 -1.668 1
1 9 . 11 1 1 A 2 2 ASN H H 2 9.645 8.775 0.870 1
1 10 . 11 1 1 A 2 2 ASN HA H 2 5.430 5.152 0.278 1
1 15 . 11 1 1 A 2 2 ASN CA C 2 52.761 52.634 0.127 1
1 16 . 11 1 1 A 2 2 ASN CB C 2 40.140 39.399 0.741 1
1 17 . 11 1 1 A 2 2 ASN N N 2 125.300 118.125 7.175 1
1 19 . 11 1 1 A 3 3 LEU H H 3 8.769 8.868 -0.099 1
1 20 . 11 1 1 A 3 3 LEU HA H 3 4.949 5.082 -0.133 1
1 30 . 11 1 1 A 3 3 LEU C C 3 176.320 175.796 0.524 1
1 31 . 11 1 1 A 3 3 LEU CA C 3 54.223 53.377 0.846 1
1 32 . 11 1 1 A 3 3 LEU CB C 3 45.941 44.704 1.237 1
1 36 . 11 1 1 A 3 3 LEU N N 3 121.800 125.142 -3.342 1
1 37 . 11 1 1 A 4 4 THR H H 4 8.329 9.104 -0.775 1
1 38 . 11 1 1 A 4 4 THR HA H 4 4.744 4.552 0.192 1
1 43 . 11 1 1 A 4 4 THR C C 4 173.650 173.404 0.246 1
1 44 . 11 1 1 A 4 4 THR CA C 4 62.150 62.133 0.017 1
1 45 . 11 1 1 A 4 4 THR CB C 4 69.430 67.672 1.758 1
1 47 . 11 1 1 A 4 4 THR N N 4 116.200 120.571 -4.371 1
1 48 . 11 1 1 A 5 5 VAL H H 5 8.955 8.420 0.535 1
1 49 . 11 1 1 A 5 5 VAL HA H 5 4.683 4.830 -0.147 1
1 57 . 11 1 1 A 5 5 VAL C C 5 176.470 176.118 0.352 1
1 58 . 11 1 1 A 5 5 VAL CA C 5 60.724 61.963 -1.239 1
1 59 . 11 1 1 A 5 5 VAL CB C 5 33.590 32.297 1.293 1
1 62 . 11 1 1 A 5 5 VAL N N 5 126.000 126.791 -0.791 1
1 63 . 11 1 1 A 6 6 ASN H H 6 9.534 9.632 -0.098 1
1 64 . 11 1 1 A 6 6 ASN HA H 6 4.636 4.502 0.134 1
1 69 . 11 1 1 A 6 6 ASN C C 6 175.900 175.347 0.553 1
1 70 . 11 1 1 A 6 6 ASN CA C 6 54.150 54.500 -0.350 1
1 71 . 11 1 1 A 6 6 ASN CB C 6 36.410 36.986 -0.576 1
1 72 . 11 1 1 A 6 6 ASN N N 6 129.400 128.229 1.171 1
1 74 . 11 1 1 A 7 7 GLY H H 7 8.915 8.382 0.533 1
1 75 . 11 1 1 A 7 7 GLY HA2 H 7 4.170 3.971 0.199 1
1 76 . 11 1 1 A 7 7 GLY HA3 H 7 3.485 3.975 -0.490 1
1 77 . 11 1 1 A 7 7 GLY C C 7 173.950 173.883 0.067 1
1 78 . 11 1 1 A 7 7 GLY CA C 7 45.337 45.153 0.184 1
1 79 . 11 1 1 A 7 7 GLY N N 7 102.200 105.163 -2.963 1
1 80 . 11 1 1 A 8 8 LYS H H 8 7.900 8.036 -0.136 1
1 81 . 11 1 1 A 8 8 LYS HA H 8 4.987 4.550 0.437 1
1 90 . 11 1 1 A 8 8 LYS CA C 8 52.940 52.700 0.240 1
1 91 . 11 1 1 A 8 8 LYS CB C 8 34.010 33.173 0.837 1
1 95 . 11 1 1 A 8 8 LYS N N 8 121.700 121.325 0.375 1
1 96 . 11 1 1 A 9 9 PRO HA H 9 4.700 4.686 0.014 1
1 103 . 11 1 1 A 9 9 PRO C C 9 176.900 175.360 1.540 1
1 104 . 11 1 1 A 9 9 PRO CA C 9 63.990 62.813 1.177 1
1 105 . 11 1 1 A 9 9 PRO CB C 9 32.000 31.295 0.705 1
1 108 . 11 1 1 A 10 10 SER H H 10 8.970 8.798 0.172 1
1 109 . 11 1 1 A 10 10 SER HA H 10 4.822 4.852 -0.030 1
1 112 . 11 1 1 A 10 10 SER C C 10 172.800 173.409 -0.609 1
1 113 . 11 1 1 A 10 10 SER CA C 10 57.880 56.501 1.379 1
1 114 . 11 1 1 A 10 10 SER CB C 10 66.361 65.067 1.294 1
1 115 . 11 1 1 A 10 10 SER N N 10 120.300 118.858 1.442 1
1 116 . 11 1 1 A 11 11 THR H H 11 8.590 8.806 -0.216 1
1 117 . 11 1 1 A 11 11 THR HA H 11 5.163 4.761 0.402 1
1 122 . 11 1 1 A 11 11 THR C C 11 173.720 173.742 -0.022 1
1 123 . 11 1 1 A 11 11 THR CA C 11 61.380 62.108 -0.728 1
1 124 . 11 1 1 A 11 11 THR CB C 11 71.950 68.528 3.422 1
1 126 . 11 1 1 A 11 11 THR N N 11 120.191 122.181 -1.990 1
1 127 . 11 1 1 A 12 12 VAL H H 12 8.563 8.291 0.272 1
1 128 . 11 1 1 A 12 12 VAL HA H 12 4.172 4.490 -0.318 1
1 136 . 11 1 1 A 12 12 VAL C C 12 175.380 174.432 0.948 1
1 137 . 11 1 1 A 12 12 VAL CA C 12 61.350 61.326 0.024 1
1 138 . 11 1 1 A 12 12 VAL CB C 12 33.053 32.416 0.637 1
1 141 . 11 1 1 A 12 12 VAL N N 12 125.000 123.629 1.371 1
1 142 . 11 1 1 A 13 13 ASP H H 13 8.878 8.804 0.074 1
1 143 . 11 1 1 A 13 13 ASP HA H 13 4.501 4.508 -0.007 1
1 146 . 11 1 1 A 13 13 ASP C C 13 177.180 177.207 -0.027 1
1 147 . 11 1 1 A 13 13 ASP CA C 13 55.120 54.938 0.182 1
1 148 . 11 1 1 A 13 13 ASP CB C 13 41.450 41.398 0.052 1
1 149 . 11 1 1 A 13 13 ASP N N 13 128.300 127.441 0.859 1
1 150 . 11 1 1 A 14 14 GLY H H 14 8.697 8.848 -0.151 1
1 151 . 11 1 1 A 14 14 GLY HA2 H 14 4.076 3.897 0.179 1
1 152 . 11 1 1 A 14 14 GLY HA3 H 14 3.719 3.900 -0.181 1
1 153 . 11 1 1 A 14 14 GLY C C 14 173.244 173.761 -0.517 1
1 154 . 11 1 1 A 14 14 GLY CA C 14 45.887 45.619 0.268 1
1 155 . 11 1 1 A 14 14 GLY N N 14 109.900 113.678 -3.778 1
1 156 . 11 1 1 A 15 15 ALA H H 15 7.360 7.660 -0.300 1
1 157 . 11 1 1 A 15 15 ALA HA H 15 4.601 4.540 0.061 1
1 161 . 11 1 1 A 15 15 ALA C C 15 176.240 177.094 -0.854 1
1 162 . 11 1 1 A 15 15 ALA CA C 15 51.370 51.347 0.023 1
1 163 . 11 1 1 A 15 15 ALA CB C 15 20.970 20.101 0.869 1
1 164 . 11 1 1 A 15 15 ALA N N 15 121.213 120.798 0.415 1
1 165 . 11 1 1 A 16 16 GLU H H 16 8.967 8.846 0.121 1
1 166 . 11 1 1 A 16 16 GLU HA H 16 4.406 4.533 -0.127 1
1 171 . 11 1 1 A 16 16 GLU C C 16 175.800 176.976 -1.176 1
1 172 . 11 1 1 A 16 16 GLU CA C 16 57.170 57.010 0.160 1
1 173 . 11 1 1 A 16 16 GLU CB C 16 30.700 30.912 -0.212 1
1 175 . 11 1 1 A 16 16 GLU N N 16 120.800 122.696 -1.896 1
1 176 . 11 1 1 A 17 17 SER H H 17 7.587 7.903 -0.316 1
1 177 . 11 1 1 A 17 17 SER HA H 17 4.891 4.873 0.018 1
1 180 . 11 1 1 A 17 17 SER C C 17 172.400 172.926 -0.526 1
1 181 . 11 1 1 A 17 17 SER CA C 17 57.797 57.753 0.044 1
1 182 . 11 1 1 A 17 17 SER CB C 17 64.571 65.300 -0.729 1
1 183 . 11 1 1 A 17 17 SER N N 17 111.600 112.786 -1.186 1
1 184 . 11 1 1 A 18 18 LEU H H 18 8.285 8.723 -0.438 1
1 185 . 11 1 1 A 18 18 LEU HA H 18 4.810 5.088 -0.278 1
1 195 . 11 1 1 A 18 18 LEU C C 18 175.800 175.662 0.138 1
1 196 . 11 1 1 A 18 18 LEU CA C 18 54.230 53.375 0.855 1
1 197 . 11 1 1 A 18 18 LEU CB C 18 47.430 45.601 1.829 1
1 201 . 11 1 1 A 18 18 LEU N N 18 122.165 123.541 -1.376 1
1 202 . 11 1 1 A 19 19 ASN H H 19 8.920 8.804 0.116 1
1 203 . 11 1 1 A 19 19 ASN HA H 19 5.768 5.198 0.570 1
1 208 . 11 1 1 A 19 19 ASN C C 19 176.170 176.577 -0.407 1
1 209 . 11 1 1 A 19 19 ASN CA C 19 51.650 52.181 -0.531 1
1 210 . 11 1 1 A 19 19 ASN CB C 19 38.430 39.264 -0.834 1
1 211 . 11 1 1 A 19 19 ASN N N 19 118.700 118.425 0.275 1
1 213 . 11 1 1 A 20 20 VAL H H 20 7.805 8.495 -0.690 1
1 214 . 11 1 1 A 20 20 VAL HA H 20 3.297 3.633 -0.336 1
1 222 . 11 1 1 A 20 20 VAL C C 20 176.770 177.259 -0.489 1
1 223 . 11 1 1 A 20 20 VAL CA C 20 67.360 66.234 1.126 1
1 224 . 11 1 1 A 20 20 VAL CB C 20 30.940 31.449 -0.509 1
1 227 . 11 1 1 A 20 20 VAL N N 20 117.900 120.801 -2.901 1
1 228 . 11 1 1 A 21 21 THR H H 21 7.230 7.963 -0.733 1
1 229 . 11 1 1 A 21 21 THR HA H 21 3.665 3.757 -0.092 1
1 234 . 11 1 1 A 21 21 THR C C 21 177.360 176.132 1.228 1
1 235 . 11 1 1 A 21 21 THR CA C 21 67.077 66.917 0.160 1
1 236 . 11 1 1 A 21 21 THR CB C 21 68.460 68.605 -0.145 1
1 238 . 11 1 1 A 21 21 THR N N 21 117.400 116.997 0.403 1
1 239 . 11 1 1 A 22 22 GLU H H 22 8.750 7.807 0.943 1
1 240 . 11 1 1 A 22 22 GLU HA H 22 4.046 3.987 0.059 1
1 245 . 11 1 1 A 22 22 GLU C C 22 179.910 179.121 0.789 1
1 246 . 11 1 1 A 22 22 GLU CA C 22 58.550 59.233 -0.683 1
1 247 . 11 1 1 A 22 22 GLU CB C 22 30.550 29.452 1.098 1
1 249 . 11 1 1 A 22 22 GLU N N 22 121.238 119.602 1.636 1
1 250 . 11 1 1 A 23 23 LEU H H 23 8.766 7.936 0.830 1
1 251 . 11 1 1 A 23 23 LEU HA H 23 3.935 4.026 -0.091 1
1 261 . 11 1 1 A 23 23 LEU C C 23 177.800 178.338 -0.538 1
1 262 . 11 1 1 A 23 23 LEU CA C 23 58.240 58.090 0.150 1
1 263 . 11 1 1 A 23 23 LEU CB C 23 41.844 41.265 0.579 1
1 267 . 11 1 1 A 23 23 LEU N N 23 123.900 122.423 1.477 1
1 268 . 11 1 1 A 24 24 LEU H H 24 8.305 8.267 0.038 1
1 269 . 11 1 1 A 24 24 LEU HA H 24 3.690 3.927 -0.237 1
1 279 . 11 1 1 A 24 24 LEU C C 24 179.620 179.365 0.255 1
1 280 . 11 1 1 A 24 24 LEU CA C 24 58.010 57.841 0.169 1
1 281 . 11 1 1 A 24 24 LEU CB C 24 41.320 41.008 0.312 1
1 285 . 11 1 1 A 24 24 LEU N N 24 117.100 118.686 -1.586 1
1 286 . 11 1 1 A 25 25 SER H H 25 7.226 7.665 -0.439 1
1 287 . 11 1 1 A 25 25 SER HA H 25 4.304 4.154 0.150 1
1 290 . 11 1 1 A 25 25 SER C C 25 178.100 177.241 0.859 1
1 291 . 11 1 1 A 25 25 SER CA C 25 60.900 61.315 -0.415 1
1 292 . 11 1 1 A 25 25 SER CB C 25 62.850 62.895 -0.045 1
1 293 . 11 1 1 A 25 25 SER N N 25 111.500 114.402 -2.902 1
1 294 . 11 1 1 A 26 26 ALA H H 26 8.712 7.904 0.808 1
1 295 . 11 1 1 A 26 26 ALA HA H 26 4.138 4.149 -0.011 1
1 299 . 11 1 1 A 26 26 ALA C C 26 180.000 180.153 -0.153 1
1 300 . 11 1 1 A 26 26 ALA CA C 26 55.180 54.989 0.191 1
1 301 . 11 1 1 A 26 26 ALA CB C 26 18.200 18.169 0.031 1
1 302 . 11 1 1 A 26 26 ALA N N 26 126.100 123.673 2.427 1
1 303 . 11 1 1 A 27 27 LEU H H 27 8.050 7.271 0.779 1
1 304 . 11 1 1 A 27 27 LEU HA H 27 4.314 4.109 0.205 1
1 314 . 11 1 1 A 27 27 LEU C C 27 175.810 176.612 -0.802 1
1 315 . 11 1 1 A 27 27 LEU CA C 27 54.307 54.945 -0.638 1
1 316 . 11 1 1 A 27 27 LEU CB C 27 42.021 41.958 0.063 1
1 320 . 11 1 1 A 27 27 LEU N N 27 114.250 115.711 -1.461 1
1 321 . 11 1 1 A 28 28 LYS H H 28 7.766 7.937 -0.171 1
1 322 . 11 1 1 A 28 28 LYS HA H 28 3.869 3.946 -0.077 1
1 331 . 11 1 1 A 28 28 LYS C C 28 176.030 176.021 0.009 1
1 332 . 11 1 1 A 28 28 LYS CA C 28 56.630 57.137 -0.507 1
1 333 . 11 1 1 A 28 28 LYS CB C 28 28.893 30.918 -2.025 1
1 337 . 11 1 1 A 28 28 LYS N N 28 117.700 119.286 -1.586 1
1 338 . 11 1 1 A 29 29 VAL H H 29 7.583 7.970 -0.387 1
1 339 . 11 1 1 A 29 29 VAL HA H 29 3.520 4.502 -0.982 1
1 347 . 11 1 1 A 29 29 VAL C C 29 176.410 176.696 -0.286 1
1 348 . 11 1 1 A 29 29 VAL CA C 29 63.741 60.637 3.104 1
1 349 . 11 1 1 A 29 29 VAL CB C 29 31.840 33.445 -1.605 1
1 352 . 11 1 1 A 29 29 VAL N N 29 119.200 123.180 -3.980 1
1 353 . 11 1 1 A 30 30 ALA H H 30 8.543 8.863 -0.320 1
1 354 . 11 1 1 A 30 30 ALA HA H 30 4.215 4.267 -0.052 1
1 358 . 11 1 1 A 30 30 ALA C C 30 177.710 178.261 -0.551 1
1 359 . 11 1 1 A 30 30 ALA CA C 30 52.330 55.125 -2.795 1
1 360 . 11 1 1 A 30 30 ALA CB C 30 19.170 19.109 0.061 1
1 361 . 11 1 1 A 30 30 ALA N N 30 131.100 129.524 1.576 1
1 362 . 11 1 1 A 31 31 GLN H H 31 8.982 7.629 1.353 1
1 363 . 11 1 1 A 31 31 GLN HA H 31 4.162 4.761 -0.599 1
1 370 . 11 1 1 A 31 31 GLN C C 31 176.670 175.938 0.732 1
1 371 . 11 1 1 A 31 31 GLN CA C 31 56.100 54.210 1.890 1
1 372 . 11 1 1 A 31 31 GLN CB C 31 27.390 26.853 0.537 1
1 374 . 11 1 1 A 31 31 GLN N N 31 117.300 115.696 1.604 1
1 376 . 11 1 1 A 32 32 ALA H H 32 8.029 8.026 0.003 1
1 377 . 11 1 1 A 32 32 ALA HA H 32 3.738 4.088 -0.350 1
1 381 . 11 1 1 A 32 32 ALA C C 32 178.700 179.704 -1.004 1
1 382 . 11 1 1 A 32 32 ALA CA C 32 55.010 55.432 -0.422 1
1 383 . 11 1 1 A 32 32 ALA CB C 32 18.647 18.738 -0.091 1
1 384 . 11 1 1 A 32 32 ALA N N 32 119.900 126.798 -6.898 1
1 385 . 11 1 1 A 33 33 GLU H H 33 9.338 7.929 1.409 1
1 386 . 11 1 1 A 33 33 GLU HA H 33 4.037 4.017 0.020 1
1 391 . 11 1 1 A 33 33 GLU C C 33 176.370 177.158 -0.788 1
1 392 . 11 1 1 A 33 33 GLU CA C 33 58.280 58.370 -0.090 1
1 393 . 11 1 1 A 33 33 GLU CB C 33 28.670 28.956 -0.286 1
1 395 . 11 1 1 A 33 33 GLU N N 33 116.800 119.390 -2.590 1
1 396 . 11 1 1 A 34 34 TYR H H 34 8.063 7.869 0.194 1
1 397 . 11 1 1 A 34 34 TYR HA H 34 4.820 4.853 -0.033 1
1 404 . 11 1 1 A 34 34 TYR C C 34 175.460 175.543 -0.083 1
1 405 . 11 1 1 A 34 34 TYR CA C 34 56.800 57.072 -0.272 1
1 406 . 11 1 1 A 34 34 TYR CB C 34 39.810 38.505 1.305 1
1 411 . 11 1 1 A 34 34 TYR N N 34 116.100 115.164 0.936 1
1 412 . 11 1 1 A 35 35 VAL H H 35 7.330 7.164 0.166 1
1 413 . 11 1 1 A 35 35 VAL HA H 35 4.689 4.386 0.303 1
1 421 . 11 1 1 A 35 35 VAL C C 35 173.700 175.101 -1.401 1
1 422 . 11 1 1 A 35 35 VAL CA C 35 61.550 61.803 -0.253 1
1 423 . 11 1 1 A 35 35 VAL CB C 35 33.650 32.675 0.975 1
1 426 . 11 1 1 A 35 35 VAL N N 35 121.200 121.404 -0.204 1
1 427 . 11 1 1 A 36 36 THR H H 36 8.879 9.042 -0.163 1
1 428 . 11 1 1 A 36 36 THR HA H 36 4.696 4.706 -0.010 1
1 433 . 11 1 1 A 36 36 THR C C 36 172.930 174.500 -1.570 1
1 434 . 11 1 1 A 36 36 THR CA C 36 62.300 62.330 -0.030 1
1 435 . 11 1 1 A 36 36 THR CB C 36 70.500 68.796 1.704 1
1 437 . 11 1 1 A 36 36 THR N N 36 126.800 124.863 1.937 1
1 438 . 11 1 1 A 37 37 VAL H H 37 9.616 9.182 0.434 1
1 439 . 11 1 1 A 37 37 VAL HA H 37 5.072 5.017 0.055 1
1 447 . 11 1 1 A 37 37 VAL C C 37 174.820 174.758 0.062 1
1 448 . 11 1 1 A 37 37 VAL CA C 37 59.440 59.017 0.423 1
1 449 . 11 1 1 A 37 37 VAL CB C 37 35.270 35.052 0.218 1
1 452 . 11 1 1 A 37 37 VAL N N 37 127.600 121.185 6.415 1
1 453 . 11 1 1 A 38 38 GLU H H 38 8.934 8.986 -0.052 1
1 454 . 11 1 1 A 38 38 GLU HA H 38 5.059 5.124 -0.065 1
1 459 . 11 1 1 A 38 38 GLU C C 38 174.850 174.508 0.342 1
1 460 . 11 1 1 A 38 38 GLU CA C 38 53.989 54.546 -0.557 1
1 461 . 11 1 1 A 38 38 GLU CB C 38 32.599 33.546 -0.947 1
1 463 . 11 1 1 A 38 38 GLU N N 38 126.700 121.824 4.876 1
1 464 . 11 1 1 A 39 39 LEU H H 39 9.004 8.767 0.237 1
1 465 . 11 1 1 A 39 39 LEU HA H 39 5.082 4.797 0.285 1
1 474 . 11 1 1 A 39 39 LEU C C 39 175.890 176.565 -0.675 1
1 475 . 11 1 1 A 39 39 LEU CA C 39 53.030 53.300 -0.270 1
1 476 . 11 1 1 A 39 39 LEU CB C 39 45.640 43.636 2.004 1
1 479 . 11 1 1 A 39 39 LEU N N 39 128.700 123.219 5.481 1
1 480 . 11 1 1 A 40 40 ASN H H 40 10.210 9.439 0.771 1
1 481 . 11 1 1 A 40 40 ASN HA H 40 4.495 4.475 0.020 1
1 486 . 11 1 1 A 40 40 ASN C C 40 175.620 175.491 0.129 1
1 487 . 11 1 1 A 40 40 ASN CA C 40 54.540 54.519 0.021 1
1 488 . 11 1 1 A 40 40 ASN CB C 40 37.280 37.220 0.060 1
1 489 . 11 1 1 A 40 40 ASN N N 40 128.749 124.311 4.438 1
1 491 . 11 1 1 A 41 41 GLY H H 41 8.913 8.474 0.439 1
1 492 . 11 1 1 A 41 41 GLY HA2 H 41 4.162 3.849 0.313 1
1 493 . 11 1 1 A 41 41 GLY HA3 H 41 3.625 3.849 -0.224 1
1 494 . 11 1 1 A 41 41 GLY C C 41 173.380 173.771 -0.391 1
1 495 . 11 1 1 A 41 41 GLY CA C 41 45.220 45.479 -0.259 1
1 496 . 11 1 1 A 41 41 GLY N N 41 102.811 104.581 -1.770 1
1 497 . 11 1 1 A 42 42 GLU H H 42 7.716 7.765 -0.049 1
1 498 . 11 1 1 A 42 42 GLU HA H 42 4.655 4.816 -0.161 1
1 503 . 11 1 1 A 42 42 GLU C C 42 175.300 174.748 0.552 1
1 504 . 11 1 1 A 42 42 GLU CA C 42 54.190 54.794 -0.604 1
1 505 . 11 1 1 A 42 42 GLU CB C 42 31.770 32.672 -0.902 1
1 507 . 11 1 1 A 42 42 GLU N N 42 120.731 119.809 0.922 1
1 508 . 11 1 1 A 43 43 VAL H H 43 8.872 8.667 0.205 1
1 509 . 11 1 1 A 43 43 VAL HA H 43 4.025 4.561 -0.536 1
1 517 . 11 1 1 A 43 43 VAL C C 43 176.260 174.474 1.786 1
1 518 . 11 1 1 A 43 43 VAL CA C 43 64.110 61.409 2.701 1
1 519 . 11 1 1 A 43 43 VAL CB C 43 31.500 33.200 -1.700 1
1 522 . 11 1 1 A 43 43 VAL N N 43 126.800 126.537 0.263 1
1 523 . 11 1 1 A 44 44 LEU H H 44 8.810 8.487 0.323 1
1 524 . 11 1 1 A 44 44 LEU HA H 44 4.656 4.851 -0.195 1
1 534 . 11 1 1 A 44 44 LEU C C 44 177.620 176.354 1.266 1
1 535 . 11 1 1 A 44 44 LEU CA C 44 53.750 53.398 0.352 1
1 536 . 11 1 1 A 44 44 LEU CB C 44 44.080 43.551 0.529 1
1 540 . 11 1 1 A 44 44 LEU N N 44 129.200 129.450 -0.250 1
1 541 . 11 1 1 A 45 45 GLU H H 45 8.742 8.556 0.186 1
1 542 . 11 1 1 A 45 45 GLU HA H 45 4.465 4.024 0.441 1
1 547 . 11 1 1 A 45 45 GLU C C 45 177.440 177.306 0.134 1
1 548 . 11 1 1 A 45 45 GLU CA C 45 55.270 56.934 -1.664 1
1 549 . 11 1 1 A 45 45 GLU CB C 45 29.830 31.318 -1.488 1
1 551 . 11 1 1 A 45 45 GLU N N 45 122.500 124.733 -2.233 1
1 552 . 11 1 1 A 46 46 ARG H H 46 8.674 8.779 -0.105 1
1 553 . 11 1 1 A 46 46 ARG HA H 46 2.384 2.419 -0.035 1
1 560 . 11 1 1 A 46 46 ARG C C 46 179.080 177.283 1.797 1
1 561 . 11 1 1 A 46 46 ARG CA C 46 58.150 59.264 -1.114 1
1 562 . 11 1 1 A 46 46 ARG CB C 46 29.050 29.834 -0.784 1
1 565 . 11 1 1 A 46 46 ARG N N 46 124.600 126.772 -2.172 1
1 566 . 11 1 1 A 47 47 GLU H H 47 9.010 8.191 0.819 1
1 567 . 11 1 1 A 47 47 GLU HA H 47 4.008 4.144 -0.136 1
1 572 . 11 1 1 A 47 47 GLU C C 47 176.700 177.248 -0.548 1
1 573 . 11 1 1 A 47 47 GLU CA C 47 58.720 57.843 0.877 1
1 574 . 11 1 1 A 47 47 GLU CB C 47 28.590 29.156 -0.566 1
1 576 . 11 1 1 A 47 47 GLU N N 47 117.300 117.936 -0.636 1
1 577 . 11 1 1 A 48 48 ALA H H 48 8.011 7.641 0.370 1
1 578 . 11 1 1 A 48 48 ALA HA H 48 4.749 4.384 0.365 1
1 582 . 11 1 1 A 48 48 ALA C C 48 180.070 178.518 1.552 1
1 583 . 11 1 1 A 48 48 ALA CA C 48 51.780 52.359 -0.579 1
1 584 . 11 1 1 A 48 48 ALA CB C 48 19.390 20.045 -0.655 1
1 585 . 11 1 1 A 48 48 ALA N N 48 120.200 121.680 -1.480 1
1 586 . 11 1 1 A 49 49 PHE H H 49 8.002 7.207 0.795 1
1 587 . 11 1 1 A 49 49 PHE HA H 49 4.305 4.254 0.051 1
1 594 . 11 1 1 A 49 49 PHE C C 49 177.710 177.684 0.026 1
1 595 . 11 1 1 A 49 49 PHE CA C 49 59.969 60.846 -0.877 1
1 596 . 11 1 1 A 49 49 PHE CB C 49 36.820 38.106 -1.286 1
1 601 . 11 1 1 A 49 49 PHE N N 49 123.801 116.259 7.542 1
1 602 . 11 1 1 A 50 50 ASP H H 50 8.558 8.492 0.066 1
1 603 . 11 1 1 A 50 50 ASP HA H 50 4.561 4.506 0.055 1
1 606 . 11 1 1 A 50 50 ASP C C 50 176.610 178.551 -1.941 1
1 607 . 11 1 1 A 50 50 ASP CA C 50 56.100 56.414 -0.314 1
1 608 . 11 1 1 A 50 50 ASP CB C 50 40.350 40.556 -0.206 1
1 609 . 11 1 1 A 50 50 ASP N N 50 115.500 118.148 -2.648 1
1 610 . 11 1 1 A 51 51 ALA H H 51 7.539 7.546 -0.007 1
1 611 . 11 1 1 A 51 51 ALA HA H 51 4.498 4.213 0.285 1
1 615 . 11 1 1 A 51 51 ALA C C 51 177.370 178.478 -1.108 1
1 616 . 11 1 1 A 51 51 ALA CA C 51 51.850 54.806 -2.956 1
1 617 . 11 1 1 A 51 51 ALA CB C 51 20.280 19.212 1.068 1
1 618 . 11 1 1 A 51 51 ALA N N 51 119.500 121.130 -1.630 1
1 619 . 11 1 1 A 52 52 THR H H 52 7.503 7.987 -0.484 1
1 620 . 11 1 1 A 52 52 THR HA H 52 4.376 4.251 0.125 1
1 625 . 11 1 1 A 52 52 THR C C 52 172.780 174.077 -1.297 1
1 626 . 11 1 1 A 52 52 THR CA C 52 63.450 63.686 -0.236 1
1 627 . 11 1 1 A 52 52 THR CB C 52 69.910 68.589 1.321 1
1 629 . 11 1 1 A 52 52 THR N N 52 117.700 113.082 4.618 1
1 630 . 11 1 1 A 53 53 THR H H 53 8.354 8.902 -0.548 1
1 631 . 11 1 1 A 53 53 THR HA H 53 4.521 4.728 -0.207 1
1 636 . 11 1 1 A 53 53 THR C C 53 173.000 174.274 -1.274 1
1 637 . 11 1 1 A 53 53 THR CA C 53 62.110 62.578 -0.468 1
1 638 . 11 1 1 A 53 53 THR CB C 53 70.380 69.197 1.183 1
1 640 . 11 1 1 A 53 53 THR N N 53 120.700 123.667 -2.967 1
1 641 . 11 1 1 A 54 54 VAL H H 54 9.223 8.776 0.447 1
1 642 . 11 1 1 A 54 54 VAL HA H 54 4.256 4.264 -0.008 1
1 650 . 11 1 1 A 54 54 VAL C C 54 173.500 175.672 -2.172 1
1 651 . 11 1 1 A 54 54 VAL CA C 54 61.330 62.657 -1.327 1
1 652 . 11 1 1 A 54 54 VAL CB C 54 33.090 31.972 1.118 1
1 655 . 11 1 1 A 54 54 VAL N N 54 126.200 127.609 -1.409 1
1 656 . 11 1 1 A 55 55 LYS H H 55 9.074 8.873 0.201 1
1 657 . 11 1 1 A 55 55 LYS HA H 55 4.847 4.841 0.006 1
1 666 . 11 1 1 A 55 55 LYS C C 55 174.610 175.129 -0.519 1
1 667 . 11 1 1 A 55 55 LYS CA C 55 54.265 54.154 0.111 1
1 668 . 11 1 1 A 55 55 LYS CB C 55 36.111 35.850 0.261 1
1 672 . 11 1 1 A 55 55 LYS N N 55 124.700 126.142 -1.442 1
1 673 . 11 1 1 A 56 56 ASP H H 56 8.111 8.547 -0.436 1
1 674 . 11 1 1 A 56 56 ASP HA H 56 4.553 4.270 0.283 1
1 677 . 11 1 1 A 56 56 ASP C C 56 177.720 177.031 0.689 1
1 678 . 11 1 1 A 56 56 ASP CA C 56 56.040 55.921 0.119 1
1 679 . 11 1 1 A 56 56 ASP CB C 56 43.070 40.342 2.728 1
1 680 . 11 1 1 A 56 56 ASP N N 56 116.700 121.549 -4.849 1
1 681 . 11 1 1 A 57 57 GLY H H 57 9.330 9.019 0.311 1
1 682 . 11 1 1 A 57 57 GLY HA2 H 57 4.343 3.937 0.406 1
1 683 . 11 1 1 A 57 57 GLY HA3 H 57 3.652 3.937 -0.285 1
1 684 . 11 1 1 A 57 57 GLY C C 57 175.140 173.527 1.613 1
1 685 . 11 1 1 A 57 57 GLY CA C 57 44.869 45.569 -0.700 1
1 686 . 11 1 1 A 57 57 GLY N N 57 113.900 113.708 0.192 1
1 687 . 11 1 1 A 58 58 ASP H H 58 8.104 7.825 0.279 1
1 688 . 11 1 1 A 58 58 ASP HA H 58 4.808 5.020 -0.212 1
1 691 . 11 1 1 A 58 58 ASP C C 58 174.100 175.051 -0.951 1
1 692 . 11 1 1 A 58 58 ASP CA C 58 55.700 52.716 2.984 1
1 693 . 11 1 1 A 58 58 ASP CB C 58 42.080 44.127 -2.047 1
1 694 . 11 1 1 A 58 58 ASP N N 58 122.600 120.315 2.285 1
1 695 . 11 1 1 A 59 59 ALA H H 59 8.326 8.988 -0.662 1
1 696 . 11 1 1 A 59 59 ALA HA H 59 5.208 5.131 0.077 1
1 700 . 11 1 1 A 59 59 ALA C C 59 174.350 175.550 -1.200 1
1 701 . 11 1 1 A 59 59 ALA CA C 59 50.110 50.495 -0.385 1
1 702 . 11 1 1 A 59 59 ALA CB C 59 20.760 20.055 0.705 1
1 703 . 11 1 1 A 59 59 ALA N N 59 121.100 124.158 -3.058 1
1 704 . 11 1 1 A 60 60 VAL H H 60 9.061 8.893 0.168 1
1 705 . 11 1 1 A 60 60 VAL HA H 60 4.117 4.713 -0.596 1
1 713 . 11 1 1 A 60 60 VAL C C 60 174.300 173.972 0.328 1
1 714 . 11 1 1 A 60 60 VAL CA C 60 61.830 60.209 1.621 1
1 715 . 11 1 1 A 60 60 VAL CB C 60 33.640 33.799 -0.159 1
1 718 . 11 1 1 A 60 60 VAL N N 60 121.800 125.054 -3.254 1
1 719 . 11 1 1 A 61 61 GLU H H 61 9.027 9.193 -0.166 1
1 720 . 11 1 1 A 61 61 GLU HA H 61 4.778 5.177 -0.399 1
1 725 . 11 1 1 A 61 61 GLU C C 61 176.200 174.760 1.440 1
1 726 . 11 1 1 A 61 61 GLU CA C 61 54.152 55.513 -1.361 1
1 727 . 11 1 1 A 61 61 GLU CB C 61 32.477 30.530 1.947 1
1 729 . 11 1 1 A 61 61 GLU N N 61 123.900 127.689 -3.789 1
1 730 . 11 1 1 A 62 62 PHE H H 62 9.075 9.175 -0.100 1
1 731 . 11 1 1 A 62 62 PHE HA H 62 5.317 5.362 -0.045 1
1 739 . 11 1 1 A 62 62 PHE C C 62 174.490 173.800 0.690 1
1 740 . 11 1 1 A 62 62 PHE CA C 62 54.910 56.074 -1.164 1
1 741 . 11 1 1 A 62 62 PHE CB C 62 39.640 41.154 -1.514 1
1 747 . 11 1 1 A 62 62 PHE N N 62 122.000 126.302 -4.302 1
1 748 . 11 1 1 A 63 63 LEU H H 63 8.996 8.745 0.251 1
1 749 . 11 1 1 A 63 63 LEU HA H 63 4.643 4.690 -0.047 1
1 759 . 11 1 1 A 63 63 LEU C C 63 175.030 177.860 -2.830 1
1 760 . 11 1 1 A 63 63 LEU CA C 63 53.630 54.135 -0.505 1
1 761 . 11 1 1 A 63 63 LEU CB C 63 44.680 42.210 2.470 1
1 765 . 11 1 1 A 63 63 LEU N N 63 125.000 128.298 -3.298 1
1 766 . 11 1 1 A 64 64 TYR H H 64 8.669 8.475 0.194 1
1 767 . 11 1 1 A 64 64 TYR HA H 64 4.758 4.656 0.102 1
1 774 . 11 1 1 A 64 64 TYR C C 64 175.630 176.237 -0.607 1
1 775 . 11 1 1 A 64 64 TYR CA C 64 57.460 58.123 -0.663 1
1 776 . 11 1 1 A 64 64 TYR CB C 64 39.690 38.684 1.006 1
1 781 . 11 1 1 A 64 64 TYR N N 64 120.100 122.233 -2.133 1
1 782 . 11 1 1 A 65 65 PHE H H 65 8.688 7.747 0.941 1
1 783 . 11 1 1 A 65 65 PHE HA H 65 4.777 4.440 0.337 1
1 791 . 11 1 1 A 65 65 PHE C C 65 175.940 175.573 0.367 1
1 792 . 11 1 1 A 65 65 PHE CA C 65 57.325 56.604 0.721 1
1 793 . 11 1 1 A 65 65 PHE CB C 65 39.340 39.679 -0.339 1
1 799 . 11 1 1 A 65 65 PHE N N 65 122.100 119.028 3.072 1
1 800 . 11 1 1 A 66 66 MET H H 66 8.611 9.024 -0.413 1
1 801 . 11 1 1 A 66 66 MET HA H 66 4.537 5.072 -0.535 1
1 806 . 11 1 1 A 66 66 MET C C 66 176.630 175.458 1.172 1
1 807 . 11 1 1 A 66 66 MET CA C 66 55.370 54.241 1.129 1
1 808 . 11 1 1 A 66 66 MET CB C 66 32.710 36.029 -3.319 1
1 810 . 11 1 1 A 66 66 MET N N 66 121.700 121.211 0.489 1
1 811 . 11 1 1 A 67 67 GLY H H 67 8.213 8.624 -0.411 1
1 812 . 11 1 1 A 67 67 GLY HA2 H 67 3.928 4.260 -0.332 1
1 813 . 11 1 1 A 67 67 GLY HA3 H 67 3.928 4.283 -0.355 1
1 814 . 11 1 1 A 67 67 GLY C C 67 174.800 174.838 -0.038 1
1 815 . 11 1 1 A 67 67 GLY CA C 67 45.359 45.727 -0.368 1
1 816 . 11 1 1 A 67 67 GLY N N 67 109.600 113.340 -3.740 1
1 817 . 11 1 1 A 68 68 GLY H H 68 8.353 8.126 0.227 1
1 818 . 11 1 1 A 68 68 GLY HA2 H 68 4.862 4.012 0.850 1
1 819 . 11 1 1 A 68 68 GLY HA3 H 68 4.861 4.016 0.845 1
1 820 . 11 1 1 A 68 68 GLY C C 68 174.760 174.581 0.179 1
1 821 . 11 1 1 A 68 68 GLY CA C 68 45.402 45.302 0.100 1
1 822 . 11 1 1 A 68 68 GLY N N 68 108.600 107.507 1.093 1
1 823 . 11 1 1 A 69 69 GLY H H 69 8.406 8.176 0.230 1
1 824 . 11 1 1 A 69 69 GLY HA2 H 69 3.953 3.875 0.078 1
1 825 . 11 1 1 A 69 69 GLY HA3 H 69 3.953 3.879 0.074 1
1 826 . 11 1 1 A 69 69 GLY C C 69 174.070 173.961 0.109 1
1 827 . 11 1 1 A 69 69 GLY CA C 69 45.242 46.977 -1.735 1
1 828 . 11 1 1 A 69 69 GLY N N 69 109.100 107.939 1.161 1
1 829 . 11 1 1 A 70 70 LYS H H 70 8.153 8.599 -0.446 1
1 830 . 11 1 1 A 70 70 LYS HA H 70 4.255 4.020 0.235 1
1 839 . 11 1 1 A 70 70 LYS C C 70 176.490 174.951 1.539 1
1 840 . 11 1 1 A 70 70 LYS CA C 70 56.370 56.894 -0.524 1
1 841 . 11 1 1 A 70 70 LYS CB C 70 33.130 31.110 2.020 1
1 845 . 11 1 1 A 70 70 LYS N N 70 120.500 122.689 -2.189 1
1 846 . 11 1 1 A 71 71 LEU H H 71 8.253 8.329 -0.076 1
1 847 . 11 1 1 A 71 71 LEU HA H 71 4.285 4.608 -0.323 1
1 857 . 11 1 1 A 71 71 LEU C C 71 177.110 175.958 1.152 1
1 858 . 11 1 1 A 71 71 LEU CA C 71 55.120 53.458 1.662 1
1 859 . 11 1 1 A 71 71 LEU CB C 71 42.236 43.073 -0.837 1
1 863 . 11 1 1 A 71 71 LEU N N 71 122.905 123.655 -0.750 1
1 864 . 11 1 1 A 72 72 GLU H H 72 8.343 8.310 0.033 1
1 865 . 11 1 1 A 72 72 GLU HA H 72 4.238 5.025 -0.787 1
1 870 . 11 1 1 A 72 72 GLU C C 72 176.100 175.793 0.307 1
1 871 . 11 1 1 A 72 72 GLU CA C 72 56.760 54.836 1.924 1
1 872 . 11 1 1 A 72 72 GLU CB C 72 30.619 32.396 -1.777 1
1 874 . 11 1 1 A 72 72 GLU N N 72 121.500 119.145 2.355 1
1 875 . 11 1 1 A 73 73 HIS H H 73 8.404 8.858 -0.454 1
1 876 . 11 1 1 A 73 73 HIS HA H 73 4.593 4.877 -0.284 1
1 879 . 11 1 1 A 73 73 HIS C C 73 173.840 172.556 1.284 1
1 880 . 11 1 1 A 73 73 HIS CA C 73 55.777 56.241 -0.464 1
1 881 . 11 1 1 A 73 73 HIS CB C 73 30.080 33.008 -2.928 1
1 882 . 11 1 1 A 73 73 HIS N N 73 119.733 122.352 -2.619 1
1 883 . 11 1 1 A 74 74 HIS H H 74 8.213 8.570 -0.357 1
1 884 . 11 1 1 A 74 74 HIS CA C 74 57.175 53.386 3.789 1
1 885 . 11 1 1 A 74 74 HIS CB C 74 30.671 32.293 -1.622 1
1 9 . 12 1 1 A 2 2 ASN H H 2 9.645 8.917 0.728 1
1 10 . 12 1 1 A 2 2 ASN HA H 2 5.430 5.733 -0.303 1
1 15 . 12 1 1 A 2 2 ASN CA C 2 52.761 52.204 0.557 1
1 16 . 12 1 1 A 2 2 ASN CB C 2 40.140 40.058 0.082 1
1 17 . 12 1 1 A 2 2 ASN N N 2 125.300 117.959 7.341 1
1 19 . 12 1 1 A 3 3 LEU H H 3 8.769 8.952 -0.183 1
1 20 . 12 1 1 A 3 3 LEU HA H 3 4.949 5.076 -0.127 1
1 30 . 12 1 1 A 3 3 LEU C C 3 176.320 175.546 0.774 1
1 31 . 12 1 1 A 3 3 LEU CA C 3 54.223 53.459 0.764 1
1 32 . 12 1 1 A 3 3 LEU CB C 3 45.941 46.051 -0.110 1
1 36 . 12 1 1 A 3 3 LEU N N 3 121.800 123.650 -1.850 1
1 37 . 12 1 1 A 4 4 THR H H 4 8.329 8.833 -0.504 1
1 38 . 12 1 1 A 4 4 THR HA H 4 4.744 5.283 -0.539 1
1 43 . 12 1 1 A 4 4 THR C C 4 173.650 174.026 -0.376 1
1 44 . 12 1 1 A 4 4 THR CA C 4 62.150 62.110 0.040 1
1 45 . 12 1 1 A 4 4 THR CB C 4 69.430 69.335 0.095 1
1 47 . 12 1 1 A 4 4 THR N N 4 116.200 117.141 -0.941 1
1 48 . 12 1 1 A 5 5 VAL H H 5 8.955 8.687 0.268 1
1 49 . 12 1 1 A 5 5 VAL HA H 5 4.683 4.810 -0.127 1
1 57 . 12 1 1 A 5 5 VAL C C 5 176.470 175.113 1.357 1
1 58 . 12 1 1 A 5 5 VAL CA C 5 60.724 59.936 0.788 1
1 59 . 12 1 1 A 5 5 VAL CB C 5 33.590 34.786 -1.196 1
1 62 . 12 1 1 A 5 5 VAL N N 5 126.000 121.454 4.546 1
1 63 . 12 1 1 A 6 6 ASN H H 6 9.534 9.537 -0.003 1
1 64 . 12 1 1 A 6 6 ASN HA H 6 4.636 4.529 0.107 1
1 69 . 12 1 1 A 6 6 ASN C C 6 175.900 175.647 0.253 1
1 70 . 12 1 1 A 6 6 ASN CA C 6 54.150 54.665 -0.515 1
1 71 . 12 1 1 A 6 6 ASN CB C 6 36.410 37.177 -0.767 1
1 72 . 12 1 1 A 6 6 ASN N N 6 129.400 120.817 8.583 1
1 74 . 12 1 1 A 7 7 GLY H H 7 8.915 8.528 0.387 1
1 75 . 12 1 1 A 7 7 GLY HA2 H 7 4.170 3.885 0.285 1
1 76 . 12 1 1 A 7 7 GLY HA3 H 7 3.485 3.891 -0.406 1
1 77 . 12 1 1 A 7 7 GLY C C 7 173.950 173.777 0.173 1
1 78 . 12 1 1 A 7 7 GLY CA C 7 45.337 45.695 -0.358 1
1 79 . 12 1 1 A 7 7 GLY N N 7 102.200 104.316 -2.116 1
1 80 . 12 1 1 A 8 8 LYS H H 8 7.900 8.009 -0.109 1
1 81 . 12 1 1 A 8 8 LYS HA H 8 4.987 4.822 0.165 1
1 90 . 12 1 1 A 8 8 LYS CA C 8 52.940 53.001 -0.061 1
1 91 . 12 1 1 A 8 8 LYS CB C 8 34.010 34.032 -0.022 1
1 95 . 12 1 1 A 8 8 LYS N N 8 121.700 121.074 0.626 1
1 96 . 12 1 1 A 9 9 PRO HA H 9 4.700 4.894 -0.194 1
1 103 . 12 1 1 A 9 9 PRO C C 9 176.900 176.338 0.562 1
1 104 . 12 1 1 A 9 9 PRO CA C 9 63.990 62.439 1.551 1
1 105 . 12 1 1 A 9 9 PRO CB C 9 32.000 32.331 -0.331 1
1 108 . 12 1 1 A 10 10 SER H H 10 8.970 8.597 0.373 1
1 109 . 12 1 1 A 10 10 SER HA H 10 4.822 5.101 -0.279 1
1 112 . 12 1 1 A 10 10 SER C C 10 172.800 172.967 -0.167 1
1 113 . 12 1 1 A 10 10 SER CA C 10 57.880 57.274 0.606 1
1 114 . 12 1 1 A 10 10 SER CB C 10 66.361 66.954 -0.593 1
1 115 . 12 1 1 A 10 10 SER N N 10 120.300 114.332 5.968 1
1 116 . 12 1 1 A 11 11 THR H H 11 8.590 8.860 -0.270 1
1 117 . 12 1 1 A 11 11 THR HA H 11 5.163 5.186 -0.023 1
1 122 . 12 1 1 A 11 11 THR C C 11 173.720 173.679 0.041 1
1 123 . 12 1 1 A 11 11 THR CA C 11 61.380 61.746 -0.366 1
1 124 . 12 1 1 A 11 11 THR CB C 11 71.950 71.140 0.810 1
1 126 . 12 1 1 A 11 11 THR N N 11 120.191 117.001 3.190 1
1 127 . 12 1 1 A 12 12 VAL H H 12 8.563 8.948 -0.385 1
1 128 . 12 1 1 A 12 12 VAL HA H 12 4.172 4.881 -0.709 1
1 136 . 12 1 1 A 12 12 VAL C C 12 175.380 174.633 0.747 1
1 137 . 12 1 1 A 12 12 VAL CA C 12 61.350 60.255 1.095 1
1 138 . 12 1 1 A 12 12 VAL CB C 12 33.053 33.683 -0.630 1
1 141 . 12 1 1 A 12 12 VAL N N 12 125.000 122.248 2.752 1
1 142 . 12 1 1 A 13 13 ASP H H 13 8.878 8.834 0.044 1
1 143 . 12 1 1 A 13 13 ASP HA H 13 4.501 4.442 0.059 1
1 146 . 12 1 1 A 13 13 ASP C C 13 177.180 177.028 0.152 1
1 147 . 12 1 1 A 13 13 ASP CA C 13 55.120 55.162 -0.042 1
1 148 . 12 1 1 A 13 13 ASP CB C 13 41.450 41.261 0.189 1
1 149 . 12 1 1 A 13 13 ASP N N 13 128.300 126.565 1.735 1
1 150 . 12 1 1 A 14 14 GLY H H 14 8.697 8.867 -0.170 1
1 151 . 12 1 1 A 14 14 GLY HA2 H 14 4.076 3.973 0.103 1
1 152 . 12 1 1 A 14 14 GLY HA3 H 14 3.719 3.974 -0.255 1
1 153 . 12 1 1 A 14 14 GLY C C 14 173.244 174.184 -0.940 1
1 154 . 12 1 1 A 14 14 GLY CA C 14 45.887 45.709 0.178 1
1 155 . 12 1 1 A 14 14 GLY N N 14 109.900 114.279 -4.379 1
1 156 . 12 1 1 A 15 15 ALA H H 15 7.360 7.688 -0.328 1
1 157 . 12 1 1 A 15 15 ALA HA H 15 4.601 4.271 0.330 1
1 161 . 12 1 1 A 15 15 ALA C C 15 176.240 177.001 -0.761 1
1 162 . 12 1 1 A 15 15 ALA CA C 15 51.370 52.477 -1.107 1
1 163 . 12 1 1 A 15 15 ALA CB C 15 20.970 18.924 2.046 1
1 164 . 12 1 1 A 15 15 ALA N N 15 121.213 123.895 -2.682 1
1 165 . 12 1 1 A 16 16 GLU H H 16 8.967 8.935 0.032 1
1 166 . 12 1 1 A 16 16 GLU HA H 16 4.406 4.482 -0.076 1
1 171 . 12 1 1 A 16 16 GLU C C 16 175.800 176.646 -0.846 1
1 172 . 12 1 1 A 16 16 GLU CA C 16 57.170 58.084 -0.914 1
1 173 . 12 1 1 A 16 16 GLU CB C 16 30.700 31.135 -0.435 1
1 175 . 12 1 1 A 16 16 GLU N N 16 120.800 124.823 -4.023 1
1 176 . 12 1 1 A 17 17 SER H H 17 7.587 7.864 -0.277 1
1 177 . 12 1 1 A 17 17 SER HA H 17 4.891 5.092 -0.201 1
1 180 . 12 1 1 A 17 17 SER C C 17 172.400 172.972 -0.572 1
1 181 . 12 1 1 A 17 17 SER CA C 17 57.797 57.513 0.284 1
1 182 . 12 1 1 A 17 17 SER CB C 17 64.571 65.997 -1.426 1
1 183 . 12 1 1 A 17 17 SER N N 17 111.600 113.875 -2.275 1
1 184 . 12 1 1 A 18 18 LEU H H 18 8.285 8.914 -0.629 1
1 185 . 12 1 1 A 18 18 LEU HA H 18 4.810 4.887 -0.077 1
1 195 . 12 1 1 A 18 18 LEU C C 18 175.800 175.717 0.083 1
1 196 . 12 1 1 A 18 18 LEU CA C 18 54.230 53.788 0.442 1
1 197 . 12 1 1 A 18 18 LEU CB C 18 47.430 45.181 2.249 1
1 201 . 12 1 1 A 18 18 LEU N N 18 122.165 121.957 0.208 1
1 202 . 12 1 1 A 19 19 ASN H H 19 8.920 8.696 0.224 1
1 203 . 12 1 1 A 19 19 ASN HA H 19 5.768 4.884 0.884 1
1 208 . 12 1 1 A 19 19 ASN C C 19 176.170 176.400 -0.230 1
1 209 . 12 1 1 A 19 19 ASN CA C 19 51.650 53.248 -1.598 1
1 210 . 12 1 1 A 19 19 ASN CB C 19 38.430 39.329 -0.899 1
1 211 . 12 1 1 A 19 19 ASN N N 19 118.700 117.924 0.776 1
1 213 . 12 1 1 A 20 20 VAL H H 20 7.805 8.575 -0.770 1
1 214 . 12 1 1 A 20 20 VAL HA H 20 3.297 3.621 -0.324 1
1 222 . 12 1 1 A 20 20 VAL C C 20 176.770 177.223 -0.453 1
1 223 . 12 1 1 A 20 20 VAL CA C 20 67.360 66.194 1.166 1
1 224 . 12 1 1 A 20 20 VAL CB C 20 30.940 31.509 -0.569 1
1 227 . 12 1 1 A 20 20 VAL N N 20 117.900 121.560 -3.660 1
1 228 . 12 1 1 A 21 21 THR H H 21 7.230 8.107 -0.877 1
1 229 . 12 1 1 A 21 21 THR HA H 21 3.665 3.774 -0.109 1
1 234 . 12 1 1 A 21 21 THR C C 21 177.360 175.977 1.383 1
1 235 . 12 1 1 A 21 21 THR CA C 21 67.077 66.985 0.092 1
1 236 . 12 1 1 A 21 21 THR CB C 21 68.460 68.766 -0.306 1
1 238 . 12 1 1 A 21 21 THR N N 21 117.400 116.790 0.610 1
1 239 . 12 1 1 A 22 22 GLU H H 22 8.750 7.832 0.918 1
1 240 . 12 1 1 A 22 22 GLU HA H 22 4.046 4.043 0.003 1
1 245 . 12 1 1 A 22 22 GLU C C 22 179.910 179.073 0.837 1
1 246 . 12 1 1 A 22 22 GLU CA C 22 58.550 59.162 -0.612 1
1 247 . 12 1 1 A 22 22 GLU CB C 22 30.550 29.628 0.922 1
1 249 . 12 1 1 A 22 22 GLU N N 22 121.238 120.009 1.229 1
1 250 . 12 1 1 A 23 23 LEU H H 23 8.766 8.094 0.672 1
1 251 . 12 1 1 A 23 23 LEU HA H 23 3.935 4.027 -0.092 1
1 261 . 12 1 1 A 23 23 LEU C C 23 177.800 178.315 -0.515 1
1 262 . 12 1 1 A 23 23 LEU CA C 23 58.240 58.310 -0.070 1
1 263 . 12 1 1 A 23 23 LEU CB C 23 41.844 41.540 0.304 1
1 267 . 12 1 1 A 23 23 LEU N N 23 123.900 122.491 1.409 1
1 268 . 12 1 1 A 24 24 LEU H H 24 8.305 8.537 -0.232 1
1 269 . 12 1 1 A 24 24 LEU HA H 24 3.690 3.870 -0.180 1
1 279 . 12 1 1 A 24 24 LEU C C 24 179.620 179.316 0.304 1
1 280 . 12 1 1 A 24 24 LEU CA C 24 58.010 57.919 0.091 1
1 281 . 12 1 1 A 24 24 LEU CB C 24 41.320 41.474 -0.154 1
1 285 . 12 1 1 A 24 24 LEU N N 24 117.100 119.012 -1.912 1
1 286 . 12 1 1 A 25 25 SER H H 25 7.226 7.958 -0.732 1
1 287 . 12 1 1 A 25 25 SER HA H 25 4.304 4.122 0.182 1
1 290 . 12 1 1 A 25 25 SER C C 25 178.100 177.025 1.075 1
1 291 . 12 1 1 A 25 25 SER CA C 25 60.900 61.214 -0.314 1
1 292 . 12 1 1 A 25 25 SER CB C 25 62.850 63.099 -0.249 1
1 293 . 12 1 1 A 25 25 SER N N 25 111.500 114.285 -2.785 1
1 294 . 12 1 1 A 26 26 ALA H H 26 8.712 8.463 0.249 1
1 295 . 12 1 1 A 26 26 ALA HA H 26 4.138 4.106 0.032 1
1 299 . 12 1 1 A 26 26 ALA C C 26 180.000 180.252 -0.252 1
1 300 . 12 1 1 A 26 26 ALA CA C 26 55.180 54.875 0.305 1
1 301 . 12 1 1 A 26 26 ALA CB C 26 18.200 18.339 -0.139 1
1 302 . 12 1 1 A 26 26 ALA N N 26 126.100 123.268 2.832 1
1 303 . 12 1 1 A 27 27 LEU H H 27 8.050 7.541 0.509 1
1 304 . 12 1 1 A 27 27 LEU HA H 27 4.314 4.112 0.202 1
1 314 . 12 1 1 A 27 27 LEU C C 27 175.810 176.456 -0.646 1
1 315 . 12 1 1 A 27 27 LEU CA C 27 54.307 55.449 -1.142 1
1 316 . 12 1 1 A 27 27 LEU CB C 27 42.021 41.909 0.112 1
1 320 . 12 1 1 A 27 27 LEU N N 27 114.250 116.694 -2.444 1
1 321 . 12 1 1 A 28 28 LYS H H 28 7.766 7.966 -0.200 1
1 322 . 12 1 1 A 28 28 LYS HA H 28 3.869 3.924 -0.055 1
1 331 . 12 1 1 A 28 28 LYS C C 28 176.030 176.312 -0.282 1
1 332 . 12 1 1 A 28 28 LYS CA C 28 56.630 57.461 -0.831 1
1 333 . 12 1 1 A 28 28 LYS CB C 28 28.893 31.144 -2.251 1
1 337 . 12 1 1 A 28 28 LYS N N 28 117.700 119.185 -1.485 1
1 338 . 12 1 1 A 29 29 VAL H H 29 7.583 7.428 0.155 1
1 339 . 12 1 1 A 29 29 VAL HA H 29 3.520 4.087 -0.567 1
1 347 . 12 1 1 A 29 29 VAL C C 29 176.410 177.016 -0.606 1
1 348 . 12 1 1 A 29 29 VAL CA C 29 63.741 62.866 0.875 1
1 349 . 12 1 1 A 29 29 VAL CB C 29 31.840 32.620 -0.780 1
1 352 . 12 1 1 A 29 29 VAL N N 29 119.200 119.051 0.149 1
1 353 . 12 1 1 A 30 30 ALA H H 30 8.543 8.783 -0.240 1
1 354 . 12 1 1 A 30 30 ALA HA H 30 4.215 4.116 0.099 1
1 358 . 12 1 1 A 30 30 ALA C C 30 177.710 177.893 -0.183 1
1 359 . 12 1 1 A 30 30 ALA CA C 30 52.330 54.484 -2.154 1
1 360 . 12 1 1 A 30 30 ALA CB C 30 19.170 18.698 0.472 1
1 361 . 12 1 1 A 30 30 ALA N N 30 131.100 130.659 0.441 1
1 362 . 12 1 1 A 31 31 GLN H H 31 8.982 7.669 1.313 1
1 363 . 12 1 1 A 31 31 GLN HA H 31 4.162 4.753 -0.591 1
1 370 . 12 1 1 A 31 31 GLN C C 31 176.670 175.869 0.801 1
1 371 . 12 1 1 A 31 31 GLN CA C 31 56.100 53.952 2.148 1
1 372 . 12 1 1 A 31 31 GLN CB C 31 27.390 27.691 -0.301 1
1 374 . 12 1 1 A 31 31 GLN N N 31 117.300 117.248 0.052 1
1 376 . 12 1 1 A 32 32 ALA H H 32 8.029 8.728 -0.699 1
1 377 . 12 1 1 A 32 32 ALA HA H 32 3.738 4.175 -0.437 1
1 381 . 12 1 1 A 32 32 ALA C C 32 178.700 179.317 -0.617 1
1 382 . 12 1 1 A 32 32 ALA CA C 32 55.010 54.352 0.658 1
1 383 . 12 1 1 A 32 32 ALA CB C 32 18.647 19.118 -0.471 1
1 384 . 12 1 1 A 32 32 ALA N N 32 119.900 127.612 -7.712 1
1 385 . 12 1 1 A 33 33 GLU H H 33 9.338 8.104 1.234 1
1 386 . 12 1 1 A 33 33 GLU HA H 33 4.037 4.007 0.030 1
1 391 . 12 1 1 A 33 33 GLU C C 33 176.370 177.188 -0.818 1
1 392 . 12 1 1 A 33 33 GLU CA C 33 58.280 58.738 -0.458 1
1 393 . 12 1 1 A 33 33 GLU CB C 33 28.670 29.154 -0.484 1
1 395 . 12 1 1 A 33 33 GLU N N 33 116.800 119.658 -2.858 1
1 396 . 12 1 1 A 34 34 TYR H H 34 8.063 8.045 0.018 1
1 397 . 12 1 1 A 34 34 TYR HA H 34 4.820 4.882 -0.062 1
1 404 . 12 1 1 A 34 34 TYR C C 34 175.460 175.036 0.424 1
1 405 . 12 1 1 A 34 34 TYR CA C 34 56.800 57.535 -0.735 1
1 406 . 12 1 1 A 34 34 TYR CB C 34 39.810 38.752 1.058 1
1 411 . 12 1 1 A 34 34 TYR N N 34 116.100 116.631 -0.531 1
1 412 . 12 1 1 A 35 35 VAL H H 35 7.330 7.281 0.049 1
1 413 . 12 1 1 A 35 35 VAL HA H 35 4.689 3.783 0.906 1
1 421 . 12 1 1 A 35 35 VAL C C 35 173.700 174.287 -0.587 1
1 422 . 12 1 1 A 35 35 VAL CA C 35 61.550 60.633 0.917 1
1 423 . 12 1 1 A 35 35 VAL CB C 35 33.650 32.967 0.683 1
1 426 . 12 1 1 A 35 35 VAL N N 35 121.200 120.590 0.610 1
1 427 . 12 1 1 A 36 36 THR H H 36 8.879 7.828 1.051 1
1 428 . 12 1 1 A 36 36 THR HA H 36 4.696 4.774 -0.078 1
1 433 . 12 1 1 A 36 36 THR C C 36 172.930 173.815 -0.885 1
1 434 . 12 1 1 A 36 36 THR CA C 36 62.300 61.882 0.418 1
1 435 . 12 1 1 A 36 36 THR CB C 36 70.500 69.111 1.389 1
1 437 . 12 1 1 A 36 36 THR N N 36 126.800 122.784 4.016 1
1 438 . 12 1 1 A 37 37 VAL H H 37 9.616 8.926 0.690 1
1 439 . 12 1 1 A 37 37 VAL HA H 37 5.072 4.592 0.480 1
1 447 . 12 1 1 A 37 37 VAL C C 37 174.820 174.836 -0.016 1
1 448 . 12 1 1 A 37 37 VAL CA C 37 59.440 58.950 0.490 1
1 449 . 12 1 1 A 37 37 VAL CB C 37 35.270 34.310 0.960 1
1 452 . 12 1 1 A 37 37 VAL N N 37 127.600 120.351 7.249 1
1 453 . 12 1 1 A 38 38 GLU H H 38 8.934 9.070 -0.136 1
1 454 . 12 1 1 A 38 38 GLU HA H 38 5.059 5.232 -0.173 1
1 459 . 12 1 1 A 38 38 GLU C C 38 174.850 174.730 0.120 1
1 460 . 12 1 1 A 38 38 GLU CA C 38 53.989 54.668 -0.679 1
1 461 . 12 1 1 A 38 38 GLU CB C 38 32.599 32.605 -0.006 1
1 463 . 12 1 1 A 38 38 GLU N N 38 126.700 123.880 2.820 1
1 464 . 12 1 1 A 39 39 LEU H H 39 9.004 8.905 0.099 1
1 465 . 12 1 1 A 39 39 LEU HA H 39 5.082 4.507 0.575 1
1 474 . 12 1 1 A 39 39 LEU C C 39 175.890 176.877 -0.987 1
1 475 . 12 1 1 A 39 39 LEU CA C 39 53.030 54.056 -1.026 1
1 476 . 12 1 1 A 39 39 LEU CB C 39 45.640 42.494 3.146 1
1 479 . 12 1 1 A 39 39 LEU N N 39 128.700 125.610 3.090 1
1 480 . 12 1 1 A 40 40 ASN H H 40 10.210 9.670 0.540 1
1 481 . 12 1 1 A 40 40 ASN HA H 40 4.495 4.429 0.066 1
1 486 . 12 1 1 A 40 40 ASN C C 40 175.620 175.407 0.213 1
1 487 . 12 1 1 A 40 40 ASN CA C 40 54.540 54.606 -0.066 1
1 488 . 12 1 1 A 40 40 ASN CB C 40 37.280 37.190 0.090 1
1 489 . 12 1 1 A 40 40 ASN N N 40 128.749 125.426 3.323 1
1 491 . 12 1 1 A 41 41 GLY H H 41 8.913 8.476 0.437 1
1 492 . 12 1 1 A 41 41 GLY HA2 H 41 4.162 4.055 0.107 1
1 493 . 12 1 1 A 41 41 GLY HA3 H 41 3.625 4.056 -0.431 1
1 494 . 12 1 1 A 41 41 GLY C C 41 173.380 173.617 -0.237 1
1 495 . 12 1 1 A 41 41 GLY CA C 41 45.220 45.366 -0.146 1
1 496 . 12 1 1 A 41 41 GLY N N 41 102.811 105.746 -2.935 1
1 497 . 12 1 1 A 42 42 GLU H H 42 7.716 7.468 0.248 1
1 498 . 12 1 1 A 42 42 GLU HA H 42 4.655 4.912 -0.257 1
1 503 . 12 1 1 A 42 42 GLU C C 42 175.300 175.417 -0.117 1
1 504 . 12 1 1 A 42 42 GLU CA C 42 54.190 54.830 -0.640 1
1 505 . 12 1 1 A 42 42 GLU CB C 42 31.770 32.712 -0.942 1
1 507 . 12 1 1 A 42 42 GLU N N 42 120.731 121.172 -0.441 1
1 508 . 12 1 1 A 43 43 VAL H H 43 8.872 8.504 0.368 1
1 509 . 12 1 1 A 43 43 VAL HA H 43 4.025 4.449 -0.424 1
1 517 . 12 1 1 A 43 43 VAL C C 43 176.260 175.968 0.292 1
1 518 . 12 1 1 A 43 43 VAL CA C 43 64.110 62.735 1.375 1
1 519 . 12 1 1 A 43 43 VAL CB C 43 31.500 33.010 -1.510 1
1 522 . 12 1 1 A 43 43 VAL N N 43 126.800 126.213 0.587 1
1 523 . 12 1 1 A 44 44 LEU H H 44 8.810 8.797 0.013 1
1 524 . 12 1 1 A 44 44 LEU HA H 44 4.656 4.710 -0.054 1
1 534 . 12 1 1 A 44 44 LEU C C 44 177.620 176.251 1.369 1
1 535 . 12 1 1 A 44 44 LEU CA C 44 53.750 53.591 0.159 1
1 536 . 12 1 1 A 44 44 LEU CB C 44 44.080 43.086 0.994 1
1 540 . 12 1 1 A 44 44 LEU N N 44 129.200 128.179 1.021 1
1 541 . 12 1 1 A 45 45 GLU H H 45 8.742 8.488 0.254 1
1 542 . 12 1 1 A 45 45 GLU HA H 45 4.465 4.262 0.203 1
1 547 . 12 1 1 A 45 45 GLU C C 45 177.440 177.385 0.055 1
1 548 . 12 1 1 A 45 45 GLU CA C 45 55.270 56.463 -1.193 1
1 549 . 12 1 1 A 45 45 GLU CB C 45 29.830 31.802 -1.972 1
1 551 . 12 1 1 A 45 45 GLU N N 45 122.500 123.704 -1.204 1
1 552 . 12 1 1 A 46 46 ARG H H 46 8.674 8.541 0.133 1
1 553 . 12 1 1 A 46 46 ARG HA H 46 2.384 2.993 -0.609 1
1 560 . 12 1 1 A 46 46 ARG C C 46 179.080 177.206 1.874 1
1 561 . 12 1 1 A 46 46 ARG CA C 46 58.150 59.071 -0.921 1
1 562 . 12 1 1 A 46 46 ARG CB C 46 29.050 29.922 -0.872 1
1 565 . 12 1 1 A 46 46 ARG N N 46 124.600 124.881 -0.281 1
1 566 . 12 1 1 A 47 47 GLU H H 47 9.010 7.568 1.442 1
1 567 . 12 1 1 A 47 47 GLU HA H 47 4.008 4.094 -0.086 1
1 572 . 12 1 1 A 47 47 GLU C C 47 176.700 177.203 -0.503 1
1 573 . 12 1 1 A 47 47 GLU CA C 47 58.720 55.884 2.836 1
1 574 . 12 1 1 A 47 47 GLU CB C 47 28.590 29.300 -0.710 1
1 576 . 12 1 1 A 47 47 GLU N N 47 117.300 117.618 -0.318 1
1 577 . 12 1 1 A 48 48 ALA H H 48 8.011 7.546 0.465 1
1 578 . 12 1 1 A 48 48 ALA HA H 48 4.749 4.541 0.208 1
1 582 . 12 1 1 A 48 48 ALA C C 48 180.070 177.957 2.113 1
1 583 . 12 1 1 A 48 48 ALA CA C 48 51.780 51.490 0.290 1
1 584 . 12 1 1 A 48 48 ALA CB C 48 19.390 19.887 -0.497 1
1 585 . 12 1 1 A 48 48 ALA N N 48 120.200 123.098 -2.898 1
1 586 . 12 1 1 A 49 49 PHE H H 49 8.002 7.152 0.850 1
1 587 . 12 1 1 A 49 49 PHE HA H 49 4.305 4.172 0.133 1
1 594 . 12 1 1 A 49 49 PHE C C 49 177.710 177.855 -0.145 1
1 595 . 12 1 1 A 49 49 PHE CA C 49 59.969 61.334 -1.365 1
1 596 . 12 1 1 A 49 49 PHE CB C 49 36.820 38.354 -1.534 1
1 601 . 12 1 1 A 49 49 PHE N N 49 123.801 117.520 6.281 1
1 602 . 12 1 1 A 50 50 ASP H H 50 8.558 8.268 0.290 1
1 603 . 12 1 1 A 50 50 ASP HA H 50 4.561 4.371 0.190 1
1 606 . 12 1 1 A 50 50 ASP C C 50 176.610 178.655 -2.045 1
1 607 . 12 1 1 A 50 50 ASP CA C 50 56.100 57.172 -1.072 1
1 608 . 12 1 1 A 50 50 ASP CB C 50 40.350 40.777 -0.427 1
1 609 . 12 1 1 A 50 50 ASP N N 50 115.500 119.188 -3.688 1
1 610 . 12 1 1 A 51 51 ALA H H 51 7.539 7.852 -0.313 1
1 611 . 12 1 1 A 51 51 ALA HA H 51 4.498 4.161 0.337 1
1 615 . 12 1 1 A 51 51 ALA C C 51 177.370 178.048 -0.678 1
1 616 . 12 1 1 A 51 51 ALA CA C 51 51.850 55.031 -3.181 1
1 617 . 12 1 1 A 51 51 ALA CB C 51 20.280 18.760 1.520 1
1 618 . 12 1 1 A 51 51 ALA N N 51 119.500 120.023 -0.523 1
1 619 . 12 1 1 A 52 52 THR H H 52 7.503 7.847 -0.344 1
1 620 . 12 1 1 A 52 52 THR HA H 52 4.376 4.477 -0.101 1
1 625 . 12 1 1 A 52 52 THR C C 52 172.780 174.017 -1.237 1
1 626 . 12 1 1 A 52 52 THR CA C 52 63.450 62.210 1.240 1
1 627 . 12 1 1 A 52 52 THR CB C 52 69.910 69.690 0.220 1
1 629 . 12 1 1 A 52 52 THR N N 52 117.700 112.936 4.764 1
1 630 . 12 1 1 A 53 53 THR H H 53 8.354 8.943 -0.589 1
1 631 . 12 1 1 A 53 53 THR HA H 53 4.521 4.893 -0.372 1
1 636 . 12 1 1 A 53 53 THR C C 53 173.000 174.247 -1.247 1
1 637 . 12 1 1 A 53 53 THR CA C 53 62.110 62.060 0.050 1
1 638 . 12 1 1 A 53 53 THR CB C 53 70.380 69.523 0.857 1
1 640 . 12 1 1 A 53 53 THR N N 53 120.700 123.348 -2.648 1
1 641 . 12 1 1 A 54 54 VAL H H 54 9.223 8.785 0.438 1
1 642 . 12 1 1 A 54 54 VAL HA H 54 4.256 4.324 -0.068 1
1 650 . 12 1 1 A 54 54 VAL C C 54 173.500 175.694 -2.194 1
1 651 . 12 1 1 A 54 54 VAL CA C 54 61.330 62.455 -1.125 1
1 652 . 12 1 1 A 54 54 VAL CB C 54 33.090 32.354 0.736 1
1 655 . 12 1 1 A 54 54 VAL N N 54 126.200 127.247 -1.047 1
1 656 . 12 1 1 A 55 55 LYS H H 55 9.074 8.851 0.223 1
1 657 . 12 1 1 A 55 55 LYS HA H 55 4.847 4.991 -0.144 1
1 666 . 12 1 1 A 55 55 LYS C C 55 174.610 174.211 0.399 1
1 667 . 12 1 1 A 55 55 LYS CA C 55 54.265 54.011 0.254 1
1 668 . 12 1 1 A 55 55 LYS CB C 55 36.111 35.373 0.738 1
1 672 . 12 1 1 A 55 55 LYS N N 55 124.700 123.481 1.219 1
1 673 . 12 1 1 A 56 56 ASP H H 56 8.111 8.616 -0.505 1
1 674 . 12 1 1 A 56 56 ASP HA H 56 4.553 4.364 0.189 1
1 677 . 12 1 1 A 56 56 ASP C C 56 177.720 176.934 0.786 1
1 678 . 12 1 1 A 56 56 ASP CA C 56 56.040 55.715 0.325 1
1 679 . 12 1 1 A 56 56 ASP CB C 56 43.070 40.582 2.488 1
1 680 . 12 1 1 A 56 56 ASP N N 56 116.700 121.698 -4.998 1
1 681 . 12 1 1 A 57 57 GLY H H 57 9.330 9.037 0.293 1
1 682 . 12 1 1 A 57 57 GLY HA2 H 57 4.343 4.009 0.334 1
1 683 . 12 1 1 A 57 57 GLY HA3 H 57 3.652 4.009 -0.357 1
1 684 . 12 1 1 A 57 57 GLY C C 57 175.140 173.753 1.387 1
1 685 . 12 1 1 A 57 57 GLY CA C 57 44.869 45.219 -0.350 1
1 686 . 12 1 1 A 57 57 GLY N N 57 113.900 113.655 0.245 1
1 687 . 12 1 1 A 58 58 ASP H H 58 8.104 8.010 0.094 1
1 688 . 12 1 1 A 58 58 ASP HA H 58 4.808 4.956 -0.148 1
1 691 . 12 1 1 A 58 58 ASP C C 58 174.100 174.936 -0.836 1
1 692 . 12 1 1 A 58 58 ASP CA C 58 55.700 53.070 2.630 1
1 693 . 12 1 1 A 58 58 ASP CB C 58 42.080 43.044 -0.964 1
1 694 . 12 1 1 A 58 58 ASP N N 58 122.600 120.207 2.393 1
1 695 . 12 1 1 A 59 59 ALA H H 59 8.326 8.853 -0.527 1
1 696 . 12 1 1 A 59 59 ALA HA H 59 5.208 4.959 0.249 1
1 700 . 12 1 1 A 59 59 ALA C C 59 174.350 176.360 -2.010 1
1 701 . 12 1 1 A 59 59 ALA CA C 59 50.110 50.845 -0.735 1
1 702 . 12 1 1 A 59 59 ALA CB C 59 20.760 20.202 0.558 1
1 703 . 12 1 1 A 59 59 ALA N N 59 121.100 126.155 -5.055 1
1 704 . 12 1 1 A 60 60 VAL H H 60 9.061 8.713 0.348 1
1 705 . 12 1 1 A 60 60 VAL HA H 60 4.117 5.249 -1.132 1
1 713 . 12 1 1 A 60 60 VAL C C 60 174.300 174.546 -0.246 1
1 714 . 12 1 1 A 60 60 VAL CA C 60 61.830 60.724 1.106 1
1 715 . 12 1 1 A 60 60 VAL CB C 60 33.640 33.171 0.469 1
1 718 . 12 1 1 A 60 60 VAL N N 60 121.800 119.462 2.338 1
1 719 . 12 1 1 A 61 61 GLU H H 61 9.027 8.768 0.259 1
1 720 . 12 1 1 A 61 61 GLU HA H 61 4.778 4.691 0.087 1
1 725 . 12 1 1 A 61 61 GLU C C 61 176.200 175.311 0.889 1
1 726 . 12 1 1 A 61 61 GLU CA C 61 54.152 56.358 -2.206 1
1 727 . 12 1 1 A 61 61 GLU CB C 61 32.477 29.941 2.536 1
1 729 . 12 1 1 A 61 61 GLU N N 61 123.900 128.383 -4.483 1
1 730 . 12 1 1 A 62 62 PHE H H 62 9.075 8.769 0.306 1
1 731 . 12 1 1 A 62 62 PHE HA H 62 5.317 4.907 0.410 1
1 739 . 12 1 1 A 62 62 PHE C C 62 174.490 175.523 -1.033 1
1 740 . 12 1 1 A 62 62 PHE CA C 62 54.910 58.249 -3.339 1
1 741 . 12 1 1 A 62 62 PHE CB C 62 39.640 40.743 -1.103 1
1 747 . 12 1 1 A 62 62 PHE N N 62 122.000 125.277 -3.277 1
1 748 . 12 1 1 A 63 63 LEU H H 63 8.996 8.841 0.155 1
1 749 . 12 1 1 A 63 63 LEU HA H 63 4.643 4.624 0.019 1
1 759 . 12 1 1 A 63 63 LEU C C 63 175.030 175.002 0.028 1
1 760 . 12 1 1 A 63 63 LEU CA C 63 53.630 53.155 0.475 1
1 761 . 12 1 1 A 63 63 LEU CB C 63 44.680 44.585 0.095 1
1 765 . 12 1 1 A 63 63 LEU N N 63 125.000 118.006 6.994 1
1 766 . 12 1 1 A 64 64 TYR H H 64 8.669 8.217 0.452 1
1 767 . 12 1 1 A 64 64 TYR HA H 64 4.758 3.918 0.840 1
1 774 . 12 1 1 A 64 64 TYR C C 64 175.630 174.378 1.252 1
1 775 . 12 1 1 A 64 64 TYR CA C 64 57.460 59.420 -1.960 1
1 776 . 12 1 1 A 64 64 TYR CB C 64 39.690 35.247 4.443 1
1 781 . 12 1 1 A 64 64 TYR N N 64 120.100 118.344 1.756 1
1 782 . 12 1 1 A 65 65 PHE H H 65 8.688 7.886 0.802 1
1 783 . 12 1 1 A 65 65 PHE HA H 65 4.777 5.247 -0.470 1
1 791 . 12 1 1 A 65 65 PHE C C 65 175.940 174.319 1.621 1
1 792 . 12 1 1 A 65 65 PHE CA C 65 57.325 56.483 0.842 1
1 793 . 12 1 1 A 65 65 PHE CB C 65 39.340 40.882 -1.542 1
1 799 . 12 1 1 A 65 65 PHE N N 65 122.100 120.089 2.011 1
1 800 . 12 1 1 A 66 66 MET H H 66 8.611 8.907 -0.296 1
1 801 . 12 1 1 A 66 66 MET HA H 66 4.537 5.264 -0.727 1
1 806 . 12 1 1 A 66 66 MET C C 66 176.630 175.295 1.335 1
1 807 . 12 1 1 A 66 66 MET CA C 66 55.370 54.332 1.038 1
1 808 . 12 1 1 A 66 66 MET CB C 66 32.710 37.588 -4.878 1
1 810 . 12 1 1 A 66 66 MET N N 66 121.700 121.098 0.602 1
1 811 . 12 1 1 A 67 67 GLY H H 67 8.213 8.441 -0.228 1
1 812 . 12 1 1 A 67 67 GLY HA2 H 67 3.928 4.131 -0.203 1
1 813 . 12 1 1 A 67 67 GLY HA3 H 67 3.928 4.140 -0.212 1
1 814 . 12 1 1 A 67 67 GLY C C 67 174.800 174.656 0.144 1
1 815 . 12 1 1 A 67 67 GLY CA C 67 45.359 45.549 -0.190 1
1 816 . 12 1 1 A 67 67 GLY N N 67 109.600 107.891 1.709 1
1 817 . 12 1 1 A 68 68 GLY H H 68 8.353 8.505 -0.152 1
1 818 . 12 1 1 A 68 68 GLY HA2 H 68 4.862 3.822 1.040 1
1 819 . 12 1 1 A 68 68 GLY HA3 H 68 4.861 3.822 1.039 1
1 820 . 12 1 1 A 68 68 GLY C C 68 174.760 174.610 0.150 1
1 821 . 12 1 1 A 68 68 GLY CA C 68 45.402 46.811 -1.409 1
1 822 . 12 1 1 A 68 68 GLY N N 68 108.600 108.970 -0.370 1
1 823 . 12 1 1 A 69 69 GLY H H 69 8.406 8.751 -0.345 1
1 824 . 12 1 1 A 69 69 GLY HA2 H 69 3.953 4.008 -0.055 1
1 825 . 12 1 1 A 69 69 GLY HA3 H 69 3.953 4.015 -0.062 1
1 826 . 12 1 1 A 69 69 GLY C C 69 174.070 174.574 -0.504 1
1 827 . 12 1 1 A 69 69 GLY CA C 69 45.242 45.447 -0.205 1
1 828 . 12 1 1 A 69 69 GLY N N 69 109.100 108.277 0.823 1
1 829 . 12 1 1 A 70 70 LYS H H 70 8.153 8.329 -0.176 1
1 830 . 12 1 1 A 70 70 LYS HA H 70 4.255 4.093 0.162 1
1 839 . 12 1 1 A 70 70 LYS C C 70 176.490 175.056 1.434 1
1 840 . 12 1 1 A 70 70 LYS CA C 70 56.370 56.935 -0.565 1
1 841 . 12 1 1 A 70 70 LYS CB C 70 33.130 31.396 1.734 1
1 845 . 12 1 1 A 70 70 LYS N N 70 120.500 115.872 4.628 1
1 846 . 12 1 1 A 71 71 LEU H H 71 8.253 8.433 -0.180 1
1 847 . 12 1 1 A 71 71 LEU HA H 71 4.285 4.609 -0.324 1
1 857 . 12 1 1 A 71 71 LEU C C 71 177.110 174.898 2.212 1
1 858 . 12 1 1 A 71 71 LEU CA C 71 55.120 54.373 0.747 1
1 859 . 12 1 1 A 71 71 LEU CB C 71 42.236 42.311 -0.075 1
1 863 . 12 1 1 A 71 71 LEU N N 71 122.905 126.088 -3.183 1
1 864 . 12 1 1 A 72 72 GLU H H 72 8.343 8.879 -0.536 1
1 865 . 12 1 1 A 72 72 GLU HA H 72 4.238 4.725 -0.487 1
1 870 . 12 1 1 A 72 72 GLU C C 72 176.100 175.808 0.292 1
1 871 . 12 1 1 A 72 72 GLU CA C 72 56.760 56.093 0.667 1
1 872 . 12 1 1 A 72 72 GLU CB C 72 30.619 30.480 0.139 1
1 874 . 12 1 1 A 72 72 GLU N N 72 121.500 127.729 -6.229 1
1 875 . 12 1 1 A 73 73 HIS H H 73 8.404 8.603 -0.199 1
1 876 . 12 1 1 A 73 73 HIS HA H 73 4.593 4.900 -0.307 1
1 879 . 12 1 1 A 73 73 HIS C C 73 173.840 172.734 1.106 1
1 880 . 12 1 1 A 73 73 HIS CA C 73 55.777 55.334 0.443 1
1 881 . 12 1 1 A 73 73 HIS CB C 73 30.080 31.752 -1.672 1
1 882 . 12 1 1 A 73 73 HIS N N 73 119.733 123.309 -3.576 1
1 883 . 12 1 1 A 74 74 HIS H H 74 8.213 8.866 -0.653 1
1 884 . 12 1 1 A 74 74 HIS CA C 74 57.175 55.726 1.449 1
1 885 . 12 1 1 A 74 74 HIS CB C 74 30.671 31.116 -0.445 1
1 9 . 13 1 1 A 2 2 ASN H H 2 9.645 8.807 0.838 1
1 10 . 13 1 1 A 2 2 ASN HA H 2 5.430 5.131 0.299 1
1 15 . 13 1 1 A 2 2 ASN CA C 2 52.761 52.841 -0.080 1
1 16 . 13 1 1 A 2 2 ASN CB C 2 40.140 39.617 0.523 1
1 17 . 13 1 1 A 2 2 ASN N N 2 125.300 119.226 6.074 1
1 19 . 13 1 1 A 3 3 LEU H H 3 8.769 8.842 -0.073 1
1 20 . 13 1 1 A 3 3 LEU HA H 3 4.949 5.295 -0.346 1
1 30 . 13 1 1 A 3 3 LEU C C 3 176.320 175.699 0.621 1
1 31 . 13 1 1 A 3 3 LEU CA C 3 54.223 53.356 0.867 1
1 32 . 13 1 1 A 3 3 LEU CB C 3 45.941 45.070 0.871 1
1 36 . 13 1 1 A 3 3 LEU N N 3 121.800 124.947 -3.147 1
1 37 . 13 1 1 A 4 4 THR H H 4 8.329 9.007 -0.678 1
1 38 . 13 1 1 A 4 4 THR HA H 4 4.744 4.849 -0.105 1
1 43 . 13 1 1 A 4 4 THR C C 4 173.650 173.831 -0.181 1
1 44 . 13 1 1 A 4 4 THR CA C 4 62.150 61.904 0.246 1
1 45 . 13 1 1 A 4 4 THR CB C 4 69.430 68.807 0.623 1
1 47 . 13 1 1 A 4 4 THR N N 4 116.200 120.886 -4.686 1
1 48 . 13 1 1 A 5 5 VAL H H 5 8.955 8.508 0.447 1
1 49 . 13 1 1 A 5 5 VAL HA H 5 4.683 4.488 0.195 1
1 57 . 13 1 1 A 5 5 VAL C C 5 176.470 175.603 0.867 1
1 58 . 13 1 1 A 5 5 VAL CA C 5 60.724 61.125 -0.401 1
1 59 . 13 1 1 A 5 5 VAL CB C 5 33.590 33.244 0.346 1
1 62 . 13 1 1 A 5 5 VAL N N 5 126.000 123.326 2.674 1
1 63 . 13 1 1 A 6 6 ASN H H 6 9.534 9.538 -0.004 1
1 64 . 13 1 1 A 6 6 ASN HA H 6 4.636 4.514 0.122 1
1 69 . 13 1 1 A 6 6 ASN C C 6 175.900 175.676 0.224 1
1 70 . 13 1 1 A 6 6 ASN CA C 6 54.150 54.686 -0.536 1
1 71 . 13 1 1 A 6 6 ASN CB C 6 36.410 37.545 -1.135 1
1 72 . 13 1 1 A 6 6 ASN N N 6 129.400 121.379 8.021 1
1 74 . 13 1 1 A 7 7 GLY H H 7 8.915 8.630 0.285 1
1 75 . 13 1 1 A 7 7 GLY HA2 H 7 4.170 3.838 0.332 1
1 76 . 13 1 1 A 7 7 GLY HA3 H 7 3.485 3.842 -0.357 1
1 77 . 13 1 1 A 7 7 GLY C C 7 173.950 173.770 0.180 1
1 78 . 13 1 1 A 7 7 GLY CA C 7 45.337 45.682 -0.345 1
1 79 . 13 1 1 A 7 7 GLY N N 7 102.200 103.387 -1.187 1
1 80 . 13 1 1 A 8 8 LYS H H 8 7.900 8.019 -0.119 1
1 81 . 13 1 1 A 8 8 LYS HA H 8 4.987 4.733 0.254 1
1 90 . 13 1 1 A 8 8 LYS CA C 8 52.940 52.866 0.074 1
1 91 . 13 1 1 A 8 8 LYS CB C 8 34.010 34.275 -0.265 1
1 95 . 13 1 1 A 8 8 LYS N N 8 121.700 122.044 -0.344 1
1 96 . 13 1 1 A 9 9 PRO HA H 9 4.700 5.034 -0.334 1
1 103 . 13 1 1 A 9 9 PRO C C 9 176.900 175.749 1.151 1
1 104 . 13 1 1 A 9 9 PRO CA C 9 63.990 62.141 1.849 1
1 105 . 13 1 1 A 9 9 PRO CB C 9 32.000 32.387 -0.387 1
1 108 . 13 1 1 A 10 10 SER H H 10 8.970 9.007 -0.037 1
1 109 . 13 1 1 A 10 10 SER HA H 10 4.822 4.929 -0.107 1
1 112 . 13 1 1 A 10 10 SER C C 10 172.800 172.760 0.040 1
1 113 . 13 1 1 A 10 10 SER CA C 10 57.880 56.862 1.018 1
1 114 . 13 1 1 A 10 10 SER CB C 10 66.361 65.273 1.088 1
1 115 . 13 1 1 A 10 10 SER N N 10 120.300 116.329 3.971 1
1 116 . 13 1 1 A 11 11 THR H H 11 8.590 8.913 -0.323 1
1 117 . 13 1 1 A 11 11 THR HA H 11 5.163 4.652 0.511 1
1 122 . 13 1 1 A 11 11 THR C C 11 173.720 173.561 0.159 1
1 123 . 13 1 1 A 11 11 THR CA C 11 61.380 62.374 -0.994 1
1 124 . 13 1 1 A 11 11 THR CB C 11 71.950 68.378 3.572 1
1 126 . 13 1 1 A 11 11 THR N N 11 120.191 122.979 -2.788 1
1 127 . 13 1 1 A 12 12 VAL H H 12 8.563 8.264 0.299 1
1 128 . 13 1 1 A 12 12 VAL HA H 12 4.172 4.668 -0.496 1
1 136 . 13 1 1 A 12 12 VAL C C 12 175.380 174.485 0.895 1
1 137 . 13 1 1 A 12 12 VAL CA C 12 61.350 61.134 0.216 1
1 138 . 13 1 1 A 12 12 VAL CB C 12 33.053 32.594 0.459 1
1 141 . 13 1 1 A 12 12 VAL N N 12 125.000 123.452 1.548 1
1 142 . 13 1 1 A 13 13 ASP H H 13 8.878 8.831 0.047 1
1 143 . 13 1 1 A 13 13 ASP HA H 13 4.501 4.367 0.134 1
1 146 . 13 1 1 A 13 13 ASP C C 13 177.180 176.990 0.190 1
1 147 . 13 1 1 A 13 13 ASP CA C 13 55.120 55.202 -0.082 1
1 148 . 13 1 1 A 13 13 ASP CB C 13 41.450 41.370 0.080 1
1 149 . 13 1 1 A 13 13 ASP N N 13 128.300 128.040 0.260 1
1 150 . 13 1 1 A 14 14 GLY H H 14 8.697 8.860 -0.163 1
1 151 . 13 1 1 A 14 14 GLY HA2 H 14 4.076 3.974 0.102 1
1 152 . 13 1 1 A 14 14 GLY HA3 H 14 3.719 3.977 -0.258 1
1 153 . 13 1 1 A 14 14 GLY C C 14 173.244 174.266 -1.022 1
1 154 . 13 1 1 A 14 14 GLY CA C 14 45.887 45.330 0.557 1
1 155 . 13 1 1 A 14 14 GLY N N 14 109.900 113.863 -3.963 1
1 156 . 13 1 1 A 15 15 ALA H H 15 7.360 7.760 -0.400 1
1 157 . 13 1 1 A 15 15 ALA HA H 15 4.601 4.297 0.304 1
1 161 . 13 1 1 A 15 15 ALA C C 15 176.240 176.827 -0.587 1
1 162 . 13 1 1 A 15 15 ALA CA C 15 51.370 52.202 -0.832 1
1 163 . 13 1 1 A 15 15 ALA CB C 15 20.970 19.003 1.967 1
1 164 . 13 1 1 A 15 15 ALA N N 15 121.213 123.377 -2.164 1
1 165 . 13 1 1 A 16 16 GLU H H 16 8.967 8.965 0.002 1
1 166 . 13 1 1 A 16 16 GLU HA H 16 4.406 4.631 -0.225 1
1 171 . 13 1 1 A 16 16 GLU C C 16 175.800 176.487 -0.687 1
1 172 . 13 1 1 A 16 16 GLU CA C 16 57.170 57.324 -0.154 1
1 173 . 13 1 1 A 16 16 GLU CB C 16 30.700 32.185 -1.485 1
1 175 . 13 1 1 A 16 16 GLU N N 16 120.800 122.695 -1.895 1
1 176 . 13 1 1 A 17 17 SER H H 17 7.587 7.981 -0.394 1
1 177 . 13 1 1 A 17 17 SER HA H 17 4.891 4.933 -0.042 1
1 180 . 13 1 1 A 17 17 SER C C 17 172.400 172.828 -0.428 1
1 181 . 13 1 1 A 17 17 SER CA C 17 57.797 57.738 0.059 1
1 182 . 13 1 1 A 17 17 SER CB C 17 64.571 65.371 -0.800 1
1 183 . 13 1 1 A 17 17 SER N N 17 111.600 111.525 0.075 1
1 184 . 13 1 1 A 18 18 LEU H H 18 8.285 8.661 -0.376 1
1 185 . 13 1 1 A 18 18 LEU HA H 18 4.810 5.002 -0.192 1
1 195 . 13 1 1 A 18 18 LEU C C 18 175.800 176.239 -0.439 1
1 196 . 13 1 1 A 18 18 LEU CA C 18 54.230 53.748 0.482 1
1 197 . 13 1 1 A 18 18 LEU CB C 18 47.430 45.793 1.637 1
1 201 . 13 1 1 A 18 18 LEU N N 18 122.165 126.033 -3.868 1
1 202 . 13 1 1 A 19 19 ASN H H 19 8.920 8.827 0.093 1
1 203 . 13 1 1 A 19 19 ASN HA H 19 5.768 5.277 0.491 1
1 208 . 13 1 1 A 19 19 ASN C C 19 176.170 176.340 -0.170 1
1 209 . 13 1 1 A 19 19 ASN CA C 19 51.650 52.665 -1.015 1
1 210 . 13 1 1 A 19 19 ASN CB C 19 38.430 39.639 -1.209 1
1 211 . 13 1 1 A 19 19 ASN N N 19 118.700 120.286 -1.586 1
1 213 . 13 1 1 A 20 20 VAL H H 20 7.805 8.815 -1.010 1
1 214 . 13 1 1 A 20 20 VAL HA H 20 3.297 3.661 -0.364 1
1 222 . 13 1 1 A 20 20 VAL C C 20 176.770 177.153 -0.383 1
1 223 . 13 1 1 A 20 20 VAL CA C 20 67.360 66.336 1.024 1
1 224 . 13 1 1 A 20 20 VAL CB C 20 30.940 31.593 -0.653 1
1 227 . 13 1 1 A 20 20 VAL N N 20 117.900 121.029 -3.129 1
1 228 . 13 1 1 A 21 21 THR H H 21 7.230 8.048 -0.818 1
1 229 . 13 1 1 A 21 21 THR HA H 21 3.665 3.797 -0.132 1
1 234 . 13 1 1 A 21 21 THR C C 21 177.360 176.237 1.123 1
1 235 . 13 1 1 A 21 21 THR CA C 21 67.077 66.983 0.094 1
1 236 . 13 1 1 A 21 21 THR CB C 21 68.460 68.622 -0.162 1
1 238 . 13 1 1 A 21 21 THR N N 21 117.400 117.068 0.332 1
1 239 . 13 1 1 A 22 22 GLU H H 22 8.750 7.857 0.893 1
1 240 . 13 1 1 A 22 22 GLU HA H 22 4.046 4.104 -0.058 1
1 245 . 13 1 1 A 22 22 GLU C C 22 179.910 179.084 0.826 1
1 246 . 13 1 1 A 22 22 GLU CA C 22 58.550 59.109 -0.559 1
1 247 . 13 1 1 A 22 22 GLU CB C 22 30.550 29.207 1.343 1
1 249 . 13 1 1 A 22 22 GLU N N 22 121.238 119.837 1.401 1
1 250 . 13 1 1 A 23 23 LEU H H 23 8.766 8.168 0.598 1
1 251 . 13 1 1 A 23 23 LEU HA H 23 3.935 4.013 -0.078 1
1 261 . 13 1 1 A 23 23 LEU C C 23 177.800 177.909 -0.109 1
1 262 . 13 1 1 A 23 23 LEU CA C 23 58.240 58.176 0.064 1
1 263 . 13 1 1 A 23 23 LEU CB C 23 41.844 41.247 0.597 1
1 267 . 13 1 1 A 23 23 LEU N N 23 123.900 122.620 1.280 1
1 268 . 13 1 1 A 24 24 LEU H H 24 8.305 8.362 -0.057 1
1 269 . 13 1 1 A 24 24 LEU HA H 24 3.690 3.835 -0.145 1
1 279 . 13 1 1 A 24 24 LEU C C 24 179.620 179.399 0.221 1
1 280 . 13 1 1 A 24 24 LEU CA C 24 58.010 57.830 0.180 1
1 281 . 13 1 1 A 24 24 LEU CB C 24 41.320 41.609 -0.289 1
1 285 . 13 1 1 A 24 24 LEU N N 24 117.100 118.780 -1.680 1
1 286 . 13 1 1 A 25 25 SER H H 25 7.226 8.190 -0.964 1
1 287 . 13 1 1 A 25 25 SER HA H 25 4.304 4.103 0.201 1
1 290 . 13 1 1 A 25 25 SER C C 25 178.100 176.953 1.147 1
1 291 . 13 1 1 A 25 25 SER CA C 25 60.900 61.248 -0.348 1
1 292 . 13 1 1 A 25 25 SER CB C 25 62.850 63.102 -0.252 1
1 293 . 13 1 1 A 25 25 SER N N 25 111.500 114.189 -2.689 1
1 294 . 13 1 1 A 26 26 ALA H H 26 8.712 8.285 0.427 1
1 295 . 13 1 1 A 26 26 ALA HA H 26 4.138 4.147 -0.009 1
1 299 . 13 1 1 A 26 26 ALA C C 26 180.000 179.226 0.774 1
1 300 . 13 1 1 A 26 26 ALA CA C 26 55.180 54.896 0.284 1
1 301 . 13 1 1 A 26 26 ALA CB C 26 18.200 18.484 -0.284 1
1 302 . 13 1 1 A 26 26 ALA N N 26 126.100 123.488 2.612 1
1 303 . 13 1 1 A 27 27 LEU H H 27 8.050 7.736 0.314 1
1 304 . 13 1 1 A 27 27 LEU HA H 27 4.314 4.208 0.106 1
1 314 . 13 1 1 A 27 27 LEU C C 27 175.810 176.146 -0.336 1
1 315 . 13 1 1 A 27 27 LEU CA C 27 54.307 54.587 -0.280 1
1 316 . 13 1 1 A 27 27 LEU CB C 27 42.021 41.801 0.220 1
1 320 . 13 1 1 A 27 27 LEU N N 27 114.250 114.678 -0.428 1
1 321 . 13 1 1 A 28 28 LYS H H 28 7.766 7.924 -0.158 1
1 322 . 13 1 1 A 28 28 LYS HA H 28 3.869 3.957 -0.088 1
1 331 . 13 1 1 A 28 28 LYS C C 28 176.030 175.326 0.704 1
1 332 . 13 1 1 A 28 28 LYS CA C 28 56.630 57.207 -0.577 1
1 333 . 13 1 1 A 28 28 LYS CB C 28 28.893 30.806 -1.913 1
1 337 . 13 1 1 A 28 28 LYS N N 28 117.700 118.994 -1.294 1
1 338 . 13 1 1 A 29 29 VAL H H 29 7.583 8.213 -0.630 1
1 339 . 13 1 1 A 29 29 VAL HA H 29 3.520 4.225 -0.705 1
1 347 . 13 1 1 A 29 29 VAL C C 29 176.410 176.103 0.307 1
1 348 . 13 1 1 A 29 29 VAL CA C 29 63.741 62.563 1.178 1
1 349 . 13 1 1 A 29 29 VAL CB C 29 31.840 30.177 1.663 1
1 352 . 13 1 1 A 29 29 VAL N N 29 119.200 119.271 -0.071 1
1 353 . 13 1 1 A 30 30 ALA H H 30 8.543 8.074 0.469 1
1 354 . 13 1 1 A 30 30 ALA HA H 30 4.215 4.005 0.210 1
1 358 . 13 1 1 A 30 30 ALA C C 30 177.710 178.718 -1.008 1
1 359 . 13 1 1 A 30 30 ALA CA C 30 52.330 54.669 -2.339 1
1 360 . 13 1 1 A 30 30 ALA CB C 30 19.170 18.440 0.730 1
1 361 . 13 1 1 A 30 30 ALA N N 30 131.100 129.997 1.103 1
1 362 . 13 1 1 A 31 31 GLN H H 31 8.982 7.718 1.264 1
1 363 . 13 1 1 A 31 31 GLN HA H 31 4.162 4.695 -0.533 1
1 370 . 13 1 1 A 31 31 GLN C C 31 176.670 175.979 0.691 1
1 371 . 13 1 1 A 31 31 GLN CA C 31 56.100 55.374 0.726 1
1 372 . 13 1 1 A 31 31 GLN CB C 31 27.390 28.159 -0.769 1
1 374 . 13 1 1 A 31 31 GLN N N 31 117.300 115.919 1.381 1
1 376 . 13 1 1 A 32 32 ALA H H 32 8.029 8.007 0.022 1
1 377 . 13 1 1 A 32 32 ALA HA H 32 3.738 4.009 -0.271 1
1 381 . 13 1 1 A 32 32 ALA C C 32 178.700 180.003 -1.303 1
1 382 . 13 1 1 A 32 32 ALA CA C 32 55.010 55.062 -0.052 1
1 383 . 13 1 1 A 32 32 ALA CB C 32 18.647 18.447 0.200 1
1 384 . 13 1 1 A 32 32 ALA N N 32 119.900 123.156 -3.256 1
1 385 . 13 1 1 A 33 33 GLU H H 33 9.338 8.177 1.161 1
1 386 . 13 1 1 A 33 33 GLU HA H 33 4.037 4.150 -0.113 1
1 391 . 13 1 1 A 33 33 GLU C C 33 176.370 177.387 -1.017 1
1 392 . 13 1 1 A 33 33 GLU CA C 33 58.280 58.526 -0.246 1
1 393 . 13 1 1 A 33 33 GLU CB C 33 28.670 29.381 -0.711 1
1 395 . 13 1 1 A 33 33 GLU N N 33 116.800 119.176 -2.376 1
1 396 . 13 1 1 A 34 34 TYR H H 34 8.063 8.289 -0.226 1
1 397 . 13 1 1 A 34 34 TYR HA H 34 4.820 4.517 0.303 1
1 404 . 13 1 1 A 34 34 TYR C C 34 175.460 175.698 -0.238 1
1 405 . 13 1 1 A 34 34 TYR CA C 34 56.800 59.390 -2.590 1
1 406 . 13 1 1 A 34 34 TYR CB C 34 39.810 39.944 -0.134 1
1 411 . 13 1 1 A 34 34 TYR N N 34 116.100 117.397 -1.297 1
1 412 . 13 1 1 A 35 35 VAL H H 35 7.330 7.779 -0.449 1
1 413 . 13 1 1 A 35 35 VAL HA H 35 4.689 3.134 1.555 1
1 421 . 13 1 1 A 35 35 VAL C C 35 173.700 174.652 -0.952 1
1 422 . 13 1 1 A 35 35 VAL CA C 35 61.550 62.219 -0.669 1
1 423 . 13 1 1 A 35 35 VAL CB C 35 33.650 32.406 1.244 1
1 426 . 13 1 1 A 35 35 VAL N N 35 121.200 118.826 2.374 1
1 427 . 13 1 1 A 36 36 THR H H 36 8.879 7.232 1.647 1
1 428 . 13 1 1 A 36 36 THR HA H 36 4.696 5.130 -0.434 1
1 433 . 13 1 1 A 36 36 THR C C 36 172.930 174.305 -1.375 1
1 434 . 13 1 1 A 36 36 THR CA C 36 62.300 61.440 0.860 1
1 435 . 13 1 1 A 36 36 THR CB C 36 70.500 70.660 -0.160 1
1 437 . 13 1 1 A 36 36 THR N N 36 126.800 122.944 3.856 1
1 438 . 13 1 1 A 37 37 VAL H H 37 9.616 9.191 0.425 1
1 439 . 13 1 1 A 37 37 VAL HA H 37 5.072 5.040 0.032 1
1 447 . 13 1 1 A 37 37 VAL C C 37 174.820 174.441 0.379 1
1 448 . 13 1 1 A 37 37 VAL CA C 37 59.440 58.800 0.640 1
1 449 . 13 1 1 A 37 37 VAL CB C 37 35.270 35.726 -0.456 1
1 452 . 13 1 1 A 37 37 VAL N N 37 127.600 119.880 7.720 1
1 453 . 13 1 1 A 38 38 GLU H H 38 8.934 8.562 0.372 1
1 454 . 13 1 1 A 38 38 GLU HA H 38 5.059 5.383 -0.324 1
1 459 . 13 1 1 A 38 38 GLU C C 38 174.850 174.747 0.103 1
1 460 . 13 1 1 A 38 38 GLU CA C 38 53.989 54.788 -0.799 1
1 461 . 13 1 1 A 38 38 GLU CB C 38 32.599 32.239 0.360 1
1 463 . 13 1 1 A 38 38 GLU N N 38 126.700 121.628 5.072 1
1 464 . 13 1 1 A 39 39 LEU H H 39 9.004 8.963 0.041 1
1 465 . 13 1 1 A 39 39 LEU HA H 39 5.082 4.763 0.319 1
1 474 . 13 1 1 A 39 39 LEU C C 39 175.890 176.617 -0.727 1
1 475 . 13 1 1 A 39 39 LEU CA C 39 53.030 54.175 -1.145 1
1 476 . 13 1 1 A 39 39 LEU CB C 39 45.640 43.457 2.183 1
1 479 . 13 1 1 A 39 39 LEU N N 39 128.700 126.593 2.107 1
1 480 . 13 1 1 A 40 40 ASN H H 40 10.210 9.894 0.316 1
1 481 . 13 1 1 A 40 40 ASN HA H 40 4.495 4.474 0.021 1
1 486 . 13 1 1 A 40 40 ASN C C 40 175.620 175.476 0.144 1
1 487 . 13 1 1 A 40 40 ASN CA C 40 54.540 54.516 0.024 1
1 488 . 13 1 1 A 40 40 ASN CB C 40 37.280 37.167 0.113 1
1 489 . 13 1 1 A 40 40 ASN N N 40 128.749 126.387 2.362 1
1 491 . 13 1 1 A 41 41 GLY H H 41 8.913 8.617 0.296 1
1 492 . 13 1 1 A 41 41 GLY HA2 H 41 4.162 3.859 0.303 1
1 493 . 13 1 1 A 41 41 GLY HA3 H 41 3.625 3.863 -0.238 1
1 494 . 13 1 1 A 41 41 GLY C C 41 173.380 173.613 -0.233 1
1 495 . 13 1 1 A 41 41 GLY CA C 41 45.220 45.427 -0.207 1
1 496 . 13 1 1 A 41 41 GLY N N 41 102.811 104.729 -1.918 1
1 497 . 13 1 1 A 42 42 GLU H H 42 7.716 7.896 -0.180 1
1 498 . 13 1 1 A 42 42 GLU HA H 42 4.655 4.673 -0.018 1
1 503 . 13 1 1 A 42 42 GLU C C 42 175.300 175.652 -0.352 1
1 504 . 13 1 1 A 42 42 GLU CA C 42 54.190 54.849 -0.659 1
1 505 . 13 1 1 A 42 42 GLU CB C 42 31.770 32.109 -0.339 1
1 507 . 13 1 1 A 42 42 GLU N N 42 120.731 120.785 -0.054 1
1 508 . 13 1 1 A 43 43 VAL H H 43 8.872 8.611 0.261 1
1 509 . 13 1 1 A 43 43 VAL HA H 43 4.025 4.456 -0.431 1
1 517 . 13 1 1 A 43 43 VAL C C 43 176.260 174.630 1.630 1
1 518 . 13 1 1 A 43 43 VAL CA C 43 64.110 62.271 1.839 1
1 519 . 13 1 1 A 43 43 VAL CB C 43 31.500 32.788 -1.288 1
1 522 . 13 1 1 A 43 43 VAL N N 43 126.800 126.714 0.086 1
1 523 . 13 1 1 A 44 44 LEU H H 44 8.810 8.599 0.211 1
1 524 . 13 1 1 A 44 44 LEU HA H 44 4.656 4.860 -0.204 1
1 534 . 13 1 1 A 44 44 LEU C C 44 177.620 176.860 0.760 1
1 535 . 13 1 1 A 44 44 LEU CA C 44 53.750 53.285 0.465 1
1 536 . 13 1 1 A 44 44 LEU CB C 44 44.080 43.839 0.241 1
1 540 . 13 1 1 A 44 44 LEU N N 44 129.200 129.868 -0.668 1
1 541 . 13 1 1 A 45 45 GLU H H 45 8.742 8.672 0.070 1
1 542 . 13 1 1 A 45 45 GLU HA H 45 4.465 4.180 0.285 1
1 547 . 13 1 1 A 45 45 GLU C C 45 177.440 177.677 -0.237 1
1 548 . 13 1 1 A 45 45 GLU CA C 45 55.270 56.389 -1.119 1
1 549 . 13 1 1 A 45 45 GLU CB C 45 29.830 30.607 -0.777 1
1 551 . 13 1 1 A 45 45 GLU N N 45 122.500 121.243 1.257 1
1 552 . 13 1 1 A 46 46 ARG H H 46 8.674 8.534 0.140 1
1 553 . 13 1 1 A 46 46 ARG HA H 46 2.384 3.107 -0.723 1
1 560 . 13 1 1 A 46 46 ARG C C 46 179.080 177.835 1.245 1
1 561 . 13 1 1 A 46 46 ARG CA C 46 58.150 59.491 -1.341 1
1 562 . 13 1 1 A 46 46 ARG CB C 46 29.050 29.734 -0.684 1
1 565 . 13 1 1 A 46 46 ARG N N 46 124.600 122.857 1.743 1
1 566 . 13 1 1 A 47 47 GLU H H 47 9.010 8.069 0.941 1
1 567 . 13 1 1 A 47 47 GLU HA H 47 4.008 3.932 0.076 1
1 572 . 13 1 1 A 47 47 GLU C C 47 176.700 179.278 -2.578 1
1 573 . 13 1 1 A 47 47 GLU CA C 47 58.720 59.148 -0.428 1
1 574 . 13 1 1 A 47 47 GLU CB C 47 28.590 29.183 -0.593 1
1 576 . 13 1 1 A 47 47 GLU N N 47 117.300 119.938 -2.638 1
1 577 . 13 1 1 A 48 48 ALA H H 48 8.011 7.353 0.658 1
1 578 . 13 1 1 A 48 48 ALA HA H 48 4.749 4.129 0.620 1
1 582 . 13 1 1 A 48 48 ALA C C 48 180.070 179.372 0.698 1
1 583 . 13 1 1 A 48 48 ALA CA C 48 51.780 54.526 -2.746 1
1 584 . 13 1 1 A 48 48 ALA CB C 48 19.390 18.392 0.998 1
1 585 . 13 1 1 A 48 48 ALA N N 48 120.200 122.465 -2.265 1
1 586 . 13 1 1 A 49 49 PHE H H 49 8.002 7.043 0.959 1
1 587 . 13 1 1 A 49 49 PHE HA H 49 4.305 4.216 0.089 1
1 594 . 13 1 1 A 49 49 PHE C C 49 177.710 178.121 -0.411 1
1 595 . 13 1 1 A 49 49 PHE CA C 49 59.969 61.508 -1.539 1
1 596 . 13 1 1 A 49 49 PHE CB C 49 36.820 38.378 -1.558 1
1 601 . 13 1 1 A 49 49 PHE N N 49 123.801 115.827 7.974 1
1 602 . 13 1 1 A 50 50 ASP H H 50 8.558 8.256 0.302 1
1 603 . 13 1 1 A 50 50 ASP HA H 50 4.561 4.739 -0.178 1
1 606 . 13 1 1 A 50 50 ASP C C 50 176.610 178.003 -1.393 1
1 607 . 13 1 1 A 50 50 ASP CA C 50 56.100 57.169 -1.069 1
1 608 . 13 1 1 A 50 50 ASP CB C 50 40.350 40.718 -0.368 1
1 609 . 13 1 1 A 50 50 ASP N N 50 115.500 120.527 -5.027 1
1 610 . 13 1 1 A 51 51 ALA H H 51 7.539 7.580 -0.041 1
1 611 . 13 1 1 A 51 51 ALA HA H 51 4.498 4.314 0.184 1
1 615 . 13 1 1 A 51 51 ALA C C 51 177.370 178.246 -0.876 1
1 616 . 13 1 1 A 51 51 ALA CA C 51 51.850 54.348 -2.498 1
1 617 . 13 1 1 A 51 51 ALA CB C 51 20.280 19.375 0.905 1
1 618 . 13 1 1 A 51 51 ALA N N 51 119.500 120.090 -0.590 1
1 619 . 13 1 1 A 52 52 THR H H 52 7.503 7.945 -0.442 1
1 620 . 13 1 1 A 52 52 THR HA H 52 4.376 4.175 0.201 1
1 625 . 13 1 1 A 52 52 THR C C 52 172.780 174.078 -1.298 1
1 626 . 13 1 1 A 52 52 THR CA C 52 63.450 64.305 -0.855 1
1 627 . 13 1 1 A 52 52 THR CB C 52 69.910 69.239 0.671 1
1 629 . 13 1 1 A 52 52 THR N N 52 117.700 113.622 4.078 1
1 630 . 13 1 1 A 53 53 THR H H 53 8.354 8.592 -0.238 1
1 631 . 13 1 1 A 53 53 THR HA H 53 4.521 5.129 -0.608 1
1 636 . 13 1 1 A 53 53 THR C C 53 173.000 173.857 -0.857 1
1 637 . 13 1 1 A 53 53 THR CA C 53 62.110 60.643 1.467 1
1 638 . 13 1 1 A 53 53 THR CB C 53 70.380 70.125 0.255 1
1 640 . 13 1 1 A 53 53 THR N N 53 120.700 119.261 1.439 1
1 641 . 13 1 1 A 54 54 VAL H H 54 9.223 9.234 -0.011 1
1 642 . 13 1 1 A 54 54 VAL HA H 54 4.256 4.652 -0.396 1
1 650 . 13 1 1 A 54 54 VAL C C 54 173.500 175.387 -1.887 1
1 651 . 13 1 1 A 54 54 VAL CA C 54 61.330 61.468 -0.138 1
1 652 . 13 1 1 A 54 54 VAL CB C 54 33.090 33.121 -0.031 1
1 655 . 13 1 1 A 54 54 VAL N N 54 126.200 127.294 -1.094 1
1 656 . 13 1 1 A 55 55 LYS H H 55 9.074 8.993 0.081 1
1 657 . 13 1 1 A 55 55 LYS HA H 55 4.847 4.849 -0.002 1
1 666 . 13 1 1 A 55 55 LYS C C 55 174.610 175.074 -0.464 1
1 667 . 13 1 1 A 55 55 LYS CA C 55 54.265 54.182 0.083 1
1 668 . 13 1 1 A 55 55 LYS CB C 55 36.111 35.875 0.236 1
1 672 . 13 1 1 A 55 55 LYS N N 55 124.700 125.533 -0.833 1
1 673 . 13 1 1 A 56 56 ASP H H 56 8.111 8.551 -0.440 1
1 674 . 13 1 1 A 56 56 ASP HA H 56 4.553 4.250 0.303 1
1 677 . 13 1 1 A 56 56 ASP C C 56 177.720 177.360 0.360 1
1 678 . 13 1 1 A 56 56 ASP CA C 56 56.040 55.857 0.183 1
1 679 . 13 1 1 A 56 56 ASP CB C 56 43.070 40.324 2.746 1
1 680 . 13 1 1 A 56 56 ASP N N 56 116.700 121.503 -4.803 1
1 681 . 13 1 1 A 57 57 GLY H H 57 9.330 9.014 0.316 1
1 682 . 13 1 1 A 57 57 GLY HA2 H 57 4.343 3.859 0.484 1
1 683 . 13 1 1 A 57 57 GLY HA3 H 57 3.652 3.859 -0.207 1
1 684 . 13 1 1 A 57 57 GLY C C 57 175.140 173.336 1.804 1
1 685 . 13 1 1 A 57 57 GLY CA C 57 44.869 46.299 -1.430 1
1 686 . 13 1 1 A 57 57 GLY N N 57 113.900 113.580 0.320 1
1 687 . 13 1 1 A 58 58 ASP H H 58 8.104 7.333 0.771 1
1 688 . 13 1 1 A 58 58 ASP HA H 58 4.808 5.051 -0.243 1
1 691 . 13 1 1 A 58 58 ASP C C 58 174.100 174.819 -0.719 1
1 692 . 13 1 1 A 58 58 ASP CA C 58 55.700 52.688 3.012 1
1 693 . 13 1 1 A 58 58 ASP CB C 58 42.080 43.912 -1.832 1
1 694 . 13 1 1 A 58 58 ASP N N 58 122.600 119.889 2.711 1
1 695 . 13 1 1 A 59 59 ALA H H 59 8.326 8.697 -0.371 1
1 696 . 13 1 1 A 59 59 ALA HA H 59 5.208 4.888 0.320 1
1 700 . 13 1 1 A 59 59 ALA C C 59 174.350 175.778 -1.428 1
1 701 . 13 1 1 A 59 59 ALA CA C 59 50.110 50.804 -0.694 1
1 702 . 13 1 1 A 59 59 ALA CB C 59 20.760 19.301 1.459 1
1 703 . 13 1 1 A 59 59 ALA N N 59 121.100 125.822 -4.722 1
1 704 . 13 1 1 A 60 60 VAL H H 60 9.061 8.900 0.161 1
1 705 . 13 1 1 A 60 60 VAL HA H 60 4.117 4.504 -0.387 1
1 713 . 13 1 1 A 60 60 VAL C C 60 174.300 174.654 -0.354 1
1 714 . 13 1 1 A 60 60 VAL CA C 60 61.830 61.736 0.094 1
1 715 . 13 1 1 A 60 60 VAL CB C 60 33.640 32.409 1.231 1
1 718 . 13 1 1 A 60 60 VAL N N 60 121.800 124.279 -2.479 1
1 719 . 13 1 1 A 61 61 GLU H H 61 9.027 8.950 0.077 1
1 720 . 13 1 1 A 61 61 GLU HA H 61 4.778 4.523 0.255 1
1 725 . 13 1 1 A 61 61 GLU C C 61 176.200 175.599 0.601 1
1 726 . 13 1 1 A 61 61 GLU CA C 61 54.152 55.806 -1.654 1
1 727 . 13 1 1 A 61 61 GLU CB C 61 32.477 29.552 2.925 1
1 729 . 13 1 1 A 61 61 GLU N N 61 123.900 131.050 -7.150 1
1 730 . 13 1 1 A 62 62 PHE H H 62 9.075 8.743 0.332 1
1 731 . 13 1 1 A 62 62 PHE HA H 62 5.317 4.634 0.683 1
1 739 . 13 1 1 A 62 62 PHE C C 62 174.490 174.973 -0.483 1
1 740 . 13 1 1 A 62 62 PHE CA C 62 54.910 57.174 -2.264 1
1 741 . 13 1 1 A 62 62 PHE CB C 62 39.640 39.049 0.591 1
1 747 . 13 1 1 A 62 62 PHE N N 62 122.000 129.034 -7.034 1
1 748 . 13 1 1 A 63 63 LEU H H 63 8.996 8.382 0.614 1
1 749 . 13 1 1 A 63 63 LEU HA H 63 4.643 4.215 0.428 1
1 759 . 13 1 1 A 63 63 LEU C C 63 175.030 176.511 -1.481 1
1 760 . 13 1 1 A 63 63 LEU CA C 63 53.630 54.640 -1.010 1
1 761 . 13 1 1 A 63 63 LEU CB C 63 44.680 42.299 2.381 1
1 765 . 13 1 1 A 63 63 LEU N N 63 125.000 127.731 -2.731 1
1 766 . 13 1 1 A 64 64 TYR H H 64 8.669 8.723 -0.054 1
1 767 . 13 1 1 A 64 64 TYR HA H 64 4.758 4.758 0.000 1
1 774 . 13 1 1 A 64 64 TYR C C 64 175.630 176.197 -0.567 1
1 775 . 13 1 1 A 64 64 TYR CA C 64 57.460 56.587 0.873 1
1 776 . 13 1 1 A 64 64 TYR CB C 64 39.690 36.541 3.149 1
1 781 . 13 1 1 A 64 64 TYR N N 64 120.100 122.877 -2.777 1
1 782 . 13 1 1 A 65 65 PHE H H 65 8.688 7.907 0.781 1
1 783 . 13 1 1 A 65 65 PHE HA H 65 4.777 4.397 0.380 1
1 791 . 13 1 1 A 65 65 PHE C C 65 175.940 176.434 -0.494 1
1 792 . 13 1 1 A 65 65 PHE CA C 65 57.325 60.480 -3.155 1
1 793 . 13 1 1 A 65 65 PHE CB C 65 39.340 38.369 0.971 1
1 799 . 13 1 1 A 65 65 PHE N N 65 122.100 120.830 1.270 1
1 800 . 13 1 1 A 66 66 MET H H 66 8.611 7.949 0.662 1
1 801 . 13 1 1 A 66 66 MET HA H 66 4.537 4.719 -0.182 1
1 806 . 13 1 1 A 66 66 MET C C 66 176.630 176.398 0.232 1
1 807 . 13 1 1 A 66 66 MET CA C 66 55.370 54.606 0.764 1
1 808 . 13 1 1 A 66 66 MET CB C 66 32.710 31.804 0.906 1
1 810 . 13 1 1 A 66 66 MET N N 66 121.700 118.903 2.797 1
1 811 . 13 1 1 A 67 67 GLY H H 67 8.213 8.872 -0.659 1
1 812 . 13 1 1 A 67 67 GLY HA2 H 67 3.928 4.034 -0.106 1
1 813 . 13 1 1 A 67 67 GLY HA3 H 67 3.928 4.047 -0.119 1
1 814 . 13 1 1 A 67 67 GLY C C 67 174.800 174.617 0.183 1
1 815 . 13 1 1 A 67 67 GLY CA C 67 45.359 45.295 0.064 1
1 816 . 13 1 1 A 67 67 GLY N N 67 109.600 113.065 -3.465 1
1 817 . 13 1 1 A 68 68 GLY H H 68 8.353 8.224 0.129 1
1 818 . 13 1 1 A 68 68 GLY HA2 H 68 4.862 4.018 0.844 1
1 819 . 13 1 1 A 68 68 GLY HA3 H 68 4.861 4.027 0.834 1
1 820 . 13 1 1 A 68 68 GLY C C 68 174.760 175.207 -0.447 1
1 821 . 13 1 1 A 68 68 GLY CA C 68 45.402 45.374 0.028 1
1 822 . 13 1 1 A 68 68 GLY N N 68 108.600 107.504 1.096 1
1 823 . 13 1 1 A 69 69 GLY H H 69 8.406 8.846 -0.440 1
1 824 . 13 1 1 A 69 69 GLY HA2 H 69 3.953 3.864 0.089 1
1 825 . 13 1 1 A 69 69 GLY HA3 H 69 3.953 3.879 0.074 1
1 826 . 13 1 1 A 69 69 GLY C C 69 174.070 174.248 -0.178 1
1 827 . 13 1 1 A 69 69 GLY CA C 69 45.242 46.976 -1.734 1
1 828 . 13 1 1 A 69 69 GLY N N 69 109.100 111.141 -2.041 1
1 829 . 13 1 1 A 70 70 LYS H H 70 8.153 7.970 0.183 1
1 830 . 13 1 1 A 70 70 LYS HA H 70 4.255 3.946 0.309 1
1 839 . 13 1 1 A 70 70 LYS C C 70 176.490 176.234 0.256 1
1 840 . 13 1 1 A 70 70 LYS CA C 70 56.370 56.703 -0.333 1
1 841 . 13 1 1 A 70 70 LYS CB C 70 33.130 31.099 2.031 1
1 845 . 13 1 1 A 70 70 LYS N N 70 120.500 118.847 1.653 1
1 846 . 13 1 1 A 71 71 LEU H H 71 8.253 8.323 -0.070 1
1 847 . 13 1 1 A 71 71 LEU HA H 71 4.285 3.922 0.363 1
1 857 . 13 1 1 A 71 71 LEU C C 71 177.110 178.619 -1.509 1
1 858 . 13 1 1 A 71 71 LEU CA C 71 55.120 57.951 -2.831 1
1 859 . 13 1 1 A 71 71 LEU CB C 71 42.236 41.457 0.779 1
1 863 . 13 1 1 A 71 71 LEU N N 71 122.905 126.526 -3.621 1
1 864 . 13 1 1 A 72 72 GLU H H 72 8.343 7.720 0.623 1
1 865 . 13 1 1 A 72 72 GLU HA H 72 4.238 4.178 0.060 1
1 870 . 13 1 1 A 72 72 GLU C C 72 176.100 176.270 -0.170 1
1 871 . 13 1 1 A 72 72 GLU CA C 72 56.760 58.950 -2.190 1
1 872 . 13 1 1 A 72 72 GLU CB C 72 30.619 30.052 0.567 1
1 874 . 13 1 1 A 72 72 GLU N N 72 121.500 118.504 2.996 1
1 875 . 13 1 1 A 73 73 HIS H H 73 8.404 7.534 0.870 1
1 876 . 13 1 1 A 73 73 HIS HA H 73 4.593 4.558 0.035 1
1 879 . 13 1 1 A 73 73 HIS C C 73 173.840 174.585 -0.745 1
1 880 . 13 1 1 A 73 73 HIS CA C 73 55.777 58.333 -2.556 1
1 881 . 13 1 1 A 73 73 HIS CB C 73 30.080 28.417 1.663 1
1 882 . 13 1 1 A 73 73 HIS N N 73 119.733 117.247 2.486 1
1 883 . 13 1 1 A 74 74 HIS H H 74 8.213 8.941 -0.728 1
1 884 . 13 1 1 A 74 74 HIS CA C 74 57.175 55.539 1.636 1
1 885 . 13 1 1 A 74 74 HIS CB C 74 30.671 30.070 0.601 1
1 9 . 14 1 1 A 2 2 ASN H H 2 9.645 8.656 0.989 1
1 10 . 14 1 1 A 2 2 ASN HA H 2 5.430 5.351 0.079 1
1 15 . 14 1 1 A 2 2 ASN CA C 2 52.761 53.144 -0.383 1
1 16 . 14 1 1 A 2 2 ASN CB C 2 40.140 39.654 0.486 1
1 17 . 14 1 1 A 2 2 ASN N N 2 125.300 117.397 7.903 1
1 19 . 14 1 1 A 3 3 LEU H H 3 8.769 9.004 -0.235 1
1 20 . 14 1 1 A 3 3 LEU HA H 3 4.949 5.003 -0.054 1
1 30 . 14 1 1 A 3 3 LEU C C 3 176.320 175.560 0.760 1
1 31 . 14 1 1 A 3 3 LEU CA C 3 54.223 53.524 0.699 1
1 32 . 14 1 1 A 3 3 LEU CB C 3 45.941 45.549 0.392 1
1 36 . 14 1 1 A 3 3 LEU N N 3 121.800 124.172 -2.372 1
1 37 . 14 1 1 A 4 4 THR H H 4 8.329 9.206 -0.877 1
1 38 . 14 1 1 A 4 4 THR HA H 4 4.744 4.601 0.143 1
1 43 . 14 1 1 A 4 4 THR C C 4 173.650 174.024 -0.374 1
1 44 . 14 1 1 A 4 4 THR CA C 4 62.150 62.323 -0.173 1
1 45 . 14 1 1 A 4 4 THR CB C 4 69.430 67.770 1.660 1
1 47 . 14 1 1 A 4 4 THR N N 4 116.200 120.781 -4.581 1
1 48 . 14 1 1 A 5 5 VAL H H 5 8.955 8.730 0.225 1
1 49 . 14 1 1 A 5 5 VAL HA H 5 4.683 4.643 0.040 1
1 57 . 14 1 1 A 5 5 VAL C C 5 176.470 176.876 -0.406 1
1 58 . 14 1 1 A 5 5 VAL CA C 5 60.724 61.886 -1.162 1
1 59 . 14 1 1 A 5 5 VAL CB C 5 33.590 31.856 1.734 1
1 62 . 14 1 1 A 5 5 VAL N N 5 126.000 127.571 -1.571 1
1 63 . 14 1 1 A 6 6 ASN H H 6 9.534 9.305 0.229 1
1 64 . 14 1 1 A 6 6 ASN HA H 6 4.636 4.436 0.200 1
1 69 . 14 1 1 A 6 6 ASN C C 6 175.900 174.515 1.385 1
1 70 . 14 1 1 A 6 6 ASN CA C 6 54.150 54.178 -0.028 1
1 71 . 14 1 1 A 6 6 ASN CB C 6 36.410 37.489 -1.079 1
1 72 . 14 1 1 A 6 6 ASN N N 6 129.400 125.915 3.485 1
1 74 . 14 1 1 A 7 7 GLY H H 7 8.915 8.454 0.461 1
1 75 . 14 1 1 A 7 7 GLY HA2 H 7 4.170 3.872 0.298 1
1 76 . 14 1 1 A 7 7 GLY HA3 H 7 3.485 3.875 -0.390 1
1 77 . 14 1 1 A 7 7 GLY C C 7 173.950 173.584 0.366 1
1 78 . 14 1 1 A 7 7 GLY CA C 7 45.337 45.371 -0.034 1
1 79 . 14 1 1 A 7 7 GLY N N 7 102.200 104.606 -2.406 1
1 80 . 14 1 1 A 8 8 LYS H H 8 7.900 8.125 -0.225 1
1 81 . 14 1 1 A 8 8 LYS HA H 8 4.987 4.705 0.282 1
1 90 . 14 1 1 A 8 8 LYS CA C 8 52.940 52.893 0.047 1
1 91 . 14 1 1 A 8 8 LYS CB C 8 34.010 33.915 0.095 1
1 95 . 14 1 1 A 8 8 LYS N N 8 121.700 120.866 0.834 1
1 96 . 14 1 1 A 9 9 PRO HA H 9 4.700 4.929 -0.229 1
1 103 . 14 1 1 A 9 9 PRO C C 9 176.900 175.457 1.443 1
1 104 . 14 1 1 A 9 9 PRO CA C 9 63.990 62.195 1.795 1
1 105 . 14 1 1 A 9 9 PRO CB C 9 32.000 32.164 -0.164 1
1 108 . 14 1 1 A 10 10 SER H H 10 8.970 8.956 0.014 1
1 109 . 14 1 1 A 10 10 SER HA H 10 4.822 4.977 -0.155 1
1 112 . 14 1 1 A 10 10 SER C C 10 172.800 172.948 -0.148 1
1 113 . 14 1 1 A 10 10 SER CA C 10 57.880 57.021 0.859 1
1 114 . 14 1 1 A 10 10 SER CB C 10 66.361 65.789 0.572 1
1 115 . 14 1 1 A 10 10 SER N N 10 120.300 116.156 4.144 1
1 116 . 14 1 1 A 11 11 THR H H 11 8.590 8.702 -0.112 1
1 117 . 14 1 1 A 11 11 THR HA H 11 5.163 4.986 0.177 1
1 122 . 14 1 1 A 11 11 THR C C 11 173.720 173.700 0.020 1
1 123 . 14 1 1 A 11 11 THR CA C 11 61.380 62.033 -0.653 1
1 124 . 14 1 1 A 11 11 THR CB C 11 71.950 69.453 2.497 1
1 126 . 14 1 1 A 11 11 THR N N 11 120.191 119.783 0.408 1
1 127 . 14 1 1 A 12 12 VAL H H 12 8.563 9.133 -0.570 1
1 128 . 14 1 1 A 12 12 VAL HA H 12 4.172 4.904 -0.732 1
1 136 . 14 1 1 A 12 12 VAL C C 12 175.380 173.979 1.401 1
1 137 . 14 1 1 A 12 12 VAL CA C 12 61.350 60.333 1.017 1
1 138 . 14 1 1 A 12 12 VAL CB C 12 33.053 33.950 -0.897 1
1 141 . 14 1 1 A 12 12 VAL N N 12 125.000 121.947 3.053 1
1 142 . 14 1 1 A 13 13 ASP H H 13 8.878 8.756 0.122 1
1 143 . 14 1 1 A 13 13 ASP HA H 13 4.501 4.444 0.057 1
1 146 . 14 1 1 A 13 13 ASP C C 13 177.180 177.194 -0.014 1
1 147 . 14 1 1 A 13 13 ASP CA C 13 55.120 55.039 0.081 1
1 148 . 14 1 1 A 13 13 ASP CB C 13 41.450 41.418 0.032 1
1 149 . 14 1 1 A 13 13 ASP N N 13 128.300 127.090 1.210 1
1 150 . 14 1 1 A 14 14 GLY H H 14 8.697 8.773 -0.076 1
1 151 . 14 1 1 A 14 14 GLY HA2 H 14 4.076 3.912 0.164 1
1 152 . 14 1 1 A 14 14 GLY HA3 H 14 3.719 3.913 -0.194 1
1 153 . 14 1 1 A 14 14 GLY C C 14 173.244 173.473 -0.229 1
1 154 . 14 1 1 A 14 14 GLY CA C 14 45.887 45.621 0.266 1
1 155 . 14 1 1 A 14 14 GLY N N 14 109.900 113.711 -3.811 1
1 156 . 14 1 1 A 15 15 ALA H H 15 7.360 7.712 -0.352 1
1 157 . 14 1 1 A 15 15 ALA HA H 15 4.601 4.537 0.064 1
1 161 . 14 1 1 A 15 15 ALA C C 15 176.240 176.816 -0.576 1
1 162 . 14 1 1 A 15 15 ALA CA C 15 51.370 51.007 0.363 1
1 163 . 14 1 1 A 15 15 ALA CB C 15 20.970 20.365 0.605 1
1 164 . 14 1 1 A 15 15 ALA N N 15 121.213 122.508 -1.295 1
1 165 . 14 1 1 A 16 16 GLU H H 16 8.967 9.070 -0.103 1
1 166 . 14 1 1 A 16 16 GLU HA H 16 4.406 4.461 -0.055 1
1 171 . 14 1 1 A 16 16 GLU C C 16 175.800 176.351 -0.551 1
1 172 . 14 1 1 A 16 16 GLU CA C 16 57.170 57.935 -0.765 1
1 173 . 14 1 1 A 16 16 GLU CB C 16 30.700 31.270 -0.570 1
1 175 . 14 1 1 A 16 16 GLU N N 16 120.800 126.555 -5.755 1
1 176 . 14 1 1 A 17 17 SER H H 17 7.587 7.996 -0.409 1
1 177 . 14 1 1 A 17 17 SER HA H 17 4.891 4.865 0.026 1
1 180 . 14 1 1 A 17 17 SER C C 17 172.400 172.796 -0.396 1
1 181 . 14 1 1 A 17 17 SER CA C 17 57.797 57.500 0.297 1
1 182 . 14 1 1 A 17 17 SER CB C 17 64.571 65.263 -0.692 1
1 183 . 14 1 1 A 17 17 SER N N 17 111.600 110.582 1.018 1
1 184 . 14 1 1 A 18 18 LEU H H 18 8.285 8.987 -0.702 1
1 185 . 14 1 1 A 18 18 LEU HA H 18 4.810 4.879 -0.069 1
1 195 . 14 1 1 A 18 18 LEU C C 18 175.800 176.328 -0.528 1
1 196 . 14 1 1 A 18 18 LEU CA C 18 54.230 53.443 0.787 1
1 197 . 14 1 1 A 18 18 LEU CB C 18 47.430 45.488 1.942 1
1 201 . 14 1 1 A 18 18 LEU N N 18 122.165 126.980 -4.815 1
1 202 . 14 1 1 A 19 19 ASN H H 19 8.920 8.882 0.038 1
1 203 . 14 1 1 A 19 19 ASN HA H 19 5.768 5.114 0.654 1
1 208 . 14 1 1 A 19 19 ASN C C 19 176.170 176.153 0.017 1
1 209 . 14 1 1 A 19 19 ASN CA C 19 51.650 53.448 -1.798 1
1 210 . 14 1 1 A 19 19 ASN CB C 19 38.430 39.319 -0.889 1
1 211 . 14 1 1 A 19 19 ASN N N 19 118.700 122.398 -3.698 1
1 213 . 14 1 1 A 20 20 VAL H H 20 7.805 8.758 -0.953 1
1 214 . 14 1 1 A 20 20 VAL HA H 20 3.297 3.620 -0.323 1
1 222 . 14 1 1 A 20 20 VAL C C 20 176.770 177.080 -0.310 1
1 223 . 14 1 1 A 20 20 VAL CA C 20 67.360 66.449 0.911 1
1 224 . 14 1 1 A 20 20 VAL CB C 20 30.940 31.699 -0.759 1
1 227 . 14 1 1 A 20 20 VAL N N 20 117.900 121.960 -4.060 1
1 228 . 14 1 1 A 21 21 THR H H 21 7.230 8.287 -1.057 1
1 229 . 14 1 1 A 21 21 THR HA H 21 3.665 3.802 -0.137 1
1 234 . 14 1 1 A 21 21 THR C C 21 177.360 176.071 1.289 1
1 235 . 14 1 1 A 21 21 THR CA C 21 67.077 67.218 -0.141 1
1 236 . 14 1 1 A 21 21 THR CB C 21 68.460 68.580 -0.120 1
1 238 . 14 1 1 A 21 21 THR N N 21 117.400 116.596 0.804 1
1 239 . 14 1 1 A 22 22 GLU H H 22 8.750 8.255 0.495 1
1 240 . 14 1 1 A 22 22 GLU HA H 22 4.046 4.004 0.042 1
1 245 . 14 1 1 A 22 22 GLU C C 22 179.910 179.154 0.756 1
1 246 . 14 1 1 A 22 22 GLU CA C 22 58.550 59.294 -0.744 1
1 247 . 14 1 1 A 22 22 GLU CB C 22 30.550 29.406 1.144 1
1 249 . 14 1 1 A 22 22 GLU N N 22 121.238 119.863 1.375 1
1 250 . 14 1 1 A 23 23 LEU H H 23 8.766 7.602 1.164 1
1 251 . 14 1 1 A 23 23 LEU HA H 23 3.935 4.016 -0.081 1
1 261 . 14 1 1 A 23 23 LEU C C 23 177.800 178.188 -0.388 1
1 262 . 14 1 1 A 23 23 LEU CA C 23 58.240 58.255 -0.015 1
1 263 . 14 1 1 A 23 23 LEU CB C 23 41.844 41.601 0.243 1
1 267 . 14 1 1 A 23 23 LEU N N 23 123.900 122.295 1.605 1
1 268 . 14 1 1 A 24 24 LEU H H 24 8.305 8.161 0.144 1
1 269 . 14 1 1 A 24 24 LEU HA H 24 3.690 3.970 -0.280 1
1 279 . 14 1 1 A 24 24 LEU C C 24 179.620 179.422 0.198 1
1 280 . 14 1 1 A 24 24 LEU CA C 24 58.010 57.874 0.136 1
1 281 . 14 1 1 A 24 24 LEU CB C 24 41.320 40.856 0.464 1
1 285 . 14 1 1 A 24 24 LEU N N 24 117.100 118.529 -1.429 1
1 286 . 14 1 1 A 25 25 SER H H 25 7.226 8.172 -0.946 1
1 287 . 14 1 1 A 25 25 SER HA H 25 4.304 4.146 0.158 1
1 290 . 14 1 1 A 25 25 SER C C 25 178.100 176.987 1.113 1
1 291 . 14 1 1 A 25 25 SER CA C 25 60.900 61.586 -0.686 1
1 292 . 14 1 1 A 25 25 SER CB C 25 62.850 62.830 0.020 1
1 293 . 14 1 1 A 25 25 SER N N 25 111.500 114.159 -2.659 1
1 294 . 14 1 1 A 26 26 ALA H H 26 8.712 8.060 0.652 1
1 295 . 14 1 1 A 26 26 ALA HA H 26 4.138 4.108 0.030 1
1 299 . 14 1 1 A 26 26 ALA C C 26 180.000 179.698 0.302 1
1 300 . 14 1 1 A 26 26 ALA CA C 26 55.180 54.904 0.276 1
1 301 . 14 1 1 A 26 26 ALA CB C 26 18.200 18.358 -0.158 1
1 302 . 14 1 1 A 26 26 ALA N N 26 126.100 123.773 2.327 1
1 303 . 14 1 1 A 27 27 LEU H H 27 8.050 7.825 0.225 1
1 304 . 14 1 1 A 27 27 LEU HA H 27 4.314 4.095 0.219 1
1 314 . 14 1 1 A 27 27 LEU C C 27 175.810 176.374 -0.564 1
1 315 . 14 1 1 A 27 27 LEU CA C 27 54.307 57.271 -2.964 1
1 316 . 14 1 1 A 27 27 LEU CB C 27 42.021 42.285 -0.264 1
1 320 . 14 1 1 A 27 27 LEU N N 27 114.250 120.233 -5.983 1
1 321 . 14 1 1 A 28 28 LYS H H 28 7.766 8.003 -0.237 1
1 322 . 14 1 1 A 28 28 LYS HA H 28 3.869 3.893 -0.024 1
1 331 . 14 1 1 A 28 28 LYS C C 28 176.030 174.723 1.307 1
1 332 . 14 1 1 A 28 28 LYS CA C 28 56.630 57.065 -0.435 1
1 333 . 14 1 1 A 28 28 LYS CB C 28 28.893 30.120 -1.227 1
1 337 . 14 1 1 A 28 28 LYS N N 28 117.700 117.919 -0.219 1
1 338 . 14 1 1 A 29 29 VAL H H 29 7.583 7.816 -0.233 1
1 339 . 14 1 1 A 29 29 VAL HA H 29 3.520 4.809 -1.289 1
1 347 . 14 1 1 A 29 29 VAL C C 29 176.410 174.466 1.944 1
1 348 . 14 1 1 A 29 29 VAL CA C 29 63.741 59.666 4.075 1
1 349 . 14 1 1 A 29 29 VAL CB C 29 31.840 34.564 -2.724 1
1 352 . 14 1 1 A 29 29 VAL N N 29 119.200 118.365 0.835 1
1 353 . 14 1 1 A 30 30 ALA H H 30 8.543 8.638 -0.095 1
1 354 . 14 1 1 A 30 30 ALA HA H 30 4.215 4.198 0.017 1
1 358 . 14 1 1 A 30 30 ALA C C 30 177.710 178.186 -0.476 1
1 359 . 14 1 1 A 30 30 ALA CA C 30 52.330 52.880 -0.550 1
1 360 . 14 1 1 A 30 30 ALA CB C 30 19.170 19.221 -0.051 1
1 361 . 14 1 1 A 30 30 ALA N N 30 131.100 128.786 2.314 1
1 362 . 14 1 1 A 31 31 GLN H H 31 8.982 9.053 -0.071 1
1 363 . 14 1 1 A 31 31 GLN HA H 31 4.162 4.159 0.003 1
1 370 . 14 1 1 A 31 31 GLN C C 31 176.670 176.561 0.109 1
1 371 . 14 1 1 A 31 31 GLN CA C 31 56.100 56.951 -0.851 1
1 372 . 14 1 1 A 31 31 GLN CB C 31 27.390 25.939 1.451 1
1 374 . 14 1 1 A 31 31 GLN N N 31 117.300 116.777 0.523 1
1 376 . 14 1 1 A 32 32 ALA H H 32 8.029 7.955 0.074 1
1 377 . 14 1 1 A 32 32 ALA HA H 32 3.738 4.125 -0.387 1
1 381 . 14 1 1 A 32 32 ALA C C 32 178.700 179.879 -1.179 1
1 382 . 14 1 1 A 32 32 ALA CA C 32 55.010 54.916 0.094 1
1 383 . 14 1 1 A 32 32 ALA CB C 32 18.647 18.559 0.088 1
1 384 . 14 1 1 A 32 32 ALA N N 32 119.900 120.774 -0.874 1
1 385 . 14 1 1 A 33 33 GLU H H 33 9.338 8.207 1.131 1
1 386 . 14 1 1 A 33 33 GLU HA H 33 4.037 4.091 -0.054 1
1 391 . 14 1 1 A 33 33 GLU C C 33 176.370 176.989 -0.619 1
1 392 . 14 1 1 A 33 33 GLU CA C 33 58.280 58.236 0.044 1
1 393 . 14 1 1 A 33 33 GLU CB C 33 28.670 29.259 -0.589 1
1 395 . 14 1 1 A 33 33 GLU N N 33 116.800 119.417 -2.617 1
1 396 . 14 1 1 A 34 34 TYR H H 34 8.063 8.333 -0.270 1
1 397 . 14 1 1 A 34 34 TYR HA H 34 4.820 4.733 0.087 1
1 404 . 14 1 1 A 34 34 TYR C C 34 175.460 175.404 0.056 1
1 405 . 14 1 1 A 34 34 TYR CA C 34 56.800 58.273 -1.473 1
1 406 . 14 1 1 A 34 34 TYR CB C 34 39.810 40.045 -0.235 1
1 411 . 14 1 1 A 34 34 TYR N N 34 116.100 117.644 -1.544 1
1 412 . 14 1 1 A 35 35 VAL H H 35 7.330 7.207 0.123 1
1 413 . 14 1 1 A 35 35 VAL HA H 35 4.689 3.763 0.926 1
1 421 . 14 1 1 A 35 35 VAL C C 35 173.700 174.691 -0.991 1
1 422 . 14 1 1 A 35 35 VAL CA C 35 61.550 61.281 0.269 1
1 423 . 14 1 1 A 35 35 VAL CB C 35 33.650 32.667 0.983 1
1 426 . 14 1 1 A 35 35 VAL N N 35 121.200 121.251 -0.051 1
1 427 . 14 1 1 A 36 36 THR H H 36 8.879 7.104 1.775 1
1 428 . 14 1 1 A 36 36 THR HA H 36 4.696 4.708 -0.012 1
1 433 . 14 1 1 A 36 36 THR C C 36 172.930 174.380 -1.450 1
1 434 . 14 1 1 A 36 36 THR CA C 36 62.300 61.922 0.378 1
1 435 . 14 1 1 A 36 36 THR CB C 36 70.500 68.919 1.581 1
1 437 . 14 1 1 A 36 36 THR N N 36 126.800 123.422 3.378 1
1 438 . 14 1 1 A 37 37 VAL H H 37 9.616 9.111 0.505 1
1 439 . 14 1 1 A 37 37 VAL HA H 37 5.072 4.921 0.151 1
1 447 . 14 1 1 A 37 37 VAL C C 37 174.820 174.718 0.102 1
1 448 . 14 1 1 A 37 37 VAL CA C 37 59.440 58.651 0.789 1
1 449 . 14 1 1 A 37 37 VAL CB C 37 35.270 34.806 0.464 1
1 452 . 14 1 1 A 37 37 VAL N N 37 127.600 121.709 5.891 1
1 453 . 14 1 1 A 38 38 GLU H H 38 8.934 8.729 0.205 1
1 454 . 14 1 1 A 38 38 GLU HA H 38 5.059 5.202 -0.143 1
1 459 . 14 1 1 A 38 38 GLU C C 38 174.850 174.665 0.185 1
1 460 . 14 1 1 A 38 38 GLU CA C 38 53.989 54.716 -0.727 1
1 461 . 14 1 1 A 38 38 GLU CB C 38 32.599 33.010 -0.411 1
1 463 . 14 1 1 A 38 38 GLU N N 38 126.700 120.858 5.842 1
1 464 . 14 1 1 A 39 39 LEU H H 39 9.004 8.989 0.015 1
1 465 . 14 1 1 A 39 39 LEU HA H 39 5.082 4.625 0.457 1
1 474 . 14 1 1 A 39 39 LEU C C 39 175.890 176.336 -0.446 1
1 475 . 14 1 1 A 39 39 LEU CA C 39 53.030 53.839 -0.809 1
1 476 . 14 1 1 A 39 39 LEU CB C 39 45.640 42.770 2.870 1
1 479 . 14 1 1 A 39 39 LEU N N 39 128.700 126.145 2.555 1
1 480 . 14 1 1 A 40 40 ASN H H 40 10.210 9.625 0.585 1
1 481 . 14 1 1 A 40 40 ASN HA H 40 4.495 4.482 0.013 1
1 486 . 14 1 1 A 40 40 ASN C C 40 175.620 175.508 0.112 1
1 487 . 14 1 1 A 40 40 ASN CA C 40 54.540 54.553 -0.013 1
1 488 . 14 1 1 A 40 40 ASN CB C 40 37.280 37.367 -0.087 1
1 489 . 14 1 1 A 40 40 ASN N N 40 128.749 126.042 2.707 1
1 491 . 14 1 1 A 41 41 GLY H H 41 8.913 8.352 0.561 1
1 492 . 14 1 1 A 41 41 GLY HA2 H 41 4.162 3.866 0.296 1
1 493 . 14 1 1 A 41 41 GLY HA3 H 41 3.625 3.868 -0.243 1
1 494 . 14 1 1 A 41 41 GLY C C 41 173.380 173.415 -0.035 1
1 495 . 14 1 1 A 41 41 GLY CA C 41 45.220 45.355 -0.135 1
1 496 . 14 1 1 A 41 41 GLY N N 41 102.811 103.358 -0.547 1
1 497 . 14 1 1 A 42 42 GLU H H 42 7.716 7.786 -0.070 1
1 498 . 14 1 1 A 42 42 GLU HA H 42 4.655 4.578 0.077 1
1 503 . 14 1 1 A 42 42 GLU C C 42 175.300 175.695 -0.395 1
1 504 . 14 1 1 A 42 42 GLU CA C 42 54.190 55.429 -1.239 1
1 505 . 14 1 1 A 42 42 GLU CB C 42 31.770 31.008 0.762 1
1 507 . 14 1 1 A 42 42 GLU N N 42 120.731 121.429 -0.698 1
1 508 . 14 1 1 A 43 43 VAL H H 43 8.872 8.681 0.191 1
1 509 . 14 1 1 A 43 43 VAL HA H 43 4.025 4.251 -0.226 1
1 517 . 14 1 1 A 43 43 VAL C C 43 176.260 175.374 0.886 1
1 518 . 14 1 1 A 43 43 VAL CA C 43 64.110 62.697 1.413 1
1 519 . 14 1 1 A 43 43 VAL CB C 43 31.500 32.448 -0.948 1
1 522 . 14 1 1 A 43 43 VAL N N 43 126.800 128.085 -1.285 1
1 523 . 14 1 1 A 44 44 LEU H H 44 8.810 8.518 0.292 1
1 524 . 14 1 1 A 44 44 LEU HA H 44 4.656 4.800 -0.144 1
1 534 . 14 1 1 A 44 44 LEU C C 44 177.620 176.080 1.540 1
1 535 . 14 1 1 A 44 44 LEU CA C 44 53.750 53.428 0.322 1
1 536 . 14 1 1 A 44 44 LEU CB C 44 44.080 43.658 0.422 1
1 540 . 14 1 1 A 44 44 LEU N N 44 129.200 129.623 -0.423 1
1 541 . 14 1 1 A 45 45 GLU H H 45 8.742 8.394 0.348 1
1 542 . 14 1 1 A 45 45 GLU HA H 45 4.465 4.093 0.372 1
1 547 . 14 1 1 A 45 45 GLU C C 45 177.440 177.454 -0.014 1
1 548 . 14 1 1 A 45 45 GLU CA C 45 55.270 56.596 -1.326 1
1 549 . 14 1 1 A 45 45 GLU CB C 45 29.830 31.666 -1.836 1
1 551 . 14 1 1 A 45 45 GLU N N 45 122.500 122.923 -0.423 1
1 552 . 14 1 1 A 46 46 ARG H H 46 8.674 8.526 0.148 1
1 553 . 14 1 1 A 46 46 ARG HA H 46 2.384 2.575 -0.191 1
1 560 . 14 1 1 A 46 46 ARG C C 46 179.080 177.940 1.140 1
1 561 . 14 1 1 A 46 46 ARG CA C 46 58.150 59.174 -1.024 1
1 562 . 14 1 1 A 46 46 ARG CB C 46 29.050 29.601 -0.551 1
1 565 . 14 1 1 A 46 46 ARG N N 46 124.600 125.055 -0.455 1
1 566 . 14 1 1 A 47 47 GLU H H 47 9.010 7.665 1.345 1
1 567 . 14 1 1 A 47 47 GLU HA H 47 4.008 3.951 0.057 1
1 572 . 14 1 1 A 47 47 GLU C C 47 176.700 178.944 -2.244 1
1 573 . 14 1 1 A 47 47 GLU CA C 47 58.720 58.725 -0.005 1
1 574 . 14 1 1 A 47 47 GLU CB C 47 28.590 28.957 -0.367 1
1 576 . 14 1 1 A 47 47 GLU N N 47 117.300 118.961 -1.661 1
1 577 . 14 1 1 A 48 48 ALA H H 48 8.011 8.037 -0.026 1
1 578 . 14 1 1 A 48 48 ALA HA H 48 4.749 4.117 0.632 1
1 582 . 14 1 1 A 48 48 ALA C C 48 180.070 179.486 0.584 1
1 583 . 14 1 1 A 48 48 ALA CA C 48 51.780 54.575 -2.795 1
1 584 . 14 1 1 A 48 48 ALA CB C 48 19.390 18.424 0.966 1
1 585 . 14 1 1 A 48 48 ALA N N 48 120.200 121.193 -0.993 1
1 586 . 14 1 1 A 49 49 PHE H H 49 8.002 7.168 0.834 1
1 587 . 14 1 1 A 49 49 PHE HA H 49 4.305 4.325 -0.020 1
1 594 . 14 1 1 A 49 49 PHE C C 49 177.710 177.706 0.004 1
1 595 . 14 1 1 A 49 49 PHE CA C 49 59.969 61.469 -1.500 1
1 596 . 14 1 1 A 49 49 PHE CB C 49 36.820 38.307 -1.487 1
1 601 . 14 1 1 A 49 49 PHE N N 49 123.801 116.019 7.782 1
1 602 . 14 1 1 A 50 50 ASP H H 50 8.558 8.262 0.296 1
1 603 . 14 1 1 A 50 50 ASP HA H 50 4.561 4.473 0.088 1
1 606 . 14 1 1 A 50 50 ASP C C 50 176.610 177.495 -0.885 1
1 607 . 14 1 1 A 50 50 ASP CA C 50 56.100 57.042 -0.942 1
1 608 . 14 1 1 A 50 50 ASP CB C 50 40.350 40.712 -0.362 1
1 609 . 14 1 1 A 50 50 ASP N N 50 115.500 120.319 -4.819 1
1 610 . 14 1 1 A 51 51 ALA H H 51 7.539 7.694 -0.155 1
1 611 . 14 1 1 A 51 51 ALA HA H 51 4.498 4.344 0.154 1
1 615 . 14 1 1 A 51 51 ALA C C 51 177.370 177.245 0.125 1
1 616 . 14 1 1 A 51 51 ALA CA C 51 51.850 52.388 -0.538 1
1 617 . 14 1 1 A 51 51 ALA CB C 51 20.280 20.152 0.128 1
1 618 . 14 1 1 A 51 51 ALA N N 51 119.500 119.854 -0.354 1
1 619 . 14 1 1 A 52 52 THR H H 52 7.503 7.854 -0.351 1
1 620 . 14 1 1 A 52 52 THR HA H 52 4.376 4.425 -0.049 1
1 625 . 14 1 1 A 52 52 THR C C 52 172.780 173.680 -0.900 1
1 626 . 14 1 1 A 52 52 THR CA C 52 63.450 62.404 1.046 1
1 627 . 14 1 1 A 52 52 THR CB C 52 69.910 68.568 1.342 1
1 629 . 14 1 1 A 52 52 THR N N 52 117.700 114.393 3.307 1
1 630 . 14 1 1 A 53 53 THR H H 53 8.354 8.679 -0.325 1
1 631 . 14 1 1 A 53 53 THR HA H 53 4.521 4.786 -0.265 1
1 636 . 14 1 1 A 53 53 THR C C 53 173.000 174.264 -1.264 1
1 637 . 14 1 1 A 53 53 THR CA C 53 62.110 61.075 1.035 1
1 638 . 14 1 1 A 53 53 THR CB C 53 70.380 69.781 0.599 1
1 640 . 14 1 1 A 53 53 THR N N 53 120.700 119.260 1.440 1
1 641 . 14 1 1 A 54 54 VAL H H 54 9.223 8.973 0.250 1
1 642 . 14 1 1 A 54 54 VAL HA H 54 4.256 4.478 -0.222 1
1 650 . 14 1 1 A 54 54 VAL C C 54 173.500 175.450 -1.950 1
1 651 . 14 1 1 A 54 54 VAL CA C 54 61.330 61.809 -0.479 1
1 652 . 14 1 1 A 54 54 VAL CB C 54 33.090 32.412 0.678 1
1 655 . 14 1 1 A 54 54 VAL N N 54 126.200 127.378 -1.178 1
1 656 . 14 1 1 A 55 55 LYS H H 55 9.074 8.855 0.219 1
1 657 . 14 1 1 A 55 55 LYS HA H 55 4.847 4.830 0.017 1
1 666 . 14 1 1 A 55 55 LYS C C 55 174.610 175.273 -0.663 1
1 667 . 14 1 1 A 55 55 LYS CA C 55 54.265 54.045 0.220 1
1 668 . 14 1 1 A 55 55 LYS CB C 55 36.111 35.757 0.354 1
1 672 . 14 1 1 A 55 55 LYS N N 55 124.700 126.301 -1.601 1
1 673 . 14 1 1 A 56 56 ASP H H 56 8.111 8.582 -0.471 1
1 674 . 14 1 1 A 56 56 ASP HA H 56 4.553 4.250 0.303 1
1 677 . 14 1 1 A 56 56 ASP C C 56 177.720 177.429 0.291 1
1 678 . 14 1 1 A 56 56 ASP CA C 56 56.040 55.776 0.264 1
1 679 . 14 1 1 A 56 56 ASP CB C 56 43.070 40.368 2.702 1
1 680 . 14 1 1 A 56 56 ASP N N 56 116.700 121.661 -4.961 1
1 681 . 14 1 1 A 57 57 GLY H H 57 9.330 8.972 0.358 1
1 682 . 14 1 1 A 57 57 GLY HA2 H 57 4.343 3.861 0.482 1
1 683 . 14 1 1 A 57 57 GLY HA3 H 57 3.652 3.862 -0.210 1
1 684 . 14 1 1 A 57 57 GLY C C 57 175.140 173.050 2.090 1
1 685 . 14 1 1 A 57 57 GLY CA C 57 44.869 46.515 -1.646 1
1 686 . 14 1 1 A 57 57 GLY N N 57 113.900 113.256 0.644 1
1 687 . 14 1 1 A 58 58 ASP H H 58 8.104 7.787 0.317 1
1 688 . 14 1 1 A 58 58 ASP HA H 58 4.808 5.079 -0.271 1
1 691 . 14 1 1 A 58 58 ASP C C 58 174.100 174.087 0.013 1
1 692 . 14 1 1 A 58 58 ASP CA C 58 55.700 52.156 3.544 1
1 693 . 14 1 1 A 58 58 ASP CB C 58 42.080 43.511 -1.431 1
1 694 . 14 1 1 A 58 58 ASP N N 58 122.600 119.923 2.677 1
1 695 . 14 1 1 A 59 59 ALA H H 59 8.326 8.797 -0.471 1
1 696 . 14 1 1 A 59 59 ALA HA H 59 5.208 5.259 -0.051 1
1 700 . 14 1 1 A 59 59 ALA C C 59 174.350 175.378 -1.028 1
1 701 . 14 1 1 A 59 59 ALA CA C 59 50.110 50.820 -0.710 1
1 702 . 14 1 1 A 59 59 ALA CB C 59 20.760 20.474 0.286 1
1 703 . 14 1 1 A 59 59 ALA N N 59 121.100 123.597 -2.497 1
1 704 . 14 1 1 A 60 60 VAL H H 60 9.061 8.942 0.119 1
1 705 . 14 1 1 A 60 60 VAL HA H 60 4.117 4.640 -0.523 1
1 713 . 14 1 1 A 60 60 VAL C C 60 174.300 174.014 0.286 1
1 714 . 14 1 1 A 60 60 VAL CA C 60 61.830 60.488 1.342 1
1 715 . 14 1 1 A 60 60 VAL CB C 60 33.640 33.091 0.549 1
1 718 . 14 1 1 A 60 60 VAL N N 60 121.800 124.912 -3.112 1
1 719 . 14 1 1 A 61 61 GLU H H 61 9.027 9.065 -0.038 1
1 720 . 14 1 1 A 61 61 GLU HA H 61 4.778 4.813 -0.035 1
1 725 . 14 1 1 A 61 61 GLU C C 61 176.200 174.781 1.419 1
1 726 . 14 1 1 A 61 61 GLU CA C 61 54.152 55.546 -1.394 1
1 727 . 14 1 1 A 61 61 GLU CB C 61 32.477 30.216 2.261 1
1 729 . 14 1 1 A 61 61 GLU N N 61 123.900 127.981 -4.081 1
1 730 . 14 1 1 A 62 62 PHE H H 62 9.075 9.117 -0.042 1
1 731 . 14 1 1 A 62 62 PHE HA H 62 5.317 4.720 0.597 1
1 739 . 14 1 1 A 62 62 PHE C C 62 174.490 175.297 -0.807 1
1 740 . 14 1 1 A 62 62 PHE CA C 62 54.910 57.071 -2.161 1
1 741 . 14 1 1 A 62 62 PHE CB C 62 39.640 39.554 0.086 1
1 747 . 14 1 1 A 62 62 PHE N N 62 122.000 127.164 -5.164 1
1 748 . 14 1 1 A 63 63 LEU H H 63 8.996 8.339 0.657 1
1 749 . 14 1 1 A 63 63 LEU HA H 63 4.643 4.552 0.091 1
1 759 . 14 1 1 A 63 63 LEU C C 63 175.030 177.584 -2.554 1
1 760 . 14 1 1 A 63 63 LEU CA C 63 53.630 54.137 -0.507 1
1 761 . 14 1 1 A 63 63 LEU CB C 63 44.680 42.422 2.258 1
1 765 . 14 1 1 A 63 63 LEU N N 63 125.000 127.048 -2.048 1
1 766 . 14 1 1 A 64 64 TYR H H 64 8.669 8.691 -0.022 1
1 767 . 14 1 1 A 64 64 TYR HA H 64 4.758 4.314 0.444 1
1 774 . 14 1 1 A 64 64 TYR C C 64 175.630 175.907 -0.277 1
1 775 . 14 1 1 A 64 64 TYR CA C 64 57.460 58.958 -1.498 1
1 776 . 14 1 1 A 64 64 TYR CB C 64 39.690 37.014 2.676 1
1 781 . 14 1 1 A 64 64 TYR N N 64 120.100 120.834 -0.734 1
1 782 . 14 1 1 A 65 65 PHE H H 65 8.688 7.631 1.057 1
1 783 . 14 1 1 A 65 65 PHE HA H 65 4.777 4.494 0.283 1
1 791 . 14 1 1 A 65 65 PHE C C 65 175.940 175.369 0.571 1
1 792 . 14 1 1 A 65 65 PHE CA C 65 57.325 57.370 -0.045 1
1 793 . 14 1 1 A 65 65 PHE CB C 65 39.340 38.174 1.166 1
1 799 . 14 1 1 A 65 65 PHE N N 65 122.100 121.495 0.605 1
1 800 . 14 1 1 A 66 66 MET H H 66 8.611 8.529 0.082 1
1 801 . 14 1 1 A 66 66 MET HA H 66 4.537 5.279 -0.742 1
1 806 . 14 1 1 A 66 66 MET C C 66 176.630 175.362 1.268 1
1 807 . 14 1 1 A 66 66 MET CA C 66 55.370 54.334 1.036 1
1 808 . 14 1 1 A 66 66 MET CB C 66 32.710 35.863 -3.153 1
1 810 . 14 1 1 A 66 66 MET N N 66 121.700 123.088 -1.388 1
1 811 . 14 1 1 A 67 67 GLY H H 67 8.213 8.539 -0.326 1
1 812 . 14 1 1 A 67 67 GLY HA2 H 67 3.928 4.017 -0.089 1
1 813 . 14 1 1 A 67 67 GLY HA3 H 67 3.928 4.018 -0.090 1
1 814 . 14 1 1 A 67 67 GLY C C 67 174.800 175.324 -0.524 1
1 815 . 14 1 1 A 67 67 GLY CA C 67 45.359 45.301 0.058 1
1 816 . 14 1 1 A 67 67 GLY N N 67 109.600 112.616 -3.016 1
1 817 . 14 1 1 A 68 68 GLY H H 68 8.353 8.500 -0.147 1
1 818 . 14 1 1 A 68 68 GLY HA2 H 68 4.862 3.995 0.867 1
1 819 . 14 1 1 A 68 68 GLY HA3 H 68 4.861 3.999 0.862 1
1 820 . 14 1 1 A 68 68 GLY C C 68 174.760 175.265 -0.505 1
1 821 . 14 1 1 A 68 68 GLY CA C 68 45.402 45.777 -0.375 1
1 822 . 14 1 1 A 68 68 GLY N N 68 108.600 109.458 -0.858 1
1 823 . 14 1 1 A 69 69 GLY H H 69 8.406 8.884 -0.478 1
1 824 . 14 1 1 A 69 69 GLY HA2 H 69 3.953 3.943 0.010 1
1 825 . 14 1 1 A 69 69 GLY HA3 H 69 3.953 3.964 -0.011 1
1 826 . 14 1 1 A 69 69 GLY C C 69 174.070 173.899 0.171 1
1 827 . 14 1 1 A 69 69 GLY CA C 69 45.242 45.596 -0.354 1
1 828 . 14 1 1 A 69 69 GLY N N 69 109.100 107.693 1.407 1
1 829 . 14 1 1 A 70 70 LYS H H 70 8.153 7.789 0.364 1
1 830 . 14 1 1 A 70 70 LYS HA H 70 4.255 4.351 -0.096 1
1 839 . 14 1 1 A 70 70 LYS C C 70 176.490 176.181 0.309 1
1 840 . 14 1 1 A 70 70 LYS CA C 70 56.370 55.094 1.276 1
1 841 . 14 1 1 A 70 70 LYS CB C 70 33.130 30.954 2.176 1
1 845 . 14 1 1 A 70 70 LYS N N 70 120.500 122.592 -2.092 1
1 846 . 14 1 1 A 71 71 LEU H H 71 8.253 8.264 -0.011 1
1 847 . 14 1 1 A 71 71 LEU HA H 71 4.285 4.043 0.242 1
1 857 . 14 1 1 A 71 71 LEU C C 71 177.110 177.562 -0.452 1
1 858 . 14 1 1 A 71 71 LEU CA C 71 55.120 55.629 -0.509 1
1 859 . 14 1 1 A 71 71 LEU CB C 71 42.236 40.611 1.625 1
1 863 . 14 1 1 A 71 71 LEU N N 71 122.905 127.092 -4.187 1
1 864 . 14 1 1 A 72 72 GLU H H 72 8.343 8.712 -0.369 1
1 865 . 14 1 1 A 72 72 GLU HA H 72 4.238 4.523 -0.285 1
1 870 . 14 1 1 A 72 72 GLU C C 72 176.100 176.195 -0.095 1
1 871 . 14 1 1 A 72 72 GLU CA C 72 56.760 56.973 -0.213 1
1 872 . 14 1 1 A 72 72 GLU CB C 72 30.619 31.098 -0.479 1
1 874 . 14 1 1 A 72 72 GLU N N 72 121.500 123.991 -2.491 1
1 875 . 14 1 1 A 73 73 HIS H H 73 8.404 7.834 0.570 1
1 876 . 14 1 1 A 73 73 HIS HA H 73 4.593 5.252 -0.659 1
1 879 . 14 1 1 A 73 73 HIS C C 73 173.840 173.558 0.282 1
1 880 . 14 1 1 A 73 73 HIS CA C 73 55.777 54.649 1.128 1
1 881 . 14 1 1 A 73 73 HIS CB C 73 30.080 33.627 -3.547 1
1 882 . 14 1 1 A 73 73 HIS N N 73 119.733 118.305 1.428 1
1 883 . 14 1 1 A 74 74 HIS H H 74 8.213 8.920 -0.707 1
1 884 . 14 1 1 A 74 74 HIS CA C 74 57.175 53.667 3.508 1
1 885 . 14 1 1 A 74 74 HIS CB C 74 30.671 32.773 -2.102 1
1 9 . 15 1 1 A 2 2 ASN H H 2 9.645 8.795 0.850 1
1 10 . 15 1 1 A 2 2 ASN HA H 2 5.430 5.149 0.281 1
1 15 . 15 1 1 A 2 2 ASN CA C 2 52.761 53.035 -0.274 1
1 16 . 15 1 1 A 2 2 ASN CB C 2 40.140 39.516 0.624 1
1 17 . 15 1 1 A 2 2 ASN N N 2 125.300 121.659 3.641 1
1 19 . 15 1 1 A 3 3 LEU H H 3 8.769 8.750 0.019 1
1 20 . 15 1 1 A 3 3 LEU HA H 3 4.949 5.019 -0.070 1
1 30 . 15 1 1 A 3 3 LEU C C 3 176.320 175.624 0.696 1
1 31 . 15 1 1 A 3 3 LEU CA C 3 54.223 53.231 0.992 1
1 32 . 15 1 1 A 3 3 LEU CB C 3 45.941 45.972 -0.031 1
1 36 . 15 1 1 A 3 3 LEU N N 3 121.800 125.516 -3.716 1
1 37 . 15 1 1 A 4 4 THR H H 4 8.329 8.548 -0.219 1
1 38 . 15 1 1 A 4 4 THR HA H 4 4.744 4.776 -0.032 1
1 43 . 15 1 1 A 4 4 THR C C 4 173.650 173.625 0.025 1
1 44 . 15 1 1 A 4 4 THR CA C 4 62.150 62.082 0.068 1
1 45 . 15 1 1 A 4 4 THR CB C 4 69.430 69.083 0.347 1
1 47 . 15 1 1 A 4 4 THR N N 4 116.200 116.300 -0.100 1
1 48 . 15 1 1 A 5 5 VAL H H 5 8.955 8.932 0.023 1
1 49 . 15 1 1 A 5 5 VAL HA H 5 4.683 5.078 -0.395 1
1 57 . 15 1 1 A 5 5 VAL C C 5 176.470 175.864 0.606 1
1 58 . 15 1 1 A 5 5 VAL CA C 5 60.724 61.106 -0.382 1
1 59 . 15 1 1 A 5 5 VAL CB C 5 33.590 33.057 0.533 1
1 62 . 15 1 1 A 5 5 VAL N N 5 126.000 126.847 -0.847 1
1 63 . 15 1 1 A 6 6 ASN H H 6 9.534 9.413 0.121 1
1 64 . 15 1 1 A 6 6 ASN HA H 6 4.636 4.543 0.093 1
1 69 . 15 1 1 A 6 6 ASN C C 6 175.900 175.627 0.273 1
1 70 . 15 1 1 A 6 6 ASN CA C 6 54.150 54.599 -0.449 1
1 71 . 15 1 1 A 6 6 ASN CB C 6 36.410 37.067 -0.657 1
1 72 . 15 1 1 A 6 6 ASN N N 6 129.400 127.547 1.853 1
1 74 . 15 1 1 A 7 7 GLY H H 7 8.915 8.688 0.227 1
1 75 . 15 1 1 A 7 7 GLY HA2 H 7 4.170 3.876 0.294 1
1 76 . 15 1 1 A 7 7 GLY HA3 H 7 3.485 3.883 -0.398 1
1 77 . 15 1 1 A 7 7 GLY C C 7 173.950 173.768 0.182 1
1 78 . 15 1 1 A 7 7 GLY CA C 7 45.337 45.429 -0.092 1
1 79 . 15 1 1 A 7 7 GLY N N 7 102.200 104.879 -2.679 1
1 80 . 15 1 1 A 8 8 LYS H H 8 7.900 8.029 -0.129 1
1 81 . 15 1 1 A 8 8 LYS HA H 8 4.987 4.725 0.262 1
1 90 . 15 1 1 A 8 8 LYS CA C 8 52.940 52.948 -0.008 1
1 91 . 15 1 1 A 8 8 LYS CB C 8 34.010 33.989 0.021 1
1 95 . 15 1 1 A 8 8 LYS N N 8 121.700 121.819 -0.119 1
1 96 . 15 1 1 A 9 9 PRO HA H 9 4.700 4.694 0.006 1
1 103 . 15 1 1 A 9 9 PRO C C 9 176.900 175.640 1.260 1
1 104 . 15 1 1 A 9 9 PRO CA C 9 63.990 62.807 1.183 1
1 105 . 15 1 1 A 9 9 PRO CB C 9 32.000 30.966 1.034 1
1 108 . 15 1 1 A 10 10 SER H H 10 8.970 8.961 0.009 1
1 109 . 15 1 1 A 10 10 SER HA H 10 4.822 4.942 -0.120 1
1 112 . 15 1 1 A 10 10 SER C C 10 172.800 173.736 -0.936 1
1 113 . 15 1 1 A 10 10 SER CA C 10 57.880 57.758 0.122 1
1 114 . 15 1 1 A 10 10 SER CB C 10 66.361 64.134 2.227 1
1 115 . 15 1 1 A 10 10 SER N N 10 120.300 119.766 0.534 1
1 116 . 15 1 1 A 11 11 THR H H 11 8.590 8.974 -0.384 1
1 117 . 15 1 1 A 11 11 THR HA H 11 5.163 5.010 0.153 1
1 122 . 15 1 1 A 11 11 THR C C 11 173.720 173.893 -0.173 1
1 123 . 15 1 1 A 11 11 THR CA C 11 61.380 62.056 -0.676 1
1 124 . 15 1 1 A 11 11 THR CB C 11 71.950 69.461 2.489 1
1 126 . 15 1 1 A 11 11 THR N N 11 120.191 122.848 -2.657 1
1 127 . 15 1 1 A 12 12 VAL H H 12 8.563 8.514 0.049 1
1 128 . 15 1 1 A 12 12 VAL HA H 12 4.172 4.761 -0.589 1
1 136 . 15 1 1 A 12 12 VAL C C 12 175.380 174.499 0.881 1
1 137 . 15 1 1 A 12 12 VAL CA C 12 61.350 61.078 0.272 1
1 138 . 15 1 1 A 12 12 VAL CB C 12 33.053 32.921 0.132 1
1 141 . 15 1 1 A 12 12 VAL N N 12 125.000 123.289 1.711 1
1 142 . 15 1 1 A 13 13 ASP H H 13 8.878 8.838 0.040 1
1 143 . 15 1 1 A 13 13 ASP HA H 13 4.501 4.392 0.109 1
1 146 . 15 1 1 A 13 13 ASP C C 13 177.180 176.979 0.201 1
1 147 . 15 1 1 A 13 13 ASP CA C 13 55.120 55.301 -0.181 1
1 148 . 15 1 1 A 13 13 ASP CB C 13 41.450 41.318 0.132 1
1 149 . 15 1 1 A 13 13 ASP N N 13 128.300 126.858 1.442 1
1 150 . 15 1 1 A 14 14 GLY H H 14 8.697 8.915 -0.218 1
1 151 . 15 1 1 A 14 14 GLY HA2 H 14 4.076 3.999 0.077 1
1 152 . 15 1 1 A 14 14 GLY HA3 H 14 3.719 4.000 -0.281 1
1 153 . 15 1 1 A 14 14 GLY C C 14 173.244 174.126 -0.882 1
1 154 . 15 1 1 A 14 14 GLY CA C 14 45.887 45.312 0.575 1
1 155 . 15 1 1 A 14 14 GLY N N 14 109.900 114.228 -4.328 1
1 156 . 15 1 1 A 15 15 ALA H H 15 7.360 7.801 -0.441 1
1 157 . 15 1 1 A 15 15 ALA HA H 15 4.601 4.294 0.307 1
1 161 . 15 1 1 A 15 15 ALA C C 15 176.240 177.157 -0.917 1
1 162 . 15 1 1 A 15 15 ALA CA C 15 51.370 52.492 -1.122 1
1 163 . 15 1 1 A 15 15 ALA CB C 15 20.970 19.384 1.586 1
1 164 . 15 1 1 A 15 15 ALA N N 15 121.213 123.458 -2.245 1
1 165 . 15 1 1 A 16 16 GLU H H 16 8.967 9.124 -0.157 1
1 166 . 15 1 1 A 16 16 GLU HA H 16 4.406 4.494 -0.088 1
1 171 . 15 1 1 A 16 16 GLU C C 16 175.800 175.250 0.550 1
1 172 . 15 1 1 A 16 16 GLU CA C 16 57.170 57.923 -0.753 1
1 173 . 15 1 1 A 16 16 GLU CB C 16 30.700 31.786 -1.086 1
1 175 . 15 1 1 A 16 16 GLU N N 16 120.800 125.815 -5.015 1
1 176 . 15 1 1 A 17 17 SER H H 17 7.587 7.870 -0.283 1
1 177 . 15 1 1 A 17 17 SER HA H 17 4.891 5.107 -0.216 1
1 180 . 15 1 1 A 17 17 SER C C 17 172.400 173.083 -0.683 1
1 181 . 15 1 1 A 17 17 SER CA C 17 57.797 57.546 0.251 1
1 182 . 15 1 1 A 17 17 SER CB C 17 64.571 65.470 -0.899 1
1 183 . 15 1 1 A 17 17 SER N N 17 111.600 113.238 -1.638 1
1 184 . 15 1 1 A 18 18 LEU H H 18 8.285 8.436 -0.151 1
1 185 . 15 1 1 A 18 18 LEU HA H 18 4.810 4.969 -0.159 1
1 195 . 15 1 1 A 18 18 LEU C C 18 175.800 175.720 0.080 1
1 196 . 15 1 1 A 18 18 LEU CA C 18 54.230 53.821 0.409 1
1 197 . 15 1 1 A 18 18 LEU CB C 18 47.430 44.960 2.470 1
1 201 . 15 1 1 A 18 18 LEU N N 18 122.165 122.168 -0.003 1
1 202 . 15 1 1 A 19 19 ASN H H 19 8.920 8.743 0.177 1
1 203 . 15 1 1 A 19 19 ASN HA H 19 5.768 5.017 0.751 1
1 208 . 15 1 1 A 19 19 ASN C C 19 176.170 176.657 -0.487 1
1 209 . 15 1 1 A 19 19 ASN CA C 19 51.650 52.142 -0.492 1
1 210 . 15 1 1 A 19 19 ASN CB C 19 38.430 39.084 -0.654 1
1 211 . 15 1 1 A 19 19 ASN N N 19 118.700 118.710 -0.010 1
1 213 . 15 1 1 A 20 20 VAL H H 20 7.805 8.522 -0.717 1
1 214 . 15 1 1 A 20 20 VAL HA H 20 3.297 3.738 -0.441 1
1 222 . 15 1 1 A 20 20 VAL C C 20 176.770 177.776 -1.006 1
1 223 . 15 1 1 A 20 20 VAL CA C 20 67.360 66.015 1.345 1
1 224 . 15 1 1 A 20 20 VAL CB C 20 30.940 31.573 -0.633 1
1 227 . 15 1 1 A 20 20 VAL N N 20 117.900 120.528 -2.628 1
1 228 . 15 1 1 A 21 21 THR H H 21 7.230 8.328 -1.098 1
1 229 . 15 1 1 A 21 21 THR HA H 21 3.665 3.971 -0.306 1
1 234 . 15 1 1 A 21 21 THR C C 21 177.360 176.524 0.836 1
1 235 . 15 1 1 A 21 21 THR CA C 21 67.077 67.455 -0.378 1
1 236 . 15 1 1 A 21 21 THR CB C 21 68.460 68.434 0.026 1
1 238 . 15 1 1 A 21 21 THR N N 21 117.400 116.579 0.821 1
1 239 . 15 1 1 A 22 22 GLU H H 22 8.750 8.245 0.505 1
1 240 . 15 1 1 A 22 22 GLU HA H 22 4.046 4.117 -0.071 1
1 245 . 15 1 1 A 22 22 GLU C C 22 179.910 178.959 0.951 1
1 246 . 15 1 1 A 22 22 GLU CA C 22 58.550 59.267 -0.717 1
1 247 . 15 1 1 A 22 22 GLU CB C 22 30.550 29.534 1.016 1
1 249 . 15 1 1 A 22 22 GLU N N 22 121.238 120.754 0.484 1
1 250 . 15 1 1 A 23 23 LEU H H 23 8.766 7.957 0.809 1
1 251 . 15 1 1 A 23 23 LEU HA H 23 3.935 4.099 -0.164 1
1 261 . 15 1 1 A 23 23 LEU C C 23 177.800 178.260 -0.460 1
1 262 . 15 1 1 A 23 23 LEU CA C 23 58.240 58.087 0.153 1
1 263 . 15 1 1 A 23 23 LEU CB C 23 41.844 41.491 0.353 1
1 267 . 15 1 1 A 23 23 LEU N N 23 123.900 122.381 1.519 1
1 268 . 15 1 1 A 24 24 LEU H H 24 8.305 8.480 -0.175 1
1 269 . 15 1 1 A 24 24 LEU HA H 24 3.690 4.106 -0.416 1
1 279 . 15 1 1 A 24 24 LEU C C 24 179.620 178.726 0.894 1
1 280 . 15 1 1 A 24 24 LEU CA C 24 58.010 58.178 -0.168 1
1 281 . 15 1 1 A 24 24 LEU CB C 24 41.320 41.471 -0.151 1
1 285 . 15 1 1 A 24 24 LEU N N 24 117.100 120.342 -3.242 1
1 286 . 15 1 1 A 25 25 SER H H 25 7.226 8.315 -1.089 1
1 287 . 15 1 1 A 25 25 SER HA H 25 4.304 4.269 0.035 1
1 290 . 15 1 1 A 25 25 SER C C 25 178.100 176.518 1.582 1
1 291 . 15 1 1 A 25 25 SER CA C 25 60.900 61.378 -0.478 1
1 292 . 15 1 1 A 25 25 SER CB C 25 62.850 63.210 -0.360 1
1 293 . 15 1 1 A 25 25 SER N N 25 111.500 116.982 -5.482 1
1 294 . 15 1 1 A 26 26 ALA H H 26 8.712 8.022 0.690 1
1 295 . 15 1 1 A 26 26 ALA HA H 26 4.138 4.132 0.006 1
1 299 . 15 1 1 A 26 26 ALA C C 26 180.000 179.541 0.459 1
1 300 . 15 1 1 A 26 26 ALA CA C 26 55.180 54.759 0.421 1
1 301 . 15 1 1 A 26 26 ALA CB C 26 18.200 18.643 -0.443 1
1 302 . 15 1 1 A 26 26 ALA N N 26 126.100 122.944 3.156 1
1 303 . 15 1 1 A 27 27 LEU H H 27 8.050 7.478 0.572 1
1 304 . 15 1 1 A 27 27 LEU HA H 27 4.314 4.243 0.071 1
1 314 . 15 1 1 A 27 27 LEU C C 27 175.810 176.535 -0.725 1
1 315 . 15 1 1 A 27 27 LEU CA C 27 54.307 55.155 -0.848 1
1 316 . 15 1 1 A 27 27 LEU CB C 27 42.021 43.087 -1.066 1
1 320 . 15 1 1 A 27 27 LEU N N 27 114.250 113.421 0.829 1
1 321 . 15 1 1 A 28 28 LYS H H 28 7.766 7.904 -0.138 1
1 322 . 15 1 1 A 28 28 LYS HA H 28 3.869 4.027 -0.158 1
1 331 . 15 1 1 A 28 28 LYS C C 28 176.030 174.824 1.206 1
1 332 . 15 1 1 A 28 28 LYS CA C 28 56.630 56.770 -0.140 1
1 333 . 15 1 1 A 28 28 LYS CB C 28 28.893 30.808 -1.915 1
1 337 . 15 1 1 A 28 28 LYS N N 28 117.700 115.398 2.302 1
1 338 . 15 1 1 A 29 29 VAL H H 29 7.583 8.006 -0.423 1
1 339 . 15 1 1 A 29 29 VAL HA H 29 3.520 4.654 -1.134 1
1 347 . 15 1 1 A 29 29 VAL C C 29 176.410 176.700 -0.290 1
1 348 . 15 1 1 A 29 29 VAL CA C 29 63.741 60.257 3.484 1
1 349 . 15 1 1 A 29 29 VAL CB C 29 31.840 34.069 -2.229 1
1 352 . 15 1 1 A 29 29 VAL N N 29 119.200 120.063 -0.863 1
1 353 . 15 1 1 A 30 30 ALA H H 30 8.543 8.966 -0.423 1
1 354 . 15 1 1 A 30 30 ALA HA H 30 4.215 4.025 0.190 1
1 358 . 15 1 1 A 30 30 ALA C C 30 177.710 178.336 -0.626 1
1 359 . 15 1 1 A 30 30 ALA CA C 30 52.330 54.701 -2.371 1
1 360 . 15 1 1 A 30 30 ALA CB C 30 19.170 18.507 0.663 1
1 361 . 15 1 1 A 30 30 ALA N N 30 131.100 131.506 -0.406 1
1 362 . 15 1 1 A 31 31 GLN H H 31 8.982 7.822 1.160 1
1 363 . 15 1 1 A 31 31 GLN HA H 31 4.162 4.930 -0.768 1
1 370 . 15 1 1 A 31 31 GLN C C 31 176.670 175.997 0.673 1
1 371 . 15 1 1 A 31 31 GLN CA C 31 56.100 55.627 0.473 1
1 372 . 15 1 1 A 31 31 GLN CB C 31 27.390 29.098 -1.708 1
1 374 . 15 1 1 A 31 31 GLN N N 31 117.300 116.372 0.928 1
1 376 . 15 1 1 A 32 32 ALA H H 32 8.029 7.851 0.178 1
1 377 . 15 1 1 A 32 32 ALA HA H 32 3.738 3.919 -0.181 1
1 381 . 15 1 1 A 32 32 ALA C C 32 178.700 179.988 -1.288 1
1 382 . 15 1 1 A 32 32 ALA CA C 32 55.010 55.039 -0.029 1
1 383 . 15 1 1 A 32 32 ALA CB C 32 18.647 18.440 0.207 1
1 384 . 15 1 1 A 32 32 ALA N N 32 119.900 122.879 -2.979 1
1 385 . 15 1 1 A 33 33 GLU H H 33 9.338 8.146 1.192 1
1 386 . 15 1 1 A 33 33 GLU HA H 33 4.037 3.933 0.104 1
1 391 . 15 1 1 A 33 33 GLU C C 33 176.370 177.655 -1.285 1
1 392 . 15 1 1 A 33 33 GLU CA C 33 58.280 58.982 -0.702 1
1 393 . 15 1 1 A 33 33 GLU CB C 33 28.670 29.025 -0.355 1
1 395 . 15 1 1 A 33 33 GLU N N 33 116.800 119.650 -2.850 1
1 396 . 15 1 1 A 34 34 TYR H H 34 8.063 7.916 0.147 1
1 397 . 15 1 1 A 34 34 TYR HA H 34 4.820 4.634 0.186 1
1 404 . 15 1 1 A 34 34 TYR C C 34 175.460 175.892 -0.432 1
1 405 . 15 1 1 A 34 34 TYR CA C 34 56.800 58.794 -1.994 1
1 406 . 15 1 1 A 34 34 TYR CB C 34 39.810 39.252 0.558 1
1 411 . 15 1 1 A 34 34 TYR N N 34 116.100 116.557 -0.457 1
1 412 . 15 1 1 A 35 35 VAL H H 35 7.330 7.539 -0.209 1
1 413 . 15 1 1 A 35 35 VAL HA H 35 4.689 4.152 0.537 1
1 421 . 15 1 1 A 35 35 VAL C C 35 173.700 175.258 -1.558 1
1 422 . 15 1 1 A 35 35 VAL CA C 35 61.550 63.161 -1.611 1
1 423 . 15 1 1 A 35 35 VAL CB C 35 33.650 32.201 1.449 1
1 426 . 15 1 1 A 35 35 VAL N N 35 121.200 121.363 -0.163 1
1 427 . 15 1 1 A 36 36 THR H H 36 8.879 8.972 -0.093 1
1 428 . 15 1 1 A 36 36 THR HA H 36 4.696 4.758 -0.062 1
1 433 . 15 1 1 A 36 36 THR C C 36 172.930 173.776 -0.846 1
1 434 . 15 1 1 A 36 36 THR CA C 36 62.300 62.151 0.149 1
1 435 . 15 1 1 A 36 36 THR CB C 36 70.500 68.722 1.778 1
1 437 . 15 1 1 A 36 36 THR N N 36 126.800 125.516 1.284 1
1 438 . 15 1 1 A 37 37 VAL H H 37 9.616 8.974 0.642 1
1 439 . 15 1 1 A 37 37 VAL HA H 37 5.072 5.083 -0.011 1
1 447 . 15 1 1 A 37 37 VAL C C 37 174.820 174.308 0.512 1
1 448 . 15 1 1 A 37 37 VAL CA C 37 59.440 59.105 0.335 1
1 449 . 15 1 1 A 37 37 VAL CB C 37 35.270 36.217 -0.947 1
1 452 . 15 1 1 A 37 37 VAL N N 37 127.600 119.616 7.984 1
1 453 . 15 1 1 A 38 38 GLU H H 38 8.934 8.983 -0.049 1
1 454 . 15 1 1 A 38 38 GLU HA H 38 5.059 5.080 -0.021 1
1 459 . 15 1 1 A 38 38 GLU C C 38 174.850 174.542 0.308 1
1 460 . 15 1 1 A 38 38 GLU CA C 38 53.989 54.506 -0.517 1
1 461 . 15 1 1 A 38 38 GLU CB C 38 32.599 33.359 -0.760 1
1 463 . 15 1 1 A 38 38 GLU N N 38 126.700 121.968 4.732 1
1 464 . 15 1 1 A 39 39 LEU H H 39 9.004 8.578 0.426 1
1 465 . 15 1 1 A 39 39 LEU HA H 39 5.082 4.702 0.380 1
1 474 . 15 1 1 A 39 39 LEU C C 39 175.890 177.126 -1.236 1
1 475 . 15 1 1 A 39 39 LEU CA C 39 53.030 54.026 -0.996 1
1 476 . 15 1 1 A 39 39 LEU CB C 39 45.640 41.141 4.499 1
1 479 . 15 1 1 A 39 39 LEU N N 39 128.700 124.824 3.876 1
1 480 . 15 1 1 A 40 40 ASN H H 40 10.210 9.875 0.335 1
1 481 . 15 1 1 A 40 40 ASN HA H 40 4.495 4.460 0.035 1
1 486 . 15 1 1 A 40 40 ASN C C 40 175.620 175.379 0.241 1
1 487 . 15 1 1 A 40 40 ASN CA C 40 54.540 54.454 0.086 1
1 488 . 15 1 1 A 40 40 ASN CB C 40 37.280 36.881 0.399 1
1 489 . 15 1 1 A 40 40 ASN N N 40 128.749 124.973 3.776 1
1 491 . 15 1 1 A 41 41 GLY H H 41 8.913 8.346 0.567 1
1 492 . 15 1 1 A 41 41 GLY HA2 H 41 4.162 4.059 0.103 1
1 493 . 15 1 1 A 41 41 GLY HA3 H 41 3.625 4.061 -0.436 1
1 494 . 15 1 1 A 41 41 GLY C C 41 173.380 173.988 -0.608 1
1 495 . 15 1 1 A 41 41 GLY CA C 41 45.220 45.109 0.111 1
1 496 . 15 1 1 A 41 41 GLY N N 41 102.811 105.397 -2.586 1
1 497 . 15 1 1 A 42 42 GLU H H 42 7.716 7.736 -0.020 1
1 498 . 15 1 1 A 42 42 GLU HA H 42 4.655 4.405 0.250 1
1 503 . 15 1 1 A 42 42 GLU C C 42 175.300 175.653 -0.353 1
1 504 . 15 1 1 A 42 42 GLU CA C 42 54.190 55.419 -1.229 1
1 505 . 15 1 1 A 42 42 GLU CB C 42 31.770 30.476 1.294 1
1 507 . 15 1 1 A 42 42 GLU N N 42 120.731 120.305 0.426 1
1 508 . 15 1 1 A 43 43 VAL H H 43 8.872 8.495 0.377 1
1 509 . 15 1 1 A 43 43 VAL HA H 43 4.025 4.185 -0.160 1
1 517 . 15 1 1 A 43 43 VAL C C 43 176.260 175.326 0.934 1
1 518 . 15 1 1 A 43 43 VAL CA C 43 64.110 62.776 1.334 1
1 519 . 15 1 1 A 43 43 VAL CB C 43 31.500 32.932 -1.432 1
1 522 . 15 1 1 A 43 43 VAL N N 43 126.800 127.759 -0.959 1
1 523 . 15 1 1 A 44 44 LEU H H 44 8.810 8.019 0.791 1
1 524 . 15 1 1 A 44 44 LEU HA H 44 4.656 4.751 -0.095 1
1 534 . 15 1 1 A 44 44 LEU C C 44 177.620 175.616 2.004 1
1 535 . 15 1 1 A 44 44 LEU CA C 44 53.750 53.034 0.716 1
1 536 . 15 1 1 A 44 44 LEU CB C 44 44.080 43.536 0.544 1
1 540 . 15 1 1 A 44 44 LEU N N 44 129.200 127.093 2.107 1
1 541 . 15 1 1 A 45 45 GLU H H 45 8.742 8.591 0.151 1
1 542 . 15 1 1 A 45 45 GLU HA H 45 4.465 4.635 -0.170 1
1 547 . 15 1 1 A 45 45 GLU C C 45 177.440 177.626 -0.186 1
1 548 . 15 1 1 A 45 45 GLU CA C 45 55.270 55.973 -0.703 1
1 549 . 15 1 1 A 45 45 GLU CB C 45 29.830 31.572 -1.742 1
1 551 . 15 1 1 A 45 45 GLU N N 45 122.500 124.409 -1.909 1
1 552 . 15 1 1 A 46 46 ARG H H 46 8.674 8.863 -0.189 1
1 553 . 15 1 1 A 46 46 ARG HA H 46 2.384 3.916 -1.532 1
1 560 . 15 1 1 A 46 46 ARG C C 46 179.080 177.883 1.197 1
1 561 . 15 1 1 A 46 46 ARG CA C 46 58.150 59.933 -1.783 1
1 562 . 15 1 1 A 46 46 ARG CB C 46 29.050 30.119 -1.069 1
1 565 . 15 1 1 A 46 46 ARG N N 46 124.600 125.304 -0.704 1
1 566 . 15 1 1 A 47 47 GLU H H 47 9.010 8.383 0.627 1
1 567 . 15 1 1 A 47 47 GLU HA H 47 4.008 4.212 -0.204 1
1 572 . 15 1 1 A 47 47 GLU C C 47 176.700 178.944 -2.244 1
1 573 . 15 1 1 A 47 47 GLU CA C 47 58.720 58.457 0.263 1
1 574 . 15 1 1 A 47 47 GLU CB C 47 28.590 29.230 -0.640 1
1 576 . 15 1 1 A 47 47 GLU N N 47 117.300 118.526 -1.226 1
1 577 . 15 1 1 A 48 48 ALA H H 48 8.011 8.497 -0.486 1
1 578 . 15 1 1 A 48 48 ALA HA H 48 4.749 4.129 0.620 1
1 582 . 15 1 1 A 48 48 ALA C C 48 180.070 179.339 0.731 1
1 583 . 15 1 1 A 48 48 ALA CA C 48 51.780 54.863 -3.083 1
1 584 . 15 1 1 A 48 48 ALA CB C 48 19.390 18.192 1.198 1
1 585 . 15 1 1 A 48 48 ALA N N 48 120.200 122.508 -2.308 1
1 586 . 15 1 1 A 49 49 PHE H H 49 8.002 7.728 0.274 1
1 587 . 15 1 1 A 49 49 PHE HA H 49 4.305 4.346 -0.041 1
1 594 . 15 1 1 A 49 49 PHE C C 49 177.710 178.089 -0.379 1
1 595 . 15 1 1 A 49 49 PHE CA C 49 59.969 61.608 -1.639 1
1 596 . 15 1 1 A 49 49 PHE CB C 49 36.820 38.509 -1.689 1
1 601 . 15 1 1 A 49 49 PHE N N 49 123.801 116.120 7.681 1
1 602 . 15 1 1 A 50 50 ASP H H 50 8.558 8.245 0.313 1
1 603 . 15 1 1 A 50 50 ASP HA H 50 4.561 4.385 0.176 1
1 606 . 15 1 1 A 50 50 ASP C C 50 176.610 178.702 -2.092 1
1 607 . 15 1 1 A 50 50 ASP CA C 50 56.100 57.263 -1.163 1
1 608 . 15 1 1 A 50 50 ASP CB C 50 40.350 40.555 -0.205 1
1 609 . 15 1 1 A 50 50 ASP N N 50 115.500 118.825 -3.325 1
1 610 . 15 1 1 A 51 51 ALA H H 51 7.539 7.273 0.266 1
1 611 . 15 1 1 A 51 51 ALA HA H 51 4.498 4.197 0.301 1
1 615 . 15 1 1 A 51 51 ALA C C 51 177.370 178.182 -0.812 1
1 616 . 15 1 1 A 51 51 ALA CA C 51 51.850 55.070 -3.220 1
1 617 . 15 1 1 A 51 51 ALA CB C 51 20.280 18.837 1.443 1
1 618 . 15 1 1 A 51 51 ALA N N 51 119.500 120.142 -0.642 1
1 619 . 15 1 1 A 52 52 THR H H 52 7.503 8.094 -0.591 1
1 620 . 15 1 1 A 52 52 THR HA H 52 4.376 4.234 0.142 1
1 625 . 15 1 1 A 52 52 THR C C 52 172.780 174.030 -1.250 1
1 626 . 15 1 1 A 52 52 THR CA C 52 63.450 63.661 -0.211 1
1 627 . 15 1 1 A 52 52 THR CB C 52 69.910 68.848 1.062 1
1 629 . 15 1 1 A 52 52 THR N N 52 117.700 113.120 4.580 1
1 630 . 15 1 1 A 53 53 THR H H 53 8.354 8.701 -0.347 1
1 631 . 15 1 1 A 53 53 THR HA H 53 4.521 5.227 -0.706 1
1 636 . 15 1 1 A 53 53 THR C C 53 173.000 173.737 -0.737 1
1 637 . 15 1 1 A 53 53 THR CA C 53 62.110 60.248 1.862 1
1 638 . 15 1 1 A 53 53 THR CB C 53 70.380 70.569 -0.189 1
1 640 . 15 1 1 A 53 53 THR N N 53 120.700 119.177 1.523 1
1 641 . 15 1 1 A 54 54 VAL H H 54 9.223 9.179 0.044 1
1 642 . 15 1 1 A 54 54 VAL HA H 54 4.256 4.581 -0.325 1
1 650 . 15 1 1 A 54 54 VAL C C 54 173.500 175.756 -2.256 1
1 651 . 15 1 1 A 54 54 VAL CA C 54 61.330 61.561 -0.231 1
1 652 . 15 1 1 A 54 54 VAL CB C 54 33.090 32.266 0.824 1
1 655 . 15 1 1 A 54 54 VAL N N 54 126.200 124.946 1.254 1
1 656 . 15 1 1 A 55 55 LYS H H 55 9.074 8.829 0.245 1
1 657 . 15 1 1 A 55 55 LYS HA H 55 4.847 4.860 -0.013 1
1 666 . 15 1 1 A 55 55 LYS C C 55 174.610 175.229 -0.619 1
1 667 . 15 1 1 A 55 55 LYS CA C 55 54.265 54.259 0.006 1
1 668 . 15 1 1 A 55 55 LYS CB C 55 36.111 36.113 -0.002 1
1 672 . 15 1 1 A 55 55 LYS N N 55 124.700 125.950 -1.250 1
1 673 . 15 1 1 A 56 56 ASP H H 56 8.111 8.581 -0.470 1
1 674 . 15 1 1 A 56 56 ASP HA H 56 4.553 4.338 0.215 1
1 677 . 15 1 1 A 56 56 ASP C C 56 177.720 176.870 0.850 1
1 678 . 15 1 1 A 56 56 ASP CA C 56 56.040 55.737 0.303 1
1 679 . 15 1 1 A 56 56 ASP CB C 56 43.070 40.417 2.653 1
1 680 . 15 1 1 A 56 56 ASP N N 56 116.700 121.585 -4.885 1
1 681 . 15 1 1 A 57 57 GLY H H 57 9.330 8.867 0.463 1
1 682 . 15 1 1 A 57 57 GLY HA2 H 57 4.343 4.027 0.316 1
1 683 . 15 1 1 A 57 57 GLY HA3 H 57 3.652 4.029 -0.377 1
1 684 . 15 1 1 A 57 57 GLY C C 57 175.140 174.169 0.971 1
1 685 . 15 1 1 A 57 57 GLY CA C 57 44.869 45.005 -0.136 1
1 686 . 15 1 1 A 57 57 GLY N N 57 113.900 113.775 0.125 1
1 687 . 15 1 1 A 58 58 ASP H H 58 8.104 7.780 0.324 1
1 688 . 15 1 1 A 58 58 ASP HA H 58 4.808 4.880 -0.072 1
1 691 . 15 1 1 A 58 58 ASP C C 58 174.100 175.197 -1.097 1
1 692 . 15 1 1 A 58 58 ASP CA C 58 55.700 54.183 1.517 1
1 693 . 15 1 1 A 58 58 ASP CB C 58 42.080 42.081 -0.001 1
1 694 . 15 1 1 A 58 58 ASP N N 58 122.600 120.486 2.114 1
1 695 . 15 1 1 A 59 59 ALA H H 59 8.326 8.758 -0.432 1
1 696 . 15 1 1 A 59 59 ALA HA H 59 5.208 5.572 -0.364 1
1 700 . 15 1 1 A 59 59 ALA C C 59 174.350 175.794 -1.444 1
1 701 . 15 1 1 A 59 59 ALA CA C 59 50.110 50.430 -0.320 1
1 702 . 15 1 1 A 59 59 ALA CB C 59 20.760 21.331 -0.571 1
1 703 . 15 1 1 A 59 59 ALA N N 59 121.100 123.951 -2.851 1
1 704 . 15 1 1 A 60 60 VAL H H 60 9.061 8.948 0.113 1
1 705 . 15 1 1 A 60 60 VAL HA H 60 4.117 4.920 -0.803 1
1 713 . 15 1 1 A 60 60 VAL C C 60 174.300 173.374 0.926 1
1 714 . 15 1 1 A 60 60 VAL CA C 60 61.830 60.117 1.713 1
1 715 . 15 1 1 A 60 60 VAL CB C 60 33.640 35.279 -1.639 1
1 718 . 15 1 1 A 60 60 VAL N N 60 121.800 119.844 1.956 1
1 719 . 15 1 1 A 61 61 GLU H H 61 9.027 8.462 0.565 1
1 720 . 15 1 1 A 61 61 GLU HA H 61 4.778 4.839 -0.061 1
1 725 . 15 1 1 A 61 61 GLU C C 61 176.200 175.234 0.966 1
1 726 . 15 1 1 A 61 61 GLU CA C 61 54.152 54.775 -0.623 1
1 727 . 15 1 1 A 61 61 GLU CB C 61 32.477 30.565 1.912 1
1 729 . 15 1 1 A 61 61 GLU N N 61 123.900 130.667 -6.767 1
1 730 . 15 1 1 A 62 62 PHE H H 62 9.075 9.166 -0.091 1
1 731 . 15 1 1 A 62 62 PHE HA H 62 5.317 4.845 0.472 1
1 739 . 15 1 1 A 62 62 PHE C C 62 174.490 174.687 -0.197 1
1 740 . 15 1 1 A 62 62 PHE CA C 62 54.910 56.647 -1.737 1
1 741 . 15 1 1 A 62 62 PHE CB C 62 39.640 39.043 0.597 1
1 747 . 15 1 1 A 62 62 PHE N N 62 122.000 129.337 -7.337 1
1 748 . 15 1 1 A 63 63 LEU H H 63 8.996 7.893 1.103 1
1 749 . 15 1 1 A 63 63 LEU HA H 63 4.643 4.416 0.227 1
1 759 . 15 1 1 A 63 63 LEU C C 63 175.030 178.301 -3.271 1
1 760 . 15 1 1 A 63 63 LEU CA C 63 53.630 55.781 -2.151 1
1 761 . 15 1 1 A 63 63 LEU CB C 63 44.680 42.033 2.647 1
1 765 . 15 1 1 A 63 63 LEU N N 63 125.000 128.452 -3.452 1
1 766 . 15 1 1 A 64 64 TYR H H 64 8.669 8.898 -0.229 1
1 767 . 15 1 1 A 64 64 TYR HA H 64 4.758 4.655 0.103 1
1 774 . 15 1 1 A 64 64 TYR C C 64 175.630 176.799 -1.169 1
1 775 . 15 1 1 A 64 64 TYR CA C 64 57.460 58.370 -0.910 1
1 776 . 15 1 1 A 64 64 TYR CB C 64 39.690 38.730 0.960 1
1 781 . 15 1 1 A 64 64 TYR N N 64 120.100 122.969 -2.869 1
1 782 . 15 1 1 A 65 65 PHE H H 65 8.688 8.466 0.222 1
1 783 . 15 1 1 A 65 65 PHE HA H 65 4.777 4.152 0.625 1
1 791 . 15 1 1 A 65 65 PHE C C 65 175.940 175.518 0.422 1
1 792 . 15 1 1 A 65 65 PHE CA C 65 57.325 59.876 -2.551 1
1 793 . 15 1 1 A 65 65 PHE CB C 65 39.340 37.790 1.550 1
1 799 . 15 1 1 A 65 65 PHE N N 65 122.100 119.604 2.496 1
1 800 . 15 1 1 A 66 66 MET H H 66 8.611 7.180 1.431 1
1 801 . 15 1 1 A 66 66 MET HA H 66 4.537 4.443 0.094 1
1 806 . 15 1 1 A 66 66 MET C C 66 176.630 176.445 0.185 1
1 807 . 15 1 1 A 66 66 MET CA C 66 55.370 53.898 1.472 1
1 808 . 15 1 1 A 66 66 MET CB C 66 32.710 33.494 -0.784 1
1 810 . 15 1 1 A 66 66 MET N N 66 121.700 119.026 2.674 1
1 811 . 15 1 1 A 67 67 GLY H H 67 8.213 8.309 -0.096 1
1 812 . 15 1 1 A 67 67 GLY HA2 H 67 3.928 3.944 -0.016 1
1 813 . 15 1 1 A 67 67 GLY HA3 H 67 3.928 3.964 -0.036 1
1 814 . 15 1 1 A 67 67 GLY C C 67 174.800 175.524 -0.724 1
1 815 . 15 1 1 A 67 67 GLY CA C 67 45.359 45.106 0.253 1
1 816 . 15 1 1 A 67 67 GLY N N 67 109.600 113.043 -3.443 1
1 817 . 15 1 1 A 68 68 GLY H H 68 8.353 8.570 -0.217 1
1 818 . 15 1 1 A 68 68 GLY HA2 H 68 4.862 3.950 0.912 1
1 819 . 15 1 1 A 68 68 GLY HA3 H 68 4.861 3.957 0.904 1
1 820 . 15 1 1 A 68 68 GLY C C 68 174.760 175.495 -0.735 1
1 821 . 15 1 1 A 68 68 GLY CA C 68 45.402 45.749 -0.347 1
1 822 . 15 1 1 A 68 68 GLY N N 68 108.600 108.779 -0.179 1
1 823 . 15 1 1 A 69 69 GLY H H 69 8.406 8.589 -0.183 1
1 824 . 15 1 1 A 69 69 GLY HA2 H 69 3.953 4.108 -0.155 1
1 825 . 15 1 1 A 69 69 GLY HA3 H 69 3.953 4.116 -0.163 1
1 826 . 15 1 1 A 69 69 GLY C C 69 174.070 173.952 0.118 1
1 827 . 15 1 1 A 69 69 GLY CA C 69 45.242 45.643 -0.401 1
1 828 . 15 1 1 A 69 69 GLY N N 69 109.100 108.609 0.491 1
1 829 . 15 1 1 A 70 70 LYS H H 70 8.153 7.850 0.303 1
1 830 . 15 1 1 A 70 70 LYS HA H 70 4.255 4.538 -0.283 1
1 839 . 15 1 1 A 70 70 LYS C C 70 176.490 174.823 1.667 1
1 840 . 15 1 1 A 70 70 LYS CA C 70 56.370 55.190 1.180 1
1 841 . 15 1 1 A 70 70 LYS CB C 70 33.130 32.066 1.064 1
1 845 . 15 1 1 A 70 70 LYS N N 70 120.500 122.012 -1.512 1
1 846 . 15 1 1 A 71 71 LEU H H 71 8.253 7.922 0.331 1
1 847 . 15 1 1 A 71 71 LEU HA H 71 4.285 4.814 -0.529 1
1 857 . 15 1 1 A 71 71 LEU C C 71 177.110 176.346 0.764 1
1 858 . 15 1 1 A 71 71 LEU CA C 71 55.120 53.196 1.924 1
1 859 . 15 1 1 A 71 71 LEU CB C 71 42.236 43.907 -1.671 1
1 863 . 15 1 1 A 71 71 LEU N N 71 122.905 127.131 -4.226 1
1 864 . 15 1 1 A 72 72 GLU H H 72 8.343 8.428 -0.085 1
1 865 . 15 1 1 A 72 72 GLU HA H 72 4.238 4.263 -0.025 1
1 870 . 15 1 1 A 72 72 GLU C C 72 176.100 175.519 0.581 1
1 871 . 15 1 1 A 72 72 GLU CA C 72 56.760 56.346 0.414 1
1 872 . 15 1 1 A 72 72 GLU CB C 72 30.619 29.292 1.327 1
1 874 . 15 1 1 A 72 72 GLU N N 72 121.500 121.962 -0.462 1
1 875 . 15 1 1 A 73 73 HIS H H 73 8.404 8.220 0.184 1
1 876 . 15 1 1 A 73 73 HIS HA H 73 4.593 4.791 -0.198 1
1 879 . 15 1 1 A 73 73 HIS C C 73 173.840 175.619 -1.779 1
1 880 . 15 1 1 A 73 73 HIS CA C 73 55.777 55.449 0.328 1
1 881 . 15 1 1 A 73 73 HIS CB C 73 30.080 30.293 -0.213 1
1 882 . 15 1 1 A 73 73 HIS N N 73 119.733 125.863 -6.130 1
1 883 . 15 1 1 A 74 74 HIS H H 74 8.213 9.159 -0.946 1
1 884 . 15 1 1 A 74 74 HIS CA C 74 57.175 59.350 -2.175 1
1 885 . 15 1 1 A 74 74 HIS CB C 74 30.671 30.375 0.296 1
1 9 . 16 1 1 A 2 2 ASN H H 2 9.645 8.926 0.719 1
1 10 . 16 1 1 A 2 2 ASN HA H 2 5.430 5.375 0.055 1
1 15 . 16 1 1 A 2 2 ASN CA C 2 52.761 52.598 0.163 1
1 16 . 16 1 1 A 2 2 ASN CB C 2 40.140 39.429 0.711 1
1 17 . 16 1 1 A 2 2 ASN N N 2 125.300 119.101 6.199 1
1 19 . 16 1 1 A 3 3 LEU H H 3 8.769 9.180 -0.411 1
1 20 . 16 1 1 A 3 3 LEU HA H 3 4.949 4.998 -0.049 1
1 30 . 16 1 1 A 3 3 LEU C C 3 176.320 175.646 0.674 1
1 31 . 16 1 1 A 3 3 LEU CA C 3 54.223 53.326 0.897 1
1 32 . 16 1 1 A 3 3 LEU CB C 3 45.941 44.104 1.837 1
1 36 . 16 1 1 A 3 3 LEU N N 3 121.800 125.357 -3.557 1
1 37 . 16 1 1 A 4 4 THR H H 4 8.329 8.968 -0.639 1
1 38 . 16 1 1 A 4 4 THR HA H 4 4.744 4.550 0.194 1
1 43 . 16 1 1 A 4 4 THR C C 4 173.650 174.031 -0.381 1
1 44 . 16 1 1 A 4 4 THR CA C 4 62.150 62.388 -0.238 1
1 45 . 16 1 1 A 4 4 THR CB C 4 69.430 68.402 1.028 1
1 47 . 16 1 1 A 4 4 THR N N 4 116.200 120.653 -4.453 1
1 48 . 16 1 1 A 5 5 VAL H H 5 8.955 8.716 0.239 1
1 49 . 16 1 1 A 5 5 VAL HA H 5 4.683 4.900 -0.217 1
1 57 . 16 1 1 A 5 5 VAL C C 5 176.470 176.302 0.168 1
1 58 . 16 1 1 A 5 5 VAL CA C 5 60.724 61.554 -0.830 1
1 59 . 16 1 1 A 5 5 VAL CB C 5 33.590 31.388 2.202 1
1 62 . 16 1 1 A 5 5 VAL N N 5 126.000 127.748 -1.748 1
1 63 . 16 1 1 A 6 6 ASN H H 6 9.534 9.566 -0.032 1
1 64 . 16 1 1 A 6 6 ASN HA H 6 4.636 4.471 0.165 1
1 69 . 16 1 1 A 6 6 ASN C C 6 175.900 175.396 0.504 1
1 70 . 16 1 1 A 6 6 ASN CA C 6 54.150 54.568 -0.418 1
1 71 . 16 1 1 A 6 6 ASN CB C 6 36.410 37.089 -0.679 1
1 72 . 16 1 1 A 6 6 ASN N N 6 129.400 127.802 1.598 1
1 74 . 16 1 1 A 7 7 GLY H H 7 8.915 8.374 0.541 1
1 75 . 16 1 1 A 7 7 GLY HA2 H 7 4.170 3.894 0.276 1
1 76 . 16 1 1 A 7 7 GLY HA3 H 7 3.485 3.895 -0.410 1
1 77 . 16 1 1 A 7 7 GLY C C 7 173.950 173.623 0.327 1
1 78 . 16 1 1 A 7 7 GLY CA C 7 45.337 45.278 0.059 1
1 79 . 16 1 1 A 7 7 GLY N N 7 102.200 104.761 -2.561 1
1 80 . 16 1 1 A 8 8 LYS H H 8 7.900 7.928 -0.028 1
1 81 . 16 1 1 A 8 8 LYS HA H 8 4.987 4.574 0.413 1
1 90 . 16 1 1 A 8 8 LYS CA C 8 52.940 52.832 0.108 1
1 91 . 16 1 1 A 8 8 LYS CB C 8 34.010 33.148 0.862 1
1 95 . 16 1 1 A 8 8 LYS N N 8 121.700 121.147 0.553 1
1 96 . 16 1 1 A 9 9 PRO HA H 9 4.700 4.468 0.232 1
1 103 . 16 1 1 A 9 9 PRO C C 9 176.900 175.766 1.134 1
1 104 . 16 1 1 A 9 9 PRO CA C 9 63.990 63.071 0.919 1
1 105 . 16 1 1 A 9 9 PRO CB C 9 32.000 31.810 0.190 1
1 108 . 16 1 1 A 10 10 SER H H 10 8.970 8.923 0.047 1
1 109 . 16 1 1 A 10 10 SER HA H 10 4.822 5.165 -0.343 1
1 112 . 16 1 1 A 10 10 SER C C 10 172.800 173.284 -0.484 1
1 113 . 16 1 1 A 10 10 SER CA C 10 57.880 56.395 1.485 1
1 114 . 16 1 1 A 10 10 SER CB C 10 66.361 66.538 -0.177 1
1 115 . 16 1 1 A 10 10 SER N N 10 120.300 117.914 2.386 1
1 116 . 16 1 1 A 11 11 THR H H 11 8.590 8.815 -0.225 1
1 117 . 16 1 1 A 11 11 THR HA H 11 5.163 4.942 0.221 1
1 122 . 16 1 1 A 11 11 THR C C 11 173.720 173.282 0.438 1
1 123 . 16 1 1 A 11 11 THR CA C 11 61.380 61.671 -0.291 1
1 124 . 16 1 1 A 11 11 THR CB C 11 71.950 70.534 1.416 1
1 126 . 16 1 1 A 11 11 THR N N 11 120.191 119.015 1.176 1
1 127 . 16 1 1 A 12 12 VAL H H 12 8.563 8.899 -0.336 1
1 128 . 16 1 1 A 12 12 VAL HA H 12 4.172 4.729 -0.557 1
1 136 . 16 1 1 A 12 12 VAL C C 12 175.380 174.080 1.300 1
1 137 . 16 1 1 A 12 12 VAL CA C 12 61.350 60.997 0.353 1
1 138 . 16 1 1 A 12 12 VAL CB C 12 33.053 32.836 0.217 1
1 141 . 16 1 1 A 12 12 VAL N N 12 125.000 122.968 2.032 1
1 142 . 16 1 1 A 13 13 ASP H H 13 8.878 8.787 0.091 1
1 143 . 16 1 1 A 13 13 ASP HA H 13 4.501 4.374 0.127 1
1 146 . 16 1 1 A 13 13 ASP C C 13 177.180 177.136 0.044 1
1 147 . 16 1 1 A 13 13 ASP CA C 13 55.120 55.471 -0.351 1
1 148 . 16 1 1 A 13 13 ASP CB C 13 41.450 40.711 0.739 1
1 149 . 16 1 1 A 13 13 ASP N N 13 128.300 128.271 0.029 1
1 150 . 16 1 1 A 14 14 GLY H H 14 8.697 8.884 -0.187 1
1 151 . 16 1 1 A 14 14 GLY HA2 H 14 4.076 3.921 0.155 1
1 152 . 16 1 1 A 14 14 GLY HA3 H 14 3.719 3.923 -0.204 1
1 153 . 16 1 1 A 14 14 GLY C C 14 173.244 174.025 -0.781 1
1 154 . 16 1 1 A 14 14 GLY CA C 14 45.887 45.455 0.432 1
1 155 . 16 1 1 A 14 14 GLY N N 14 109.900 114.104 -4.204 1
1 156 . 16 1 1 A 15 15 ALA H H 15 7.360 7.898 -0.538 1
1 157 . 16 1 1 A 15 15 ALA HA H 15 4.601 4.411 0.190 1
1 161 . 16 1 1 A 15 15 ALA C C 15 176.240 175.606 0.634 1
1 162 . 16 1 1 A 15 15 ALA CA C 15 51.370 51.063 0.307 1
1 163 . 16 1 1 A 15 15 ALA CB C 15 20.970 19.699 1.271 1
1 164 . 16 1 1 A 15 15 ALA N N 15 121.213 123.422 -2.209 1
1 165 . 16 1 1 A 16 16 GLU H H 16 8.967 8.875 0.092 1
1 166 . 16 1 1 A 16 16 GLU HA H 16 4.406 4.646 -0.240 1
1 171 . 16 1 1 A 16 16 GLU C C 16 175.800 175.435 0.365 1
1 172 . 16 1 1 A 16 16 GLU CA C 16 57.170 54.528 2.642 1
1 173 . 16 1 1 A 16 16 GLU CB C 16 30.700 30.549 0.151 1
1 175 . 16 1 1 A 16 16 GLU N N 16 120.800 124.858 -4.058 1
1 176 . 16 1 1 A 17 17 SER H H 17 7.587 8.532 -0.945 1
1 177 . 16 1 1 A 17 17 SER HA H 17 4.891 4.180 0.711 1
1 180 . 16 1 1 A 17 17 SER C C 17 172.400 173.642 -1.242 1
1 181 . 16 1 1 A 17 17 SER CA C 17 57.797 58.762 -0.965 1
1 182 . 16 1 1 A 17 17 SER CB C 17 64.571 62.059 2.512 1
1 183 . 16 1 1 A 17 17 SER N N 17 111.600 119.651 -8.051 1
1 184 . 16 1 1 A 18 18 LEU H H 18 8.285 7.695 0.590 1
1 185 . 16 1 1 A 18 18 LEU HA H 18 4.810 5.123 -0.313 1
1 195 . 16 1 1 A 18 18 LEU C C 18 175.800 176.077 -0.277 1
1 196 . 16 1 1 A 18 18 LEU CA C 18 54.230 52.623 1.607 1
1 197 . 16 1 1 A 18 18 LEU CB C 18 47.430 45.923 1.507 1
1 201 . 16 1 1 A 18 18 LEU N N 18 122.165 120.189 1.976 1
1 202 . 16 1 1 A 19 19 ASN H H 19 8.920 8.818 0.102 1
1 203 . 16 1 1 A 19 19 ASN HA H 19 5.768 5.094 0.674 1
1 208 . 16 1 1 A 19 19 ASN C C 19 176.170 177.029 -0.859 1
1 209 . 16 1 1 A 19 19 ASN CA C 19 51.650 53.399 -1.749 1
1 210 . 16 1 1 A 19 19 ASN CB C 19 38.430 39.670 -1.240 1
1 211 . 16 1 1 A 19 19 ASN N N 19 118.700 118.639 0.061 1
1 213 . 16 1 1 A 20 20 VAL H H 20 7.805 8.688 -0.883 1
1 214 . 16 1 1 A 20 20 VAL HA H 20 3.297 3.584 -0.287 1
1 222 . 16 1 1 A 20 20 VAL C C 20 176.770 177.149 -0.379 1
1 223 . 16 1 1 A 20 20 VAL CA C 20 67.360 66.106 1.254 1
1 224 . 16 1 1 A 20 20 VAL CB C 20 30.940 31.424 -0.484 1
1 227 . 16 1 1 A 20 20 VAL N N 20 117.900 122.731 -4.831 1
1 228 . 16 1 1 A 21 21 THR H H 21 7.230 7.982 -0.752 1
1 229 . 16 1 1 A 21 21 THR HA H 21 3.665 3.760 -0.095 1
1 234 . 16 1 1 A 21 21 THR C C 21 177.360 176.011 1.349 1
1 235 . 16 1 1 A 21 21 THR CA C 21 67.077 66.964 0.113 1
1 236 . 16 1 1 A 21 21 THR CB C 21 68.460 68.888 -0.428 1
1 238 . 16 1 1 A 21 21 THR N N 21 117.400 117.079 0.321 1
1 239 . 16 1 1 A 22 22 GLU H H 22 8.750 8.235 0.515 1
1 240 . 16 1 1 A 22 22 GLU HA H 22 4.046 3.945 0.101 1
1 245 . 16 1 1 A 22 22 GLU C C 22 179.910 178.985 0.925 1
1 246 . 16 1 1 A 22 22 GLU CA C 22 58.550 59.242 -0.692 1
1 247 . 16 1 1 A 22 22 GLU CB C 22 30.550 29.352 1.198 1
1 249 . 16 1 1 A 22 22 GLU N N 22 121.238 119.287 1.951 1
1 250 . 16 1 1 A 23 23 LEU H H 23 8.766 8.292 0.474 1
1 251 . 16 1 1 A 23 23 LEU HA H 23 3.935 4.011 -0.076 1
1 261 . 16 1 1 A 23 23 LEU C C 23 177.800 178.392 -0.592 1
1 262 . 16 1 1 A 23 23 LEU CA C 23 58.240 58.146 0.094 1
1 263 . 16 1 1 A 23 23 LEU CB C 23 41.844 41.366 0.478 1
1 267 . 16 1 1 A 23 23 LEU N N 23 123.900 122.306 1.594 1
1 268 . 16 1 1 A 24 24 LEU H H 24 8.305 8.155 0.150 1
1 269 . 16 1 1 A 24 24 LEU HA H 24 3.690 3.855 -0.165 1
1 279 . 16 1 1 A 24 24 LEU C C 24 179.620 179.301 0.319 1
1 280 . 16 1 1 A 24 24 LEU CA C 24 58.010 57.727 0.283 1
1 281 . 16 1 1 A 24 24 LEU CB C 24 41.320 41.366 -0.046 1
1 285 . 16 1 1 A 24 24 LEU N N 24 117.100 118.818 -1.718 1
1 286 . 16 1 1 A 25 25 SER H H 25 7.226 7.567 -0.341 1
1 287 . 16 1 1 A 25 25 SER HA H 25 4.304 4.174 0.130 1
1 290 . 16 1 1 A 25 25 SER C C 25 178.100 177.175 0.925 1
1 291 . 16 1 1 A 25 25 SER CA C 25 60.900 61.221 -0.321 1
1 292 . 16 1 1 A 25 25 SER CB C 25 62.850 62.954 -0.104 1
1 293 . 16 1 1 A 25 25 SER N N 25 111.500 114.802 -3.302 1
1 294 . 16 1 1 A 26 26 ALA H H 26 8.712 8.057 0.655 1
1 295 . 16 1 1 A 26 26 ALA HA H 26 4.138 4.076 0.062 1
1 299 . 16 1 1 A 26 26 ALA C C 26 180.000 179.363 0.637 1
1 300 . 16 1 1 A 26 26 ALA CA C 26 55.180 54.768 0.412 1
1 301 . 16 1 1 A 26 26 ALA CB C 26 18.200 18.361 -0.161 1
1 302 . 16 1 1 A 26 26 ALA N N 26 126.100 123.221 2.879 1
1 303 . 16 1 1 A 27 27 LEU H H 27 8.050 8.083 -0.033 1
1 304 . 16 1 1 A 27 27 LEU HA H 27 4.314 4.086 0.228 1
1 314 . 16 1 1 A 27 27 LEU C C 27 175.810 176.326 -0.516 1
1 315 . 16 1 1 A 27 27 LEU CA C 27 54.307 57.020 -2.713 1
1 316 . 16 1 1 A 27 27 LEU CB C 27 42.021 42.602 -0.581 1
1 320 . 16 1 1 A 27 27 LEU N N 27 114.250 118.897 -4.647 1
1 321 . 16 1 1 A 28 28 LYS H H 28 7.766 7.741 0.025 1
1 322 . 16 1 1 A 28 28 LYS HA H 28 3.869 4.142 -0.273 1
1 331 . 16 1 1 A 28 28 LYS C C 28 176.030 174.802 1.228 1
1 332 . 16 1 1 A 28 28 LYS CA C 28 56.630 56.609 0.021 1
1 333 . 16 1 1 A 28 28 LYS CB C 28 28.893 30.927 -2.034 1
1 337 . 16 1 1 A 28 28 LYS N N 28 117.700 117.567 0.133 1
1 338 . 16 1 1 A 29 29 VAL H H 29 7.583 7.454 0.129 1
1 339 . 16 1 1 A 29 29 VAL HA H 29 3.520 4.967 -1.447 1
1 347 . 16 1 1 A 29 29 VAL C C 29 176.410 174.107 2.303 1
1 348 . 16 1 1 A 29 29 VAL CA C 29 63.741 59.627 4.114 1
1 349 . 16 1 1 A 29 29 VAL CB C 29 31.840 35.810 -3.970 1
1 352 . 16 1 1 A 29 29 VAL N N 29 119.200 120.278 -1.078 1
1 353 . 16 1 1 A 30 30 ALA H H 30 8.543 8.613 -0.070 1
1 354 . 16 1 1 A 30 30 ALA HA H 30 4.215 4.538 -0.323 1
1 358 . 16 1 1 A 30 30 ALA C C 30 177.710 177.489 0.221 1
1 359 . 16 1 1 A 30 30 ALA CA C 30 52.330 51.952 0.378 1
1 360 . 16 1 1 A 30 30 ALA CB C 30 19.170 20.324 -1.154 1
1 361 . 16 1 1 A 30 30 ALA N N 30 131.100 128.735 2.365 1
1 362 . 16 1 1 A 31 31 GLN H H 31 8.982 8.910 0.072 1
1 363 . 16 1 1 A 31 31 GLN HA H 31 4.162 4.168 -0.006 1
1 370 . 16 1 1 A 31 31 GLN C C 31 176.670 176.702 -0.032 1
1 371 . 16 1 1 A 31 31 GLN CA C 31 56.100 56.840 -0.740 1
1 372 . 16 1 1 A 31 31 GLN CB C 31 27.390 26.431 0.959 1
1 374 . 16 1 1 A 31 31 GLN N N 31 117.300 114.556 2.744 1
1 376 . 16 1 1 A 32 32 ALA H H 32 8.029 7.912 0.117 1
1 377 . 16 1 1 A 32 32 ALA HA H 32 3.738 3.990 -0.252 1
1 381 . 16 1 1 A 32 32 ALA C C 32 178.700 179.468 -0.768 1
1 382 . 16 1 1 A 32 32 ALA CA C 32 55.010 54.999 0.011 1
1 383 . 16 1 1 A 32 32 ALA CB C 32 18.647 18.150 0.497 1
1 384 . 16 1 1 A 32 32 ALA N N 32 119.900 120.450 -0.550 1
1 385 . 16 1 1 A 33 33 GLU H H 33 9.338 7.917 1.421 1
1 386 . 16 1 1 A 33 33 GLU HA H 33 4.037 3.968 0.069 1
1 391 . 16 1 1 A 33 33 GLU C C 33 176.370 176.686 -0.316 1
1 392 . 16 1 1 A 33 33 GLU CA C 33 58.280 58.255 0.025 1
1 393 . 16 1 1 A 33 33 GLU CB C 33 28.670 29.012 -0.342 1
1 395 . 16 1 1 A 33 33 GLU N N 33 116.800 117.865 -1.065 1
1 396 . 16 1 1 A 34 34 TYR H H 34 8.063 8.143 -0.080 1
1 397 . 16 1 1 A 34 34 TYR HA H 34 4.820 4.859 -0.039 1
1 404 . 16 1 1 A 34 34 TYR C C 34 175.460 175.397 0.063 1
1 405 . 16 1 1 A 34 34 TYR CA C 34 56.800 57.959 -1.159 1
1 406 . 16 1 1 A 34 34 TYR CB C 34 39.810 39.724 0.086 1
1 411 . 16 1 1 A 34 34 TYR N N 34 116.100 115.941 0.159 1
1 412 . 16 1 1 A 35 35 VAL H H 35 7.330 7.392 -0.062 1
1 413 . 16 1 1 A 35 35 VAL HA H 35 4.689 3.143 1.546 1
1 421 . 16 1 1 A 35 35 VAL C C 35 173.700 175.010 -1.310 1
1 422 . 16 1 1 A 35 35 VAL CA C 35 61.550 61.976 -0.426 1
1 423 . 16 1 1 A 35 35 VAL CB C 35 33.650 32.308 1.342 1
1 426 . 16 1 1 A 35 35 VAL N N 35 121.200 121.490 -0.290 1
1 427 . 16 1 1 A 36 36 THR H H 36 8.879 8.402 0.477 1
1 428 . 16 1 1 A 36 36 THR HA H 36 4.696 4.885 -0.189 1
1 433 . 16 1 1 A 36 36 THR C C 36 172.930 174.088 -1.158 1
1 434 . 16 1 1 A 36 36 THR CA C 36 62.300 62.039 0.261 1
1 435 . 16 1 1 A 36 36 THR CB C 36 70.500 68.970 1.530 1
1 437 . 16 1 1 A 36 36 THR N N 36 126.800 123.852 2.948 1
1 438 . 16 1 1 A 37 37 VAL H H 37 9.616 9.031 0.585 1
1 439 . 16 1 1 A 37 37 VAL HA H 37 5.072 5.340 -0.268 1
1 447 . 16 1 1 A 37 37 VAL C C 37 174.820 174.221 0.599 1
1 448 . 16 1 1 A 37 37 VAL CA C 37 59.440 58.754 0.686 1
1 449 . 16 1 1 A 37 37 VAL CB C 37 35.270 36.241 -0.971 1
1 452 . 16 1 1 A 37 37 VAL N N 37 127.600 119.600 8.000 1
1 453 . 16 1 1 A 38 38 GLU H H 38 8.934 9.092 -0.158 1
1 454 . 16 1 1 A 38 38 GLU HA H 38 5.059 5.206 -0.147 1
1 459 . 16 1 1 A 38 38 GLU C C 38 174.850 174.566 0.284 1
1 460 . 16 1 1 A 38 38 GLU CA C 38 53.989 54.592 -0.603 1
1 461 . 16 1 1 A 38 38 GLU CB C 38 32.599 33.984 -1.385 1
1 463 . 16 1 1 A 38 38 GLU N N 38 126.700 120.584 6.116 1
1 464 . 16 1 1 A 39 39 LEU H H 39 9.004 8.337 0.667 1
1 465 . 16 1 1 A 39 39 LEU HA H 39 5.082 5.253 -0.171 1
1 474 . 16 1 1 A 39 39 LEU C C 39 175.890 175.793 0.097 1
1 475 . 16 1 1 A 39 39 LEU CA C 39 53.030 53.266 -0.236 1
1 476 . 16 1 1 A 39 39 LEU CB C 39 45.640 45.056 0.584 1
1 479 . 16 1 1 A 39 39 LEU N N 39 128.700 118.662 10.038 1
1 480 . 16 1 1 A 40 40 ASN H H 40 10.210 9.614 0.596 1
1 481 . 16 1 1 A 40 40 ASN HA H 40 4.495 4.466 0.029 1
1 486 . 16 1 1 A 40 40 ASN C C 40 175.620 175.442 0.178 1
1 487 . 16 1 1 A 40 40 ASN CA C 40 54.540 54.436 0.104 1
1 488 . 16 1 1 A 40 40 ASN CB C 40 37.280 37.043 0.237 1
1 489 . 16 1 1 A 40 40 ASN N N 40 128.749 118.682 10.067 1
1 491 . 16 1 1 A 41 41 GLY H H 41 8.913 8.593 0.320 1
1 492 . 16 1 1 A 41 41 GLY HA2 H 41 4.162 3.863 0.299 1
1 493 . 16 1 1 A 41 41 GLY HA3 H 41 3.625 3.869 -0.244 1
1 494 . 16 1 1 A 41 41 GLY C C 41 173.380 173.657 -0.277 1
1 495 . 16 1 1 A 41 41 GLY CA C 41 45.220 45.510 -0.290 1
1 496 . 16 1 1 A 41 41 GLY N N 41 102.811 105.144 -2.333 1
1 497 . 16 1 1 A 42 42 GLU H H 42 7.716 7.885 -0.169 1
1 498 . 16 1 1 A 42 42 GLU HA H 42 4.655 4.732 -0.077 1
1 503 . 16 1 1 A 42 42 GLU C C 42 175.300 175.419 -0.119 1
1 504 . 16 1 1 A 42 42 GLU CA C 42 54.190 54.890 -0.700 1
1 505 . 16 1 1 A 42 42 GLU CB C 42 31.770 32.314 -0.544 1
1 507 . 16 1 1 A 42 42 GLU N N 42 120.731 120.297 0.434 1
1 508 . 16 1 1 A 43 43 VAL H H 43 8.872 8.751 0.121 1
1 509 . 16 1 1 A 43 43 VAL HA H 43 4.025 4.525 -0.500 1
1 517 . 16 1 1 A 43 43 VAL C C 43 176.260 174.537 1.723 1
1 518 . 16 1 1 A 43 43 VAL CA C 43 64.110 62.200 1.910 1
1 519 . 16 1 1 A 43 43 VAL CB C 43 31.500 33.107 -1.607 1
1 522 . 16 1 1 A 43 43 VAL N N 43 126.800 127.091 -0.291 1
1 523 . 16 1 1 A 44 44 LEU H H 44 8.810 9.145 -0.335 1
1 524 . 16 1 1 A 44 44 LEU HA H 44 4.656 4.959 -0.303 1
1 534 . 16 1 1 A 44 44 LEU C C 44 177.620 176.584 1.036 1
1 535 . 16 1 1 A 44 44 LEU CA C 44 53.750 53.100 0.650 1
1 536 . 16 1 1 A 44 44 LEU CB C 44 44.080 44.722 -0.642 1
1 540 . 16 1 1 A 44 44 LEU N N 44 129.200 130.006 -0.806 1
1 541 . 16 1 1 A 45 45 GLU H H 45 8.742 8.600 0.142 1
1 542 . 16 1 1 A 45 45 GLU HA H 45 4.465 4.152 0.313 1
1 547 . 16 1 1 A 45 45 GLU C C 45 177.440 177.665 -0.225 1
1 548 . 16 1 1 A 45 45 GLU CA C 45 55.270 56.138 -0.868 1
1 549 . 16 1 1 A 45 45 GLU CB C 45 29.830 30.685 -0.855 1
1 551 . 16 1 1 A 45 45 GLU N N 45 122.500 120.741 1.759 1
1 552 . 16 1 1 A 46 46 ARG H H 46 8.674 8.512 0.162 1
1 553 . 16 1 1 A 46 46 ARG HA H 46 2.384 3.156 -0.772 1
1 560 . 16 1 1 A 46 46 ARG C C 46 179.080 177.792 1.288 1
1 561 . 16 1 1 A 46 46 ARG CA C 46 58.150 59.623 -1.473 1
1 562 . 16 1 1 A 46 46 ARG CB C 46 29.050 29.758 -0.708 1
1 565 . 16 1 1 A 46 46 ARG N N 46 124.600 122.597 2.003 1
1 566 . 16 1 1 A 47 47 GLU H H 47 9.010 8.198 0.812 1
1 567 . 16 1 1 A 47 47 GLU HA H 47 4.008 4.051 -0.043 1
1 572 . 16 1 1 A 47 47 GLU C C 47 176.700 178.668 -1.968 1
1 573 . 16 1 1 A 47 47 GLU CA C 47 58.720 59.389 -0.669 1
1 574 . 16 1 1 A 47 47 GLU CB C 47 28.590 28.983 -0.393 1
1 576 . 16 1 1 A 47 47 GLU N N 47 117.300 118.447 -1.147 1
1 577 . 16 1 1 A 48 48 ALA H H 48 8.011 7.833 0.178 1
1 578 . 16 1 1 A 48 48 ALA HA H 48 4.749 4.113 0.636 1
1 582 . 16 1 1 A 48 48 ALA C C 48 180.070 179.556 0.514 1
1 583 . 16 1 1 A 48 48 ALA CA C 48 51.780 54.763 -2.983 1
1 584 . 16 1 1 A 48 48 ALA CB C 48 19.390 18.139 1.251 1
1 585 . 16 1 1 A 48 48 ALA N N 48 120.200 122.245 -2.045 1
1 586 . 16 1 1 A 49 49 PHE H H 49 8.002 7.496 0.506 1
1 587 . 16 1 1 A 49 49 PHE HA H 49 4.305 4.342 -0.037 1
1 594 . 16 1 1 A 49 49 PHE C C 49 177.710 177.809 -0.099 1
1 595 . 16 1 1 A 49 49 PHE CA C 49 59.969 61.502 -1.533 1
1 596 . 16 1 1 A 49 49 PHE CB C 49 36.820 38.522 -1.702 1
1 601 . 16 1 1 A 49 49 PHE N N 49 123.801 115.974 7.827 1
1 602 . 16 1 1 A 50 50 ASP H H 50 8.558 8.181 0.377 1
1 603 . 16 1 1 A 50 50 ASP HA H 50 4.561 4.414 0.147 1
1 606 . 16 1 1 A 50 50 ASP C C 50 176.610 178.420 -1.810 1
1 607 . 16 1 1 A 50 50 ASP CA C 50 56.100 57.198 -1.098 1
1 608 . 16 1 1 A 50 50 ASP CB C 50 40.350 40.607 -0.257 1
1 609 . 16 1 1 A 50 50 ASP N N 50 115.500 120.238 -4.738 1
1 610 . 16 1 1 A 51 51 ALA H H 51 7.539 7.713 -0.174 1
1 611 . 16 1 1 A 51 51 ALA HA H 51 4.498 4.149 0.349 1
1 615 . 16 1 1 A 51 51 ALA C C 51 177.370 177.356 0.014 1
1 616 . 16 1 1 A 51 51 ALA CA C 51 51.850 54.172 -2.322 1
1 617 . 16 1 1 A 51 51 ALA CB C 51 20.280 18.472 1.808 1
1 618 . 16 1 1 A 51 51 ALA N N 51 119.500 120.537 -1.037 1
1 619 . 16 1 1 A 52 52 THR H H 52 7.503 7.840 -0.337 1
1 620 . 16 1 1 A 52 52 THR HA H 52 4.376 4.673 -0.297 1
1 625 . 16 1 1 A 52 52 THR C C 52 172.780 173.845 -1.065 1
1 626 . 16 1 1 A 52 52 THR CA C 52 63.450 61.773 1.677 1
1 627 . 16 1 1 A 52 52 THR CB C 52 69.910 69.804 0.106 1
1 629 . 16 1 1 A 52 52 THR N N 52 117.700 112.628 5.072 1
1 630 . 16 1 1 A 53 53 THR H H 53 8.354 8.956 -0.602 1
1 631 . 16 1 1 A 53 53 THR HA H 53 4.521 4.900 -0.379 1
1 636 . 16 1 1 A 53 53 THR C C 53 173.000 174.262 -1.262 1
1 637 . 16 1 1 A 53 53 THR CA C 53 62.110 62.229 -0.119 1
1 638 . 16 1 1 A 53 53 THR CB C 53 70.380 69.267 1.113 1
1 640 . 16 1 1 A 53 53 THR N N 53 120.700 122.908 -2.208 1
1 641 . 16 1 1 A 54 54 VAL H H 54 9.223 8.850 0.373 1
1 642 . 16 1 1 A 54 54 VAL HA H 54 4.256 4.159 0.097 1
1 650 . 16 1 1 A 54 54 VAL C C 54 173.500 175.773 -2.273 1
1 651 . 16 1 1 A 54 54 VAL CA C 54 61.330 62.900 -1.570 1
1 652 . 16 1 1 A 54 54 VAL CB C 54 33.090 32.127 0.963 1
1 655 . 16 1 1 A 54 54 VAL N N 54 126.200 127.334 -1.134 1
1 656 . 16 1 1 A 55 55 LYS H H 55 9.074 9.012 0.062 1
1 657 . 16 1 1 A 55 55 LYS HA H 55 4.847 4.864 -0.017 1
1 666 . 16 1 1 A 55 55 LYS C C 55 174.610 175.970 -1.360 1
1 667 . 16 1 1 A 55 55 LYS CA C 55 54.265 54.228 0.037 1
1 668 . 16 1 1 A 55 55 LYS CB C 55 36.111 35.866 0.245 1
1 672 . 16 1 1 A 55 55 LYS N N 55 124.700 125.991 -1.291 1
1 673 . 16 1 1 A 56 56 ASP H H 56 8.111 8.766 -0.655 1
1 674 . 16 1 1 A 56 56 ASP HA H 56 4.553 4.748 -0.195 1
1 677 . 16 1 1 A 56 56 ASP C C 56 177.720 176.302 1.418 1
1 678 . 16 1 1 A 56 56 ASP CA C 56 56.040 53.120 2.920 1
1 679 . 16 1 1 A 56 56 ASP CB C 56 43.070 39.498 3.572 1
1 680 . 16 1 1 A 56 56 ASP N N 56 116.700 122.209 -5.509 1
1 681 . 16 1 1 A 57 57 GLY H H 57 9.330 7.523 1.807 1
1 682 . 16 1 1 A 57 57 GLY HA2 H 57 4.343 4.123 0.220 1
1 683 . 16 1 1 A 57 57 GLY HA3 H 57 3.652 4.124 -0.472 1
1 684 . 16 1 1 A 57 57 GLY C C 57 175.140 172.932 2.208 1
1 685 . 16 1 1 A 57 57 GLY CA C 57 44.869 45.637 -0.768 1
1 686 . 16 1 1 A 57 57 GLY N N 57 113.900 106.551 7.349 1
1 687 . 16 1 1 A 58 58 ASP H H 58 8.104 8.229 -0.125 1
1 688 . 16 1 1 A 58 58 ASP HA H 58 4.808 4.985 -0.177 1
1 691 . 16 1 1 A 58 58 ASP C C 58 174.100 175.172 -1.072 1
1 692 . 16 1 1 A 58 58 ASP CA C 58 55.700 53.066 2.634 1
1 693 . 16 1 1 A 58 58 ASP CB C 58 42.080 43.743 -1.663 1
1 694 . 16 1 1 A 58 58 ASP N N 58 122.600 120.056 2.544 1
1 695 . 16 1 1 A 59 59 ALA H H 59 8.326 9.007 -0.681 1
1 696 . 16 1 1 A 59 59 ALA HA H 59 5.208 4.433 0.775 1
1 700 . 16 1 1 A 59 59 ALA C C 59 174.350 176.315 -1.965 1
1 701 . 16 1 1 A 59 59 ALA CA C 59 50.110 51.954 -1.844 1
1 702 . 16 1 1 A 59 59 ALA CB C 59 20.760 17.807 2.953 1
1 703 . 16 1 1 A 59 59 ALA N N 59 121.100 128.518 -7.418 1
1 704 . 16 1 1 A 60 60 VAL H H 60 9.061 8.630 0.431 1
1 705 . 16 1 1 A 60 60 VAL HA H 60 4.117 4.764 -0.647 1
1 713 . 16 1 1 A 60 60 VAL C C 60 174.300 174.304 -0.004 1
1 714 . 16 1 1 A 60 60 VAL CA C 60 61.830 61.720 0.110 1
1 715 . 16 1 1 A 60 60 VAL CB C 60 33.640 32.620 1.020 1
1 718 . 16 1 1 A 60 60 VAL N N 60 121.800 124.129 -2.329 1
1 719 . 16 1 1 A 61 61 GLU H H 61 9.027 9.166 -0.139 1
1 720 . 16 1 1 A 61 61 GLU HA H 61 4.778 4.751 0.027 1
1 725 . 16 1 1 A 61 61 GLU C C 61 176.200 175.083 1.117 1
1 726 . 16 1 1 A 61 61 GLU CA C 61 54.152 56.014 -1.862 1
1 727 . 16 1 1 A 61 61 GLU CB C 61 32.477 30.118 2.359 1
1 729 . 16 1 1 A 61 61 GLU N N 61 123.900 128.915 -5.015 1
1 730 . 16 1 1 A 62 62 PHE H H 62 9.075 9.089 -0.014 1
1 731 . 16 1 1 A 62 62 PHE HA H 62 5.317 5.168 0.149 1
1 739 . 16 1 1 A 62 62 PHE C C 62 174.490 174.350 0.140 1
1 740 . 16 1 1 A 62 62 PHE CA C 62 54.910 56.160 -1.250 1
1 741 . 16 1 1 A 62 62 PHE CB C 62 39.640 41.149 -1.509 1
1 747 . 16 1 1 A 62 62 PHE N N 62 122.000 126.788 -4.788 1
1 748 . 16 1 1 A 63 63 LEU H H 63 8.996 8.343 0.653 1
1 749 . 16 1 1 A 63 63 LEU HA H 63 4.643 4.694 -0.051 1
1 759 . 16 1 1 A 63 63 LEU C C 63 175.030 175.229 -0.199 1
1 760 . 16 1 1 A 63 63 LEU CA C 63 53.630 52.831 0.799 1
1 761 . 16 1 1 A 63 63 LEU CB C 63 44.680 45.353 -0.673 1
1 765 . 16 1 1 A 63 63 LEU N N 63 125.000 123.112 1.888 1
1 766 . 16 1 1 A 64 64 TYR H H 64 8.669 8.139 0.530 1
1 767 . 16 1 1 A 64 64 TYR HA H 64 4.758 3.987 0.771 1
1 774 . 16 1 1 A 64 64 TYR C C 64 175.630 175.465 0.165 1
1 775 . 16 1 1 A 64 64 TYR CA C 64 57.460 59.464 -2.004 1
1 776 . 16 1 1 A 64 64 TYR CB C 64 39.690 35.864 3.826 1
1 781 . 16 1 1 A 64 64 TYR N N 64 120.100 116.685 3.415 1
1 782 . 16 1 1 A 65 65 PHE H H 65 8.688 7.942 0.746 1
1 783 . 16 1 1 A 65 65 PHE HA H 65 4.777 4.845 -0.068 1
1 791 . 16 1 1 A 65 65 PHE C C 65 175.940 175.668 0.272 1
1 792 . 16 1 1 A 65 65 PHE CA C 65 57.325 57.349 -0.024 1
1 793 . 16 1 1 A 65 65 PHE CB C 65 39.340 39.230 0.110 1
1 799 . 16 1 1 A 65 65 PHE N N 65 122.100 118.737 3.363 1
1 800 . 16 1 1 A 66 66 MET H H 66 8.611 7.733 0.878 1
1 801 . 16 1 1 A 66 66 MET HA H 66 4.537 4.540 -0.003 1
1 806 . 16 1 1 A 66 66 MET C C 66 176.630 176.802 -0.172 1
1 807 . 16 1 1 A 66 66 MET CA C 66 55.370 57.178 -1.808 1
1 808 . 16 1 1 A 66 66 MET CB C 66 32.710 32.915 -0.205 1
1 810 . 16 1 1 A 66 66 MET N N 66 121.700 118.892 2.808 1
1 811 . 16 1 1 A 67 67 GLY H H 67 8.213 8.708 -0.495 1
1 812 . 16 1 1 A 67 67 GLY HA2 H 67 3.928 4.371 -0.443 1
1 813 . 16 1 1 A 67 67 GLY HA3 H 67 3.928 4.391 -0.463 1
1 814 . 16 1 1 A 67 67 GLY C C 67 174.800 175.124 -0.324 1
1 815 . 16 1 1 A 67 67 GLY CA C 67 45.359 45.582 -0.223 1
1 816 . 16 1 1 A 67 67 GLY N N 67 109.600 113.284 -3.684 1
1 817 . 16 1 1 A 68 68 GLY H H 68 8.353 8.068 0.285 1
1 818 . 16 1 1 A 68 68 GLY HA2 H 68 4.862 3.990 0.872 1
1 819 . 16 1 1 A 68 68 GLY HA3 H 68 4.861 3.995 0.866 1
1 820 . 16 1 1 A 68 68 GLY C C 68 174.760 174.985 -0.225 1
1 821 . 16 1 1 A 68 68 GLY CA C 68 45.402 46.083 -0.681 1
1 822 . 16 1 1 A 68 68 GLY N N 68 108.600 106.981 1.619 1
1 823 . 16 1 1 A 69 69 GLY H H 69 8.406 8.619 -0.213 1
1 824 . 16 1 1 A 69 69 GLY HA2 H 69 3.953 3.902 0.051 1
1 825 . 16 1 1 A 69 69 GLY HA3 H 69 3.953 3.904 0.049 1
1 826 . 16 1 1 A 69 69 GLY C C 69 174.070 174.205 -0.135 1
1 827 . 16 1 1 A 69 69 GLY CA C 69 45.242 46.363 -1.121 1
1 828 . 16 1 1 A 69 69 GLY N N 69 109.100 108.494 0.606 1
1 829 . 16 1 1 A 70 70 LYS H H 70 8.153 7.808 0.345 1
1 830 . 16 1 1 A 70 70 LYS HA H 70 4.255 4.578 -0.323 1
1 839 . 16 1 1 A 70 70 LYS C C 70 176.490 176.525 -0.035 1
1 840 . 16 1 1 A 70 70 LYS CA C 70 56.370 54.691 1.679 1
1 841 . 16 1 1 A 70 70 LYS CB C 70 33.130 34.866 -1.736 1
1 845 . 16 1 1 A 70 70 LYS N N 70 120.500 119.310 1.190 1
1 846 . 16 1 1 A 71 71 LEU H H 71 8.253 8.828 -0.575 1
1 847 . 16 1 1 A 71 71 LEU HA H 71 4.285 4.790 -0.505 1
1 857 . 16 1 1 A 71 71 LEU C C 71 177.110 175.504 1.606 1
1 858 . 16 1 1 A 71 71 LEU CA C 71 55.120 53.051 2.069 1
1 859 . 16 1 1 A 71 71 LEU CB C 71 42.236 43.745 -1.509 1
1 863 . 16 1 1 A 71 71 LEU N N 71 122.905 121.823 1.082 1
1 864 . 16 1 1 A 72 72 GLU H H 72 8.343 8.611 -0.268 1
1 865 . 16 1 1 A 72 72 GLU HA H 72 4.238 4.690 -0.452 1
1 870 . 16 1 1 A 72 72 GLU C C 72 176.100 174.486 1.614 1
1 871 . 16 1 1 A 72 72 GLU CA C 72 56.760 55.172 1.588 1
1 872 . 16 1 1 A 72 72 GLU CB C 72 30.619 33.629 -3.010 1
1 874 . 16 1 1 A 72 72 GLU N N 72 121.500 118.953 2.547 1
1 875 . 16 1 1 A 73 73 HIS H H 73 8.404 9.010 -0.606 1
1 876 . 16 1 1 A 73 73 HIS HA H 73 4.593 4.824 -0.231 1
1 879 . 16 1 1 A 73 73 HIS C C 73 173.840 174.609 -0.769 1
1 880 . 16 1 1 A 73 73 HIS CA C 73 55.777 54.956 0.821 1
1 881 . 16 1 1 A 73 73 HIS CB C 73 30.080 30.957 -0.877 1
1 882 . 16 1 1 A 73 73 HIS N N 73 119.733 126.812 -7.079 1
1 883 . 16 1 1 A 74 74 HIS H H 74 8.213 8.534 -0.321 1
1 884 . 16 1 1 A 74 74 HIS CA C 74 57.175 56.873 0.302 1
1 885 . 16 1 1 A 74 74 HIS CB C 74 30.671 30.275 0.396 1
1 9 . 17 1 1 A 2 2 ASN H H 2 9.645 8.808 0.837 1
1 10 . 17 1 1 A 2 2 ASN HA H 2 5.430 5.139 0.291 1
1 15 . 17 1 1 A 2 2 ASN CA C 2 52.761 52.915 -0.154 1
1 16 . 17 1 1 A 2 2 ASN CB C 2 40.140 39.517 0.623 1
1 17 . 17 1 1 A 2 2 ASN N N 2 125.300 119.262 6.038 1
1 19 . 17 1 1 A 3 3 LEU H H 3 8.769 9.106 -0.337 1
1 20 . 17 1 1 A 3 3 LEU HA H 3 4.949 5.004 -0.055 1
1 30 . 17 1 1 A 3 3 LEU C C 3 176.320 175.595 0.725 1
1 31 . 17 1 1 A 3 3 LEU CA C 3 54.223 53.345 0.878 1
1 32 . 17 1 1 A 3 3 LEU CB C 3 45.941 44.862 1.079 1
1 36 . 17 1 1 A 3 3 LEU N N 3 121.800 125.068 -3.268 1
1 37 . 17 1 1 A 4 4 THR H H 4 8.329 9.253 -0.924 1
1 38 . 17 1 1 A 4 4 THR HA H 4 4.744 4.970 -0.226 1
1 43 . 17 1 1 A 4 4 THR C C 4 173.650 173.119 0.531 1
1 44 . 17 1 1 A 4 4 THR CA C 4 62.150 61.872 0.278 1
1 45 . 17 1 1 A 4 4 THR CB C 4 69.430 68.019 1.411 1
1 47 . 17 1 1 A 4 4 THR N N 4 116.200 120.756 -4.556 1
1 48 . 17 1 1 A 5 5 VAL H H 5 8.955 8.398 0.557 1
1 49 . 17 1 1 A 5 5 VAL HA H 5 4.683 4.429 0.254 1
1 57 . 17 1 1 A 5 5 VAL C C 5 176.470 175.981 0.489 1
1 58 . 17 1 1 A 5 5 VAL CA C 5 60.724 60.909 -0.185 1
1 59 . 17 1 1 A 5 5 VAL CB C 5 33.590 32.713 0.877 1
1 62 . 17 1 1 A 5 5 VAL N N 5 126.000 126.449 -0.449 1
1 63 . 17 1 1 A 6 6 ASN H H 6 9.534 9.540 -0.006 1
1 64 . 17 1 1 A 6 6 ASN HA H 6 4.636 4.501 0.135 1
1 69 . 17 1 1 A 6 6 ASN C C 6 175.900 175.550 0.350 1
1 70 . 17 1 1 A 6 6 ASN CA C 6 54.150 54.502 -0.352 1
1 71 . 17 1 1 A 6 6 ASN CB C 6 36.410 37.019 -0.609 1
1 72 . 17 1 1 A 6 6 ASN N N 6 129.400 128.293 1.107 1
1 74 . 17 1 1 A 7 7 GLY H H 7 8.915 8.772 0.143 1
1 75 . 17 1 1 A 7 7 GLY HA2 H 7 4.170 3.896 0.274 1
1 76 . 17 1 1 A 7 7 GLY HA3 H 7 3.485 3.898 -0.413 1
1 77 . 17 1 1 A 7 7 GLY C C 7 173.950 173.750 0.200 1
1 78 . 17 1 1 A 7 7 GLY CA C 7 45.337 45.503 -0.166 1
1 79 . 17 1 1 A 7 7 GLY N N 7 102.200 105.038 -2.838 1
1 80 . 17 1 1 A 8 8 LYS H H 8 7.900 8.144 -0.244 1
1 81 . 17 1 1 A 8 8 LYS HA H 8 4.987 4.714 0.273 1
1 90 . 17 1 1 A 8 8 LYS CA C 8 52.940 52.958 -0.018 1
1 91 . 17 1 1 A 8 8 LYS CB C 8 34.010 33.879 0.131 1
1 95 . 17 1 1 A 8 8 LYS N N 8 121.700 121.615 0.085 1
1 96 . 17 1 1 A 9 9 PRO HA H 9 4.700 4.756 -0.056 1
1 103 . 17 1 1 A 9 9 PRO C C 9 176.900 175.431 1.469 1
1 104 . 17 1 1 A 9 9 PRO CA C 9 63.990 62.502 1.488 1
1 105 . 17 1 1 A 9 9 PRO CB C 9 32.000 30.374 1.626 1
1 108 . 17 1 1 A 10 10 SER H H 10 8.970 8.867 0.103 1
1 109 . 17 1 1 A 10 10 SER HA H 10 4.822 4.765 0.057 1
1 112 . 17 1 1 A 10 10 SER C C 10 172.800 173.005 -0.205 1
1 113 . 17 1 1 A 10 10 SER CA C 10 57.880 56.916 0.964 1
1 114 . 17 1 1 A 10 10 SER CB C 10 66.361 64.011 2.350 1
1 115 . 17 1 1 A 10 10 SER N N 10 120.300 118.295 2.005 1
1 116 . 17 1 1 A 11 11 THR H H 11 8.590 8.885 -0.295 1
1 117 . 17 1 1 A 11 11 THR HA H 11 5.163 4.619 0.544 1
1 122 . 17 1 1 A 11 11 THR C C 11 173.720 173.689 0.031 1
1 123 . 17 1 1 A 11 11 THR CA C 11 61.380 62.482 -1.102 1
1 124 . 17 1 1 A 11 11 THR CB C 11 71.950 68.039 3.911 1
1 126 . 17 1 1 A 11 11 THR N N 11 120.191 123.037 -2.846 1
1 127 . 17 1 1 A 12 12 VAL H H 12 8.563 8.331 0.232 1
1 128 . 17 1 1 A 12 12 VAL HA H 12 4.172 4.669 -0.497 1
1 136 . 17 1 1 A 12 12 VAL C C 12 175.380 174.055 1.325 1
1 137 . 17 1 1 A 12 12 VAL CA C 12 61.350 61.003 0.347 1
1 138 . 17 1 1 A 12 12 VAL CB C 12 33.053 32.707 0.346 1
1 141 . 17 1 1 A 12 12 VAL N N 12 125.000 123.512 1.488 1
1 142 . 17 1 1 A 13 13 ASP H H 13 8.878 8.782 0.096 1
1 143 . 17 1 1 A 13 13 ASP HA H 13 4.501 4.586 -0.085 1
1 146 . 17 1 1 A 13 13 ASP C C 13 177.180 177.218 -0.038 1
1 147 . 17 1 1 A 13 13 ASP CA C 13 55.120 54.819 0.301 1
1 148 . 17 1 1 A 13 13 ASP CB C 13 41.450 41.214 0.236 1
1 149 . 17 1 1 A 13 13 ASP N N 13 128.300 128.519 -0.219 1
1 150 . 17 1 1 A 14 14 GLY H H 14 8.697 8.839 -0.142 1
1 151 . 17 1 1 A 14 14 GLY HA2 H 14 4.076 3.933 0.143 1
1 152 . 17 1 1 A 14 14 GLY HA3 H 14 3.719 3.934 -0.215 1
1 153 . 17 1 1 A 14 14 GLY C C 14 173.244 173.580 -0.336 1
1 154 . 17 1 1 A 14 14 GLY CA C 14 45.887 45.583 0.304 1
1 155 . 17 1 1 A 14 14 GLY N N 14 109.900 113.765 -3.865 1
1 156 . 17 1 1 A 15 15 ALA H H 15 7.360 7.646 -0.286 1
1 157 . 17 1 1 A 15 15 ALA HA H 15 4.601 4.685 -0.084 1
1 161 . 17 1 1 A 15 15 ALA C C 15 176.240 176.550 -0.310 1
1 162 . 17 1 1 A 15 15 ALA CA C 15 51.370 51.187 0.183 1
1 163 . 17 1 1 A 15 15 ALA CB C 15 20.970 21.157 -0.187 1
1 164 . 17 1 1 A 15 15 ALA N N 15 121.213 121.164 0.049 1
1 165 . 17 1 1 A 16 16 GLU H H 16 8.967 8.725 0.242 1
1 166 . 17 1 1 A 16 16 GLU HA H 16 4.406 4.479 -0.073 1
1 171 . 17 1 1 A 16 16 GLU C C 16 175.800 176.794 -0.994 1
1 172 . 17 1 1 A 16 16 GLU CA C 16 57.170 58.164 -0.994 1
1 173 . 17 1 1 A 16 16 GLU CB C 16 30.700 30.616 0.084 1
1 175 . 17 1 1 A 16 16 GLU N N 16 120.800 122.940 -2.140 1
1 176 . 17 1 1 A 17 17 SER H H 17 7.587 7.812 -0.225 1
1 177 . 17 1 1 A 17 17 SER HA H 17 4.891 4.977 -0.086 1
1 180 . 17 1 1 A 17 17 SER C C 17 172.400 172.923 -0.523 1
1 181 . 17 1 1 A 17 17 SER CA C 17 57.797 57.929 -0.132 1
1 182 . 17 1 1 A 17 17 SER CB C 17 64.571 65.491 -0.920 1
1 183 . 17 1 1 A 17 17 SER N N 17 111.600 110.996 0.604 1
1 184 . 17 1 1 A 18 18 LEU H H 18 8.285 8.779 -0.494 1
1 185 . 17 1 1 A 18 18 LEU HA H 18 4.810 5.266 -0.456 1
1 195 . 17 1 1 A 18 18 LEU C C 18 175.800 175.855 -0.055 1
1 196 . 17 1 1 A 18 18 LEU CA C 18 54.230 52.806 1.424 1
1 197 . 17 1 1 A 18 18 LEU CB C 18 47.430 45.809 1.621 1
1 201 . 17 1 1 A 18 18 LEU N N 18 122.165 123.480 -1.315 1
1 202 . 17 1 1 A 19 19 ASN H H 19 8.920 8.843 0.077 1
1 203 . 17 1 1 A 19 19 ASN HA H 19 5.768 5.178 0.590 1
1 208 . 17 1 1 A 19 19 ASN C C 19 176.170 176.932 -0.762 1
1 209 . 17 1 1 A 19 19 ASN CA C 19 51.650 53.770 -2.120 1
1 210 . 17 1 1 A 19 19 ASN CB C 19 38.430 39.813 -1.383 1
1 211 . 17 1 1 A 19 19 ASN N N 19 118.700 118.382 0.318 1
1 213 . 17 1 1 A 20 20 VAL H H 20 7.805 8.796 -0.991 1
1 214 . 17 1 1 A 20 20 VAL HA H 20 3.297 3.597 -0.300 1
1 222 . 17 1 1 A 20 20 VAL C C 20 176.770 177.269 -0.499 1
1 223 . 17 1 1 A 20 20 VAL CA C 20 67.360 66.090 1.270 1
1 224 . 17 1 1 A 20 20 VAL CB C 20 30.940 31.376 -0.436 1
1 227 . 17 1 1 A 20 20 VAL N N 20 117.900 122.814 -4.914 1
1 228 . 17 1 1 A 21 21 THR H H 21 7.230 7.852 -0.622 1
1 229 . 17 1 1 A 21 21 THR HA H 21 3.665 3.846 -0.181 1
1 234 . 17 1 1 A 21 21 THR C C 21 177.360 176.249 1.111 1
1 235 . 17 1 1 A 21 21 THR CA C 21 67.077 67.348 -0.271 1
1 236 . 17 1 1 A 21 21 THR CB C 21 68.460 68.768 -0.308 1
1 238 . 17 1 1 A 21 21 THR N N 21 117.400 116.876 0.524 1
1 239 . 17 1 1 A 22 22 GLU H H 22 8.750 8.295 0.455 1
1 240 . 17 1 1 A 22 22 GLU HA H 22 4.046 3.978 0.068 1
1 245 . 17 1 1 A 22 22 GLU C C 22 179.910 179.102 0.808 1
1 246 . 17 1 1 A 22 22 GLU CA C 22 58.550 59.270 -0.720 1
1 247 . 17 1 1 A 22 22 GLU CB C 22 30.550 29.203 1.347 1
1 249 . 17 1 1 A 22 22 GLU N N 22 121.238 119.691 1.547 1
1 250 . 17 1 1 A 23 23 LEU H H 23 8.766 8.184 0.582 1
1 251 . 17 1 1 A 23 23 LEU HA H 23 3.935 4.057 -0.122 1
1 261 . 17 1 1 A 23 23 LEU C C 23 177.800 178.314 -0.514 1
1 262 . 17 1 1 A 23 23 LEU CA C 23 58.240 58.224 0.016 1
1 263 . 17 1 1 A 23 23 LEU CB C 23 41.844 41.199 0.645 1
1 267 . 17 1 1 A 23 23 LEU N N 23 123.900 122.077 1.823 1
1 268 . 17 1 1 A 24 24 LEU H H 24 8.305 8.336 -0.031 1
1 269 . 17 1 1 A 24 24 LEU HA H 24 3.690 3.959 -0.269 1
1 279 . 17 1 1 A 24 24 LEU C C 24 179.620 179.455 0.165 1
1 280 . 17 1 1 A 24 24 LEU CA C 24 58.010 57.914 0.096 1
1 281 . 17 1 1 A 24 24 LEU CB C 24 41.320 41.361 -0.041 1
1 285 . 17 1 1 A 24 24 LEU N N 24 117.100 118.668 -1.568 1
1 286 . 17 1 1 A 25 25 SER H H 25 7.226 8.105 -0.879 1
1 287 . 17 1 1 A 25 25 SER HA H 25 4.304 4.186 0.118 1
1 290 . 17 1 1 A 25 25 SER C C 25 178.100 177.239 0.861 1
1 291 . 17 1 1 A 25 25 SER CA C 25 60.900 61.517 -0.617 1
1 292 . 17 1 1 A 25 25 SER CB C 25 62.850 62.842 0.008 1
1 293 . 17 1 1 A 25 25 SER N N 25 111.500 114.367 -2.867 1
1 294 . 17 1 1 A 26 26 ALA H H 26 8.712 8.211 0.501 1
1 295 . 17 1 1 A 26 26 ALA HA H 26 4.138 4.165 -0.027 1
1 299 . 17 1 1 A 26 26 ALA C C 26 180.000 179.834 0.166 1
1 300 . 17 1 1 A 26 26 ALA CA C 26 55.180 54.921 0.259 1
1 301 . 17 1 1 A 26 26 ALA CB C 26 18.200 18.282 -0.082 1
1 302 . 17 1 1 A 26 26 ALA N N 26 126.100 123.550 2.550 1
1 303 . 17 1 1 A 27 27 LEU H H 27 8.050 7.908 0.142 1
1 304 . 17 1 1 A 27 27 LEU HA H 27 4.314 4.181 0.133 1
1 314 . 17 1 1 A 27 27 LEU C C 27 175.810 176.310 -0.500 1
1 315 . 17 1 1 A 27 27 LEU CA C 27 54.307 54.811 -0.504 1
1 316 . 17 1 1 A 27 27 LEU CB C 27 42.021 42.090 -0.069 1
1 320 . 17 1 1 A 27 27 LEU N N 27 114.250 116.045 -1.795 1
1 321 . 17 1 1 A 28 28 LYS H H 28 7.766 7.715 0.051 1
1 322 . 17 1 1 A 28 28 LYS HA H 28 3.869 3.979 -0.110 1
1 331 . 17 1 1 A 28 28 LYS C C 28 176.030 175.160 0.870 1
1 332 . 17 1 1 A 28 28 LYS CA C 28 56.630 57.164 -0.534 1
1 333 . 17 1 1 A 28 28 LYS CB C 28 28.893 30.898 -2.005 1
1 337 . 17 1 1 A 28 28 LYS N N 28 117.700 119.161 -1.461 1
1 338 . 17 1 1 A 29 29 VAL H H 29 7.583 8.105 -0.522 1
1 339 . 17 1 1 A 29 29 VAL HA H 29 3.520 4.266 -0.746 1
1 347 . 17 1 1 A 29 29 VAL C C 29 176.410 176.057 0.353 1
1 348 . 17 1 1 A 29 29 VAL CA C 29 63.741 62.432 1.309 1
1 349 . 17 1 1 A 29 29 VAL CB C 29 31.840 32.181 -0.341 1
1 352 . 17 1 1 A 29 29 VAL N N 29 119.200 119.445 -0.245 1
1 353 . 17 1 1 A 30 30 ALA H H 30 8.543 8.842 -0.299 1
1 354 . 17 1 1 A 30 30 ALA HA H 30 4.215 4.169 0.046 1
1 358 . 17 1 1 A 30 30 ALA C C 30 177.710 178.291 -0.581 1
1 359 . 17 1 1 A 30 30 ALA CA C 30 52.330 54.925 -2.595 1
1 360 . 17 1 1 A 30 30 ALA CB C 30 19.170 18.577 0.593 1
1 361 . 17 1 1 A 30 30 ALA N N 30 131.100 129.581 1.519 1
1 362 . 17 1 1 A 31 31 GLN H H 31 8.982 7.858 1.124 1
1 363 . 17 1 1 A 31 31 GLN HA H 31 4.162 4.823 -0.661 1
1 370 . 17 1 1 A 31 31 GLN C C 31 176.670 175.966 0.704 1
1 371 . 17 1 1 A 31 31 GLN CA C 31 56.100 54.084 2.016 1
1 372 . 17 1 1 A 31 31 GLN CB C 31 27.390 27.191 0.199 1
1 374 . 17 1 1 A 31 31 GLN N N 31 117.300 116.564 0.736 1
1 376 . 17 1 1 A 32 32 ALA H H 32 8.029 8.625 -0.596 1
1 377 . 17 1 1 A 32 32 ALA HA H 32 3.738 4.172 -0.434 1
1 381 . 17 1 1 A 32 32 ALA C C 32 178.700 179.800 -1.100 1
1 382 . 17 1 1 A 32 32 ALA CA C 32 55.010 54.684 0.326 1
1 383 . 17 1 1 A 32 32 ALA CB C 32 18.647 18.756 -0.109 1
1 384 . 17 1 1 A 32 32 ALA N N 32 119.900 127.414 -7.514 1
1 385 . 17 1 1 A 33 33 GLU H H 33 9.338 7.988 1.350 1
1 386 . 17 1 1 A 33 33 GLU HA H 33 4.037 3.943 0.094 1
1 391 . 17 1 1 A 33 33 GLU C C 33 176.370 177.138 -0.768 1
1 392 . 17 1 1 A 33 33 GLU CA C 33 58.280 58.606 -0.326 1
1 393 . 17 1 1 A 33 33 GLU CB C 33 28.670 28.946 -0.276 1
1 395 . 17 1 1 A 33 33 GLU N N 33 116.800 119.622 -2.822 1
1 396 . 17 1 1 A 34 34 TYR H H 34 8.063 8.054 0.009 1
1 397 . 17 1 1 A 34 34 TYR HA H 34 4.820 4.846 -0.026 1
1 404 . 17 1 1 A 34 34 TYR C C 34 175.460 175.257 0.203 1
1 405 . 17 1 1 A 34 34 TYR CA C 34 56.800 57.926 -1.126 1
1 406 . 17 1 1 A 34 34 TYR CB C 34 39.810 39.581 0.229 1
1 411 . 17 1 1 A 34 34 TYR N N 34 116.100 116.527 -0.427 1
1 412 . 17 1 1 A 35 35 VAL H H 35 7.330 7.377 -0.047 1
1 413 . 17 1 1 A 35 35 VAL HA H 35 4.689 3.178 1.511 1
1 421 . 17 1 1 A 35 35 VAL C C 35 173.700 174.490 -0.790 1
1 422 . 17 1 1 A 35 35 VAL CA C 35 61.550 61.313 0.237 1
1 423 . 17 1 1 A 35 35 VAL CB C 35 33.650 32.482 1.168 1
1 426 . 17 1 1 A 35 35 VAL N N 35 121.200 121.103 0.097 1
1 427 . 17 1 1 A 36 36 THR H H 36 8.879 7.518 1.361 1
1 428 . 17 1 1 A 36 36 THR HA H 36 4.696 4.766 -0.070 1
1 433 . 17 1 1 A 36 36 THR C C 36 172.930 173.974 -1.044 1
1 434 . 17 1 1 A 36 36 THR CA C 36 62.300 61.959 0.341 1
1 435 . 17 1 1 A 36 36 THR CB C 36 70.500 69.063 1.437 1
1 437 . 17 1 1 A 36 36 THR N N 36 126.800 123.604 3.196 1
1 438 . 17 1 1 A 37 37 VAL H H 37 9.616 8.907 0.709 1
1 439 . 17 1 1 A 37 37 VAL HA H 37 5.072 4.618 0.454 1
1 447 . 17 1 1 A 37 37 VAL C C 37 174.820 174.824 -0.004 1
1 448 . 17 1 1 A 37 37 VAL CA C 37 59.440 58.860 0.580 1
1 449 . 17 1 1 A 37 37 VAL CB C 37 35.270 34.310 0.960 1
1 452 . 17 1 1 A 37 37 VAL N N 37 127.600 120.089 7.511 1
1 453 . 17 1 1 A 38 38 GLU H H 38 8.934 8.930 0.004 1
1 454 . 17 1 1 A 38 38 GLU HA H 38 5.059 5.246 -0.187 1
1 459 . 17 1 1 A 38 38 GLU C C 38 174.850 174.682 0.168 1
1 460 . 17 1 1 A 38 38 GLU CA C 38 53.989 54.644 -0.655 1
1 461 . 17 1 1 A 38 38 GLU CB C 38 32.599 31.451 1.148 1
1 463 . 17 1 1 A 38 38 GLU N N 38 126.700 123.332 3.368 1
1 464 . 17 1 1 A 39 39 LEU H H 39 9.004 8.380 0.624 1
1 465 . 17 1 1 A 39 39 LEU HA H 39 5.082 4.204 0.878 1
1 474 . 17 1 1 A 39 39 LEU C C 39 175.890 177.141 -1.251 1
1 475 . 17 1 1 A 39 39 LEU CA C 39 53.030 55.239 -2.209 1
1 476 . 17 1 1 A 39 39 LEU CB C 39 45.640 42.155 3.485 1
1 479 . 17 1 1 A 39 39 LEU N N 39 128.700 126.387 2.313 1
1 480 . 17 1 1 A 40 40 ASN H H 40 10.210 9.665 0.545 1
1 481 . 17 1 1 A 40 40 ASN HA H 40 4.495 4.463 0.032 1
1 486 . 17 1 1 A 40 40 ASN C C 40 175.620 175.463 0.157 1
1 487 . 17 1 1 A 40 40 ASN CA C 40 54.540 54.449 0.091 1
1 488 . 17 1 1 A 40 40 ASN CB C 40 37.280 37.039 0.241 1
1 489 . 17 1 1 A 40 40 ASN N N 40 128.749 124.196 4.553 1
1 491 . 17 1 1 A 41 41 GLY H H 41 8.913 8.610 0.303 1
1 492 . 17 1 1 A 41 41 GLY HA2 H 41 4.162 3.836 0.326 1
1 493 . 17 1 1 A 41 41 GLY HA3 H 41 3.625 3.837 -0.212 1
1 494 . 17 1 1 A 41 41 GLY C C 41 173.380 173.745 -0.365 1
1 495 . 17 1 1 A 41 41 GLY CA C 41 45.220 45.458 -0.238 1
1 496 . 17 1 1 A 41 41 GLY N N 41 102.811 104.759 -1.948 1
1 497 . 17 1 1 A 42 42 GLU H H 42 7.716 7.817 -0.101 1
1 498 . 17 1 1 A 42 42 GLU HA H 42 4.655 4.878 -0.223 1
1 503 . 17 1 1 A 42 42 GLU C C 42 175.300 175.432 -0.132 1
1 504 . 17 1 1 A 42 42 GLU CA C 42 54.190 54.969 -0.779 1
1 505 . 17 1 1 A 42 42 GLU CB C 42 31.770 32.655 -0.885 1
1 507 . 17 1 1 A 42 42 GLU N N 42 120.731 119.871 0.860 1
1 508 . 17 1 1 A 43 43 VAL H H 43 8.872 8.657 0.215 1
1 509 . 17 1 1 A 43 43 VAL HA H 43 4.025 4.241 -0.216 1
1 517 . 17 1 1 A 43 43 VAL C C 43 176.260 175.121 1.139 1
1 518 . 17 1 1 A 43 43 VAL CA C 43 64.110 62.773 1.337 1
1 519 . 17 1 1 A 43 43 VAL CB C 43 31.500 32.825 -1.325 1
1 522 . 17 1 1 A 43 43 VAL N N 43 126.800 126.042 0.758 1
1 523 . 17 1 1 A 44 44 LEU H H 44 8.810 8.187 0.623 1
1 524 . 17 1 1 A 44 44 LEU HA H 44 4.656 4.891 -0.235 1
1 534 . 17 1 1 A 44 44 LEU C C 44 177.620 175.516 2.104 1
1 535 . 17 1 1 A 44 44 LEU CA C 44 53.750 53.272 0.478 1
1 536 . 17 1 1 A 44 44 LEU CB C 44 44.080 43.579 0.501 1
1 540 . 17 1 1 A 44 44 LEU N N 44 129.200 127.711 1.489 1
1 541 . 17 1 1 A 45 45 GLU H H 45 8.742 8.571 0.171 1
1 542 . 17 1 1 A 45 45 GLU HA H 45 4.465 4.748 -0.283 1
1 547 . 17 1 1 A 45 45 GLU C C 45 177.440 177.167 0.273 1
1 548 . 17 1 1 A 45 45 GLU CA C 45 55.270 54.848 0.422 1
1 549 . 17 1 1 A 45 45 GLU CB C 45 29.830 32.004 -2.174 1
1 551 . 17 1 1 A 45 45 GLU N N 45 122.500 120.541 1.959 1
1 552 . 17 1 1 A 46 46 ARG H H 46 8.674 8.555 0.119 1
1 553 . 17 1 1 A 46 46 ARG HA H 46 2.384 3.179 -0.795 1
1 560 . 17 1 1 A 46 46 ARG C C 46 179.080 177.182 1.898 1
1 561 . 17 1 1 A 46 46 ARG CA C 46 58.150 58.703 -0.553 1
1 562 . 17 1 1 A 46 46 ARG CB C 46 29.050 29.534 -0.484 1
1 565 . 17 1 1 A 46 46 ARG N N 46 124.600 124.934 -0.334 1
1 566 . 17 1 1 A 47 47 GLU H H 47 9.010 7.664 1.346 1
1 567 . 17 1 1 A 47 47 GLU HA H 47 4.008 4.071 -0.063 1
1 572 . 17 1 1 A 47 47 GLU C C 47 176.700 178.343 -1.643 1
1 573 . 17 1 1 A 47 47 GLU CA C 47 58.720 57.151 1.569 1
1 574 . 17 1 1 A 47 47 GLU CB C 47 28.590 29.266 -0.676 1
1 576 . 17 1 1 A 47 47 GLU N N 47 117.300 119.261 -1.961 1
1 577 . 17 1 1 A 48 48 ALA H H 48 8.011 7.715 0.296 1
1 578 . 17 1 1 A 48 48 ALA HA H 48 4.749 4.074 0.675 1
1 582 . 17 1 1 A 48 48 ALA C C 48 180.070 179.558 0.512 1
1 583 . 17 1 1 A 48 48 ALA CA C 48 51.780 54.806 -3.026 1
1 584 . 17 1 1 A 48 48 ALA CB C 48 19.390 18.209 1.181 1
1 585 . 17 1 1 A 48 48 ALA N N 48 120.200 122.259 -2.059 1
1 586 . 17 1 1 A 49 49 PHE H H 49 8.002 7.231 0.771 1
1 587 . 17 1 1 A 49 49 PHE HA H 49 4.305 4.324 -0.019 1
1 594 . 17 1 1 A 49 49 PHE C C 49 177.710 178.106 -0.396 1
1 595 . 17 1 1 A 49 49 PHE CA C 49 59.969 61.327 -1.358 1
1 596 . 17 1 1 A 49 49 PHE CB C 49 36.820 38.312 -1.492 1
1 601 . 17 1 1 A 49 49 PHE N N 49 123.801 116.594 7.207 1
1 602 . 17 1 1 A 50 50 ASP H H 50 8.558 8.438 0.120 1
1 603 . 17 1 1 A 50 50 ASP HA H 50 4.561 4.385 0.176 1
1 606 . 17 1 1 A 50 50 ASP C C 50 176.610 177.741 -1.131 1
1 607 . 17 1 1 A 50 50 ASP CA C 50 56.100 57.357 -1.257 1
1 608 . 17 1 1 A 50 50 ASP CB C 50 40.350 40.766 -0.416 1
1 609 . 17 1 1 A 50 50 ASP N N 50 115.500 119.035 -3.535 1
1 610 . 17 1 1 A 51 51 ALA H H 51 7.539 7.399 0.140 1
1 611 . 17 1 1 A 51 51 ALA HA H 51 4.498 4.409 0.089 1
1 615 . 17 1 1 A 51 51 ALA C C 51 177.370 176.488 0.882 1
1 616 . 17 1 1 A 51 51 ALA CA C 51 51.850 52.309 -0.459 1
1 617 . 17 1 1 A 51 51 ALA CB C 51 20.280 19.713 0.567 1
1 618 . 17 1 1 A 51 51 ALA N N 51 119.500 119.669 -0.169 1
1 619 . 17 1 1 A 52 52 THR H H 52 7.503 7.661 -0.158 1
1 620 . 17 1 1 A 52 52 THR HA H 52 4.376 4.703 -0.327 1
1 625 . 17 1 1 A 52 52 THR C C 52 172.780 173.705 -0.925 1
1 626 . 17 1 1 A 52 52 THR CA C 52 63.450 61.690 1.760 1
1 627 . 17 1 1 A 52 52 THR CB C 52 69.910 69.928 -0.018 1
1 629 . 17 1 1 A 52 52 THR N N 52 117.700 113.840 3.860 1
1 630 . 17 1 1 A 53 53 THR H H 53 8.354 8.793 -0.439 1
1 631 . 17 1 1 A 53 53 THR HA H 53 4.521 4.925 -0.404 1
1 636 . 17 1 1 A 53 53 THR C C 53 173.000 174.033 -1.033 1
1 637 . 17 1 1 A 53 53 THR CA C 53 62.110 60.824 1.286 1
1 638 . 17 1 1 A 53 53 THR CB C 53 70.380 69.903 0.477 1
1 640 . 17 1 1 A 53 53 THR N N 53 120.700 119.789 0.911 1
1 641 . 17 1 1 A 54 54 VAL H H 54 9.223 8.839 0.384 1
1 642 . 17 1 1 A 54 54 VAL HA H 54 4.256 4.282 -0.026 1
1 650 . 17 1 1 A 54 54 VAL C C 54 173.500 175.762 -2.262 1
1 651 . 17 1 1 A 54 54 VAL CA C 54 61.330 62.634 -1.304 1
1 652 . 17 1 1 A 54 54 VAL CB C 54 33.090 31.913 1.177 1
1 655 . 17 1 1 A 54 54 VAL N N 54 126.200 127.255 -1.055 1
1 656 . 17 1 1 A 55 55 LYS H H 55 9.074 8.913 0.161 1
1 657 . 17 1 1 A 55 55 LYS HA H 55 4.847 4.856 -0.009 1
1 666 . 17 1 1 A 55 55 LYS C C 55 174.610 174.979 -0.369 1
1 667 . 17 1 1 A 55 55 LYS CA C 55 54.265 54.251 0.014 1
1 668 . 17 1 1 A 55 55 LYS CB C 55 36.111 36.069 0.042 1
1 672 . 17 1 1 A 55 55 LYS N N 55 124.700 126.048 -1.348 1
1 673 . 17 1 1 A 56 56 ASP H H 56 8.111 8.562 -0.451 1
1 674 . 17 1 1 A 56 56 ASP HA H 56 4.553 4.301 0.252 1
1 677 . 17 1 1 A 56 56 ASP C C 56 177.720 177.066 0.654 1
1 678 . 17 1 1 A 56 56 ASP CA C 56 56.040 55.934 0.106 1
1 679 . 17 1 1 A 56 56 ASP CB C 56 43.070 40.288 2.782 1
1 680 . 17 1 1 A 56 56 ASP N N 56 116.700 121.421 -4.721 1
1 681 . 17 1 1 A 57 57 GLY H H 57 9.330 9.197 0.133 1
1 682 . 17 1 1 A 57 57 GLY HA2 H 57 4.343 3.901 0.442 1
1 683 . 17 1 1 A 57 57 GLY HA3 H 57 3.652 3.901 -0.249 1
1 684 . 17 1 1 A 57 57 GLY C C 57 175.140 173.638 1.502 1
1 685 . 17 1 1 A 57 57 GLY CA C 57 44.869 45.602 -0.733 1
1 686 . 17 1 1 A 57 57 GLY N N 57 113.900 113.527 0.373 1
1 687 . 17 1 1 A 58 58 ASP H H 58 8.104 7.431 0.673 1
1 688 . 17 1 1 A 58 58 ASP HA H 58 4.808 4.928 -0.120 1
1 691 . 17 1 1 A 58 58 ASP C C 58 174.100 175.666 -1.566 1
1 692 . 17 1 1 A 58 58 ASP CA C 58 55.700 52.884 2.816 1
1 693 . 17 1 1 A 58 58 ASP CB C 58 42.080 42.914 -0.834 1
1 694 . 17 1 1 A 58 58 ASP N N 58 122.600 120.503 2.097 1
1 695 . 17 1 1 A 59 59 ALA H H 59 8.326 8.405 -0.079 1
1 696 . 17 1 1 A 59 59 ALA HA H 59 5.208 5.056 0.152 1
1 700 . 17 1 1 A 59 59 ALA C C 59 174.350 176.930 -2.580 1
1 701 . 17 1 1 A 59 59 ALA CA C 59 50.110 51.051 -0.941 1
1 702 . 17 1 1 A 59 59 ALA CB C 59 20.760 19.616 1.144 1
1 703 . 17 1 1 A 59 59 ALA N N 59 121.100 123.089 -1.989 1
1 704 . 17 1 1 A 60 60 VAL H H 60 9.061 7.460 1.601 1
1 705 . 17 1 1 A 60 60 VAL HA H 60 4.117 4.045 0.072 1
1 713 . 17 1 1 A 60 60 VAL C C 60 174.300 174.596 -0.296 1
1 714 . 17 1 1 A 60 60 VAL CA C 60 61.830 63.013 -1.183 1
1 715 . 17 1 1 A 60 60 VAL CB C 60 33.640 32.170 1.470 1
1 718 . 17 1 1 A 60 60 VAL N N 60 121.800 119.565 2.235 1
1 719 . 17 1 1 A 61 61 GLU H H 61 9.027 8.928 0.099 1
1 720 . 17 1 1 A 61 61 GLU HA H 61 4.778 4.826 -0.048 1
1 725 . 17 1 1 A 61 61 GLU C C 61 176.200 175.234 0.966 1
1 726 . 17 1 1 A 61 61 GLU CA C 61 54.152 55.728 -1.576 1
1 727 . 17 1 1 A 61 61 GLU CB C 61 32.477 30.535 1.942 1
1 729 . 17 1 1 A 61 61 GLU N N 61 123.900 128.936 -5.036 1
1 730 . 17 1 1 A 62 62 PHE H H 62 9.075 9.133 -0.058 1
1 731 . 17 1 1 A 62 62 PHE HA H 62 5.317 4.918 0.399 1
1 739 . 17 1 1 A 62 62 PHE C C 62 174.490 175.673 -1.183 1
1 740 . 17 1 1 A 62 62 PHE CA C 62 54.910 57.813 -2.903 1
1 741 . 17 1 1 A 62 62 PHE CB C 62 39.640 40.817 -1.177 1
1 747 . 17 1 1 A 62 62 PHE N N 62 122.000 123.078 -1.078 1
1 748 . 17 1 1 A 63 63 LEU H H 63 8.996 8.498 0.498 1
1 749 . 17 1 1 A 63 63 LEU HA H 63 4.643 4.758 -0.115 1
1 759 . 17 1 1 A 63 63 LEU C C 63 175.030 175.365 -0.335 1
1 760 . 17 1 1 A 63 63 LEU CA C 63 53.630 53.128 0.502 1
1 761 . 17 1 1 A 63 63 LEU CB C 63 44.680 44.829 -0.149 1
1 765 . 17 1 1 A 63 63 LEU N N 63 125.000 119.055 5.945 1
1 766 . 17 1 1 A 64 64 TYR H H 64 8.669 8.266 0.403 1
1 767 . 17 1 1 A 64 64 TYR HA H 64 4.758 4.052 0.706 1
1 774 . 17 1 1 A 64 64 TYR C C 64 175.630 175.050 0.580 1
1 775 . 17 1 1 A 64 64 TYR CA C 64 57.460 60.685 -3.225 1
1 776 . 17 1 1 A 64 64 TYR CB C 64 39.690 36.348 3.342 1
1 781 . 17 1 1 A 64 64 TYR N N 64 120.100 117.577 2.523 1
1 782 . 17 1 1 A 65 65 PHE H H 65 8.688 8.372 0.316 1
1 783 . 17 1 1 A 65 65 PHE HA H 65 4.777 4.884 -0.107 1
1 791 . 17 1 1 A 65 65 PHE C C 65 175.940 175.027 0.913 1
1 792 . 17 1 1 A 65 65 PHE CA C 65 57.325 56.630 0.695 1
1 793 . 17 1 1 A 65 65 PHE CB C 65 39.340 37.593 1.747 1
1 799 . 17 1 1 A 65 65 PHE N N 65 122.100 120.326 1.774 1
1 800 . 17 1 1 A 66 66 MET H H 66 8.611 8.547 0.064 1
1 801 . 17 1 1 A 66 66 MET HA H 66 4.537 5.225 -0.688 1
1 806 . 17 1 1 A 66 66 MET C C 66 176.630 175.510 1.120 1
1 807 . 17 1 1 A 66 66 MET CA C 66 55.370 54.831 0.539 1
1 808 . 17 1 1 A 66 66 MET CB C 66 32.710 36.311 -3.601 1
1 810 . 17 1 1 A 66 66 MET N N 66 121.700 122.551 -0.851 1
1 811 . 17 1 1 A 67 67 GLY H H 67 8.213 8.775 -0.562 1
1 812 . 17 1 1 A 67 67 GLY HA2 H 67 3.928 4.127 -0.199 1
1 813 . 17 1 1 A 67 67 GLY HA3 H 67 3.928 4.132 -0.204 1
1 814 . 17 1 1 A 67 67 GLY C C 67 174.800 175.412 -0.612 1
1 815 . 17 1 1 A 67 67 GLY CA C 67 45.359 45.655 -0.296 1
1 816 . 17 1 1 A 67 67 GLY N N 67 109.600 114.103 -4.503 1
1 817 . 17 1 1 A 68 68 GLY H H 68 8.353 8.230 0.123 1
1 818 . 17 1 1 A 68 68 GLY HA2 H 68 4.862 3.983 0.879 1
1 819 . 17 1 1 A 68 68 GLY HA3 H 68 4.861 3.994 0.867 1
1 820 . 17 1 1 A 68 68 GLY C C 68 174.760 175.076 -0.316 1
1 821 . 17 1 1 A 68 68 GLY CA C 68 45.402 45.331 0.071 1
1 822 . 17 1 1 A 68 68 GLY N N 68 108.600 107.259 1.341 1
1 823 . 17 1 1 A 69 69 GLY H H 69 8.406 8.689 -0.283 1
1 824 . 17 1 1 A 69 69 GLY HA2 H 69 3.953 3.878 0.075 1
1 825 . 17 1 1 A 69 69 GLY HA3 H 69 3.953 3.882 0.071 1
1 826 . 17 1 1 A 69 69 GLY C C 69 174.070 173.794 0.276 1
1 827 . 17 1 1 A 69 69 GLY CA C 69 45.242 47.188 -1.946 1
1 828 . 17 1 1 A 69 69 GLY N N 69 109.100 109.147 -0.047 1
1 829 . 17 1 1 A 70 70 LYS H H 70 8.153 8.146 0.007 1
1 830 . 17 1 1 A 70 70 LYS HA H 70 4.255 4.515 -0.260 1
1 839 . 17 1 1 A 70 70 LYS C C 70 176.490 175.834 0.656 1
1 840 . 17 1 1 A 70 70 LYS CA C 70 56.370 55.542 0.828 1
1 841 . 17 1 1 A 70 70 LYS CB C 70 33.130 32.447 0.683 1
1 845 . 17 1 1 A 70 70 LYS N N 70 120.500 122.754 -2.254 1
1 846 . 17 1 1 A 71 71 LEU H H 71 8.253 8.733 -0.480 1
1 847 . 17 1 1 A 71 71 LEU HA H 71 4.285 4.559 -0.274 1
1 857 . 17 1 1 A 71 71 LEU C C 71 177.110 176.961 0.149 1
1 858 . 17 1 1 A 71 71 LEU CA C 71 55.120 54.312 0.808 1
1 859 . 17 1 1 A 71 71 LEU CB C 71 42.236 40.961 1.275 1
1 863 . 17 1 1 A 71 71 LEU N N 71 122.905 126.613 -3.708 1
1 864 . 17 1 1 A 72 72 GLU H H 72 8.343 8.763 -0.420 1
1 865 . 17 1 1 A 72 72 GLU HA H 72 4.238 4.049 0.189 1
1 870 . 17 1 1 A 72 72 GLU C C 72 176.100 176.218 -0.118 1
1 871 . 17 1 1 A 72 72 GLU CA C 72 56.760 58.480 -1.720 1
1 872 . 17 1 1 A 72 72 GLU CB C 72 30.619 28.279 2.340 1
1 874 . 17 1 1 A 72 72 GLU N N 72 121.500 120.973 0.527 1
1 875 . 17 1 1 A 73 73 HIS H H 73 8.404 8.834 -0.430 1
1 876 . 17 1 1 A 73 73 HIS HA H 73 4.593 4.706 -0.113 1
1 879 . 17 1 1 A 73 73 HIS C C 73 173.840 175.131 -1.291 1
1 880 . 17 1 1 A 73 73 HIS CA C 73 55.777 57.368 -1.591 1
1 881 . 17 1 1 A 73 73 HIS CB C 73 30.080 32.191 -2.111 1
1 882 . 17 1 1 A 73 73 HIS N N 73 119.733 122.722 -2.989 1
1 883 . 17 1 1 A 74 74 HIS H H 74 8.213 8.140 0.073 1
1 884 . 17 1 1 A 74 74 HIS CA C 74 57.175 56.679 0.496 1
1 885 . 17 1 1 A 74 74 HIS CB C 74 30.671 28.351 2.320 1
1 9 . 18 1 1 A 2 2 ASN H H 2 9.645 8.720 0.925 1
1 10 . 18 1 1 A 2 2 ASN HA H 2 5.430 4.987 0.443 1
1 15 . 18 1 1 A 2 2 ASN CA C 2 52.761 52.959 -0.198 1
1 16 . 18 1 1 A 2 2 ASN CB C 2 40.140 39.183 0.957 1
1 17 . 18 1 1 A 2 2 ASN N N 2 125.300 121.689 3.611 1
1 19 . 18 1 1 A 3 3 LEU H H 3 8.769 9.056 -0.287 1
1 20 . 18 1 1 A 3 3 LEU HA H 3 4.949 4.884 0.065 1
1 30 . 18 1 1 A 3 3 LEU C C 3 176.320 175.919 0.401 1
1 31 . 18 1 1 A 3 3 LEU CA C 3 54.223 53.526 0.697 1
1 32 . 18 1 1 A 3 3 LEU CB C 3 45.941 43.636 2.305 1
1 36 . 18 1 1 A 3 3 LEU N N 3 121.800 125.491 -3.691 1
1 37 . 18 1 1 A 4 4 THR H H 4 8.329 9.074 -0.745 1
1 38 . 18 1 1 A 4 4 THR HA H 4 4.744 4.726 0.018 1
1 43 . 18 1 1 A 4 4 THR C C 4 173.650 174.249 -0.599 1
1 44 . 18 1 1 A 4 4 THR CA C 4 62.150 62.636 -0.486 1
1 45 . 18 1 1 A 4 4 THR CB C 4 69.430 68.347 1.083 1
1 47 . 18 1 1 A 4 4 THR N N 4 116.200 119.765 -3.565 1
1 48 . 18 1 1 A 5 5 VAL H H 5 8.955 8.793 0.162 1
1 49 . 18 1 1 A 5 5 VAL HA H 5 4.683 4.555 0.128 1
1 57 . 18 1 1 A 5 5 VAL C C 5 176.470 175.780 0.690 1
1 58 . 18 1 1 A 5 5 VAL CA C 5 60.724 61.190 -0.466 1
1 59 . 18 1 1 A 5 5 VAL CB C 5 33.590 33.144 0.446 1
1 62 . 18 1 1 A 5 5 VAL N N 5 126.000 127.413 -1.413 1
1 63 . 18 1 1 A 6 6 ASN H H 6 9.534 9.660 -0.126 1
1 64 . 18 1 1 A 6 6 ASN HA H 6 4.636 4.489 0.147 1
1 69 . 18 1 1 A 6 6 ASN C C 6 175.900 175.507 0.393 1
1 70 . 18 1 1 A 6 6 ASN CA C 6 54.150 54.584 -0.434 1
1 71 . 18 1 1 A 6 6 ASN CB C 6 36.410 37.035 -0.625 1
1 72 . 18 1 1 A 6 6 ASN N N 6 129.400 127.688 1.712 1
1 74 . 18 1 1 A 7 7 GLY H H 7 8.915 8.205 0.710 1
1 75 . 18 1 1 A 7 7 GLY HA2 H 7 4.170 3.855 0.315 1
1 76 . 18 1 1 A 7 7 GLY HA3 H 7 3.485 3.855 -0.370 1
1 77 . 18 1 1 A 7 7 GLY C C 7 173.950 173.768 0.182 1
1 78 . 18 1 1 A 7 7 GLY CA C 7 45.337 45.406 -0.069 1
1 79 . 18 1 1 A 7 7 GLY N N 7 102.200 104.730 -2.530 1
1 80 . 18 1 1 A 8 8 LYS H H 8 7.900 7.961 -0.061 1
1 81 . 18 1 1 A 8 8 LYS HA H 8 4.987 4.541 0.446 1
1 90 . 18 1 1 A 8 8 LYS CA C 8 52.940 52.710 0.230 1
1 91 . 18 1 1 A 8 8 LYS CB C 8 34.010 33.168 0.842 1
1 95 . 18 1 1 A 8 8 LYS N N 8 121.700 121.367 0.333 1
1 96 . 18 1 1 A 9 9 PRO HA H 9 4.700 4.485 0.215 1
1 103 . 18 1 1 A 9 9 PRO C C 9 176.900 176.006 0.894 1
1 104 . 18 1 1 A 9 9 PRO CA C 9 63.990 62.891 1.099 1
1 105 . 18 1 1 A 9 9 PRO CB C 9 32.000 31.525 0.475 1
1 108 . 18 1 1 A 10 10 SER H H 10 8.970 9.078 -0.108 1
1 109 . 18 1 1 A 10 10 SER HA H 10 4.822 4.845 -0.023 1
1 112 . 18 1 1 A 10 10 SER C C 10 172.800 173.578 -0.778 1
1 113 . 18 1 1 A 10 10 SER CA C 10 57.880 57.989 -0.109 1
1 114 . 18 1 1 A 10 10 SER CB C 10 66.361 63.707 2.654 1
1 115 . 18 1 1 A 10 10 SER N N 10 120.300 120.267 0.033 1
1 116 . 18 1 1 A 11 11 THR H H 11 8.590 8.899 -0.309 1
1 117 . 18 1 1 A 11 11 THR HA H 11 5.163 4.592 0.571 1
1 122 . 18 1 1 A 11 11 THR C C 11 173.720 173.553 0.167 1
1 123 . 18 1 1 A 11 11 THR CA C 11 61.380 62.523 -1.143 1
1 124 . 18 1 1 A 11 11 THR CB C 11 71.950 68.150 3.800 1
1 126 . 18 1 1 A 11 11 THR N N 11 120.191 122.626 -2.435 1
1 127 . 18 1 1 A 12 12 VAL H H 12 8.563 8.453 0.110 1
1 128 . 18 1 1 A 12 12 VAL HA H 12 4.172 4.671 -0.499 1
1 136 . 18 1 1 A 12 12 VAL C C 12 175.380 174.329 1.051 1
1 137 . 18 1 1 A 12 12 VAL CA C 12 61.350 60.996 0.354 1
1 138 . 18 1 1 A 12 12 VAL CB C 12 33.053 32.654 0.399 1
1 141 . 18 1 1 A 12 12 VAL N N 12 125.000 123.263 1.737 1
1 142 . 18 1 1 A 13 13 ASP H H 13 8.878 8.783 0.095 1
1 143 . 18 1 1 A 13 13 ASP HA H 13 4.501 4.276 0.225 1
1 146 . 18 1 1 A 13 13 ASP C C 13 177.180 176.942 0.238 1
1 147 . 18 1 1 A 13 13 ASP CA C 13 55.120 55.530 -0.410 1
1 148 . 18 1 1 A 13 13 ASP CB C 13 41.450 40.921 0.529 1
1 149 . 18 1 1 A 13 13 ASP N N 13 128.300 127.908 0.392 1
1 150 . 18 1 1 A 14 14 GLY H H 14 8.697 8.862 -0.165 1
1 151 . 18 1 1 A 14 14 GLY HA2 H 14 4.076 3.970 0.106 1
1 152 . 18 1 1 A 14 14 GLY HA3 H 14 3.719 3.979 -0.260 1
1 153 . 18 1 1 A 14 14 GLY C C 14 173.244 173.513 -0.269 1
1 154 . 18 1 1 A 14 14 GLY CA C 14 45.887 44.959 0.928 1
1 155 . 18 1 1 A 14 14 GLY N N 14 109.900 113.883 -3.983 1
1 156 . 18 1 1 A 15 15 ALA H H 15 7.360 7.623 -0.263 1
1 157 . 18 1 1 A 15 15 ALA HA H 15 4.601 4.443 0.158 1
1 161 . 18 1 1 A 15 15 ALA C C 15 176.240 176.988 -0.748 1
1 162 . 18 1 1 A 15 15 ALA CA C 15 51.370 51.113 0.257 1
1 163 . 18 1 1 A 15 15 ALA CB C 15 20.970 20.386 0.584 1
1 164 . 18 1 1 A 15 15 ALA N N 15 121.213 122.306 -1.093 1
1 165 . 18 1 1 A 16 16 GLU H H 16 8.967 9.043 -0.076 1
1 166 . 18 1 1 A 16 16 GLU HA H 16 4.406 4.276 0.130 1
1 171 . 18 1 1 A 16 16 GLU C C 16 175.800 176.285 -0.485 1
1 172 . 18 1 1 A 16 16 GLU CA C 16 57.170 58.415 -1.245 1
1 173 . 18 1 1 A 16 16 GLU CB C 16 30.700 30.111 0.589 1
1 175 . 18 1 1 A 16 16 GLU N N 16 120.800 124.953 -4.153 1
1 176 . 18 1 1 A 17 17 SER H H 17 7.587 7.768 -0.181 1
1 177 . 18 1 1 A 17 17 SER HA H 17 4.891 4.864 0.027 1
1 180 . 18 1 1 A 17 17 SER C C 17 172.400 172.575 -0.175 1
1 181 . 18 1 1 A 17 17 SER CA C 17 57.797 57.450 0.347 1
1 182 . 18 1 1 A 17 17 SER CB C 17 64.571 65.391 -0.820 1
1 183 . 18 1 1 A 17 17 SER N N 17 111.600 110.278 1.322 1
1 184 . 18 1 1 A 18 18 LEU H H 18 8.285 8.872 -0.587 1
1 185 . 18 1 1 A 18 18 LEU HA H 18 4.810 4.901 -0.091 1
1 195 . 18 1 1 A 18 18 LEU C C 18 175.800 175.449 0.351 1
1 196 . 18 1 1 A 18 18 LEU CA C 18 54.230 53.621 0.609 1
1 197 . 18 1 1 A 18 18 LEU CB C 18 47.430 45.396 2.034 1
1 201 . 18 1 1 A 18 18 LEU N N 18 122.165 121.154 1.011 1
1 202 . 18 1 1 A 19 19 ASN H H 19 8.920 8.800 0.120 1
1 203 . 18 1 1 A 19 19 ASN HA H 19 5.768 5.128 0.640 1
1 208 . 18 1 1 A 19 19 ASN C C 19 176.170 177.033 -0.863 1
1 209 . 18 1 1 A 19 19 ASN CA C 19 51.650 53.367 -1.717 1
1 210 . 18 1 1 A 19 19 ASN CB C 19 38.430 39.743 -1.313 1
1 211 . 18 1 1 A 19 19 ASN N N 19 118.700 118.705 -0.005 1
1 213 . 18 1 1 A 20 20 VAL H H 20 7.805 8.675 -0.870 1
1 214 . 18 1 1 A 20 20 VAL HA H 20 3.297 3.561 -0.264 1
1 222 . 18 1 1 A 20 20 VAL C C 20 176.770 177.429 -0.659 1
1 223 . 18 1 1 A 20 20 VAL CA C 20 67.360 66.091 1.269 1
1 224 . 18 1 1 A 20 20 VAL CB C 20 30.940 31.308 -0.368 1
1 227 . 18 1 1 A 20 20 VAL N N 20 117.900 122.456 -4.556 1
1 228 . 18 1 1 A 21 21 THR H H 21 7.230 8.373 -1.143 1
1 229 . 18 1 1 A 21 21 THR HA H 21 3.665 3.953 -0.288 1
1 234 . 18 1 1 A 21 21 THR C C 21 177.360 176.272 1.088 1
1 235 . 18 1 1 A 21 21 THR CA C 21 67.077 67.082 -0.005 1
1 236 . 18 1 1 A 21 21 THR CB C 21 68.460 68.783 -0.323 1
1 238 . 18 1 1 A 21 21 THR N N 21 117.400 117.029 0.371 1
1 239 . 18 1 1 A 22 22 GLU H H 22 8.750 8.469 0.281 1
1 240 . 18 1 1 A 22 22 GLU HA H 22 4.046 3.987 0.059 1
1 245 . 18 1 1 A 22 22 GLU C C 22 179.910 179.166 0.744 1
1 246 . 18 1 1 A 22 22 GLU CA C 22 58.550 59.324 -0.774 1
1 247 . 18 1 1 A 22 22 GLU CB C 22 30.550 29.259 1.291 1
1 249 . 18 1 1 A 22 22 GLU N N 22 121.238 119.501 1.737 1
1 250 . 18 1 1 A 23 23 LEU H H 23 8.766 8.090 0.676 1
1 251 . 18 1 1 A 23 23 LEU HA H 23 3.935 3.999 -0.064 1
1 261 . 18 1 1 A 23 23 LEU C C 23 177.800 178.259 -0.459 1
1 262 . 18 1 1 A 23 23 LEU CA C 23 58.240 58.202 0.038 1
1 263 . 18 1 1 A 23 23 LEU CB C 23 41.844 41.886 -0.042 1
1 267 . 18 1 1 A 23 23 LEU N N 23 123.900 122.179 1.721 1
1 268 . 18 1 1 A 24 24 LEU H H 24 8.305 8.369 -0.064 1
1 269 . 18 1 1 A 24 24 LEU HA H 24 3.690 4.097 -0.407 1
1 279 . 18 1 1 A 24 24 LEU C C 24 179.620 179.495 0.125 1
1 280 . 18 1 1 A 24 24 LEU CA C 24 58.010 57.773 0.237 1
1 281 . 18 1 1 A 24 24 LEU CB C 24 41.320 40.816 0.504 1
1 285 . 18 1 1 A 24 24 LEU N N 24 117.100 118.701 -1.601 1
1 286 . 18 1 1 A 25 25 SER H H 25 7.226 8.173 -0.947 1
1 287 . 18 1 1 A 25 25 SER HA H 25 4.304 4.186 0.118 1
1 290 . 18 1 1 A 25 25 SER C C 25 178.100 177.190 0.910 1
1 291 . 18 1 1 A 25 25 SER CA C 25 60.900 61.510 -0.610 1
1 292 . 18 1 1 A 25 25 SER CB C 25 62.850 62.912 -0.062 1
1 293 . 18 1 1 A 25 25 SER N N 25 111.500 114.561 -3.061 1
1 294 . 18 1 1 A 26 26 ALA H H 26 8.712 8.187 0.525 1
1 295 . 18 1 1 A 26 26 ALA HA H 26 4.138 4.143 -0.005 1
1 299 . 18 1 1 A 26 26 ALA C C 26 180.000 180.389 -0.389 1
1 300 . 18 1 1 A 26 26 ALA CA C 26 55.180 54.939 0.241 1
1 301 . 18 1 1 A 26 26 ALA CB C 26 18.200 18.418 -0.218 1
1 302 . 18 1 1 A 26 26 ALA N N 26 126.100 123.823 2.277 1
1 303 . 18 1 1 A 27 27 LEU H H 27 8.050 7.622 0.428 1
1 304 . 18 1 1 A 27 27 LEU HA H 27 4.314 4.153 0.161 1
1 314 . 18 1 1 A 27 27 LEU C C 27 175.810 176.484 -0.674 1
1 315 . 18 1 1 A 27 27 LEU CA C 27 54.307 56.103 -1.796 1
1 316 . 18 1 1 A 27 27 LEU CB C 27 42.021 42.387 -0.366 1
1 320 . 18 1 1 A 27 27 LEU N N 27 114.250 117.932 -3.682 1
1 321 . 18 1 1 A 28 28 LYS H H 28 7.766 7.850 -0.084 1
1 322 . 18 1 1 A 28 28 LYS HA H 28 3.869 3.949 -0.080 1
1 331 . 18 1 1 A 28 28 LYS C C 28 176.030 175.146 0.884 1
1 332 . 18 1 1 A 28 28 LYS CA C 28 56.630 57.685 -1.055 1
1 333 . 18 1 1 A 28 28 LYS CB C 28 28.893 29.368 -0.475 1
1 337 . 18 1 1 A 28 28 LYS N N 28 117.700 115.998 1.702 1
1 338 . 18 1 1 A 29 29 VAL H H 29 7.583 7.823 -0.240 1
1 339 . 18 1 1 A 29 29 VAL HA H 29 3.520 4.184 -0.664 1
1 347 . 18 1 1 A 29 29 VAL C C 29 176.410 177.219 -0.809 1
1 348 . 18 1 1 A 29 29 VAL CA C 29 63.741 62.690 1.051 1
1 349 . 18 1 1 A 29 29 VAL CB C 29 31.840 32.733 -0.893 1
1 352 . 18 1 1 A 29 29 VAL N N 29 119.200 120.440 -1.240 1
1 353 . 18 1 1 A 30 30 ALA H H 30 8.543 8.910 -0.367 1
1 354 . 18 1 1 A 30 30 ALA HA H 30 4.215 4.261 -0.046 1
1 358 . 18 1 1 A 30 30 ALA C C 30 177.710 177.556 0.154 1
1 359 . 18 1 1 A 30 30 ALA CA C 30 52.330 53.767 -1.437 1
1 360 . 18 1 1 A 30 30 ALA CB C 30 19.170 19.036 0.134 1
1 361 . 18 1 1 A 30 30 ALA N N 30 131.100 130.414 0.686 1
1 362 . 18 1 1 A 31 31 GLN H H 31 8.982 7.866 1.116 1
1 363 . 18 1 1 A 31 31 GLN HA H 31 4.162 4.956 -0.794 1
1 370 . 18 1 1 A 31 31 GLN C C 31 176.670 175.943 0.727 1
1 371 . 18 1 1 A 31 31 GLN CA C 31 56.100 55.521 0.579 1
1 372 . 18 1 1 A 31 31 GLN CB C 31 27.390 29.362 -1.972 1
1 374 . 18 1 1 A 31 31 GLN N N 31 117.300 116.423 0.877 1
1 376 . 18 1 1 A 32 32 ALA H H 32 8.029 8.025 0.004 1
1 377 . 18 1 1 A 32 32 ALA HA H 32 3.738 4.079 -0.341 1
1 381 . 18 1 1 A 32 32 ALA C C 32 178.700 180.000 -1.300 1
1 382 . 18 1 1 A 32 32 ALA CA C 32 55.010 54.943 0.067 1
1 383 . 18 1 1 A 32 32 ALA CB C 32 18.647 18.406 0.241 1
1 384 . 18 1 1 A 32 32 ALA N N 32 119.900 122.979 -3.079 1
1 385 . 18 1 1 A 33 33 GLU H H 33 9.338 7.799 1.539 1
1 386 . 18 1 1 A 33 33 GLU HA H 33 4.037 3.756 0.281 1
1 391 . 18 1 1 A 33 33 GLU C C 33 176.370 176.901 -0.531 1
1 392 . 18 1 1 A 33 33 GLU CA C 33 58.280 58.080 0.200 1
1 393 . 18 1 1 A 33 33 GLU CB C 33 28.670 28.914 -0.244 1
1 395 . 18 1 1 A 33 33 GLU N N 33 116.800 119.051 -2.251 1
1 396 . 18 1 1 A 34 34 TYR H H 34 8.063 7.920 0.143 1
1 397 . 18 1 1 A 34 34 TYR HA H 34 4.820 4.728 0.092 1
1 404 . 18 1 1 A 34 34 TYR C C 34 175.460 174.616 0.844 1
1 405 . 18 1 1 A 34 34 TYR CA C 34 56.800 57.602 -0.802 1
1 406 . 18 1 1 A 34 34 TYR CB C 34 39.810 38.881 0.929 1
1 411 . 18 1 1 A 34 34 TYR N N 34 116.100 117.664 -1.564 1
1 412 . 18 1 1 A 35 35 VAL H H 35 7.330 7.260 0.070 1
1 413 . 18 1 1 A 35 35 VAL HA H 35 4.689 3.269 1.420 1
1 421 . 18 1 1 A 35 35 VAL C C 35 173.700 174.571 -0.871 1
1 422 . 18 1 1 A 35 35 VAL CA C 35 61.550 58.792 2.758 1
1 423 . 18 1 1 A 35 35 VAL CB C 35 33.650 33.990 -0.340 1
1 426 . 18 1 1 A 35 35 VAL N N 35 121.200 119.663 1.537 1
1 427 . 18 1 1 A 36 36 THR H H 36 8.879 7.641 1.238 1
1 428 . 18 1 1 A 36 36 THR HA H 36 4.696 4.306 0.390 1
1 433 . 18 1 1 A 36 36 THR C C 36 172.930 173.773 -0.843 1
1 434 . 18 1 1 A 36 36 THR CA C 36 62.300 61.978 0.322 1
1 435 . 18 1 1 A 36 36 THR CB C 36 70.500 67.383 3.117 1
1 437 . 18 1 1 A 36 36 THR N N 36 126.800 123.110 3.690 1
1 438 . 18 1 1 A 37 37 VAL H H 37 9.616 8.320 1.296 1
1 439 . 18 1 1 A 37 37 VAL HA H 37 5.072 4.838 0.234 1
1 447 . 18 1 1 A 37 37 VAL C C 37 174.820 175.063 -0.243 1
1 448 . 18 1 1 A 37 37 VAL CA C 37 59.440 60.813 -1.373 1
1 449 . 18 1 1 A 37 37 VAL CB C 37 35.270 32.982 2.288 1
1 452 . 18 1 1 A 37 37 VAL N N 37 127.600 122.454 5.146 1
1 453 . 18 1 1 A 38 38 GLU H H 38 8.934 8.914 0.020 1
1 454 . 18 1 1 A 38 38 GLU HA H 38 5.059 5.096 -0.037 1
1 459 . 18 1 1 A 38 38 GLU C C 38 174.850 174.871 -0.021 1
1 460 . 18 1 1 A 38 38 GLU CA C 38 53.989 54.892 -0.903 1
1 461 . 18 1 1 A 38 38 GLU CB C 38 32.599 32.000 0.599 1
1 463 . 18 1 1 A 38 38 GLU N N 38 126.700 125.012 1.688 1
1 464 . 18 1 1 A 39 39 LEU H H 39 9.004 8.699 0.305 1
1 465 . 18 1 1 A 39 39 LEU HA H 39 5.082 4.408 0.674 1
1 474 . 18 1 1 A 39 39 LEU C C 39 175.890 177.279 -1.389 1
1 475 . 18 1 1 A 39 39 LEU CA C 39 53.030 54.839 -1.809 1
1 476 . 18 1 1 A 39 39 LEU CB C 39 45.640 42.687 2.953 1
1 479 . 18 1 1 A 39 39 LEU N N 39 128.700 127.129 1.571 1
1 480 . 18 1 1 A 40 40 ASN H H 40 10.210 9.863 0.347 1
1 481 . 18 1 1 A 40 40 ASN HA H 40 4.495 4.467 0.028 1
1 486 . 18 1 1 A 40 40 ASN C C 40 175.620 175.265 0.355 1
1 487 . 18 1 1 A 40 40 ASN CA C 40 54.540 54.414 0.126 1
1 488 . 18 1 1 A 40 40 ASN CB C 40 37.280 36.917 0.363 1
1 489 . 18 1 1 A 40 40 ASN N N 40 128.749 125.696 3.053 1
1 491 . 18 1 1 A 41 41 GLY H H 41 8.913 8.386 0.527 1
1 492 . 18 1 1 A 41 41 GLY HA2 H 41 4.162 3.952 0.210 1
1 493 . 18 1 1 A 41 41 GLY HA3 H 41 3.625 3.956 -0.331 1
1 494 . 18 1 1 A 41 41 GLY C C 41 173.380 173.591 -0.211 1
1 495 . 18 1 1 A 41 41 GLY CA C 41 45.220 45.363 -0.143 1
1 496 . 18 1 1 A 41 41 GLY N N 41 102.811 105.062 -2.251 1
1 497 . 18 1 1 A 42 42 GLU H H 42 7.716 7.645 0.071 1
1 498 . 18 1 1 A 42 42 GLU HA H 42 4.655 4.822 -0.167 1
1 503 . 18 1 1 A 42 42 GLU C C 42 175.300 175.501 -0.201 1
1 504 . 18 1 1 A 42 42 GLU CA C 42 54.190 55.063 -0.873 1
1 505 . 18 1 1 A 42 42 GLU CB C 42 31.770 32.596 -0.826 1
1 507 . 18 1 1 A 42 42 GLU N N 42 120.731 120.050 0.681 1
1 508 . 18 1 1 A 43 43 VAL H H 43 8.872 8.597 0.275 1
1 509 . 18 1 1 A 43 43 VAL HA H 43 4.025 4.268 -0.243 1
1 517 . 18 1 1 A 43 43 VAL C C 43 176.260 175.900 0.360 1
1 518 . 18 1 1 A 43 43 VAL CA C 43 64.110 62.832 1.278 1
1 519 . 18 1 1 A 43 43 VAL CB C 43 31.500 32.980 -1.480 1
1 522 . 18 1 1 A 43 43 VAL N N 43 126.800 127.713 -0.913 1
1 523 . 18 1 1 A 44 44 LEU H H 44 8.810 8.204 0.606 1
1 524 . 18 1 1 A 44 44 LEU HA H 44 4.656 4.719 -0.063 1
1 534 . 18 1 1 A 44 44 LEU C C 44 177.620 176.355 1.265 1
1 535 . 18 1 1 A 44 44 LEU CA C 44 53.750 53.509 0.241 1
1 536 . 18 1 1 A 44 44 LEU CB C 44 44.080 43.257 0.823 1
1 540 . 18 1 1 A 44 44 LEU N N 44 129.200 128.102 1.098 1
1 541 . 18 1 1 A 45 45 GLU H H 45 8.742 8.636 0.106 1
1 542 . 18 1 1 A 45 45 GLU HA H 45 4.465 4.424 0.041 1
1 547 . 18 1 1 A 45 45 GLU C C 45 177.440 177.873 -0.433 1
1 548 . 18 1 1 A 45 45 GLU CA C 45 55.270 56.437 -1.167 1
1 549 . 18 1 1 A 45 45 GLU CB C 45 29.830 31.702 -1.872 1
1 551 . 18 1 1 A 45 45 GLU N N 45 122.500 124.856 -2.356 1
1 552 . 18 1 1 A 46 46 ARG H H 46 8.674 8.755 -0.081 1
1 553 . 18 1 1 A 46 46 ARG HA H 46 2.384 3.481 -1.097 1
1 560 . 18 1 1 A 46 46 ARG C C 46 179.080 178.617 0.463 1
1 561 . 18 1 1 A 46 46 ARG CA C 46 58.150 59.573 -1.423 1
1 562 . 18 1 1 A 46 46 ARG CB C 46 29.050 29.758 -0.708 1
1 565 . 18 1 1 A 46 46 ARG N N 46 124.600 125.043 -0.443 1
1 566 . 18 1 1 A 47 47 GLU H H 47 9.010 8.180 0.830 1
1 567 . 18 1 1 A 47 47 GLU HA H 47 4.008 4.110 -0.102 1
1 572 . 18 1 1 A 47 47 GLU C C 47 176.700 179.003 -2.303 1
1 573 . 18 1 1 A 47 47 GLU CA C 47 58.720 59.305 -0.585 1
1 574 . 18 1 1 A 47 47 GLU CB C 47 28.590 29.335 -0.745 1
1 576 . 18 1 1 A 47 47 GLU N N 47 117.300 118.992 -1.692 1
1 577 . 18 1 1 A 48 48 ALA H H 48 8.011 7.847 0.164 1
1 578 . 18 1 1 A 48 48 ALA HA H 48 4.749 4.174 0.575 1
1 582 . 18 1 1 A 48 48 ALA C C 48 180.070 179.919 0.151 1
1 583 . 18 1 1 A 48 48 ALA CA C 48 51.780 54.959 -3.179 1
1 584 . 18 1 1 A 48 48 ALA CB C 48 19.390 18.326 1.064 1
1 585 . 18 1 1 A 48 48 ALA N N 48 120.200 121.928 -1.728 1
1 586 . 18 1 1 A 49 49 PHE H H 49 8.002 7.976 0.026 1
1 587 . 18 1 1 A 49 49 PHE HA H 49 4.305 4.364 -0.059 1
1 594 . 18 1 1 A 49 49 PHE C C 49 177.710 178.267 -0.557 1
1 595 . 18 1 1 A 49 49 PHE CA C 49 59.969 61.222 -1.253 1
1 596 . 18 1 1 A 49 49 PHE CB C 49 36.820 38.308 -1.488 1
1 601 . 18 1 1 A 49 49 PHE N N 49 123.801 116.555 7.246 1
1 602 . 18 1 1 A 50 50 ASP H H 50 8.558 7.991 0.567 1
1 603 . 18 1 1 A 50 50 ASP HA H 50 4.561 4.417 0.144 1
1 606 . 18 1 1 A 50 50 ASP C C 50 176.610 177.552 -0.942 1
1 607 . 18 1 1 A 50 50 ASP CA C 50 56.100 56.909 -0.809 1
1 608 . 18 1 1 A 50 50 ASP CB C 50 40.350 40.727 -0.377 1
1 609 . 18 1 1 A 50 50 ASP N N 50 115.500 118.458 -2.958 1
1 610 . 18 1 1 A 51 51 ALA H H 51 7.539 7.092 0.447 1
1 611 . 18 1 1 A 51 51 ALA HA H 51 4.498 4.297 0.201 1
1 615 . 18 1 1 A 51 51 ALA C C 51 177.370 176.970 0.400 1
1 616 . 18 1 1 A 51 51 ALA CA C 51 51.850 52.918 -1.068 1
1 617 . 18 1 1 A 51 51 ALA CB C 51 20.280 19.800 0.480 1
1 618 . 18 1 1 A 51 51 ALA N N 51 119.500 120.084 -0.584 1
1 619 . 18 1 1 A 52 52 THR H H 52 7.503 7.854 -0.351 1
1 620 . 18 1 1 A 52 52 THR HA H 52 4.376 4.653 -0.277 1
1 625 . 18 1 1 A 52 52 THR C C 52 172.780 173.788 -1.008 1
1 626 . 18 1 1 A 52 52 THR CA C 52 63.450 61.524 1.926 1
1 627 . 18 1 1 A 52 52 THR CB C 52 69.910 70.171 -0.261 1
1 629 . 18 1 1 A 52 52 THR N N 52 117.700 113.399 4.301 1
1 630 . 18 1 1 A 53 53 THR H H 53 8.354 9.052 -0.698 1
1 631 . 18 1 1 A 53 53 THR HA H 53 4.521 4.897 -0.376 1
1 636 . 18 1 1 A 53 53 THR C C 53 173.000 173.730 -0.730 1
1 637 . 18 1 1 A 53 53 THR CA C 53 62.110 62.047 0.063 1
1 638 . 18 1 1 A 53 53 THR CB C 53 70.380 69.350 1.030 1
1 640 . 18 1 1 A 53 53 THR N N 53 120.700 123.446 -2.746 1
1 641 . 18 1 1 A 54 54 VAL H H 54 9.223 8.962 0.261 1
1 642 . 18 1 1 A 54 54 VAL HA H 54 4.256 4.364 -0.108 1
1 650 . 18 1 1 A 54 54 VAL C C 54 173.500 175.493 -1.993 1
1 651 . 18 1 1 A 54 54 VAL CA C 54 61.330 62.319 -0.989 1
1 652 . 18 1 1 A 54 54 VAL CB C 54 33.090 31.568 1.522 1
1 655 . 18 1 1 A 54 54 VAL N N 54 126.200 127.518 -1.318 1
1 656 . 18 1 1 A 55 55 LYS H H 55 9.074 8.862 0.212 1
1 657 . 18 1 1 A 55 55 LYS HA H 55 4.847 5.010 -0.163 1
1 666 . 18 1 1 A 55 55 LYS C C 55 174.610 174.647 -0.037 1
1 667 . 18 1 1 A 55 55 LYS CA C 55 54.265 53.900 0.365 1
1 668 . 18 1 1 A 55 55 LYS CB C 55 36.111 35.596 0.515 1
1 672 . 18 1 1 A 55 55 LYS N N 55 124.700 124.107 0.593 1
1 673 . 18 1 1 A 56 56 ASP H H 56 8.111 8.536 -0.425 1
1 674 . 18 1 1 A 56 56 ASP HA H 56 4.553 4.251 0.302 1
1 677 . 18 1 1 A 56 56 ASP C C 56 177.720 177.345 0.375 1
1 678 . 18 1 1 A 56 56 ASP CA C 56 56.040 55.859 0.181 1
1 679 . 18 1 1 A 56 56 ASP CB C 56 43.070 40.345 2.725 1
1 680 . 18 1 1 A 56 56 ASP N N 56 116.700 122.275 -5.575 1
1 681 . 18 1 1 A 57 57 GLY H H 57 9.330 8.784 0.546 1
1 682 . 18 1 1 A 57 57 GLY HA2 H 57 4.343 3.898 0.445 1
1 683 . 18 1 1 A 57 57 GLY HA3 H 57 3.652 3.898 -0.246 1
1 684 . 18 1 1 A 57 57 GLY C C 57 175.140 173.177 1.963 1
1 685 . 18 1 1 A 57 57 GLY CA C 57 44.869 46.537 -1.668 1
1 686 . 18 1 1 A 57 57 GLY N N 57 113.900 113.250 0.650 1
1 687 . 18 1 1 A 58 58 ASP H H 58 8.104 7.817 0.287 1
1 688 . 18 1 1 A 58 58 ASP HA H 58 4.808 5.098 -0.290 1
1 691 . 18 1 1 A 58 58 ASP C C 58 174.100 174.119 -0.019 1
1 692 . 18 1 1 A 58 58 ASP CA C 58 55.700 52.251 3.449 1
1 693 . 18 1 1 A 58 58 ASP CB C 58 42.080 43.490 -1.410 1
1 694 . 18 1 1 A 58 58 ASP N N 58 122.600 120.067 2.533 1
1 695 . 18 1 1 A 59 59 ALA H H 59 8.326 8.648 -0.322 1
1 696 . 18 1 1 A 59 59 ALA HA H 59 5.208 5.084 0.124 1
1 700 . 18 1 1 A 59 59 ALA C C 59 174.350 175.348 -0.998 1
1 701 . 18 1 1 A 59 59 ALA CA C 59 50.110 51.441 -1.331 1
1 702 . 18 1 1 A 59 59 ALA CB C 59 20.760 20.447 0.313 1
1 703 . 18 1 1 A 59 59 ALA N N 59 121.100 123.025 -1.925 1
1 704 . 18 1 1 A 60 60 VAL H H 60 9.061 9.047 0.014 1
1 705 . 18 1 1 A 60 60 VAL HA H 60 4.117 4.824 -0.707 1
1 713 . 18 1 1 A 60 60 VAL C C 60 174.300 174.345 -0.045 1
1 714 . 18 1 1 A 60 60 VAL CA C 60 61.830 60.464 1.366 1
1 715 . 18 1 1 A 60 60 VAL CB C 60 33.640 34.065 -0.425 1
1 718 . 18 1 1 A 60 60 VAL N N 60 121.800 124.721 -2.921 1
1 719 . 18 1 1 A 61 61 GLU H H 61 9.027 8.784 0.243 1
1 720 . 18 1 1 A 61 61 GLU HA H 61 4.778 4.766 0.012 1
1 725 . 18 1 1 A 61 61 GLU C C 61 176.200 175.343 0.857 1
1 726 . 18 1 1 A 61 61 GLU CA C 61 54.152 56.418 -2.266 1
1 727 . 18 1 1 A 61 61 GLU CB C 61 32.477 30.540 1.937 1
1 729 . 18 1 1 A 61 61 GLU N N 61 123.900 128.773 -4.873 1
1 730 . 18 1 1 A 62 62 PHE H H 62 9.075 8.916 0.159 1
1 731 . 18 1 1 A 62 62 PHE HA H 62 5.317 5.402 -0.085 1
1 739 . 18 1 1 A 62 62 PHE C C 62 174.490 173.917 0.573 1
1 740 . 18 1 1 A 62 62 PHE CA C 62 54.910 55.925 -1.015 1
1 741 . 18 1 1 A 62 62 PHE CB C 62 39.640 40.993 -1.353 1
1 747 . 18 1 1 A 62 62 PHE N N 62 122.000 126.468 -4.468 1
1 748 . 18 1 1 A 63 63 LEU H H 63 8.996 8.449 0.547 1
1 749 . 18 1 1 A 63 63 LEU HA H 63 4.643 4.877 -0.234 1
1 759 . 18 1 1 A 63 63 LEU C C 63 175.030 175.396 -0.366 1
1 760 . 18 1 1 A 63 63 LEU CA C 63 53.630 53.207 0.423 1
1 761 . 18 1 1 A 63 63 LEU CB C 63 44.680 45.212 -0.532 1
1 765 . 18 1 1 A 63 63 LEU N N 63 125.000 122.467 2.533 1
1 766 . 18 1 1 A 64 64 TYR H H 64 8.669 8.211 0.458 1
1 767 . 18 1 1 A 64 64 TYR HA H 64 4.758 3.946 0.812 1
1 774 . 18 1 1 A 64 64 TYR C C 64 175.630 174.457 1.173 1
1 775 . 18 1 1 A 64 64 TYR CA C 64 57.460 59.452 -1.992 1
1 776 . 18 1 1 A 64 64 TYR CB C 64 39.690 35.732 3.958 1
1 781 . 18 1 1 A 64 64 TYR N N 64 120.100 116.899 3.201 1
1 782 . 18 1 1 A 65 65 PHE H H 65 8.688 7.958 0.730 1
1 783 . 18 1 1 A 65 65 PHE HA H 65 4.777 5.079 -0.302 1
1 791 . 18 1 1 A 65 65 PHE C C 65 175.940 174.735 1.205 1
1 792 . 18 1 1 A 65 65 PHE CA C 65 57.325 56.765 0.560 1
1 793 . 18 1 1 A 65 65 PHE CB C 65 39.340 43.116 -3.776 1
1 799 . 18 1 1 A 65 65 PHE N N 65 122.100 119.432 2.668 1
1 800 . 18 1 1 A 66 66 MET H H 66 8.611 8.979 -0.368 1
1 801 . 18 1 1 A 66 66 MET HA H 66 4.537 4.553 -0.016 1
1 806 . 18 1 1 A 66 66 MET C C 66 176.630 176.518 0.112 1
1 807 . 18 1 1 A 66 66 MET CA C 66 55.370 55.539 -0.169 1
1 808 . 18 1 1 A 66 66 MET CB C 66 32.710 33.079 -0.369 1
1 810 . 18 1 1 A 66 66 MET N N 66 121.700 121.200 0.500 1
1 811 . 18 1 1 A 67 67 GLY H H 67 8.213 8.762 -0.549 1
1 812 . 18 1 1 A 67 67 GLY HA2 H 67 3.928 3.923 0.005 1
1 813 . 18 1 1 A 67 67 GLY HA3 H 67 3.928 4.182 -0.254 1
1 814 . 18 1 1 A 67 67 GLY C C 67 174.800 174.845 -0.045 1
1 815 . 18 1 1 A 67 67 GLY CA C 67 45.359 45.626 -0.267 1
1 816 . 18 1 1 A 67 67 GLY N N 67 109.600 114.022 -4.422 1
1 817 . 18 1 1 A 68 68 GLY H H 68 8.353 7.941 0.412 1
1 818 . 18 1 1 A 68 68 GLY HA2 H 68 4.862 4.038 0.824 1
1 819 . 18 1 1 A 68 68 GLY HA3 H 68 4.861 4.048 0.813 1
1 820 . 18 1 1 A 68 68 GLY C C 68 174.760 174.370 0.390 1
1 821 . 18 1 1 A 68 68 GLY CA C 68 45.402 44.812 0.590 1
1 822 . 18 1 1 A 68 68 GLY N N 68 108.600 106.215 2.385 1
1 823 . 18 1 1 A 69 69 GLY H H 69 8.406 8.631 -0.225 1
1 824 . 18 1 1 A 69 69 GLY HA2 H 69 3.953 3.989 -0.036 1
1 825 . 18 1 1 A 69 69 GLY HA3 H 69 3.953 4.010 -0.057 1
1 826 . 18 1 1 A 69 69 GLY C C 69 174.070 173.594 0.476 1
1 827 . 18 1 1 A 69 69 GLY CA C 69 45.242 45.297 -0.055 1
1 828 . 18 1 1 A 69 69 GLY N N 69 109.100 108.133 0.967 1
1 829 . 18 1 1 A 70 70 LYS H H 70 8.153 8.341 -0.188 1
1 830 . 18 1 1 A 70 70 LYS HA H 70 4.255 5.079 -0.824 1
1 839 . 18 1 1 A 70 70 LYS C C 70 176.490 175.382 1.108 1
1 840 . 18 1 1 A 70 70 LYS CA C 70 56.370 54.317 2.053 1
1 841 . 18 1 1 A 70 70 LYS CB C 70 33.130 36.178 -3.048 1
1 845 . 18 1 1 A 70 70 LYS N N 70 120.500 121.570 -1.070 1
1 846 . 18 1 1 A 71 71 LEU H H 71 8.253 9.137 -0.884 1
1 847 . 18 1 1 A 71 71 LEU HA H 71 4.285 4.668 -0.383 1
1 857 . 18 1 1 A 71 71 LEU C C 71 177.110 175.453 1.657 1
1 858 . 18 1 1 A 71 71 LEU CA C 71 55.120 54.217 0.903 1
1 859 . 18 1 1 A 71 71 LEU CB C 71 42.236 40.270 1.966 1
1 863 . 18 1 1 A 71 71 LEU N N 71 122.905 124.994 -2.089 1
1 864 . 18 1 1 A 72 72 GLU H H 72 8.343 7.998 0.345 1
1 865 . 18 1 1 A 72 72 GLU HA H 72 4.238 4.422 -0.184 1
1 870 . 18 1 1 A 72 72 GLU C C 72 176.100 176.329 -0.229 1
1 871 . 18 1 1 A 72 72 GLU CA C 72 56.760 55.202 1.558 1
1 872 . 18 1 1 A 72 72 GLU CB C 72 30.619 28.165 2.454 1
1 874 . 18 1 1 A 72 72 GLU N N 72 121.500 123.172 -1.672 1
1 875 . 18 1 1 A 73 73 HIS H H 73 8.404 8.359 0.045 1
1 876 . 18 1 1 A 73 73 HIS HA H 73 4.593 4.034 0.559 1
1 879 . 18 1 1 A 73 73 HIS C C 73 173.840 174.484 -0.644 1
1 880 . 18 1 1 A 73 73 HIS CA C 73 55.777 56.621 -0.844 1
1 881 . 18 1 1 A 73 73 HIS CB C 73 30.080 27.752 2.328 1
1 882 . 18 1 1 A 73 73 HIS N N 73 119.733 122.648 -2.915 1
1 883 . 18 1 1 A 74 74 HIS H H 74 8.213 7.312 0.901 1
1 884 . 18 1 1 A 74 74 HIS CA C 74 57.175 55.563 1.612 1
1 885 . 18 1 1 A 74 74 HIS CB C 74 30.671 30.963 -0.292 1
1 9 . 19 1 1 A 2 2 ASN H H 2 9.645 8.725 0.920 1
1 10 . 19 1 1 A 2 2 ASN HA H 2 5.430 5.062 0.368 1
1 15 . 19 1 1 A 2 2 ASN CA C 2 52.761 52.825 -0.064 1
1 16 . 19 1 1 A 2 2 ASN CB C 2 40.140 39.549 0.591 1
1 17 . 19 1 1 A 2 2 ASN N N 2 125.300 120.010 5.290 1
1 19 . 19 1 1 A 3 3 LEU H H 3 8.769 9.200 -0.431 1
1 20 . 19 1 1 A 3 3 LEU HA H 3 4.949 5.047 -0.098 1
1 30 . 19 1 1 A 3 3 LEU C C 3 176.320 175.952 0.368 1
1 31 . 19 1 1 A 3 3 LEU CA C 3 54.223 53.122 1.101 1
1 32 . 19 1 1 A 3 3 LEU CB C 3 45.941 45.348 0.593 1
1 36 . 19 1 1 A 3 3 LEU N N 3 121.800 125.332 -3.532 1
1 37 . 19 1 1 A 4 4 THR H H 4 8.329 8.723 -0.394 1
1 38 . 19 1 1 A 4 4 THR HA H 4 4.744 5.035 -0.291 1
1 43 . 19 1 1 A 4 4 THR C C 4 173.650 173.455 0.195 1
1 44 . 19 1 1 A 4 4 THR CA C 4 62.150 61.523 0.627 1
1 45 . 19 1 1 A 4 4 THR CB C 4 69.430 72.281 -2.851 1
1 47 . 19 1 1 A 4 4 THR N N 4 116.200 115.795 0.405 1
1 48 . 19 1 1 A 5 5 VAL H H 5 8.955 8.897 0.058 1
1 49 . 19 1 1 A 5 5 VAL HA H 5 4.683 4.557 0.126 1
1 57 . 19 1 1 A 5 5 VAL C C 5 176.470 176.446 0.024 1
1 58 . 19 1 1 A 5 5 VAL CA C 5 60.724 61.030 -0.306 1
1 59 . 19 1 1 A 5 5 VAL CB C 5 33.590 34.167 -0.577 1
1 62 . 19 1 1 A 5 5 VAL N N 5 126.000 125.911 0.089 1
1 63 . 19 1 1 A 6 6 ASN H H 6 9.534 9.508 0.026 1
1 64 . 19 1 1 A 6 6 ASN HA H 6 4.636 4.509 0.127 1
1 69 . 19 1 1 A 6 6 ASN C C 6 175.900 175.598 0.302 1
1 70 . 19 1 1 A 6 6 ASN CA C 6 54.150 54.740 -0.590 1
1 71 . 19 1 1 A 6 6 ASN CB C 6 36.410 37.333 -0.923 1
1 72 . 19 1 1 A 6 6 ASN N N 6 129.400 128.727 0.673 1
1 74 . 19 1 1 A 7 7 GLY H H 7 8.915 8.242 0.673 1
1 75 . 19 1 1 A 7 7 GLY HA2 H 7 4.170 3.874 0.296 1
1 76 . 19 1 1 A 7 7 GLY HA3 H 7 3.485 3.874 -0.389 1
1 77 . 19 1 1 A 7 7 GLY C C 7 173.950 173.680 0.270 1
1 78 . 19 1 1 A 7 7 GLY CA C 7 45.337 45.416 -0.079 1
1 79 . 19 1 1 A 7 7 GLY N N 7 102.200 104.066 -1.866 1
1 80 . 19 1 1 A 8 8 LYS H H 8 7.900 7.737 0.163 1
1 81 . 19 1 1 A 8 8 LYS HA H 8 4.987 4.539 0.448 1
1 90 . 19 1 1 A 8 8 LYS CA C 8 52.940 52.830 0.110 1
1 91 . 19 1 1 A 8 8 LYS CB C 8 34.010 33.032 0.978 1
1 95 . 19 1 1 A 8 8 LYS N N 8 121.700 121.306 0.394 1
1 96 . 19 1 1 A 9 9 PRO HA H 9 4.700 4.788 -0.088 1
1 103 . 19 1 1 A 9 9 PRO C C 9 176.900 175.416 1.484 1
1 104 . 19 1 1 A 9 9 PRO CA C 9 63.990 63.045 0.945 1
1 105 . 19 1 1 A 9 9 PRO CB C 9 32.000 32.790 -0.790 1
1 108 . 19 1 1 A 10 10 SER H H 10 8.970 9.222 -0.252 1
1 109 . 19 1 1 A 10 10 SER HA H 10 4.822 4.736 0.086 1
1 112 . 19 1 1 A 10 10 SER C C 10 172.800 172.635 0.165 1
1 113 . 19 1 1 A 10 10 SER CA C 10 57.880 57.261 0.619 1
1 114 . 19 1 1 A 10 10 SER CB C 10 66.361 64.603 1.758 1
1 115 . 19 1 1 A 10 10 SER N N 10 120.300 117.342 2.958 1
1 116 . 19 1 1 A 11 11 THR H H 11 8.590 8.772 -0.182 1
1 117 . 19 1 1 A 11 11 THR HA H 11 5.163 4.606 0.557 1
1 122 . 19 1 1 A 11 11 THR C C 11 173.720 174.438 -0.718 1
1 123 . 19 1 1 A 11 11 THR CA C 11 61.380 62.516 -1.136 1
1 124 . 19 1 1 A 11 11 THR CB C 11 71.950 68.735 3.215 1
1 126 . 19 1 1 A 11 11 THR N N 11 120.191 122.902 -2.711 1
1 127 . 19 1 1 A 12 12 VAL H H 12 8.563 9.118 -0.555 1
1 128 . 19 1 1 A 12 12 VAL HA H 12 4.172 4.941 -0.769 1
1 136 . 19 1 1 A 12 12 VAL C C 12 175.380 173.606 1.774 1
1 137 . 19 1 1 A 12 12 VAL CA C 12 61.350 59.402 1.948 1
1 138 . 19 1 1 A 12 12 VAL CB C 12 33.053 34.650 -1.597 1
1 141 . 19 1 1 A 12 12 VAL N N 12 125.000 120.832 4.168 1
1 142 . 19 1 1 A 13 13 ASP H H 13 8.878 8.862 0.016 1
1 143 . 19 1 1 A 13 13 ASP HA H 13 4.501 5.337 -0.836 1
1 146 . 19 1 1 A 13 13 ASP C C 13 177.180 176.565 0.615 1
1 147 . 19 1 1 A 13 13 ASP CA C 13 55.120 52.369 2.751 1
1 148 . 19 1 1 A 13 13 ASP CB C 13 41.450 44.410 -2.960 1
1 149 . 19 1 1 A 13 13 ASP N N 13 128.300 124.854 3.446 1
1 150 . 19 1 1 A 14 14 GLY H H 14 8.697 8.569 0.128 1
1 151 . 19 1 1 A 14 14 GLY HA2 H 14 4.076 3.987 0.089 1
1 152 . 19 1 1 A 14 14 GLY HA3 H 14 3.719 3.988 -0.269 1
1 153 . 19 1 1 A 14 14 GLY C C 14 173.244 173.702 -0.458 1
1 154 . 19 1 1 A 14 14 GLY CA C 14 45.887 45.489 0.398 1
1 155 . 19 1 1 A 14 14 GLY N N 14 109.900 113.512 -3.612 1
1 156 . 19 1 1 A 15 15 ALA H H 15 7.360 7.715 -0.355 1
1 157 . 19 1 1 A 15 15 ALA HA H 15 4.601 4.816 -0.215 1
1 161 . 19 1 1 A 15 15 ALA C C 15 176.240 175.079 1.161 1
1 162 . 19 1 1 A 15 15 ALA CA C 15 51.370 51.006 0.364 1
1 163 . 19 1 1 A 15 15 ALA CB C 15 20.970 22.235 -1.265 1
1 164 . 19 1 1 A 15 15 ALA N N 15 121.213 121.463 -0.250 1
1 165 . 19 1 1 A 16 16 GLU H H 16 8.967 8.860 0.107 1
1 166 . 19 1 1 A 16 16 GLU HA H 16 4.406 4.642 -0.236 1
1 171 . 19 1 1 A 16 16 GLU C C 16 175.800 175.387 0.413 1
1 172 . 19 1 1 A 16 16 GLU CA C 16 57.170 54.495 2.675 1
1 173 . 19 1 1 A 16 16 GLU CB C 16 30.700 30.139 0.561 1
1 175 . 19 1 1 A 16 16 GLU N N 16 120.800 124.956 -4.156 1
1 176 . 19 1 1 A 17 17 SER H H 17 7.587 8.382 -0.795 1
1 177 . 19 1 1 A 17 17 SER HA H 17 4.891 4.101 0.790 1
1 180 . 19 1 1 A 17 17 SER C C 17 172.400 173.839 -1.439 1
1 181 . 19 1 1 A 17 17 SER CA C 17 57.797 58.789 -0.992 1
1 182 . 19 1 1 A 17 17 SER CB C 17 64.571 61.932 2.639 1
1 183 . 19 1 1 A 17 17 SER N N 17 111.600 119.847 -8.247 1
1 184 . 19 1 1 A 18 18 LEU H H 18 8.285 7.750 0.535 1
1 185 . 19 1 1 A 18 18 LEU HA H 18 4.810 5.106 -0.296 1
1 195 . 19 1 1 A 18 18 LEU C C 18 175.800 175.777 0.023 1
1 196 . 19 1 1 A 18 18 LEU CA C 18 54.230 52.957 1.273 1
1 197 . 19 1 1 A 18 18 LEU CB C 18 47.430 45.925 1.505 1
1 201 . 19 1 1 A 18 18 LEU N N 18 122.165 120.480 1.685 1
1 202 . 19 1 1 A 19 19 ASN H H 19 8.920 8.836 0.084 1
1 203 . 19 1 1 A 19 19 ASN HA H 19 5.768 5.053 0.715 1
1 208 . 19 1 1 A 19 19 ASN C C 19 176.170 176.306 -0.136 1
1 209 . 19 1 1 A 19 19 ASN CA C 19 51.650 52.565 -0.915 1
1 210 . 19 1 1 A 19 19 ASN CB C 19 38.430 39.148 -0.718 1
1 211 . 19 1 1 A 19 19 ASN N N 19 118.700 118.702 -0.002 1
1 213 . 19 1 1 A 20 20 VAL H H 20 7.805 8.551 -0.746 1
1 214 . 19 1 1 A 20 20 VAL HA H 20 3.297 3.604 -0.307 1
1 222 . 19 1 1 A 20 20 VAL C C 20 176.770 177.248 -0.478 1
1 223 . 19 1 1 A 20 20 VAL CA C 20 67.360 66.190 1.170 1
1 224 . 19 1 1 A 20 20 VAL CB C 20 30.940 31.404 -0.464 1
1 227 . 19 1 1 A 20 20 VAL N N 20 117.900 120.853 -2.953 1
1 228 . 19 1 1 A 21 21 THR H H 21 7.230 8.259 -1.029 1
1 229 . 19 1 1 A 21 21 THR HA H 21 3.665 3.828 -0.163 1
1 234 . 19 1 1 A 21 21 THR C C 21 177.360 176.183 1.177 1
1 235 . 19 1 1 A 21 21 THR CA C 21 67.077 67.295 -0.218 1
1 236 . 19 1 1 A 21 21 THR CB C 21 68.460 68.474 -0.014 1
1 238 . 19 1 1 A 21 21 THR N N 21 117.400 116.915 0.485 1
1 239 . 19 1 1 A 22 22 GLU H H 22 8.750 7.952 0.798 1
1 240 . 19 1 1 A 22 22 GLU HA H 22 4.046 4.024 0.022 1
1 245 . 19 1 1 A 22 22 GLU C C 22 179.910 179.051 0.859 1
1 246 . 19 1 1 A 22 22 GLU CA C 22 58.550 59.173 -0.623 1
1 247 . 19 1 1 A 22 22 GLU CB C 22 30.550 29.669 0.881 1
1 249 . 19 1 1 A 22 22 GLU N N 22 121.238 120.327 0.911 1
1 250 . 19 1 1 A 23 23 LEU H H 23 8.766 8.181 0.585 1
1 251 . 19 1 1 A 23 23 LEU HA H 23 3.935 3.997 -0.062 1
1 261 . 19 1 1 A 23 23 LEU C C 23 177.800 178.352 -0.552 1
1 262 . 19 1 1 A 23 23 LEU CA C 23 58.240 58.387 -0.147 1
1 263 . 19 1 1 A 23 23 LEU CB C 23 41.844 41.688 0.156 1
1 267 . 19 1 1 A 23 23 LEU N N 23 123.900 122.239 1.661 1
1 268 . 19 1 1 A 24 24 LEU H H 24 8.305 8.027 0.278 1
1 269 . 19 1 1 A 24 24 LEU HA H 24 3.690 4.001 -0.311 1
1 279 . 19 1 1 A 24 24 LEU C C 24 179.620 178.826 0.794 1
1 280 . 19 1 1 A 24 24 LEU CA C 24 58.010 57.920 0.090 1
1 281 . 19 1 1 A 24 24 LEU CB C 24 41.320 41.294 0.026 1
1 285 . 19 1 1 A 24 24 LEU N N 24 117.100 116.774 0.326 1
1 286 . 19 1 1 A 25 25 SER H H 25 7.226 8.000 -0.774 1
1 287 . 19 1 1 A 25 25 SER HA H 25 4.304 4.164 0.140 1
1 290 . 19 1 1 A 25 25 SER C C 25 178.100 177.041 1.059 1
1 291 . 19 1 1 A 25 25 SER CA C 25 60.900 61.498 -0.598 1
1 292 . 19 1 1 A 25 25 SER CB C 25 62.850 62.932 -0.082 1
1 293 . 19 1 1 A 25 25 SER N N 25 111.500 114.985 -3.485 1
1 294 . 19 1 1 A 26 26 ALA H H 26 8.712 8.146 0.566 1
1 295 . 19 1 1 A 26 26 ALA HA H 26 4.138 4.134 0.004 1
1 299 . 19 1 1 A 26 26 ALA C C 26 180.000 179.055 0.945 1
1 300 . 19 1 1 A 26 26 ALA CA C 26 55.180 54.603 0.577 1
1 301 . 19 1 1 A 26 26 ALA CB C 26 18.200 18.183 0.017 1
1 302 . 19 1 1 A 26 26 ALA N N 26 126.100 124.269 1.831 1
1 303 . 19 1 1 A 27 27 LEU H H 27 8.050 7.160 0.890 1
1 304 . 19 1 1 A 27 27 LEU HA H 27 4.314 4.398 -0.084 1
1 314 . 19 1 1 A 27 27 LEU C C 27 175.810 176.100 -0.290 1
1 315 . 19 1 1 A 27 27 LEU CA C 27 54.307 55.210 -0.903 1
1 316 . 19 1 1 A 27 27 LEU CB C 27 42.021 42.459 -0.438 1
1 320 . 19 1 1 A 27 27 LEU N N 27 114.250 117.825 -3.575 1
1 321 . 19 1 1 A 28 28 LYS H H 28 7.766 7.858 -0.092 1
1 322 . 19 1 1 A 28 28 LYS HA H 28 3.869 3.922 -0.053 1
1 331 . 19 1 1 A 28 28 LYS C C 28 176.030 175.604 0.426 1
1 332 . 19 1 1 A 28 28 LYS CA C 28 56.630 57.384 -0.754 1
1 333 . 19 1 1 A 28 28 LYS CB C 28 28.893 29.061 -0.168 1
1 337 . 19 1 1 A 28 28 LYS N N 28 117.700 117.441 0.259 1
1 338 . 19 1 1 A 29 29 VAL H H 29 7.583 7.904 -0.321 1
1 339 . 19 1 1 A 29 29 VAL HA H 29 3.520 4.044 -0.524 1
1 347 . 19 1 1 A 29 29 VAL C C 29 176.410 175.293 1.117 1
1 348 . 19 1 1 A 29 29 VAL CA C 29 63.741 62.456 1.285 1
1 349 . 19 1 1 A 29 29 VAL CB C 29 31.840 31.505 0.335 1
1 352 . 19 1 1 A 29 29 VAL N N 29 119.200 120.133 -0.933 1
1 353 . 19 1 1 A 30 30 ALA H H 30 8.543 8.599 -0.056 1
1 354 . 19 1 1 A 30 30 ALA HA H 30 4.215 4.184 0.031 1
1 358 . 19 1 1 A 30 30 ALA C C 30 177.710 177.883 -0.173 1
1 359 . 19 1 1 A 30 30 ALA CA C 30 52.330 52.431 -0.101 1
1 360 . 19 1 1 A 30 30 ALA CB C 30 19.170 19.703 -0.533 1
1 361 . 19 1 1 A 30 30 ALA N N 30 131.100 130.711 0.389 1
1 362 . 19 1 1 A 31 31 GLN H H 31 8.982 8.957 0.025 1
1 363 . 19 1 1 A 31 31 GLN HA H 31 4.162 3.903 0.259 1
1 370 . 19 1 1 A 31 31 GLN C C 31 176.670 176.646 0.024 1
1 371 . 19 1 1 A 31 31 GLN CA C 31 56.100 56.902 -0.802 1
1 372 . 19 1 1 A 31 31 GLN CB C 31 27.390 27.128 0.262 1
1 374 . 19 1 1 A 31 31 GLN N N 31 117.300 115.214 2.086 1
1 376 . 19 1 1 A 32 32 ALA H H 32 8.029 7.834 0.195 1
1 377 . 19 1 1 A 32 32 ALA HA H 32 3.738 4.147 -0.409 1
1 381 . 19 1 1 A 32 32 ALA C C 32 178.700 178.124 0.576 1
1 382 . 19 1 1 A 32 32 ALA CA C 32 55.010 54.272 0.738 1
1 383 . 19 1 1 A 32 32 ALA CB C 32 18.647 18.428 0.219 1
1 384 . 19 1 1 A 32 32 ALA N N 32 119.900 120.832 -0.932 1
1 385 . 19 1 1 A 33 33 GLU H H 33 9.338 8.016 1.322 1
1 386 . 19 1 1 A 33 33 GLU HA H 33 4.037 4.508 -0.471 1
1 391 . 19 1 1 A 33 33 GLU C C 33 176.370 177.785 -1.415 1
1 392 . 19 1 1 A 33 33 GLU CA C 33 58.280 57.703 0.577 1
1 393 . 19 1 1 A 33 33 GLU CB C 33 28.670 30.809 -2.139 1
1 395 . 19 1 1 A 33 33 GLU N N 33 116.800 114.805 1.995 1
1 396 . 19 1 1 A 34 34 TYR H H 34 8.063 7.534 0.529 1
1 397 . 19 1 1 A 34 34 TYR HA H 34 4.820 4.308 0.512 1
1 404 . 19 1 1 A 34 34 TYR C C 34 175.460 176.266 -0.806 1
1 405 . 19 1 1 A 34 34 TYR CA C 34 56.800 60.657 -3.857 1
1 406 . 19 1 1 A 34 34 TYR CB C 34 39.810 38.313 1.497 1
1 411 . 19 1 1 A 34 34 TYR N N 34 116.100 119.321 -3.221 1
1 412 . 19 1 1 A 35 35 VAL H H 35 7.330 7.021 0.309 1
1 413 . 19 1 1 A 35 35 VAL HA H 35 4.689 3.071 1.618 1
1 421 . 19 1 1 A 35 35 VAL C C 35 173.700 175.250 -1.550 1
1 422 . 19 1 1 A 35 35 VAL CA C 35 61.550 62.351 -0.801 1
1 423 . 19 1 1 A 35 35 VAL CB C 35 33.650 32.569 1.081 1
1 426 . 19 1 1 A 35 35 VAL N N 35 121.200 120.913 0.287 1
1 427 . 19 1 1 A 36 36 THR H H 36 8.879 7.373 1.506 1
1 428 . 19 1 1 A 36 36 THR HA H 36 4.696 4.910 -0.214 1
1 433 . 19 1 1 A 36 36 THR C C 36 172.930 173.865 -0.935 1
1 434 . 19 1 1 A 36 36 THR CA C 36 62.300 61.808 0.492 1
1 435 . 19 1 1 A 36 36 THR CB C 36 70.500 69.879 0.621 1
1 437 . 19 1 1 A 36 36 THR N N 36 126.800 121.617 5.183 1
1 438 . 19 1 1 A 37 37 VAL H H 37 9.616 9.001 0.615 1
1 439 . 19 1 1 A 37 37 VAL HA H 37 5.072 4.994 0.078 1
1 447 . 19 1 1 A 37 37 VAL C C 37 174.820 174.494 0.326 1
1 448 . 19 1 1 A 37 37 VAL CA C 37 59.440 58.465 0.975 1
1 449 . 19 1 1 A 37 37 VAL CB C 37 35.270 35.123 0.147 1
1 452 . 19 1 1 A 37 37 VAL N N 37 127.600 119.544 8.056 1
1 453 . 19 1 1 A 38 38 GLU H H 38 8.934 8.596 0.338 1
1 454 . 19 1 1 A 38 38 GLU HA H 38 5.059 5.079 -0.020 1
1 459 . 19 1 1 A 38 38 GLU C C 38 174.850 174.493 0.357 1
1 460 . 19 1 1 A 38 38 GLU CA C 38 53.989 54.573 -0.584 1
1 461 . 19 1 1 A 38 38 GLU CB C 38 32.599 32.635 -0.036 1
1 463 . 19 1 1 A 38 38 GLU N N 38 126.700 121.690 5.010 1
1 464 . 19 1 1 A 39 39 LEU H H 39 9.004 8.929 0.075 1
1 465 . 19 1 1 A 39 39 LEU HA H 39 5.082 4.759 0.323 1
1 474 . 19 1 1 A 39 39 LEU C C 39 175.890 176.854 -0.964 1
1 475 . 19 1 1 A 39 39 LEU CA C 39 53.030 54.253 -1.223 1
1 476 . 19 1 1 A 39 39 LEU CB C 39 45.640 42.568 3.072 1
1 479 . 19 1 1 A 39 39 LEU N N 39 128.700 126.347 2.353 1
1 480 . 19 1 1 A 40 40 ASN H H 40 10.210 9.797 0.413 1
1 481 . 19 1 1 A 40 40 ASN HA H 40 4.495 4.471 0.024 1
1 486 . 19 1 1 A 40 40 ASN C C 40 175.620 175.489 0.131 1
1 487 . 19 1 1 A 40 40 ASN CA C 40 54.540 54.513 0.027 1
1 488 . 19 1 1 A 40 40 ASN CB C 40 37.280 37.099 0.181 1
1 489 . 19 1 1 A 40 40 ASN N N 40 128.749 125.379 3.370 1
1 491 . 19 1 1 A 41 41 GLY H H 41 8.913 8.220 0.693 1
1 492 . 19 1 1 A 41 41 GLY HA2 H 41 4.162 3.839 0.323 1
1 493 . 19 1 1 A 41 41 GLY HA3 H 41 3.625 3.839 -0.214 1
1 494 . 19 1 1 A 41 41 GLY C C 41 173.380 173.472 -0.092 1
1 495 . 19 1 1 A 41 41 GLY CA C 41 45.220 45.321 -0.101 1
1 496 . 19 1 1 A 41 41 GLY N N 41 102.811 104.678 -1.867 1
1 497 . 19 1 1 A 42 42 GLU H H 42 7.716 7.822 -0.106 1
1 498 . 19 1 1 A 42 42 GLU HA H 42 4.655 4.638 0.017 1
1 503 . 19 1 1 A 42 42 GLU C C 42 175.300 175.782 -0.482 1
1 504 . 19 1 1 A 42 42 GLU CA C 42 54.190 55.114 -0.924 1
1 505 . 19 1 1 A 42 42 GLU CB C 42 31.770 31.457 0.313 1
1 507 . 19 1 1 A 42 42 GLU N N 42 120.731 121.278 -0.547 1
1 508 . 19 1 1 A 43 43 VAL H H 43 8.872 8.634 0.238 1
1 509 . 19 1 1 A 43 43 VAL HA H 43 4.025 4.237 -0.212 1
1 517 . 19 1 1 A 43 43 VAL C C 43 176.260 174.930 1.330 1
1 518 . 19 1 1 A 43 43 VAL CA C 43 64.110 62.773 1.337 1
1 519 . 19 1 1 A 43 43 VAL CB C 43 31.500 32.712 -1.212 1
1 522 . 19 1 1 A 43 43 VAL N N 43 126.800 128.127 -1.327 1
1 523 . 19 1 1 A 44 44 LEU H H 44 8.810 8.486 0.324 1
1 524 . 19 1 1 A 44 44 LEU HA H 44 4.656 5.014 -0.358 1
1 534 . 19 1 1 A 44 44 LEU C C 44 177.620 175.483 2.137 1
1 535 . 19 1 1 A 44 44 LEU CA C 44 53.750 53.379 0.371 1
1 536 . 19 1 1 A 44 44 LEU CB C 44 44.080 44.746 -0.666 1
1 540 . 19 1 1 A 44 44 LEU N N 44 129.200 128.952 0.248 1
1 541 . 19 1 1 A 45 45 GLU H H 45 8.742 8.611 0.131 1
1 542 . 19 1 1 A 45 45 GLU HA H 45 4.465 4.342 0.123 1
1 547 . 19 1 1 A 45 45 GLU C C 45 177.440 177.174 0.266 1
1 548 . 19 1 1 A 45 45 GLU CA C 45 55.270 55.769 -0.499 1
1 549 . 19 1 1 A 45 45 GLU CB C 45 29.830 31.376 -1.546 1
1 551 . 19 1 1 A 45 45 GLU N N 45 122.500 121.820 0.680 1
1 552 . 19 1 1 A 46 46 ARG H H 46 8.674 8.518 0.156 1
1 553 . 19 1 1 A 46 46 ARG HA H 46 2.384 2.511 -0.127 1
1 560 . 19 1 1 A 46 46 ARG C C 46 179.080 178.313 0.767 1
1 561 . 19 1 1 A 46 46 ARG CA C 46 58.150 59.275 -1.125 1
1 562 . 19 1 1 A 46 46 ARG CB C 46 29.050 29.599 -0.549 1
1 565 . 19 1 1 A 46 46 ARG N N 46 124.600 124.441 0.159 1
1 566 . 19 1 1 A 47 47 GLU H H 47 9.010 7.878 1.132 1
1 567 . 19 1 1 A 47 47 GLU HA H 47 4.008 4.042 -0.034 1
1 572 . 19 1 1 A 47 47 GLU C C 47 176.700 178.590 -1.890 1
1 573 . 19 1 1 A 47 47 GLU CA C 47 58.720 58.790 -0.070 1
1 574 . 19 1 1 A 47 47 GLU CB C 47 28.590 29.248 -0.658 1
1 576 . 19 1 1 A 47 47 GLU N N 47 117.300 119.127 -1.827 1
1 577 . 19 1 1 A 48 48 ALA H H 48 8.011 7.959 0.052 1
1 578 . 19 1 1 A 48 48 ALA HA H 48 4.749 4.117 0.632 1
1 582 . 19 1 1 A 48 48 ALA C C 48 180.070 179.506 0.564 1
1 583 . 19 1 1 A 48 48 ALA CA C 48 51.780 54.816 -3.036 1
1 584 . 19 1 1 A 48 48 ALA CB C 48 19.390 18.322 1.068 1
1 585 . 19 1 1 A 48 48 ALA N N 48 120.200 121.562 -1.362 1
1 586 . 19 1 1 A 49 49 PHE H H 49 8.002 7.575 0.427 1
1 587 . 19 1 1 A 49 49 PHE HA H 49 4.305 4.337 -0.032 1
1 594 . 19 1 1 A 49 49 PHE C C 49 177.710 177.857 -0.147 1
1 595 . 19 1 1 A 49 49 PHE CA C 49 59.969 61.702 -1.733 1
1 596 . 19 1 1 A 49 49 PHE CB C 49 36.820 38.405 -1.585 1
1 601 . 19 1 1 A 49 49 PHE N N 49 123.801 116.428 7.373 1
1 602 . 19 1 1 A 50 50 ASP H H 50 8.558 8.556 0.002 1
1 603 . 19 1 1 A 50 50 ASP HA H 50 4.561 4.453 0.108 1
1 606 . 19 1 1 A 50 50 ASP C C 50 176.610 177.931 -1.321 1
1 607 . 19 1 1 A 50 50 ASP CA C 50 56.100 57.584 -1.484 1
1 608 . 19 1 1 A 50 50 ASP CB C 50 40.350 41.087 -0.737 1
1 609 . 19 1 1 A 50 50 ASP N N 50 115.500 119.861 -4.361 1
1 610 . 19 1 1 A 51 51 ALA H H 51 7.539 7.280 0.259 1
1 611 . 19 1 1 A 51 51 ALA HA H 51 4.498 4.165 0.333 1
1 615 . 19 1 1 A 51 51 ALA C C 51 177.370 178.105 -0.735 1
1 616 . 19 1 1 A 51 51 ALA CA C 51 51.850 54.685 -2.835 1
1 617 . 19 1 1 A 51 51 ALA CB C 51 20.280 18.721 1.559 1
1 618 . 19 1 1 A 51 51 ALA N N 51 119.500 120.103 -0.603 1
1 619 . 19 1 1 A 52 52 THR H H 52 7.503 8.067 -0.564 1
1 620 . 19 1 1 A 52 52 THR HA H 52 4.376 4.353 0.023 1
1 625 . 19 1 1 A 52 52 THR C C 52 172.780 173.906 -1.126 1
1 626 . 19 1 1 A 52 52 THR CA C 52 63.450 63.061 0.389 1
1 627 . 19 1 1 A 52 52 THR CB C 52 69.910 68.426 1.484 1
1 629 . 19 1 1 A 52 52 THR N N 52 117.700 113.916 3.784 1
1 630 . 19 1 1 A 53 53 THR H H 53 8.354 8.577 -0.223 1
1 631 . 19 1 1 A 53 53 THR HA H 53 4.521 4.894 -0.373 1
1 636 . 19 1 1 A 53 53 THR C C 53 173.000 173.968 -0.968 1
1 637 . 19 1 1 A 53 53 THR CA C 53 62.110 60.812 1.298 1
1 638 . 19 1 1 A 53 53 THR CB C 53 70.380 69.760 0.620 1
1 640 . 19 1 1 A 53 53 THR N N 53 120.700 118.810 1.890 1
1 641 . 19 1 1 A 54 54 VAL H H 54 9.223 8.770 0.453 1
1 642 . 19 1 1 A 54 54 VAL HA H 54 4.256 4.277 -0.021 1
1 650 . 19 1 1 A 54 54 VAL C C 54 173.500 175.458 -1.958 1
1 651 . 19 1 1 A 54 54 VAL CA C 54 61.330 62.849 -1.519 1
1 652 . 19 1 1 A 54 54 VAL CB C 54 33.090 31.746 1.344 1
1 655 . 19 1 1 A 54 54 VAL N N 54 126.200 127.308 -1.108 1
1 656 . 19 1 1 A 55 55 LYS H H 55 9.074 8.615 0.459 1
1 657 . 19 1 1 A 55 55 LYS HA H 55 4.847 4.857 -0.010 1
1 666 . 19 1 1 A 55 55 LYS C C 55 174.610 175.205 -0.595 1
1 667 . 19 1 1 A 55 55 LYS CA C 55 54.265 55.356 -1.091 1
1 668 . 19 1 1 A 55 55 LYS CB C 55 36.111 33.276 2.835 1
1 672 . 19 1 1 A 55 55 LYS N N 55 124.700 124.578 0.122 1
1 673 . 19 1 1 A 56 56 ASP H H 56 8.111 8.901 -0.790 1
1 674 . 19 1 1 A 56 56 ASP HA H 56 4.553 4.615 -0.062 1
1 677 . 19 1 1 A 56 56 ASP C C 56 177.720 175.765 1.955 1
1 678 . 19 1 1 A 56 56 ASP CA C 56 56.040 54.717 1.323 1
1 679 . 19 1 1 A 56 56 ASP CB C 56 43.070 40.615 2.455 1
1 680 . 19 1 1 A 56 56 ASP N N 56 116.700 119.913 -3.213 1
1 681 . 19 1 1 A 57 57 GLY H H 57 9.330 8.789 0.541 1
1 682 . 19 1 1 A 57 57 GLY HA2 H 57 4.343 3.871 0.472 1
1 683 . 19 1 1 A 57 57 GLY HA3 H 57 3.652 3.871 -0.219 1
1 684 . 19 1 1 A 57 57 GLY C C 57 175.140 173.481 1.659 1
1 685 . 19 1 1 A 57 57 GLY CA C 57 44.869 46.642 -1.773 1
1 686 . 19 1 1 A 57 57 GLY N N 57 113.900 111.863 2.037 1
1 687 . 19 1 1 A 58 58 ASP H H 58 8.104 7.391 0.713 1
1 688 . 19 1 1 A 58 58 ASP HA H 58 4.808 5.011 -0.203 1
1 691 . 19 1 1 A 58 58 ASP C C 58 174.100 174.786 -0.686 1
1 692 . 19 1 1 A 58 58 ASP CA C 58 55.700 52.671 3.029 1
1 693 . 19 1 1 A 58 58 ASP CB C 58 42.080 43.915 -1.835 1
1 694 . 19 1 1 A 58 58 ASP N N 58 122.600 120.169 2.431 1
1 695 . 19 1 1 A 59 59 ALA H H 59 8.326 8.624 -0.298 1
1 696 . 19 1 1 A 59 59 ALA HA H 59 5.208 5.088 0.120 1
1 700 . 19 1 1 A 59 59 ALA C C 59 174.350 176.054 -1.704 1
1 701 . 19 1 1 A 59 59 ALA CA C 59 50.110 51.405 -1.295 1
1 702 . 19 1 1 A 59 59 ALA CB C 59 20.760 19.004 1.756 1
1 703 . 19 1 1 A 59 59 ALA N N 59 121.100 123.787 -2.687 1
1 704 . 19 1 1 A 60 60 VAL H H 60 9.061 8.528 0.533 1
1 705 . 19 1 1 A 60 60 VAL HA H 60 4.117 4.391 -0.274 1
1 713 . 19 1 1 A 60 60 VAL C C 60 174.300 174.277 0.023 1
1 714 . 19 1 1 A 60 60 VAL CA C 60 61.830 61.895 -0.065 1
1 715 . 19 1 1 A 60 60 VAL CB C 60 33.640 32.177 1.463 1
1 718 . 19 1 1 A 60 60 VAL N N 60 121.800 123.055 -1.255 1
1 719 . 19 1 1 A 61 61 GLU H H 61 9.027 8.701 0.326 1
1 720 . 19 1 1 A 61 61 GLU HA H 61 4.778 4.696 0.082 1
1 725 . 19 1 1 A 61 61 GLU C C 61 176.200 175.124 1.076 1
1 726 . 19 1 1 A 61 61 GLU CA C 61 54.152 56.337 -2.185 1
1 727 . 19 1 1 A 61 61 GLU CB C 61 32.477 30.356 2.121 1
1 729 . 19 1 1 A 61 61 GLU N N 61 123.900 129.819 -5.919 1
1 730 . 19 1 1 A 62 62 PHE H H 62 9.075 9.117 -0.042 1
1 731 . 19 1 1 A 62 62 PHE HA H 62 5.317 4.981 0.336 1
1 739 . 19 1 1 A 62 62 PHE C C 62 174.490 175.662 -1.172 1
1 740 . 19 1 1 A 62 62 PHE CA C 62 54.910 57.921 -3.011 1
1 741 . 19 1 1 A 62 62 PHE CB C 62 39.640 40.614 -0.974 1
1 747 . 19 1 1 A 62 62 PHE N N 62 122.000 125.024 -3.024 1
1 748 . 19 1 1 A 63 63 LEU H H 63 8.996 8.570 0.426 1
1 749 . 19 1 1 A 63 63 LEU HA H 63 4.643 4.814 -0.171 1
1 759 . 19 1 1 A 63 63 LEU C C 63 175.030 175.369 -0.339 1
1 760 . 19 1 1 A 63 63 LEU CA C 63 53.630 53.327 0.303 1
1 761 . 19 1 1 A 63 63 LEU CB C 63 44.680 44.934 -0.254 1
1 765 . 19 1 1 A 63 63 LEU N N 63 125.000 119.639 5.361 1
1 766 . 19 1 1 A 64 64 TYR H H 64 8.669 8.386 0.283 1
1 767 . 19 1 1 A 64 64 TYR HA H 64 4.758 4.030 0.728 1
1 774 . 19 1 1 A 64 64 TYR C C 64 175.630 175.596 0.034 1
1 775 . 19 1 1 A 64 64 TYR CA C 64 57.460 61.308 -3.848 1
1 776 . 19 1 1 A 64 64 TYR CB C 64 39.690 36.154 3.536 1
1 781 . 19 1 1 A 64 64 TYR N N 64 120.100 118.020 2.080 1
1 782 . 19 1 1 A 65 65 PHE H H 65 8.688 8.462 0.226 1
1 783 . 19 1 1 A 65 65 PHE HA H 65 4.777 4.742 0.035 1
1 791 . 19 1 1 A 65 65 PHE C C 65 175.940 174.539 1.401 1
1 792 . 19 1 1 A 65 65 PHE CA C 65 57.325 56.350 0.975 1
1 793 . 19 1 1 A 65 65 PHE CB C 65 39.340 36.816 2.524 1
1 799 . 19 1 1 A 65 65 PHE N N 65 122.100 118.529 3.571 1
1 800 . 19 1 1 A 66 66 MET H H 66 8.611 7.885 0.726 1
1 801 . 19 1 1 A 66 66 MET HA H 66 4.537 4.984 -0.447 1
1 806 . 19 1 1 A 66 66 MET C C 66 176.630 174.449 2.181 1
1 807 . 19 1 1 A 66 66 MET CA C 66 55.370 54.193 1.177 1
1 808 . 19 1 1 A 66 66 MET CB C 66 32.710 35.240 -2.530 1
1 810 . 19 1 1 A 66 66 MET N N 66 121.700 120.879 0.821 1
1 811 . 19 1 1 A 67 67 GLY H H 67 8.213 8.408 -0.195 1
1 812 . 19 1 1 A 67 67 GLY HA2 H 67 3.928 4.029 -0.101 1
1 813 . 19 1 1 A 67 67 GLY HA3 H 67 3.928 4.033 -0.105 1
1 814 . 19 1 1 A 67 67 GLY C C 67 174.800 174.940 -0.140 1
1 815 . 19 1 1 A 67 67 GLY CA C 67 45.359 45.520 -0.161 1
1 816 . 19 1 1 A 67 67 GLY N N 67 109.600 111.005 -1.405 1
1 817 . 19 1 1 A 68 68 GLY H H 68 8.353 7.838 0.515 1
1 818 . 19 1 1 A 68 68 GLY HA2 H 68 4.862 3.718 1.144 1
1 819 . 19 1 1 A 68 68 GLY HA3 H 68 4.861 3.723 1.138 1
1 820 . 19 1 1 A 68 68 GLY C C 68 174.760 175.339 -0.579 1
1 821 . 19 1 1 A 68 68 GLY CA C 68 45.402 46.289 -0.887 1
1 822 . 19 1 1 A 68 68 GLY N N 68 108.600 107.760 0.840 1
1 823 . 19 1 1 A 69 69 GLY H H 69 8.406 8.431 -0.025 1
1 824 . 19 1 1 A 69 69 GLY HA2 H 69 3.953 4.003 -0.050 1
1 825 . 19 1 1 A 69 69 GLY HA3 H 69 3.953 4.003 -0.050 1
1 826 . 19 1 1 A 69 69 GLY C C 69 174.070 174.309 -0.239 1
1 827 . 19 1 1 A 69 69 GLY CA C 69 45.242 45.220 0.022 1
1 828 . 19 1 1 A 69 69 GLY N N 69 109.100 114.911 -5.811 1
1 829 . 19 1 1 A 70 70 LYS H H 70 8.153 8.159 -0.006 1
1 830 . 19 1 1 A 70 70 LYS HA H 70 4.255 4.363 -0.108 1
1 839 . 19 1 1 A 70 70 LYS C C 70 176.490 174.948 1.542 1
1 840 . 19 1 1 A 70 70 LYS CA C 70 56.370 56.541 -0.171 1
1 841 . 19 1 1 A 70 70 LYS CB C 70 33.130 31.645 1.485 1
1 845 . 19 1 1 A 70 70 LYS N N 70 120.500 120.568 -0.068 1
1 846 . 19 1 1 A 71 71 LEU H H 71 8.253 8.626 -0.373 1
1 847 . 19 1 1 A 71 71 LEU HA H 71 4.285 4.339 -0.054 1
1 857 . 19 1 1 A 71 71 LEU C C 71 177.110 177.473 -0.363 1
1 858 . 19 1 1 A 71 71 LEU CA C 71 55.120 54.528 0.592 1
1 859 . 19 1 1 A 71 71 LEU CB C 71 42.236 41.978 0.258 1
1 863 . 19 1 1 A 71 71 LEU N N 71 122.905 125.443 -2.538 1
1 864 . 19 1 1 A 72 72 GLU H H 72 8.343 8.658 -0.315 1
1 865 . 19 1 1 A 72 72 GLU HA H 72 4.238 3.843 0.395 1
1 870 . 19 1 1 A 72 72 GLU C C 72 176.100 176.942 -0.842 1
1 871 . 19 1 1 A 72 72 GLU CA C 72 56.760 59.888 -3.128 1
1 872 . 19 1 1 A 72 72 GLU CB C 72 30.619 29.427 1.192 1
1 874 . 19 1 1 A 72 72 GLU N N 72 121.500 122.711 -1.211 1
1 875 . 19 1 1 A 73 73 HIS H H 73 8.404 7.847 0.557 1
1 876 . 19 1 1 A 73 73 HIS HA H 73 4.593 4.675 -0.082 1
1 879 . 19 1 1 A 73 73 HIS C C 73 173.840 175.480 -1.640 1
1 880 . 19 1 1 A 73 73 HIS CA C 73 55.777 57.432 -1.655 1
1 881 . 19 1 1 A 73 73 HIS CB C 73 30.080 31.204 -1.124 1
1 882 . 19 1 1 A 73 73 HIS N N 73 119.733 112.787 6.946 1
1 883 . 19 1 1 A 74 74 HIS H H 74 8.213 8.134 0.079 1
1 884 . 19 1 1 A 74 74 HIS CA C 74 57.175 55.047 2.128 1
1 885 . 19 1 1 A 74 74 HIS CB C 74 30.671 31.422 -0.751 1
1 9 . 20 1 1 A 2 2 ASN H H 2 9.645 8.849 0.796 1
1 10 . 20 1 1 A 2 2 ASN HA H 2 5.430 5.399 0.031 1
1 15 . 20 1 1 A 2 2 ASN CA C 2 52.761 52.547 0.214 1
1 16 . 20 1 1 A 2 2 ASN CB C 2 40.140 40.083 0.057 1
1 17 . 20 1 1 A 2 2 ASN N N 2 125.300 117.517 7.783 1
1 19 . 20 1 1 A 3 3 LEU H H 3 8.769 9.202 -0.433 1
1 20 . 20 1 1 A 3 3 LEU HA H 3 4.949 5.189 -0.240 1
1 30 . 20 1 1 A 3 3 LEU C C 3 176.320 175.881 0.439 1
1 31 . 20 1 1 A 3 3 LEU CA C 3 54.223 53.353 0.870 1
1 32 . 20 1 1 A 3 3 LEU CB C 3 45.941 44.976 0.965 1
1 36 . 20 1 1 A 3 3 LEU N N 3 121.800 124.143 -2.343 1
1 37 . 20 1 1 A 4 4 THR H H 4 8.329 9.127 -0.798 1
1 38 . 20 1 1 A 4 4 THR HA H 4 4.744 4.664 0.080 1
1 43 . 20 1 1 A 4 4 THR C C 4 173.650 173.548 0.102 1
1 44 . 20 1 1 A 4 4 THR CA C 4 62.150 61.852 0.298 1
1 45 . 20 1 1 A 4 4 THR CB C 4 69.430 67.077 2.353 1
1 47 . 20 1 1 A 4 4 THR N N 4 116.200 120.765 -4.565 1
1 48 . 20 1 1 A 5 5 VAL H H 5 8.955 8.440 0.515 1
1 49 . 20 1 1 A 5 5 VAL HA H 5 4.683 4.789 -0.106 1
1 57 . 20 1 1 A 5 5 VAL C C 5 176.470 176.380 0.090 1
1 58 . 20 1 1 A 5 5 VAL CA C 5 60.724 61.872 -1.148 1
1 59 . 20 1 1 A 5 5 VAL CB C 5 33.590 32.214 1.376 1
1 62 . 20 1 1 A 5 5 VAL N N 5 126.000 126.325 -0.325 1
1 63 . 20 1 1 A 6 6 ASN H H 6 9.534 9.568 -0.034 1
1 64 . 20 1 1 A 6 6 ASN HA H 6 4.636 4.477 0.159 1
1 69 . 20 1 1 A 6 6 ASN C C 6 175.900 175.387 0.513 1
1 70 . 20 1 1 A 6 6 ASN CA C 6 54.150 54.496 -0.346 1
1 71 . 20 1 1 A 6 6 ASN CB C 6 36.410 37.001 -0.591 1
1 72 . 20 1 1 A 6 6 ASN N N 6 129.400 128.213 1.187 1
1 74 . 20 1 1 A 7 7 GLY H H 7 8.915 8.466 0.449 1
1 75 . 20 1 1 A 7 7 GLY HA2 H 7 4.170 3.877 0.293 1
1 76 . 20 1 1 A 7 7 GLY HA3 H 7 3.485 3.879 -0.394 1
1 77 . 20 1 1 A 7 7 GLY C C 7 173.950 173.621 0.329 1
1 78 . 20 1 1 A 7 7 GLY CA C 7 45.337 45.423 -0.086 1
1 79 . 20 1 1 A 7 7 GLY N N 7 102.200 104.932 -2.732 1
1 80 . 20 1 1 A 8 8 LYS H H 8 7.900 8.195 -0.295 1
1 81 . 20 1 1 A 8 8 LYS HA H 8 4.987 4.704 0.283 1
1 90 . 20 1 1 A 8 8 LYS CA C 8 52.940 53.041 -0.101 1
1 91 . 20 1 1 A 8 8 LYS CB C 8 34.010 33.466 0.544 1
1 95 . 20 1 1 A 8 8 LYS N N 8 121.700 121.021 0.679 1
1 96 . 20 1 1 A 9 9 PRO HA H 9 4.700 4.760 -0.060 1
1 103 . 20 1 1 A 9 9 PRO C C 9 176.900 175.971 0.929 1
1 104 . 20 1 1 A 9 9 PRO CA C 9 63.990 62.493 1.497 1
1 105 . 20 1 1 A 9 9 PRO CB C 9 32.000 30.777 1.223 1
1 108 . 20 1 1 A 10 10 SER H H 10 8.970 9.151 -0.181 1
1 109 . 20 1 1 A 10 10 SER HA H 10 4.822 4.907 -0.085 1
1 112 . 20 1 1 A 10 10 SER C C 10 172.800 173.372 -0.572 1
1 113 . 20 1 1 A 10 10 SER CA C 10 57.880 56.479 1.401 1
1 114 . 20 1 1 A 10 10 SER CB C 10 66.361 65.248 1.113 1
1 115 . 20 1 1 A 10 10 SER N N 10 120.300 118.148 2.152 1
1 116 . 20 1 1 A 11 11 THR H H 11 8.590 8.666 -0.076 1
1 117 . 20 1 1 A 11 11 THR HA H 11 5.163 4.919 0.244 1
1 122 . 20 1 1 A 11 11 THR C C 11 173.720 173.389 0.331 1
1 123 . 20 1 1 A 11 11 THR CA C 11 61.380 61.652 -0.272 1
1 124 . 20 1 1 A 11 11 THR CB C 11 71.950 71.520 0.430 1
1 126 . 20 1 1 A 11 11 THR N N 11 120.191 116.682 3.509 1
1 127 . 20 1 1 A 12 12 VAL H H 12 8.563 9.192 -0.629 1
1 128 . 20 1 1 A 12 12 VAL HA H 12 4.172 4.755 -0.583 1
1 136 . 20 1 1 A 12 12 VAL C C 12 175.380 174.410 0.970 1
1 137 . 20 1 1 A 12 12 VAL CA C 12 61.350 60.835 0.515 1
1 138 . 20 1 1 A 12 12 VAL CB C 12 33.053 33.026 0.027 1
1 141 . 20 1 1 A 12 12 VAL N N 12 125.000 123.329 1.671 1
1 142 . 20 1 1 A 13 13 ASP H H 13 8.878 8.809 0.069 1
1 143 . 20 1 1 A 13 13 ASP HA H 13 4.501 4.370 0.131 1
1 146 . 20 1 1 A 13 13 ASP C C 13 177.180 176.960 0.220 1
1 147 . 20 1 1 A 13 13 ASP CA C 13 55.120 55.384 -0.264 1
1 148 . 20 1 1 A 13 13 ASP CB C 13 41.450 41.135 0.315 1
1 149 . 20 1 1 A 13 13 ASP N N 13 128.300 127.422 0.878 1
1 150 . 20 1 1 A 14 14 GLY H H 14 8.697 8.876 -0.179 1
1 151 . 20 1 1 A 14 14 GLY HA2 H 14 4.076 3.980 0.096 1
1 152 . 20 1 1 A 14 14 GLY HA3 H 14 3.719 3.981 -0.262 1
1 153 . 20 1 1 A 14 14 GLY C C 14 173.244 174.061 -0.817 1
1 154 . 20 1 1 A 14 14 GLY CA C 14 45.887 45.318 0.569 1
1 155 . 20 1 1 A 14 14 GLY N N 14 109.900 114.103 -4.203 1
1 156 . 20 1 1 A 15 15 ALA H H 15 7.360 7.608 -0.248 1
1 157 . 20 1 1 A 15 15 ALA HA H 15 4.601 4.611 -0.010 1
1 161 . 20 1 1 A 15 15 ALA C C 15 176.240 176.740 -0.500 1
1 162 . 20 1 1 A 15 15 ALA CA C 15 51.370 51.502 -0.132 1
1 163 . 20 1 1 A 15 15 ALA CB C 15 20.970 20.255 0.715 1
1 164 . 20 1 1 A 15 15 ALA N N 15 121.213 123.547 -2.334 1
1 165 . 20 1 1 A 16 16 GLU H H 16 8.967 9.176 -0.209 1
1 166 . 20 1 1 A 16 16 GLU HA H 16 4.406 4.501 -0.095 1
1 171 . 20 1 1 A 16 16 GLU C C 16 175.800 175.013 0.787 1
1 172 . 20 1 1 A 16 16 GLU CA C 16 57.170 58.128 -0.958 1
1 173 . 20 1 1 A 16 16 GLU CB C 16 30.700 31.788 -1.088 1
1 175 . 20 1 1 A 16 16 GLU N N 16 120.800 122.345 -1.545 1
1 176 . 20 1 1 A 17 17 SER H H 17 7.587 8.383 -0.796 1
1 177 . 20 1 1 A 17 17 SER HA H 17 4.891 4.941 -0.050 1
1 180 . 20 1 1 A 17 17 SER C C 17 172.400 173.157 -0.757 1
1 181 . 20 1 1 A 17 17 SER CA C 17 57.797 57.994 -0.197 1
1 182 . 20 1 1 A 17 17 SER CB C 17 64.571 63.195 1.376 1
1 183 . 20 1 1 A 17 17 SER N N 17 111.600 114.866 -3.266 1
1 184 . 20 1 1 A 18 18 LEU H H 18 8.285 8.899 -0.614 1
1 185 . 20 1 1 A 18 18 LEU HA H 18 4.810 5.028 -0.218 1
1 195 . 20 1 1 A 18 18 LEU C C 18 175.800 176.250 -0.450 1
1 196 . 20 1 1 A 18 18 LEU CA C 18 54.230 53.708 0.522 1
1 197 . 20 1 1 A 18 18 LEU CB C 18 47.430 45.221 2.209 1
1 201 . 20 1 1 A 18 18 LEU N N 18 122.165 126.953 -4.788 1
1 202 . 20 1 1 A 19 19 ASN H H 19 8.920 8.754 0.166 1
1 203 . 20 1 1 A 19 19 ASN HA H 19 5.768 5.045 0.723 1
1 208 . 20 1 1 A 19 19 ASN C C 19 176.170 176.984 -0.814 1
1 209 . 20 1 1 A 19 19 ASN CA C 19 51.650 53.291 -1.641 1
1 210 . 20 1 1 A 19 19 ASN CB C 19 38.430 39.669 -1.239 1
1 211 . 20 1 1 A 19 19 ASN N N 19 118.700 120.027 -1.327 1
1 213 . 20 1 1 A 20 20 VAL H H 20 7.805 8.777 -0.972 1
1 214 . 20 1 1 A 20 20 VAL HA H 20 3.297 3.636 -0.339 1
1 222 . 20 1 1 A 20 20 VAL C C 20 176.770 177.307 -0.537 1
1 223 . 20 1 1 A 20 20 VAL CA C 20 67.360 66.110 1.250 1
1 224 . 20 1 1 A 20 20 VAL CB C 20 30.940 31.467 -0.527 1
1 227 . 20 1 1 A 20 20 VAL N N 20 117.900 122.542 -4.642 1
1 228 . 20 1 1 A 21 21 THR H H 21 7.230 7.987 -0.757 1
1 229 . 20 1 1 A 21 21 THR HA H 21 3.665 3.850 -0.185 1
1 234 . 20 1 1 A 21 21 THR C C 21 177.360 176.751 0.609 1
1 235 . 20 1 1 A 21 21 THR CA C 21 67.077 67.340 -0.263 1
1 236 . 20 1 1 A 21 21 THR CB C 21 68.460 68.472 -0.012 1
1 238 . 20 1 1 A 21 21 THR N N 21 117.400 116.901 0.499 1
1 239 . 20 1 1 A 22 22 GLU H H 22 8.750 7.988 0.762 1
1 240 . 20 1 1 A 22 22 GLU HA H 22 4.046 4.167 -0.121 1
1 245 . 20 1 1 A 22 22 GLU C C 22 179.910 179.430 0.480 1
1 246 . 20 1 1 A 22 22 GLU CA C 22 58.550 59.196 -0.646 1
1 247 . 20 1 1 A 22 22 GLU CB C 22 30.550 29.220 1.330 1
1 249 . 20 1 1 A 22 22 GLU N N 22 121.238 120.215 1.023 1
1 250 . 20 1 1 A 23 23 LEU H H 23 8.766 8.153 0.613 1
1 251 . 20 1 1 A 23 23 LEU HA H 23 3.935 4.000 -0.065 1
1 261 . 20 1 1 A 23 23 LEU C C 23 177.800 179.314 -1.514 1
1 262 . 20 1 1 A 23 23 LEU CA C 23 58.240 57.988 0.252 1
1 263 . 20 1 1 A 23 23 LEU CB C 23 41.844 41.620 0.224 1
1 267 . 20 1 1 A 23 23 LEU N N 23 123.900 120.738 3.162 1
1 268 . 20 1 1 A 24 24 LEU H H 24 8.305 8.022 0.283 1
1 269 . 20 1 1 A 24 24 LEU HA H 24 3.690 3.832 -0.142 1
1 279 . 20 1 1 A 24 24 LEU C C 24 179.620 179.337 0.283 1
1 280 . 20 1 1 A 24 24 LEU CA C 24 58.010 57.879 0.131 1
1 281 . 20 1 1 A 24 24 LEU CB C 24 41.320 41.367 -0.047 1
1 285 . 20 1 1 A 24 24 LEU N N 24 117.100 119.256 -2.156 1
1 286 . 20 1 1 A 25 25 SER H H 25 7.226 7.890 -0.664 1
1 287 . 20 1 1 A 25 25 SER HA H 25 4.304 4.070 0.234 1
1 290 . 20 1 1 A 25 25 SER C C 25 178.100 176.685 1.415 1
1 291 . 20 1 1 A 25 25 SER CA C 25 60.900 62.054 -1.154 1
1 292 . 20 1 1 A 25 25 SER CB C 25 62.850 62.736 0.114 1
1 293 . 20 1 1 A 25 25 SER N N 25 111.500 113.990 -2.490 1
1 294 . 20 1 1 A 26 26 ALA H H 26 8.712 8.039 0.673 1
1 295 . 20 1 1 A 26 26 ALA HA H 26 4.138 4.162 -0.024 1
1 299 . 20 1 1 A 26 26 ALA C C 26 180.000 179.983 0.017 1
1 300 . 20 1 1 A 26 26 ALA CA C 26 55.180 54.911 0.269 1
1 301 . 20 1 1 A 26 26 ALA CB C 26 18.200 18.525 -0.325 1
1 302 . 20 1 1 A 26 26 ALA N N 26 126.100 123.917 2.183 1
1 303 . 20 1 1 A 27 27 LEU H H 27 8.050 8.097 -0.047 1
1 304 . 20 1 1 A 27 27 LEU HA H 27 4.314 4.154 0.160 1
1 314 . 20 1 1 A 27 27 LEU C C 27 175.810 176.184 -0.374 1
1 315 . 20 1 1 A 27 27 LEU CA C 27 54.307 54.830 -0.523 1
1 316 . 20 1 1 A 27 27 LEU CB C 27 42.021 42.051 -0.030 1
1 320 . 20 1 1 A 27 27 LEU N N 27 114.250 116.471 -2.221 1
1 321 . 20 1 1 A 28 28 LYS H H 28 7.766 7.717 0.049 1
1 322 . 20 1 1 A 28 28 LYS HA H 28 3.869 3.958 -0.089 1
1 331 . 20 1 1 A 28 28 LYS C C 28 176.030 175.134 0.896 1
1 332 . 20 1 1 A 28 28 LYS CA C 28 56.630 57.219 -0.589 1
1 333 . 20 1 1 A 28 28 LYS CB C 28 28.893 30.875 -1.982 1
1 337 . 20 1 1 A 28 28 LYS N N 28 117.700 119.087 -1.387 1
1 338 . 20 1 1 A 29 29 VAL H H 29 7.583 7.988 -0.405 1
1 339 . 20 1 1 A 29 29 VAL HA H 29 3.520 4.057 -0.537 1
1 347 . 20 1 1 A 29 29 VAL C C 29 176.410 176.167 0.243 1
1 348 . 20 1 1 A 29 29 VAL CA C 29 63.741 63.079 0.662 1
1 349 . 20 1 1 A 29 29 VAL CB C 29 31.840 31.576 0.264 1
1 352 . 20 1 1 A 29 29 VAL N N 29 119.200 119.424 -0.224 1
1 353 . 20 1 1 A 30 30 ALA H H 30 8.543 8.810 -0.267 1
1 354 . 20 1 1 A 30 30 ALA HA H 30 4.215 4.210 0.005 1
1 358 . 20 1 1 A 30 30 ALA C C 30 177.710 177.963 -0.253 1
1 359 . 20 1 1 A 30 30 ALA CA C 30 52.330 54.286 -1.956 1
1 360 . 20 1 1 A 30 30 ALA CB C 30 19.170 18.728 0.442 1
1 361 . 20 1 1 A 30 30 ALA N N 30 131.100 129.489 1.611 1
1 362 . 20 1 1 A 31 31 GLN H H 31 8.982 7.700 1.282 1
1 363 . 20 1 1 A 31 31 GLN HA H 31 4.162 4.742 -0.580 1
1 370 . 20 1 1 A 31 31 GLN C C 31 176.670 175.797 0.873 1
1 371 . 20 1 1 A 31 31 GLN CA C 31 56.100 54.383 1.717 1
1 372 . 20 1 1 A 31 31 GLN CB C 31 27.390 27.064 0.326 1
1 374 . 20 1 1 A 31 31 GLN N N 31 117.300 117.714 -0.414 1
1 376 . 20 1 1 A 32 32 ALA H H 32 8.029 8.429 -0.400 1
1 377 . 20 1 1 A 32 32 ALA HA H 32 3.738 4.373 -0.635 1
1 381 . 20 1 1 A 32 32 ALA C C 32 178.700 178.603 0.097 1
1 382 . 20 1 1 A 32 32 ALA CA C 32 55.010 52.926 2.084 1
1 383 . 20 1 1 A 32 32 ALA CB C 32 18.647 19.490 -0.843 1
1 384 . 20 1 1 A 32 32 ALA N N 32 119.900 126.936 -7.036 1
1 385 . 20 1 1 A 33 33 GLU H H 33 9.338 8.209 1.129 1
1 386 . 20 1 1 A 33 33 GLU HA H 33 4.037 4.384 -0.347 1
1 391 . 20 1 1 A 33 33 GLU C C 33 176.370 177.120 -0.750 1
1 392 . 20 1 1 A 33 33 GLU CA C 33 58.280 57.866 0.414 1
1 393 . 20 1 1 A 33 33 GLU CB C 33 28.670 30.704 -2.034 1
1 395 . 20 1 1 A 33 33 GLU N N 33 116.800 118.543 -1.743 1
1 396 . 20 1 1 A 34 34 TYR H H 34 8.063 7.768 0.295 1
1 397 . 20 1 1 A 34 34 TYR HA H 34 4.820 4.623 0.197 1
1 404 . 20 1 1 A 34 34 TYR C C 34 175.460 174.798 0.662 1
1 405 . 20 1 1 A 34 34 TYR CA C 34 56.800 56.701 0.099 1
1 406 . 20 1 1 A 34 34 TYR CB C 34 39.810 36.639 3.171 1
1 411 . 20 1 1 A 34 34 TYR N N 34 116.100 117.081 -0.981 1
1 412 . 20 1 1 A 35 35 VAL H H 35 7.330 7.496 -0.166 1
1 413 . 20 1 1 A 35 35 VAL HA H 35 4.689 5.447 -0.758 1
1 421 . 20 1 1 A 35 35 VAL C C 35 173.700 174.317 -0.617 1
1 422 . 20 1 1 A 35 35 VAL CA C 35 61.550 59.995 1.555 1
1 423 . 20 1 1 A 35 35 VAL CB C 35 33.650 35.197 -1.547 1
1 426 . 20 1 1 A 35 35 VAL N N 35 121.200 121.285 -0.085 1
1 427 . 20 1 1 A 36 36 THR H H 36 8.879 8.822 0.057 1
1 428 . 20 1 1 A 36 36 THR HA H 36 4.696 5.139 -0.443 1
1 433 . 20 1 1 A 36 36 THR C C 36 172.930 173.532 -0.602 1
1 434 . 20 1 1 A 36 36 THR CA C 36 62.300 61.625 0.675 1
1 435 . 20 1 1 A 36 36 THR CB C 36 70.500 71.326 -0.826 1
1 437 . 20 1 1 A 36 36 THR N N 36 126.800 122.285 4.515 1
1 438 . 20 1 1 A 37 37 VAL H H 37 9.616 8.902 0.714 1
1 439 . 20 1 1 A 37 37 VAL HA H 37 5.072 4.976 0.096 1
1 447 . 20 1 1 A 37 37 VAL C C 37 174.820 174.072 0.748 1
1 448 . 20 1 1 A 37 37 VAL CA C 37 59.440 58.923 0.517 1
1 449 . 20 1 1 A 37 37 VAL CB C 37 35.270 36.190 -0.920 1
1 452 . 20 1 1 A 37 37 VAL N N 37 127.600 118.991 8.609 1
1 453 . 20 1 1 A 38 38 GLU H H 38 8.934 8.833 0.101 1
1 454 . 20 1 1 A 38 38 GLU HA H 38 5.059 5.059 0.000 1
1 459 . 20 1 1 A 38 38 GLU C C 38 174.850 174.308 0.542 1
1 460 . 20 1 1 A 38 38 GLU CA C 38 53.989 54.504 -0.515 1
1 461 . 20 1 1 A 38 38 GLU CB C 38 32.599 33.484 -0.885 1
1 463 . 20 1 1 A 38 38 GLU N N 38 126.700 120.839 5.861 1
1 464 . 20 1 1 A 39 39 LEU H H 39 9.004 9.240 -0.236 1
1 465 . 20 1 1 A 39 39 LEU HA H 39 5.082 4.762 0.320 1
1 474 . 20 1 1 A 39 39 LEU C C 39 175.890 175.781 0.109 1
1 475 . 20 1 1 A 39 39 LEU CA C 39 53.030 53.248 -0.218 1
1 476 . 20 1 1 A 39 39 LEU CB C 39 45.640 43.681 1.959 1
1 479 . 20 1 1 A 39 39 LEU N N 39 128.700 124.750 3.950 1
1 480 . 20 1 1 A 40 40 ASN H H 40 10.210 9.618 0.592 1
1 481 . 20 1 1 A 40 40 ASN HA H 40 4.495 4.475 0.020 1
1 486 . 20 1 1 A 40 40 ASN C C 40 175.620 175.419 0.201 1
1 487 . 20 1 1 A 40 40 ASN CA C 40 54.540 54.591 -0.051 1
1 488 . 20 1 1 A 40 40 ASN CB C 40 37.280 37.337 -0.057 1
1 489 . 20 1 1 A 40 40 ASN N N 40 128.749 125.999 2.750 1
1 491 . 20 1 1 A 41 41 GLY H H 41 8.913 8.318 0.595 1
1 492 . 20 1 1 A 41 41 GLY HA2 H 41 4.162 3.859 0.303 1
1 493 . 20 1 1 A 41 41 GLY HA3 H 41 3.625 3.859 -0.234 1
1 494 . 20 1 1 A 41 41 GLY C C 41 173.380 173.948 -0.568 1
1 495 . 20 1 1 A 41 41 GLY CA C 41 45.220 45.277 -0.057 1
1 496 . 20 1 1 A 41 41 GLY N N 41 102.811 104.496 -1.685 1
1 497 . 20 1 1 A 42 42 GLU H H 42 7.716 8.121 -0.405 1
1 498 . 20 1 1 A 42 42 GLU HA H 42 4.655 4.475 0.180 1
1 503 . 20 1 1 A 42 42 GLU C C 42 175.300 175.833 -0.533 1
1 504 . 20 1 1 A 42 42 GLU CA C 42 54.190 55.833 -1.643 1
1 505 . 20 1 1 A 42 42 GLU CB C 42 31.770 29.675 2.095 1
1 507 . 20 1 1 A 42 42 GLU N N 42 120.731 121.833 -1.102 1
1 508 . 20 1 1 A 43 43 VAL H H 43 8.872 8.462 0.410 1
1 509 . 20 1 1 A 43 43 VAL HA H 43 4.025 4.106 -0.081 1
1 517 . 20 1 1 A 43 43 VAL C C 43 176.260 175.562 0.698 1
1 518 . 20 1 1 A 43 43 VAL CA C 43 64.110 62.888 1.222 1
1 519 . 20 1 1 A 43 43 VAL CB C 43 31.500 33.005 -1.505 1
1 522 . 20 1 1 A 43 43 VAL N N 43 126.800 128.149 -1.349 1
1 523 . 20 1 1 A 44 44 LEU H H 44 8.810 8.448 0.362 1
1 524 . 20 1 1 A 44 44 LEU HA H 44 4.656 4.861 -0.205 1
1 534 . 20 1 1 A 44 44 LEU C C 44 177.620 176.627 0.993 1
1 535 . 20 1 1 A 44 44 LEU CA C 44 53.750 53.288 0.462 1
1 536 . 20 1 1 A 44 44 LEU CB C 44 44.080 43.786 0.294 1
1 540 . 20 1 1 A 44 44 LEU N N 44 129.200 129.068 0.132 1
1 541 . 20 1 1 A 45 45 GLU H H 45 8.742 8.884 -0.142 1
1 542 . 20 1 1 A 45 45 GLU HA H 45 4.465 4.239 0.226 1
1 547 . 20 1 1 A 45 45 GLU C C 45 177.440 177.856 -0.416 1
1 548 . 20 1 1 A 45 45 GLU CA C 45 55.270 56.607 -1.337 1
1 549 . 20 1 1 A 45 45 GLU CB C 45 29.830 29.952 -0.122 1
1 551 . 20 1 1 A 45 45 GLU N N 45 122.500 122.371 0.129 1
1 552 . 20 1 1 A 46 46 ARG H H 46 8.674 8.561 0.113 1
1 553 . 20 1 1 A 46 46 ARG HA H 46 2.384 3.154 -0.770 1
1 560 . 20 1 1 A 46 46 ARG C C 46 179.080 177.249 1.831 1
1 561 . 20 1 1 A 46 46 ARG CA C 46 58.150 58.216 -0.066 1
1 562 . 20 1 1 A 46 46 ARG CB C 46 29.050 29.659 -0.609 1
1 565 . 20 1 1 A 46 46 ARG N N 46 124.600 122.807 1.793 1
1 566 . 20 1 1 A 47 47 GLU H H 47 9.010 7.866 1.144 1
1 567 . 20 1 1 A 47 47 GLU HA H 47 4.008 4.069 -0.061 1
1 572 . 20 1 1 A 47 47 GLU C C 47 176.700 177.633 -0.933 1
1 573 . 20 1 1 A 47 47 GLU CA C 47 58.720 58.594 0.126 1
1 574 . 20 1 1 A 47 47 GLU CB C 47 28.590 29.644 -1.054 1
1 576 . 20 1 1 A 47 47 GLU N N 47 117.300 118.012 -0.712 1
1 577 . 20 1 1 A 48 48 ALA H H 48 8.011 7.508 0.503 1
1 578 . 20 1 1 A 48 48 ALA HA H 48 4.749 4.543 0.206 1
1 582 . 20 1 1 A 48 48 ALA C C 48 180.070 178.527 1.543 1
1 583 . 20 1 1 A 48 48 ALA CA C 48 51.780 51.740 0.040 1
1 584 . 20 1 1 A 48 48 ALA CB C 48 19.390 19.134 0.256 1
1 585 . 20 1 1 A 48 48 ALA N N 48 120.200 121.737 -1.537 1
1 586 . 20 1 1 A 49 49 PHE H H 49 8.002 7.600 0.402 1
1 587 . 20 1 1 A 49 49 PHE HA H 49 4.305 4.263 0.042 1
1 594 . 20 1 1 A 49 49 PHE C C 49 177.710 177.831 -0.121 1
1 595 . 20 1 1 A 49 49 PHE CA C 49 59.969 61.701 -1.732 1
1 596 . 20 1 1 A 49 49 PHE CB C 49 36.820 38.570 -1.750 1
1 601 . 20 1 1 A 49 49 PHE N N 49 123.801 117.557 6.244 1
1 602 . 20 1 1 A 50 50 ASP H H 50 8.558 8.488 0.070 1
1 603 . 20 1 1 A 50 50 ASP HA H 50 4.561 4.467 0.094 1
1 606 . 20 1 1 A 50 50 ASP C C 50 176.610 177.703 -1.093 1
1 607 . 20 1 1 A 50 50 ASP CA C 50 56.100 57.131 -1.031 1
1 608 . 20 1 1 A 50 50 ASP CB C 50 40.350 40.651 -0.301 1
1 609 . 20 1 1 A 50 50 ASP N N 50 115.500 119.334 -3.834 1
1 610 . 20 1 1 A 51 51 ALA H H 51 7.539 7.540 -0.001 1
1 611 . 20 1 1 A 51 51 ALA HA H 51 4.498 4.231 0.267 1
1 615 . 20 1 1 A 51 51 ALA C C 51 177.370 177.147 0.223 1
1 616 . 20 1 1 A 51 51 ALA CA C 51 51.850 53.181 -1.331 1
1 617 . 20 1 1 A 51 51 ALA CB C 51 20.280 19.500 0.780 1
1 618 . 20 1 1 A 51 51 ALA N N 51 119.500 119.783 -0.283 1
1 619 . 20 1 1 A 52 52 THR H H 52 7.503 7.518 -0.015 1
1 620 . 20 1 1 A 52 52 THR HA H 52 4.376 4.690 -0.314 1
1 625 . 20 1 1 A 52 52 THR C C 52 172.780 174.314 -1.534 1
1 626 . 20 1 1 A 52 52 THR CA C 52 63.450 61.621 1.829 1
1 627 . 20 1 1 A 52 52 THR CB C 52 69.910 70.027 -0.117 1
1 629 . 20 1 1 A 52 52 THR N N 52 117.700 113.638 4.062 1
1 630 . 20 1 1 A 53 53 THR H H 53 8.354 8.826 -0.472 1
1 631 . 20 1 1 A 53 53 THR HA H 53 4.521 5.015 -0.494 1
1 636 . 20 1 1 A 53 53 THR C C 53 173.000 173.989 -0.989 1
1 637 . 20 1 1 A 53 53 THR CA C 53 62.110 60.425 1.685 1
1 638 . 20 1 1 A 53 53 THR CB C 53 70.380 70.604 -0.224 1
1 640 . 20 1 1 A 53 53 THR N N 53 120.700 118.977 1.723 1
1 641 . 20 1 1 A 54 54 VAL H H 54 9.223 8.974 0.249 1
1 642 . 20 1 1 A 54 54 VAL HA H 54 4.256 5.058 -0.802 1
1 650 . 20 1 1 A 54 54 VAL C C 54 173.500 174.513 -1.013 1
1 651 . 20 1 1 A 54 54 VAL CA C 54 61.330 60.625 0.705 1
1 652 . 20 1 1 A 54 54 VAL CB C 54 33.090 34.395 -1.305 1
1 655 . 20 1 1 A 54 54 VAL N N 54 126.200 121.924 4.276 1
1 656 . 20 1 1 A 55 55 LYS H H 55 9.074 8.999 0.075 1
1 657 . 20 1 1 A 55 55 LYS HA H 55 4.847 5.029 -0.182 1
1 666 . 20 1 1 A 55 55 LYS C C 55 174.610 174.418 0.192 1
1 667 . 20 1 1 A 55 55 LYS CA C 55 54.265 53.891 0.374 1
1 668 . 20 1 1 A 55 55 LYS CB C 55 36.111 35.921 0.190 1
1 672 . 20 1 1 A 55 55 LYS N N 55 124.700 123.524 1.176 1
1 673 . 20 1 1 A 56 56 ASP H H 56 8.111 8.606 -0.495 1
1 674 . 20 1 1 A 56 56 ASP HA H 56 4.553 4.281 0.272 1
1 677 . 20 1 1 A 56 56 ASP C C 56 177.720 177.397 0.323 1
1 678 . 20 1 1 A 56 56 ASP CA C 56 56.040 55.802 0.238 1
1 679 . 20 1 1 A 56 56 ASP CB C 56 43.070 40.753 2.317 1
1 680 . 20 1 1 A 56 56 ASP N N 56 116.700 122.538 -5.838 1
1 681 . 20 1 1 A 57 57 GLY H H 57 9.330 9.117 0.213 1
1 682 . 20 1 1 A 57 57 GLY HA2 H 57 4.343 3.856 0.487 1
1 683 . 20 1 1 A 57 57 GLY HA3 H 57 3.652 3.857 -0.205 1
1 684 . 20 1 1 A 57 57 GLY C C 57 175.140 173.498 1.642 1
1 685 . 20 1 1 A 57 57 GLY CA C 57 44.869 46.428 -1.559 1
1 686 . 20 1 1 A 57 57 GLY N N 57 113.900 113.412 0.488 1
1 687 . 20 1 1 A 58 58 ASP H H 58 8.104 7.322 0.782 1
1 688 . 20 1 1 A 58 58 ASP HA H 58 4.808 4.947 -0.139 1
1 691 . 20 1 1 A 58 58 ASP C C 58 174.100 175.071 -0.971 1
1 692 . 20 1 1 A 58 58 ASP CA C 58 55.700 52.765 2.935 1
1 693 . 20 1 1 A 58 58 ASP CB C 58 42.080 43.038 -0.958 1
1 694 . 20 1 1 A 58 58 ASP N N 58 122.600 120.316 2.284 1
1 695 . 20 1 1 A 59 59 ALA H H 59 8.326 8.762 -0.436 1
1 696 . 20 1 1 A 59 59 ALA HA H 59 5.208 4.722 0.486 1
1 700 . 20 1 1 A 59 59 ALA C C 59 174.350 176.109 -1.759 1
1 701 . 20 1 1 A 59 59 ALA CA C 59 50.110 51.227 -1.117 1
1 702 . 20 1 1 A 59 59 ALA CB C 59 20.760 18.709 2.051 1
1 703 . 20 1 1 A 59 59 ALA N N 59 121.100 126.119 -5.019 1
1 704 . 20 1 1 A 60 60 VAL H H 60 9.061 8.502 0.559 1
1 705 . 20 1 1 A 60 60 VAL HA H 60 4.117 4.591 -0.474 1
1 713 . 20 1 1 A 60 60 VAL C C 60 174.300 173.808 0.492 1
1 714 . 20 1 1 A 60 60 VAL CA C 60 61.830 61.455 0.375 1
1 715 . 20 1 1 A 60 60 VAL CB C 60 33.640 32.737 0.903 1
1 718 . 20 1 1 A 60 60 VAL N N 60 121.800 124.514 -2.714 1
1 719 . 20 1 1 A 61 61 GLU H H 61 9.027 9.299 -0.272 1
1 720 . 20 1 1 A 61 61 GLU HA H 61 4.778 4.759 0.019 1
1 725 . 20 1 1 A 61 61 GLU C C 61 176.200 174.681 1.519 1
1 726 . 20 1 1 A 61 61 GLU CA C 61 54.152 55.737 -1.585 1
1 727 . 20 1 1 A 61 61 GLU CB C 61 32.477 29.817 2.660 1
1 729 . 20 1 1 A 61 61 GLU N N 61 123.900 128.357 -4.457 1
1 730 . 20 1 1 A 62 62 PHE H H 62 9.075 9.074 0.001 1
1 731 . 20 1 1 A 62 62 PHE HA H 62 5.317 4.624 0.693 1
1 739 . 20 1 1 A 62 62 PHE C C 62 174.490 174.001 0.489 1
1 740 . 20 1 1 A 62 62 PHE CA C 62 54.910 56.809 -1.899 1
1 741 . 20 1 1 A 62 62 PHE CB C 62 39.640 39.760 -0.120 1
1 747 . 20 1 1 A 62 62 PHE N N 62 122.000 126.932 -4.932 1
1 748 . 20 1 1 A 63 63 LEU H H 63 8.996 8.005 0.991 1
1 749 . 20 1 1 A 63 63 LEU HA H 63 4.643 4.657 -0.014 1
1 759 . 20 1 1 A 63 63 LEU C C 63 175.030 175.965 -0.935 1
1 760 . 20 1 1 A 63 63 LEU CA C 63 53.630 53.558 0.072 1
1 761 . 20 1 1 A 63 63 LEU CB C 63 44.680 41.758 2.922 1
1 765 . 20 1 1 A 63 63 LEU N N 63 125.000 127.783 -2.783 1
1 766 . 20 1 1 A 64 64 TYR H H 64 8.669 8.966 -0.297 1
1 767 . 20 1 1 A 64 64 TYR HA H 64 4.758 4.264 0.494 1
1 774 . 20 1 1 A 64 64 TYR C C 64 175.630 174.617 1.013 1
1 775 . 20 1 1 A 64 64 TYR CA C 64 57.460 57.698 -0.238 1
1 776 . 20 1 1 A 64 64 TYR CB C 64 39.690 38.375 1.315 1
1 781 . 20 1 1 A 64 64 TYR N N 64 120.100 124.009 -3.909 1
1 782 . 20 1 1 A 65 65 PHE H H 65 8.688 7.803 0.885 1
1 783 . 20 1 1 A 65 65 PHE HA H 65 4.777 4.117 0.660 1
1 791 . 20 1 1 A 65 65 PHE C C 65 175.940 175.547 0.393 1
1 792 . 20 1 1 A 65 65 PHE CA C 65 57.325 58.962 -1.637 1
1 793 . 20 1 1 A 65 65 PHE CB C 65 39.340 36.276 3.064 1
1 799 . 20 1 1 A 65 65 PHE N N 65 122.100 116.092 6.008 1
1 800 . 20 1 1 A 66 66 MET H H 66 8.611 8.610 0.001 1
1 801 . 20 1 1 A 66 66 MET HA H 66 4.537 4.174 0.363 1
1 806 . 20 1 1 A 66 66 MET C C 66 176.630 176.784 -0.154 1
1 807 . 20 1 1 A 66 66 MET CA C 66 55.370 56.265 -0.895 1
1 808 . 20 1 1 A 66 66 MET CB C 66 32.710 31.402 1.308 1
1 810 . 20 1 1 A 66 66 MET N N 66 121.700 117.237 4.463 1
1 811 . 20 1 1 A 67 67 GLY H H 67 8.213 8.281 -0.068 1
1 812 . 20 1 1 A 67 67 GLY HA2 H 67 3.928 4.220 -0.292 1
1 813 . 20 1 1 A 67 67 GLY HA3 H 67 3.928 4.255 -0.327 1
1 814 . 20 1 1 A 67 67 GLY C C 67 174.800 175.011 -0.211 1
1 815 . 20 1 1 A 67 67 GLY CA C 67 45.359 45.661 -0.302 1
1 816 . 20 1 1 A 67 67 GLY N N 67 109.600 110.767 -1.167 1
1 817 . 20 1 1 A 68 68 GLY H H 68 8.353 8.003 0.350 1
1 818 . 20 1 1 A 68 68 GLY HA2 H 68 4.862 3.889 0.973 1
1 819 . 20 1 1 A 68 68 GLY HA3 H 68 4.861 3.911 0.950 1
1 820 . 20 1 1 A 68 68 GLY C C 68 174.760 174.840 -0.080 1
1 821 . 20 1 1 A 68 68 GLY CA C 68 45.402 45.747 -0.345 1
1 822 . 20 1 1 A 68 68 GLY N N 68 108.600 108.565 0.035 1
1 823 . 20 1 1 A 69 69 GLY H H 69 8.406 8.079 0.327 1
1 824 . 20 1 1 A 69 69 GLY HA2 H 69 3.953 3.844 0.109 1
1 825 . 20 1 1 A 69 69 GLY HA3 H 69 3.953 3.847 0.106 1
1 826 . 20 1 1 A 69 69 GLY C C 69 174.070 174.550 -0.480 1
1 827 . 20 1 1 A 69 69 GLY CA C 69 45.242 47.382 -2.140 1
1 828 . 20 1 1 A 69 69 GLY N N 69 109.100 107.553 1.547 1
1 829 . 20 1 1 A 70 70 LYS H H 70 8.153 8.280 -0.127 1
1 830 . 20 1 1 A 70 70 LYS HA H 70 4.255 4.475 -0.220 1
1 839 . 20 1 1 A 70 70 LYS C C 70 176.490 176.247 0.243 1
1 840 . 20 1 1 A 70 70 LYS CA C 70 56.370 54.681 1.689 1
1 841 . 20 1 1 A 70 70 LYS CB C 70 33.130 33.032 0.098 1
1 845 . 20 1 1 A 70 70 LYS N N 70 120.500 124.625 -4.125 1
1 846 . 20 1 1 A 71 71 LEU H H 71 8.253 7.808 0.445 1
1 847 . 20 1 1 A 71 71 LEU HA H 71 4.285 4.112 0.173 1
1 857 . 20 1 1 A 71 71 LEU C C 71 177.110 174.844 2.266 1
1 858 . 20 1 1 A 71 71 LEU CA C 71 55.120 57.067 -1.947 1
1 859 . 20 1 1 A 71 71 LEU CB C 71 42.236 40.807 1.429 1
1 863 . 20 1 1 A 71 71 LEU N N 71 122.905 118.103 4.802 1
1 864 . 20 1 1 A 72 72 GLU H H 72 8.343 8.167 0.176 1
1 865 . 20 1 1 A 72 72 GLU HA H 72 4.238 4.913 -0.675 1
1 870 . 20 1 1 A 72 72 GLU C C 72 176.100 174.826 1.274 1
1 871 . 20 1 1 A 72 72 GLU CA C 72 56.760 55.615 1.145 1
1 872 . 20 1 1 A 72 72 GLU CB C 72 30.619 32.423 -1.804 1
1 874 . 20 1 1 A 72 72 GLU N N 72 121.500 120.924 0.576 1
1 875 . 20 1 1 A 73 73 HIS H H 73 8.404 9.076 -0.672 1
1 876 . 20 1 1 A 73 73 HIS HA H 73 4.593 5.229 -0.636 1
1 879 . 20 1 1 A 73 73 HIS C C 73 173.840 175.122 -1.282 1
1 880 . 20 1 1 A 73 73 HIS CA C 73 55.777 54.322 1.455 1
1 881 . 20 1 1 A 73 73 HIS CB C 73 30.080 29.868 0.212 1
1 882 . 20 1 1 A 73 73 HIS N N 73 119.733 124.770 -5.037 1
1 883 . 20 1 1 A 74 74 HIS H H 74 8.213 8.863 -0.650 1
1 884 . 20 1 1 A 74 74 HIS CA C 74 57.175 58.687 -1.512 1
1 885 . 20 1 1 A 74 74 HIS CB C 74 30.671 30.605 0.066 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 70 0.998 1
2 1 1 1 "RMS(OBS, PRED)" CA 73 1.192 1
3 1 1 1 "RMS(OBS, PRED)" CB 66 1.434 1
4 1 1 1 "RMS(OBS, PRED)" H 72 0.532 1
5 1 1 1 "RMS(OBS, PRED)" HA 79 0.406 1
6 1 1 1 "RMS(OBS, PRED)" N 71 3.640 1
7 1 2 1 "RMS(OBS, PRED)" C 70 0.827 1
8 1 2 1 "RMS(OBS, PRED)" CA 73 1.100 1
9 1 2 1 "RMS(OBS, PRED)" CB 66 1.908 1
10 1 2 1 "RMS(OBS, PRED)" H 72 0.514 1
11 1 2 1 "RMS(OBS, PRED)" HA 79 0.380 1
12 1 2 1 "RMS(OBS, PRED)" N 71 3.064 1
13 1 3 1 "RMS(OBS, PRED)" C 70 0.892 1
14 1 3 1 "RMS(OBS, PRED)" CA 73 1.186 1
15 1 3 1 "RMS(OBS, PRED)" CB 66 1.521 1
16 1 3 1 "RMS(OBS, PRED)" H 72 0.537 1
17 1 3 1 "RMS(OBS, PRED)" HA 79 0.441 1
18 1 3 1 "RMS(OBS, PRED)" N 71 3.176 1
19 1 4 1 "RMS(OBS, PRED)" C 70 0.863 1
20 1 4 1 "RMS(OBS, PRED)" CA 73 1.285 1
21 1 4 1 "RMS(OBS, PRED)" CB 66 1.527 1
22 1 4 1 "RMS(OBS, PRED)" H 72 0.474 1
23 1 4 1 "RMS(OBS, PRED)" HA 79 0.371 1
24 1 4 1 "RMS(OBS, PRED)" N 71 2.971 1
25 1 5 1 "RMS(OBS, PRED)" C 70 0.978 1
26 1 5 1 "RMS(OBS, PRED)" CA 73 1.400 1
27 1 5 1 "RMS(OBS, PRED)" CB 66 1.619 1
28 1 5 1 "RMS(OBS, PRED)" H 72 0.556 1
29 1 5 1 "RMS(OBS, PRED)" HA 79 0.386 1
30 1 5 1 "RMS(OBS, PRED)" N 71 3.249 1
31 1 6 1 "RMS(OBS, PRED)" C 70 0.988 1
32 1 6 1 "RMS(OBS, PRED)" CA 73 1.315 1
33 1 6 1 "RMS(OBS, PRED)" CB 66 1.594 1
34 1 6 1 "RMS(OBS, PRED)" H 72 0.532 1
35 1 6 1 "RMS(OBS, PRED)" HA 79 0.368 1
36 1 6 1 "RMS(OBS, PRED)" N 71 3.520 1
37 1 7 1 "RMS(OBS, PRED)" C 70 0.942 1
38 1 7 1 "RMS(OBS, PRED)" CA 73 1.161 1
39 1 7 1 "RMS(OBS, PRED)" CB 66 1.683 1
40 1 7 1 "RMS(OBS, PRED)" H 72 0.580 1
41 1 7 1 "RMS(OBS, PRED)" HA 79 0.424 1
42 1 7 1 "RMS(OBS, PRED)" N 71 3.404 1
43 1 8 1 "RMS(OBS, PRED)" C 70 0.889 1
44 1 8 1 "RMS(OBS, PRED)" CA 73 1.135 1
45 1 8 1 "RMS(OBS, PRED)" CB 66 1.498 1
46 1 8 1 "RMS(OBS, PRED)" H 72 0.510 1
47 1 8 1 "RMS(OBS, PRED)" HA 79 0.433 1
48 1 8 1 "RMS(OBS, PRED)" N 71 3.569 1
49 1 9 1 "RMS(OBS, PRED)" C 70 0.938 1
50 1 9 1 "RMS(OBS, PRED)" CA 73 1.284 1
51 1 9 1 "RMS(OBS, PRED)" CB 66 1.219 1
52 1 9 1 "RMS(OBS, PRED)" H 72 0.456 1
53 1 9 1 "RMS(OBS, PRED)" HA 79 0.372 1
54 1 9 1 "RMS(OBS, PRED)" N 71 3.180 1
55 1 10 1 "RMS(OBS, PRED)" C 70 0.956 1
56 1 10 1 "RMS(OBS, PRED)" CA 73 1.190 1
57 1 10 1 "RMS(OBS, PRED)" CB 66 1.271 1
58 1 10 1 "RMS(OBS, PRED)" H 72 0.483 1
59 1 10 1 "RMS(OBS, PRED)" HA 79 0.403 1
60 1 10 1 "RMS(OBS, PRED)" N 71 3.197 1
61 1 11 1 "RMS(OBS, PRED)" C 70 0.985 1
62 1 11 1 "RMS(OBS, PRED)" CA 73 1.173 1
63 1 11 1 "RMS(OBS, PRED)" CB 66 1.345 1
64 1 11 1 "RMS(OBS, PRED)" H 72 0.490 1
65 1 11 1 "RMS(OBS, PRED)" HA 79 0.323 1
66 1 11 1 "RMS(OBS, PRED)" N 71 2.953 1
67 1 12 1 "RMS(OBS, PRED)" C 70 0.950 1
68 1 12 1 "RMS(OBS, PRED)" CA 73 1.143 1
69 1 12 1 "RMS(OBS, PRED)" CB 66 1.368 1
70 1 12 1 "RMS(OBS, PRED)" H 72 0.513 1
71 1 12 1 "RMS(OBS, PRED)" HA 79 0.394 1
72 1 12 1 "RMS(OBS, PRED)" N 71 3.411 1
73 1 13 1 "RMS(OBS, PRED)" C 70 0.869 1
74 1 13 1 "RMS(OBS, PRED)" CA 73 1.255 1
75 1 13 1 "RMS(OBS, PRED)" CB 66 1.258 1
76 1 13 1 "RMS(OBS, PRED)" H 72 0.544 1
77 1 13 1 "RMS(OBS, PRED)" HA 79 0.376 1
78 1 13 1 "RMS(OBS, PRED)" N 71 3.255 1
79 1 14 1 "RMS(OBS, PRED)" C 70 0.919 1
80 1 14 1 "RMS(OBS, PRED)" CA 73 1.229 1
81 1 14 1 "RMS(OBS, PRED)" CB 66 1.363 1
82 1 14 1 "RMS(OBS, PRED)" H 72 0.542 1
83 1 14 1 "RMS(OBS, PRED)" HA 79 0.353 1
84 1 14 1 "RMS(OBS, PRED)" N 71 3.061 1
85 1 15 1 "RMS(OBS, PRED)" C 70 1.056 1
86 1 15 1 "RMS(OBS, PRED)" CA 73 1.205 1
87 1 15 1 "RMS(OBS, PRED)" CB 66 1.329 1
88 1 15 1 "RMS(OBS, PRED)" H 72 0.507 1
89 1 15 1 "RMS(OBS, PRED)" HA 79 0.399 1
90 1 15 1 "RMS(OBS, PRED)" N 71 3.091 1
91 1 16 1 "RMS(OBS, PRED)" C 70 0.979 1
92 1 16 1 "RMS(OBS, PRED)" CA 73 1.315 1
93 1 16 1 "RMS(OBS, PRED)" CB 66 1.447 1
94 1 16 1 "RMS(OBS, PRED)" H 72 0.516 1
95 1 16 1 "RMS(OBS, PRED)" HA 79 0.422 1
96 1 16 1 "RMS(OBS, PRED)" N 71 3.874 1
97 1 17 1 "RMS(OBS, PRED)" C 70 0.924 1
98 1 17 1 "RMS(OBS, PRED)" CA 73 1.209 1
99 1 17 1 "RMS(OBS, PRED)" CB 66 1.438 1
100 1 17 1 "RMS(OBS, PRED)" H 72 0.541 1
101 1 17 1 "RMS(OBS, PRED)" HA 79 0.386 1
102 1 17 1 "RMS(OBS, PRED)" N 71 2.923 1
103 1 18 1 "RMS(OBS, PRED)" C 70 0.816 1
104 1 18 1 "RMS(OBS, PRED)" CA 73 1.176 1
105 1 18 1 "RMS(OBS, PRED)" CB 66 1.551 1
106 1 18 1 "RMS(OBS, PRED)" H 72 0.541 1
107 1 18 1 "RMS(OBS, PRED)" HA 79 0.403 1
108 1 18 1 "RMS(OBS, PRED)" N 71 2.683 1
109 1 19 1 "RMS(OBS, PRED)" C 70 1.008 1
110 1 19 1 "RMS(OBS, PRED)" CA 73 1.442 1
111 1 19 1 "RMS(OBS, PRED)" CB 66 1.482 1
112 1 19 1 "RMS(OBS, PRED)" H 72 0.522 1
113 1 19 1 "RMS(OBS, PRED)" HA 79 0.406 1
114 1 19 1 "RMS(OBS, PRED)" N 71 3.170 1
115 1 20 1 "RMS(OBS, PRED)" C 70 0.856 1
116 1 20 1 "RMS(OBS, PRED)" CA 73 1.110 1
117 1 20 1 "RMS(OBS, PRED)" CB 66 1.307 1
118 1 20 1 "RMS(OBS, PRED)" H 72 0.517 1
119 1 20 1 "RMS(OBS, PRED)" HA 79 0.376 1
120 1 20 1 "RMS(OBS, PRED)" N 71 3.404 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 9 . 1 1 A 2 2 ASN H H 2 9.645 8.786 0.860 2
1 10 . 1 1 A 2 2 ASN HA H 2 5.430 5.220 0.210 2
1 15 . 1 1 A 2 2 ASN CA C 2 52.761 52.859 -0.098 2
1 16 . 1 1 A 2 2 ASN CB C 2 40.140 39.490 0.650 2
1 17 . 1 1 A 2 2 ASN N N 2 125.300 119.790 5.510 2
1 19 . 1 1 A 3 3 LEU H H 3 8.769 9.034 -0.265 2
1 20 . 1 1 A 3 3 LEU HA H 3 4.949 5.111 -0.162 2
1 30 . 1 1 A 3 3 LEU C C 3 176.320 175.834 0.486 2
1 31 . 1 1 A 3 3 LEU CA C 3 54.223 53.371 0.852 2
1 32 . 1 1 A 3 3 LEU CB C 3 45.941 44.972 0.969 2
1 36 . 1 1 A 3 3 LEU N N 3 121.800 124.955 -3.155 2
1 37 . 1 1 A 4 4 THR H H 4 8.329 8.946 -0.617 2
1 38 . 1 1 A 4 4 THR HA H 4 4.744 4.830 -0.086 2
1 43 . 1 1 A 4 4 THR C C 4 173.650 173.725 -0.075 2
1 44 . 1 1 A 4 4 THR CA C 4 62.150 61.989 0.161 2
1 45 . 1 1 A 4 4 THR CB C 4 69.430 68.682 0.748 2
1 47 . 1 1 A 4 4 THR N N 4 116.200 119.056 -2.856 2
1 48 . 1 1 A 5 5 VAL H H 5 8.955 8.581 0.374 2
1 49 . 1 1 A 5 5 VAL HA H 5 4.683 4.700 -0.017 2
1 57 . 1 1 A 5 5 VAL C C 5 176.470 175.996 0.474 2
1 58 . 1 1 A 5 5 VAL CA C 5 60.724 61.382 -0.658 2
1 59 . 1 1 A 5 5 VAL CB C 5 33.590 32.651 0.939 2
1 62 . 1 1 A 5 5 VAL N N 5 126.000 125.841 0.159 2
1 63 . 1 1 A 6 6 ASN H H 6 9.534 9.561 -0.027 2
1 64 . 1 1 A 6 6 ASN HA H 6 4.636 4.492 0.144 2
1 69 . 1 1 A 6 6 ASN C C 6 175.900 175.450 0.450 2
1 70 . 1 1 A 6 6 ASN CA C 6 54.150 54.569 -0.419 2
1 71 . 1 1 A 6 6 ASN CB C 6 36.410 37.129 -0.719 2
1 72 . 1 1 A 6 6 ASN N N 6 129.400 126.512 2.888 2
1 74 . 1 1 A 7 7 GLY H H 7 8.915 8.427 0.488 2
1 75 . 1 1 A 7 7 GLY HA2 H 7 4.170 3.874 0.296 2
1 76 . 1 1 A 7 7 GLY HA3 H 7 3.485 3.879 -0.394 2
1 77 . 1 1 A 7 7 GLY C C 7 173.950 173.737 0.213 2
1 78 . 1 1 A 7 7 GLY CA C 7 45.337 45.429 -0.092 2
1 79 . 1 1 A 7 7 GLY N N 7 102.200 104.709 -2.509 2
1 80 . 1 1 A 8 8 LYS H H 8 7.900 8.015 -0.115 2
1 81 . 1 1 A 8 8 LYS HA H 8 4.987 4.660 0.327 2
1 90 . 1 1 A 8 8 LYS CA C 8 52.940 52.905 0.035 2
1 91 . 1 1 A 8 8 LYS CB C 8 34.010 33.494 0.516 2
1 95 . 1 1 A 8 8 LYS N N 8 121.700 121.283 0.417 2
1 96 . 1 1 A 9 9 PRO HA H 9 4.700 4.702 -0.002 2
1 103 . 1 1 A 9 9 PRO C C 9 176.900 175.648 1.252 2
1 104 . 1 1 A 9 9 PRO CA C 9 63.990 62.721 1.269 2
1 105 . 1 1 A 9 9 PRO CB C 9 32.000 31.496 0.504 2
1 108 . 1 1 A 10 10 SER H H 10 8.970 8.919 0.051 2
1 109 . 1 1 A 10 10 SER HA H 10 4.822 4.986 -0.164 2
1 112 . 1 1 A 10 10 SER C C 10 172.800 172.961 -0.161 2
1 113 . 1 1 A 10 10 SER CA C 10 57.880 56.964 0.916 2
1 114 . 1 1 A 10 10 SER CB C 10 66.361 65.251 1.110 2
1 115 . 1 1 A 10 10 SER N N 10 120.300 117.860 2.440 2
1 116 . 1 1 A 11 11 THR H H 11 8.590 8.825 -0.235 2
1 117 . 1 1 A 11 11 THR HA H 11 5.163 4.850 0.313 2
1 122 . 1 1 A 11 11 THR C C 11 173.720 173.449 0.271 2
1 123 . 1 1 A 11 11 THR CA C 11 61.380 61.888 -0.508 2
1 124 . 1 1 A 11 11 THR CB C 11 71.950 69.894 2.056 2
1 126 . 1 1 A 11 11 THR N N 11 120.191 120.158 0.033 2
1 127 . 1 1 A 12 12 VAL H H 12 8.563 8.647 -0.084 2
1 128 . 1 1 A 12 12 VAL HA H 12 4.172 4.704 -0.532 2
1 136 . 1 1 A 12 12 VAL C C 12 175.380 174.405 0.975 2
1 137 . 1 1 A 12 12 VAL CA C 12 61.350 60.909 0.441 2
1 138 . 1 1 A 12 12 VAL CB C 12 33.053 32.884 0.169 2
1 141 . 1 1 A 12 12 VAL N N 12 125.000 123.188 1.812 2
1 142 . 1 1 A 13 13 ASP H H 13 8.878 8.793 0.085 2
1 143 . 1 1 A 13 13 ASP HA H 13 4.501 4.510 -0.009 2
1 146 . 1 1 A 13 13 ASP C C 13 177.180 176.944 0.236 2
1 147 . 1 1 A 13 13 ASP CA C 13 55.120 54.917 0.203 2
1 148 . 1 1 A 13 13 ASP CB C 13 41.450 41.359 0.091 2
1 149 . 1 1 A 13 13 ASP N N 13 128.300 127.081 1.219 2
1 150 . 1 1 A 14 14 GLY H H 14 8.697 8.818 -0.121 2
1 151 . 1 1 A 14 14 GLY HA2 H 14 4.076 3.941 0.135 2
1 152 . 1 1 A 14 14 GLY HA3 H 14 3.719 3.943 -0.224 2
1 153 . 1 1 A 14 14 GLY C C 14 173.244 173.990 -0.746 2
1 154 . 1 1 A 14 14 GLY CA C 14 45.887 45.565 0.322 2
1 155 . 1 1 A 14 14 GLY N N 14 109.900 113.700 -3.800 2
1 156 . 1 1 A 15 15 ALA H H 15 7.360 7.723 -0.363 2
1 157 . 1 1 A 15 15 ALA HA H 15 4.601 4.443 0.158 2
1 161 . 1 1 A 15 15 ALA C C 15 176.240 176.773 -0.533 2
1 162 . 1 1 A 15 15 ALA CA C 15 51.370 51.743 -0.373 2
1 163 . 1 1 A 15 15 ALA CB C 15 20.970 19.992 0.977 2
1 164 . 1 1 A 15 15 ALA N N 15 121.213 122.758 -1.545 2
1 165 . 1 1 A 16 16 GLU H H 16 8.967 8.851 0.116 2
1 166 . 1 1 A 16 16 GLU HA H 16 4.406 4.503 -0.097 2
1 171 . 1 1 A 16 16 GLU C C 16 175.800 176.174 -0.374 2
1 172 . 1 1 A 16 16 GLU CA C 16 57.170 57.066 0.104 2
1 173 . 1 1 A 16 16 GLU CB C 16 30.700 30.717 -0.017 2
1 175 . 1 1 A 16 16 GLU N N 16 120.800 123.477 -2.677 2
1 176 . 1 1 A 17 17 SER H H 17 7.587 8.069 -0.482 2
1 177 . 1 1 A 17 17 SER HA H 17 4.891 4.785 0.106 2
1 180 . 1 1 A 17 17 SER C C 17 172.400 173.042 -0.642 2
1 181 . 1 1 A 17 17 SER CA C 17 57.797 57.906 -0.108 2
1 182 . 1 1 A 17 17 SER CB C 17 64.571 64.230 0.341 2
1 183 . 1 1 A 17 17 SER N N 17 111.600 113.912 -2.312 2
1 184 . 1 1 A 18 18 LEU H H 18 8.285 8.520 -0.235 2
1 185 . 1 1 A 18 18 LEU HA H 18 4.810 4.918 -0.108 2
1 195 . 1 1 A 18 18 LEU C C 18 175.800 176.007 -0.207 2
1 196 . 1 1 A 18 18 LEU CA C 18 54.230 53.583 0.647 2
1 197 . 1 1 A 18 18 LEU CB C 18 47.430 45.110 2.320 2
1 201 . 1 1 A 18 18 LEU N N 18 122.165 122.972 -0.807 2
1 202 . 1 1 A 19 19 ASN H H 19 8.920 8.766 0.154 2
1 203 . 1 1 A 19 19 ASN HA H 19 5.768 5.115 0.653 2
1 208 . 1 1 A 19 19 ASN C C 19 176.170 176.679 -0.509 2
1 209 . 1 1 A 19 19 ASN CA C 19 51.650 52.933 -1.283 2
1 210 . 1 1 A 19 19 ASN CB C 19 38.430 39.562 -1.132 2
1 211 . 1 1 A 19 19 ASN N N 19 118.700 119.297 -0.597 2
1 213 . 1 1 A 20 20 VAL H H 20 7.805 8.729 -0.924 2
1 214 . 1 1 A 20 20 VAL HA H 20 3.297 3.653 -0.356 2
1 222 . 1 1 A 20 20 VAL C C 20 176.770 177.297 -0.527 2
1 223 . 1 1 A 20 20 VAL CA C 20 67.360 66.203 1.157 2
1 224 . 1 1 A 20 20 VAL CB C 20 30.940 31.531 -0.591 2
1 227 . 1 1 A 20 20 VAL N N 20 117.900 121.745 -3.845 2
1 228 . 1 1 A 21 21 THR H H 21 7.230 8.144 -0.914 2
1 229 . 1 1 A 21 21 THR HA H 21 3.665 3.840 -0.175 2
1 234 . 1 1 A 21 21 THR C C 21 177.360 176.243 1.117 2
1 235 . 1 1 A 21 21 THR CA C 21 67.077 67.232 -0.155 2
1 236 . 1 1 A 21 21 THR CB C 21 68.460 68.629 -0.168 2
1 238 . 1 1 A 21 21 THR N N 21 117.400 116.923 0.477 2
1 239 . 1 1 A 22 22 GLU H H 22 8.750 8.129 0.621 2
1 240 . 1 1 A 22 22 GLU HA H 22 4.046 4.057 -0.011 2
1 245 . 1 1 A 22 22 GLU C C 22 179.910 179.125 0.785 2
1 246 . 1 1 A 22 22 GLU CA C 22 58.550 59.191 -0.641 2
1 247 . 1 1 A 22 22 GLU CB C 22 30.550 29.393 1.157 2
1 249 . 1 1 A 22 22 GLU N N 22 121.238 119.978 1.260 2
1 250 . 1 1 A 23 23 LEU H H 23 8.766 8.085 0.681 2
1 251 . 1 1 A 23 23 LEU HA H 23 3.935 4.045 -0.110 2
1 261 . 1 1 A 23 23 LEU C C 23 177.800 178.393 -0.593 2
1 262 . 1 1 A 23 23 LEU CA C 23 58.240 58.165 0.075 2
1 263 . 1 1 A 23 23 LEU CB C 23 41.844 41.468 0.376 2
1 267 . 1 1 A 23 23 LEU N N 23 123.900 122.140 1.760 2
1 268 . 1 1 A 24 24 LEU H H 24 8.305 8.351 -0.046 2
1 269 . 1 1 A 24 24 LEU HA H 24 3.690 3.965 -0.275 2
1 279 . 1 1 A 24 24 LEU C C 24 179.620 179.217 0.403 2
1 280 . 1 1 A 24 24 LEU CA C 24 58.010 57.908 0.102 2
1 281 . 1 1 A 24 24 LEU CB C 24 41.320 41.370 -0.050 2
1 285 . 1 1 A 24 24 LEU N N 24 117.100 119.105 -2.005 2
1 286 . 1 1 A 25 25 SER H H 25 7.226 8.001 -0.775 2
1 287 . 1 1 A 25 25 SER HA H 25 4.304 4.168 0.135 2
1 290 . 1 1 A 25 25 SER C C 25 178.100 176.983 1.117 2
1 291 . 1 1 A 25 25 SER CA C 25 60.900 61.438 -0.538 2
1 292 . 1 1 A 25 25 SER CB C 25 62.850 62.951 -0.101 2
1 293 . 1 1 A 25 25 SER N N 25 111.500 114.672 -3.172 2
1 294 . 1 1 A 26 26 ALA H H 26 8.712 8.163 0.549 2
1 295 . 1 1 A 26 26 ALA HA H 26 4.138 4.135 0.003 2
1 299 . 1 1 A 26 26 ALA C C 26 180.000 179.675 0.325 2
1 300 . 1 1 A 26 26 ALA CA C 26 55.180 54.881 0.299 2
1 301 . 1 1 A 26 26 ALA CB C 26 18.200 18.378 -0.178 2
1 302 . 1 1 A 26 26 ALA N N 26 126.100 123.511 2.589 2
1 303 . 1 1 A 27 27 LEU H H 27 8.050 7.721 0.329 2
1 304 . 1 1 A 27 27 LEU HA H 27 4.314 4.178 0.136 2
1 314 . 1 1 A 27 27 LEU C C 27 175.810 176.376 -0.566 2
1 315 . 1 1 A 27 27 LEU CA C 27 54.307 55.599 -1.292 2
1 316 . 1 1 A 27 27 LEU CB C 27 42.021 42.321 -0.300 2
1 320 . 1 1 A 27 27 LEU N N 27 114.250 116.912 -2.662 2
1 321 . 1 1 A 28 28 LYS H H 28 7.766 7.849 -0.083 2
1 322 . 1 1 A 28 28 LYS HA H 28 3.869 3.951 -0.082 2
1 331 . 1 1 A 28 28 LYS C C 28 176.030 175.501 0.529 2
1 332 . 1 1 A 28 28 LYS CA C 28 56.630 57.180 -0.550 2
1 333 . 1 1 A 28 28 LYS CB C 28 28.893 30.582 -1.689 2
1 337 . 1 1 A 28 28 LYS N N 28 117.700 118.330 -0.630 2
1 338 . 1 1 A 29 29 VAL H H 29 7.583 7.836 -0.253 2
1 339 . 1 1 A 29 29 VAL HA H 29 3.520 4.372 -0.852 2
1 347 . 1 1 A 29 29 VAL C C 29 176.410 175.996 0.414 2
1 348 . 1 1 A 29 29 VAL CA C 29 63.741 61.581 2.160 2
1 349 . 1 1 A 29 29 VAL CB C 29 31.840 32.941 -1.101 2
1 352 . 1 1 A 29 29 VAL N N 29 119.200 121.056 -1.856 2
1 353 . 1 1 A 30 30 ALA H H 30 8.543 8.691 -0.148 2
1 354 . 1 1 A 30 30 ALA HA H 30 4.215 4.254 -0.039 2
1 358 . 1 1 A 30 30 ALA C C 30 177.710 177.870 -0.160 2
1 359 . 1 1 A 30 30 ALA CA C 30 52.330 53.847 -1.517 2
1 360 . 1 1 A 30 30 ALA CB C 30 19.170 19.099 0.071 2
1 361 . 1 1 A 30 30 ALA N N 30 131.100 129.102 1.998 2
1 362 . 1 1 A 31 31 GLN H H 31 8.982 8.183 0.799 2
1 363 . 1 1 A 31 31 GLN HA H 31 4.162 4.575 -0.413 2
1 370 . 1 1 A 31 31 GLN C C 31 176.670 175.982 0.688 2
1 371 . 1 1 A 31 31 GLN CA C 31 56.100 55.370 0.730 2
1 372 . 1 1 A 31 31 GLN CB C 31 27.390 28.286 -0.896 2
1 374 . 1 1 A 31 31 GLN N N 31 117.300 116.884 0.416 2
1 376 . 1 1 A 32 32 ALA H H 32 8.029 8.218 -0.189 2
1 377 . 1 1 A 32 32 ALA HA H 32 3.738 4.155 -0.417 2
1 381 . 1 1 A 32 32 ALA C C 32 178.700 179.218 -0.518 2
1 382 . 1 1 A 32 32 ALA CA C 32 55.010 54.364 0.646 2
1 383 . 1 1 A 32 32 ALA CB C 32 18.647 18.912 -0.265 2
1 384 . 1 1 A 32 32 ALA N N 32 119.900 123.992 -4.092 2
1 385 . 1 1 A 33 33 GLU H H 33 9.338 8.046 1.292 2
1 386 . 1 1 A 33 33 GLU HA H 33 4.037 4.096 -0.059 2
1 391 . 1 1 A 33 33 GLU C C 33 176.370 177.149 -0.779 2
1 392 . 1 1 A 33 33 GLU CA C 33 58.280 58.222 0.058 2
1 393 . 1 1 A 33 33 GLU CB C 33 28.670 29.409 -0.739 2
1 395 . 1 1 A 33 33 GLU N N 33 116.800 118.172 -1.372 2
1 396 . 1 1 A 34 34 TYR H H 34 8.063 7.961 0.102 2
1 397 . 1 1 A 34 34 TYR HA H 34 4.820 4.702 0.118 2
1 404 . 1 1 A 34 34 TYR C C 34 175.460 175.545 -0.085 2
1 405 . 1 1 A 34 34 TYR CA C 34 56.800 58.194 -1.394 2
1 406 . 1 1 A 34 34 TYR CB C 34 39.810 38.943 0.867 2
1 411 . 1 1 A 34 34 TYR N N 34 116.100 117.125 -1.025 2
1 412 . 1 1 A 35 35 VAL H H 35 7.330 7.367 -0.037 2
1 413 . 1 1 A 35 35 VAL HA H 35 4.689 3.776 0.913 2
1 421 . 1 1 A 35 35 VAL C C 35 173.700 174.726 -1.026 2
1 422 . 1 1 A 35 35 VAL CA C 35 61.550 61.831 -0.281 2
1 423 . 1 1 A 35 35 VAL CB C 35 33.650 32.380 1.270 2
1 426 . 1 1 A 35 35 VAL N N 35 121.200 121.036 0.164 2
1 427 . 1 1 A 36 36 THR H H 36 8.879 8.218 0.661 2
1 428 . 1 1 A 36 36 THR HA H 36 4.696 4.820 -0.124 2
1 433 . 1 1 A 36 36 THR C C 36 172.930 173.911 -0.981 2
1 434 . 1 1 A 36 36 THR CA C 36 62.300 61.987 0.313 2
1 435 . 1 1 A 36 36 THR CB C 36 70.500 69.028 1.472 2
1 437 . 1 1 A 36 36 THR N N 36 126.800 123.838 2.962 2
1 438 . 1 1 A 37 37 VAL H H 37 9.616 8.873 0.743 2
1 439 . 1 1 A 37 37 VAL HA H 37 5.072 4.945 0.127 2
1 447 . 1 1 A 37 37 VAL C C 37 174.820 174.619 0.201 2
1 448 . 1 1 A 37 37 VAL CA C 37 59.440 59.180 0.260 2
1 449 . 1 1 A 37 37 VAL CB C 37 35.270 34.951 0.319 2
1 452 . 1 1 A 37 37 VAL N N 37 127.600 120.471 7.129 2
1 453 . 1 1 A 38 38 GLU H H 38 8.934 8.797 0.137 2
1 454 . 1 1 A 38 38 GLU HA H 38 5.059 5.147 -0.088 2
1 459 . 1 1 A 38 38 GLU C C 38 174.850 174.768 0.082 2
1 460 . 1 1 A 38 38 GLU CA C 38 53.989 54.690 -0.701 2
1 461 . 1 1 A 38 38 GLU CB C 38 32.599 32.611 -0.012 2
1 463 . 1 1 A 38 38 GLU N N 38 126.700 122.496 4.204 2
1 464 . 1 1 A 39 39 LEU H H 39 9.004 8.697 0.307 2
1 465 . 1 1 A 39 39 LEU HA H 39 5.082 4.701 0.381 2
1 474 . 1 1 A 39 39 LEU C C 39 175.890 176.559 -0.669 2
1 475 . 1 1 A 39 39 LEU CA C 39 53.030 54.044 -1.014 2
1 476 . 1 1 A 39 39 LEU CB C 39 45.640 43.011 2.629 2
1 479 . 1 1 A 39 39 LEU N N 39 128.700 124.077 4.623 2
1 480 . 1 1 A 40 40 ASN H H 40 10.210 9.660 0.550 2
1 481 . 1 1 A 40 40 ASN HA H 40 4.495 4.471 0.024 2
1 486 . 1 1 A 40 40 ASN C C 40 175.620 175.412 0.208 2
1 487 . 1 1 A 40 40 ASN CA C 40 54.540 54.476 0.064 2
1 488 . 1 1 A 40 40 ASN CB C 40 37.280 37.145 0.135 2
1 489 . 1 1 A 40 40 ASN N N 40 128.749 123.453 5.296 2
1 491 . 1 1 A 41 41 GLY H H 41 8.913 8.463 0.450 2
1 492 . 1 1 A 41 41 GLY HA2 H 41 4.162 3.920 0.242 2
1 493 . 1 1 A 41 41 GLY HA3 H 41 3.625 3.923 -0.298 2
1 494 . 1 1 A 41 41 GLY C C 41 173.380 173.713 -0.333 2
1 495 . 1 1 A 41 41 GLY CA C 41 45.220 45.504 -0.284 2
1 496 . 1 1 A 41 41 GLY N N 41 102.811 104.696 -1.885 2
1 497 . 1 1 A 42 42 GLU H H 42 7.716 7.795 -0.079 2
1 498 . 1 1 A 42 42 GLU HA H 42 4.655 4.675 -0.020 2
1 503 . 1 1 A 42 42 GLU C C 42 175.300 175.360 -0.060 2
1 504 . 1 1 A 42 42 GLU CA C 42 54.190 55.276 -1.086 2
1 505 . 1 1 A 42 42 GLU CB C 42 31.770 31.824 -0.054 2
1 507 . 1 1 A 42 42 GLU N N 42 120.731 120.426 0.305 2
1 508 . 1 1 A 43 43 VAL H H 43 8.872 8.612 0.260 2
1 509 . 1 1 A 43 43 VAL HA H 43 4.025 4.347 -0.322 2
1 517 . 1 1 A 43 43 VAL C C 43 176.260 175.208 1.052 2
1 518 . 1 1 A 43 43 VAL CA C 43 64.110 62.340 1.770 2
1 519 . 1 1 A 43 43 VAL CB C 43 31.500 33.034 -1.534 2
1 522 . 1 1 A 43 43 VAL N N 43 126.800 127.167 -0.367 2
1 523 . 1 1 A 44 44 LEU H H 44 8.810 8.525 0.285 2
1 524 . 1 1 A 44 44 LEU HA H 44 4.656 4.799 -0.143 2
1 534 . 1 1 A 44 44 LEU C C 44 177.620 176.209 1.411 2
1 535 . 1 1 A 44 44 LEU CA C 44 53.750 53.321 0.429 2
1 536 . 1 1 A 44 44 LEU CB C 44 44.080 43.614 0.466 2
1 540 . 1 1 A 44 44 LEU N N 44 129.200 128.708 0.491 2
1 541 . 1 1 A 45 45 GLU H H 45 8.742 8.593 0.149 2
1 542 . 1 1 A 45 45 GLU HA H 45 4.465 4.297 0.168 2
1 547 . 1 1 A 45 45 GLU C C 45 177.440 177.542 -0.102 2
1 548 . 1 1 A 45 45 GLU CA C 45 55.270 56.173 -0.903 2
1 549 . 1 1 A 45 45 GLU CB C 45 29.830 31.172 -1.342 2
1 551 . 1 1 A 45 45 GLU N N 45 122.500 122.423 0.077 2
1 552 . 1 1 A 46 46 ARG H H 46 8.674 8.671 0.003 2
1 553 . 1 1 A 46 46 ARG HA H 46 2.384 3.310 -0.926 2
1 560 . 1 1 A 46 46 ARG C C 46 179.080 177.557 1.523 2
1 561 . 1 1 A 46 46 ARG CA C 46 58.150 59.202 -1.052 2
1 562 . 1 1 A 46 46 ARG CB C 46 29.050 29.777 -0.727 2
1 565 . 1 1 A 46 46 ARG N N 46 124.600 124.291 0.309 2
1 566 . 1 1 A 47 47 GLU H H 47 9.010 7.979 1.031 2
1 567 . 1 1 A 47 47 GLU HA H 47 4.008 4.131 -0.123 2
1 572 . 1 1 A 47 47 GLU C C 47 176.700 178.261 -1.561 2
1 573 . 1 1 A 47 47 GLU CA C 47 58.720 57.921 0.799 2
1 574 . 1 1 A 47 47 GLU CB C 47 28.590 29.386 -0.796 2
1 576 . 1 1 A 47 47 GLU N N 47 117.300 118.157 -0.857 2
1 577 . 1 1 A 48 48 ALA H H 48 8.011 7.822 0.189 2
1 578 . 1 1 A 48 48 ALA HA H 48 4.749 4.188 0.561 2
1 582 . 1 1 A 48 48 ALA C C 48 180.070 179.176 0.894 2
1 583 . 1 1 A 48 48 ALA CA C 48 51.780 53.984 -2.204 2
1 584 . 1 1 A 48 48 ALA CB C 48 19.390 18.606 0.784 2
1 585 . 1 1 A 48 48 ALA N N 48 120.200 122.353 -2.153 2
1 586 . 1 1 A 49 49 PHE H H 49 8.002 7.441 0.561 2
1 587 . 1 1 A 49 49 PHE HA H 49 4.305 4.301 0.004 2
1 594 . 1 1 A 49 49 PHE C C 49 177.710 177.925 -0.215 2
1 595 . 1 1 A 49 49 PHE CA C 49 59.969 61.419 -1.450 2
1 596 . 1 1 A 49 49 PHE CB C 49 36.820 38.365 -1.545 2
1 601 . 1 1 A 49 49 PHE N N 49 123.801 116.352 7.449 2
1 602 . 1 1 A 50 50 ASP H H 50 8.558 8.281 0.277 2
1 603 . 1 1 A 50 50 ASP HA H 50 4.561 4.456 0.105 2
1 606 . 1 1 A 50 50 ASP C C 50 176.610 177.958 -1.348 2
1 607 . 1 1 A 50 50 ASP CA C 50 56.100 57.065 -0.965 2
1 608 . 1 1 A 50 50 ASP CB C 50 40.350 40.750 -0.400 2
1 609 . 1 1 A 50 50 ASP N N 50 115.500 119.328 -3.828 2
1 610 . 1 1 A 51 51 ALA H H 51 7.539 7.518 0.021 2
1 611 . 1 1 A 51 51 ALA HA H 51 4.498 4.281 0.217 2
1 615 . 1 1 A 51 51 ALA C C 51 177.370 177.233 0.137 2
1 616 . 1 1 A 51 51 ALA CA C 51 51.850 53.535 -1.685 2
1 617 . 1 1 A 51 51 ALA CB C 51 20.280 19.259 1.021 2
1 618 . 1 1 A 51 51 ALA N N 51 119.500 120.108 -0.608 2
1 619 . 1 1 A 52 52 THR H H 52 7.503 7.746 -0.243 2
1 620 . 1 1 A 52 52 THR HA H 52 4.376 4.541 -0.165 2
1 625 . 1 1 A 52 52 THR C C 52 172.780 173.848 -1.068 2
1 626 . 1 1 A 52 52 THR CA C 52 63.450 62.374 1.076 2
1 627 . 1 1 A 52 52 THR CB C 52 69.910 69.621 0.289 2
1 629 . 1 1 A 52 52 THR N N 52 117.700 113.776 3.924 2
1 630 . 1 1 A 53 53 THR H H 53 8.354 8.786 -0.432 2
1 631 . 1 1 A 53 53 THR HA H 53 4.521 4.901 -0.380 2
1 636 . 1 1 A 53 53 THR C C 53 173.000 174.112 -1.112 2
1 637 . 1 1 A 53 53 THR CA C 53 62.110 61.467 0.644 2
1 638 . 1 1 A 53 53 THR CB C 53 70.380 69.761 0.619 2
1 640 . 1 1 A 53 53 THR N N 53 120.700 121.207 -0.507 2
1 641 . 1 1 A 54 54 VAL H H 54 9.223 9.011 0.212 2
1 642 . 1 1 A 54 54 VAL HA H 54 4.256 4.524 -0.268 2
1 650 . 1 1 A 54 54 VAL C C 54 173.500 175.321 -1.821 2
1 651 . 1 1 A 54 54 VAL CA C 54 61.330 61.883 -0.553 2
1 652 . 1 1 A 54 54 VAL CB C 54 33.090 32.662 0.428 2
1 655 . 1 1 A 54 54 VAL N N 54 126.200 126.774 -0.574 2
1 656 . 1 1 A 55 55 LYS H H 55 9.074 8.906 0.168 2
1 657 . 1 1 A 55 55 LYS HA H 55 4.847 4.943 -0.096 2
1 666 . 1 1 A 55 55 LYS C C 55 174.610 174.697 -0.087 2
1 667 . 1 1 A 55 55 LYS CA C 55 54.265 54.198 0.067 2
1 668 . 1 1 A 55 55 LYS CB C 55 36.111 35.402 0.709 2
1 672 . 1 1 A 55 55 LYS N N 55 124.700 124.294 0.406 2
1 673 . 1 1 A 56 56 ASP H H 56 8.111 8.607 -0.496 2
1 674 . 1 1 A 56 56 ASP HA H 56 4.553 4.367 0.186 2
1 677 . 1 1 A 56 56 ASP C C 56 177.720 177.005 0.715 2
1 678 . 1 1 A 56 56 ASP CA C 56 56.040 55.474 0.566 2
1 679 . 1 1 A 56 56 ASP CB C 56 43.070 40.382 2.688 2
1 680 . 1 1 A 56 56 ASP N N 56 116.700 121.740 -5.040 2
1 681 . 1 1 A 57 57 GLY H H 57 9.330 8.835 0.495 2
1 682 . 1 1 A 57 57 GLY HA2 H 57 4.343 3.955 0.388 2
1 683 . 1 1 A 57 57 GLY HA3 H 57 3.652 3.956 -0.304 2
1 684 . 1 1 A 57 57 GLY C C 57 175.140 173.494 1.646 2
1 685 . 1 1 A 57 57 GLY CA C 57 44.869 46.015 -1.146 2
1 686 . 1 1 A 57 57 GLY N N 57 113.900 113.007 0.893 2
1 687 . 1 1 A 58 58 ASP H H 58 8.104 7.670 0.434 2
1 688 . 1 1 A 58 58 ASP HA H 58 4.808 5.019 -0.211 2
1 691 . 1 1 A 58 58 ASP C C 58 174.100 174.735 -0.635 2
1 692 . 1 1 A 58 58 ASP CA C 58 55.700 52.987 2.713 2
1 693 . 1 1 A 58 58 ASP CB C 58 42.080 43.685 -1.605 2
1 694 . 1 1 A 58 58 ASP N N 58 122.600 119.976 2.624 2
1 695 . 1 1 A 59 59 ALA H H 59 8.326 8.735 -0.408 2
1 696 . 1 1 A 59 59 ALA HA H 59 5.208 4.989 0.219 2
1 700 . 1 1 A 59 59 ALA C C 59 174.350 175.964 -1.614 2
1 701 . 1 1 A 59 59 ALA CA C 59 50.110 50.974 -0.864 2
1 702 . 1 1 A 59 59 ALA CB C 59 20.760 19.682 1.078 2
1 703 . 1 1 A 59 59 ALA N N 59 121.100 124.796 -3.696 2
1 704 . 1 1 A 60 60 VAL H H 60 9.061 8.640 0.421 2
1 705 . 1 1 A 60 60 VAL HA H 60 4.117 4.632 -0.515 2
1 713 . 1 1 A 60 60 VAL C C 60 174.300 174.345 -0.045 2
1 714 . 1 1 A 60 60 VAL CA C 60 61.830 61.136 0.694 2
1 715 . 1 1 A 60 60 VAL CB C 60 33.640 33.049 0.591 2
1 718 . 1 1 A 60 60 VAL N N 60 121.800 122.627 -0.827 2
1 719 . 1 1 A 61 61 GLU H H 61 9.027 8.901 0.126 2
1 720 . 1 1 A 61 61 GLU HA H 61 4.778 4.782 -0.004 2
1 725 . 1 1 A 61 61 GLU C C 61 176.200 175.175 1.024 2
1 726 . 1 1 A 61 61 GLU CA C 61 54.152 55.811 -1.659 2
1 727 . 1 1 A 61 61 GLU CB C 61 32.477 30.027 2.450 2
1 729 . 1 1 A 61 61 GLU N N 61 123.900 128.498 -4.598 2
1 730 . 1 1 A 62 62 PHE H H 62 9.075 9.025 0.050 2
1 731 . 1 1 A 62 62 PHE HA H 62 5.317 4.945 0.372 2
1 739 . 1 1 A 62 62 PHE C C 62 174.490 174.914 -0.424 2
1 740 . 1 1 A 62 62 PHE CA C 62 54.910 57.049 -2.139 2
1 741 . 1 1 A 62 62 PHE CB C 62 39.640 40.095 -0.455 2
1 747 . 1 1 A 62 62 PHE N N 62 122.000 126.012 -4.012 2
1 748 . 1 1 A 63 63 LEU H H 63 8.996 8.437 0.559 2
1 749 . 1 1 A 63 63 LEU HA H 63 4.643 4.630 0.013 2
1 759 . 1 1 A 63 63 LEU C C 63 175.030 176.384 -1.354 2
1 760 . 1 1 A 63 63 LEU CA C 63 53.630 53.866 -0.236 2
1 761 . 1 1 A 63 63 LEU CB C 63 44.680 43.528 1.152 2
1 765 . 1 1 A 63 63 LEU N N 63 125.000 124.145 0.855 2
1 766 . 1 1 A 64 64 TYR H H 64 8.669 8.466 0.203 2
1 767 . 1 1 A 64 64 TYR HA H 64 4.758 4.299 0.459 2
1 774 . 1 1 A 64 64 TYR C C 64 175.630 175.489 0.141 2
1 775 . 1 1 A 64 64 TYR CA C 64 57.460 59.044 -1.584 2
1 776 . 1 1 A 64 64 TYR CB C 64 39.690 37.116 2.574 2
1 781 . 1 1 A 64 64 TYR N N 64 120.100 119.723 0.377 2
1 782 . 1 1 A 65 65 PHE H H 65 8.688 8.011 0.677 2
1 783 . 1 1 A 65 65 PHE HA H 65 4.777 4.608 0.169 2
1 791 . 1 1 A 65 65 PHE C C 65 175.940 175.362 0.578 2
1 792 . 1 1 A 65 65 PHE CA C 65 57.325 57.975 -0.650 2
1 793 . 1 1 A 65 65 PHE CB C 65 39.340 38.865 0.475 2
1 799 . 1 1 A 65 65 PHE N N 65 122.100 119.080 3.020 2
1 800 . 1 1 A 66 66 MET H H 66 8.611 8.451 0.160 2
1 801 . 1 1 A 66 66 MET HA H 66 4.537 4.687 -0.150 2
1 806 . 1 1 A 66 66 MET C C 66 176.630 176.037 0.593 2
1 807 . 1 1 A 66 66 MET CA C 66 55.370 55.205 0.165 2
1 808 . 1 1 A 66 66 MET CB C 66 32.710 33.683 -0.973 2
1 810 . 1 1 A 66 66 MET N N 66 121.700 119.722 1.978 2
1 811 . 1 1 A 67 67 GLY H H 67 8.213 8.501 -0.288 2
1 812 . 1 1 A 67 67 GLY HA2 H 67 3.928 4.102 -0.174 2
1 813 . 1 1 A 67 67 GLY HA3 H 67 3.928 4.142 -0.214 2
1 814 . 1 1 A 67 67 GLY C C 67 174.800 174.852 -0.052 2
1 815 . 1 1 A 67 67 GLY CA C 67 45.359 45.612 -0.253 2
1 816 . 1 1 A 67 67 GLY N N 67 109.600 110.759 -1.159 2
1 817 . 1 1 A 68 68 GLY H H 68 8.353 8.116 0.237 2
1 818 . 1 1 A 68 68 GLY HA2 H 68 4.862 3.982 0.880 2
1 819 . 1 1 A 68 68 GLY HA3 H 68 4.861 3.995 0.866 2
1 820 . 1 1 A 68 68 GLY C C 68 174.760 174.853 -0.093 2
1 821 . 1 1 A 68 68 GLY CA C 68 45.402 45.710 -0.308 2
1 822 . 1 1 A 68 68 GLY N N 68 108.600 108.100 0.500 2
1 823 . 1 1 A 69 69 GLY H H 69 8.406 8.567 -0.161 2
1 824 . 1 1 A 69 69 GLY HA2 H 69 3.953 3.917 0.036 2
1 825 . 1 1 A 69 69 GLY HA3 H 69 3.953 3.931 0.022 2
1 826 . 1 1 A 69 69 GLY C C 69 174.070 174.069 0.001 2
1 827 . 1 1 A 69 69 GLY CA C 69 45.242 46.151 -0.909 2
1 828 . 1 1 A 69 69 GLY N N 69 109.100 109.887 -0.787 2
1 829 . 1 1 A 70 70 LYS H H 70 8.153 7.958 0.195 2
1 830 . 1 1 A 70 70 LYS HA H 70 4.255 4.440 -0.185 2
1 839 . 1 1 A 70 70 LYS C C 70 176.490 175.641 0.849 2
1 840 . 1 1 A 70 70 LYS CA C 70 56.370 55.771 0.599 2
1 841 . 1 1 A 70 70 LYS CB C 70 33.130 32.981 0.149 2
1 845 . 1 1 A 70 70 LYS N N 70 120.500 120.512 -0.012 2
1 846 . 1 1 A 71 71 LEU H H 71 8.253 8.534 -0.281 2
1 847 . 1 1 A 71 71 LEU HA H 71 4.285 4.548 -0.263 2
1 857 . 1 1 A 71 71 LEU C C 71 177.110 176.248 0.862 2
1 858 . 1 1 A 71 71 LEU CA C 71 55.120 54.445 0.675 2
1 859 . 1 1 A 71 71 LEU CB C 71 42.236 42.528 -0.292 2
1 863 . 1 1 A 71 71 LEU N N 71 122.905 124.835 -1.930 2
1 864 . 1 1 A 72 72 GLU H H 72 8.343 8.408 -0.065 2
1 865 . 1 1 A 72 72 GLU HA H 72 4.238 4.383 -0.145 2
1 870 . 1 1 A 72 72 GLU C C 72 176.100 175.964 0.136 2
1 871 . 1 1 A 72 72 GLU CA C 72 56.760 56.534 0.226 2
1 872 . 1 1 A 72 72 GLU CB C 72 30.619 30.202 0.417 2
1 874 . 1 1 A 72 72 GLU N N 72 121.500 122.017 -0.517 2
1 875 . 1 1 A 73 73 HIS H H 73 8.404 8.338 0.066 2
1 876 . 1 1 A 73 73 HIS HA H 73 4.593 4.696 -0.103 2
1 879 . 1 1 A 73 73 HIS C C 73 173.840 174.547 -0.707 2
1 880 . 1 1 A 73 73 HIS CA C 73 55.777 56.205 -0.428 2
1 881 . 1 1 A 73 73 HIS CB C 73 30.080 30.824 -0.744 2
1 882 . 1 1 A 73 73 HIS N N 73 119.733 121.313 -1.580 2
1 883 . 1 1 A 74 74 HIS H H 74 8.213 8.477 -0.264 2
1 884 . 1 1 A 74 74 HIS CA C 74 57.175 55.940 1.235 2
1 885 . 1 1 A 74 74 HIS CB C 74 30.671 30.303 0.368 2
stop_
save_