data_16377_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16377
_Entry.PDB_ID 2KL0
_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 2 . 1 1 1 A 2 2 LEU H H 2 8.810 7.647 1.163 1
1 3 . 1 1 1 A 2 2 LEU HA H 2 4.930 4.348 0.582 1
1 12 . 1 1 1 A 2 2 LEU C C 2 175.900 176.405 -0.505 1
1 13 . 1 1 1 A 2 2 LEU CA C 2 55.100 54.378 0.722 1
1 14 . 1 1 1 A 2 2 LEU CB C 2 42.600 42.908 -0.308 1
1 17 . 1 1 1 A 2 2 LEU N N 2 127.000 120.206 6.794 1
1 18 . 1 1 1 A 3 3 VAL H H 3 8.670 9.046 -0.376 1
1 19 . 1 1 1 A 3 3 VAL HA H 3 4.580 4.811 -0.231 1
1 27 . 1 1 1 A 3 3 VAL C C 3 174.000 174.501 -0.501 1
1 28 . 1 1 1 A 3 3 VAL CA C 3 59.400 59.676 -0.276 1
1 29 . 1 1 1 A 3 3 VAL CB C 3 35.500 34.490 1.010 1
1 32 . 1 1 1 A 3 3 VAL N N 3 119.900 119.257 0.643 1
1 33 . 1 1 1 A 4 4 THR H H 4 8.310 8.775 -0.465 1
1 34 . 1 1 1 A 4 4 THR HA H 4 4.850 4.595 0.255 1
1 39 . 1 1 1 A 4 4 THR C C 4 173.600 174.012 -0.412 1
1 40 . 1 1 1 A 4 4 THR CA C 4 61.700 62.269 -0.569 1
1 41 . 1 1 1 A 4 4 THR CB C 4 69.500 68.954 0.546 1
1 43 . 1 1 1 A 4 4 THR N N 4 116.000 120.560 -4.560 1
1 44 . 1 1 1 A 5 5 ILE H H 5 9.060 9.303 -0.243 1
1 45 . 1 1 1 A 5 5 ILE HA H 5 4.830 4.805 0.025 1
1 55 . 1 1 1 A 5 5 ILE C C 5 176.100 175.896 0.204 1
1 56 . 1 1 1 A 5 5 ILE CA C 5 59.400 60.208 -0.808 1
1 57 . 1 1 1 A 5 5 ILE CB C 5 39.300 39.032 0.268 1
1 61 . 1 1 1 A 5 5 ILE N N 5 125.000 127.449 -2.449 1
1 62 . 1 1 1 A 6 6 ASN H H 6 9.480 9.404 0.076 1
1 63 . 1 1 1 A 6 6 ASN HA H 6 4.510 4.448 0.062 1
1 68 . 1 1 1 A 6 6 ASN C C 6 175.700 175.566 0.134 1
1 69 . 1 1 1 A 6 6 ASN CA C 6 54.100 54.698 -0.598 1
1 70 . 1 1 1 A 6 6 ASN CB C 6 36.100 37.271 -1.171 1
1 71 . 1 1 1 A 6 6 ASN N N 6 129.500 128.074 1.426 1
1 73 . 1 1 1 A 7 7 GLY H H 7 8.860 8.614 0.246 1
1 74 . 1 1 1 A 7 7 GLY HA2 H 7 3.560 3.857 -0.297 1
1 75 . 1 1 1 A 7 7 GLY HA3 H 7 4.180 3.861 0.319 1
1 76 . 1 1 1 A 7 7 GLY C C 7 173.500 173.745 -0.245 1
1 77 . 1 1 1 A 7 7 GLY CA C 7 45.300 45.426 -0.126 1
1 78 . 1 1 1 A 7 7 GLY N N 7 102.200 103.817 -1.617 1
1 79 . 1 1 1 A 8 8 GLU H H 8 7.790 8.178 -0.388 1
1 80 . 1 1 1 A 8 8 GLU HA H 8 4.690 4.733 -0.043 1
1 85 . 1 1 1 A 8 8 GLU C C 8 175.300 175.529 -0.229 1
1 86 . 1 1 1 A 8 8 GLU CA C 8 54.200 54.806 -0.606 1
1 87 . 1 1 1 A 8 8 GLU CB C 8 32.300 32.589 -0.289 1
1 89 . 1 1 1 A 8 8 GLU N N 8 120.900 120.418 0.482 1
1 90 . 1 1 1 A 9 9 GLN H H 9 8.940 8.591 0.349 1
1 91 . 1 1 1 A 9 9 GLN HA H 9 4.770 4.751 0.019 1
1 96 . 1 1 1 A 9 9 GLN C C 9 176.000 175.135 0.865 1
1 97 . 1 1 1 A 9 9 GLN CA C 9 56.900 55.974 0.926 1
1 98 . 1 1 1 A 9 9 GLN CB C 9 29.300 29.136 0.164 1
1 100 . 1 1 1 A 9 9 GLN N N 9 125.800 123.287 2.513 1
1 101 . 1 1 1 A 10 10 ARG H H 10 9.230 8.653 0.577 1
1 102 . 1 1 1 A 10 10 ARG HA H 10 4.580 4.814 -0.234 1
1 110 . 1 1 1 A 10 10 ARG C C 10 173.300 173.581 -0.281 1
1 111 . 1 1 1 A 10 10 ARG CA C 10 54.400 54.808 -0.408 1
1 112 . 1 1 1 A 10 10 ARG CB C 10 34.400 34.377 0.023 1
1 115 . 1 1 1 A 10 10 ARG N N 10 125.200 123.908 1.292 1
1 117 . 1 1 1 A 11 11 GLU H H 11 8.380 8.890 -0.510 1
1 118 . 1 1 1 A 11 11 GLU HA H 11 4.860 4.986 -0.126 1
1 123 . 1 1 1 A 11 11 GLU C C 11 176.900 175.764 1.136 1
1 124 . 1 1 1 A 11 11 GLU CA C 11 54.800 55.475 -0.675 1
1 125 . 1 1 1 A 11 11 GLU CB C 11 30.000 31.915 -1.915 1
1 127 . 1 1 1 A 11 11 GLU N N 11 123.300 126.618 -3.318 1
1 128 . 1 1 1 A 12 12 VAL H H 12 9.070 8.928 0.142 1
1 129 . 1 1 1 A 12 12 VAL HA H 12 4.870 4.760 0.110 1
1 137 . 1 1 1 A 12 12 VAL C C 12 175.200 175.137 0.063 1
1 138 . 1 1 1 A 12 12 VAL CA C 12 58.600 58.927 -0.327 1
1 139 . 1 1 1 A 12 12 VAL CB C 12 34.400 35.101 -0.701 1
1 142 . 1 1 1 A 12 12 VAL N N 12 119.600 120.429 -0.829 1
1 143 . 1 1 1 A 13 13 GLN H H 13 10.260 8.663 1.597 1
1 144 . 1 1 1 A 13 13 GLN HA H 13 4.550 4.496 0.054 1
1 149 . 1 1 1 A 13 13 GLN C C 13 177.700 175.996 1.704 1
1 150 . 1 1 1 A 13 13 GLN CA C 13 55.200 55.766 -0.566 1
1 151 . 1 1 1 A 13 13 GLN CB C 13 30.000 29.604 0.396 1
1 152 . 1 1 1 A 13 13 GLN N N 13 120.900 120.585 0.315 1
1 153 . 1 1 1 A 14 14 SER H H 14 8.190 7.604 0.586 1
1 154 . 1 1 1 A 14 14 SER HA H 14 4.100 4.300 -0.200 1
1 157 . 1 1 1 A 14 14 SER C C 14 171.700 174.627 -2.927 1
1 158 . 1 1 1 A 14 14 SER CA C 14 61.000 59.938 1.062 1
1 159 . 1 1 1 A 14 14 SER CB C 14 65.300 63.766 1.534 1
1 160 . 1 1 1 A 14 14 SER N N 14 118.500 116.283 2.217 1
1 161 . 1 1 1 A 15 15 ALA H H 15 8.320 8.781 -0.461 1
1 162 . 1 1 1 A 15 15 ALA HA H 15 4.610 4.466 0.144 1
1 166 . 1 1 1 A 15 15 ALA C C 15 177.900 176.409 1.491 1
1 167 . 1 1 1 A 15 15 ALA CA C 15 51.200 52.113 -0.913 1
1 168 . 1 1 1 A 15 15 ALA CB C 15 20.100 20.036 0.064 1
1 169 . 1 1 1 A 15 15 ALA N N 15 118.500 125.851 -7.351 1
1 170 . 1 1 1 A 16 16 SER H H 16 7.480 7.446 0.034 1
1 171 . 1 1 1 A 16 16 SER HA H 16 5.390 4.694 0.696 1
1 174 . 1 1 1 A 16 16 SER C C 16 174.600 174.318 0.282 1
1 175 . 1 1 1 A 16 16 SER CA C 16 55.600 56.725 -1.125 1
1 176 . 1 1 1 A 16 16 SER CB C 16 67.400 65.768 1.632 1
1 177 . 1 1 1 A 16 16 SER N N 16 112.400 109.543 2.857 1
1 178 . 1 1 1 A 17 17 VAL H H 17 8.810 8.542 0.268 1
1 179 . 1 1 1 A 17 17 VAL HA H 17 3.120 3.554 -0.434 1
1 187 . 1 1 1 A 17 17 VAL C C 17 176.500 177.278 -0.778 1
1 188 . 1 1 1 A 17 17 VAL CA C 17 66.900 66.362 0.538 1
1 189 . 1 1 1 A 17 17 VAL CB C 17 31.300 31.641 -0.341 1
1 192 . 1 1 1 A 17 17 VAL N N 17 122.400 121.749 0.651 1
1 193 . 1 1 1 A 18 18 ALA H H 18 7.460 8.628 -1.168 1
1 194 . 1 1 1 A 18 18 ALA HA H 18 4.000 4.036 -0.036 1
1 198 . 1 1 1 A 18 18 ALA C C 18 179.600 179.439 0.161 1
1 199 . 1 1 1 A 18 18 ALA CA C 18 55.300 55.547 -0.247 1
1 200 . 1 1 1 A 18 18 ALA CB C 18 18.800 18.132 0.668 1
1 201 . 1 1 1 A 18 18 ALA N N 18 119.300 122.061 -2.761 1
1 202 . 1 1 1 A 19 19 ALA H H 19 7.620 8.116 -0.496 1
1 203 . 1 1 1 A 19 19 ALA HA H 19 4.130 4.289 -0.159 1
1 207 . 1 1 1 A 19 19 ALA C C 19 179.500 180.096 -0.596 1
1 208 . 1 1 1 A 19 19 ALA CA C 19 55.000 55.045 -0.045 1
1 209 . 1 1 1 A 19 19 ALA CB C 19 17.400 17.939 -0.539 1
1 210 . 1 1 1 A 19 19 ALA N N 19 120.000 121.669 -1.669 1
1 211 . 1 1 1 A 20 20 LEU H H 20 8.260 8.245 0.015 1
1 212 . 1 1 1 A 20 20 LEU HA H 20 4.120 4.315 -0.195 1
1 221 . 1 1 1 A 20 20 LEU C C 20 177.700 178.842 -1.142 1
1 222 . 1 1 1 A 20 20 LEU CA C 20 57.500 57.795 -0.295 1
1 223 . 1 1 1 A 20 20 LEU CB C 20 42.000 41.517 0.483 1
1 226 . 1 1 1 A 20 20 LEU N N 20 121.900 120.008 1.892 1
1 227 . 1 1 1 A 21 21 MET H H 21 8.020 8.310 -0.290 1
1 228 . 1 1 1 A 21 21 MET HA H 21 4.130 4.039 0.091 1
1 230 . 1 1 1 A 21 21 MET C C 21 179.300 178.951 0.349 1
1 231 . 1 1 1 A 21 21 MET CA C 21 57.000 58.715 -1.715 1
1 232 . 1 1 1 A 21 21 MET CB C 21 30.300 33.015 -2.715 1
1 233 . 1 1 1 A 21 21 MET N N 21 115.800 117.120 -1.320 1
1 234 . 1 1 1 A 22 22 THR H H 22 7.380 7.779 -0.399 1
1 235 . 1 1 1 A 22 22 THR HA H 22 3.950 3.849 0.101 1
1 240 . 1 1 1 A 22 22 THR C C 22 177.300 176.095 1.205 1
1 241 . 1 1 1 A 22 22 THR CA C 22 66.600 67.177 -0.577 1
1 242 . 1 1 1 A 22 22 THR CB C 22 68.200 68.470 -0.270 1
1 244 . 1 1 1 A 22 22 THR N N 22 116.500 115.899 0.601 1
1 245 . 1 1 1 A 23 23 GLU H H 23 8.650 8.101 0.549 1
1 246 . 1 1 1 A 23 23 GLU HA H 23 3.960 4.055 -0.095 1
1 251 . 1 1 1 A 23 23 GLU C C 23 177.900 178.140 -0.240 1
1 252 . 1 1 1 A 23 23 GLU CA C 23 59.500 58.584 0.916 1
1 253 . 1 1 1 A 23 23 GLU CB C 23 29.600 29.723 -0.123 1
1 255 . 1 1 1 A 23 23 GLU N N 23 128.000 121.030 6.970 1
1 256 . 1 1 1 A 24 24 LEU H H 24 8.140 7.655 0.485 1
1 257 . 1 1 1 A 24 24 LEU HA H 24 4.200 4.242 -0.042 1
1 266 . 1 1 1 A 24 24 LEU C C 24 175.800 175.618 0.182 1
1 267 . 1 1 1 A 24 24 LEU CA C 24 54.200 54.890 -0.690 1
1 268 . 1 1 1 A 24 24 LEU CB C 24 41.900 41.623 0.277 1
1 271 . 1 1 1 A 24 24 LEU N N 24 115.900 118.066 -2.166 1
1 272 . 1 1 1 A 25 25 ASP H H 25 7.980 8.000 -0.020 1
1 273 . 1 1 1 A 25 25 ASP HA H 25 4.440 4.300 0.140 1
1 276 . 1 1 1 A 25 25 ASP C C 25 175.800 175.675 0.125 1
1 277 . 1 1 1 A 25 25 ASP CA C 25 55.200 55.344 -0.144 1
1 278 . 1 1 1 A 25 25 ASP CB C 25 39.400 38.697 0.703 1
1 279 . 1 1 1 A 25 25 ASP N N 25 118.400 115.724 2.676 1
1 280 . 1 1 1 A 26 26 CYS H H 26 8.510 7.884 0.626 1
1 281 . 1 1 1 A 26 26 CYS HA H 26 4.460 4.050 0.410 1
1 284 . 1 1 1 A 26 26 CYS C C 26 174.300 174.539 -0.239 1
1 285 . 1 1 1 A 26 26 CYS CA C 26 58.500 61.984 -3.484 1
1 286 . 1 1 1 A 26 26 CYS CB C 26 27.100 27.737 -0.637 1
1 287 . 1 1 1 A 26 26 CYS N N 26 117.000 116.867 0.133 1
1 288 . 1 1 1 A 27 27 THR H H 27 7.810 7.981 -0.171 1
1 289 . 1 1 1 A 27 27 THR HA H 27 4.450 4.378 0.072 1
1 291 . 1 1 1 A 27 27 THR CA C 27 62.200 62.300 -0.100 1
1 292 . 1 1 1 A 27 27 THR CB C 27 69.400 68.904 0.496 1
1 293 . 1 1 1 A 27 27 THR N N 27 107.800 113.918 -6.118 1
1 294 . 1 1 1 A 29 29 GLY H H 29 8.440 8.590 -0.150 1
1 295 . 1 1 1 A 29 29 GLY HA2 H 29 3.890 4.216 -0.326 1
1 296 . 1 1 1 A 29 29 GLY HA3 H 29 3.970 4.335 -0.365 1
1 297 . 1 1 1 A 29 29 GLY C C 29 173.800 174.677 -0.877 1
1 298 . 1 1 1 A 29 29 GLY CA C 29 45.800 45.208 0.592 1
1 299 . 1 1 1 A 29 29 GLY N N 29 108.100 108.936 -0.836 1
1 300 . 1 1 1 A 30 30 HIS H H 30 8.210 8.989 -0.779 1
1 301 . 1 1 1 A 30 30 HIS HA H 30 4.650 4.511 0.139 1
1 305 . 1 1 1 A 30 30 HIS C C 30 173.500 174.394 -0.894 1
1 306 . 1 1 1 A 30 30 HIS CA C 30 55.600 56.476 -0.876 1
1 307 . 1 1 1 A 30 30 HIS CB C 30 28.700 29.471 -0.771 1
1 309 . 1 1 1 A 30 30 HIS N N 30 117.300 119.971 -2.671 1
1 310 . 1 1 1 A 31 31 PHE H H 31 7.520 8.106 -0.586 1
1 311 . 1 1 1 A 31 31 PHE HA H 31 5.050 4.750 0.300 1
1 316 . 1 1 1 A 31 31 PHE C C 31 175.200 175.359 -0.159 1
1 317 . 1 1 1 A 31 31 PHE CA C 31 58.000 56.514 1.486 1
1 318 . 1 1 1 A 31 31 PHE CB C 31 41.200 41.132 0.068 1
1 321 . 1 1 1 A 31 31 PHE N N 31 117.000 120.437 -3.437 1
1 322 . 1 1 1 A 32 32 ALA H H 32 9.010 8.878 0.132 1
1 323 . 1 1 1 A 32 32 ALA HA H 32 5.010 5.521 -0.511 1
1 327 . 1 1 1 A 32 32 ALA C C 32 174.800 175.864 -1.064 1
1 328 . 1 1 1 A 32 32 ALA CA C 32 50.400 50.532 -0.132 1
1 329 . 1 1 1 A 32 32 ALA CB C 32 22.500 24.196 -1.696 1
1 330 . 1 1 1 A 32 32 ALA N N 32 123.800 122.082 1.718 1
1 331 . 1 1 1 A 33 33 VAL H H 33 9.350 8.815 0.535 1
1 332 . 1 1 1 A 33 33 VAL HA H 33 5.130 5.010 0.120 1
1 340 . 1 1 1 A 33 33 VAL C C 33 172.400 174.411 -2.011 1
1 341 . 1 1 1 A 33 33 VAL CA C 33 59.700 59.182 0.518 1
1 342 . 1 1 1 A 33 33 VAL CB C 33 35.000 35.563 -0.563 1
1 345 . 1 1 1 A 33 33 VAL N N 33 120.200 112.318 7.882 1
1 346 . 1 1 1 A 34 34 ALA H H 34 9.100 8.637 0.463 1
1 347 . 1 1 1 A 34 34 ALA HA H 34 5.130 5.464 -0.334 1
1 351 . 1 1 1 A 34 34 ALA C C 34 174.900 175.012 -0.112 1
1 352 . 1 1 1 A 34 34 ALA CA C 34 49.600 50.703 -1.103 1
1 353 . 1 1 1 A 34 34 ALA CB C 34 21.200 22.648 -1.448 1
1 354 . 1 1 1 A 34 34 ALA N N 34 127.800 123.910 3.890 1
1 355 . 1 1 1 A 35 35 LEU H H 35 8.680 9.045 -0.365 1
1 356 . 1 1 1 A 35 35 LEU HA H 35 4.750 4.709 0.041 1
1 366 . 1 1 1 A 35 35 LEU C C 35 175.700 175.663 0.037 1
1 367 . 1 1 1 A 35 35 LEU CA C 35 53.200 53.793 -0.593 1
1 368 . 1 1 1 A 35 35 LEU CB C 35 45.600 44.691 0.909 1
1 372 . 1 1 1 A 35 35 LEU N N 35 125.000 124.171 0.829 1
1 373 . 1 1 1 A 36 36 ASN H H 36 9.960 8.947 1.013 1
1 374 . 1 1 1 A 36 36 ASN HA H 36 3.890 4.347 -0.457 1
1 379 . 1 1 1 A 36 36 ASN C C 36 174.500 174.370 0.130 1
1 380 . 1 1 1 A 36 36 ASN CA C 36 54.900 54.584 0.316 1
1 381 . 1 1 1 A 36 36 ASN CB C 36 36.800 36.912 -0.112 1
1 382 . 1 1 1 A 36 36 ASN N N 36 127.300 126.056 1.244 1
1 384 . 1 1 1 A 37 37 TYR H H 37 8.750 8.048 0.702 1
1 385 . 1 1 1 A 37 37 TYR HA H 37 3.720 4.162 -0.442 1
1 392 . 1 1 1 A 37 37 TYR C C 37 174.100 173.756 0.344 1
1 393 . 1 1 1 A 37 37 TYR CA C 37 59.900 58.749 1.151 1
1 394 . 1 1 1 A 37 37 TYR CB C 37 35.300 35.526 -0.226 1
1 399 . 1 1 1 A 37 37 TYR N N 37 107.500 110.455 -2.955 1
1 400 . 1 1 1 A 38 38 ASP H H 38 7.590 7.795 -0.205 1
1 401 . 1 1 1 A 38 38 ASP HA H 38 5.090 5.008 0.082 1
1 404 . 1 1 1 A 38 38 ASP C C 38 175.400 174.517 0.883 1
1 405 . 1 1 1 A 38 38 ASP CA C 38 53.100 53.663 -0.563 1
1 406 . 1 1 1 A 38 38 ASP CB C 38 42.900 44.121 -1.221 1
1 407 . 1 1 1 A 38 38 ASP N N 38 119.900 118.502 1.398 1
1 408 . 1 1 1 A 39 39 VAL H H 39 8.590 8.720 -0.130 1
1 409 . 1 1 1 A 39 39 VAL HA H 39 4.220 4.467 -0.247 1
1 417 . 1 1 1 A 39 39 VAL C C 39 176.600 175.421 1.179 1
1 418 . 1 1 1 A 39 39 VAL CA C 39 63.600 62.995 0.605 1
1 419 . 1 1 1 A 39 39 VAL CB C 39 31.700 32.041 -0.341 1
1 422 . 1 1 1 A 39 39 VAL N N 39 124.300 126.399 -2.099 1
1 423 . 1 1 1 A 40 40 VAL H H 40 8.970 8.586 0.384 1
1 424 . 1 1 1 A 40 40 VAL HA H 40 4.600 4.620 -0.020 1
1 432 . 1 1 1 A 40 40 VAL CA C 40 59.100 58.722 0.378 1
1 433 . 1 1 1 A 40 40 VAL CB C 40 32.500 33.797 -1.297 1
1 436 . 1 1 1 A 40 40 VAL N N 40 130.800 127.015 3.785 1
1 437 . 1 1 1 A 41 41 PRO HA H 41 4.580 4.713 -0.133 1
1 444 . 1 1 1 A 41 41 PRO C C 41 177.700 177.139 0.561 1
1 445 . 1 1 1 A 41 41 PRO CA C 41 62.800 62.306 0.494 1
1 446 . 1 1 1 A 41 41 PRO CB C 41 32.300 32.790 -0.490 1
1 449 . 1 1 1 A 42 42 ARG H H 42 8.640 8.295 0.345 1
1 450 . 1 1 1 A 42 42 ARG HA H 42 1.890 1.996 -0.106 1
1 458 . 1 1 1 A 42 42 ARG C C 42 178.800 177.063 1.737 1
1 459 . 1 1 1 A 42 42 ARG CA C 42 58.100 57.884 0.216 1
1 460 . 1 1 1 A 42 42 ARG CB C 42 29.600 29.123 0.477 1
1 462 . 1 1 1 A 42 42 ARG N N 42 124.000 121.942 2.058 1
1 464 . 1 1 1 A 43 43 GLY H H 43 8.690 8.061 0.629 1
1 465 . 1 1 1 A 43 43 GLY HA2 H 43 3.770 3.879 -0.109 1
1 466 . 1 1 1 A 43 43 GLY HA3 H 43 3.870 3.900 -0.030 1
1 467 . 1 1 1 A 43 43 GLY C C 43 174.600 174.360 0.240 1
1 468 . 1 1 1 A 43 43 GLY CA C 43 45.800 45.784 0.016 1
1 469 . 1 1 1 A 43 43 GLY N N 43 106.000 108.180 -2.180 1
1 470 . 1 1 1 A 44 44 LYS H H 44 8.260 7.867 0.393 1
1 471 . 1 1 1 A 44 44 LYS HA H 44 4.840 4.564 0.276 1
1 480 . 1 1 1 A 44 44 LYS C C 44 179.200 177.151 2.049 1
1 481 . 1 1 1 A 44 44 LYS CA C 44 54.500 55.866 -1.366 1
1 482 . 1 1 1 A 44 44 LYS CB C 44 32.900 33.583 -0.683 1
1 486 . 1 1 1 A 44 44 LYS N N 44 115.900 117.773 -1.873 1
1 487 . 1 1 1 A 45 45 TRP H H 45 8.120 7.777 0.343 1
1 488 . 1 1 1 A 45 45 TRP HA H 45 4.350 4.373 -0.023 1
1 497 . 1 1 1 A 45 45 TRP C C 45 178.400 178.843 -0.443 1
1 498 . 1 1 1 A 45 45 TRP CA C 45 60.500 60.020 0.480 1
1 499 . 1 1 1 A 45 45 TRP CB C 45 28.500 29.179 -0.679 1
1 505 . 1 1 1 A 45 45 TRP N N 45 124.800 120.611 4.189 1
1 507 . 1 1 1 A 46 46 ASP H H 46 8.950 8.614 0.336 1
1 508 . 1 1 1 A 46 46 ASP HA H 46 4.460 4.512 -0.052 1
1 511 . 1 1 1 A 46 46 ASP C C 46 176.800 177.616 -0.816 1
1 512 . 1 1 1 A 46 46 ASP CA C 46 56.900 56.939 -0.039 1
1 513 . 1 1 1 A 46 46 ASP CB C 46 40.400 40.508 -0.108 1
1 514 . 1 1 1 A 46 46 ASP N N 46 117.400 118.014 -0.614 1
1 515 . 1 1 1 A 47 47 GLU H H 47 7.530 7.783 -0.253 1
1 516 . 1 1 1 A 47 47 GLU HA H 47 4.580 4.453 0.127 1
1 521 . 1 1 1 A 47 47 GLU C C 47 175.500 175.221 0.279 1
1 522 . 1 1 1 A 47 47 GLU CA C 47 55.300 56.511 -1.211 1
1 523 . 1 1 1 A 47 47 GLU CB C 47 30.800 30.594 0.206 1
1 525 . 1 1 1 A 47 47 GLU N N 47 114.500 117.353 -2.853 1
1 526 . 1 1 1 A 48 48 THR H H 48 7.230 7.495 -0.265 1
1 527 . 1 1 1 A 48 48 THR HA H 48 4.700 4.579 0.121 1
1 532 . 1 1 1 A 48 48 THR CA C 48 60.800 59.220 1.580 1
1 533 . 1 1 1 A 48 48 THR CB C 48 70.100 69.546 0.554 1
1 534 . 1 1 1 A 48 48 THR N N 48 119.900 115.723 4.177 1
1 535 . 1 1 1 A 49 49 PRO HA H 49 4.890 4.684 0.206 1
1 542 . 1 1 1 A 49 49 PRO C C 49 175.400 175.186 0.214 1
1 543 . 1 1 1 A 49 49 PRO CA C 49 62.100 62.328 -0.228 1
1 544 . 1 1 1 A 49 49 PRO CB C 49 32.900 32.769 0.131 1
1 547 . 1 1 1 A 50 50 VAL H H 50 6.960 7.958 -0.998 1
1 548 . 1 1 1 A 50 50 VAL HA H 50 4.030 4.756 -0.726 1
1 556 . 1 1 1 A 50 50 VAL C C 50 173.800 174.637 -0.837 1
1 557 . 1 1 1 A 50 50 VAL CA C 50 61.400 60.390 1.010 1
1 558 . 1 1 1 A 50 50 VAL CB C 50 33.900 34.121 -0.221 1
1 561 . 1 1 1 A 50 50 VAL N N 50 119.400 120.033 -0.633 1
1 562 . 1 1 1 A 51 51 THR H H 51 8.940 8.728 0.212 1
1 563 . 1 1 1 A 51 51 THR HA H 51 4.460 4.753 -0.293 1
1 568 . 1 1 1 A 51 51 THR C C 51 172.300 174.163 -1.863 1
1 569 . 1 1 1 A 51 51 THR CA C 51 60.600 61.204 -0.604 1
1 570 . 1 1 1 A 51 51 THR CB C 51 71.000 71.102 -0.102 1
1 571 . 1 1 1 A 51 51 THR N N 51 122.600 124.070 -1.470 1
1 572 . 1 1 1 A 52 52 ALA H H 52 8.150 8.560 -0.410 1
1 573 . 1 1 1 A 52 52 ALA HA H 52 3.940 3.953 -0.013 1
1 577 . 1 1 1 A 52 52 ALA C C 52 179.100 178.156 0.944 1
1 578 . 1 1 1 A 52 52 ALA CA C 52 53.700 53.983 -0.283 1
1 579 . 1 1 1 A 52 52 ALA CB C 52 18.200 18.407 -0.207 1
1 580 . 1 1 1 A 52 52 ALA N N 52 125.400 128.952 -3.552 1
1 581 . 1 1 1 A 53 53 GLY H H 53 9.160 8.758 0.402 1
1 582 . 1 1 1 A 53 53 GLY HA2 H 53 3.670 4.025 -0.355 1
1 583 . 1 1 1 A 53 53 GLY HA3 H 53 4.310 4.028 0.282 1
1 584 . 1 1 1 A 53 53 GLY C C 53 174.900 174.588 0.312 1
1 585 . 1 1 1 A 53 53 GLY CA C 53 44.700 45.115 -0.415 1
1 586 . 1 1 1 A 53 53 GLY N N 53 111.000 111.518 -0.518 1
1 587 . 1 1 1 A 54 54 ASP H H 54 8.180 8.180 0.000 1
1 588 . 1 1 1 A 54 54 ASP HA H 54 4.700 4.640 0.060 1
1 591 . 1 1 1 A 54 54 ASP C C 54 174.600 175.687 -1.087 1
1 592 . 1 1 1 A 54 54 ASP CA C 54 56.100 54.795 1.305 1
1 593 . 1 1 1 A 54 54 ASP CB C 54 41.800 41.784 0.016 1
1 594 . 1 1 1 A 54 54 ASP N N 54 122.700 121.980 0.720 1
1 595 . 1 1 1 A 55 55 GLU H H 55 8.160 8.553 -0.393 1
1 596 . 1 1 1 A 55 55 GLU HA H 55 4.730 4.657 0.073 1
1 601 . 1 1 1 A 55 55 GLU C C 55 175.000 175.373 -0.373 1
1 602 . 1 1 1 A 55 55 GLU CA C 55 55.100 56.038 -0.938 1
1 603 . 1 1 1 A 55 55 GLU CB C 55 30.500 30.505 -0.005 1
1 605 . 1 1 1 A 55 55 GLU N N 55 118.800 121.123 -2.323 1
1 606 . 1 1 1 A 56 56 ILE H H 56 9.320 8.819 0.501 1
1 607 . 1 1 1 A 56 56 ILE HA H 56 4.950 5.055 -0.105 1
1 617 . 1 1 1 A 56 56 ILE C C 56 175.100 175.154 -0.054 1
1 618 . 1 1 1 A 56 56 ILE CA C 56 59.800 59.875 -0.075 1
1 619 . 1 1 1 A 56 56 ILE CB C 56 40.200 40.483 -0.283 1
1 623 . 1 1 1 A 56 56 ILE N N 56 127.400 125.498 1.902 1
1 624 . 1 1 1 A 57 57 GLU H H 57 9.170 8.564 0.606 1
1 625 . 1 1 1 A 57 57 GLU HA H 57 5.000 5.251 -0.251 1
1 630 . 1 1 1 A 57 57 GLU C C 57 174.100 175.062 -0.962 1
1 631 . 1 1 1 A 57 57 GLU CA C 57 54.400 54.425 -0.025 1
1 632 . 1 1 1 A 57 57 GLU CB C 57 32.900 33.655 -0.755 1
1 634 . 1 1 1 A 57 57 GLU N N 57 129.600 125.432 4.168 1
1 635 . 1 1 1 A 58 58 ILE H H 58 9.500 9.187 0.313 1
1 636 . 1 1 1 A 58 58 ILE HA H 58 4.610 4.853 -0.243 1
1 646 . 1 1 1 A 58 58 ILE C C 58 175.900 174.708 1.192 1
1 647 . 1 1 1 A 58 58 ILE CA C 58 59.900 59.052 0.848 1
1 648 . 1 1 1 A 58 58 ILE CB C 58 37.800 38.444 -0.644 1
1 652 . 1 1 1 A 58 58 ILE N N 58 126.500 124.420 2.080 1
1 653 . 1 1 1 A 59 59 LEU H H 59 9.150 9.058 0.092 1
1 654 . 1 1 1 A 59 59 LEU HA H 59 4.840 5.172 -0.332 1
1 663 . 1 1 1 A 59 59 LEU C C 59 175.800 175.577 0.223 1
1 664 . 1 1 1 A 59 59 LEU CA C 59 53.800 53.199 0.601 1
1 665 . 1 1 1 A 59 59 LEU CB C 59 44.300 44.002 0.298 1
1 668 . 1 1 1 A 59 59 LEU N N 59 129.800 128.301 1.499 1
1 669 . 1 1 1 A 60 60 THR H H 60 8.470 9.034 -0.564 1
1 673 . 1 1 1 A 60 60 THR CA C 60 58.200 58.917 -0.717 1
1 674 . 1 1 1 A 60 60 THR CB C 60 69.900 69.808 0.092 1
1 676 . 1 1 1 A 60 60 THR N N 60 114.300 119.416 -5.116 1
1 677 . 1 1 1 A 61 61 PRO HA H 61 4.400 4.545 -0.145 1
1 680 . 1 1 1 A 61 61 PRO CA C 61 63.200 62.350 0.850 1
1 681 . 1 1 1 A 61 61 PRO CB C 61 32.100 32.528 -0.428 1
1 682 . 1 1 1 A 62 62 ARG HA H 62 4.260 4.563 -0.303 1
1 689 . 1 1 1 A 62 62 ARG C C 62 176.500 174.934 1.566 1
1 690 . 1 1 1 A 62 62 ARG CA C 62 56.500 55.367 1.133 1
1 691 . 1 1 1 A 62 62 ARG CB C 62 30.500 31.603 -1.103 1
1 694 . 1 1 1 A 63 63 GLN H H 63 8.500 8.657 -0.157 1
1 695 . 1 1 1 A 63 63 GLN HA H 63 4.250 5.094 -0.844 1
1 702 . 1 1 1 A 63 63 GLN C C 63 176.400 175.275 1.125 1
1 703 . 1 1 1 A 63 63 GLN CA C 63 56.000 54.514 1.486 1
1 704 . 1 1 1 A 63 63 GLN CB C 63 29.200 30.862 -1.662 1
1 706 . 1 1 1 A 63 63 GLN N N 63 121.700 125.205 -3.505 1
1 708 . 1 1 1 A 64 64 GLY H H 64 8.330 8.701 -0.371 1
1 709 . 1 1 1 A 64 64 GLY HA2 H 64 3.940 4.147 -0.207 1
1 710 . 1 1 1 A 64 64 GLY HA3 H 64 3.940 4.164 -0.224 1
1 711 . 1 1 1 A 64 64 GLY C C 64 174.500 173.426 1.074 1
1 712 . 1 1 1 A 64 64 GLY CA C 64 45.300 45.712 -0.412 1
1 713 . 1 1 1 A 64 64 GLY N N 64 110.100 111.336 -1.236 1
1 714 . 1 1 1 A 65 65 GLY H H 65 8.260 8.468 -0.208 1
1 715 . 1 1 1 A 65 65 GLY HA2 H 65 3.940 3.707 0.233 1
1 716 . 1 1 1 A 65 65 GLY HA3 H 65 3.940 3.885 0.055 1
1 717 . 1 1 1 A 65 65 GLY C C 65 174.200 174.217 -0.017 1
1 718 . 1 1 1 A 65 65 GLY CA C 65 45.200 45.382 -0.182 1
1 719 . 1 1 1 A 65 65 GLY N N 65 108.500 109.299 -0.799 1
1 720 . 1 1 1 A 66 66 LEU H H 66 8.200 8.801 -0.601 1
1 721 . 1 1 1 A 66 66 LEU HA H 66 4.250 4.325 -0.075 1
1 730 . 1 1 1 A 66 66 LEU C C 66 177.400 176.834 0.566 1
1 731 . 1 1 1 A 66 66 LEU CA C 66 55.200 56.324 -1.124 1
1 732 . 1 1 1 A 66 66 LEU CB C 66 42.300 43.407 -1.107 1
1 736 . 1 1 1 A 66 66 LEU N N 66 121.200 126.229 -5.029 1
1 737 . 1 1 1 A 67 67 GLU H H 67 8.460 7.844 0.616 1
1 738 . 1 1 1 A 67 67 GLU HA H 67 4.170 4.228 -0.058 1
1 743 . 1 1 1 A 67 67 GLU CA C 67 56.500 55.569 0.931 1
1 744 . 1 1 1 A 67 67 GLU CB C 67 30.000 28.990 1.010 1
1 2 . 2 1 1 A 2 2 LEU H H 2 8.810 7.729 1.081 1
1 3 . 2 1 1 A 2 2 LEU HA H 2 4.930 4.251 0.679 1
1 12 . 2 1 1 A 2 2 LEU C C 2 175.900 176.178 -0.278 1
1 13 . 2 1 1 A 2 2 LEU CA C 2 55.100 54.764 0.336 1
1 14 . 2 1 1 A 2 2 LEU CB C 2 42.600 42.597 0.003 1
1 17 . 2 1 1 A 2 2 LEU N N 2 127.000 120.546 6.454 1
1 18 . 2 1 1 A 3 3 VAL H H 3 8.670 9.169 -0.499 1
1 19 . 2 1 1 A 3 3 VAL HA H 3 4.580 4.798 -0.218 1
1 27 . 2 1 1 A 3 3 VAL C C 3 174.000 174.387 -0.387 1
1 28 . 2 1 1 A 3 3 VAL CA C 3 59.400 59.462 -0.062 1
1 29 . 2 1 1 A 3 3 VAL CB C 3 35.500 34.867 0.633 1
1 32 . 2 1 1 A 3 3 VAL N N 3 119.900 119.401 0.499 1
1 33 . 2 1 1 A 4 4 THR H H 4 8.310 8.774 -0.464 1
1 34 . 2 1 1 A 4 4 THR HA H 4 4.850 4.567 0.283 1
1 39 . 2 1 1 A 4 4 THR C C 4 173.600 174.011 -0.411 1
1 40 . 2 1 1 A 4 4 THR CA C 4 61.700 62.242 -0.542 1
1 41 . 2 1 1 A 4 4 THR CB C 4 69.500 68.886 0.614 1
1 43 . 2 1 1 A 4 4 THR N N 4 116.000 120.538 -4.538 1
1 44 . 2 1 1 A 5 5 ILE H H 5 9.060 9.235 -0.175 1
1 45 . 2 1 1 A 5 5 ILE HA H 5 4.830 4.802 0.028 1
1 55 . 2 1 1 A 5 5 ILE C C 5 176.100 175.873 0.227 1
1 56 . 2 1 1 A 5 5 ILE CA C 5 59.400 60.214 -0.814 1
1 57 . 2 1 1 A 5 5 ILE CB C 5 39.300 39.042 0.258 1
1 61 . 2 1 1 A 5 5 ILE N N 5 125.000 127.447 -2.447 1
1 62 . 2 1 1 A 6 6 ASN H H 6 9.480 9.682 -0.202 1
1 63 . 2 1 1 A 6 6 ASN HA H 6 4.510 4.445 0.065 1
1 68 . 2 1 1 A 6 6 ASN C C 6 175.700 175.565 0.135 1
1 69 . 2 1 1 A 6 6 ASN CA C 6 54.100 54.653 -0.553 1
1 70 . 2 1 1 A 6 6 ASN CB C 6 36.100 37.255 -1.155 1
1 71 . 2 1 1 A 6 6 ASN N N 6 129.500 128.064 1.436 1
1 73 . 2 1 1 A 7 7 GLY H H 7 8.860 8.609 0.251 1
1 74 . 2 1 1 A 7 7 GLY HA2 H 7 3.560 3.861 -0.301 1
1 75 . 2 1 1 A 7 7 GLY HA3 H 7 4.180 3.866 0.314 1
1 76 . 2 1 1 A 7 7 GLY C C 7 173.500 173.758 -0.258 1
1 77 . 2 1 1 A 7 7 GLY CA C 7 45.300 45.489 -0.189 1
1 78 . 2 1 1 A 7 7 GLY N N 7 102.200 103.822 -1.622 1
1 79 . 2 1 1 A 8 8 GLU H H 8 7.790 8.290 -0.500 1
1 80 . 2 1 1 A 8 8 GLU HA H 8 4.690 4.691 -0.001 1
1 85 . 2 1 1 A 8 8 GLU C C 8 175.300 175.546 -0.246 1
1 86 . 2 1 1 A 8 8 GLU CA C 8 54.200 54.806 -0.606 1
1 87 . 2 1 1 A 8 8 GLU CB C 8 32.300 32.646 -0.346 1
1 89 . 2 1 1 A 8 8 GLU N N 8 120.900 120.339 0.561 1
1 90 . 2 1 1 A 9 9 GLN H H 9 8.940 8.610 0.330 1
1 91 . 2 1 1 A 9 9 GLN HA H 9 4.770 4.718 0.052 1
1 96 . 2 1 1 A 9 9 GLN C C 9 176.000 175.164 0.836 1
1 97 . 2 1 1 A 9 9 GLN CA C 9 56.900 55.948 0.952 1
1 98 . 2 1 1 A 9 9 GLN CB C 9 29.300 29.205 0.095 1
1 100 . 2 1 1 A 9 9 GLN N N 9 125.800 123.299 2.501 1
1 101 . 2 1 1 A 10 10 ARG H H 10 9.230 8.567 0.663 1
1 102 . 2 1 1 A 10 10 ARG HA H 10 4.580 4.823 -0.243 1
1 110 . 2 1 1 A 10 10 ARG C C 10 173.300 173.778 -0.478 1
1 111 . 2 1 1 A 10 10 ARG CA C 10 54.400 54.626 -0.226 1
1 112 . 2 1 1 A 10 10 ARG CB C 10 34.400 34.448 -0.048 1
1 115 . 2 1 1 A 10 10 ARG N N 10 125.200 123.977 1.223 1
1 117 . 2 1 1 A 11 11 GLU H H 11 8.380 8.760 -0.380 1
1 118 . 2 1 1 A 11 11 GLU HA H 11 4.860 4.936 -0.076 1
1 123 . 2 1 1 A 11 11 GLU C C 11 176.900 175.830 1.070 1
1 124 . 2 1 1 A 11 11 GLU CA C 11 54.800 55.395 -0.595 1
1 125 . 2 1 1 A 11 11 GLU CB C 11 30.000 31.699 -1.699 1
1 127 . 2 1 1 A 11 11 GLU N N 11 123.300 126.219 -2.919 1
1 128 . 2 1 1 A 12 12 VAL H H 12 9.070 9.020 0.050 1
1 129 . 2 1 1 A 12 12 VAL HA H 12 4.870 4.793 0.077 1
1 137 . 2 1 1 A 12 12 VAL C C 12 175.200 175.805 -0.605 1
1 138 . 2 1 1 A 12 12 VAL CA C 12 58.600 59.593 -0.993 1
1 139 . 2 1 1 A 12 12 VAL CB C 12 34.400 34.647 -0.247 1
1 142 . 2 1 1 A 12 12 VAL N N 12 119.600 121.809 -2.209 1
1 143 . 2 1 1 A 13 13 GLN H H 13 10.260 8.639 1.621 1
1 144 . 2 1 1 A 13 13 GLN HA H 13 4.550 4.416 0.134 1
1 149 . 2 1 1 A 13 13 GLN C C 13 177.700 175.851 1.849 1
1 150 . 2 1 1 A 13 13 GLN CA C 13 55.200 56.575 -1.375 1
1 151 . 2 1 1 A 13 13 GLN CB C 13 30.000 29.239 0.761 1
1 152 . 2 1 1 A 13 13 GLN N N 13 120.900 123.040 -2.140 1
1 153 . 2 1 1 A 14 14 SER H H 14 8.190 7.745 0.445 1
1 154 . 2 1 1 A 14 14 SER HA H 14 4.100 4.389 -0.289 1
1 157 . 2 1 1 A 14 14 SER C C 14 171.700 174.637 -2.937 1
1 158 . 2 1 1 A 14 14 SER CA C 14 61.000 57.725 3.275 1
1 159 . 2 1 1 A 14 14 SER CB C 14 65.300 65.191 0.109 1
1 160 . 2 1 1 A 14 14 SER N N 14 118.500 114.825 3.675 1
1 161 . 2 1 1 A 15 15 ALA H H 15 8.320 8.725 -0.405 1
1 162 . 2 1 1 A 15 15 ALA HA H 15 4.610 4.671 -0.061 1
1 166 . 2 1 1 A 15 15 ALA C C 15 177.900 177.042 0.858 1
1 167 . 2 1 1 A 15 15 ALA CA C 15 51.200 51.251 -0.051 1
1 168 . 2 1 1 A 15 15 ALA CB C 15 20.100 20.447 -0.347 1
1 169 . 2 1 1 A 15 15 ALA N N 15 118.500 123.076 -4.576 1
1 170 . 2 1 1 A 16 16 SER H H 16 7.480 7.680 -0.200 1
1 171 . 2 1 1 A 16 16 SER HA H 16 5.390 4.602 0.788 1
1 174 . 2 1 1 A 16 16 SER C C 16 174.600 173.539 1.061 1
1 175 . 2 1 1 A 16 16 SER CA C 16 55.600 56.877 -1.277 1
1 176 . 2 1 1 A 16 16 SER CB C 16 67.400 64.754 2.646 1
1 177 . 2 1 1 A 16 16 SER N N 16 112.400 112.230 0.170 1
1 178 . 2 1 1 A 17 17 VAL H H 17 8.810 8.570 0.240 1
1 179 . 2 1 1 A 17 17 VAL HA H 17 3.120 3.489 -0.369 1
1 187 . 2 1 1 A 17 17 VAL C C 17 176.500 177.360 -0.860 1
1 188 . 2 1 1 A 17 17 VAL CA C 17 66.900 66.223 0.677 1
1 189 . 2 1 1 A 17 17 VAL CB C 17 31.300 31.442 -0.142 1
1 192 . 2 1 1 A 17 17 VAL N N 17 122.400 125.791 -3.391 1
1 193 . 2 1 1 A 18 18 ALA H H 18 7.460 8.576 -1.116 1
1 194 . 2 1 1 A 18 18 ALA HA H 18 4.000 4.112 -0.112 1
1 198 . 2 1 1 A 18 18 ALA C C 18 179.600 180.116 -0.516 1
1 199 . 2 1 1 A 18 18 ALA CA C 18 55.300 55.802 -0.502 1
1 200 . 2 1 1 A 18 18 ALA CB C 18 18.800 17.925 0.875 1
1 201 . 2 1 1 A 18 18 ALA N N 18 119.300 122.024 -2.724 1
1 202 . 2 1 1 A 19 19 ALA H H 19 7.620 7.700 -0.080 1
1 203 . 2 1 1 A 19 19 ALA HA H 19 4.130 4.101 0.029 1
1 207 . 2 1 1 A 19 19 ALA C C 19 179.500 180.125 -0.625 1
1 208 . 2 1 1 A 19 19 ALA CA C 19 55.000 55.017 -0.017 1
1 209 . 2 1 1 A 19 19 ALA CB C 19 17.400 18.416 -1.016 1
1 210 . 2 1 1 A 19 19 ALA N N 19 120.000 120.741 -0.741 1
1 211 . 2 1 1 A 20 20 LEU H H 20 8.260 8.367 -0.107 1
1 212 . 2 1 1 A 20 20 LEU HA H 20 4.120 4.090 0.030 1
1 221 . 2 1 1 A 20 20 LEU C C 20 177.700 178.296 -0.596 1
1 222 . 2 1 1 A 20 20 LEU CA C 20 57.500 57.891 -0.391 1
1 223 . 2 1 1 A 20 20 LEU CB C 20 42.000 41.593 0.407 1
1 226 . 2 1 1 A 20 20 LEU N N 20 121.900 119.859 2.041 1
1 227 . 2 1 1 A 21 21 MET H H 21 8.020 8.595 -0.575 1
1 228 . 2 1 1 A 21 21 MET HA H 21 4.130 4.166 -0.036 1
1 230 . 2 1 1 A 21 21 MET C C 21 179.300 179.171 0.129 1
1 231 . 2 1 1 A 21 21 MET CA C 21 57.000 58.495 -1.495 1
1 232 . 2 1 1 A 21 21 MET CB C 21 30.300 32.488 -2.188 1
1 233 . 2 1 1 A 21 21 MET N N 21 115.800 117.200 -1.400 1
1 234 . 2 1 1 A 22 22 THR H H 22 7.380 7.784 -0.404 1
1 235 . 2 1 1 A 22 22 THR HA H 22 3.950 3.920 0.030 1
1 240 . 2 1 1 A 22 22 THR C C 22 177.300 176.148 1.152 1
1 241 . 2 1 1 A 22 22 THR CA C 22 66.600 67.342 -0.742 1
1 242 . 2 1 1 A 22 22 THR CB C 22 68.200 68.525 -0.325 1
1 244 . 2 1 1 A 22 22 THR N N 22 116.500 115.929 0.571 1
1 245 . 2 1 1 A 23 23 GLU H H 23 8.650 8.062 0.588 1
1 246 . 2 1 1 A 23 23 GLU HA H 23 3.960 4.063 -0.103 1
1 251 . 2 1 1 A 23 23 GLU C C 23 177.900 178.411 -0.511 1
1 252 . 2 1 1 A 23 23 GLU CA C 23 59.500 58.774 0.726 1
1 253 . 2 1 1 A 23 23 GLU CB C 23 29.600 29.527 0.073 1
1 255 . 2 1 1 A 23 23 GLU N N 23 128.000 120.987 7.013 1
1 256 . 2 1 1 A 24 24 LEU H H 24 8.140 7.774 0.366 1
1 257 . 2 1 1 A 24 24 LEU HA H 24 4.200 4.270 -0.070 1
1 266 . 2 1 1 A 24 24 LEU C C 24 175.800 175.644 0.156 1
1 267 . 2 1 1 A 24 24 LEU CA C 24 54.200 54.885 -0.685 1
1 268 . 2 1 1 A 24 24 LEU CB C 24 41.900 41.569 0.331 1
1 271 . 2 1 1 A 24 24 LEU N N 24 115.900 118.062 -2.162 1
1 272 . 2 1 1 A 25 25 ASP H H 25 7.980 7.866 0.114 1
1 273 . 2 1 1 A 25 25 ASP HA H 25 4.440 4.343 0.097 1
1 276 . 2 1 1 A 25 25 ASP C C 25 175.800 176.109 -0.309 1
1 277 . 2 1 1 A 25 25 ASP CA C 25 55.200 55.397 -0.197 1
1 278 . 2 1 1 A 25 25 ASP CB C 25 39.400 39.015 0.385 1
1 279 . 2 1 1 A 25 25 ASP N N 25 118.400 116.437 1.963 1
1 280 . 2 1 1 A 26 26 CYS H H 26 8.510 7.965 0.545 1
1 281 . 2 1 1 A 26 26 CYS HA H 26 4.460 4.549 -0.089 1
1 284 . 2 1 1 A 26 26 CYS C C 26 174.300 174.860 -0.560 1
1 285 . 2 1 1 A 26 26 CYS CA C 26 58.500 58.260 0.240 1
1 286 . 2 1 1 A 26 26 CYS CB C 26 27.100 26.740 0.360 1
1 287 . 2 1 1 A 26 26 CYS N N 26 117.000 116.639 0.361 1
1 288 . 2 1 1 A 27 27 THR H H 27 7.810 7.708 0.102 1
1 289 . 2 1 1 A 27 27 THR HA H 27 4.450 4.294 0.156 1
1 291 . 2 1 1 A 27 27 THR CA C 27 62.200 64.908 -2.708 1
1 292 . 2 1 1 A 27 27 THR CB C 27 69.400 68.779 0.621 1
1 293 . 2 1 1 A 27 27 THR N N 27 107.800 117.269 -9.469 1
1 294 . 2 1 1 A 29 29 GLY H H 29 8.440 8.965 -0.525 1
1 295 . 2 1 1 A 29 29 GLY HA2 H 29 3.890 3.760 0.130 1
1 296 . 2 1 1 A 29 29 GLY HA3 H 29 3.970 3.772 0.198 1
1 297 . 2 1 1 A 29 29 GLY C C 29 173.800 175.468 -1.668 1
1 298 . 2 1 1 A 29 29 GLY CA C 29 45.800 45.810 -0.010 1
1 299 . 2 1 1 A 29 29 GLY N N 29 108.100 110.828 -2.728 1
1 300 . 2 1 1 A 30 30 HIS H H 30 8.210 7.811 0.399 1
1 301 . 2 1 1 A 30 30 HIS HA H 30 4.650 4.548 0.102 1
1 305 . 2 1 1 A 30 30 HIS C C 30 173.500 175.377 -1.877 1
1 306 . 2 1 1 A 30 30 HIS CA C 30 55.600 58.130 -2.530 1
1 307 . 2 1 1 A 30 30 HIS CB C 30 28.700 29.915 -1.215 1
1 309 . 2 1 1 A 30 30 HIS N N 30 117.300 118.225 -0.925 1
1 310 . 2 1 1 A 31 31 PHE H H 31 7.520 8.076 -0.556 1
1 311 . 2 1 1 A 31 31 PHE HA H 31 5.050 4.839 0.211 1
1 316 . 2 1 1 A 31 31 PHE C C 31 175.200 175.580 -0.380 1
1 317 . 2 1 1 A 31 31 PHE CA C 31 58.000 57.746 0.254 1
1 318 . 2 1 1 A 31 31 PHE CB C 31 41.200 40.995 0.205 1
1 321 . 2 1 1 A 31 31 PHE N N 31 117.000 116.467 0.533 1
1 322 . 2 1 1 A 32 32 ALA H H 32 9.010 8.944 0.066 1
1 323 . 2 1 1 A 32 32 ALA HA H 32 5.010 5.729 -0.719 1
1 327 . 2 1 1 A 32 32 ALA C C 32 174.800 175.999 -1.199 1
1 328 . 2 1 1 A 32 32 ALA CA C 32 50.400 50.291 0.109 1
1 329 . 2 1 1 A 32 32 ALA CB C 32 22.500 23.754 -1.254 1
1 330 . 2 1 1 A 32 32 ALA N N 32 123.800 123.053 0.747 1
1 331 . 2 1 1 A 33 33 VAL H H 33 9.350 8.919 0.431 1
1 332 . 2 1 1 A 33 33 VAL HA H 33 5.130 5.074 0.056 1
1 340 . 2 1 1 A 33 33 VAL C C 33 172.400 174.218 -1.818 1
1 341 . 2 1 1 A 33 33 VAL CA C 33 59.700 59.158 0.542 1
1 342 . 2 1 1 A 33 33 VAL CB C 33 35.000 35.598 -0.598 1
1 345 . 2 1 1 A 33 33 VAL N N 33 120.200 113.225 6.975 1
1 346 . 2 1 1 A 34 34 ALA H H 34 9.100 8.533 0.567 1
1 347 . 2 1 1 A 34 34 ALA HA H 34 5.130 5.459 -0.329 1
1 351 . 2 1 1 A 34 34 ALA C C 34 174.900 175.090 -0.190 1
1 352 . 2 1 1 A 34 34 ALA CA C 34 49.600 50.531 -0.931 1
1 353 . 2 1 1 A 34 34 ALA CB C 34 21.200 22.555 -1.355 1
1 354 . 2 1 1 A 34 34 ALA N N 34 127.800 124.056 3.744 1
1 355 . 2 1 1 A 35 35 LEU H H 35 8.680 9.049 -0.369 1
1 356 . 2 1 1 A 35 35 LEU HA H 35 4.750 4.736 0.014 1
1 366 . 2 1 1 A 35 35 LEU C C 35 175.700 175.668 0.032 1
1 367 . 2 1 1 A 35 35 LEU CA C 35 53.200 53.830 -0.630 1
1 368 . 2 1 1 A 35 35 LEU CB C 35 45.600 44.620 0.980 1
1 372 . 2 1 1 A 35 35 LEU N N 35 125.000 124.451 0.549 1
1 373 . 2 1 1 A 36 36 ASN H H 36 9.960 8.851 1.109 1
1 374 . 2 1 1 A 36 36 ASN HA H 36 3.890 4.393 -0.503 1
1 379 . 2 1 1 A 36 36 ASN C C 36 174.500 174.392 0.108 1
1 380 . 2 1 1 A 36 36 ASN CA C 36 54.900 54.611 0.289 1
1 381 . 2 1 1 A 36 36 ASN CB C 36 36.800 36.896 -0.096 1
1 382 . 2 1 1 A 36 36 ASN N N 36 127.300 126.128 1.172 1
1 384 . 2 1 1 A 37 37 TYR H H 37 8.750 8.081 0.669 1
1 385 . 2 1 1 A 37 37 TYR HA H 37 3.720 4.163 -0.443 1
1 392 . 2 1 1 A 37 37 TYR C C 37 174.100 173.724 0.376 1
1 393 . 2 1 1 A 37 37 TYR CA C 37 59.900 58.722 1.178 1
1 394 . 2 1 1 A 37 37 TYR CB C 37 35.300 35.542 -0.242 1
1 399 . 2 1 1 A 37 37 TYR N N 37 107.500 110.456 -2.956 1
1 400 . 2 1 1 A 38 38 ASP H H 38 7.590 7.802 -0.212 1
1 401 . 2 1 1 A 38 38 ASP HA H 38 5.090 5.018 0.072 1
1 404 . 2 1 1 A 38 38 ASP C C 38 175.400 174.590 0.810 1
1 405 . 2 1 1 A 38 38 ASP CA C 38 53.100 53.786 -0.686 1
1 406 . 2 1 1 A 38 38 ASP CB C 38 42.900 44.159 -1.259 1
1 407 . 2 1 1 A 38 38 ASP N N 38 119.900 118.530 1.370 1
1 408 . 2 1 1 A 39 39 VAL H H 39 8.590 8.842 -0.252 1
1 409 . 2 1 1 A 39 39 VAL HA H 39 4.220 4.383 -0.163 1
1 417 . 2 1 1 A 39 39 VAL C C 39 176.600 175.412 1.188 1
1 418 . 2 1 1 A 39 39 VAL CA C 39 63.600 63.035 0.565 1
1 419 . 2 1 1 A 39 39 VAL CB C 39 31.700 32.146 -0.446 1
1 422 . 2 1 1 A 39 39 VAL N N 39 124.300 126.355 -2.055 1
1 423 . 2 1 1 A 40 40 VAL H H 40 8.970 8.637 0.333 1
1 424 . 2 1 1 A 40 40 VAL HA H 40 4.600 4.605 -0.005 1
1 432 . 2 1 1 A 40 40 VAL CA C 40 59.100 59.336 -0.236 1
1 433 . 2 1 1 A 40 40 VAL CB C 40 32.500 32.695 -0.195 1
1 436 . 2 1 1 A 40 40 VAL N N 40 130.800 127.519 3.281 1
1 437 . 2 1 1 A 41 41 PRO HA H 41 4.580 4.545 0.035 1
1 444 . 2 1 1 A 41 41 PRO C C 41 177.700 177.479 0.221 1
1 445 . 2 1 1 A 41 41 PRO CA C 41 62.800 63.049 -0.249 1
1 446 . 2 1 1 A 41 41 PRO CB C 41 32.300 32.737 -0.437 1
1 449 . 2 1 1 A 42 42 ARG H H 42 8.640 8.350 0.290 1
1 450 . 2 1 1 A 42 42 ARG HA H 42 1.890 2.333 -0.443 1
1 458 . 2 1 1 A 42 42 ARG C C 42 178.800 176.191 2.609 1
1 459 . 2 1 1 A 42 42 ARG CA C 42 58.100 57.366 0.734 1
1 460 . 2 1 1 A 42 42 ARG CB C 42 29.600 28.961 0.639 1
1 462 . 2 1 1 A 42 42 ARG N N 42 124.000 122.809 1.191 1
1 464 . 2 1 1 A 43 43 GLY H H 43 8.690 7.879 0.811 1
1 465 . 2 1 1 A 43 43 GLY HA2 H 43 3.770 3.872 -0.102 1
1 466 . 2 1 1 A 43 43 GLY HA3 H 43 3.870 3.912 -0.042 1
1 467 . 2 1 1 A 43 43 GLY C C 43 174.600 174.629 -0.029 1
1 468 . 2 1 1 A 43 43 GLY CA C 43 45.800 45.596 0.204 1
1 469 . 2 1 1 A 43 43 GLY N N 43 106.000 108.446 -2.446 1
1 470 . 2 1 1 A 44 44 LYS H H 44 8.260 7.945 0.315 1
1 471 . 2 1 1 A 44 44 LYS HA H 44 4.840 4.516 0.324 1
1 480 . 2 1 1 A 44 44 LYS C C 44 179.200 177.120 2.080 1
1 481 . 2 1 1 A 44 44 LYS CA C 44 54.500 56.450 -1.950 1
1 482 . 2 1 1 A 44 44 LYS CB C 44 32.900 32.613 0.287 1
1 486 . 2 1 1 A 44 44 LYS N N 44 115.900 119.677 -3.777 1
1 487 . 2 1 1 A 45 45 TRP H H 45 8.120 7.673 0.447 1
1 488 . 2 1 1 A 45 45 TRP HA H 45 4.350 4.400 -0.050 1
1 497 . 2 1 1 A 45 45 TRP C C 45 178.400 178.352 0.048 1
1 498 . 2 1 1 A 45 45 TRP CA C 45 60.500 59.801 0.699 1
1 499 . 2 1 1 A 45 45 TRP CB C 45 28.500 29.599 -1.099 1
1 505 . 2 1 1 A 45 45 TRP N N 45 124.800 120.818 3.982 1
1 507 . 2 1 1 A 46 46 ASP H H 46 8.950 8.457 0.493 1
1 508 . 2 1 1 A 46 46 ASP HA H 46 4.460 4.402 0.058 1
1 511 . 2 1 1 A 46 46 ASP C C 46 176.800 177.809 -1.009 1
1 512 . 2 1 1 A 46 46 ASP CA C 46 56.900 57.704 -0.804 1
1 513 . 2 1 1 A 46 46 ASP CB C 46 40.400 41.355 -0.955 1
1 514 . 2 1 1 A 46 46 ASP N N 46 117.400 120.987 -3.587 1
1 515 . 2 1 1 A 47 47 GLU H H 47 7.530 7.860 -0.330 1
1 516 . 2 1 1 A 47 47 GLU HA H 47 4.580 4.380 0.200 1
1 521 . 2 1 1 A 47 47 GLU C C 47 175.500 174.892 0.608 1
1 522 . 2 1 1 A 47 47 GLU CA C 47 55.300 56.666 -1.366 1
1 523 . 2 1 1 A 47 47 GLU CB C 47 30.800 30.289 0.511 1
1 525 . 2 1 1 A 47 47 GLU N N 47 114.500 116.541 -2.041 1
1 526 . 2 1 1 A 48 48 THR H H 48 7.230 7.449 -0.219 1
1 527 . 2 1 1 A 48 48 THR HA H 48 4.700 4.740 -0.040 1
1 532 . 2 1 1 A 48 48 THR CA C 48 60.800 59.056 1.744 1
1 533 . 2 1 1 A 48 48 THR CB C 48 70.100 69.863 0.237 1
1 534 . 2 1 1 A 48 48 THR N N 48 119.900 115.644 4.256 1
1 535 . 2 1 1 A 49 49 PRO HA H 49 4.890 4.712 0.178 1
1 542 . 2 1 1 A 49 49 PRO C C 49 175.400 175.382 0.018 1
1 543 . 2 1 1 A 49 49 PRO CA C 49 62.100 62.436 -0.336 1
1 544 . 2 1 1 A 49 49 PRO CB C 49 32.900 32.872 0.028 1
1 547 . 2 1 1 A 50 50 VAL H H 50 6.960 8.763 -1.803 1
1 548 . 2 1 1 A 50 50 VAL HA H 50 4.030 4.781 -0.751 1
1 556 . 2 1 1 A 50 50 VAL C C 50 173.800 174.654 -0.854 1
1 557 . 2 1 1 A 50 50 VAL CA C 50 61.400 60.338 1.062 1
1 558 . 2 1 1 A 50 50 VAL CB C 50 33.900 34.244 -0.344 1
1 561 . 2 1 1 A 50 50 VAL N N 50 119.400 120.436 -1.036 1
1 562 . 2 1 1 A 51 51 THR H H 51 8.940 8.913 0.027 1
1 563 . 2 1 1 A 51 51 THR HA H 51 4.460 4.754 -0.294 1
1 568 . 2 1 1 A 51 51 THR C C 51 172.300 174.293 -1.993 1
1 569 . 2 1 1 A 51 51 THR CA C 51 60.600 61.049 -0.449 1
1 570 . 2 1 1 A 51 51 THR CB C 51 71.000 70.875 0.125 1
1 571 . 2 1 1 A 51 51 THR N N 51 122.600 124.194 -1.594 1
1 572 . 2 1 1 A 52 52 ALA H H 52 8.150 8.555 -0.405 1
1 573 . 2 1 1 A 52 52 ALA HA H 52 3.940 3.949 -0.009 1
1 577 . 2 1 1 A 52 52 ALA C C 52 179.100 178.142 0.958 1
1 578 . 2 1 1 A 52 52 ALA CA C 52 53.700 53.968 -0.268 1
1 579 . 2 1 1 A 52 52 ALA CB C 52 18.200 18.478 -0.278 1
1 580 . 2 1 1 A 52 52 ALA N N 52 125.400 128.940 -3.540 1
1 581 . 2 1 1 A 53 53 GLY H H 53 9.160 8.750 0.410 1
1 582 . 2 1 1 A 53 53 GLY HA2 H 53 3.670 4.035 -0.365 1
1 583 . 2 1 1 A 53 53 GLY HA3 H 53 4.310 4.037 0.273 1
1 584 . 2 1 1 A 53 53 GLY C C 53 174.900 174.640 0.260 1
1 585 . 2 1 1 A 53 53 GLY CA C 53 44.700 45.140 -0.440 1
1 586 . 2 1 1 A 53 53 GLY N N 53 111.000 111.499 -0.499 1
1 587 . 2 1 1 A 54 54 ASP H H 54 8.180 8.289 -0.109 1
1 588 . 2 1 1 A 54 54 ASP HA H 54 4.700 4.634 0.066 1
1 591 . 2 1 1 A 54 54 ASP C C 54 174.600 175.494 -0.894 1
1 592 . 2 1 1 A 54 54 ASP CA C 54 56.100 55.064 1.036 1
1 593 . 2 1 1 A 54 54 ASP CB C 54 41.800 41.724 0.076 1
1 594 . 2 1 1 A 54 54 ASP N N 54 122.700 121.998 0.702 1
1 595 . 2 1 1 A 55 55 GLU H H 55 8.160 8.685 -0.525 1
1 596 . 2 1 1 A 55 55 GLU HA H 55 4.730 4.758 -0.028 1
1 601 . 2 1 1 A 55 55 GLU C C 55 175.000 175.113 -0.113 1
1 602 . 2 1 1 A 55 55 GLU CA C 55 55.100 55.831 -0.731 1
1 603 . 2 1 1 A 55 55 GLU CB C 55 30.500 30.640 -0.140 1
1 605 . 2 1 1 A 55 55 GLU N N 55 118.800 123.289 -4.489 1
1 606 . 2 1 1 A 56 56 ILE H H 56 9.320 8.853 0.467 1
1 607 . 2 1 1 A 56 56 ILE HA H 56 4.950 4.929 0.021 1
1 617 . 2 1 1 A 56 56 ILE C C 56 175.100 175.005 0.095 1
1 618 . 2 1 1 A 56 56 ILE CA C 56 59.800 59.793 0.007 1
1 619 . 2 1 1 A 56 56 ILE CB C 56 40.200 40.685 -0.485 1
1 623 . 2 1 1 A 56 56 ILE N N 56 127.400 127.482 -0.082 1
1 624 . 2 1 1 A 57 57 GLU H H 57 9.170 8.674 0.496 1
1 625 . 2 1 1 A 57 57 GLU HA H 57 5.000 5.199 -0.199 1
1 630 . 2 1 1 A 57 57 GLU C C 57 174.100 175.178 -1.078 1
1 631 . 2 1 1 A 57 57 GLU CA C 57 54.400 54.517 -0.117 1
1 632 . 2 1 1 A 57 57 GLU CB C 57 32.900 32.676 0.224 1
1 634 . 2 1 1 A 57 57 GLU N N 57 129.600 126.040 3.560 1
1 635 . 2 1 1 A 58 58 ILE H H 58 9.500 9.616 -0.116 1
1 636 . 2 1 1 A 58 58 ILE HA H 58 4.610 4.644 -0.034 1
1 646 . 2 1 1 A 58 58 ILE C C 58 175.900 175.991 -0.091 1
1 647 . 2 1 1 A 58 58 ILE CA C 58 59.900 59.488 0.412 1
1 648 . 2 1 1 A 58 58 ILE CB C 58 37.800 38.929 -1.129 1
1 652 . 2 1 1 A 58 58 ILE N N 58 126.500 125.412 1.088 1
1 653 . 2 1 1 A 59 59 LEU H H 59 9.150 8.581 0.569 1
1 654 . 2 1 1 A 59 59 LEU HA H 59 4.840 4.446 0.394 1
1 663 . 2 1 1 A 59 59 LEU C C 59 175.800 176.705 -0.905 1
1 664 . 2 1 1 A 59 59 LEU CA C 59 53.800 54.977 -1.177 1
1 665 . 2 1 1 A 59 59 LEU CB C 59 44.300 42.563 1.737 1
1 668 . 2 1 1 A 59 59 LEU N N 59 129.800 129.078 0.722 1
1 669 . 2 1 1 A 60 60 THR H H 60 8.470 8.645 -0.175 1
1 673 . 2 1 1 A 60 60 THR CA C 60 58.200 58.541 -0.341 1
1 674 . 2 1 1 A 60 60 THR CB C 60 69.900 69.238 0.662 1
1 676 . 2 1 1 A 60 60 THR N N 60 114.300 114.426 -0.126 1
1 677 . 2 1 1 A 61 61 PRO HA H 61 4.400 4.388 0.012 1
1 680 . 2 1 1 A 61 61 PRO CA C 61 63.200 65.894 -2.694 1
1 681 . 2 1 1 A 61 61 PRO CB C 61 32.100 31.595 0.505 1
1 682 . 2 1 1 A 62 62 ARG HA H 62 4.260 4.501 -0.241 1
1 689 . 2 1 1 A 62 62 ARG C C 62 176.500 175.895 0.605 1
1 690 . 2 1 1 A 62 62 ARG CA C 62 56.500 55.855 0.645 1
1 691 . 2 1 1 A 62 62 ARG CB C 62 30.500 30.937 -0.437 1
1 694 . 2 1 1 A 63 63 GLN H H 63 8.500 8.999 -0.499 1
1 695 . 2 1 1 A 63 63 GLN HA H 63 4.250 4.382 -0.132 1
1 702 . 2 1 1 A 63 63 GLN C C 63 176.400 177.478 -1.078 1
1 703 . 2 1 1 A 63 63 GLN CA C 63 56.000 57.191 -1.191 1
1 704 . 2 1 1 A 63 63 GLN CB C 63 29.200 30.294 -1.094 1
1 706 . 2 1 1 A 63 63 GLN N N 63 121.700 124.230 -2.530 1
1 708 . 2 1 1 A 64 64 GLY H H 64 8.330 8.033 0.297 1
1 709 . 2 1 1 A 64 64 GLY HA2 H 64 3.940 3.942 -0.002 1
1 710 . 2 1 1 A 64 64 GLY HA3 H 64 3.940 3.962 -0.022 1
1 711 . 2 1 1 A 64 64 GLY C C 64 174.500 174.731 -0.231 1
1 712 . 2 1 1 A 64 64 GLY CA C 64 45.300 45.226 0.074 1
1 713 . 2 1 1 A 64 64 GLY N N 64 110.100 106.957 3.143 1
1 714 . 2 1 1 A 65 65 GLY H H 65 8.260 8.110 0.150 1
1 715 . 2 1 1 A 65 65 GLY HA2 H 65 3.940 3.950 -0.010 1
1 716 . 2 1 1 A 65 65 GLY HA3 H 65 3.940 3.965 -0.025 1
1 717 . 2 1 1 A 65 65 GLY C C 65 174.200 173.526 0.674 1
1 718 . 2 1 1 A 65 65 GLY CA C 65 45.200 46.226 -1.026 1
1 719 . 2 1 1 A 65 65 GLY N N 65 108.500 107.986 0.514 1
1 720 . 2 1 1 A 66 66 LEU H H 66 8.200 8.725 -0.525 1
1 721 . 2 1 1 A 66 66 LEU HA H 66 4.250 4.558 -0.308 1
1 730 . 2 1 1 A 66 66 LEU C C 66 177.400 176.828 0.572 1
1 731 . 2 1 1 A 66 66 LEU CA C 66 55.200 54.106 1.094 1
1 732 . 2 1 1 A 66 66 LEU CB C 66 42.300 42.052 0.248 1
1 736 . 2 1 1 A 66 66 LEU N N 66 121.200 125.531 -4.331 1
1 737 . 2 1 1 A 67 67 GLU H H 67 8.460 8.864 -0.404 1
1 738 . 2 1 1 A 67 67 GLU HA H 67 4.170 4.536 -0.366 1
1 743 . 2 1 1 A 67 67 GLU CA C 67 56.500 56.285 0.215 1
1 744 . 2 1 1 A 67 67 GLU CB C 67 30.000 30.434 -0.434 1
1 2 . 3 1 1 A 2 2 LEU H H 2 8.810 8.520 0.290 1
1 3 . 3 1 1 A 2 2 LEU HA H 2 4.930 4.545 0.385 1
1 12 . 3 1 1 A 2 2 LEU C C 2 175.900 176.674 -0.774 1
1 13 . 3 1 1 A 2 2 LEU CA C 2 55.100 54.185 0.915 1
1 14 . 3 1 1 A 2 2 LEU CB C 2 42.600 42.211 0.389 1
1 17 . 3 1 1 A 2 2 LEU N N 2 127.000 121.409 5.591 1
1 18 . 3 1 1 A 3 3 VAL H H 3 8.670 8.974 -0.304 1
1 19 . 3 1 1 A 3 3 VAL HA H 3 4.580 4.841 -0.261 1
1 27 . 3 1 1 A 3 3 VAL C C 3 174.000 174.559 -0.559 1
1 28 . 3 1 1 A 3 3 VAL CA C 3 59.400 59.685 -0.285 1
1 29 . 3 1 1 A 3 3 VAL CB C 3 35.500 34.405 1.095 1
1 32 . 3 1 1 A 3 3 VAL N N 3 119.900 119.391 0.509 1
1 33 . 3 1 1 A 4 4 THR H H 4 8.310 8.848 -0.538 1
1 34 . 3 1 1 A 4 4 THR HA H 4 4.850 4.798 0.052 1
1 39 . 3 1 1 A 4 4 THR C C 4 173.600 174.036 -0.436 1
1 40 . 3 1 1 A 4 4 THR CA C 4 61.700 62.257 -0.557 1
1 41 . 3 1 1 A 4 4 THR CB C 4 69.500 69.156 0.344 1
1 43 . 3 1 1 A 4 4 THR N N 4 116.000 120.676 -4.676 1
1 44 . 3 1 1 A 5 5 ILE H H 5 9.060 9.342 -0.282 1
1 45 . 3 1 1 A 5 5 ILE HA H 5 4.830 4.778 0.052 1
1 55 . 3 1 1 A 5 5 ILE C C 5 176.100 175.840 0.260 1
1 56 . 3 1 1 A 5 5 ILE CA C 5 59.400 60.238 -0.838 1
1 57 . 3 1 1 A 5 5 ILE CB C 5 39.300 39.240 0.060 1
1 61 . 3 1 1 A 5 5 ILE N N 5 125.000 127.316 -2.316 1
1 62 . 3 1 1 A 6 6 ASN H H 6 9.480 9.301 0.179 1
1 63 . 3 1 1 A 6 6 ASN HA H 6 4.510 4.447 0.063 1
1 68 . 3 1 1 A 6 6 ASN C C 6 175.700 175.567 0.133 1
1 69 . 3 1 1 A 6 6 ASN CA C 6 54.100 54.645 -0.545 1
1 70 . 3 1 1 A 6 6 ASN CB C 6 36.100 37.254 -1.154 1
1 71 . 3 1 1 A 6 6 ASN N N 6 129.500 127.879 1.621 1
1 73 . 3 1 1 A 7 7 GLY H H 7 8.860 8.620 0.240 1
1 74 . 3 1 1 A 7 7 GLY HA2 H 7 3.560 3.861 -0.301 1
1 75 . 3 1 1 A 7 7 GLY HA3 H 7 4.180 3.866 0.314 1
1 76 . 3 1 1 A 7 7 GLY C C 7 173.500 173.959 -0.459 1
1 77 . 3 1 1 A 7 7 GLY CA C 7 45.300 45.542 -0.242 1
1 78 . 3 1 1 A 7 7 GLY N N 7 102.200 103.885 -1.685 1
1 79 . 3 1 1 A 8 8 GLU H H 8 7.790 7.933 -0.143 1
1 80 . 3 1 1 A 8 8 GLU HA H 8 4.690 4.741 -0.051 1
1 85 . 3 1 1 A 8 8 GLU C C 8 175.300 174.940 0.360 1
1 86 . 3 1 1 A 8 8 GLU CA C 8 54.200 54.807 -0.607 1
1 87 . 3 1 1 A 8 8 GLU CB C 8 32.300 32.351 -0.051 1
1 89 . 3 1 1 A 8 8 GLU N N 8 120.900 120.106 0.794 1
1 90 . 3 1 1 A 9 9 GLN H H 9 8.940 8.635 0.305 1
1 91 . 3 1 1 A 9 9 GLN HA H 9 4.770 4.681 0.089 1
1 96 . 3 1 1 A 9 9 GLN C C 9 176.000 175.246 0.754 1
1 97 . 3 1 1 A 9 9 GLN CA C 9 56.900 55.989 0.911 1
1 98 . 3 1 1 A 9 9 GLN CB C 9 29.300 29.031 0.269 1
1 100 . 3 1 1 A 9 9 GLN N N 9 125.800 126.096 -0.296 1
1 101 . 3 1 1 A 10 10 ARG H H 10 9.230 8.513 0.717 1
1 102 . 3 1 1 A 10 10 ARG HA H 10 4.580 4.747 -0.167 1
1 110 . 3 1 1 A 10 10 ARG C C 10 173.300 173.766 -0.466 1
1 111 . 3 1 1 A 10 10 ARG CA C 10 54.400 55.020 -0.620 1
1 112 . 3 1 1 A 10 10 ARG CB C 10 34.400 34.434 -0.034 1
1 115 . 3 1 1 A 10 10 ARG N N 10 125.200 123.887 1.313 1
1 117 . 3 1 1 A 11 11 GLU H H 11 8.380 8.781 -0.401 1
1 118 . 3 1 1 A 11 11 GLU HA H 11 4.860 4.996 -0.136 1
1 123 . 3 1 1 A 11 11 GLU C C 11 176.900 175.803 1.097 1
1 124 . 3 1 1 A 11 11 GLU CA C 11 54.800 55.503 -0.703 1
1 125 . 3 1 1 A 11 11 GLU CB C 11 30.000 31.610 -1.610 1
1 127 . 3 1 1 A 11 11 GLU N N 11 123.300 126.080 -2.780 1
1 128 . 3 1 1 A 12 12 VAL H H 12 9.070 8.805 0.265 1
1 129 . 3 1 1 A 12 12 VAL HA H 12 4.870 4.723 0.147 1
1 137 . 3 1 1 A 12 12 VAL C C 12 175.200 175.290 -0.090 1
1 138 . 3 1 1 A 12 12 VAL CA C 12 58.600 58.876 -0.276 1
1 139 . 3 1 1 A 12 12 VAL CB C 12 34.400 35.097 -0.697 1
1 142 . 3 1 1 A 12 12 VAL N N 12 119.600 119.781 -0.181 1
1 143 . 3 1 1 A 13 13 GLN H H 13 10.260 8.752 1.508 1
1 144 . 3 1 1 A 13 13 GLN HA H 13 4.550 4.408 0.142 1
1 149 . 3 1 1 A 13 13 GLN C C 13 177.700 176.109 1.591 1
1 150 . 3 1 1 A 13 13 GLN CA C 13 55.200 56.291 -1.091 1
1 151 . 3 1 1 A 13 13 GLN CB C 13 30.000 30.859 -0.859 1
1 152 . 3 1 1 A 13 13 GLN N N 13 120.900 121.467 -0.567 1
1 153 . 3 1 1 A 14 14 SER H H 14 8.190 7.692 0.498 1
1 154 . 3 1 1 A 14 14 SER HA H 14 4.100 4.312 -0.212 1
1 157 . 3 1 1 A 14 14 SER C C 14 171.700 174.659 -2.959 1
1 158 . 3 1 1 A 14 14 SER CA C 14 61.000 59.953 1.047 1
1 159 . 3 1 1 A 14 14 SER CB C 14 65.300 63.764 1.536 1
1 160 . 3 1 1 A 14 14 SER N N 14 118.500 116.336 2.164 1
1 161 . 3 1 1 A 15 15 ALA H H 15 8.320 8.737 -0.417 1
1 162 . 3 1 1 A 15 15 ALA HA H 15 4.610 4.456 0.154 1
1 166 . 3 1 1 A 15 15 ALA C C 15 177.900 176.874 1.026 1
1 167 . 3 1 1 A 15 15 ALA CA C 15 51.200 52.212 -1.012 1
1 168 . 3 1 1 A 15 15 ALA CB C 15 20.100 19.903 0.197 1
1 169 . 3 1 1 A 15 15 ALA N N 15 118.500 125.909 -7.409 1
1 170 . 3 1 1 A 16 16 SER H H 16 7.480 7.653 -0.173 1
1 171 . 3 1 1 A 16 16 SER HA H 16 5.390 4.768 0.622 1
1 174 . 3 1 1 A 16 16 SER C C 16 174.600 173.952 0.648 1
1 175 . 3 1 1 A 16 16 SER CA C 16 55.600 56.600 -1.000 1
1 176 . 3 1 1 A 16 16 SER CB C 16 67.400 65.453 1.947 1
1 177 . 3 1 1 A 16 16 SER N N 16 112.400 112.351 0.049 1
1 178 . 3 1 1 A 17 17 VAL H H 17 8.810 8.627 0.183 1
1 179 . 3 1 1 A 17 17 VAL HA H 17 3.120 3.555 -0.435 1
1 187 . 3 1 1 A 17 17 VAL C C 17 176.500 177.213 -0.713 1
1 188 . 3 1 1 A 17 17 VAL CA C 17 66.900 66.256 0.644 1
1 189 . 3 1 1 A 17 17 VAL CB C 17 31.300 31.558 -0.258 1
1 192 . 3 1 1 A 17 17 VAL N N 17 122.400 126.246 -3.846 1
1 193 . 3 1 1 A 18 18 ALA H H 18 7.460 8.646 -1.186 1
1 194 . 3 1 1 A 18 18 ALA HA H 18 4.000 4.045 -0.045 1
1 198 . 3 1 1 A 18 18 ALA C C 18 179.600 179.507 0.093 1
1 199 . 3 1 1 A 18 18 ALA CA C 18 55.300 55.781 -0.481 1
1 200 . 3 1 1 A 18 18 ALA CB C 18 18.800 17.988 0.812 1
1 201 . 3 1 1 A 18 18 ALA N N 18 119.300 121.999 -2.699 1
1 202 . 3 1 1 A 19 19 ALA H H 19 7.620 7.836 -0.216 1
1 203 . 3 1 1 A 19 19 ALA HA H 19 4.130 4.183 -0.053 1
1 207 . 3 1 1 A 19 19 ALA C C 19 179.500 180.157 -0.657 1
1 208 . 3 1 1 A 19 19 ALA CA C 19 55.000 55.060 -0.060 1
1 209 . 3 1 1 A 19 19 ALA CB C 19 17.400 18.067 -0.667 1
1 210 . 3 1 1 A 19 19 ALA N N 19 120.000 120.894 -0.894 1
1 211 . 3 1 1 A 20 20 LEU H H 20 8.260 8.053 0.207 1
1 212 . 3 1 1 A 20 20 LEU HA H 20 4.120 4.199 -0.079 1
1 221 . 3 1 1 A 20 20 LEU C C 20 177.700 178.868 -1.168 1
1 222 . 3 1 1 A 20 20 LEU CA C 20 57.500 57.848 -0.348 1
1 223 . 3 1 1 A 20 20 LEU CB C 20 42.000 41.572 0.428 1
1 226 . 3 1 1 A 20 20 LEU N N 20 121.900 120.020 1.880 1
1 227 . 3 1 1 A 21 21 MET H H 21 8.020 8.197 -0.177 1
1 228 . 3 1 1 A 21 21 MET HA H 21 4.130 4.098 0.032 1
1 230 . 3 1 1 A 21 21 MET C C 21 179.300 179.110 0.190 1
1 231 . 3 1 1 A 21 21 MET CA C 21 57.000 58.947 -1.947 1
1 232 . 3 1 1 A 21 21 MET CB C 21 30.300 32.903 -2.603 1
1 233 . 3 1 1 A 21 21 MET N N 21 115.800 117.282 -1.482 1
1 234 . 3 1 1 A 22 22 THR H H 22 7.380 7.694 -0.314 1
1 235 . 3 1 1 A 22 22 THR HA H 22 3.950 3.982 -0.032 1
1 240 . 3 1 1 A 22 22 THR C C 22 177.300 176.017 1.283 1
1 241 . 3 1 1 A 22 22 THR CA C 22 66.600 67.462 -0.862 1
1 242 . 3 1 1 A 22 22 THR CB C 22 68.200 68.186 0.014 1
1 244 . 3 1 1 A 22 22 THR N N 22 116.500 115.590 0.910 1
1 245 . 3 1 1 A 23 23 GLU H H 23 8.650 8.231 0.419 1
1 246 . 3 1 1 A 23 23 GLU HA H 23 3.960 4.036 -0.076 1
1 251 . 3 1 1 A 23 23 GLU C C 23 177.900 178.544 -0.644 1
1 252 . 3 1 1 A 23 23 GLU CA C 23 59.500 59.238 0.262 1
1 253 . 3 1 1 A 23 23 GLU CB C 23 29.600 29.296 0.304 1
1 255 . 3 1 1 A 23 23 GLU N N 23 128.000 121.524 6.476 1
1 256 . 3 1 1 A 24 24 LEU H H 24 8.140 7.676 0.464 1
1 257 . 3 1 1 A 24 24 LEU HA H 24 4.200 4.267 -0.067 1
1 266 . 3 1 1 A 24 24 LEU C C 24 175.800 175.645 0.155 1
1 267 . 3 1 1 A 24 24 LEU CA C 24 54.200 54.932 -0.732 1
1 268 . 3 1 1 A 24 24 LEU CB C 24 41.900 41.846 0.054 1
1 271 . 3 1 1 A 24 24 LEU N N 24 115.900 117.826 -1.926 1
1 272 . 3 1 1 A 25 25 ASP H H 25 7.980 8.172 -0.192 1
1 273 . 3 1 1 A 25 25 ASP HA H 25 4.440 4.360 0.080 1
1 276 . 3 1 1 A 25 25 ASP C C 25 175.800 176.351 -0.551 1
1 277 . 3 1 1 A 25 25 ASP CA C 25 55.200 55.449 -0.249 1
1 278 . 3 1 1 A 25 25 ASP CB C 25 39.400 39.047 0.353 1
1 279 . 3 1 1 A 25 25 ASP N N 25 118.400 116.128 2.272 1
1 280 . 3 1 1 A 26 26 CYS H H 26 8.510 7.952 0.558 1
1 281 . 3 1 1 A 26 26 CYS HA H 26 4.460 4.246 0.214 1
1 284 . 3 1 1 A 26 26 CYS C C 26 174.300 174.875 -0.575 1
1 285 . 3 1 1 A 26 26 CYS CA C 26 58.500 62.095 -3.595 1
1 286 . 3 1 1 A 26 26 CYS CB C 26 27.100 28.182 -1.082 1
1 287 . 3 1 1 A 26 26 CYS N N 26 117.000 116.318 0.682 1
1 288 . 3 1 1 A 27 27 THR H H 27 7.810 8.228 -0.418 1
1 289 . 3 1 1 A 27 27 THR HA H 27 4.450 4.276 0.174 1
1 291 . 3 1 1 A 27 27 THR CA C 27 62.200 63.733 -1.533 1
1 292 . 3 1 1 A 27 27 THR CB C 27 69.400 68.391 1.009 1
1 293 . 3 1 1 A 27 27 THR N N 27 107.800 115.578 -7.778 1
1 294 . 3 1 1 A 29 29 GLY H H 29 8.440 8.489 -0.049 1
1 295 . 3 1 1 A 29 29 GLY HA2 H 29 3.890 3.806 0.084 1
1 296 . 3 1 1 A 29 29 GLY HA3 H 29 3.970 3.921 0.049 1
1 297 . 3 1 1 A 29 29 GLY C C 29 173.800 176.001 -2.201 1
1 298 . 3 1 1 A 29 29 GLY CA C 29 45.800 45.230 0.570 1
1 299 . 3 1 1 A 29 29 GLY N N 29 108.100 108.547 -0.447 1
1 300 . 3 1 1 A 30 30 HIS H H 30 8.210 7.751 0.459 1
1 301 . 3 1 1 A 30 30 HIS HA H 30 4.650 4.363 0.287 1
1 305 . 3 1 1 A 30 30 HIS C C 30 173.500 174.743 -1.243 1
1 306 . 3 1 1 A 30 30 HIS CA C 30 55.600 57.282 -1.682 1
1 307 . 3 1 1 A 30 30 HIS CB C 30 28.700 29.463 -0.763 1
1 309 . 3 1 1 A 30 30 HIS N N 30 117.300 117.149 0.151 1
1 310 . 3 1 1 A 31 31 PHE H H 31 7.520 7.800 -0.280 1
1 311 . 3 1 1 A 31 31 PHE HA H 31 5.050 4.831 0.219 1
1 316 . 3 1 1 A 31 31 PHE C C 31 175.200 175.430 -0.230 1
1 317 . 3 1 1 A 31 31 PHE CA C 31 58.000 57.783 0.217 1
1 318 . 3 1 1 A 31 31 PHE CB C 31 41.200 40.985 0.215 1
1 321 . 3 1 1 A 31 31 PHE N N 31 117.000 118.443 -1.443 1
1 322 . 3 1 1 A 32 32 ALA H H 32 9.010 8.508 0.502 1
1 323 . 3 1 1 A 32 32 ALA HA H 32 5.010 5.814 -0.804 1
1 327 . 3 1 1 A 32 32 ALA C C 32 174.800 176.297 -1.497 1
1 328 . 3 1 1 A 32 32 ALA CA C 32 50.400 50.201 0.199 1
1 329 . 3 1 1 A 32 32 ALA CB C 32 22.500 23.483 -0.983 1
1 330 . 3 1 1 A 32 32 ALA N N 32 123.800 123.365 0.435 1
1 331 . 3 1 1 A 33 33 VAL H H 33 9.350 8.908 0.442 1
1 332 . 3 1 1 A 33 33 VAL HA H 33 5.130 5.051 0.079 1
1 340 . 3 1 1 A 33 33 VAL C C 33 172.400 174.362 -1.962 1
1 341 . 3 1 1 A 33 33 VAL CA C 33 59.700 59.240 0.460 1
1 342 . 3 1 1 A 33 33 VAL CB C 33 35.000 35.482 -0.482 1
1 345 . 3 1 1 A 33 33 VAL N N 33 120.200 112.388 7.812 1
1 346 . 3 1 1 A 34 34 ALA H H 34 9.100 8.581 0.519 1
1 347 . 3 1 1 A 34 34 ALA HA H 34 5.130 5.481 -0.351 1
1 351 . 3 1 1 A 34 34 ALA C C 34 174.900 174.906 -0.006 1
1 352 . 3 1 1 A 34 34 ALA CA C 34 49.600 50.670 -1.070 1
1 353 . 3 1 1 A 34 34 ALA CB C 34 21.200 22.547 -1.347 1
1 354 . 3 1 1 A 34 34 ALA N N 34 127.800 124.044 3.756 1
1 355 . 3 1 1 A 35 35 LEU H H 35 8.680 9.012 -0.332 1
1 356 . 3 1 1 A 35 35 LEU HA H 35 4.750 4.700 0.050 1
1 366 . 3 1 1 A 35 35 LEU C C 35 175.700 175.707 -0.007 1
1 367 . 3 1 1 A 35 35 LEU CA C 35 53.200 53.584 -0.384 1
1 368 . 3 1 1 A 35 35 LEU CB C 35 45.600 44.664 0.936 1
1 372 . 3 1 1 A 35 35 LEU N N 35 125.000 124.772 0.228 1
1 373 . 3 1 1 A 36 36 ASN H H 36 9.960 8.850 1.110 1
1 374 . 3 1 1 A 36 36 ASN HA H 36 3.890 4.343 -0.453 1
1 379 . 3 1 1 A 36 36 ASN C C 36 174.500 174.368 0.132 1
1 380 . 3 1 1 A 36 36 ASN CA C 36 54.900 54.616 0.284 1
1 381 . 3 1 1 A 36 36 ASN CB C 36 36.800 36.986 -0.186 1
1 382 . 3 1 1 A 36 36 ASN N N 36 127.300 126.088 1.212 1
1 384 . 3 1 1 A 37 37 TYR H H 37 8.750 8.017 0.733 1
1 385 . 3 1 1 A 37 37 TYR HA H 37 3.720 4.141 -0.421 1
1 392 . 3 1 1 A 37 37 TYR C C 37 174.100 173.714 0.386 1
1 393 . 3 1 1 A 37 37 TYR CA C 37 59.900 58.827 1.073 1
1 394 . 3 1 1 A 37 37 TYR CB C 37 35.300 35.586 -0.286 1
1 399 . 3 1 1 A 37 37 TYR N N 37 107.500 110.462 -2.962 1
1 400 . 3 1 1 A 38 38 ASP H H 38 7.590 7.795 -0.205 1
1 401 . 3 1 1 A 38 38 ASP HA H 38 5.090 4.977 0.113 1
1 404 . 3 1 1 A 38 38 ASP C C 38 175.400 174.587 0.813 1
1 405 . 3 1 1 A 38 38 ASP CA C 38 53.100 53.770 -0.670 1
1 406 . 3 1 1 A 38 38 ASP CB C 38 42.900 44.164 -1.264 1
1 407 . 3 1 1 A 38 38 ASP N N 38 119.900 118.335 1.565 1
1 408 . 3 1 1 A 39 39 VAL H H 39 8.590 8.854 -0.264 1
1 409 . 3 1 1 A 39 39 VAL HA H 39 4.220 4.437 -0.217 1
1 417 . 3 1 1 A 39 39 VAL C C 39 176.600 175.400 1.200 1
1 418 . 3 1 1 A 39 39 VAL CA C 39 63.600 63.049 0.551 1
1 419 . 3 1 1 A 39 39 VAL CB C 39 31.700 32.144 -0.444 1
1 422 . 3 1 1 A 39 39 VAL N N 39 124.300 126.379 -2.079 1
1 423 . 3 1 1 A 40 40 VAL H H 40 8.970 8.470 0.500 1
1 424 . 3 1 1 A 40 40 VAL HA H 40 4.600 4.606 -0.006 1
1 432 . 3 1 1 A 40 40 VAL CA C 40 59.100 59.343 -0.243 1
1 433 . 3 1 1 A 40 40 VAL CB C 40 32.500 32.822 -0.322 1
1 436 . 3 1 1 A 40 40 VAL N N 40 130.800 127.588 3.212 1
1 437 . 3 1 1 A 41 41 PRO HA H 41 4.580 4.541 0.039 1
1 444 . 3 1 1 A 41 41 PRO C C 41 177.700 177.379 0.321 1
1 445 . 3 1 1 A 41 41 PRO CA C 41 62.800 63.078 -0.278 1
1 446 . 3 1 1 A 41 41 PRO CB C 41 32.300 32.691 -0.391 1
1 449 . 3 1 1 A 42 42 ARG H H 42 8.640 8.394 0.246 1
1 450 . 3 1 1 A 42 42 ARG HA H 42 1.890 2.220 -0.330 1
1 458 . 3 1 1 A 42 42 ARG C C 42 178.800 176.657 2.143 1
1 459 . 3 1 1 A 42 42 ARG CA C 42 58.100 57.827 0.273 1
1 460 . 3 1 1 A 42 42 ARG CB C 42 29.600 29.501 0.099 1
1 462 . 3 1 1 A 42 42 ARG N N 42 124.000 122.179 1.821 1
1 464 . 3 1 1 A 43 43 GLY H H 43 8.690 7.811 0.879 1
1 465 . 3 1 1 A 43 43 GLY HA2 H 43 3.770 3.864 -0.094 1
1 466 . 3 1 1 A 43 43 GLY HA3 H 43 3.870 3.903 -0.033 1
1 467 . 3 1 1 A 43 43 GLY C C 43 174.600 174.598 0.002 1
1 468 . 3 1 1 A 43 43 GLY CA C 43 45.800 45.536 0.264 1
1 469 . 3 1 1 A 43 43 GLY N N 43 106.000 107.720 -1.720 1
1 470 . 3 1 1 A 44 44 LYS H H 44 8.260 7.961 0.299 1
1 471 . 3 1 1 A 44 44 LYS HA H 44 4.840 4.510 0.330 1
1 480 . 3 1 1 A 44 44 LYS C C 44 179.200 177.121 2.079 1
1 481 . 3 1 1 A 44 44 LYS CA C 44 54.500 56.277 -1.777 1
1 482 . 3 1 1 A 44 44 LYS CB C 44 32.900 32.611 0.289 1
1 486 . 3 1 1 A 44 44 LYS N N 44 115.900 119.229 -3.329 1
1 487 . 3 1 1 A 45 45 TRP H H 45 8.120 7.710 0.410 1
1 488 . 3 1 1 A 45 45 TRP HA H 45 4.350 4.328 0.022 1
1 497 . 3 1 1 A 45 45 TRP C C 45 178.400 178.310 0.090 1
1 498 . 3 1 1 A 45 45 TRP CA C 45 60.500 60.209 0.291 1
1 499 . 3 1 1 A 45 45 TRP CB C 45 28.500 29.788 -1.288 1
1 505 . 3 1 1 A 45 45 TRP N N 45 124.800 120.569 4.231 1
1 507 . 3 1 1 A 46 46 ASP H H 46 8.950 8.494 0.456 1
1 508 . 3 1 1 A 46 46 ASP HA H 46 4.460 4.383 0.077 1
1 511 . 3 1 1 A 46 46 ASP C C 46 176.800 178.277 -1.477 1
1 512 . 3 1 1 A 46 46 ASP CA C 46 56.900 57.718 -0.818 1
1 513 . 3 1 1 A 46 46 ASP CB C 46 40.400 41.381 -0.981 1
1 514 . 3 1 1 A 46 46 ASP N N 46 117.400 120.888 -3.488 1
1 515 . 3 1 1 A 47 47 GLU H H 47 7.530 8.365 -0.835 1
1 516 . 3 1 1 A 47 47 GLU HA H 47 4.580 4.319 0.261 1
1 521 . 3 1 1 A 47 47 GLU C C 47 175.500 175.639 -0.139 1
1 522 . 3 1 1 A 47 47 GLU CA C 47 55.300 56.721 -1.421 1
1 523 . 3 1 1 A 47 47 GLU CB C 47 30.800 29.098 1.702 1
1 525 . 3 1 1 A 47 47 GLU N N 47 114.500 115.034 -0.534 1
1 526 . 3 1 1 A 48 48 THR H H 48 7.230 7.448 -0.218 1
1 527 . 3 1 1 A 48 48 THR HA H 48 4.700 4.621 0.079 1
1 532 . 3 1 1 A 48 48 THR CA C 48 60.800 59.276 1.524 1
1 533 . 3 1 1 A 48 48 THR CB C 48 70.100 69.677 0.423 1
1 534 . 3 1 1 A 48 48 THR N N 48 119.900 116.934 2.966 1
1 535 . 3 1 1 A 49 49 PRO HA H 49 4.890 4.760 0.130 1
1 542 . 3 1 1 A 49 49 PRO C C 49 175.400 175.588 -0.188 1
1 543 . 3 1 1 A 49 49 PRO CA C 49 62.100 62.381 -0.281 1
1 544 . 3 1 1 A 49 49 PRO CB C 49 32.900 32.454 0.446 1
1 547 . 3 1 1 A 50 50 VAL H H 50 6.960 8.361 -1.401 1
1 548 . 3 1 1 A 50 50 VAL HA H 50 4.030 4.770 -0.740 1
1 556 . 3 1 1 A 50 50 VAL C C 50 173.800 174.631 -0.831 1
1 557 . 3 1 1 A 50 50 VAL CA C 50 61.400 60.347 1.053 1
1 558 . 3 1 1 A 50 50 VAL CB C 50 33.900 34.175 -0.275 1
1 561 . 3 1 1 A 50 50 VAL N N 50 119.400 120.180 -0.780 1
1 562 . 3 1 1 A 51 51 THR H H 51 8.940 8.768 0.172 1
1 563 . 3 1 1 A 51 51 THR HA H 51 4.460 4.845 -0.385 1
1 568 . 3 1 1 A 51 51 THR C C 51 172.300 174.156 -1.856 1
1 569 . 3 1 1 A 51 51 THR CA C 51 60.600 61.203 -0.603 1
1 570 . 3 1 1 A 51 51 THR CB C 51 71.000 70.851 0.149 1
1 571 . 3 1 1 A 51 51 THR N N 51 122.600 124.222 -1.622 1
1 572 . 3 1 1 A 52 52 ALA H H 52 8.150 8.557 -0.407 1
1 573 . 3 1 1 A 52 52 ALA HA H 52 3.940 3.929 0.011 1
1 577 . 3 1 1 A 52 52 ALA C C 52 179.100 178.152 0.948 1
1 578 . 3 1 1 A 52 52 ALA CA C 52 53.700 53.956 -0.256 1
1 579 . 3 1 1 A 52 52 ALA CB C 52 18.200 18.372 -0.172 1
1 580 . 3 1 1 A 52 52 ALA N N 52 125.400 129.133 -3.733 1
1 581 . 3 1 1 A 53 53 GLY H H 53 9.160 8.757 0.403 1
1 582 . 3 1 1 A 53 53 GLY HA2 H 53 3.670 4.022 -0.352 1
1 583 . 3 1 1 A 53 53 GLY HA3 H 53 4.310 4.026 0.284 1
1 584 . 3 1 1 A 53 53 GLY C C 53 174.900 174.222 0.678 1
1 585 . 3 1 1 A 53 53 GLY CA C 53 44.700 45.131 -0.431 1
1 586 . 3 1 1 A 53 53 GLY N N 53 111.000 111.469 -0.469 1
1 587 . 3 1 1 A 54 54 ASP H H 54 8.180 8.122 0.058 1
1 588 . 3 1 1 A 54 54 ASP HA H 54 4.700 4.640 0.060 1
1 591 . 3 1 1 A 54 54 ASP C C 54 174.600 175.113 -0.513 1
1 592 . 3 1 1 A 54 54 ASP CA C 54 56.100 54.206 1.894 1
1 593 . 3 1 1 A 54 54 ASP CB C 54 41.800 41.801 -0.001 1
1 594 . 3 1 1 A 54 54 ASP N N 54 122.700 120.972 1.728 1
1 595 . 3 1 1 A 55 55 GLU H H 55 8.160 8.555 -0.395 1
1 596 . 3 1 1 A 55 55 GLU HA H 55 4.730 4.721 0.009 1
1 601 . 3 1 1 A 55 55 GLU C C 55 175.000 175.111 -0.111 1
1 602 . 3 1 1 A 55 55 GLU CA C 55 55.100 55.539 -0.439 1
1 603 . 3 1 1 A 55 55 GLU CB C 55 30.500 31.180 -0.680 1
1 605 . 3 1 1 A 55 55 GLU N N 55 118.800 123.148 -4.348 1
1 606 . 3 1 1 A 56 56 ILE H H 56 9.320 8.872 0.448 1
1 607 . 3 1 1 A 56 56 ILE HA H 56 4.950 4.948 0.002 1
1 617 . 3 1 1 A 56 56 ILE C C 56 175.100 174.963 0.137 1
1 618 . 3 1 1 A 56 56 ILE CA C 56 59.800 60.031 -0.231 1
1 619 . 3 1 1 A 56 56 ILE CB C 56 40.200 40.782 -0.582 1
1 623 . 3 1 1 A 56 56 ILE N N 56 127.400 127.969 -0.569 1
1 624 . 3 1 1 A 57 57 GLU H H 57 9.170 8.690 0.480 1
1 625 . 3 1 1 A 57 57 GLU HA H 57 5.000 5.003 -0.003 1
1 630 . 3 1 1 A 57 57 GLU C C 57 174.100 175.219 -1.119 1
1 631 . 3 1 1 A 57 57 GLU CA C 57 54.400 54.582 -0.182 1
1 632 . 3 1 1 A 57 57 GLU CB C 57 32.900 33.097 -0.197 1
1 634 . 3 1 1 A 57 57 GLU N N 57 129.600 126.009 3.591 1
1 635 . 3 1 1 A 58 58 ILE H H 58 9.500 8.962 0.538 1
1 636 . 3 1 1 A 58 58 ILE HA H 58 4.610 4.709 -0.099 1
1 646 . 3 1 1 A 58 58 ILE C C 58 175.900 175.579 0.321 1
1 647 . 3 1 1 A 58 58 ILE CA C 58 59.900 59.535 0.365 1
1 648 . 3 1 1 A 58 58 ILE CB C 58 37.800 38.345 -0.545 1
1 652 . 3 1 1 A 58 58 ILE N N 58 126.500 124.557 1.943 1
1 653 . 3 1 1 A 59 59 LEU H H 59 9.150 8.760 0.390 1
1 654 . 3 1 1 A 59 59 LEU HA H 59 4.840 4.568 0.272 1
1 663 . 3 1 1 A 59 59 LEU C C 59 175.800 176.716 -0.916 1
1 664 . 3 1 1 A 59 59 LEU CA C 59 53.800 54.884 -1.084 1
1 665 . 3 1 1 A 59 59 LEU CB C 59 44.300 42.431 1.869 1
1 668 . 3 1 1 A 59 59 LEU N N 59 129.800 129.130 0.670 1
1 669 . 3 1 1 A 60 60 THR H H 60 8.470 8.549 -0.079 1
1 673 . 3 1 1 A 60 60 THR CA C 60 58.200 59.906 -1.706 1
1 674 . 3 1 1 A 60 60 THR CB C 60 69.900 69.570 0.330 1
1 676 . 3 1 1 A 60 60 THR N N 60 114.300 115.845 -1.545 1
1 677 . 3 1 1 A 61 61 PRO HA H 61 4.400 4.620 -0.220 1
1 680 . 3 1 1 A 61 61 PRO CA C 61 63.200 63.738 -0.538 1
1 681 . 3 1 1 A 61 61 PRO CB C 61 32.100 32.707 -0.607 1
1 682 . 3 1 1 A 62 62 ARG HA H 62 4.260 4.140 0.120 1
1 689 . 3 1 1 A 62 62 ARG C C 62 176.500 174.603 1.897 1
1 690 . 3 1 1 A 62 62 ARG CA C 62 56.500 56.991 -0.491 1
1 691 . 3 1 1 A 62 62 ARG CB C 62 30.500 29.616 0.884 1
1 694 . 3 1 1 A 63 63 GLN H H 63 8.500 8.493 0.007 1
1 695 . 3 1 1 A 63 63 GLN HA H 63 4.250 4.209 0.041 1
1 702 . 3 1 1 A 63 63 GLN C C 63 176.400 176.702 -0.302 1
1 703 . 3 1 1 A 63 63 GLN CA C 63 56.000 56.237 -0.237 1
1 704 . 3 1 1 A 63 63 GLN CB C 63 29.200 28.827 0.373 1
1 706 . 3 1 1 A 63 63 GLN N N 63 121.700 123.311 -1.611 1
1 708 . 3 1 1 A 64 64 GLY H H 64 8.330 8.482 -0.152 1
1 709 . 3 1 1 A 64 64 GLY HA2 H 64 3.940 4.040 -0.100 1
1 710 . 3 1 1 A 64 64 GLY HA3 H 64 3.940 4.041 -0.101 1
1 711 . 3 1 1 A 64 64 GLY C C 64 174.500 173.981 0.519 1
1 712 . 3 1 1 A 64 64 GLY CA C 64 45.300 45.161 0.139 1
1 713 . 3 1 1 A 64 64 GLY N N 64 110.100 111.613 -1.513 1
1 714 . 3 1 1 A 65 65 GLY H H 65 8.260 8.423 -0.163 1
1 715 . 3 1 1 A 65 65 GLY HA2 H 65 3.940 4.093 -0.153 1
1 716 . 3 1 1 A 65 65 GLY HA3 H 65 3.940 4.112 -0.172 1
1 717 . 3 1 1 A 65 65 GLY C C 65 174.200 172.697 1.503 1
1 718 . 3 1 1 A 65 65 GLY CA C 65 45.200 44.401 0.799 1
1 719 . 3 1 1 A 65 65 GLY N N 65 108.500 109.075 -0.575 1
1 720 . 3 1 1 A 66 66 LEU H H 66 8.200 8.151 0.049 1
1 721 . 3 1 1 A 66 66 LEU HA H 66 4.250 4.725 -0.475 1
1 730 . 3 1 1 A 66 66 LEU C C 66 177.400 175.782 1.618 1
1 731 . 3 1 1 A 66 66 LEU CA C 66 55.200 53.974 1.226 1
1 732 . 3 1 1 A 66 66 LEU CB C 66 42.300 43.327 -1.027 1
1 736 . 3 1 1 A 66 66 LEU N N 66 121.200 124.301 -3.101 1
1 737 . 3 1 1 A 67 67 GLU H H 67 8.460 8.830 -0.370 1
1 738 . 3 1 1 A 67 67 GLU HA H 67 4.170 4.335 -0.165 1
1 743 . 3 1 1 A 67 67 GLU CA C 67 56.500 56.776 -0.276 1
1 744 . 3 1 1 A 67 67 GLU CB C 67 30.000 29.984 0.016 1
1 2 . 4 1 1 A 2 2 LEU H H 2 8.810 7.551 1.259 1
1 3 . 4 1 1 A 2 2 LEU HA H 2 4.930 4.239 0.691 1
1 12 . 4 1 1 A 2 2 LEU C C 2 175.900 176.524 -0.624 1
1 13 . 4 1 1 A 2 2 LEU CA C 2 55.100 54.634 0.466 1
1 14 . 4 1 1 A 2 2 LEU CB C 2 42.600 42.427 0.173 1
1 17 . 4 1 1 A 2 2 LEU N N 2 127.000 119.176 7.824 1
1 18 . 4 1 1 A 3 3 VAL H H 3 8.670 8.733 -0.063 1
1 19 . 4 1 1 A 3 3 VAL HA H 3 4.580 4.978 -0.398 1
1 27 . 4 1 1 A 3 3 VAL C C 3 174.000 173.985 0.015 1
1 28 . 4 1 1 A 3 3 VAL CA C 3 59.400 59.007 0.393 1
1 29 . 4 1 1 A 3 3 VAL CB C 3 35.500 35.527 -0.027 1
1 32 . 4 1 1 A 3 3 VAL N N 3 119.900 118.731 1.169 1
1 33 . 4 1 1 A 4 4 THR H H 4 8.310 8.611 -0.301 1
1 34 . 4 1 1 A 4 4 THR HA H 4 4.850 4.888 -0.038 1
1 39 . 4 1 1 A 4 4 THR C C 4 173.600 173.963 -0.363 1
1 40 . 4 1 1 A 4 4 THR CA C 4 61.700 62.080 -0.380 1
1 41 . 4 1 1 A 4 4 THR CB C 4 69.500 69.572 -0.072 1
1 43 . 4 1 1 A 4 4 THR N N 4 116.000 117.823 -1.823 1
1 44 . 4 1 1 A 5 5 ILE H H 5 9.060 9.393 -0.333 1
1 45 . 4 1 1 A 5 5 ILE HA H 5 4.830 4.769 0.061 1
1 55 . 4 1 1 A 5 5 ILE C C 5 176.100 176.389 -0.289 1
1 56 . 4 1 1 A 5 5 ILE CA C 5 59.400 60.236 -0.836 1
1 57 . 4 1 1 A 5 5 ILE CB C 5 39.300 39.071 0.229 1
1 61 . 4 1 1 A 5 5 ILE N N 5 125.000 127.247 -2.247 1
1 62 . 4 1 1 A 6 6 ASN H H 6 9.480 9.364 0.116 1
1 63 . 4 1 1 A 6 6 ASN HA H 6 4.510 4.342 0.168 1
1 68 . 4 1 1 A 6 6 ASN C C 6 175.700 174.486 1.214 1
1 69 . 4 1 1 A 6 6 ASN CA C 6 54.100 54.241 -0.141 1
1 70 . 4 1 1 A 6 6 ASN CB C 6 36.100 37.540 -1.440 1
1 71 . 4 1 1 A 6 6 ASN N N 6 129.500 126.251 3.249 1
1 73 . 4 1 1 A 7 7 GLY H H 7 8.860 8.575 0.285 1
1 74 . 4 1 1 A 7 7 GLY HA2 H 7 3.560 3.850 -0.290 1
1 75 . 4 1 1 A 7 7 GLY HA3 H 7 4.180 3.856 0.324 1
1 76 . 4 1 1 A 7 7 GLY C C 7 173.500 173.766 -0.266 1
1 77 . 4 1 1 A 7 7 GLY CA C 7 45.300 45.414 -0.114 1
1 78 . 4 1 1 A 7 7 GLY N N 7 102.200 103.888 -1.688 1
1 79 . 4 1 1 A 8 8 GLU H H 8 7.790 7.944 -0.154 1
1 80 . 4 1 1 A 8 8 GLU HA H 8 4.690 4.684 0.006 1
1 85 . 4 1 1 A 8 8 GLU C C 8 175.300 175.092 0.208 1
1 86 . 4 1 1 A 8 8 GLU CA C 8 54.200 54.833 -0.633 1
1 87 . 4 1 1 A 8 8 GLU CB C 8 32.300 32.241 0.059 1
1 89 . 4 1 1 A 8 8 GLU N N 8 120.900 120.450 0.450 1
1 90 . 4 1 1 A 9 9 GLN H H 9 8.940 8.581 0.359 1
1 91 . 4 1 1 A 9 9 GLN HA H 9 4.770 4.863 -0.093 1
1 96 . 4 1 1 A 9 9 GLN C C 9 176.000 175.159 0.841 1
1 97 . 4 1 1 A 9 9 GLN CA C 9 56.900 55.941 0.959 1
1 98 . 4 1 1 A 9 9 GLN CB C 9 29.300 29.184 0.116 1
1 100 . 4 1 1 A 9 9 GLN N N 9 125.800 125.965 -0.165 1
1 101 . 4 1 1 A 10 10 ARG H H 10 9.230 8.616 0.614 1
1 102 . 4 1 1 A 10 10 ARG HA H 10 4.580 4.762 -0.182 1
1 110 . 4 1 1 A 10 10 ARG C C 10 173.300 173.836 -0.536 1
1 111 . 4 1 1 A 10 10 ARG CA C 10 54.400 54.976 -0.576 1
1 112 . 4 1 1 A 10 10 ARG CB C 10 34.400 34.424 -0.024 1
1 115 . 4 1 1 A 10 10 ARG N N 10 125.200 124.021 1.179 1
1 117 . 4 1 1 A 11 11 GLU H H 11 8.380 8.667 -0.287 1
1 118 . 4 1 1 A 11 11 GLU HA H 11 4.860 4.929 -0.069 1
1 123 . 4 1 1 A 11 11 GLU C C 11 176.900 175.973 0.927 1
1 124 . 4 1 1 A 11 11 GLU CA C 11 54.800 55.565 -0.765 1
1 125 . 4 1 1 A 11 11 GLU CB C 11 30.000 31.326 -1.326 1
1 127 . 4 1 1 A 11 11 GLU N N 11 123.300 126.236 -2.936 1
1 128 . 4 1 1 A 12 12 VAL H H 12 9.070 8.826 0.244 1
1 129 . 4 1 1 A 12 12 VAL HA H 12 4.870 4.845 0.025 1
1 137 . 4 1 1 A 12 12 VAL C C 12 175.200 175.206 -0.006 1
1 138 . 4 1 1 A 12 12 VAL CA C 12 58.600 58.800 -0.200 1
1 139 . 4 1 1 A 12 12 VAL CB C 12 34.400 35.474 -1.074 1
1 142 . 4 1 1 A 12 12 VAL N N 12 119.600 119.417 0.183 1
1 143 . 4 1 1 A 13 13 GLN H H 13 10.260 8.771 1.489 1
1 144 . 4 1 1 A 13 13 GLN HA H 13 4.550 4.522 0.028 1
1 149 . 4 1 1 A 13 13 GLN C C 13 177.700 175.472 2.228 1
1 150 . 4 1 1 A 13 13 GLN CA C 13 55.200 55.568 -0.368 1
1 151 . 4 1 1 A 13 13 GLN CB C 13 30.000 30.020 -0.020 1
1 152 . 4 1 1 A 13 13 GLN N N 13 120.900 120.425 0.475 1
1 153 . 4 1 1 A 14 14 SER H H 14 8.190 7.544 0.646 1
1 154 . 4 1 1 A 14 14 SER HA H 14 4.100 4.312 -0.212 1
1 157 . 4 1 1 A 14 14 SER C C 14 171.700 174.255 -2.555 1
1 158 . 4 1 1 A 14 14 SER CA C 14 61.000 59.551 1.449 1
1 159 . 4 1 1 A 14 14 SER CB C 14 65.300 63.743 1.557 1
1 160 . 4 1 1 A 14 14 SER N N 14 118.500 116.674 1.826 1
1 161 . 4 1 1 A 15 15 ALA H H 15 8.320 8.700 -0.380 1
1 162 . 4 1 1 A 15 15 ALA HA H 15 4.610 4.468 0.142 1
1 166 . 4 1 1 A 15 15 ALA C C 15 177.900 176.826 1.074 1
1 167 . 4 1 1 A 15 15 ALA CA C 15 51.200 52.516 -1.316 1
1 168 . 4 1 1 A 15 15 ALA CB C 15 20.100 19.944 0.156 1
1 169 . 4 1 1 A 15 15 ALA N N 15 118.500 125.681 -7.181 1
1 170 . 4 1 1 A 16 16 SER H H 16 7.480 7.459 0.021 1
1 171 . 4 1 1 A 16 16 SER HA H 16 5.390 4.703 0.687 1
1 174 . 4 1 1 A 16 16 SER C C 16 174.600 174.329 0.271 1
1 175 . 4 1 1 A 16 16 SER CA C 16 55.600 56.695 -1.095 1
1 176 . 4 1 1 A 16 16 SER CB C 16 67.400 65.782 1.618 1
1 177 . 4 1 1 A 16 16 SER N N 16 112.400 109.236 3.164 1
1 178 . 4 1 1 A 17 17 VAL H H 17 8.810 8.462 0.348 1
1 179 . 4 1 1 A 17 17 VAL HA H 17 3.120 3.579 -0.459 1
1 187 . 4 1 1 A 17 17 VAL C C 17 176.500 177.332 -0.832 1
1 188 . 4 1 1 A 17 17 VAL CA C 17 66.900 66.356 0.544 1
1 189 . 4 1 1 A 17 17 VAL CB C 17 31.300 31.615 -0.315 1
1 192 . 4 1 1 A 17 17 VAL N N 17 122.400 121.751 0.649 1
1 193 . 4 1 1 A 18 18 ALA H H 18 7.460 8.654 -1.194 1
1 194 . 4 1 1 A 18 18 ALA HA H 18 4.000 4.006 -0.006 1
1 198 . 4 1 1 A 18 18 ALA C C 18 179.600 179.502 0.098 1
1 199 . 4 1 1 A 18 18 ALA CA C 18 55.300 55.777 -0.477 1
1 200 . 4 1 1 A 18 18 ALA CB C 18 18.800 18.023 0.777 1
1 201 . 4 1 1 A 18 18 ALA N N 18 119.300 122.152 -2.852 1
1 202 . 4 1 1 A 19 19 ALA H H 19 7.620 7.484 0.136 1
1 203 . 4 1 1 A 19 19 ALA HA H 19 4.130 4.163 -0.033 1
1 207 . 4 1 1 A 19 19 ALA C C 19 179.500 180.172 -0.672 1
1 208 . 4 1 1 A 19 19 ALA CA C 19 55.000 55.137 -0.137 1
1 209 . 4 1 1 A 19 19 ALA CB C 19 17.400 17.928 -0.528 1
1 210 . 4 1 1 A 19 19 ALA N N 19 120.000 121.016 -1.016 1
1 211 . 4 1 1 A 20 20 LEU H H 20 8.260 8.161 0.099 1
1 212 . 4 1 1 A 20 20 LEU HA H 20 4.120 4.302 -0.182 1
1 221 . 4 1 1 A 20 20 LEU C C 20 177.700 178.630 -0.930 1
1 222 . 4 1 1 A 20 20 LEU CA C 20 57.500 57.885 -0.385 1
1 223 . 4 1 1 A 20 20 LEU CB C 20 42.000 41.633 0.367 1
1 226 . 4 1 1 A 20 20 LEU N N 20 121.900 120.002 1.898 1
1 227 . 4 1 1 A 21 21 MET H H 21 8.020 8.219 -0.199 1
1 228 . 4 1 1 A 21 21 MET HA H 21 4.130 4.089 0.041 1
1 230 . 4 1 1 A 21 21 MET C C 21 179.300 178.998 0.302 1
1 231 . 4 1 1 A 21 21 MET CA C 21 57.000 58.658 -1.658 1
1 232 . 4 1 1 A 21 21 MET CB C 21 30.300 32.490 -2.190 1
1 233 . 4 1 1 A 21 21 MET N N 21 115.800 116.976 -1.176 1
1 234 . 4 1 1 A 22 22 THR H H 22 7.380 7.916 -0.536 1
1 235 . 4 1 1 A 22 22 THR HA H 22 3.950 3.910 0.040 1
1 240 . 4 1 1 A 22 22 THR C C 22 177.300 176.909 0.391 1
1 241 . 4 1 1 A 22 22 THR CA C 22 66.600 67.238 -0.638 1
1 242 . 4 1 1 A 22 22 THR CB C 22 68.200 68.464 -0.264 1
1 244 . 4 1 1 A 22 22 THR N N 22 116.500 116.224 0.276 1
1 245 . 4 1 1 A 23 23 GLU H H 23 8.650 8.096 0.554 1
1 246 . 4 1 1 A 23 23 GLU HA H 23 3.960 3.986 -0.026 1
1 251 . 4 1 1 A 23 23 GLU C C 23 177.900 178.275 -0.375 1
1 252 . 4 1 1 A 23 23 GLU CA C 23 59.500 59.280 0.220 1
1 253 . 4 1 1 A 23 23 GLU CB C 23 29.600 29.276 0.324 1
1 255 . 4 1 1 A 23 23 GLU N N 23 128.000 120.473 7.527 1
1 256 . 4 1 1 A 24 24 LEU H H 24 8.140 7.581 0.559 1
1 257 . 4 1 1 A 24 24 LEU HA H 24 4.200 4.253 -0.053 1
1 266 . 4 1 1 A 24 24 LEU C C 24 175.800 175.863 -0.063 1
1 267 . 4 1 1 A 24 24 LEU CA C 24 54.200 54.898 -0.698 1
1 268 . 4 1 1 A 24 24 LEU CB C 24 41.900 41.779 0.121 1
1 271 . 4 1 1 A 24 24 LEU N N 24 115.900 118.103 -2.203 1
1 272 . 4 1 1 A 25 25 ASP H H 25 7.980 8.083 -0.103 1
1 273 . 4 1 1 A 25 25 ASP HA H 25 4.440 4.318 0.122 1
1 276 . 4 1 1 A 25 25 ASP C C 25 175.800 176.572 -0.772 1
1 277 . 4 1 1 A 25 25 ASP CA C 25 55.200 55.332 -0.132 1
1 278 . 4 1 1 A 25 25 ASP CB C 25 39.400 40.204 -0.804 1
1 279 . 4 1 1 A 25 25 ASP N N 25 118.400 118.164 0.236 1
1 280 . 4 1 1 A 26 26 CYS H H 26 8.510 8.283 0.227 1
1 281 . 4 1 1 A 26 26 CYS HA H 26 4.460 4.308 0.152 1
1 284 . 4 1 1 A 26 26 CYS C C 26 174.300 175.068 -0.768 1
1 285 . 4 1 1 A 26 26 CYS CA C 26 58.500 58.870 -0.370 1
1 286 . 4 1 1 A 26 26 CYS CB C 26 27.100 27.978 -0.878 1
1 287 . 4 1 1 A 26 26 CYS N N 26 117.000 118.456 -1.456 1
1 288 . 4 1 1 A 27 27 THR H H 27 7.810 7.575 0.235 1
1 289 . 4 1 1 A 27 27 THR HA H 27 4.450 4.296 0.154 1
1 291 . 4 1 1 A 27 27 THR CA C 27 62.200 64.801 -2.601 1
1 292 . 4 1 1 A 27 27 THR CB C 27 69.400 69.108 0.292 1
1 293 . 4 1 1 A 27 27 THR N N 27 107.800 115.176 -7.376 1
1 294 . 4 1 1 A 29 29 GLY H H 29 8.440 8.472 -0.032 1
1 295 . 4 1 1 A 29 29 GLY HA2 H 29 3.890 3.771 0.119 1
1 296 . 4 1 1 A 29 29 GLY HA3 H 29 3.970 3.820 0.150 1
1 297 . 4 1 1 A 29 29 GLY C C 29 173.800 175.230 -1.430 1
1 298 . 4 1 1 A 29 29 GLY CA C 29 45.800 45.492 0.308 1
1 299 . 4 1 1 A 29 29 GLY N N 29 108.100 109.181 -1.081 1
1 300 . 4 1 1 A 30 30 HIS H H 30 8.210 8.083 0.127 1
1 301 . 4 1 1 A 30 30 HIS HA H 30 4.650 4.463 0.187 1
1 305 . 4 1 1 A 30 30 HIS C C 30 173.500 174.710 -1.210 1
1 306 . 4 1 1 A 30 30 HIS CA C 30 55.600 57.042 -1.442 1
1 307 . 4 1 1 A 30 30 HIS CB C 30 28.700 29.483 -0.783 1
1 309 . 4 1 1 A 30 30 HIS N N 30 117.300 117.340 -0.040 1
1 310 . 4 1 1 A 31 31 PHE H H 31 7.520 7.986 -0.466 1
1 311 . 4 1 1 A 31 31 PHE HA H 31 5.050 4.930 0.120 1
1 316 . 4 1 1 A 31 31 PHE C C 31 175.200 175.774 -0.574 1
1 317 . 4 1 1 A 31 31 PHE CA C 31 58.000 57.282 0.718 1
1 318 . 4 1 1 A 31 31 PHE CB C 31 41.200 41.260 -0.060 1
1 321 . 4 1 1 A 31 31 PHE N N 31 117.000 118.344 -1.344 1
1 322 . 4 1 1 A 32 32 ALA H H 32 9.010 9.120 -0.110 1
1 323 . 4 1 1 A 32 32 ALA HA H 32 5.010 5.750 -0.740 1
1 327 . 4 1 1 A 32 32 ALA C C 32 174.800 176.412 -1.612 1
1 328 . 4 1 1 A 32 32 ALA CA C 32 50.400 50.168 0.232 1
1 329 . 4 1 1 A 32 32 ALA CB C 32 22.500 23.057 -0.557 1
1 330 . 4 1 1 A 32 32 ALA N N 32 123.800 123.784 0.016 1
1 331 . 4 1 1 A 33 33 VAL H H 33 9.350 8.999 0.351 1
1 332 . 4 1 1 A 33 33 VAL HA H 33 5.130 5.059 0.071 1
1 340 . 4 1 1 A 33 33 VAL C C 33 172.400 174.446 -2.046 1
1 341 . 4 1 1 A 33 33 VAL CA C 33 59.700 59.150 0.550 1
1 342 . 4 1 1 A 33 33 VAL CB C 33 35.000 35.593 -0.593 1
1 345 . 4 1 1 A 33 33 VAL N N 33 120.200 113.800 6.400 1
1 346 . 4 1 1 A 34 34 ALA H H 34 9.100 8.647 0.453 1
1 347 . 4 1 1 A 34 34 ALA HA H 34 5.130 5.438 -0.308 1
1 351 . 4 1 1 A 34 34 ALA C C 34 174.900 174.811 0.089 1
1 352 . 4 1 1 A 34 34 ALA CA C 34 49.600 50.571 -0.971 1
1 353 . 4 1 1 A 34 34 ALA CB C 34 21.200 22.713 -1.513 1
1 354 . 4 1 1 A 34 34 ALA N N 34 127.800 124.062 3.738 1
1 355 . 4 1 1 A 35 35 LEU H H 35 8.680 9.256 -0.576 1
1 356 . 4 1 1 A 35 35 LEU HA H 35 4.750 4.727 0.023 1
1 366 . 4 1 1 A 35 35 LEU C C 35 175.700 175.679 0.021 1
1 367 . 4 1 1 A 35 35 LEU CA C 35 53.200 53.436 -0.236 1
1 368 . 4 1 1 A 35 35 LEU CB C 35 45.600 44.605 0.995 1
1 372 . 4 1 1 A 35 35 LEU N N 35 125.000 124.448 0.552 1
1 373 . 4 1 1 A 36 36 ASN H H 36 9.960 9.452 0.508 1
1 374 . 4 1 1 A 36 36 ASN HA H 36 3.890 4.300 -0.410 1
1 379 . 4 1 1 A 36 36 ASN C C 36 174.500 174.349 0.151 1
1 380 . 4 1 1 A 36 36 ASN CA C 36 54.900 54.571 0.329 1
1 381 . 4 1 1 A 36 36 ASN CB C 36 36.800 36.861 -0.061 1
1 382 . 4 1 1 A 36 36 ASN N N 36 127.300 126.554 0.746 1
1 384 . 4 1 1 A 37 37 TYR H H 37 8.750 8.046 0.704 1
1 385 . 4 1 1 A 37 37 TYR HA H 37 3.720 4.143 -0.423 1
1 392 . 4 1 1 A 37 37 TYR C C 37 174.100 173.746 0.354 1
1 393 . 4 1 1 A 37 37 TYR CA C 37 59.900 58.773 1.127 1
1 394 . 4 1 1 A 37 37 TYR CB C 37 35.300 35.523 -0.223 1
1 399 . 4 1 1 A 37 37 TYR N N 37 107.500 110.373 -2.873 1
1 400 . 4 1 1 A 38 38 ASP H H 38 7.590 7.798 -0.208 1
1 401 . 4 1 1 A 38 38 ASP HA H 38 5.090 4.970 0.120 1
1 404 . 4 1 1 A 38 38 ASP C C 38 175.400 174.703 0.697 1
1 405 . 4 1 1 A 38 38 ASP CA C 38 53.100 53.797 -0.697 1
1 406 . 4 1 1 A 38 38 ASP CB C 38 42.900 43.032 -0.132 1
1 407 . 4 1 1 A 38 38 ASP N N 38 119.900 118.541 1.359 1
1 408 . 4 1 1 A 39 39 VAL H H 39 8.590 8.877 -0.287 1
1 409 . 4 1 1 A 39 39 VAL HA H 39 4.220 4.482 -0.262 1
1 417 . 4 1 1 A 39 39 VAL C C 39 176.600 175.375 1.225 1
1 418 . 4 1 1 A 39 39 VAL CA C 39 63.600 63.038 0.562 1
1 419 . 4 1 1 A 39 39 VAL CB C 39 31.700 32.129 -0.429 1
1 422 . 4 1 1 A 39 39 VAL N N 39 124.300 126.877 -2.577 1
1 423 . 4 1 1 A 40 40 VAL H H 40 8.970 8.672 0.298 1
1 424 . 4 1 1 A 40 40 VAL HA H 40 4.600 4.616 -0.016 1
1 432 . 4 1 1 A 40 40 VAL CA C 40 59.100 58.747 0.353 1
1 433 . 4 1 1 A 40 40 VAL CB C 40 32.500 33.874 -1.374 1
1 436 . 4 1 1 A 40 40 VAL N N 40 130.800 127.020 3.780 1
1 437 . 4 1 1 A 41 41 PRO HA H 41 4.580 4.749 -0.169 1
1 444 . 4 1 1 A 41 41 PRO C C 41 177.700 177.849 -0.149 1
1 445 . 4 1 1 A 41 41 PRO CA C 41 62.800 62.680 0.120 1
1 446 . 4 1 1 A 41 41 PRO CB C 41 32.300 32.621 -0.321 1
1 449 . 4 1 1 A 42 42 ARG H H 42 8.640 8.252 0.388 1
1 450 . 4 1 1 A 42 42 ARG HA H 42 1.890 1.859 0.031 1
1 458 . 4 1 1 A 42 42 ARG C C 42 178.800 176.318 2.482 1
1 459 . 4 1 1 A 42 42 ARG CA C 42 58.100 57.161 0.939 1
1 460 . 4 1 1 A 42 42 ARG CB C 42 29.600 28.699 0.901 1
1 462 . 4 1 1 A 42 42 ARG N N 42 124.000 122.451 1.549 1
1 464 . 4 1 1 A 43 43 GLY H H 43 8.690 7.942 0.748 1
1 465 . 4 1 1 A 43 43 GLY HA2 H 43 3.770 3.868 -0.098 1
1 466 . 4 1 1 A 43 43 GLY HA3 H 43 3.870 3.900 -0.030 1
1 467 . 4 1 1 A 43 43 GLY C C 43 174.600 174.430 0.170 1
1 468 . 4 1 1 A 43 43 GLY CA C 43 45.800 45.451 0.349 1
1 469 . 4 1 1 A 43 43 GLY N N 43 106.000 108.485 -2.485 1
1 470 . 4 1 1 A 44 44 LYS H H 44 8.260 8.303 -0.043 1
1 471 . 4 1 1 A 44 44 LYS HA H 44 4.840 4.571 0.269 1
1 480 . 4 1 1 A 44 44 LYS C C 44 179.200 177.123 2.077 1
1 481 . 4 1 1 A 44 44 LYS CA C 44 54.500 55.761 -1.261 1
1 482 . 4 1 1 A 44 44 LYS CB C 44 32.900 32.789 0.111 1
1 486 . 4 1 1 A 44 44 LYS N N 44 115.900 117.817 -1.917 1
1 487 . 4 1 1 A 45 45 TRP H H 45 8.120 7.738 0.382 1
1 488 . 4 1 1 A 45 45 TRP HA H 45 4.350 4.405 -0.055 1
1 497 . 4 1 1 A 45 45 TRP C C 45 178.400 178.890 -0.490 1
1 498 . 4 1 1 A 45 45 TRP CA C 45 60.500 59.938 0.562 1
1 499 . 4 1 1 A 45 45 TRP CB C 45 28.500 29.065 -0.565 1
1 505 . 4 1 1 A 45 45 TRP N N 45 124.800 120.833 3.967 1
1 507 . 4 1 1 A 46 46 ASP H H 46 8.950 8.961 -0.011 1
1 508 . 4 1 1 A 46 46 ASP HA H 46 4.460 4.402 0.058 1
1 511 . 4 1 1 A 46 46 ASP C C 46 176.800 177.725 -0.925 1
1 512 . 4 1 1 A 46 46 ASP CA C 46 56.900 56.768 0.132 1
1 513 . 4 1 1 A 46 46 ASP CB C 46 40.400 39.747 0.653 1
1 514 . 4 1 1 A 46 46 ASP N N 46 117.400 119.938 -2.538 1
1 515 . 4 1 1 A 47 47 GLU H H 47 7.530 7.894 -0.364 1
1 516 . 4 1 1 A 47 47 GLU HA H 47 4.580 4.386 0.194 1
1 521 . 4 1 1 A 47 47 GLU C C 47 175.500 174.956 0.544 1
1 522 . 4 1 1 A 47 47 GLU CA C 47 55.300 56.662 -1.362 1
1 523 . 4 1 1 A 47 47 GLU CB C 47 30.800 30.279 0.521 1
1 525 . 4 1 1 A 47 47 GLU N N 47 114.500 116.932 -2.432 1
1 526 . 4 1 1 A 48 48 THR H H 48 7.230 7.226 0.004 1
1 527 . 4 1 1 A 48 48 THR HA H 48 4.700 4.792 -0.092 1
1 532 . 4 1 1 A 48 48 THR CA C 48 60.800 58.947 1.853 1
1 533 . 4 1 1 A 48 48 THR CB C 48 70.100 70.146 -0.046 1
1 534 . 4 1 1 A 48 48 THR N N 48 119.900 115.436 4.464 1
1 535 . 4 1 1 A 49 49 PRO HA H 49 4.890 4.584 0.306 1
1 542 . 4 1 1 A 49 49 PRO C C 49 175.400 176.340 -0.940 1
1 543 . 4 1 1 A 49 49 PRO CA C 49 62.100 62.847 -0.747 1
1 544 . 4 1 1 A 49 49 PRO CB C 49 32.900 32.050 0.850 1
1 547 . 4 1 1 A 50 50 VAL H H 50 6.960 8.526 -1.566 1
1 548 . 4 1 1 A 50 50 VAL HA H 50 4.030 4.307 -0.277 1
1 556 . 4 1 1 A 50 50 VAL C C 50 173.800 175.310 -1.510 1
1 557 . 4 1 1 A 50 50 VAL CA C 50 61.400 62.129 -0.729 1
1 558 . 4 1 1 A 50 50 VAL CB C 50 33.900 32.246 1.654 1
1 561 . 4 1 1 A 50 50 VAL N N 50 119.400 123.007 -3.607 1
1 562 . 4 1 1 A 51 51 THR H H 51 8.940 9.158 -0.218 1
1 563 . 4 1 1 A 51 51 THR HA H 51 4.460 4.750 -0.290 1
1 568 . 4 1 1 A 51 51 THR C C 51 172.300 173.647 -1.347 1
1 569 . 4 1 1 A 51 51 THR CA C 51 60.600 61.282 -0.682 1
1 570 . 4 1 1 A 51 51 THR CB C 51 71.000 71.082 -0.082 1
1 571 . 4 1 1 A 51 51 THR N N 51 122.600 123.573 -0.973 1
1 572 . 4 1 1 A 52 52 ALA H H 52 8.150 8.610 -0.460 1
1 573 . 4 1 1 A 52 52 ALA HA H 52 3.940 3.905 0.035 1
1 577 . 4 1 1 A 52 52 ALA C C 52 179.100 178.160 0.940 1
1 578 . 4 1 1 A 52 52 ALA CA C 52 53.700 53.734 -0.034 1
1 579 . 4 1 1 A 52 52 ALA CB C 52 18.200 18.434 -0.234 1
1 580 . 4 1 1 A 52 52 ALA N N 52 125.400 129.010 -3.610 1
1 581 . 4 1 1 A 53 53 GLY H H 53 9.160 8.948 0.212 1
1 582 . 4 1 1 A 53 53 GLY HA2 H 53 3.670 4.005 -0.335 1
1 583 . 4 1 1 A 53 53 GLY HA3 H 53 4.310 4.008 0.302 1
1 584 . 4 1 1 A 53 53 GLY C C 53 174.900 174.036 0.864 1
1 585 . 4 1 1 A 53 53 GLY CA C 53 44.700 44.963 -0.263 1
1 586 . 4 1 1 A 53 53 GLY N N 53 111.000 110.347 0.653 1
1 587 . 4 1 1 A 54 54 ASP H H 54 8.180 7.710 0.470 1
1 588 . 4 1 1 A 54 54 ASP HA H 54 4.700 4.575 0.125 1
1 591 . 4 1 1 A 54 54 ASP C C 54 174.600 175.813 -1.213 1
1 592 . 4 1 1 A 54 54 ASP CA C 54 56.100 54.283 1.817 1
1 593 . 4 1 1 A 54 54 ASP CB C 54 41.800 41.762 0.038 1
1 594 . 4 1 1 A 54 54 ASP N N 54 122.700 122.112 0.588 1
1 595 . 4 1 1 A 55 55 GLU H H 55 8.160 8.313 -0.153 1
1 596 . 4 1 1 A 55 55 GLU HA H 55 4.730 4.591 0.139 1
1 601 . 4 1 1 A 55 55 GLU C C 55 175.000 175.868 -0.868 1
1 602 . 4 1 1 A 55 55 GLU CA C 55 55.100 56.166 -1.066 1
1 603 . 4 1 1 A 55 55 GLU CB C 55 30.500 30.254 0.246 1
1 605 . 4 1 1 A 55 55 GLU N N 55 118.800 123.476 -4.676 1
1 606 . 4 1 1 A 56 56 ILE H H 56 9.320 9.061 0.259 1
1 607 . 4 1 1 A 56 56 ILE HA H 56 4.950 4.952 -0.002 1
1 617 . 4 1 1 A 56 56 ILE C C 56 175.100 175.038 0.062 1
1 618 . 4 1 1 A 56 56 ILE CA C 56 59.800 59.730 0.070 1
1 619 . 4 1 1 A 56 56 ILE CB C 56 40.200 40.617 -0.417 1
1 623 . 4 1 1 A 56 56 ILE N N 56 127.400 125.603 1.797 1
1 624 . 4 1 1 A 57 57 GLU H H 57 9.170 8.668 0.502 1
1 625 . 4 1 1 A 57 57 GLU HA H 57 5.000 5.114 -0.114 1
1 630 . 4 1 1 A 57 57 GLU C C 57 174.100 175.064 -0.964 1
1 631 . 4 1 1 A 57 57 GLU CA C 57 54.400 54.524 -0.124 1
1 632 . 4 1 1 A 57 57 GLU CB C 57 32.900 33.174 -0.274 1
1 634 . 4 1 1 A 57 57 GLU N N 57 129.600 125.337 4.263 1
1 635 . 4 1 1 A 58 58 ILE H H 58 9.500 8.957 0.543 1
1 636 . 4 1 1 A 58 58 ILE HA H 58 4.610 4.672 -0.062 1
1 646 . 4 1 1 A 58 58 ILE C C 58 175.900 174.898 1.002 1
1 647 . 4 1 1 A 58 58 ILE CA C 58 59.900 59.384 0.516 1
1 648 . 4 1 1 A 58 58 ILE CB C 58 37.800 39.194 -1.394 1
1 652 . 4 1 1 A 58 58 ILE N N 58 126.500 124.539 1.961 1
1 653 . 4 1 1 A 59 59 LEU H H 59 9.150 8.690 0.460 1
1 654 . 4 1 1 A 59 59 LEU HA H 59 4.840 4.913 -0.073 1
1 663 . 4 1 1 A 59 59 LEU C C 59 175.800 176.534 -0.734 1
1 664 . 4 1 1 A 59 59 LEU CA C 59 53.800 54.026 -0.226 1
1 665 . 4 1 1 A 59 59 LEU CB C 59 44.300 43.597 0.703 1
1 668 . 4 1 1 A 59 59 LEU N N 59 129.800 127.957 1.843 1
1 669 . 4 1 1 A 60 60 THR H H 60 8.470 8.736 -0.266 1
1 673 . 4 1 1 A 60 60 THR CA C 60 58.200 58.554 -0.354 1
1 674 . 4 1 1 A 60 60 THR CB C 60 69.900 69.705 0.195 1
1 676 . 4 1 1 A 60 60 THR N N 60 114.300 116.053 -1.753 1
1 677 . 4 1 1 A 61 61 PRO HA H 61 4.400 4.430 -0.030 1
1 680 . 4 1 1 A 61 61 PRO CA C 61 63.200 63.319 -0.119 1
1 681 . 4 1 1 A 61 61 PRO CB C 61 32.100 31.944 0.156 1
1 682 . 4 1 1 A 62 62 ARG HA H 62 4.260 4.645 -0.385 1
1 689 . 4 1 1 A 62 62 ARG C C 62 176.500 176.144 0.356 1
1 690 . 4 1 1 A 62 62 ARG CA C 62 56.500 55.777 0.723 1
1 691 . 4 1 1 A 62 62 ARG CB C 62 30.500 31.855 -1.355 1
1 694 . 4 1 1 A 63 63 GLN H H 63 8.500 8.676 -0.176 1
1 695 . 4 1 1 A 63 63 GLN HA H 63 4.250 4.593 -0.343 1
1 702 . 4 1 1 A 63 63 GLN C C 63 176.400 176.055 0.345 1
1 703 . 4 1 1 A 63 63 GLN CA C 63 56.000 56.200 -0.200 1
1 704 . 4 1 1 A 63 63 GLN CB C 63 29.200 29.764 -0.564 1
1 706 . 4 1 1 A 63 63 GLN N N 63 121.700 123.229 -1.529 1
1 708 . 4 1 1 A 64 64 GLY H H 64 8.330 8.360 -0.030 1
1 709 . 4 1 1 A 64 64 GLY HA2 H 64 3.940 4.267 -0.327 1
1 710 . 4 1 1 A 64 64 GLY HA3 H 64 3.940 4.268 -0.328 1
1 711 . 4 1 1 A 64 64 GLY C C 64 174.500 172.366 2.134 1
1 712 . 4 1 1 A 64 64 GLY CA C 64 45.300 46.222 -0.922 1
1 713 . 4 1 1 A 64 64 GLY N N 64 110.100 109.755 0.345 1
1 714 . 4 1 1 A 65 65 GLY H H 65 8.260 8.033 0.227 1
1 715 . 4 1 1 A 65 65 GLY HA2 H 65 3.940 4.079 -0.139 1
1 716 . 4 1 1 A 65 65 GLY HA3 H 65 3.940 4.080 -0.140 1
1 717 . 4 1 1 A 65 65 GLY C C 65 174.200 171.948 2.252 1
1 718 . 4 1 1 A 65 65 GLY CA C 65 45.200 45.934 -0.734 1
1 719 . 4 1 1 A 65 65 GLY N N 65 108.500 107.875 0.625 1
1 720 . 4 1 1 A 66 66 LEU H H 66 8.200 8.566 -0.366 1
1 721 . 4 1 1 A 66 66 LEU HA H 66 4.250 4.814 -0.564 1
1 730 . 4 1 1 A 66 66 LEU C C 66 177.400 177.029 0.371 1
1 731 . 4 1 1 A 66 66 LEU CA C 66 55.200 54.241 0.959 1
1 732 . 4 1 1 A 66 66 LEU CB C 66 42.300 43.760 -1.460 1
1 736 . 4 1 1 A 66 66 LEU N N 66 121.200 124.625 -3.425 1
1 737 . 4 1 1 A 67 67 GLU H H 67 8.460 8.445 0.015 1
1 738 . 4 1 1 A 67 67 GLU HA H 67 4.170 4.272 -0.102 1
1 743 . 4 1 1 A 67 67 GLU CA C 67 56.500 57.347 -0.847 1
1 744 . 4 1 1 A 67 67 GLU CB C 67 30.000 29.861 0.139 1
1 2 . 5 1 1 A 2 2 LEU H H 2 8.810 7.505 1.305 1
1 3 . 5 1 1 A 2 2 LEU HA H 2 4.930 4.235 0.695 1
1 12 . 5 1 1 A 2 2 LEU C C 2 175.900 176.110 -0.210 1
1 13 . 5 1 1 A 2 2 LEU CA C 2 55.100 54.818 0.282 1
1 14 . 5 1 1 A 2 2 LEU CB C 2 42.600 42.623 -0.023 1
1 17 . 5 1 1 A 2 2 LEU N N 2 127.000 120.305 6.695 1
1 18 . 5 1 1 A 3 3 VAL H H 3 8.670 9.139 -0.469 1
1 19 . 5 1 1 A 3 3 VAL HA H 3 4.580 4.851 -0.271 1
1 27 . 5 1 1 A 3 3 VAL C C 3 174.000 174.443 -0.443 1
1 28 . 5 1 1 A 3 3 VAL CA C 3 59.400 59.715 -0.315 1
1 29 . 5 1 1 A 3 3 VAL CB C 3 35.500 34.654 0.846 1
1 32 . 5 1 1 A 3 3 VAL N N 3 119.900 119.508 0.392 1
1 33 . 5 1 1 A 4 4 THR H H 4 8.310 8.777 -0.467 1
1 34 . 5 1 1 A 4 4 THR HA H 4 4.850 4.543 0.307 1
1 39 . 5 1 1 A 4 4 THR C C 4 173.600 174.036 -0.436 1
1 40 . 5 1 1 A 4 4 THR CA C 4 61.700 62.342 -0.642 1
1 41 . 5 1 1 A 4 4 THR CB C 4 69.500 68.768 0.732 1
1 43 . 5 1 1 A 4 4 THR N N 4 116.000 120.990 -4.990 1
1 44 . 5 1 1 A 5 5 ILE H H 5 9.060 9.431 -0.371 1
1 45 . 5 1 1 A 5 5 ILE HA H 5 4.830 4.784 0.046 1
1 55 . 5 1 1 A 5 5 ILE C C 5 176.100 176.421 -0.321 1
1 56 . 5 1 1 A 5 5 ILE CA C 5 59.400 60.256 -0.856 1
1 57 . 5 1 1 A 5 5 ILE CB C 5 39.300 39.126 0.174 1
1 61 . 5 1 1 A 5 5 ILE N N 5 125.000 127.459 -2.459 1
1 62 . 5 1 1 A 6 6 ASN H H 6 9.480 9.225 0.255 1
1 63 . 5 1 1 A 6 6 ASN HA H 6 4.510 4.355 0.155 1
1 68 . 5 1 1 A 6 6 ASN C C 6 175.700 174.592 1.108 1
1 69 . 5 1 1 A 6 6 ASN CA C 6 54.100 54.251 -0.151 1
1 70 . 5 1 1 A 6 6 ASN CB C 6 36.100 37.423 -1.323 1
1 71 . 5 1 1 A 6 6 ASN N N 6 129.500 126.211 3.289 1
1 73 . 5 1 1 A 7 7 GLY H H 7 8.860 8.641 0.219 1
1 74 . 5 1 1 A 7 7 GLY HA2 H 7 3.560 3.864 -0.304 1
1 75 . 5 1 1 A 7 7 GLY HA3 H 7 4.180 3.866 0.314 1
1 76 . 5 1 1 A 7 7 GLY C C 7 173.500 173.862 -0.362 1
1 77 . 5 1 1 A 7 7 GLY CA C 7 45.300 45.441 -0.141 1
1 78 . 5 1 1 A 7 7 GLY N N 7 102.200 103.599 -1.399 1
1 79 . 5 1 1 A 8 8 GLU H H 8 7.790 7.979 -0.189 1
1 80 . 5 1 1 A 8 8 GLU HA H 8 4.690 4.723 -0.033 1
1 85 . 5 1 1 A 8 8 GLU C C 8 175.300 175.048 0.252 1
1 86 . 5 1 1 A 8 8 GLU CA C 8 54.200 54.873 -0.673 1
1 87 . 5 1 1 A 8 8 GLU CB C 8 32.300 32.190 0.110 1
1 89 . 5 1 1 A 8 8 GLU N N 8 120.900 120.257 0.643 1
1 90 . 5 1 1 A 9 9 GLN H H 9 8.940 8.591 0.349 1
1 91 . 5 1 1 A 9 9 GLN HA H 9 4.770 4.786 -0.016 1
1 96 . 5 1 1 A 9 9 GLN C C 9 176.000 175.238 0.762 1
1 97 . 5 1 1 A 9 9 GLN CA C 9 56.900 55.955 0.945 1
1 98 . 5 1 1 A 9 9 GLN CB C 9 29.300 29.135 0.165 1
1 100 . 5 1 1 A 9 9 GLN N N 9 125.800 126.014 -0.214 1
1 101 . 5 1 1 A 10 10 ARG H H 10 9.230 8.639 0.591 1
1 102 . 5 1 1 A 10 10 ARG HA H 10 4.580 4.782 -0.202 1
1 110 . 5 1 1 A 10 10 ARG C C 10 173.300 173.654 -0.354 1
1 111 . 5 1 1 A 10 10 ARG CA C 10 54.400 54.809 -0.409 1
1 112 . 5 1 1 A 10 10 ARG CB C 10 34.400 34.527 -0.127 1
1 115 . 5 1 1 A 10 10 ARG N N 10 125.200 123.907 1.293 1
1 117 . 5 1 1 A 11 11 GLU H H 11 8.380 8.834 -0.454 1
1 118 . 5 1 1 A 11 11 GLU HA H 11 4.860 4.988 -0.128 1
1 123 . 5 1 1 A 11 11 GLU C C 11 176.900 175.685 1.215 1
1 124 . 5 1 1 A 11 11 GLU CA C 11 54.800 55.154 -0.354 1
1 125 . 5 1 1 A 11 11 GLU CB C 11 30.000 31.908 -1.908 1
1 127 . 5 1 1 A 11 11 GLU N N 11 123.300 125.861 -2.561 1
1 128 . 5 1 1 A 12 12 VAL H H 12 9.070 8.974 0.096 1
1 129 . 5 1 1 A 12 12 VAL HA H 12 4.870 4.772 0.098 1
1 137 . 5 1 1 A 12 12 VAL C C 12 175.200 175.140 0.060 1
1 138 . 5 1 1 A 12 12 VAL CA C 12 58.600 58.918 -0.318 1
1 139 . 5 1 1 A 12 12 VAL CB C 12 34.400 35.223 -0.823 1
1 142 . 5 1 1 A 12 12 VAL N N 12 119.600 121.489 -1.889 1
1 143 . 5 1 1 A 13 13 GLN H H 13 10.260 8.455 1.805 1
1 144 . 5 1 1 A 13 13 GLN HA H 13 4.550 4.540 0.010 1
1 149 . 5 1 1 A 13 13 GLN C C 13 177.700 176.274 1.426 1
1 150 . 5 1 1 A 13 13 GLN CA C 13 55.200 55.087 0.113 1
1 151 . 5 1 1 A 13 13 GLN CB C 13 30.000 28.779 1.221 1
1 152 . 5 1 1 A 13 13 GLN N N 13 120.900 120.059 0.841 1
1 153 . 5 1 1 A 14 14 SER H H 14 8.190 7.722 0.468 1
1 154 . 5 1 1 A 14 14 SER HA H 14 4.100 4.267 -0.167 1
1 157 . 5 1 1 A 14 14 SER C C 14 171.700 174.809 -3.109 1
1 158 . 5 1 1 A 14 14 SER CA C 14 61.000 58.597 2.403 1
1 159 . 5 1 1 A 14 14 SER CB C 14 65.300 63.890 1.410 1
1 160 . 5 1 1 A 14 14 SER N N 14 118.500 117.274 1.226 1
1 161 . 5 1 1 A 15 15 ALA H H 15 8.320 8.781 -0.461 1
1 162 . 5 1 1 A 15 15 ALA HA H 15 4.610 4.487 0.123 1
1 166 . 5 1 1 A 15 15 ALA C C 15 177.900 176.615 1.285 1
1 167 . 5 1 1 A 15 15 ALA CA C 15 51.200 52.424 -1.224 1
1 168 . 5 1 1 A 15 15 ALA CB C 15 20.100 19.933 0.167 1
1 169 . 5 1 1 A 15 15 ALA N N 15 118.500 125.556 -7.056 1
1 170 . 5 1 1 A 16 16 SER H H 16 7.480 7.457 0.023 1
1 171 . 5 1 1 A 16 16 SER HA H 16 5.390 4.706 0.684 1
1 174 . 5 1 1 A 16 16 SER C C 16 174.600 174.339 0.261 1
1 175 . 5 1 1 A 16 16 SER CA C 16 55.600 56.736 -1.136 1
1 176 . 5 1 1 A 16 16 SER CB C 16 67.400 65.691 1.709 1
1 177 . 5 1 1 A 16 16 SER N N 16 112.400 109.374 3.026 1
1 178 . 5 1 1 A 17 17 VAL H H 17 8.810 8.547 0.263 1
1 179 . 5 1 1 A 17 17 VAL HA H 17 3.120 3.563 -0.443 1
1 187 . 5 1 1 A 17 17 VAL C C 17 176.500 177.367 -0.867 1
1 188 . 5 1 1 A 17 17 VAL CA C 17 66.900 66.332 0.568 1
1 189 . 5 1 1 A 17 17 VAL CB C 17 31.300 31.592 -0.292 1
1 192 . 5 1 1 A 17 17 VAL N N 17 122.400 121.925 0.475 1
1 193 . 5 1 1 A 18 18 ALA H H 18 7.460 8.721 -1.261 1
1 194 . 5 1 1 A 18 18 ALA HA H 18 4.000 4.066 -0.066 1
1 198 . 5 1 1 A 18 18 ALA C C 18 179.600 179.616 -0.016 1
1 199 . 5 1 1 A 18 18 ALA CA C 18 55.300 55.754 -0.454 1
1 200 . 5 1 1 A 18 18 ALA CB C 18 18.800 18.153 0.647 1
1 201 . 5 1 1 A 18 18 ALA N N 18 119.300 122.242 -2.942 1
1 202 . 5 1 1 A 19 19 ALA H H 19 7.620 7.550 0.070 1
1 203 . 5 1 1 A 19 19 ALA HA H 19 4.130 4.135 -0.005 1
1 207 . 5 1 1 A 19 19 ALA C C 19 179.500 180.093 -0.593 1
1 208 . 5 1 1 A 19 19 ALA CA C 19 55.000 55.164 -0.164 1
1 209 . 5 1 1 A 19 19 ALA CB C 19 17.400 18.033 -0.633 1
1 210 . 5 1 1 A 19 19 ALA N N 19 120.000 120.987 -0.987 1
1 211 . 5 1 1 A 20 20 LEU H H 20 8.260 8.016 0.244 1
1 212 . 5 1 1 A 20 20 LEU HA H 20 4.120 4.089 0.031 1
1 221 . 5 1 1 A 20 20 LEU C C 20 177.700 178.926 -1.226 1
1 222 . 5 1 1 A 20 20 LEU CA C 20 57.500 57.757 -0.257 1
1 223 . 5 1 1 A 20 20 LEU CB C 20 42.000 41.523 0.477 1
1 226 . 5 1 1 A 20 20 LEU N N 20 121.900 120.204 1.696 1
1 227 . 5 1 1 A 21 21 MET H H 21 8.020 7.995 0.025 1
1 228 . 5 1 1 A 21 21 MET HA H 21 4.130 4.123 0.007 1
1 230 . 5 1 1 A 21 21 MET C C 21 179.300 179.076 0.224 1
1 231 . 5 1 1 A 21 21 MET CA C 21 57.000 58.868 -1.868 1
1 232 . 5 1 1 A 21 21 MET CB C 21 30.300 32.913 -2.613 1
1 233 . 5 1 1 A 21 21 MET N N 21 115.800 117.182 -1.382 1
1 234 . 5 1 1 A 22 22 THR H H 22 7.380 7.825 -0.445 1
1 235 . 5 1 1 A 22 22 THR HA H 22 3.950 4.013 -0.063 1
1 240 . 5 1 1 A 22 22 THR C C 22 177.300 176.054 1.246 1
1 241 . 5 1 1 A 22 22 THR CA C 22 66.600 67.276 -0.676 1
1 242 . 5 1 1 A 22 22 THR CB C 22 68.200 68.215 -0.015 1
1 244 . 5 1 1 A 22 22 THR N N 22 116.500 115.644 0.856 1
1 245 . 5 1 1 A 23 23 GLU H H 23 8.650 8.317 0.333 1
1 246 . 5 1 1 A 23 23 GLU HA H 23 3.960 4.075 -0.115 1
1 251 . 5 1 1 A 23 23 GLU C C 23 177.900 178.374 -0.474 1
1 252 . 5 1 1 A 23 23 GLU CA C 23 59.500 58.663 0.837 1
1 253 . 5 1 1 A 23 23 GLU CB C 23 29.600 29.579 0.021 1
1 255 . 5 1 1 A 23 23 GLU N N 23 128.000 121.350 6.650 1
1 256 . 5 1 1 A 24 24 LEU H H 24 8.140 7.818 0.322 1
1 257 . 5 1 1 A 24 24 LEU HA H 24 4.200 4.282 -0.082 1
1 266 . 5 1 1 A 24 24 LEU C C 24 175.800 175.647 0.153 1
1 267 . 5 1 1 A 24 24 LEU CA C 24 54.200 54.958 -0.758 1
1 268 . 5 1 1 A 24 24 LEU CB C 24 41.900 41.919 -0.019 1
1 271 . 5 1 1 A 24 24 LEU N N 24 115.900 118.099 -2.199 1
1 272 . 5 1 1 A 25 25 ASP H H 25 7.980 8.101 -0.121 1
1 273 . 5 1 1 A 25 25 ASP HA H 25 4.440 4.361 0.079 1
1 276 . 5 1 1 A 25 25 ASP C C 25 175.800 175.791 0.009 1
1 277 . 5 1 1 A 25 25 ASP CA C 25 55.200 55.469 -0.269 1
1 278 . 5 1 1 A 25 25 ASP CB C 25 39.400 38.970 0.430 1
1 279 . 5 1 1 A 25 25 ASP N N 25 118.400 115.869 2.531 1
1 280 . 5 1 1 A 26 26 CYS H H 26 8.510 7.972 0.538 1
1 281 . 5 1 1 A 26 26 CYS HA H 26 4.460 4.281 0.179 1
1 284 . 5 1 1 A 26 26 CYS C C 26 174.300 174.776 -0.476 1
1 285 . 5 1 1 A 26 26 CYS CA C 26 58.500 62.322 -3.822 1
1 286 . 5 1 1 A 26 26 CYS CB C 26 27.100 27.687 -0.587 1
1 287 . 5 1 1 A 26 26 CYS N N 26 117.000 117.068 -0.068 1
1 288 . 5 1 1 A 27 27 THR H H 27 7.810 8.191 -0.381 1
1 289 . 5 1 1 A 27 27 THR HA H 27 4.450 4.370 0.080 1
1 291 . 5 1 1 A 27 27 THR CA C 27 62.200 63.507 -1.307 1
1 292 . 5 1 1 A 27 27 THR CB C 27 69.400 68.727 0.673 1
1 293 . 5 1 1 A 27 27 THR N N 27 107.800 114.349 -6.549 1
1 294 . 5 1 1 A 29 29 GLY H H 29 8.440 8.353 0.087 1
1 295 . 5 1 1 A 29 29 GLY HA2 H 29 3.890 3.843 0.047 1
1 296 . 5 1 1 A 29 29 GLY HA3 H 29 3.970 4.127 -0.157 1
1 297 . 5 1 1 A 29 29 GLY C C 29 173.800 174.940 -1.140 1
1 298 . 5 1 1 A 29 29 GLY CA C 29 45.800 45.633 0.167 1
1 299 . 5 1 1 A 29 29 GLY N N 29 108.100 107.779 0.321 1
1 300 . 5 1 1 A 30 30 HIS H H 30 8.210 7.676 0.534 1
1 301 . 5 1 1 A 30 30 HIS HA H 30 4.650 4.305 0.345 1
1 305 . 5 1 1 A 30 30 HIS C C 30 173.500 174.706 -1.206 1
1 306 . 5 1 1 A 30 30 HIS CA C 30 55.600 57.218 -1.618 1
1 307 . 5 1 1 A 30 30 HIS CB C 30 28.700 29.345 -0.645 1
1 309 . 5 1 1 A 30 30 HIS N N 30 117.300 117.138 0.162 1
1 310 . 5 1 1 A 31 31 PHE H H 31 7.520 7.533 -0.013 1
1 311 . 5 1 1 A 31 31 PHE HA H 31 5.050 4.811 0.239 1
1 316 . 5 1 1 A 31 31 PHE C C 31 175.200 175.386 -0.186 1
1 317 . 5 1 1 A 31 31 PHE CA C 31 58.000 57.956 0.044 1
1 318 . 5 1 1 A 31 31 PHE CB C 31 41.200 40.421 0.779 1
1 321 . 5 1 1 A 31 31 PHE N N 31 117.000 118.456 -1.456 1
1 322 . 5 1 1 A 32 32 ALA H H 32 9.010 9.045 -0.035 1
1 323 . 5 1 1 A 32 32 ALA HA H 32 5.010 5.822 -0.812 1
1 327 . 5 1 1 A 32 32 ALA C C 32 174.800 176.209 -1.409 1
1 328 . 5 1 1 A 32 32 ALA CA C 32 50.400 50.212 0.188 1
1 329 . 5 1 1 A 32 32 ALA CB C 32 22.500 23.361 -0.861 1
1 330 . 5 1 1 A 32 32 ALA N N 32 123.800 121.962 1.838 1
1 331 . 5 1 1 A 33 33 VAL H H 33 9.350 8.838 0.512 1
1 332 . 5 1 1 A 33 33 VAL HA H 33 5.130 5.035 0.095 1
1 340 . 5 1 1 A 33 33 VAL C C 33 172.400 174.392 -1.992 1
1 341 . 5 1 1 A 33 33 VAL CA C 33 59.700 59.154 0.546 1
1 342 . 5 1 1 A 33 33 VAL CB C 33 35.000 35.605 -0.605 1
1 345 . 5 1 1 A 33 33 VAL N N 33 120.200 112.464 7.736 1
1 346 . 5 1 1 A 34 34 ALA H H 34 9.100 8.671 0.429 1
1 347 . 5 1 1 A 34 34 ALA HA H 34 5.130 5.436 -0.306 1
1 351 . 5 1 1 A 34 34 ALA C C 34 174.900 174.761 0.139 1
1 352 . 5 1 1 A 34 34 ALA CA C 34 49.600 50.406 -0.806 1
1 353 . 5 1 1 A 34 34 ALA CB C 34 21.200 22.578 -1.378 1
1 354 . 5 1 1 A 34 34 ALA N N 34 127.800 124.256 3.544 1
1 355 . 5 1 1 A 35 35 LEU H H 35 8.680 9.271 -0.591 1
1 356 . 5 1 1 A 35 35 LEU HA H 35 4.750 4.781 -0.031 1
1 366 . 5 1 1 A 35 35 LEU C C 35 175.700 175.722 -0.022 1
1 367 . 5 1 1 A 35 35 LEU CA C 35 53.200 53.229 -0.029 1
1 368 . 5 1 1 A 35 35 LEU CB C 35 45.600 44.213 1.387 1
1 372 . 5 1 1 A 35 35 LEU N N 35 125.000 124.680 0.320 1
1 373 . 5 1 1 A 36 36 ASN H H 36 9.960 9.786 0.174 1
1 374 . 5 1 1 A 36 36 ASN HA H 36 3.890 4.472 -0.582 1
1 379 . 5 1 1 A 36 36 ASN C C 36 174.500 175.033 -0.533 1
1 380 . 5 1 1 A 36 36 ASN CA C 36 54.900 54.719 0.181 1
1 381 . 5 1 1 A 36 36 ASN CB C 36 36.800 37.135 -0.335 1
1 382 . 5 1 1 A 36 36 ASN N N 36 127.300 126.528 0.772 1
1 384 . 5 1 1 A 37 37 TYR H H 37 8.750 8.619 0.131 1
1 385 . 5 1 1 A 37 37 TYR HA H 37 3.720 4.205 -0.485 1
1 392 . 5 1 1 A 37 37 TYR C C 37 174.100 174.318 -0.218 1
1 393 . 5 1 1 A 37 37 TYR CA C 37 59.900 58.965 0.935 1
1 394 . 5 1 1 A 37 37 TYR CB C 37 35.300 36.915 -1.615 1
1 399 . 5 1 1 A 37 37 TYR N N 37 107.500 115.632 -8.132 1
1 400 . 5 1 1 A 38 38 ASP H H 38 7.590 7.856 -0.266 1
1 401 . 5 1 1 A 38 38 ASP HA H 38 5.090 5.061 0.029 1
1 404 . 5 1 1 A 38 38 ASP C C 38 175.400 174.742 0.658 1
1 405 . 5 1 1 A 38 38 ASP CA C 38 53.100 53.560 -0.460 1
1 406 . 5 1 1 A 38 38 ASP CB C 38 42.900 43.767 -0.867 1
1 407 . 5 1 1 A 38 38 ASP N N 38 119.900 119.039 0.861 1
1 408 . 5 1 1 A 39 39 VAL H H 39 8.590 8.762 -0.172 1
1 409 . 5 1 1 A 39 39 VAL HA H 39 4.220 4.460 -0.240 1
1 417 . 5 1 1 A 39 39 VAL C C 39 176.600 175.362 1.238 1
1 418 . 5 1 1 A 39 39 VAL CA C 39 63.600 62.954 0.646 1
1 419 . 5 1 1 A 39 39 VAL CB C 39 31.700 32.082 -0.382 1
1 422 . 5 1 1 A 39 39 VAL N N 39 124.300 126.856 -2.556 1
1 423 . 5 1 1 A 40 40 VAL H H 40 8.970 8.436 0.534 1
1 424 . 5 1 1 A 40 40 VAL HA H 40 4.600 4.580 0.020 1
1 432 . 5 1 1 A 40 40 VAL CA C 40 59.100 58.698 0.402 1
1 433 . 5 1 1 A 40 40 VAL CB C 40 32.500 34.471 -1.971 1
1 436 . 5 1 1 A 40 40 VAL N N 40 130.800 127.319 3.481 1
1 437 . 5 1 1 A 41 41 PRO HA H 41 4.580 4.702 -0.122 1
1 444 . 5 1 1 A 41 41 PRO C C 41 177.700 177.752 -0.052 1
1 445 . 5 1 1 A 41 41 PRO CA C 41 62.800 62.521 0.279 1
1 446 . 5 1 1 A 41 41 PRO CB C 41 32.300 32.717 -0.417 1
1 449 . 5 1 1 A 42 42 ARG H H 42 8.640 8.249 0.391 1
1 450 . 5 1 1 A 42 42 ARG HA H 42 1.890 1.811 0.079 1
1 458 . 5 1 1 A 42 42 ARG C C 42 178.800 176.404 2.396 1
1 459 . 5 1 1 A 42 42 ARG CA C 42 58.100 57.115 0.985 1
1 460 . 5 1 1 A 42 42 ARG CB C 42 29.600 28.649 0.951 1
1 462 . 5 1 1 A 42 42 ARG N N 42 124.000 121.919 2.081 1
1 464 . 5 1 1 A 43 43 GLY H H 43 8.690 8.080 0.610 1
1 465 . 5 1 1 A 43 43 GLY HA2 H 43 3.770 3.855 -0.085 1
1 466 . 5 1 1 A 43 43 GLY HA3 H 43 3.870 3.887 -0.017 1
1 467 . 5 1 1 A 43 43 GLY C C 43 174.600 174.394 0.206 1
1 468 . 5 1 1 A 43 43 GLY CA C 43 45.800 45.461 0.339 1
1 469 . 5 1 1 A 43 43 GLY N N 43 106.000 108.452 -2.452 1
1 470 . 5 1 1 A 44 44 LYS H H 44 8.260 8.026 0.234 1
1 471 . 5 1 1 A 44 44 LYS HA H 44 4.840 4.538 0.302 1
1 480 . 5 1 1 A 44 44 LYS C C 44 179.200 177.139 2.061 1
1 481 . 5 1 1 A 44 44 LYS CA C 44 54.500 55.723 -1.223 1
1 482 . 5 1 1 A 44 44 LYS CB C 44 32.900 33.047 -0.147 1
1 486 . 5 1 1 A 44 44 LYS N N 44 115.900 117.883 -1.983 1
1 487 . 5 1 1 A 45 45 TRP H H 45 8.120 7.752 0.368 1
1 488 . 5 1 1 A 45 45 TRP HA H 45 4.350 4.424 -0.074 1
1 497 . 5 1 1 A 45 45 TRP C C 45 178.400 178.395 0.005 1
1 498 . 5 1 1 A 45 45 TRP CA C 45 60.500 59.942 0.558 1
1 499 . 5 1 1 A 45 45 TRP CB C 45 28.500 28.985 -0.485 1
1 505 . 5 1 1 A 45 45 TRP N N 45 124.800 120.811 3.989 1
1 507 . 5 1 1 A 46 46 ASP H H 46 8.950 8.592 0.358 1
1 508 . 5 1 1 A 46 46 ASP HA H 46 4.460 4.365 0.095 1
1 511 . 5 1 1 A 46 46 ASP C C 46 176.800 177.778 -0.978 1
1 512 . 5 1 1 A 46 46 ASP CA C 46 56.900 57.576 -0.676 1
1 513 . 5 1 1 A 46 46 ASP CB C 46 40.400 41.031 -0.631 1
1 514 . 5 1 1 A 46 46 ASP N N 46 117.400 120.967 -3.567 1
1 515 . 5 1 1 A 47 47 GLU H H 47 7.530 7.799 -0.269 1
1 516 . 5 1 1 A 47 47 GLU HA H 47 4.580 4.372 0.208 1
1 521 . 5 1 1 A 47 47 GLU C C 47 175.500 174.986 0.514 1
1 522 . 5 1 1 A 47 47 GLU CA C 47 55.300 56.822 -1.522 1
1 523 . 5 1 1 A 47 47 GLU CB C 47 30.800 30.238 0.562 1
1 525 . 5 1 1 A 47 47 GLU N N 47 114.500 116.679 -2.179 1
1 526 . 5 1 1 A 48 48 THR H H 48 7.230 7.246 -0.016 1
1 527 . 5 1 1 A 48 48 THR HA H 48 4.700 4.796 -0.096 1
1 532 . 5 1 1 A 48 48 THR CA C 48 60.800 58.958 1.842 1
1 533 . 5 1 1 A 48 48 THR CB C 48 70.100 70.160 -0.060 1
1 534 . 5 1 1 A 48 48 THR N N 48 119.900 115.374 4.526 1
1 535 . 5 1 1 A 49 49 PRO HA H 49 4.890 4.580 0.310 1
1 542 . 5 1 1 A 49 49 PRO C C 49 175.400 175.378 0.022 1
1 543 . 5 1 1 A 49 49 PRO CA C 49 62.100 62.773 -0.673 1
1 544 . 5 1 1 A 49 49 PRO CB C 49 32.900 32.383 0.517 1
1 547 . 5 1 1 A 50 50 VAL H H 50 6.960 8.073 -1.113 1
1 548 . 5 1 1 A 50 50 VAL HA H 50 4.030 4.602 -0.572 1
1 556 . 5 1 1 A 50 50 VAL C C 50 173.800 174.836 -1.036 1
1 557 . 5 1 1 A 50 50 VAL CA C 50 61.400 60.829 0.571 1
1 558 . 5 1 1 A 50 50 VAL CB C 50 33.900 33.617 0.283 1
1 561 . 5 1 1 A 50 50 VAL N N 50 119.400 121.735 -2.335 1
1 562 . 5 1 1 A 51 51 THR H H 51 8.940 8.701 0.239 1
1 563 . 5 1 1 A 51 51 THR HA H 51 4.460 4.824 -0.364 1
1 568 . 5 1 1 A 51 51 THR C C 51 172.300 173.966 -1.666 1
1 569 . 5 1 1 A 51 51 THR CA C 51 60.600 61.201 -0.601 1
1 570 . 5 1 1 A 51 51 THR CB C 51 71.000 70.891 0.109 1
1 571 . 5 1 1 A 51 51 THR N N 51 122.600 123.941 -1.341 1
1 572 . 5 1 1 A 52 52 ALA H H 52 8.150 8.598 -0.448 1
1 573 . 5 1 1 A 52 52 ALA HA H 52 3.940 3.983 -0.043 1
1 577 . 5 1 1 A 52 52 ALA C C 52 179.100 178.080 1.020 1
1 578 . 5 1 1 A 52 52 ALA CA C 52 53.700 53.785 -0.085 1
1 579 . 5 1 1 A 52 52 ALA CB C 52 18.200 18.383 -0.183 1
1 580 . 5 1 1 A 52 52 ALA N N 52 125.400 129.036 -3.636 1
1 581 . 5 1 1 A 53 53 GLY H H 53 9.160 8.925 0.235 1
1 582 . 5 1 1 A 53 53 GLY HA2 H 53 3.670 4.002 -0.332 1
1 583 . 5 1 1 A 53 53 GLY HA3 H 53 4.310 4.003 0.307 1
1 584 . 5 1 1 A 53 53 GLY C C 53 174.900 174.111 0.789 1
1 585 . 5 1 1 A 53 53 GLY CA C 53 44.700 45.005 -0.305 1
1 586 . 5 1 1 A 53 53 GLY N N 53 111.000 110.552 0.448 1
1 587 . 5 1 1 A 54 54 ASP H H 54 8.180 7.912 0.268 1
1 588 . 5 1 1 A 54 54 ASP HA H 54 4.700 4.652 0.048 1
1 591 . 5 1 1 A 54 54 ASP C C 54 174.600 175.726 -1.126 1
1 592 . 5 1 1 A 54 54 ASP CA C 54 56.100 54.382 1.718 1
1 593 . 5 1 1 A 54 54 ASP CB C 54 41.800 41.655 0.145 1
1 594 . 5 1 1 A 54 54 ASP N N 54 122.700 121.094 1.606 1
1 595 . 5 1 1 A 55 55 GLU H H 55 8.160 8.489 -0.329 1
1 596 . 5 1 1 A 55 55 GLU HA H 55 4.730 4.676 0.054 1
1 601 . 5 1 1 A 55 55 GLU C C 55 175.000 175.553 -0.553 1
1 602 . 5 1 1 A 55 55 GLU CA C 55 55.100 56.156 -1.056 1
1 603 . 5 1 1 A 55 55 GLU CB C 55 30.500 30.485 0.015 1
1 605 . 5 1 1 A 55 55 GLU N N 55 118.800 122.656 -3.856 1
1 606 . 5 1 1 A 56 56 ILE H H 56 9.320 8.933 0.387 1
1 607 . 5 1 1 A 56 56 ILE HA H 56 4.950 5.123 -0.173 1
1 617 . 5 1 1 A 56 56 ILE C C 56 175.100 175.035 0.065 1
1 618 . 5 1 1 A 56 56 ILE CA C 56 59.800 59.885 -0.085 1
1 619 . 5 1 1 A 56 56 ILE CB C 56 40.200 40.614 -0.414 1
1 623 . 5 1 1 A 56 56 ILE N N 56 127.400 125.691 1.709 1
1 624 . 5 1 1 A 57 57 GLU H H 57 9.170 8.561 0.609 1
1 625 . 5 1 1 A 57 57 GLU HA H 57 5.000 5.170 -0.170 1
1 630 . 5 1 1 A 57 57 GLU C C 57 174.100 175.074 -0.974 1
1 631 . 5 1 1 A 57 57 GLU CA C 57 54.400 54.537 -0.137 1
1 632 . 5 1 1 A 57 57 GLU CB C 57 32.900 33.537 -0.637 1
1 634 . 5 1 1 A 57 57 GLU N N 57 129.600 125.497 4.103 1
1 635 . 5 1 1 A 58 58 ILE H H 58 9.500 8.891 0.609 1
1 636 . 5 1 1 A 58 58 ILE HA H 58 4.610 4.651 -0.041 1
1 646 . 5 1 1 A 58 58 ILE C C 58 175.900 174.778 1.122 1
1 647 . 5 1 1 A 58 58 ILE CA C 58 59.900 59.364 0.536 1
1 648 . 5 1 1 A 58 58 ILE CB C 58 37.800 39.168 -1.368 1
1 652 . 5 1 1 A 58 58 ILE N N 58 126.500 124.691 1.809 1
1 653 . 5 1 1 A 59 59 LEU H H 59 9.150 8.637 0.513 1
1 654 . 5 1 1 A 59 59 LEU HA H 59 4.840 4.803 0.037 1
1 663 . 5 1 1 A 59 59 LEU C C 59 175.800 175.968 -0.168 1
1 664 . 5 1 1 A 59 59 LEU CA C 59 53.800 53.986 -0.186 1
1 665 . 5 1 1 A 59 59 LEU CB C 59 44.300 43.287 1.013 1
1 668 . 5 1 1 A 59 59 LEU N N 59 129.800 128.363 1.437 1
1 669 . 5 1 1 A 60 60 THR H H 60 8.470 8.731 -0.261 1
1 673 . 5 1 1 A 60 60 THR CA C 60 58.200 58.364 -0.164 1
1 674 . 5 1 1 A 60 60 THR CB C 60 69.900 68.803 1.097 1
1 676 . 5 1 1 A 60 60 THR N N 60 114.300 116.287 -1.987 1
1 677 . 5 1 1 A 61 61 PRO HA H 61 4.400 4.836 -0.436 1
1 680 . 5 1 1 A 61 61 PRO CA C 61 63.200 62.427 0.773 1
1 681 . 5 1 1 A 61 61 PRO CB C 61 32.100 31.908 0.192 1
1 682 . 5 1 1 A 62 62 ARG HA H 62 4.260 4.592 -0.332 1
1 689 . 5 1 1 A 62 62 ARG C C 62 176.500 177.765 -1.265 1
1 690 . 5 1 1 A 62 62 ARG CA C 62 56.500 55.328 1.172 1
1 691 . 5 1 1 A 62 62 ARG CB C 62 30.500 31.441 -0.941 1
1 694 . 5 1 1 A 63 63 GLN H H 63 8.500 8.805 -0.305 1
1 695 . 5 1 1 A 63 63 GLN HA H 63 4.250 4.325 -0.075 1
1 702 . 5 1 1 A 63 63 GLN C C 63 176.400 176.611 -0.211 1
1 703 . 5 1 1 A 63 63 GLN CA C 63 56.000 58.084 -2.084 1
1 704 . 5 1 1 A 63 63 GLN CB C 63 29.200 28.814 0.386 1
1 706 . 5 1 1 A 63 63 GLN N N 63 121.700 121.933 -0.233 1
1 708 . 5 1 1 A 64 64 GLY H H 64 8.330 7.834 0.496 1
1 709 . 5 1 1 A 64 64 GLY HA2 H 64 3.940 4.075 -0.135 1
1 710 . 5 1 1 A 64 64 GLY HA3 H 64 3.940 4.075 -0.135 1
1 711 . 5 1 1 A 64 64 GLY C C 64 174.500 173.842 0.658 1
1 712 . 5 1 1 A 64 64 GLY CA C 64 45.300 45.334 -0.034 1
1 713 . 5 1 1 A 64 64 GLY N N 64 110.100 108.190 1.910 1
1 714 . 5 1 1 A 65 65 GLY H H 65 8.260 8.512 -0.252 1
1 715 . 5 1 1 A 65 65 GLY HA2 H 65 3.940 4.105 -0.165 1
1 716 . 5 1 1 A 65 65 GLY HA3 H 65 3.940 4.119 -0.179 1
1 717 . 5 1 1 A 65 65 GLY C C 65 174.200 173.145 1.055 1
1 718 . 5 1 1 A 65 65 GLY CA C 65 45.200 45.006 0.194 1
1 719 . 5 1 1 A 65 65 GLY N N 65 108.500 108.723 -0.223 1
1 720 . 5 1 1 A 66 66 LEU H H 66 8.200 8.496 -0.296 1
1 721 . 5 1 1 A 66 66 LEU HA H 66 4.250 4.286 -0.036 1
1 730 . 5 1 1 A 66 66 LEU C C 66 177.400 177.269 0.131 1
1 731 . 5 1 1 A 66 66 LEU CA C 66 55.200 55.344 -0.144 1
1 732 . 5 1 1 A 66 66 LEU CB C 66 42.300 42.442 -0.142 1
1 736 . 5 1 1 A 66 66 LEU N N 66 121.200 121.742 -0.542 1
1 737 . 5 1 1 A 67 67 GLU H H 67 8.460 8.762 -0.302 1
1 738 . 5 1 1 A 67 67 GLU HA H 67 4.170 4.726 -0.556 1
1 743 . 5 1 1 A 67 67 GLU CA C 67 56.500 56.227 0.273 1
1 744 . 5 1 1 A 67 67 GLU CB C 67 30.000 30.584 -0.584 1
1 2 . 6 1 1 A 2 2 LEU H H 2 8.810 7.763 1.047 1
1 3 . 6 1 1 A 2 2 LEU HA H 2 4.930 4.257 0.673 1
1 12 . 6 1 1 A 2 2 LEU C C 2 175.900 176.272 -0.372 1
1 13 . 6 1 1 A 2 2 LEU CA C 2 55.100 54.865 0.235 1
1 14 . 6 1 1 A 2 2 LEU CB C 2 42.600 42.328 0.272 1
1 17 . 6 1 1 A 2 2 LEU N N 2 127.000 119.662 7.338 1
1 18 . 6 1 1 A 3 3 VAL H H 3 8.670 9.009 -0.339 1
1 19 . 6 1 1 A 3 3 VAL HA H 3 4.580 4.862 -0.282 1
1 27 . 6 1 1 A 3 3 VAL C C 3 174.000 174.015 -0.015 1
1 28 . 6 1 1 A 3 3 VAL CA C 3 59.400 59.221 0.179 1
1 29 . 6 1 1 A 3 3 VAL CB C 3 35.500 35.138 0.362 1
1 32 . 6 1 1 A 3 3 VAL N N 3 119.900 119.270 0.630 1
1 33 . 6 1 1 A 4 4 THR H H 4 8.310 8.639 -0.329 1
1 34 . 6 1 1 A 4 4 THR HA H 4 4.850 4.942 -0.092 1
1 39 . 6 1 1 A 4 4 THR C C 4 173.600 174.129 -0.529 1
1 40 . 6 1 1 A 4 4 THR CA C 4 61.700 62.002 -0.302 1
1 41 . 6 1 1 A 4 4 THR CB C 4 69.500 69.337 0.163 1
1 43 . 6 1 1 A 4 4 THR N N 4 116.000 118.605 -2.605 1
1 44 . 6 1 1 A 5 5 ILE H H 5 9.060 9.359 -0.299 1
1 45 . 6 1 1 A 5 5 ILE HA H 5 4.830 4.786 0.044 1
1 55 . 6 1 1 A 5 5 ILE C C 5 176.100 176.370 -0.270 1
1 56 . 6 1 1 A 5 5 ILE CA C 5 59.400 60.321 -0.921 1
1 57 . 6 1 1 A 5 5 ILE CB C 5 39.300 39.334 -0.034 1
1 61 . 6 1 1 A 5 5 ILE N N 5 125.000 127.203 -2.203 1
1 62 . 6 1 1 A 6 6 ASN H H 6 9.480 9.292 0.188 1
1 63 . 6 1 1 A 6 6 ASN HA H 6 4.510 4.348 0.162 1
1 68 . 6 1 1 A 6 6 ASN C C 6 175.700 174.560 1.140 1
1 69 . 6 1 1 A 6 6 ASN CA C 6 54.100 54.243 -0.143 1
1 70 . 6 1 1 A 6 6 ASN CB C 6 36.100 37.473 -1.373 1
1 71 . 6 1 1 A 6 6 ASN N N 6 129.500 126.224 3.276 1
1 73 . 6 1 1 A 7 7 GLY H H 7 8.860 8.608 0.252 1
1 74 . 6 1 1 A 7 7 GLY HA2 H 7 3.560 3.864 -0.304 1
1 75 . 6 1 1 A 7 7 GLY HA3 H 7 4.180 3.864 0.316 1
1 76 . 6 1 1 A 7 7 GLY C C 7 173.500 173.715 -0.215 1
1 77 . 6 1 1 A 7 7 GLY CA C 7 45.300 45.546 -0.246 1
1 78 . 6 1 1 A 7 7 GLY N N 7 102.200 103.835 -1.635 1
1 79 . 6 1 1 A 8 8 GLU H H 8 7.790 8.041 -0.251 1
1 80 . 6 1 1 A 8 8 GLU HA H 8 4.690 4.758 -0.068 1
1 85 . 6 1 1 A 8 8 GLU C C 8 175.300 175.338 -0.038 1
1 86 . 6 1 1 A 8 8 GLU CA C 8 54.200 54.807 -0.607 1
1 87 . 6 1 1 A 8 8 GLU CB C 8 32.300 32.223 0.077 1
1 89 . 6 1 1 A 8 8 GLU N N 8 120.900 120.101 0.799 1
1 90 . 6 1 1 A 9 9 GLN H H 9 8.940 8.637 0.303 1
1 91 . 6 1 1 A 9 9 GLN HA H 9 4.770 4.847 -0.077 1
1 96 . 6 1 1 A 9 9 GLN C C 9 176.000 175.143 0.857 1
1 97 . 6 1 1 A 9 9 GLN CA C 9 56.900 55.954 0.946 1
1 98 . 6 1 1 A 9 9 GLN CB C 9 29.300 29.030 0.270 1
1 100 . 6 1 1 A 9 9 GLN N N 9 125.800 123.247 2.553 1
1 101 . 6 1 1 A 10 10 ARG H H 10 9.230 8.721 0.509 1
1 102 . 6 1 1 A 10 10 ARG HA H 10 4.580 4.779 -0.199 1
1 110 . 6 1 1 A 10 10 ARG C C 10 173.300 173.552 -0.252 1
1 111 . 6 1 1 A 10 10 ARG CA C 10 54.400 55.057 -0.657 1
1 112 . 6 1 1 A 10 10 ARG CB C 10 34.400 34.319 0.081 1
1 115 . 6 1 1 A 10 10 ARG N N 10 125.200 123.898 1.302 1
1 117 . 6 1 1 A 11 11 GLU H H 11 8.380 8.953 -0.573 1
1 118 . 6 1 1 A 11 11 GLU HA H 11 4.860 4.967 -0.107 1
1 123 . 6 1 1 A 11 11 GLU C C 11 176.900 175.591 1.309 1
1 124 . 6 1 1 A 11 11 GLU CA C 11 54.800 54.946 -0.146 1
1 125 . 6 1 1 A 11 11 GLU CB C 11 30.000 31.712 -1.712 1
1 127 . 6 1 1 A 11 11 GLU N N 11 123.300 126.223 -2.923 1
1 128 . 6 1 1 A 12 12 VAL H H 12 9.070 8.928 0.142 1
1 129 . 6 1 1 A 12 12 VAL HA H 12 4.870 4.960 -0.090 1
1 137 . 6 1 1 A 12 12 VAL C C 12 175.200 174.307 0.893 1
1 138 . 6 1 1 A 12 12 VAL CA C 12 58.600 58.737 -0.137 1
1 139 . 6 1 1 A 12 12 VAL CB C 12 34.400 36.008 -1.608 1
1 142 . 6 1 1 A 12 12 VAL N N 12 119.600 121.287 -1.687 1
1 143 . 6 1 1 A 13 13 GLN H H 13 10.260 8.555 1.705 1
1 144 . 6 1 1 A 13 13 GLN HA H 13 4.550 4.666 -0.116 1
1 149 . 6 1 1 A 13 13 GLN C C 13 177.700 175.806 1.894 1
1 150 . 6 1 1 A 13 13 GLN CA C 13 55.200 54.728 0.472 1
1 151 . 6 1 1 A 13 13 GLN CB C 13 30.000 29.308 0.692 1
1 152 . 6 1 1 A 13 13 GLN N N 13 120.900 123.410 -2.510 1
1 153 . 6 1 1 A 14 14 SER H H 14 8.190 8.055 0.135 1
1 154 . 6 1 1 A 14 14 SER HA H 14 4.100 4.445 -0.345 1
1 157 . 6 1 1 A 14 14 SER C C 14 171.700 173.734 -2.034 1
1 158 . 6 1 1 A 14 14 SER CA C 14 61.000 58.347 2.653 1
1 159 . 6 1 1 A 14 14 SER CB C 14 65.300 63.183 2.117 1
1 160 . 6 1 1 A 14 14 SER N N 14 118.500 118.766 -0.266 1
1 161 . 6 1 1 A 15 15 ALA H H 15 8.320 7.923 0.397 1
1 162 . 6 1 1 A 15 15 ALA HA H 15 4.610 4.023 0.587 1
1 166 . 6 1 1 A 15 15 ALA C C 15 177.900 175.970 1.930 1
1 167 . 6 1 1 A 15 15 ALA CA C 15 51.200 54.130 -2.930 1
1 168 . 6 1 1 A 15 15 ALA CB C 15 20.100 18.041 2.059 1
1 169 . 6 1 1 A 15 15 ALA N N 15 118.500 122.821 -4.321 1
1 170 . 6 1 1 A 16 16 SER H H 16 7.480 7.556 -0.076 1
1 171 . 6 1 1 A 16 16 SER HA H 16 5.390 4.936 0.454 1
1 174 . 6 1 1 A 16 16 SER C C 16 174.600 173.647 0.953 1
1 175 . 6 1 1 A 16 16 SER CA C 16 55.600 57.507 -1.907 1
1 176 . 6 1 1 A 16 16 SER CB C 16 67.400 67.041 0.359 1
1 177 . 6 1 1 A 16 16 SER N N 16 112.400 112.284 0.116 1
1 178 . 6 1 1 A 17 17 VAL H H 17 8.810 8.587 0.223 1
1 179 . 6 1 1 A 17 17 VAL HA H 17 3.120 3.536 -0.416 1
1 187 . 6 1 1 A 17 17 VAL C C 17 176.500 177.296 -0.796 1
1 188 . 6 1 1 A 17 17 VAL CA C 17 66.900 66.285 0.615 1
1 189 . 6 1 1 A 17 17 VAL CB C 17 31.300 31.556 -0.256 1
1 192 . 6 1 1 A 17 17 VAL N N 17 122.400 123.285 -0.885 1
1 193 . 6 1 1 A 18 18 ALA H H 18 7.460 8.211 -0.751 1
1 194 . 6 1 1 A 18 18 ALA HA H 18 4.000 4.062 -0.062 1
1 198 . 6 1 1 A 18 18 ALA C C 18 179.600 179.308 0.292 1
1 199 . 6 1 1 A 18 18 ALA CA C 18 55.300 55.522 -0.222 1
1 200 . 6 1 1 A 18 18 ALA CB C 18 18.800 18.010 0.790 1
1 201 . 6 1 1 A 18 18 ALA N N 18 119.300 122.113 -2.813 1
1 202 . 6 1 1 A 19 19 ALA H H 19 7.620 8.123 -0.503 1
1 203 . 6 1 1 A 19 19 ALA HA H 19 4.130 4.158 -0.028 1
1 207 . 6 1 1 A 19 19 ALA C C 19 179.500 179.996 -0.496 1
1 208 . 6 1 1 A 19 19 ALA CA C 19 55.000 55.134 -0.134 1
1 209 . 6 1 1 A 19 19 ALA CB C 19 17.400 18.174 -0.774 1
1 210 . 6 1 1 A 19 19 ALA N N 19 120.000 121.211 -1.211 1
1 211 . 6 1 1 A 20 20 LEU H H 20 8.260 8.044 0.216 1
1 212 . 6 1 1 A 20 20 LEU HA H 20 4.120 4.310 -0.190 1
1 221 . 6 1 1 A 20 20 LEU C C 20 177.700 178.918 -1.218 1
1 222 . 6 1 1 A 20 20 LEU CA C 20 57.500 57.781 -0.281 1
1 223 . 6 1 1 A 20 20 LEU CB C 20 42.000 41.562 0.438 1
1 226 . 6 1 1 A 20 20 LEU N N 20 121.900 120.188 1.712 1
1 227 . 6 1 1 A 21 21 MET H H 21 8.020 8.140 -0.120 1
1 228 . 6 1 1 A 21 21 MET HA H 21 4.130 4.098 0.032 1
1 230 . 6 1 1 A 21 21 MET C C 21 179.300 179.105 0.195 1
1 231 . 6 1 1 A 21 21 MET CA C 21 57.000 58.848 -1.848 1
1 232 . 6 1 1 A 21 21 MET CB C 21 30.300 32.704 -2.404 1
1 233 . 6 1 1 A 21 21 MET N N 21 115.800 117.023 -1.223 1
1 234 . 6 1 1 A 22 22 THR H H 22 7.380 7.739 -0.359 1
1 235 . 6 1 1 A 22 22 THR HA H 22 3.950 3.957 -0.007 1
1 240 . 6 1 1 A 22 22 THR C C 22 177.300 176.905 0.395 1
1 241 . 6 1 1 A 22 22 THR CA C 22 66.600 67.263 -0.663 1
1 242 . 6 1 1 A 22 22 THR CB C 22 68.200 68.379 -0.179 1
1 244 . 6 1 1 A 22 22 THR N N 22 116.500 116.246 0.254 1
1 245 . 6 1 1 A 23 23 GLU H H 23 8.650 8.072 0.578 1
1 246 . 6 1 1 A 23 23 GLU HA H 23 3.960 4.002 -0.042 1
1 251 . 6 1 1 A 23 23 GLU C C 23 177.900 178.336 -0.436 1
1 252 . 6 1 1 A 23 23 GLU CA C 23 59.500 59.295 0.205 1
1 253 . 6 1 1 A 23 23 GLU CB C 23 29.600 29.247 0.353 1
1 255 . 6 1 1 A 23 23 GLU N N 23 128.000 120.470 7.530 1
1 256 . 6 1 1 A 24 24 LEU H H 24 8.140 7.747 0.393 1
1 257 . 6 1 1 A 24 24 LEU HA H 24 4.200 4.291 -0.091 1
1 266 . 6 1 1 A 24 24 LEU C C 24 175.800 176.079 -0.279 1
1 267 . 6 1 1 A 24 24 LEU CA C 24 54.200 54.979 -0.779 1
1 268 . 6 1 1 A 24 24 LEU CB C 24 41.900 41.750 0.150 1
1 271 . 6 1 1 A 24 24 LEU N N 24 115.900 118.124 -2.224 1
1 272 . 6 1 1 A 25 25 ASP H H 25 7.980 8.171 -0.191 1
1 273 . 6 1 1 A 25 25 ASP HA H 25 4.440 4.344 0.096 1
1 276 . 6 1 1 A 25 25 ASP C C 25 175.800 176.643 -0.843 1
1 277 . 6 1 1 A 25 25 ASP CA C 25 55.200 54.935 0.265 1
1 278 . 6 1 1 A 25 25 ASP CB C 25 39.400 38.514 0.886 1
1 279 . 6 1 1 A 25 25 ASP N N 25 118.400 118.517 -0.117 1
1 280 . 6 1 1 A 26 26 CYS H H 26 8.510 7.992 0.518 1
1 281 . 6 1 1 A 26 26 CYS HA H 26 4.460 4.316 0.144 1
1 284 . 6 1 1 A 26 26 CYS C C 26 174.300 174.922 -0.622 1
1 285 . 6 1 1 A 26 26 CYS CA C 26 58.500 61.961 -3.461 1
1 286 . 6 1 1 A 26 26 CYS CB C 26 27.100 27.990 -0.890 1
1 287 . 6 1 1 A 26 26 CYS N N 26 117.000 119.585 -2.585 1
1 288 . 6 1 1 A 27 27 THR H H 27 7.810 8.100 -0.290 1
1 289 . 6 1 1 A 27 27 THR HA H 27 4.450 4.120 0.330 1
1 291 . 6 1 1 A 27 27 THR CA C 27 62.200 62.853 -0.653 1
1 292 . 6 1 1 A 27 27 THR CB C 27 69.400 66.460 2.940 1
1 293 . 6 1 1 A 27 27 THR N N 27 107.800 114.395 -6.595 1
1 294 . 6 1 1 A 29 29 GLY H H 29 8.440 8.602 -0.162 1
1 295 . 6 1 1 A 29 29 GLY HA2 H 29 3.890 3.855 0.035 1
1 296 . 6 1 1 A 29 29 GLY HA3 H 29 3.970 4.273 -0.303 1
1 297 . 6 1 1 A 29 29 GLY C C 29 173.800 175.082 -1.282 1
1 298 . 6 1 1 A 29 29 GLY CA C 29 45.800 46.232 -0.432 1
1 299 . 6 1 1 A 29 29 GLY N N 29 108.100 108.202 -0.102 1
1 300 . 6 1 1 A 30 30 HIS H H 30 8.210 7.562 0.648 1
1 301 . 6 1 1 A 30 30 HIS HA H 30 4.650 4.002 0.648 1
1 305 . 6 1 1 A 30 30 HIS C C 30 173.500 174.663 -1.163 1
1 306 . 6 1 1 A 30 30 HIS CA C 30 55.600 58.804 -3.204 1
1 307 . 6 1 1 A 30 30 HIS CB C 30 28.700 29.440 -0.740 1
1 309 . 6 1 1 A 30 30 HIS N N 30 117.300 119.147 -1.847 1
1 310 . 6 1 1 A 31 31 PHE H H 31 7.520 7.895 -0.375 1
1 311 . 6 1 1 A 31 31 PHE HA H 31 5.050 4.804 0.246 1
1 316 . 6 1 1 A 31 31 PHE C C 31 175.200 175.728 -0.528 1
1 317 . 6 1 1 A 31 31 PHE CA C 31 58.000 58.047 -0.047 1
1 318 . 6 1 1 A 31 31 PHE CB C 31 41.200 41.011 0.189 1
1 321 . 6 1 1 A 31 31 PHE N N 31 117.000 116.456 0.544 1
1 322 . 6 1 1 A 32 32 ALA H H 32 9.010 8.430 0.580 1
1 323 . 6 1 1 A 32 32 ALA HA H 32 5.010 5.373 -0.363 1
1 327 . 6 1 1 A 32 32 ALA C C 32 174.800 177.313 -2.513 1
1 328 . 6 1 1 A 32 32 ALA CA C 32 50.400 50.891 -0.491 1
1 329 . 6 1 1 A 32 32 ALA CB C 32 22.500 21.293 1.207 1
1 330 . 6 1 1 A 32 32 ALA N N 32 123.800 124.125 -0.325 1
1 331 . 6 1 1 A 33 33 VAL H H 33 9.350 9.003 0.347 1
1 332 . 6 1 1 A 33 33 VAL HA H 33 5.130 5.106 0.024 1
1 340 . 6 1 1 A 33 33 VAL C C 33 172.400 174.534 -2.134 1
1 341 . 6 1 1 A 33 33 VAL CA C 33 59.700 59.103 0.597 1
1 342 . 6 1 1 A 33 33 VAL CB C 33 35.000 35.766 -0.766 1
1 345 . 6 1 1 A 33 33 VAL N N 33 120.200 112.794 7.406 1
1 346 . 6 1 1 A 34 34 ALA H H 34 9.100 8.648 0.452 1
1 347 . 6 1 1 A 34 34 ALA HA H 34 5.130 5.497 -0.367 1
1 351 . 6 1 1 A 34 34 ALA C C 34 174.900 174.755 0.145 1
1 352 . 6 1 1 A 34 34 ALA CA C 34 49.600 50.657 -1.057 1
1 353 . 6 1 1 A 34 34 ALA CB C 34 21.200 22.649 -1.449 1
1 354 . 6 1 1 A 34 34 ALA N N 34 127.800 124.219 3.581 1
1 355 . 6 1 1 A 35 35 LEU H H 35 8.680 9.195 -0.515 1
1 356 . 6 1 1 A 35 35 LEU HA H 35 4.750 4.700 0.050 1
1 366 . 6 1 1 A 35 35 LEU C C 35 175.700 175.588 0.112 1
1 367 . 6 1 1 A 35 35 LEU CA C 35 53.200 53.305 -0.105 1
1 368 . 6 1 1 A 35 35 LEU CB C 35 45.600 44.453 1.147 1
1 372 . 6 1 1 A 35 35 LEU N N 35 125.000 124.799 0.201 1
1 373 . 6 1 1 A 36 36 ASN H H 36 9.960 9.227 0.733 1
1 374 . 6 1 1 A 36 36 ASN HA H 36 3.890 3.967 -0.077 1
1 379 . 6 1 1 A 36 36 ASN C C 36 174.500 174.158 0.342 1
1 380 . 6 1 1 A 36 36 ASN CA C 36 54.900 54.402 0.498 1
1 381 . 6 1 1 A 36 36 ASN CB C 36 36.800 36.943 -0.143 1
1 382 . 6 1 1 A 36 36 ASN N N 36 127.300 126.370 0.930 1
1 384 . 6 1 1 A 37 37 TYR H H 37 8.750 8.036 0.714 1
1 385 . 6 1 1 A 37 37 TYR HA H 37 3.720 4.129 -0.409 1
1 392 . 6 1 1 A 37 37 TYR C C 37 174.100 173.736 0.364 1
1 393 . 6 1 1 A 37 37 TYR CA C 37 59.900 58.903 0.997 1
1 394 . 6 1 1 A 37 37 TYR CB C 37 35.300 35.629 -0.329 1
1 399 . 6 1 1 A 37 37 TYR N N 37 107.500 110.397 -2.897 1
1 400 . 6 1 1 A 38 38 ASP H H 38 7.590 7.799 -0.209 1
1 401 . 6 1 1 A 38 38 ASP HA H 38 5.090 5.024 0.066 1
1 404 . 6 1 1 A 38 38 ASP C C 38 175.400 174.711 0.689 1
1 405 . 6 1 1 A 38 38 ASP CA C 38 53.100 53.824 -0.724 1
1 406 . 6 1 1 A 38 38 ASP CB C 38 42.900 43.526 -0.626 1
1 407 . 6 1 1 A 38 38 ASP N N 38 119.900 118.359 1.541 1
1 408 . 6 1 1 A 39 39 VAL H H 39 8.590 8.863 -0.273 1
1 409 . 6 1 1 A 39 39 VAL HA H 39 4.220 4.533 -0.313 1
1 417 . 6 1 1 A 39 39 VAL C C 39 176.600 175.377 1.223 1
1 418 . 6 1 1 A 39 39 VAL CA C 39 63.600 63.052 0.548 1
1 419 . 6 1 1 A 39 39 VAL CB C 39 31.700 32.155 -0.455 1
1 422 . 6 1 1 A 39 39 VAL N N 39 124.300 126.893 -2.593 1
1 423 . 6 1 1 A 40 40 VAL H H 40 8.970 8.599 0.371 1
1 424 . 6 1 1 A 40 40 VAL HA H 40 4.600 4.602 -0.002 1
1 432 . 6 1 1 A 40 40 VAL CA C 40 59.100 58.745 0.355 1
1 433 . 6 1 1 A 40 40 VAL CB C 40 32.500 33.919 -1.419 1
1 436 . 6 1 1 A 40 40 VAL N N 40 130.800 127.030 3.770 1
1 437 . 6 1 1 A 41 41 PRO HA H 41 4.580 4.655 -0.075 1
1 444 . 6 1 1 A 41 41 PRO C C 41 177.700 177.437 0.263 1
1 445 . 6 1 1 A 41 41 PRO CA C 41 62.800 62.455 0.345 1
1 446 . 6 1 1 A 41 41 PRO CB C 41 32.300 32.643 -0.343 1
1 449 . 6 1 1 A 42 42 ARG H H 42 8.640 8.663 -0.023 1
1 450 . 6 1 1 A 42 42 ARG HA H 42 1.890 1.890 0.000 1
1 458 . 6 1 1 A 42 42 ARG C C 42 178.800 177.609 1.191 1
1 459 . 6 1 1 A 42 42 ARG CA C 42 58.100 58.377 -0.277 1
1 460 . 6 1 1 A 42 42 ARG CB C 42 29.600 29.666 -0.066 1
1 462 . 6 1 1 A 42 42 ARG N N 42 124.000 123.118 0.882 1
1 464 . 6 1 1 A 43 43 GLY H H 43 8.690 7.948 0.742 1
1 465 . 6 1 1 A 43 43 GLY HA2 H 43 3.770 3.834 -0.064 1
1 466 . 6 1 1 A 43 43 GLY HA3 H 43 3.870 3.853 0.017 1
1 467 . 6 1 1 A 43 43 GLY C C 43 174.600 174.667 -0.067 1
1 468 . 6 1 1 A 43 43 GLY CA C 43 45.800 45.905 -0.105 1
1 469 . 6 1 1 A 43 43 GLY N N 43 106.000 106.450 -0.450 1
1 470 . 6 1 1 A 44 44 LYS H H 44 8.260 7.841 0.419 1
1 471 . 6 1 1 A 44 44 LYS HA H 44 4.840 4.523 0.317 1
1 480 . 6 1 1 A 44 44 LYS C C 44 179.200 177.483 1.717 1
1 481 . 6 1 1 A 44 44 LYS CA C 44 54.500 55.904 -1.404 1
1 482 . 6 1 1 A 44 44 LYS CB C 44 32.900 33.191 -0.291 1
1 486 . 6 1 1 A 44 44 LYS N N 44 115.900 118.893 -2.993 1
1 487 . 6 1 1 A 45 45 TRP H H 45 8.120 7.854 0.266 1
1 488 . 6 1 1 A 45 45 TRP HA H 45 4.350 4.436 -0.086 1
1 497 . 6 1 1 A 45 45 TRP C C 45 178.400 178.281 0.119 1
1 498 . 6 1 1 A 45 45 TRP CA C 45 60.500 59.731 0.769 1
1 499 . 6 1 1 A 45 45 TRP CB C 45 28.500 29.151 -0.651 1
1 505 . 6 1 1 A 45 45 TRP N N 45 124.800 120.201 4.599 1
1 507 . 6 1 1 A 46 46 ASP H H 46 8.950 8.451 0.499 1
1 508 . 6 1 1 A 46 46 ASP HA H 46 4.460 4.414 0.046 1
1 511 . 6 1 1 A 46 46 ASP C C 46 176.800 177.773 -0.973 1
1 512 . 6 1 1 A 46 46 ASP CA C 46 56.900 57.616 -0.716 1
1 513 . 6 1 1 A 46 46 ASP CB C 46 40.400 40.994 -0.594 1
1 514 . 6 1 1 A 46 46 ASP N N 46 117.400 120.983 -3.583 1
1 515 . 6 1 1 A 47 47 GLU H H 47 7.530 7.817 -0.287 1
1 516 . 6 1 1 A 47 47 GLU HA H 47 4.580 4.433 0.147 1
1 521 . 6 1 1 A 47 47 GLU C C 47 175.500 175.226 0.274 1
1 522 . 6 1 1 A 47 47 GLU CA C 47 55.300 56.535 -1.235 1
1 523 . 6 1 1 A 47 47 GLU CB C 47 30.800 30.483 0.317 1
1 525 . 6 1 1 A 47 47 GLU N N 47 114.500 116.207 -1.707 1
1 526 . 6 1 1 A 48 48 THR H H 48 7.230 7.701 -0.471 1
1 527 . 6 1 1 A 48 48 THR HA H 48 4.700 4.517 0.183 1
1 532 . 6 1 1 A 48 48 THR CA C 48 60.800 59.301 1.499 1
1 533 . 6 1 1 A 48 48 THR CB C 48 70.100 69.699 0.401 1
1 534 . 6 1 1 A 48 48 THR N N 48 119.900 115.999 3.901 1
1 535 . 6 1 1 A 49 49 PRO HA H 49 4.890 4.768 0.122 1
1 542 . 6 1 1 A 49 49 PRO C C 49 175.400 175.167 0.233 1
1 543 . 6 1 1 A 49 49 PRO CA C 49 62.100 62.292 -0.192 1
1 544 . 6 1 1 A 49 49 PRO CB C 49 32.900 32.620 0.280 1
1 547 . 6 1 1 A 50 50 VAL H H 50 6.960 8.073 -1.113 1
1 548 . 6 1 1 A 50 50 VAL HA H 50 4.030 4.721 -0.691 1
1 556 . 6 1 1 A 50 50 VAL C C 50 173.800 174.582 -0.782 1
1 557 . 6 1 1 A 50 50 VAL CA C 50 61.400 60.447 0.953 1
1 558 . 6 1 1 A 50 50 VAL CB C 50 33.900 33.974 -0.074 1
1 561 . 6 1 1 A 50 50 VAL N N 50 119.400 120.199 -0.799 1
1 562 . 6 1 1 A 51 51 THR H H 51 8.940 9.126 -0.186 1
1 563 . 6 1 1 A 51 51 THR HA H 51 4.460 4.821 -0.361 1
1 568 . 6 1 1 A 51 51 THR C C 51 172.300 173.840 -1.540 1
1 569 . 6 1 1 A 51 51 THR CA C 51 60.600 61.144 -0.544 1
1 570 . 6 1 1 A 51 51 THR CB C 51 71.000 70.854 0.146 1
1 571 . 6 1 1 A 51 51 THR N N 51 122.600 124.294 -1.694 1
1 572 . 6 1 1 A 52 52 ALA H H 52 8.150 8.604 -0.454 1
1 573 . 6 1 1 A 52 52 ALA HA H 52 3.940 3.954 -0.014 1
1 577 . 6 1 1 A 52 52 ALA C C 52 179.100 178.083 1.017 1
1 578 . 6 1 1 A 52 52 ALA CA C 52 53.700 53.774 -0.074 1
1 579 . 6 1 1 A 52 52 ALA CB C 52 18.200 18.350 -0.150 1
1 580 . 6 1 1 A 52 52 ALA N N 52 125.400 129.211 -3.811 1
1 581 . 6 1 1 A 53 53 GLY H H 53 9.160 8.916 0.244 1
1 582 . 6 1 1 A 53 53 GLY HA2 H 53 3.670 4.001 -0.331 1
1 583 . 6 1 1 A 53 53 GLY HA3 H 53 4.310 4.003 0.307 1
1 584 . 6 1 1 A 53 53 GLY C C 53 174.900 174.100 0.800 1
1 585 . 6 1 1 A 53 53 GLY CA C 53 44.700 44.960 -0.260 1
1 586 . 6 1 1 A 53 53 GLY N N 53 111.000 110.512 0.488 1
1 587 . 6 1 1 A 54 54 ASP H H 54 8.180 7.810 0.370 1
1 588 . 6 1 1 A 54 54 ASP HA H 54 4.700 4.546 0.154 1
1 591 . 6 1 1 A 54 54 ASP C C 54 174.600 175.790 -1.190 1
1 592 . 6 1 1 A 54 54 ASP CA C 54 56.100 54.263 1.837 1
1 593 . 6 1 1 A 54 54 ASP CB C 54 41.800 41.528 0.272 1
1 594 . 6 1 1 A 54 54 ASP N N 54 122.700 122.103 0.597 1
1 595 . 6 1 1 A 55 55 GLU H H 55 8.160 8.648 -0.488 1
1 596 . 6 1 1 A 55 55 GLU HA H 55 4.730 4.553 0.177 1
1 601 . 6 1 1 A 55 55 GLU C C 55 175.000 175.934 -0.934 1
1 602 . 6 1 1 A 55 55 GLU CA C 55 55.100 56.136 -1.036 1
1 603 . 6 1 1 A 55 55 GLU CB C 55 30.500 30.191 0.309 1
1 605 . 6 1 1 A 55 55 GLU N N 55 118.800 123.471 -4.671 1
1 606 . 6 1 1 A 56 56 ILE H H 56 9.320 8.988 0.332 1
1 607 . 6 1 1 A 56 56 ILE HA H 56 4.950 5.008 -0.058 1
1 617 . 6 1 1 A 56 56 ILE C C 56 175.100 174.967 0.133 1
1 618 . 6 1 1 A 56 56 ILE CA C 56 59.800 59.781 0.019 1
1 619 . 6 1 1 A 56 56 ILE CB C 56 40.200 40.565 -0.365 1
1 623 . 6 1 1 A 56 56 ILE N N 56 127.400 125.540 1.860 1
1 624 . 6 1 1 A 57 57 GLU H H 57 9.170 8.634 0.536 1
1 625 . 6 1 1 A 57 57 GLU HA H 57 5.000 5.188 -0.188 1
1 630 . 6 1 1 A 57 57 GLU C C 57 174.100 175.096 -0.996 1
1 631 . 6 1 1 A 57 57 GLU CA C 57 54.400 54.483 -0.083 1
1 632 . 6 1 1 A 57 57 GLU CB C 57 32.900 33.613 -0.713 1
1 634 . 6 1 1 A 57 57 GLU N N 57 129.600 125.372 4.228 1
1 635 . 6 1 1 A 58 58 ILE H H 58 9.500 8.946 0.554 1
1 636 . 6 1 1 A 58 58 ILE HA H 58 4.610 4.843 -0.233 1
1 646 . 6 1 1 A 58 58 ILE C C 58 175.900 174.417 1.483 1
1 647 . 6 1 1 A 58 58 ILE CA C 58 59.900 59.222 0.678 1
1 648 . 6 1 1 A 58 58 ILE CB C 58 37.800 38.984 -1.184 1
1 652 . 6 1 1 A 58 58 ILE N N 58 126.500 124.258 2.242 1
1 653 . 6 1 1 A 59 59 LEU H H 59 9.150 8.827 0.323 1
1 654 . 6 1 1 A 59 59 LEU HA H 59 4.840 5.159 -0.319 1
1 663 . 6 1 1 A 59 59 LEU C C 59 175.800 176.116 -0.316 1
1 664 . 6 1 1 A 59 59 LEU CA C 59 53.800 53.543 0.257 1
1 665 . 6 1 1 A 59 59 LEU CB C 59 44.300 43.393 0.907 1
1 668 . 6 1 1 A 59 59 LEU N N 59 129.800 127.933 1.867 1
1 669 . 6 1 1 A 60 60 THR H H 60 8.470 8.348 0.122 1
1 673 . 6 1 1 A 60 60 THR CA C 60 58.200 58.397 -0.197 1
1 674 . 6 1 1 A 60 60 THR CB C 60 69.900 70.126 -0.226 1
1 676 . 6 1 1 A 60 60 THR N N 60 114.300 115.584 -1.284 1
1 677 . 6 1 1 A 61 61 PRO HA H 61 4.400 4.398 0.002 1
1 680 . 6 1 1 A 61 61 PRO CA C 61 63.200 66.214 -3.014 1
1 681 . 6 1 1 A 61 61 PRO CB C 61 32.100 31.542 0.558 1
1 682 . 6 1 1 A 62 62 ARG HA H 62 4.260 4.043 0.217 1
1 689 . 6 1 1 A 62 62 ARG C C 62 176.500 175.713 0.787 1
1 690 . 6 1 1 A 62 62 ARG CA C 62 56.500 57.422 -0.922 1
1 691 . 6 1 1 A 62 62 ARG CB C 62 30.500 27.160 3.340 1
1 694 . 6 1 1 A 63 63 GLN H H 63 8.500 7.912 0.588 1
1 695 . 6 1 1 A 63 63 GLN HA H 63 4.250 4.171 0.079 1
1 702 . 6 1 1 A 63 63 GLN C C 63 176.400 177.157 -0.757 1
1 703 . 6 1 1 A 63 63 GLN CA C 63 56.000 58.520 -2.520 1
1 704 . 6 1 1 A 63 63 GLN CB C 63 29.200 29.286 -0.086 1
1 706 . 6 1 1 A 63 63 GLN N N 63 121.700 117.619 4.081 1
1 708 . 6 1 1 A 64 64 GLY H H 64 8.330 8.028 0.302 1
1 709 . 6 1 1 A 64 64 GLY HA2 H 64 3.940 4.133 -0.193 1
1 710 . 6 1 1 A 64 64 GLY HA3 H 64 3.940 4.219 -0.279 1
1 711 . 6 1 1 A 64 64 GLY C C 64 174.500 173.411 1.089 1
1 712 . 6 1 1 A 64 64 GLY CA C 64 45.300 45.125 0.175 1
1 713 . 6 1 1 A 64 64 GLY N N 64 110.100 107.624 2.476 1
1 714 . 6 1 1 A 65 65 GLY H H 65 8.260 8.415 -0.155 1
1 715 . 6 1 1 A 65 65 GLY HA2 H 65 3.940 3.823 0.117 1
1 716 . 6 1 1 A 65 65 GLY HA3 H 65 3.940 3.924 0.016 1
1 717 . 6 1 1 A 65 65 GLY C C 65 174.200 174.868 -0.668 1
1 718 . 6 1 1 A 65 65 GLY CA C 65 45.200 45.196 0.004 1
1 719 . 6 1 1 A 65 65 GLY N N 65 108.500 109.221 -0.721 1
1 720 . 6 1 1 A 66 66 LEU H H 66 8.200 8.710 -0.510 1
1 721 . 6 1 1 A 66 66 LEU HA H 66 4.250 3.977 0.273 1
1 730 . 6 1 1 A 66 66 LEU C C 66 177.400 177.690 -0.290 1
1 731 . 6 1 1 A 66 66 LEU CA C 66 55.200 56.920 -1.720 1
1 732 . 6 1 1 A 66 66 LEU CB C 66 42.300 40.993 1.307 1
1 736 . 6 1 1 A 66 66 LEU N N 66 121.200 123.701 -2.501 1
1 737 . 6 1 1 A 67 67 GLU H H 67 8.460 7.894 0.566 1
1 738 . 6 1 1 A 67 67 GLU HA H 67 4.170 4.048 0.122 1
1 743 . 6 1 1 A 67 67 GLU CA C 67 56.500 59.426 -2.926 1
1 744 . 6 1 1 A 67 67 GLU CB C 67 30.000 29.463 0.537 1
1 2 . 7 1 1 A 2 2 LEU H H 2 8.810 8.690 0.120 1
1 3 . 7 1 1 A 2 2 LEU HA H 2 4.930 4.530 0.400 1
1 12 . 7 1 1 A 2 2 LEU C C 2 175.900 176.659 -0.759 1
1 13 . 7 1 1 A 2 2 LEU CA C 2 55.100 54.408 0.692 1
1 14 . 7 1 1 A 2 2 LEU CB C 2 42.600 42.594 0.006 1
1 17 . 7 1 1 A 2 2 LEU N N 2 127.000 121.034 5.966 1
1 18 . 7 1 1 A 3 3 VAL H H 3 8.670 8.762 -0.092 1
1 19 . 7 1 1 A 3 3 VAL HA H 3 4.580 4.827 -0.247 1
1 27 . 7 1 1 A 3 3 VAL C C 3 174.000 174.586 -0.586 1
1 28 . 7 1 1 A 3 3 VAL CA C 3 59.400 59.730 -0.330 1
1 29 . 7 1 1 A 3 3 VAL CB C 3 35.500 34.410 1.090 1
1 32 . 7 1 1 A 3 3 VAL N N 3 119.900 119.359 0.541 1
1 33 . 7 1 1 A 4 4 THR H H 4 8.310 8.882 -0.572 1
1 34 . 7 1 1 A 4 4 THR HA H 4 4.850 4.814 0.036 1
1 39 . 7 1 1 A 4 4 THR C C 4 173.600 174.141 -0.541 1
1 40 . 7 1 1 A 4 4 THR CA C 4 61.700 62.282 -0.582 1
1 41 . 7 1 1 A 4 4 THR CB C 4 69.500 69.194 0.306 1
1 43 . 7 1 1 A 4 4 THR N N 4 116.000 120.664 -4.664 1
1 44 . 7 1 1 A 5 5 ILE H H 5 9.060 9.360 -0.300 1
1 45 . 7 1 1 A 5 5 ILE HA H 5 4.830 4.816 0.014 1
1 55 . 7 1 1 A 5 5 ILE C C 5 176.100 175.856 0.244 1
1 56 . 7 1 1 A 5 5 ILE CA C 5 59.400 60.261 -0.861 1
1 57 . 7 1 1 A 5 5 ILE CB C 5 39.300 39.258 0.042 1
1 61 . 7 1 1 A 5 5 ILE N N 5 125.000 127.336 -2.336 1
1 62 . 7 1 1 A 6 6 ASN H H 6 9.480 9.228 0.252 1
1 63 . 7 1 1 A 6 6 ASN HA H 6 4.510 4.472 0.038 1
1 68 . 7 1 1 A 6 6 ASN C C 6 175.700 175.577 0.123 1
1 69 . 7 1 1 A 6 6 ASN CA C 6 54.100 54.702 -0.602 1
1 70 . 7 1 1 A 6 6 ASN CB C 6 36.100 37.288 -1.188 1
1 71 . 7 1 1 A 6 6 ASN N N 6 129.500 127.920 1.580 1
1 73 . 7 1 1 A 7 7 GLY H H 7 8.860 8.645 0.215 1
1 74 . 7 1 1 A 7 7 GLY HA2 H 7 3.560 3.867 -0.307 1
1 75 . 7 1 1 A 7 7 GLY HA3 H 7 4.180 3.868 0.312 1
1 76 . 7 1 1 A 7 7 GLY C C 7 173.500 173.763 -0.263 1
1 77 . 7 1 1 A 7 7 GLY CA C 7 45.300 45.435 -0.135 1
1 78 . 7 1 1 A 7 7 GLY N N 7 102.200 103.952 -1.752 1
1 79 . 7 1 1 A 8 8 GLU H H 8 7.790 8.300 -0.510 1
1 80 . 7 1 1 A 8 8 GLU HA H 8 4.690 4.725 -0.035 1
1 85 . 7 1 1 A 8 8 GLU C C 8 175.300 175.584 -0.284 1
1 86 . 7 1 1 A 8 8 GLU CA C 8 54.200 54.799 -0.599 1
1 87 . 7 1 1 A 8 8 GLU CB C 8 32.300 32.856 -0.556 1
1 89 . 7 1 1 A 8 8 GLU N N 8 120.900 120.461 0.439 1
1 90 . 7 1 1 A 9 9 GLN H H 9 8.940 8.610 0.330 1
1 91 . 7 1 1 A 9 9 GLN HA H 9 4.770 4.748 0.022 1
1 96 . 7 1 1 A 9 9 GLN C C 9 176.000 175.268 0.732 1
1 97 . 7 1 1 A 9 9 GLN CA C 9 56.900 56.047 0.853 1
1 98 . 7 1 1 A 9 9 GLN CB C 9 29.300 28.995 0.305 1
1 100 . 7 1 1 A 9 9 GLN N N 9 125.800 123.214 2.586 1
1 101 . 7 1 1 A 10 10 ARG H H 10 9.230 8.729 0.501 1
1 102 . 7 1 1 A 10 10 ARG HA H 10 4.580 4.809 -0.229 1
1 110 . 7 1 1 A 10 10 ARG C C 10 173.300 173.504 -0.204 1
1 111 . 7 1 1 A 10 10 ARG CA C 10 54.400 54.796 -0.396 1
1 112 . 7 1 1 A 10 10 ARG CB C 10 34.400 34.622 -0.222 1
1 115 . 7 1 1 A 10 10 ARG N N 10 125.200 123.776 1.424 1
1 117 . 7 1 1 A 11 11 GLU H H 11 8.380 8.958 -0.578 1
1 118 . 7 1 1 A 11 11 GLU HA H 11 4.860 5.073 -0.213 1
1 123 . 7 1 1 A 11 11 GLU C C 11 176.900 175.577 1.323 1
1 124 . 7 1 1 A 11 11 GLU CA C 11 54.800 55.263 -0.463 1
1 125 . 7 1 1 A 11 11 GLU CB C 11 30.000 32.207 -2.207 1
1 127 . 7 1 1 A 11 11 GLU N N 11 123.300 125.452 -2.152 1
1 128 . 7 1 1 A 12 12 VAL H H 12 9.070 8.933 0.137 1
1 129 . 7 1 1 A 12 12 VAL HA H 12 4.870 4.720 0.150 1
1 137 . 7 1 1 A 12 12 VAL C C 12 175.200 175.175 0.025 1
1 138 . 7 1 1 A 12 12 VAL CA C 12 58.600 58.926 -0.326 1
1 139 . 7 1 1 A 12 12 VAL CB C 12 34.400 35.139 -0.739 1
1 142 . 7 1 1 A 12 12 VAL N N 12 119.600 120.449 -0.849 1
1 143 . 7 1 1 A 13 13 GLN H H 13 10.260 8.684 1.576 1
1 144 . 7 1 1 A 13 13 GLN HA H 13 4.550 4.502 0.048 1
1 149 . 7 1 1 A 13 13 GLN C C 13 177.700 175.703 1.997 1
1 150 . 7 1 1 A 13 13 GLN CA C 13 55.200 55.740 -0.540 1
1 151 . 7 1 1 A 13 13 GLN CB C 13 30.000 29.451 0.549 1
1 152 . 7 1 1 A 13 13 GLN N N 13 120.900 120.779 0.121 1
1 153 . 7 1 1 A 14 14 SER H H 14 8.190 7.719 0.471 1
1 154 . 7 1 1 A 14 14 SER HA H 14 4.100 4.364 -0.264 1
1 157 . 7 1 1 A 14 14 SER C C 14 171.700 174.638 -2.938 1
1 158 . 7 1 1 A 14 14 SER CA C 14 61.000 57.909 3.091 1
1 159 . 7 1 1 A 14 14 SER CB C 14 65.300 64.225 1.075 1
1 160 . 7 1 1 A 14 14 SER N N 14 118.500 114.917 3.583 1
1 161 . 7 1 1 A 15 15 ALA H H 15 8.320 8.765 -0.445 1
1 162 . 7 1 1 A 15 15 ALA HA H 15 4.610 4.670 -0.060 1
1 166 . 7 1 1 A 15 15 ALA C C 15 177.900 177.013 0.887 1
1 167 . 7 1 1 A 15 15 ALA CA C 15 51.200 51.408 -0.208 1
1 168 . 7 1 1 A 15 15 ALA CB C 15 20.100 20.447 -0.347 1
1 169 . 7 1 1 A 15 15 ALA N N 15 118.500 123.348 -4.848 1
1 170 . 7 1 1 A 16 16 SER H H 16 7.480 7.669 -0.189 1
1 171 . 7 1 1 A 16 16 SER HA H 16 5.390 4.602 0.788 1
1 174 . 7 1 1 A 16 16 SER C C 16 174.600 173.500 1.100 1
1 175 . 7 1 1 A 16 16 SER CA C 16 55.600 56.985 -1.385 1
1 176 . 7 1 1 A 16 16 SER CB C 16 67.400 64.836 2.564 1
1 177 . 7 1 1 A 16 16 SER N N 16 112.400 111.962 0.438 1
1 178 . 7 1 1 A 17 17 VAL H H 17 8.810 8.619 0.191 1
1 179 . 7 1 1 A 17 17 VAL HA H 17 3.120 3.454 -0.334 1
1 187 . 7 1 1 A 17 17 VAL C C 17 176.500 177.251 -0.751 1
1 188 . 7 1 1 A 17 17 VAL CA C 17 66.900 66.152 0.748 1
1 189 . 7 1 1 A 17 17 VAL CB C 17 31.300 31.401 -0.101 1
1 192 . 7 1 1 A 17 17 VAL N N 17 122.400 125.787 -3.387 1
1 193 . 7 1 1 A 18 18 ALA H H 18 7.460 8.284 -0.824 1
1 194 . 7 1 1 A 18 18 ALA HA H 18 4.000 4.003 -0.003 1
1 198 . 7 1 1 A 18 18 ALA C C 18 179.600 179.427 0.173 1
1 199 . 7 1 1 A 18 18 ALA CA C 18 55.300 55.765 -0.465 1
1 200 . 7 1 1 A 18 18 ALA CB C 18 18.800 18.077 0.723 1
1 201 . 7 1 1 A 18 18 ALA N N 18 119.300 122.126 -2.826 1
1 202 . 7 1 1 A 19 19 ALA H H 19 7.620 7.833 -0.213 1
1 203 . 7 1 1 A 19 19 ALA HA H 19 4.130 4.120 0.010 1
1 207 . 7 1 1 A 19 19 ALA C C 19 179.500 180.064 -0.564 1
1 208 . 7 1 1 A 19 19 ALA CA C 19 55.000 55.026 -0.026 1
1 209 . 7 1 1 A 19 19 ALA CB C 19 17.400 17.570 -0.170 1
1 210 . 7 1 1 A 19 19 ALA N N 19 120.000 120.898 -0.898 1
1 211 . 7 1 1 A 20 20 LEU H H 20 8.260 7.991 0.269 1
1 212 . 7 1 1 A 20 20 LEU HA H 20 4.120 4.016 0.104 1
1 221 . 7 1 1 A 20 20 LEU C C 20 177.700 178.365 -0.665 1
1 222 . 7 1 1 A 20 20 LEU CA C 20 57.500 57.741 -0.241 1
1 223 . 7 1 1 A 20 20 LEU CB C 20 42.000 41.612 0.388 1
1 226 . 7 1 1 A 20 20 LEU N N 20 121.900 120.035 1.865 1
1 227 . 7 1 1 A 21 21 MET H H 21 8.020 8.262 -0.242 1
1 228 . 7 1 1 A 21 21 MET HA H 21 4.130 4.111 0.019 1
1 230 . 7 1 1 A 21 21 MET C C 21 179.300 178.245 1.055 1
1 231 . 7 1 1 A 21 21 MET CA C 21 57.000 58.494 -1.494 1
1 232 . 7 1 1 A 21 21 MET CB C 21 30.300 31.842 -1.542 1
1 233 . 7 1 1 A 21 21 MET N N 21 115.800 119.195 -3.395 1
1 234 . 7 1 1 A 22 22 THR H H 22 7.380 7.687 -0.307 1
1 235 . 7 1 1 A 22 22 THR HA H 22 3.950 3.971 -0.021 1
1 240 . 7 1 1 A 22 22 THR C C 22 177.300 176.870 0.430 1
1 241 . 7 1 1 A 22 22 THR CA C 22 66.600 67.334 -0.734 1
1 242 . 7 1 1 A 22 22 THR CB C 22 68.200 68.186 0.014 1
1 244 . 7 1 1 A 22 22 THR N N 22 116.500 115.445 1.055 1
1 245 . 7 1 1 A 23 23 GLU H H 23 8.650 8.058 0.592 1
1 246 . 7 1 1 A 23 23 GLU HA H 23 3.960 4.007 -0.047 1
1 251 . 7 1 1 A 23 23 GLU C C 23 177.900 178.196 -0.296 1
1 252 . 7 1 1 A 23 23 GLU CA C 23 59.500 59.211 0.289 1
1 253 . 7 1 1 A 23 23 GLU CB C 23 29.600 29.212 0.388 1
1 255 . 7 1 1 A 23 23 GLU N N 23 128.000 120.375 7.625 1
1 256 . 7 1 1 A 24 24 LEU H H 24 8.140 7.947 0.193 1
1 257 . 7 1 1 A 24 24 LEU HA H 24 4.200 4.270 -0.070 1
1 266 . 7 1 1 A 24 24 LEU C C 24 175.800 175.722 0.078 1
1 267 . 7 1 1 A 24 24 LEU CA C 24 54.200 54.819 -0.619 1
1 268 . 7 1 1 A 24 24 LEU CB C 24 41.900 41.717 0.183 1
1 271 . 7 1 1 A 24 24 LEU N N 24 115.900 117.966 -2.066 1
1 272 . 7 1 1 A 25 25 ASP H H 25 7.980 8.123 -0.143 1
1 273 . 7 1 1 A 25 25 ASP HA H 25 4.440 4.319 0.121 1
1 276 . 7 1 1 A 25 25 ASP C C 25 175.800 175.783 0.017 1
1 277 . 7 1 1 A 25 25 ASP CA C 25 55.200 55.384 -0.184 1
1 278 . 7 1 1 A 25 25 ASP CB C 25 39.400 38.864 0.536 1
1 279 . 7 1 1 A 25 25 ASP N N 25 118.400 116.098 2.302 1
1 280 . 7 1 1 A 26 26 CYS H H 26 8.510 7.696 0.814 1
1 281 . 7 1 1 A 26 26 CYS HA H 26 4.460 4.113 0.347 1
1 284 . 7 1 1 A 26 26 CYS C C 26 174.300 175.287 -0.987 1
1 285 . 7 1 1 A 26 26 CYS CA C 26 58.500 62.985 -4.485 1
1 286 . 7 1 1 A 26 26 CYS CB C 26 27.100 27.696 -0.596 1
1 287 . 7 1 1 A 26 26 CYS N N 26 117.000 116.896 0.104 1
1 288 . 7 1 1 A 27 27 THR H H 27 7.810 7.897 -0.087 1
1 289 . 7 1 1 A 27 27 THR HA H 27 4.450 4.435 0.015 1
1 291 . 7 1 1 A 27 27 THR CA C 27 62.200 63.953 -1.753 1
1 292 . 7 1 1 A 27 27 THR CB C 27 69.400 67.728 1.672 1
1 293 . 7 1 1 A 27 27 THR N N 27 107.800 112.785 -4.985 1
1 294 . 7 1 1 A 29 29 GLY H H 29 8.440 8.551 -0.111 1
1 295 . 7 1 1 A 29 29 GLY HA2 H 29 3.890 4.256 -0.366 1
1 296 . 7 1 1 A 29 29 GLY HA3 H 29 3.970 4.371 -0.401 1
1 297 . 7 1 1 A 29 29 GLY C C 29 173.800 173.900 -0.100 1
1 298 . 7 1 1 A 29 29 GLY CA C 29 45.800 45.740 0.060 1
1 299 . 7 1 1 A 29 29 GLY N N 29 108.100 109.935 -1.835 1
1 300 . 7 1 1 A 30 30 HIS H H 30 8.210 8.700 -0.490 1
1 301 . 7 1 1 A 30 30 HIS HA H 30 4.650 4.144 0.506 1
1 305 . 7 1 1 A 30 30 HIS C C 30 173.500 173.592 -0.092 1
1 306 . 7 1 1 A 30 30 HIS CA C 30 55.600 56.787 -1.187 1
1 307 . 7 1 1 A 30 30 HIS CB C 30 28.700 28.956 -0.256 1
1 309 . 7 1 1 A 30 30 HIS N N 30 117.300 121.346 -4.046 1
1 310 . 7 1 1 A 31 31 PHE H H 31 7.520 8.001 -0.481 1
1 311 . 7 1 1 A 31 31 PHE HA H 31 5.050 4.673 0.377 1
1 316 . 7 1 1 A 31 31 PHE C C 31 175.200 175.353 -0.153 1
1 317 . 7 1 1 A 31 31 PHE CA C 31 58.000 57.197 0.803 1
1 318 . 7 1 1 A 31 31 PHE CB C 31 41.200 41.078 0.122 1
1 321 . 7 1 1 A 31 31 PHE N N 31 117.000 119.680 -2.680 1
1 322 . 7 1 1 A 32 32 ALA H H 32 9.010 8.864 0.146 1
1 323 . 7 1 1 A 32 32 ALA HA H 32 5.010 5.335 -0.325 1
1 327 . 7 1 1 A 32 32 ALA C C 32 174.800 175.966 -1.166 1
1 328 . 7 1 1 A 32 32 ALA CA C 32 50.400 51.370 -0.970 1
1 329 . 7 1 1 A 32 32 ALA CB C 32 22.500 23.738 -1.238 1
1 330 . 7 1 1 A 32 32 ALA N N 32 123.800 121.964 1.836 1
1 331 . 7 1 1 A 33 33 VAL H H 33 9.350 8.824 0.526 1
1 332 . 7 1 1 A 33 33 VAL HA H 33 5.130 5.080 0.050 1
1 340 . 7 1 1 A 33 33 VAL C C 33 172.400 174.347 -1.947 1
1 341 . 7 1 1 A 33 33 VAL CA C 33 59.700 59.155 0.545 1
1 342 . 7 1 1 A 33 33 VAL CB C 33 35.000 35.705 -0.705 1
1 345 . 7 1 1 A 33 33 VAL N N 33 120.200 113.557 6.643 1
1 346 . 7 1 1 A 34 34 ALA H H 34 9.100 8.483 0.617 1
1 347 . 7 1 1 A 34 34 ALA HA H 34 5.130 5.453 -0.323 1
1 351 . 7 1 1 A 34 34 ALA C C 34 174.900 175.033 -0.133 1
1 352 . 7 1 1 A 34 34 ALA CA C 34 49.600 50.581 -0.981 1
1 353 . 7 1 1 A 34 34 ALA CB C 34 21.200 22.748 -1.548 1
1 354 . 7 1 1 A 34 34 ALA N N 34 127.800 123.812 3.988 1
1 355 . 7 1 1 A 35 35 LEU H H 35 8.680 9.091 -0.411 1
1 356 . 7 1 1 A 35 35 LEU HA H 35 4.750 4.801 -0.051 1
1 366 . 7 1 1 A 35 35 LEU C C 35 175.700 175.760 -0.060 1
1 367 . 7 1 1 A 35 35 LEU CA C 35 53.200 53.893 -0.693 1
1 368 . 7 1 1 A 35 35 LEU CB C 35 45.600 44.666 0.934 1
1 372 . 7 1 1 A 35 35 LEU N N 35 125.000 124.147 0.853 1
1 373 . 7 1 1 A 36 36 ASN H H 36 9.960 8.960 1.000 1
1 374 . 7 1 1 A 36 36 ASN HA H 36 3.890 4.465 -0.575 1
1 379 . 7 1 1 A 36 36 ASN C C 36 174.500 175.093 -0.593 1
1 380 . 7 1 1 A 36 36 ASN CA C 36 54.900 54.711 0.189 1
1 381 . 7 1 1 A 36 36 ASN CB C 36 36.800 37.063 -0.263 1
1 382 . 7 1 1 A 36 36 ASN N N 36 127.300 126.174 1.126 1
1 384 . 7 1 1 A 37 37 TYR H H 37 8.750 8.647 0.103 1
1 385 . 7 1 1 A 37 37 TYR HA H 37 3.720 4.226 -0.506 1
1 392 . 7 1 1 A 37 37 TYR C C 37 174.100 174.312 -0.212 1
1 393 . 7 1 1 A 37 37 TYR CA C 37 59.900 58.897 1.003 1
1 394 . 7 1 1 A 37 37 TYR CB C 37 35.300 37.023 -1.723 1
1 399 . 7 1 1 A 37 37 TYR N N 37 107.500 116.123 -8.623 1
1 400 . 7 1 1 A 38 38 ASP H H 38 7.590 7.751 -0.161 1
1 401 . 7 1 1 A 38 38 ASP HA H 38 5.090 4.820 0.270 1
1 404 . 7 1 1 A 38 38 ASP C C 38 175.400 174.506 0.894 1
1 405 . 7 1 1 A 38 38 ASP CA C 38 53.100 53.638 -0.538 1
1 406 . 7 1 1 A 38 38 ASP CB C 38 42.900 44.124 -1.224 1
1 407 . 7 1 1 A 38 38 ASP N N 38 119.900 119.284 0.616 1
1 408 . 7 1 1 A 39 39 VAL H H 39 8.590 8.691 -0.101 1
1 409 . 7 1 1 A 39 39 VAL HA H 39 4.220 4.382 -0.162 1
1 417 . 7 1 1 A 39 39 VAL C C 39 176.600 175.377 1.223 1
1 418 . 7 1 1 A 39 39 VAL CA C 39 63.600 62.921 0.679 1
1 419 . 7 1 1 A 39 39 VAL CB C 39 31.700 31.980 -0.280 1
1 422 . 7 1 1 A 39 39 VAL N N 39 124.300 126.171 -1.871 1
1 423 . 7 1 1 A 40 40 VAL H H 40 8.970 8.535 0.435 1
1 424 . 7 1 1 A 40 40 VAL HA H 40 4.600 4.597 0.003 1
1 432 . 7 1 1 A 40 40 VAL CA C 40 59.100 58.671 0.429 1
1 433 . 7 1 1 A 40 40 VAL CB C 40 32.500 33.584 -1.084 1
1 436 . 7 1 1 A 40 40 VAL N N 40 130.800 127.062 3.738 1
1 437 . 7 1 1 A 41 41 PRO HA H 41 4.580 4.649 -0.069 1
1 444 . 7 1 1 A 41 41 PRO C C 41 177.700 177.129 0.571 1
1 445 . 7 1 1 A 41 41 PRO CA C 41 62.800 62.444 0.356 1
1 446 . 7 1 1 A 41 41 PRO CB C 41 32.300 32.644 -0.344 1
1 449 . 7 1 1 A 42 42 ARG H H 42 8.640 8.366 0.274 1
1 450 . 7 1 1 A 42 42 ARG HA H 42 1.890 2.080 -0.190 1
1 458 . 7 1 1 A 42 42 ARG C C 42 178.800 176.921 1.879 1
1 459 . 7 1 1 A 42 42 ARG CA C 42 58.100 57.857 0.243 1
1 460 . 7 1 1 A 42 42 ARG CB C 42 29.600 29.264 0.336 1
1 462 . 7 1 1 A 42 42 ARG N N 42 124.000 121.982 2.018 1
1 464 . 7 1 1 A 43 43 GLY H H 43 8.690 8.040 0.650 1
1 465 . 7 1 1 A 43 43 GLY HA2 H 43 3.770 3.868 -0.098 1
1 466 . 7 1 1 A 43 43 GLY HA3 H 43 3.870 3.890 -0.020 1
1 467 . 7 1 1 A 43 43 GLY C C 43 174.600 174.413 0.187 1
1 468 . 7 1 1 A 43 43 GLY CA C 43 45.800 45.636 0.164 1
1 469 . 7 1 1 A 43 43 GLY N N 43 106.000 107.993 -1.993 1
1 470 . 7 1 1 A 44 44 LYS H H 44 8.260 7.861 0.399 1
1 471 . 7 1 1 A 44 44 LYS HA H 44 4.840 4.527 0.313 1
1 480 . 7 1 1 A 44 44 LYS C C 44 179.200 177.162 2.038 1
1 481 . 7 1 1 A 44 44 LYS CA C 44 54.500 55.890 -1.390 1
1 482 . 7 1 1 A 44 44 LYS CB C 44 32.900 32.894 0.006 1
1 486 . 7 1 1 A 44 44 LYS N N 44 115.900 117.891 -1.991 1
1 487 . 7 1 1 A 45 45 TRP H H 45 8.120 7.778 0.342 1
1 488 . 7 1 1 A 45 45 TRP HA H 45 4.350 4.386 -0.036 1
1 497 . 7 1 1 A 45 45 TRP C C 45 178.400 178.738 -0.338 1
1 498 . 7 1 1 A 45 45 TRP CA C 45 60.500 60.081 0.419 1
1 499 . 7 1 1 A 45 45 TRP CB C 45 28.500 29.797 -1.297 1
1 505 . 7 1 1 A 45 45 TRP N N 45 124.800 120.548 4.252 1
1 507 . 7 1 1 A 46 46 ASP H H 46 8.950 8.599 0.351 1
1 508 . 7 1 1 A 46 46 ASP HA H 46 4.460 4.526 -0.066 1
1 511 . 7 1 1 A 46 46 ASP C C 46 176.800 177.638 -0.838 1
1 512 . 7 1 1 A 46 46 ASP CA C 46 56.900 56.969 -0.069 1
1 513 . 7 1 1 A 46 46 ASP CB C 46 40.400 40.664 -0.264 1
1 514 . 7 1 1 A 46 46 ASP N N 46 117.400 118.476 -1.076 1
1 515 . 7 1 1 A 47 47 GLU H H 47 7.530 7.863 -0.333 1
1 516 . 7 1 1 A 47 47 GLU HA H 47 4.580 4.443 0.137 1
1 521 . 7 1 1 A 47 47 GLU C C 47 175.500 174.941 0.559 1
1 522 . 7 1 1 A 47 47 GLU CA C 47 55.300 56.136 -0.836 1
1 523 . 7 1 1 A 47 47 GLU CB C 47 30.800 30.419 0.381 1
1 525 . 7 1 1 A 47 47 GLU N N 47 114.500 117.127 -2.627 1
1 526 . 7 1 1 A 48 48 THR H H 48 7.230 7.491 -0.261 1
1 527 . 7 1 1 A 48 48 THR HA H 48 4.700 4.628 0.072 1
1 532 . 7 1 1 A 48 48 THR CA C 48 60.800 59.262 1.538 1
1 533 . 7 1 1 A 48 48 THR CB C 48 70.100 69.651 0.449 1
1 534 . 7 1 1 A 48 48 THR N N 48 119.900 115.613 4.287 1
1 535 . 7 1 1 A 49 49 PRO HA H 49 4.890 4.789 0.101 1
1 542 . 7 1 1 A 49 49 PRO C C 49 175.400 175.661 -0.261 1
1 543 . 7 1 1 A 49 49 PRO CA C 49 62.100 62.372 -0.272 1
1 544 . 7 1 1 A 49 49 PRO CB C 49 32.900 32.469 0.431 1
1 547 . 7 1 1 A 50 50 VAL H H 50 6.960 8.495 -1.535 1
1 548 . 7 1 1 A 50 50 VAL HA H 50 4.030 4.770 -0.740 1
1 556 . 7 1 1 A 50 50 VAL C C 50 173.800 174.780 -0.980 1
1 557 . 7 1 1 A 50 50 VAL CA C 50 61.400 60.377 1.023 1
1 558 . 7 1 1 A 50 50 VAL CB C 50 33.900 34.482 -0.582 1
1 561 . 7 1 1 A 50 50 VAL N N 50 119.400 120.173 -0.773 1
1 562 . 7 1 1 A 51 51 THR H H 51 8.940 9.064 -0.124 1
1 563 . 7 1 1 A 51 51 THR HA H 51 4.460 4.874 -0.414 1
1 568 . 7 1 1 A 51 51 THR C C 51 172.300 174.152 -1.852 1
1 569 . 7 1 1 A 51 51 THR CA C 51 60.600 61.372 -0.772 1
1 570 . 7 1 1 A 51 51 THR CB C 51 71.000 70.439 0.561 1
1 571 . 7 1 1 A 51 51 THR N N 51 122.600 124.125 -1.525 1
1 572 . 7 1 1 A 52 52 ALA H H 52 8.150 8.579 -0.429 1
1 573 . 7 1 1 A 52 52 ALA HA H 52 3.940 3.939 0.001 1
1 577 . 7 1 1 A 52 52 ALA C C 52 179.100 178.074 1.026 1
1 578 . 7 1 1 A 52 52 ALA CA C 52 53.700 53.892 -0.192 1
1 579 . 7 1 1 A 52 52 ALA CB C 52 18.200 18.397 -0.197 1
1 580 . 7 1 1 A 52 52 ALA N N 52 125.400 129.418 -4.018 1
1 581 . 7 1 1 A 53 53 GLY H H 53 9.160 8.740 0.420 1
1 582 . 7 1 1 A 53 53 GLY HA2 H 53 3.670 4.030 -0.360 1
1 583 . 7 1 1 A 53 53 GLY HA3 H 53 4.310 4.031 0.279 1
1 584 . 7 1 1 A 53 53 GLY C C 53 174.900 174.728 0.172 1
1 585 . 7 1 1 A 53 53 GLY CA C 53 44.700 45.291 -0.591 1
1 586 . 7 1 1 A 53 53 GLY N N 53 111.000 111.173 -0.173 1
1 587 . 7 1 1 A 54 54 ASP H H 54 8.180 8.063 0.117 1
1 588 . 7 1 1 A 54 54 ASP HA H 54 4.700 4.698 0.002 1
1 591 . 7 1 1 A 54 54 ASP C C 54 174.600 175.755 -1.155 1
1 592 . 7 1 1 A 54 54 ASP CA C 54 56.100 54.641 1.459 1
1 593 . 7 1 1 A 54 54 ASP CB C 54 41.800 41.884 -0.084 1
1 594 . 7 1 1 A 54 54 ASP N N 54 122.700 121.887 0.813 1
1 595 . 7 1 1 A 55 55 GLU H H 55 8.160 8.581 -0.421 1
1 596 . 7 1 1 A 55 55 GLU HA H 55 4.730 4.701 0.029 1
1 601 . 7 1 1 A 55 55 GLU C C 55 175.000 175.560 -0.560 1
1 602 . 7 1 1 A 55 55 GLU CA C 55 55.100 56.204 -1.104 1
1 603 . 7 1 1 A 55 55 GLU CB C 55 30.500 30.544 -0.044 1
1 605 . 7 1 1 A 55 55 GLU N N 55 118.800 120.966 -2.166 1
1 606 . 7 1 1 A 56 56 ILE H H 56 9.320 8.999 0.321 1
1 607 . 7 1 1 A 56 56 ILE HA H 56 4.950 5.050 -0.100 1
1 617 . 7 1 1 A 56 56 ILE C C 56 175.100 175.113 -0.013 1
1 618 . 7 1 1 A 56 56 ILE CA C 56 59.800 59.931 -0.131 1
1 619 . 7 1 1 A 56 56 ILE CB C 56 40.200 40.744 -0.544 1
1 623 . 7 1 1 A 56 56 ILE N N 56 127.400 125.493 1.907 1
1 624 . 7 1 1 A 57 57 GLU H H 57 9.170 8.834 0.336 1
1 625 . 7 1 1 A 57 57 GLU HA H 57 5.000 4.972 0.028 1
1 630 . 7 1 1 A 57 57 GLU C C 57 174.100 175.264 -1.164 1
1 631 . 7 1 1 A 57 57 GLU CA C 57 54.400 54.537 -0.137 1
1 632 . 7 1 1 A 57 57 GLU CB C 57 32.900 32.455 0.445 1
1 634 . 7 1 1 A 57 57 GLU N N 57 129.600 125.978 3.622 1
1 635 . 7 1 1 A 58 58 ILE H H 58 9.500 8.988 0.512 1
1 636 . 7 1 1 A 58 58 ILE HA H 58 4.610 4.738 -0.128 1
1 646 . 7 1 1 A 58 58 ILE C C 58 175.900 175.807 0.093 1
1 647 . 7 1 1 A 58 58 ILE CA C 58 59.900 59.378 0.522 1
1 648 . 7 1 1 A 58 58 ILE CB C 58 37.800 38.993 -1.193 1
1 652 . 7 1 1 A 58 58 ILE N N 58 126.500 125.258 1.242 1
1 653 . 7 1 1 A 59 59 LEU H H 59 9.150 8.502 0.648 1
1 654 . 7 1 1 A 59 59 LEU HA H 59 4.840 4.404 0.436 1
1 663 . 7 1 1 A 59 59 LEU C C 59 175.800 176.693 -0.893 1
1 664 . 7 1 1 A 59 59 LEU CA C 59 53.800 54.773 -0.973 1
1 665 . 7 1 1 A 59 59 LEU CB C 59 44.300 42.304 1.996 1
1 668 . 7 1 1 A 59 59 LEU N N 59 129.800 128.559 1.241 1
1 669 . 7 1 1 A 60 60 THR H H 60 8.470 8.346 0.124 1
1 673 . 7 1 1 A 60 60 THR CA C 60 58.200 58.668 -0.468 1
1 674 . 7 1 1 A 60 60 THR CB C 60 69.900 69.734 0.166 1
1 676 . 7 1 1 A 60 60 THR N N 60 114.300 115.233 -0.933 1
1 677 . 7 1 1 A 61 61 PRO HA H 61 4.400 4.437 -0.037 1
1 680 . 7 1 1 A 61 61 PRO CA C 61 63.200 65.520 -2.320 1
1 681 . 7 1 1 A 61 61 PRO CB C 61 32.100 31.785 0.315 1
1 682 . 7 1 1 A 62 62 ARG HA H 62 4.260 4.172 0.088 1
1 689 . 7 1 1 A 62 62 ARG C C 62 176.500 176.016 0.484 1
1 690 . 7 1 1 A 62 62 ARG CA C 62 56.500 56.879 -0.379 1
1 691 . 7 1 1 A 62 62 ARG CB C 62 30.500 29.271 1.229 1
1 694 . 7 1 1 A 63 63 GLN H H 63 8.500 8.722 -0.222 1
1 695 . 7 1 1 A 63 63 GLN HA H 63 4.250 4.164 0.086 1
1 702 . 7 1 1 A 63 63 GLN C C 63 176.400 176.878 -0.478 1
1 703 . 7 1 1 A 63 63 GLN CA C 63 56.000 58.416 -2.416 1
1 704 . 7 1 1 A 63 63 GLN CB C 63 29.200 28.716 0.484 1
1 706 . 7 1 1 A 63 63 GLN N N 63 121.700 123.236 -1.536 1
1 708 . 7 1 1 A 64 64 GLY H H 64 8.330 8.020 0.310 1
1 709 . 7 1 1 A 64 64 GLY HA2 H 64 3.940 3.920 0.020 1
1 710 . 7 1 1 A 64 64 GLY HA3 H 64 3.940 3.923 0.017 1
1 711 . 7 1 1 A 64 64 GLY C C 64 174.500 175.860 -1.360 1
1 712 . 7 1 1 A 64 64 GLY CA C 64 45.300 45.660 -0.360 1
1 713 . 7 1 1 A 64 64 GLY N N 64 110.100 107.200 2.900 1
1 714 . 7 1 1 A 65 65 GLY H H 65 8.260 8.088 0.172 1
1 715 . 7 1 1 A 65 65 GLY HA2 H 65 3.940 3.950 -0.010 1
1 716 . 7 1 1 A 65 65 GLY HA3 H 65 3.940 3.953 -0.013 1
1 717 . 7 1 1 A 65 65 GLY C C 65 174.200 173.711 0.489 1
1 718 . 7 1 1 A 65 65 GLY CA C 65 45.200 45.602 -0.402 1
1 719 . 7 1 1 A 65 65 GLY N N 65 108.500 107.337 1.163 1
1 720 . 7 1 1 A 66 66 LEU H H 66 8.200 7.825 0.375 1
1 721 . 7 1 1 A 66 66 LEU HA H 66 4.250 4.008 0.242 1
1 730 . 7 1 1 A 66 66 LEU C C 66 177.400 176.524 0.876 1
1 731 . 7 1 1 A 66 66 LEU CA C 66 55.200 55.532 -0.332 1
1 732 . 7 1 1 A 66 66 LEU CB C 66 42.300 40.844 1.456 1
1 736 . 7 1 1 A 66 66 LEU N N 66 121.200 116.897 4.303 1
1 737 . 7 1 1 A 67 67 GLU H H 67 8.460 7.966 0.494 1
1 738 . 7 1 1 A 67 67 GLU HA H 67 4.170 4.018 0.152 1
1 743 . 7 1 1 A 67 67 GLU CA C 67 56.500 58.722 -2.222 1
1 744 . 7 1 1 A 67 67 GLU CB C 67 30.000 29.869 0.131 1
1 2 . 8 1 1 A 2 2 LEU H H 2 8.810 7.735 1.075 1
1 3 . 8 1 1 A 2 2 LEU HA H 2 4.930 4.367 0.563 1
1 12 . 8 1 1 A 2 2 LEU C C 2 175.900 176.325 -0.425 1
1 13 . 8 1 1 A 2 2 LEU CA C 2 55.100 54.268 0.832 1
1 14 . 8 1 1 A 2 2 LEU CB C 2 42.600 42.979 -0.379 1
1 17 . 8 1 1 A 2 2 LEU N N 2 127.000 119.857 7.143 1
1 18 . 8 1 1 A 3 3 VAL H H 3 8.670 9.092 -0.422 1
1 19 . 8 1 1 A 3 3 VAL HA H 3 4.580 4.862 -0.282 1
1 27 . 8 1 1 A 3 3 VAL C C 3 174.000 174.407 -0.407 1
1 28 . 8 1 1 A 3 3 VAL CA C 3 59.400 59.675 -0.275 1
1 29 . 8 1 1 A 3 3 VAL CB C 3 35.500 34.420 1.080 1
1 32 . 8 1 1 A 3 3 VAL N N 3 119.900 119.706 0.194 1
1 33 . 8 1 1 A 4 4 THR H H 4 8.310 8.877 -0.567 1
1 34 . 8 1 1 A 4 4 THR HA H 4 4.850 4.815 0.035 1
1 39 . 8 1 1 A 4 4 THR C C 4 173.600 174.106 -0.506 1
1 40 . 8 1 1 A 4 4 THR CA C 4 61.700 62.167 -0.467 1
1 41 . 8 1 1 A 4 4 THR CB C 4 69.500 69.201 0.299 1
1 43 . 8 1 1 A 4 4 THR N N 4 116.000 120.290 -4.290 1
1 44 . 8 1 1 A 5 5 ILE H H 5 9.060 9.305 -0.245 1
1 45 . 8 1 1 A 5 5 ILE HA H 5 4.830 4.766 0.064 1
1 55 . 8 1 1 A 5 5 ILE C C 5 176.100 175.932 0.168 1
1 56 . 8 1 1 A 5 5 ILE CA C 5 59.400 60.237 -0.837 1
1 57 . 8 1 1 A 5 5 ILE CB C 5 39.300 38.966 0.334 1
1 61 . 8 1 1 A 5 5 ILE N N 5 125.000 127.359 -2.359 1
1 62 . 8 1 1 A 6 6 ASN H H 6 9.480 9.381 0.099 1
1 63 . 8 1 1 A 6 6 ASN HA H 6 4.510 4.465 0.045 1
1 68 . 8 1 1 A 6 6 ASN C C 6 175.700 175.565 0.135 1
1 69 . 8 1 1 A 6 6 ASN CA C 6 54.100 54.718 -0.618 1
1 70 . 8 1 1 A 6 6 ASN CB C 6 36.100 37.268 -1.168 1
1 71 . 8 1 1 A 6 6 ASN N N 6 129.500 128.215 1.285 1
1 73 . 8 1 1 A 7 7 GLY H H 7 8.860 8.643 0.217 1
1 74 . 8 1 1 A 7 7 GLY HA2 H 7 3.560 3.858 -0.298 1
1 75 . 8 1 1 A 7 7 GLY HA3 H 7 4.180 3.859 0.321 1
1 76 . 8 1 1 A 7 7 GLY C C 7 173.500 173.635 -0.135 1
1 77 . 8 1 1 A 7 7 GLY CA C 7 45.300 45.398 -0.098 1
1 78 . 8 1 1 A 7 7 GLY N N 7 102.200 104.153 -1.953 1
1 79 . 8 1 1 A 8 8 GLU H H 8 7.790 8.068 -0.278 1
1 80 . 8 1 1 A 8 8 GLU HA H 8 4.690 4.670 0.020 1
1 85 . 8 1 1 A 8 8 GLU C C 8 175.300 175.165 0.135 1
1 86 . 8 1 1 A 8 8 GLU CA C 8 54.200 54.848 -0.648 1
1 87 . 8 1 1 A 8 8 GLU CB C 8 32.300 32.129 0.171 1
1 89 . 8 1 1 A 8 8 GLU N N 8 120.900 120.684 0.216 1
1 90 . 8 1 1 A 9 9 GLN H H 9 8.940 8.582 0.358 1
1 91 . 8 1 1 A 9 9 GLN HA H 9 4.770 4.681 0.089 1
1 96 . 8 1 1 A 9 9 GLN C C 9 176.000 175.273 0.727 1
1 97 . 8 1 1 A 9 9 GLN CA C 9 56.900 56.122 0.778 1
1 98 . 8 1 1 A 9 9 GLN CB C 9 29.300 29.028 0.272 1
1 100 . 8 1 1 A 9 9 GLN N N 9 125.800 125.980 -0.180 1
1 101 . 8 1 1 A 10 10 ARG H H 10 9.230 8.566 0.664 1
1 102 . 8 1 1 A 10 10 ARG HA H 10 4.580 4.757 -0.177 1
1 110 . 8 1 1 A 10 10 ARG C C 10 173.300 173.625 -0.325 1
1 111 . 8 1 1 A 10 10 ARG CA C 10 54.400 54.874 -0.474 1
1 112 . 8 1 1 A 10 10 ARG CB C 10 34.400 34.582 -0.182 1
1 115 . 8 1 1 A 10 10 ARG N N 10 125.200 123.859 1.341 1
1 117 . 8 1 1 A 11 11 GLU H H 11 8.380 8.809 -0.429 1
1 118 . 8 1 1 A 11 11 GLU HA H 11 4.860 4.994 -0.134 1
1 123 . 8 1 1 A 11 11 GLU C C 11 176.900 175.689 1.211 1
1 124 . 8 1 1 A 11 11 GLU CA C 11 54.800 55.194 -0.394 1
1 125 . 8 1 1 A 11 11 GLU CB C 11 30.000 32.053 -2.053 1
1 127 . 8 1 1 A 11 11 GLU N N 11 123.300 125.212 -1.912 1
1 128 . 8 1 1 A 12 12 VAL H H 12 9.070 9.040 0.030 1
1 129 . 8 1 1 A 12 12 VAL HA H 12 4.870 4.766 0.104 1
1 137 . 8 1 1 A 12 12 VAL C C 12 175.200 175.698 -0.498 1
1 138 . 8 1 1 A 12 12 VAL CA C 12 58.600 59.617 -1.017 1
1 139 . 8 1 1 A 12 12 VAL CB C 12 34.400 34.869 -0.469 1
1 142 . 8 1 1 A 12 12 VAL N N 12 119.600 122.939 -3.339 1
1 143 . 8 1 1 A 13 13 GLN H H 13 10.260 8.739 1.521 1
1 144 . 8 1 1 A 13 13 GLN HA H 13 4.550 4.346 0.204 1
1 149 . 8 1 1 A 13 13 GLN C C 13 177.700 176.259 1.441 1
1 150 . 8 1 1 A 13 13 GLN CA C 13 55.200 55.774 -0.574 1
1 151 . 8 1 1 A 13 13 GLN CB C 13 30.000 28.541 1.459 1
1 152 . 8 1 1 A 13 13 GLN N N 13 120.900 121.025 -0.125 1
1 153 . 8 1 1 A 14 14 SER H H 14 8.190 7.767 0.423 1
1 154 . 8 1 1 A 14 14 SER HA H 14 4.100 4.370 -0.270 1
1 157 . 8 1 1 A 14 14 SER C C 14 171.700 174.610 -2.910 1
1 158 . 8 1 1 A 14 14 SER CA C 14 61.000 57.909 3.091 1
1 159 . 8 1 1 A 14 14 SER CB C 14 65.300 64.351 0.949 1
1 160 . 8 1 1 A 14 14 SER N N 14 118.500 117.388 1.112 1
1 161 . 8 1 1 A 15 15 ALA H H 15 8.320 8.733 -0.413 1
1 162 . 8 1 1 A 15 15 ALA HA H 15 4.610 4.638 -0.028 1
1 166 . 8 1 1 A 15 15 ALA C C 15 177.900 176.139 1.761 1
1 167 . 8 1 1 A 15 15 ALA CA C 15 51.200 51.700 -0.500 1
1 168 . 8 1 1 A 15 15 ALA CB C 15 20.100 20.550 -0.450 1
1 169 . 8 1 1 A 15 15 ALA N N 15 118.500 123.329 -4.829 1
1 170 . 8 1 1 A 16 16 SER H H 16 7.480 7.443 0.037 1
1 171 . 8 1 1 A 16 16 SER HA H 16 5.390 4.676 0.714 1
1 174 . 8 1 1 A 16 16 SER C C 16 174.600 174.295 0.305 1
1 175 . 8 1 1 A 16 16 SER CA C 16 55.600 56.728 -1.128 1
1 176 . 8 1 1 A 16 16 SER CB C 16 67.400 65.704 1.696 1
1 177 . 8 1 1 A 16 16 SER N N 16 112.400 109.296 3.104 1
1 178 . 8 1 1 A 17 17 VAL H H 17 8.810 8.669 0.141 1
1 179 . 8 1 1 A 17 17 VAL HA H 17 3.120 3.497 -0.377 1
1 187 . 8 1 1 A 17 17 VAL C C 17 176.500 177.259 -0.759 1
1 188 . 8 1 1 A 17 17 VAL CA C 17 66.900 66.244 0.656 1
1 189 . 8 1 1 A 17 17 VAL CB C 17 31.300 31.470 -0.170 1
1 192 . 8 1 1 A 17 17 VAL N N 17 122.400 121.870 0.530 1
1 193 . 8 1 1 A 18 18 ALA H H 18 7.460 8.608 -1.148 1
1 194 . 8 1 1 A 18 18 ALA HA H 18 4.000 4.016 -0.016 1
1 198 . 8 1 1 A 18 18 ALA C C 18 179.600 179.504 0.096 1
1 199 . 8 1 1 A 18 18 ALA CA C 18 55.300 55.747 -0.447 1
1 200 . 8 1 1 A 18 18 ALA CB C 18 18.800 18.092 0.708 1
1 201 . 8 1 1 A 18 18 ALA N N 18 119.300 122.013 -2.713 1
1 202 . 8 1 1 A 19 19 ALA H H 19 7.620 7.428 0.192 1
1 203 . 8 1 1 A 19 19 ALA HA H 19 4.130 4.205 -0.075 1
1 207 . 8 1 1 A 19 19 ALA C C 19 179.500 180.113 -0.613 1
1 208 . 8 1 1 A 19 19 ALA CA C 19 55.000 54.944 0.056 1
1 209 . 8 1 1 A 19 19 ALA CB C 19 17.400 18.508 -1.108 1
1 210 . 8 1 1 A 19 19 ALA N N 19 120.000 121.041 -1.041 1
1 211 . 8 1 1 A 20 20 LEU H H 20 8.260 8.207 0.053 1
1 212 . 8 1 1 A 20 20 LEU HA H 20 4.120 4.068 0.052 1
1 221 . 8 1 1 A 20 20 LEU C C 20 177.700 178.879 -1.179 1
1 222 . 8 1 1 A 20 20 LEU CA C 20 57.500 57.873 -0.373 1
1 223 . 8 1 1 A 20 20 LEU CB C 20 42.000 41.628 0.372 1
1 226 . 8 1 1 A 20 20 LEU N N 20 121.900 119.906 1.994 1
1 227 . 8 1 1 A 21 21 MET H H 21 8.020 8.395 -0.375 1
1 228 . 8 1 1 A 21 21 MET HA H 21 4.130 4.092 0.038 1
1 230 . 8 1 1 A 21 21 MET C C 21 179.300 179.007 0.293 1
1 231 . 8 1 1 A 21 21 MET CA C 21 57.000 58.840 -1.840 1
1 232 . 8 1 1 A 21 21 MET CB C 21 30.300 32.960 -2.660 1
1 233 . 8 1 1 A 21 21 MET N N 21 115.800 117.118 -1.318 1
1 234 . 8 1 1 A 22 22 THR H H 22 7.380 7.875 -0.495 1
1 235 . 8 1 1 A 22 22 THR HA H 22 3.950 3.891 0.059 1
1 240 . 8 1 1 A 22 22 THR C C 22 177.300 175.999 1.301 1
1 241 . 8 1 1 A 22 22 THR CA C 22 66.600 67.241 -0.641 1
1 242 . 8 1 1 A 22 22 THR CB C 22 68.200 68.479 -0.279 1
1 244 . 8 1 1 A 22 22 THR N N 22 116.500 115.966 0.534 1
1 245 . 8 1 1 A 23 23 GLU H H 23 8.650 8.034 0.616 1
1 246 . 8 1 1 A 23 23 GLU HA H 23 3.960 4.038 -0.078 1
1 251 . 8 1 1 A 23 23 GLU C C 23 177.900 178.311 -0.411 1
1 252 . 8 1 1 A 23 23 GLU CA C 23 59.500 58.841 0.659 1
1 253 . 8 1 1 A 23 23 GLU CB C 23 29.600 29.376 0.224 1
1 255 . 8 1 1 A 23 23 GLU N N 23 128.000 121.179 6.821 1
1 256 . 8 1 1 A 24 24 LEU H H 24 8.140 7.680 0.460 1
1 257 . 8 1 1 A 24 24 LEU HA H 24 4.200 4.279 -0.079 1
1 266 . 8 1 1 A 24 24 LEU C C 24 175.800 175.647 0.153 1
1 267 . 8 1 1 A 24 24 LEU CA C 24 54.200 54.862 -0.662 1
1 268 . 8 1 1 A 24 24 LEU CB C 24 41.900 41.574 0.326 1
1 271 . 8 1 1 A 24 24 LEU N N 24 115.900 118.051 -2.151 1
1 272 . 8 1 1 A 25 25 ASP H H 25 7.980 7.952 0.028 1
1 273 . 8 1 1 A 25 25 ASP HA H 25 4.440 4.369 0.071 1
1 276 . 8 1 1 A 25 25 ASP C C 25 175.800 176.137 -0.337 1
1 277 . 8 1 1 A 25 25 ASP CA C 25 55.200 55.453 -0.253 1
1 278 . 8 1 1 A 25 25 ASP CB C 25 39.400 38.880 0.520 1
1 279 . 8 1 1 A 25 25 ASP N N 25 118.400 116.152 2.248 1
1 280 . 8 1 1 A 26 26 CYS H H 26 8.510 8.532 -0.022 1
1 281 . 8 1 1 A 26 26 CYS HA H 26 4.460 4.662 -0.202 1
1 284 . 8 1 1 A 26 26 CYS C C 26 174.300 174.850 -0.550 1
1 285 . 8 1 1 A 26 26 CYS CA C 26 58.500 58.040 0.460 1
1 286 . 8 1 1 A 26 26 CYS CB C 26 27.100 27.876 -0.776 1
1 287 . 8 1 1 A 26 26 CYS N N 26 117.000 115.887 1.113 1
1 288 . 8 1 1 A 27 27 THR H H 27 7.810 7.764 0.046 1
1 289 . 8 1 1 A 27 27 THR HA H 27 4.450 4.213 0.237 1
1 291 . 8 1 1 A 27 27 THR CA C 27 62.200 64.003 -1.803 1
1 292 . 8 1 1 A 27 27 THR CB C 27 69.400 68.652 0.748 1
1 293 . 8 1 1 A 27 27 THR N N 27 107.800 116.785 -8.985 1
1 294 . 8 1 1 A 29 29 GLY H H 29 8.440 7.817 0.623 1
1 295 . 8 1 1 A 29 29 GLY HA2 H 29 3.890 4.013 -0.123 1
1 296 . 8 1 1 A 29 29 GLY HA3 H 29 3.970 4.221 -0.251 1
1 297 . 8 1 1 A 29 29 GLY C C 29 173.800 174.667 -0.867 1
1 298 . 8 1 1 A 29 29 GLY CA C 29 45.800 45.145 0.655 1
1 299 . 8 1 1 A 29 29 GLY N N 29 108.100 108.087 0.013 1
1 300 . 8 1 1 A 30 30 HIS H H 30 8.210 8.597 -0.387 1
1 301 . 8 1 1 A 30 30 HIS HA H 30 4.650 4.591 0.059 1
1 305 . 8 1 1 A 30 30 HIS C C 30 173.500 174.875 -1.375 1
1 306 . 8 1 1 A 30 30 HIS CA C 30 55.600 56.209 -0.609 1
1 307 . 8 1 1 A 30 30 HIS CB C 30 28.700 29.368 -0.668 1
1 309 . 8 1 1 A 30 30 HIS N N 30 117.300 118.823 -1.523 1
1 310 . 8 1 1 A 31 31 PHE H H 31 7.520 8.021 -0.501 1
1 311 . 8 1 1 A 31 31 PHE HA H 31 5.050 4.840 0.210 1
1 316 . 8 1 1 A 31 31 PHE C C 31 175.200 175.747 -0.547 1
1 317 . 8 1 1 A 31 31 PHE CA C 31 58.000 57.748 0.252 1
1 318 . 8 1 1 A 31 31 PHE CB C 31 41.200 40.974 0.226 1
1 321 . 8 1 1 A 31 31 PHE N N 31 117.000 119.165 -2.165 1
1 322 . 8 1 1 A 32 32 ALA H H 32 9.010 8.960 0.050 1
1 323 . 8 1 1 A 32 32 ALA HA H 32 5.010 5.400 -0.390 1
1 327 . 8 1 1 A 32 32 ALA C C 32 174.800 177.215 -2.415 1
1 328 . 8 1 1 A 32 32 ALA CA C 32 50.400 50.672 -0.272 1
1 329 . 8 1 1 A 32 32 ALA CB C 32 22.500 22.002 0.498 1
1 330 . 8 1 1 A 32 32 ALA N N 32 123.800 124.283 -0.483 1
1 331 . 8 1 1 A 33 33 VAL H H 33 9.350 8.952 0.398 1
1 332 . 8 1 1 A 33 33 VAL HA H 33 5.130 5.093 0.037 1
1 340 . 8 1 1 A 33 33 VAL C C 33 172.400 174.328 -1.928 1
1 341 . 8 1 1 A 33 33 VAL CA C 33 59.700 59.069 0.631 1
1 342 . 8 1 1 A 33 33 VAL CB C 33 35.000 35.544 -0.544 1
1 345 . 8 1 1 A 33 33 VAL N N 33 120.200 112.676 7.524 1
1 346 . 8 1 1 A 34 34 ALA H H 34 9.100 8.680 0.420 1
1 347 . 8 1 1 A 34 34 ALA HA H 34 5.130 5.500 -0.370 1
1 351 . 8 1 1 A 34 34 ALA C C 34 174.900 175.029 -0.129 1
1 352 . 8 1 1 A 34 34 ALA CA C 34 49.600 50.074 -0.474 1
1 353 . 8 1 1 A 34 34 ALA CB C 34 21.200 22.824 -1.624 1
1 354 . 8 1 1 A 34 34 ALA N N 34 127.800 123.712 4.088 1
1 355 . 8 1 1 A 35 35 LEU H H 35 8.680 9.094 -0.414 1
1 356 . 8 1 1 A 35 35 LEU HA H 35 4.750 4.815 -0.065 1
1 366 . 8 1 1 A 35 35 LEU C C 35 175.700 175.751 -0.051 1
1 367 . 8 1 1 A 35 35 LEU CA C 35 53.200 53.714 -0.514 1
1 368 . 8 1 1 A 35 35 LEU CB C 35 45.600 44.680 0.920 1
1 372 . 8 1 1 A 35 35 LEU N N 35 125.000 124.101 0.899 1
1 373 . 8 1 1 A 36 36 ASN H H 36 9.960 9.326 0.634 1
1 374 . 8 1 1 A 36 36 ASN HA H 36 3.890 4.457 -0.567 1
1 379 . 8 1 1 A 36 36 ASN C C 36 174.500 175.099 -0.599 1
1 380 . 8 1 1 A 36 36 ASN CA C 36 54.900 54.693 0.207 1
1 381 . 8 1 1 A 36 36 ASN CB C 36 36.800 37.047 -0.247 1
1 382 . 8 1 1 A 36 36 ASN N N 36 127.300 126.832 0.468 1
1 384 . 8 1 1 A 37 37 TYR H H 37 8.750 8.649 0.101 1
1 385 . 8 1 1 A 37 37 TYR HA H 37 3.720 4.175 -0.455 1
1 392 . 8 1 1 A 37 37 TYR C C 37 174.100 174.305 -0.205 1
1 393 . 8 1 1 A 37 37 TYR CA C 37 59.900 58.934 0.966 1
1 394 . 8 1 1 A 37 37 TYR CB C 37 35.300 37.067 -1.767 1
1 399 . 8 1 1 A 37 37 TYR N N 37 107.500 115.863 -8.363 1
1 400 . 8 1 1 A 38 38 ASP H H 38 7.590 7.758 -0.168 1
1 401 . 8 1 1 A 38 38 ASP HA H 38 5.090 4.867 0.223 1
1 404 . 8 1 1 A 38 38 ASP C C 38 175.400 174.615 0.785 1
1 405 . 8 1 1 A 38 38 ASP CA C 38 53.100 53.660 -0.560 1
1 406 . 8 1 1 A 38 38 ASP CB C 38 42.900 43.723 -0.823 1
1 407 . 8 1 1 A 38 38 ASP N N 38 119.900 119.186 0.714 1
1 408 . 8 1 1 A 39 39 VAL H H 39 8.590 8.758 -0.168 1
1 409 . 8 1 1 A 39 39 VAL HA H 39 4.220 4.514 -0.294 1
1 417 . 8 1 1 A 39 39 VAL C C 39 176.600 175.320 1.280 1
1 418 . 8 1 1 A 39 39 VAL CA C 39 63.600 62.918 0.682 1
1 419 . 8 1 1 A 39 39 VAL CB C 39 31.700 32.028 -0.328 1
1 422 . 8 1 1 A 39 39 VAL N N 39 124.300 126.586 -2.286 1
1 423 . 8 1 1 A 40 40 VAL H H 40 8.970 8.602 0.368 1
1 424 . 8 1 1 A 40 40 VAL HA H 40 4.600 4.581 0.019 1
1 432 . 8 1 1 A 40 40 VAL CA C 40 59.100 58.718 0.382 1
1 433 . 8 1 1 A 40 40 VAL CB C 40 32.500 33.987 -1.487 1
1 436 . 8 1 1 A 40 40 VAL N N 40 130.800 127.041 3.759 1
1 437 . 8 1 1 A 41 41 PRO HA H 41 4.580 4.709 -0.129 1
1 444 . 8 1 1 A 41 41 PRO C C 41 177.700 177.733 -0.033 1
1 445 . 8 1 1 A 41 41 PRO CA C 41 62.800 62.529 0.271 1
1 446 . 8 1 1 A 41 41 PRO CB C 41 32.300 32.722 -0.422 1
1 449 . 8 1 1 A 42 42 ARG H H 42 8.640 8.286 0.354 1
1 450 . 8 1 1 A 42 42 ARG HA H 42 1.890 1.948 -0.058 1
1 458 . 8 1 1 A 42 42 ARG C C 42 178.800 176.230 2.570 1
1 459 . 8 1 1 A 42 42 ARG CA C 42 58.100 57.077 1.023 1
1 460 . 8 1 1 A 42 42 ARG CB C 42 29.600 28.691 0.909 1
1 462 . 8 1 1 A 42 42 ARG N N 42 124.000 122.359 1.641 1
1 464 . 8 1 1 A 43 43 GLY H H 43 8.690 7.923 0.767 1
1 465 . 8 1 1 A 43 43 GLY HA2 H 43 3.770 3.865 -0.095 1
1 466 . 8 1 1 A 43 43 GLY HA3 H 43 3.870 3.898 -0.028 1
1 467 . 8 1 1 A 43 43 GLY C C 43 174.600 174.481 0.119 1
1 468 . 8 1 1 A 43 43 GLY CA C 43 45.800 45.499 0.301 1
1 469 . 8 1 1 A 43 43 GLY N N 43 106.000 108.654 -2.654 1
1 470 . 8 1 1 A 44 44 LYS H H 44 8.260 8.048 0.212 1
1 471 . 8 1 1 A 44 44 LYS HA H 44 4.840 4.546 0.294 1
1 480 . 8 1 1 A 44 44 LYS C C 44 179.200 177.138 2.062 1
1 481 . 8 1 1 A 44 44 LYS CA C 44 54.500 55.651 -1.151 1
1 482 . 8 1 1 A 44 44 LYS CB C 44 32.900 32.827 0.073 1
1 486 . 8 1 1 A 44 44 LYS N N 44 115.900 117.892 -1.992 1
1 487 . 8 1 1 A 45 45 TRP H H 45 8.120 7.781 0.339 1
1 488 . 8 1 1 A 45 45 TRP HA H 45 4.350 4.397 -0.047 1
1 497 . 8 1 1 A 45 45 TRP C C 45 178.400 178.323 0.077 1
1 498 . 8 1 1 A 45 45 TRP CA C 45 60.500 59.718 0.782 1
1 499 . 8 1 1 A 45 45 TRP CB C 45 28.500 29.320 -0.820 1
1 505 . 8 1 1 A 45 45 TRP N N 45 124.800 120.804 3.996 1
1 507 . 8 1 1 A 46 46 ASP H H 46 8.950 8.452 0.498 1
1 508 . 8 1 1 A 46 46 ASP HA H 46 4.460 4.403 0.057 1
1 511 . 8 1 1 A 46 46 ASP C C 46 176.800 177.721 -0.921 1
1 512 . 8 1 1 A 46 46 ASP CA C 46 56.900 57.714 -0.814 1
1 513 . 8 1 1 A 46 46 ASP CB C 46 40.400 41.171 -0.771 1
1 514 . 8 1 1 A 46 46 ASP N N 46 117.400 120.874 -3.474 1
1 515 . 8 1 1 A 47 47 GLU H H 47 7.530 7.831 -0.301 1
1 516 . 8 1 1 A 47 47 GLU HA H 47 4.580 4.387 0.193 1
1 521 . 8 1 1 A 47 47 GLU C C 47 175.500 174.919 0.581 1
1 522 . 8 1 1 A 47 47 GLU CA C 47 55.300 56.616 -1.316 1
1 523 . 8 1 1 A 47 47 GLU CB C 47 30.800 30.352 0.448 1
1 525 . 8 1 1 A 47 47 GLU N N 47 114.500 116.429 -1.929 1
1 526 . 8 1 1 A 48 48 THR H H 48 7.230 7.497 -0.267 1
1 527 . 8 1 1 A 48 48 THR HA H 48 4.700 4.672 0.028 1
1 532 . 8 1 1 A 48 48 THR CA C 48 60.800 59.225 1.575 1
1 533 . 8 1 1 A 48 48 THR CB C 48 70.100 69.937 0.163 1
1 534 . 8 1 1 A 48 48 THR N N 48 119.900 115.854 4.046 1
1 535 . 8 1 1 A 49 49 PRO HA H 49 4.890 4.784 0.106 1
1 542 . 8 1 1 A 49 49 PRO C C 49 175.400 175.588 -0.188 1
1 543 . 8 1 1 A 49 49 PRO CA C 49 62.100 62.363 -0.263 1
1 544 . 8 1 1 A 49 49 PRO CB C 49 32.900 32.674 0.226 1
1 547 . 8 1 1 A 50 50 VAL H H 50 6.960 9.017 -2.057 1
1 548 . 8 1 1 A 50 50 VAL HA H 50 4.030 4.785 -0.755 1
1 556 . 8 1 1 A 50 50 VAL C C 50 173.800 174.633 -0.833 1
1 557 . 8 1 1 A 50 50 VAL CA C 50 61.400 60.319 1.081 1
1 558 . 8 1 1 A 50 50 VAL CB C 50 33.900 34.499 -0.599 1
1 561 . 8 1 1 A 50 50 VAL N N 50 119.400 120.484 -1.084 1
1 562 . 8 1 1 A 51 51 THR H H 51 8.940 8.769 0.171 1
1 563 . 8 1 1 A 51 51 THR HA H 51 4.460 4.783 -0.323 1
1 568 . 8 1 1 A 51 51 THR C C 51 172.300 174.177 -1.877 1
1 569 . 8 1 1 A 51 51 THR CA C 51 60.600 61.165 -0.565 1
1 570 . 8 1 1 A 51 51 THR CB C 51 71.000 71.019 -0.019 1
1 571 . 8 1 1 A 51 51 THR N N 51 122.600 123.872 -1.272 1
1 572 . 8 1 1 A 52 52 ALA H H 52 8.150 8.559 -0.409 1
1 573 . 8 1 1 A 52 52 ALA HA H 52 3.940 3.949 -0.009 1
1 577 . 8 1 1 A 52 52 ALA C C 52 179.100 178.030 1.070 1
1 578 . 8 1 1 A 52 52 ALA CA C 52 53.700 53.967 -0.267 1
1 579 . 8 1 1 A 52 52 ALA CB C 52 18.200 18.390 -0.190 1
1 580 . 8 1 1 A 52 52 ALA N N 52 125.400 128.748 -3.348 1
1 581 . 8 1 1 A 53 53 GLY H H 53 9.160 8.748 0.412 1
1 582 . 8 1 1 A 53 53 GLY HA2 H 53 3.670 4.034 -0.364 1
1 583 . 8 1 1 A 53 53 GLY HA3 H 53 4.310 4.035 0.275 1
1 584 . 8 1 1 A 53 53 GLY C C 53 174.900 174.658 0.242 1
1 585 . 8 1 1 A 53 53 GLY CA C 53 44.700 45.270 -0.570 1
1 586 . 8 1 1 A 53 53 GLY N N 53 111.000 111.192 -0.192 1
1 587 . 8 1 1 A 54 54 ASP H H 54 8.180 8.207 -0.027 1
1 588 . 8 1 1 A 54 54 ASP HA H 54 4.700 4.653 0.047 1
1 591 . 8 1 1 A 54 54 ASP C C 54 174.600 175.468 -0.868 1
1 592 . 8 1 1 A 54 54 ASP CA C 54 56.100 55.098 1.002 1
1 593 . 8 1 1 A 54 54 ASP CB C 54 41.800 41.768 0.032 1
1 594 . 8 1 1 A 54 54 ASP N N 54 122.700 121.994 0.706 1
1 595 . 8 1 1 A 55 55 GLU H H 55 8.160 8.733 -0.573 1
1 596 . 8 1 1 A 55 55 GLU HA H 55 4.730 4.770 -0.040 1
1 601 . 8 1 1 A 55 55 GLU C C 55 175.000 175.195 -0.195 1
1 602 . 8 1 1 A 55 55 GLU CA C 55 55.100 55.819 -0.719 1
1 603 . 8 1 1 A 55 55 GLU CB C 55 30.500 30.985 -0.485 1
1 605 . 8 1 1 A 55 55 GLU N N 55 118.800 123.256 -4.456 1
1 606 . 8 1 1 A 56 56 ILE H H 56 9.320 8.807 0.513 1
1 607 . 8 1 1 A 56 56 ILE HA H 56 4.950 5.115 -0.165 1
1 617 . 8 1 1 A 56 56 ILE C C 56 175.100 174.985 0.115 1
1 618 . 8 1 1 A 56 56 ILE CA C 56 59.800 60.059 -0.259 1
1 619 . 8 1 1 A 56 56 ILE CB C 56 40.200 40.728 -0.528 1
1 623 . 8 1 1 A 56 56 ILE N N 56 127.400 127.730 -0.330 1
1 624 . 8 1 1 A 57 57 GLU H H 57 9.170 8.684 0.486 1
1 625 . 8 1 1 A 57 57 GLU HA H 57 5.000 5.226 -0.226 1
1 630 . 8 1 1 A 57 57 GLU C C 57 174.100 175.016 -0.916 1
1 631 . 8 1 1 A 57 57 GLU CA C 57 54.400 54.458 -0.058 1
1 632 . 8 1 1 A 57 57 GLU CB C 57 32.900 33.264 -0.364 1
1 634 . 8 1 1 A 57 57 GLU N N 57 129.600 126.002 3.598 1
1 635 . 8 1 1 A 58 58 ILE H H 58 9.500 9.322 0.178 1
1 636 . 8 1 1 A 58 58 ILE HA H 58 4.610 4.669 -0.059 1
1 646 . 8 1 1 A 58 58 ILE C C 58 175.900 175.501 0.399 1
1 647 . 8 1 1 A 58 58 ILE CA C 58 59.900 59.354 0.546 1
1 648 . 8 1 1 A 58 58 ILE CB C 58 37.800 39.040 -1.240 1
1 652 . 8 1 1 A 58 58 ILE N N 58 126.500 124.640 1.860 1
1 653 . 8 1 1 A 59 59 LEU H H 59 9.150 8.522 0.628 1
1 654 . 8 1 1 A 59 59 LEU HA H 59 4.840 4.658 0.182 1
1 663 . 8 1 1 A 59 59 LEU C C 59 175.800 176.308 -0.508 1
1 664 . 8 1 1 A 59 59 LEU CA C 59 53.800 54.624 -0.824 1
1 665 . 8 1 1 A 59 59 LEU CB C 59 44.300 42.886 1.414 1
1 668 . 8 1 1 A 59 59 LEU N N 59 129.800 128.596 1.204 1
1 669 . 8 1 1 A 60 60 THR H H 60 8.470 8.846 -0.376 1
1 673 . 8 1 1 A 60 60 THR CA C 60 58.200 58.720 -0.520 1
1 674 . 8 1 1 A 60 60 THR CB C 60 69.900 69.143 0.757 1
1 676 . 8 1 1 A 60 60 THR N N 60 114.300 115.807 -1.507 1
1 677 . 8 1 1 A 61 61 PRO HA H 61 4.400 4.473 -0.073 1
1 680 . 8 1 1 A 61 61 PRO CA C 61 63.200 63.810 -0.610 1
1 681 . 8 1 1 A 61 61 PRO CB C 61 32.100 32.167 -0.067 1
1 682 . 8 1 1 A 62 62 ARG HA H 62 4.260 3.798 0.462 1
1 689 . 8 1 1 A 62 62 ARG C C 62 176.500 176.532 -0.032 1
1 690 . 8 1 1 A 62 62 ARG CA C 62 56.500 56.871 -0.371 1
1 691 . 8 1 1 A 62 62 ARG CB C 62 30.500 27.935 2.565 1
1 694 . 8 1 1 A 63 63 GLN H H 63 8.500 8.288 0.212 1
1 695 . 8 1 1 A 63 63 GLN HA H 63 4.250 4.307 -0.057 1
1 702 . 8 1 1 A 63 63 GLN C C 63 176.400 175.665 0.735 1
1 703 . 8 1 1 A 63 63 GLN CA C 63 56.000 55.521 0.479 1
1 704 . 8 1 1 A 63 63 GLN CB C 63 29.200 28.817 0.383 1
1 706 . 8 1 1 A 63 63 GLN N N 63 121.700 115.852 5.848 1
1 708 . 8 1 1 A 64 64 GLY H H 64 8.330 7.562 0.768 1
1 709 . 8 1 1 A 64 64 GLY HA2 H 64 3.940 4.074 -0.134 1
1 710 . 8 1 1 A 64 64 GLY HA3 H 64 3.940 4.076 -0.136 1
1 711 . 8 1 1 A 64 64 GLY C C 64 174.500 173.660 0.840 1
1 712 . 8 1 1 A 64 64 GLY CA C 64 45.300 45.839 -0.539 1
1 713 . 8 1 1 A 64 64 GLY N N 64 110.100 107.614 2.486 1
1 714 . 8 1 1 A 65 65 GLY H H 65 8.260 8.598 -0.338 1
1 715 . 8 1 1 A 65 65 GLY HA2 H 65 3.940 4.072 -0.132 1
1 716 . 8 1 1 A 65 65 GLY HA3 H 65 3.940 4.083 -0.143 1
1 717 . 8 1 1 A 65 65 GLY C C 65 174.200 174.291 -0.091 1
1 718 . 8 1 1 A 65 65 GLY CA C 65 45.200 45.609 -0.409 1
1 719 . 8 1 1 A 65 65 GLY N N 65 108.500 107.139 1.361 1
1 720 . 8 1 1 A 66 66 LEU H H 66 8.200 8.018 0.182 1
1 721 . 8 1 1 A 66 66 LEU HA H 66 4.250 4.432 -0.182 1
1 730 . 8 1 1 A 66 66 LEU C C 66 177.400 176.062 1.338 1
1 731 . 8 1 1 A 66 66 LEU CA C 66 55.200 54.076 1.124 1
1 732 . 8 1 1 A 66 66 LEU CB C 66 42.300 41.836 0.464 1
1 736 . 8 1 1 A 66 66 LEU N N 66 121.200 123.411 -2.211 1
1 737 . 8 1 1 A 67 67 GLU H H 67 8.460 8.662 -0.202 1
1 738 . 8 1 1 A 67 67 GLU HA H 67 4.170 5.008 -0.838 1
1 743 . 8 1 1 A 67 67 GLU CA C 67 56.500 55.652 0.848 1
1 744 . 8 1 1 A 67 67 GLU CB C 67 30.000 30.718 -0.718 1
1 2 . 9 1 1 A 2 2 LEU H H 2 8.810 7.837 0.973 1
1 3 . 9 1 1 A 2 2 LEU HA H 2 4.930 4.493 0.437 1
1 12 . 9 1 1 A 2 2 LEU C C 2 175.900 176.185 -0.285 1
1 13 . 9 1 1 A 2 2 LEU CA C 2 55.100 53.983 1.117 1
1 14 . 9 1 1 A 2 2 LEU CB C 2 42.600 43.018 -0.418 1
1 17 . 9 1 1 A 2 2 LEU N N 2 127.000 120.273 6.727 1
1 18 . 9 1 1 A 3 3 VAL H H 3 8.670 9.668 -0.998 1
1 19 . 9 1 1 A 3 3 VAL HA H 3 4.580 4.861 -0.281 1
1 27 . 9 1 1 A 3 3 VAL C C 3 174.000 174.423 -0.423 1
1 28 . 9 1 1 A 3 3 VAL CA C 3 59.400 59.553 -0.153 1
1 29 . 9 1 1 A 3 3 VAL CB C 3 35.500 34.536 0.964 1
1 32 . 9 1 1 A 3 3 VAL N N 3 119.900 119.626 0.274 1
1 33 . 9 1 1 A 4 4 THR H H 4 8.310 8.856 -0.546 1
1 34 . 9 1 1 A 4 4 THR HA H 4 4.850 4.874 -0.024 1
1 39 . 9 1 1 A 4 4 THR C C 4 173.600 174.046 -0.446 1
1 40 . 9 1 1 A 4 4 THR CA C 4 61.700 62.247 -0.547 1
1 41 . 9 1 1 A 4 4 THR CB C 4 69.500 69.040 0.460 1
1 43 . 9 1 1 A 4 4 THR N N 4 116.000 120.594 -4.594 1
1 44 . 9 1 1 A 5 5 ILE H H 5 9.060 9.349 -0.289 1
1 45 . 9 1 1 A 5 5 ILE HA H 5 4.830 4.806 0.024 1
1 55 . 9 1 1 A 5 5 ILE C C 5 176.100 175.923 0.177 1
1 56 . 9 1 1 A 5 5 ILE CA C 5 59.400 60.356 -0.956 1
1 57 . 9 1 1 A 5 5 ILE CB C 5 39.300 39.756 -0.456 1
1 61 . 9 1 1 A 5 5 ILE N N 5 125.000 127.216 -2.216 1
1 62 . 9 1 1 A 6 6 ASN H H 6 9.480 9.486 -0.006 1
1 63 . 9 1 1 A 6 6 ASN HA H 6 4.510 4.483 0.027 1
1 68 . 9 1 1 A 6 6 ASN C C 6 175.700 175.571 0.129 1
1 69 . 9 1 1 A 6 6 ASN CA C 6 54.100 54.693 -0.593 1
1 70 . 9 1 1 A 6 6 ASN CB C 6 36.100 37.286 -1.186 1
1 71 . 9 1 1 A 6 6 ASN N N 6 129.500 127.736 1.764 1
1 73 . 9 1 1 A 7 7 GLY H H 7 8.860 8.644 0.216 1
1 74 . 9 1 1 A 7 7 GLY HA2 H 7 3.560 3.881 -0.321 1
1 75 . 9 1 1 A 7 7 GLY HA3 H 7 4.180 3.882 0.298 1
1 76 . 9 1 1 A 7 7 GLY C C 7 173.500 173.779 -0.279 1
1 77 . 9 1 1 A 7 7 GLY CA C 7 45.300 45.634 -0.334 1
1 78 . 9 1 1 A 7 7 GLY N N 7 102.200 103.639 -1.439 1
1 79 . 9 1 1 A 8 8 GLU H H 8 7.790 7.990 -0.200 1
1 80 . 9 1 1 A 8 8 GLU HA H 8 4.690 4.792 -0.102 1
1 85 . 9 1 1 A 8 8 GLU C C 8 175.300 175.454 -0.154 1
1 86 . 9 1 1 A 8 8 GLU CA C 8 54.200 54.533 -0.333 1
1 87 . 9 1 1 A 8 8 GLU CB C 8 32.300 32.726 -0.426 1
1 89 . 9 1 1 A 8 8 GLU N N 8 120.900 119.816 1.084 1
1 90 . 9 1 1 A 9 9 GLN H H 9 8.940 8.554 0.386 1
1 91 . 9 1 1 A 9 9 GLN HA H 9 4.770 4.803 -0.033 1
1 96 . 9 1 1 A 9 9 GLN C C 9 176.000 175.123 0.877 1
1 97 . 9 1 1 A 9 9 GLN CA C 9 56.900 55.891 1.009 1
1 98 . 9 1 1 A 9 9 GLN CB C 9 29.300 29.162 0.138 1
1 100 . 9 1 1 A 9 9 GLN N N 9 125.800 122.687 3.113 1
1 101 . 9 1 1 A 10 10 ARG H H 10 9.230 8.854 0.376 1
1 102 . 9 1 1 A 10 10 ARG HA H 10 4.580 4.897 -0.317 1
1 110 . 9 1 1 A 10 10 ARG C C 10 173.300 173.500 -0.200 1
1 111 . 9 1 1 A 10 10 ARG CA C 10 54.400 54.505 -0.105 1
1 112 . 9 1 1 A 10 10 ARG CB C 10 34.400 34.471 -0.071 1
1 115 . 9 1 1 A 10 10 ARG N N 10 125.200 123.842 1.358 1
1 117 . 9 1 1 A 11 11 GLU H H 11 8.380 8.926 -0.546 1
1 118 . 9 1 1 A 11 11 GLU HA H 11 4.860 5.038 -0.178 1
1 123 . 9 1 1 A 11 11 GLU C C 11 176.900 175.635 1.265 1
1 124 . 9 1 1 A 11 11 GLU CA C 11 54.800 55.325 -0.525 1
1 125 . 9 1 1 A 11 11 GLU CB C 11 30.000 32.117 -2.117 1
1 127 . 9 1 1 A 11 11 GLU N N 11 123.300 125.552 -2.252 1
1 128 . 9 1 1 A 12 12 VAL H H 12 9.070 8.930 0.140 1
1 129 . 9 1 1 A 12 12 VAL HA H 12 4.870 4.730 0.140 1
1 137 . 9 1 1 A 12 12 VAL C C 12 175.200 175.348 -0.148 1
1 138 . 9 1 1 A 12 12 VAL CA C 12 58.600 58.922 -0.322 1
1 139 . 9 1 1 A 12 12 VAL CB C 12 34.400 35.028 -0.628 1
1 142 . 9 1 1 A 12 12 VAL N N 12 119.600 120.396 -0.796 1
1 143 . 9 1 1 A 13 13 GLN H H 13 10.260 8.799 1.461 1
1 144 . 9 1 1 A 13 13 GLN HA H 13 4.550 4.387 0.163 1
1 149 . 9 1 1 A 13 13 GLN C C 13 177.700 176.064 1.636 1
1 150 . 9 1 1 A 13 13 GLN CA C 13 55.200 56.104 -0.904 1
1 151 . 9 1 1 A 13 13 GLN CB C 13 30.000 29.935 0.065 1
1 152 . 9 1 1 A 13 13 GLN N N 13 120.900 121.378 -0.478 1
1 153 . 9 1 1 A 14 14 SER H H 14 8.190 7.691 0.499 1
1 154 . 9 1 1 A 14 14 SER HA H 14 4.100 4.302 -0.202 1
1 157 . 9 1 1 A 14 14 SER C C 14 171.700 174.783 -3.083 1
1 158 . 9 1 1 A 14 14 SER CA C 14 61.000 60.087 0.913 1
1 159 . 9 1 1 A 14 14 SER CB C 14 65.300 63.726 1.574 1
1 160 . 9 1 1 A 14 14 SER N N 14 118.500 115.976 2.524 1
1 161 . 9 1 1 A 15 15 ALA H H 15 8.320 8.698 -0.378 1
1 162 . 9 1 1 A 15 15 ALA HA H 15 4.610 4.503 0.107 1
1 166 . 9 1 1 A 15 15 ALA C C 15 177.900 176.750 1.150 1
1 167 . 9 1 1 A 15 15 ALA CA C 15 51.200 51.891 -0.691 1
1 168 . 9 1 1 A 15 15 ALA CB C 15 20.100 19.991 0.109 1
1 169 . 9 1 1 A 15 15 ALA N N 15 118.500 126.014 -7.514 1
1 170 . 9 1 1 A 16 16 SER H H 16 7.480 7.672 -0.192 1
1 171 . 9 1 1 A 16 16 SER HA H 16 5.390 4.836 0.554 1
1 174 . 9 1 1 A 16 16 SER C C 16 174.600 173.981 0.619 1
1 175 . 9 1 1 A 16 16 SER CA C 16 55.600 56.350 -0.750 1
1 176 . 9 1 1 A 16 16 SER CB C 16 67.400 65.534 1.866 1
1 177 . 9 1 1 A 16 16 SER N N 16 112.400 112.705 -0.305 1
1 178 . 9 1 1 A 17 17 VAL H H 17 8.810 8.440 0.370 1
1 179 . 9 1 1 A 17 17 VAL HA H 17 3.120 3.542 -0.422 1
1 187 . 9 1 1 A 17 17 VAL C C 17 176.500 177.247 -0.747 1
1 188 . 9 1 1 A 17 17 VAL CA C 17 66.900 66.270 0.630 1
1 189 . 9 1 1 A 17 17 VAL CB C 17 31.300 31.558 -0.258 1
1 192 . 9 1 1 A 17 17 VAL N N 17 122.400 126.479 -4.079 1
1 193 . 9 1 1 A 18 18 ALA H H 18 7.460 8.754 -1.294 1
1 194 . 9 1 1 A 18 18 ALA HA H 18 4.000 4.076 -0.076 1
1 198 . 9 1 1 A 18 18 ALA C C 18 179.600 179.368 0.232 1
1 199 . 9 1 1 A 18 18 ALA CA C 18 55.300 55.929 -0.629 1
1 200 . 9 1 1 A 18 18 ALA CB C 18 18.800 17.984 0.816 1
1 201 . 9 1 1 A 18 18 ALA N N 18 119.300 122.237 -2.937 1
1 202 . 9 1 1 A 19 19 ALA H H 19 7.620 7.919 -0.299 1
1 203 . 9 1 1 A 19 19 ALA HA H 19 4.130 4.136 -0.006 1
1 207 . 9 1 1 A 19 19 ALA C C 19 179.500 180.118 -0.618 1
1 208 . 9 1 1 A 19 19 ALA CA C 19 55.000 55.093 -0.093 1
1 209 . 9 1 1 A 19 19 ALA CB C 19 17.400 17.908 -0.508 1
1 210 . 9 1 1 A 19 19 ALA N N 19 120.000 120.715 -0.715 1
1 211 . 9 1 1 A 20 20 LEU H H 20 8.260 7.975 0.285 1
1 212 . 9 1 1 A 20 20 LEU HA H 20 4.120 4.058 0.062 1
1 221 . 9 1 1 A 20 20 LEU C C 20 177.700 178.540 -0.840 1
1 222 . 9 1 1 A 20 20 LEU CA C 20 57.500 57.746 -0.246 1
1 223 . 9 1 1 A 20 20 LEU CB C 20 42.000 41.500 0.500 1
1 226 . 9 1 1 A 20 20 LEU N N 20 121.900 120.110 1.790 1
1 227 . 9 1 1 A 21 21 MET H H 21 8.020 8.139 -0.119 1
1 228 . 9 1 1 A 21 21 MET HA H 21 4.130 4.167 -0.037 1
1 230 . 9 1 1 A 21 21 MET C C 21 179.300 178.257 1.043 1
1 231 . 9 1 1 A 21 21 MET CA C 21 57.000 58.499 -1.499 1
1 232 . 9 1 1 A 21 21 MET CB C 21 30.300 31.851 -1.551 1
1 233 . 9 1 1 A 21 21 MET N N 21 115.800 119.166 -3.366 1
1 234 . 9 1 1 A 22 22 THR H H 22 7.380 7.664 -0.284 1
1 235 . 9 1 1 A 22 22 THR HA H 22 3.950 3.935 0.015 1
1 240 . 9 1 1 A 22 22 THR C C 22 177.300 175.950 1.350 1
1 241 . 9 1 1 A 22 22 THR CA C 22 66.600 67.361 -0.761 1
1 242 . 9 1 1 A 22 22 THR CB C 22 68.200 68.308 -0.108 1
1 244 . 9 1 1 A 22 22 THR N N 22 116.500 115.321 1.179 1
1 245 . 9 1 1 A 23 23 GLU H H 23 8.650 8.167 0.483 1
1 246 . 9 1 1 A 23 23 GLU HA H 23 3.960 4.046 -0.086 1
1 251 . 9 1 1 A 23 23 GLU C C 23 177.900 178.458 -0.558 1
1 252 . 9 1 1 A 23 23 GLU CA C 23 59.500 59.106 0.394 1
1 253 . 9 1 1 A 23 23 GLU CB C 23 29.600 29.277 0.323 1
1 255 . 9 1 1 A 23 23 GLU N N 23 128.000 121.353 6.647 1
1 256 . 9 1 1 A 24 24 LEU H H 24 8.140 7.778 0.362 1
1 257 . 9 1 1 A 24 24 LEU HA H 24 4.200 4.256 -0.056 1
1 266 . 9 1 1 A 24 24 LEU C C 24 175.800 175.657 0.143 1
1 267 . 9 1 1 A 24 24 LEU CA C 24 54.200 54.875 -0.675 1
1 268 . 9 1 1 A 24 24 LEU CB C 24 41.900 41.906 -0.006 1
1 271 . 9 1 1 A 24 24 LEU N N 24 115.900 118.114 -2.214 1
1 272 . 9 1 1 A 25 25 ASP H H 25 7.980 8.031 -0.051 1
1 273 . 9 1 1 A 25 25 ASP HA H 25 4.440 4.321 0.119 1
1 276 . 9 1 1 A 25 25 ASP C C 25 175.800 175.995 -0.195 1
1 277 . 9 1 1 A 25 25 ASP CA C 25 55.200 55.420 -0.220 1
1 278 . 9 1 1 A 25 25 ASP CB C 25 39.400 39.081 0.319 1
1 279 . 9 1 1 A 25 25 ASP N N 25 118.400 116.600 1.800 1
1 280 . 9 1 1 A 26 26 CYS H H 26 8.510 7.772 0.738 1
1 281 . 9 1 1 A 26 26 CYS HA H 26 4.460 4.558 -0.098 1
1 284 . 9 1 1 A 26 26 CYS C C 26 174.300 174.435 -0.135 1
1 285 . 9 1 1 A 26 26 CYS CA C 26 58.500 58.165 0.335 1
1 286 . 9 1 1 A 26 26 CYS CB C 26 27.100 27.344 -0.244 1
1 287 . 9 1 1 A 26 26 CYS N N 26 117.000 117.209 -0.209 1
1 288 . 9 1 1 A 27 27 THR H H 27 7.810 7.621 0.189 1
1 289 . 9 1 1 A 27 27 THR HA H 27 4.450 4.181 0.269 1
1 291 . 9 1 1 A 27 27 THR CA C 27 62.200 64.822 -2.622 1
1 292 . 9 1 1 A 27 27 THR CB C 27 69.400 68.622 0.778 1
1 293 . 9 1 1 A 27 27 THR N N 27 107.800 116.359 -8.559 1
1 294 . 9 1 1 A 29 29 GLY H H 29 8.440 8.513 -0.073 1
1 295 . 9 1 1 A 29 29 GLY HA2 H 29 3.890 4.033 -0.143 1
1 296 . 9 1 1 A 29 29 GLY HA3 H 29 3.970 4.316 -0.346 1
1 297 . 9 1 1 A 29 29 GLY C C 29 173.800 173.724 0.076 1
1 298 . 9 1 1 A 29 29 GLY CA C 29 45.800 44.490 1.310 1
1 299 . 9 1 1 A 29 29 GLY N N 29 108.100 107.518 0.582 1
1 300 . 9 1 1 A 30 30 HIS H H 30 8.210 8.395 -0.185 1
1 301 . 9 1 1 A 30 30 HIS HA H 30 4.650 4.675 -0.025 1
1 305 . 9 1 1 A 30 30 HIS C C 30 173.500 174.860 -1.360 1
1 306 . 9 1 1 A 30 30 HIS CA C 30 55.600 54.585 1.015 1
1 307 . 9 1 1 A 30 30 HIS CB C 30 28.700 27.622 1.078 1
1 309 . 9 1 1 A 30 30 HIS N N 30 117.300 118.570 -1.270 1
1 310 . 9 1 1 A 31 31 PHE H H 31 7.520 8.700 -1.180 1
1 311 . 9 1 1 A 31 31 PHE HA H 31 5.050 4.945 0.105 1
1 316 . 9 1 1 A 31 31 PHE C C 31 175.200 175.434 -0.234 1
1 317 . 9 1 1 A 31 31 PHE CA C 31 58.000 56.843 1.157 1
1 318 . 9 1 1 A 31 31 PHE CB C 31 41.200 41.578 -0.378 1
1 321 . 9 1 1 A 31 31 PHE N N 31 117.000 120.835 -3.835 1
1 322 . 9 1 1 A 32 32 ALA H H 32 9.010 8.954 0.056 1
1 323 . 9 1 1 A 32 32 ALA HA H 32 5.010 5.749 -0.739 1
1 327 . 9 1 1 A 32 32 ALA C C 32 174.800 176.035 -1.235 1
1 328 . 9 1 1 A 32 32 ALA CA C 32 50.400 50.419 -0.019 1
1 329 . 9 1 1 A 32 32 ALA CB C 32 22.500 23.913 -1.413 1
1 330 . 9 1 1 A 32 32 ALA N N 32 123.800 122.864 0.936 1
1 331 . 9 1 1 A 33 33 VAL H H 33 9.350 8.915 0.435 1
1 332 . 9 1 1 A 33 33 VAL HA H 33 5.130 5.126 0.004 1
1 340 . 9 1 1 A 33 33 VAL C C 33 172.400 174.205 -1.805 1
1 341 . 9 1 1 A 33 33 VAL CA C 33 59.700 59.164 0.536 1
1 342 . 9 1 1 A 33 33 VAL CB C 33 35.000 35.624 -0.624 1
1 345 . 9 1 1 A 33 33 VAL N N 33 120.200 112.488 7.712 1
1 346 . 9 1 1 A 34 34 ALA H H 34 9.100 8.657 0.443 1
1 347 . 9 1 1 A 34 34 ALA HA H 34 5.130 5.493 -0.363 1
1 351 . 9 1 1 A 34 34 ALA C C 34 174.900 174.892 0.008 1
1 352 . 9 1 1 A 34 34 ALA CA C 34 49.600 50.698 -1.098 1
1 353 . 9 1 1 A 34 34 ALA CB C 34 21.200 22.419 -1.219 1
1 354 . 9 1 1 A 34 34 ALA N N 34 127.800 124.109 3.691 1
1 355 . 9 1 1 A 35 35 LEU H H 35 8.680 8.956 -0.276 1
1 356 . 9 1 1 A 35 35 LEU HA H 35 4.750 4.782 -0.032 1
1 366 . 9 1 1 A 35 35 LEU C C 35 175.700 175.795 -0.095 1
1 367 . 9 1 1 A 35 35 LEU CA C 35 53.200 53.530 -0.330 1
1 368 . 9 1 1 A 35 35 LEU CB C 35 45.600 44.737 0.863 1
1 372 . 9 1 1 A 35 35 LEU N N 35 125.000 125.091 -0.091 1
1 373 . 9 1 1 A 36 36 ASN H H 36 9.960 8.974 0.986 1
1 374 . 9 1 1 A 36 36 ASN HA H 36 3.890 4.459 -0.569 1
1 379 . 9 1 1 A 36 36 ASN C C 36 174.500 175.098 -0.598 1
1 380 . 9 1 1 A 36 36 ASN CA C 36 54.900 54.703 0.197 1
1 381 . 9 1 1 A 36 36 ASN CB C 36 36.800 36.986 -0.186 1
1 382 . 9 1 1 A 36 36 ASN N N 36 127.300 125.862 1.438 1
1 384 . 9 1 1 A 37 37 TYR H H 37 8.750 8.655 0.095 1
1 385 . 9 1 1 A 37 37 TYR HA H 37 3.720 4.179 -0.459 1
1 392 . 9 1 1 A 37 37 TYR C C 37 174.100 174.265 -0.165 1
1 393 . 9 1 1 A 37 37 TYR CA C 37 59.900 58.894 1.006 1
1 394 . 9 1 1 A 37 37 TYR CB C 37 35.300 36.900 -1.600 1
1 399 . 9 1 1 A 37 37 TYR N N 37 107.500 115.962 -8.462 1
1 400 . 9 1 1 A 38 38 ASP H H 38 7.590 7.762 -0.172 1
1 401 . 9 1 1 A 38 38 ASP HA H 38 5.090 4.721 0.369 1
1 404 . 9 1 1 A 38 38 ASP C C 38 175.400 174.579 0.821 1
1 405 . 9 1 1 A 38 38 ASP CA C 38 53.100 53.827 -0.727 1
1 406 . 9 1 1 A 38 38 ASP CB C 38 42.900 44.529 -1.629 1
1 407 . 9 1 1 A 38 38 ASP N N 38 119.900 120.119 -0.219 1
1 408 . 9 1 1 A 39 39 VAL H H 39 8.590 8.633 -0.043 1
1 409 . 9 1 1 A 39 39 VAL HA H 39 4.220 4.407 -0.187 1
1 417 . 9 1 1 A 39 39 VAL C C 39 176.600 175.315 1.285 1
1 418 . 9 1 1 A 39 39 VAL CA C 39 63.600 62.959 0.641 1
1 419 . 9 1 1 A 39 39 VAL CB C 39 31.700 31.962 -0.262 1
1 422 . 9 1 1 A 39 39 VAL N N 39 124.300 126.118 -1.818 1
1 423 . 9 1 1 A 40 40 VAL H H 40 8.970 8.617 0.353 1
1 424 . 9 1 1 A 40 40 VAL HA H 40 4.600 4.597 0.003 1
1 432 . 9 1 1 A 40 40 VAL CA C 40 59.100 58.753 0.347 1
1 433 . 9 1 1 A 40 40 VAL CB C 40 32.500 33.852 -1.352 1
1 436 . 9 1 1 A 40 40 VAL N N 40 130.800 127.001 3.799 1
1 437 . 9 1 1 A 41 41 PRO HA H 41 4.580 4.705 -0.125 1
1 444 . 9 1 1 A 41 41 PRO C C 41 177.700 177.690 0.010 1
1 445 . 9 1 1 A 41 41 PRO CA C 41 62.800 62.636 0.164 1
1 446 . 9 1 1 A 41 41 PRO CB C 41 32.300 32.644 -0.344 1
1 449 . 9 1 1 A 42 42 ARG H H 42 8.640 8.196 0.444 1
1 450 . 9 1 1 A 42 42 ARG HA H 42 1.890 1.819 0.071 1
1 458 . 9 1 1 A 42 42 ARG C C 42 178.800 176.432 2.368 1
1 459 . 9 1 1 A 42 42 ARG CA C 42 58.100 57.130 0.970 1
1 460 . 9 1 1 A 42 42 ARG CB C 42 29.600 28.694 0.906 1
1 462 . 9 1 1 A 42 42 ARG N N 42 124.000 122.345 1.655 1
1 464 . 9 1 1 A 43 43 GLY H H 43 8.690 8.033 0.657 1
1 465 . 9 1 1 A 43 43 GLY HA2 H 43 3.770 3.843 -0.073 1
1 466 . 9 1 1 A 43 43 GLY HA3 H 43 3.870 3.869 0.001 1
1 467 . 9 1 1 A 43 43 GLY C C 43 174.600 174.487 0.113 1
1 468 . 9 1 1 A 43 43 GLY CA C 43 45.800 45.533 0.267 1
1 469 . 9 1 1 A 43 43 GLY N N 43 106.000 108.796 -2.796 1
1 470 . 9 1 1 A 44 44 LYS H H 44 8.260 8.123 0.137 1
1 471 . 9 1 1 A 44 44 LYS HA H 44 4.840 4.524 0.316 1
1 480 . 9 1 1 A 44 44 LYS C C 44 179.200 177.246 1.954 1
1 481 . 9 1 1 A 44 44 LYS CA C 44 54.500 55.661 -1.161 1
1 482 . 9 1 1 A 44 44 LYS CB C 44 32.900 32.880 0.020 1
1 486 . 9 1 1 A 44 44 LYS N N 44 115.900 118.023 -2.123 1
1 487 . 9 1 1 A 45 45 TRP H H 45 8.120 7.770 0.350 1
1 488 . 9 1 1 A 45 45 TRP HA H 45 4.350 4.390 -0.040 1
1 497 . 9 1 1 A 45 45 TRP C C 45 178.400 178.754 -0.354 1
1 498 . 9 1 1 A 45 45 TRP CA C 45 60.500 59.827 0.673 1
1 499 . 9 1 1 A 45 45 TRP CB C 45 28.500 29.629 -1.129 1
1 505 . 9 1 1 A 45 45 TRP N N 45 124.800 120.561 4.239 1
1 507 . 9 1 1 A 46 46 ASP H H 46 8.950 8.618 0.332 1
1 508 . 9 1 1 A 46 46 ASP HA H 46 4.460 4.519 -0.059 1
1 511 . 9 1 1 A 46 46 ASP C C 46 176.800 177.661 -0.861 1
1 512 . 9 1 1 A 46 46 ASP CA C 46 56.900 56.558 0.342 1
1 513 . 9 1 1 A 46 46 ASP CB C 46 40.400 40.610 -0.210 1
1 514 . 9 1 1 A 46 46 ASP N N 46 117.400 118.044 -0.644 1
1 515 . 9 1 1 A 47 47 GLU H H 47 7.530 7.958 -0.428 1
1 516 . 9 1 1 A 47 47 GLU HA H 47 4.580 4.444 0.136 1
1 521 . 9 1 1 A 47 47 GLU C C 47 175.500 174.760 0.740 1
1 522 . 9 1 1 A 47 47 GLU CA C 47 55.300 56.342 -1.042 1
1 523 . 9 1 1 A 47 47 GLU CB C 47 30.800 30.347 0.453 1
1 525 . 9 1 1 A 47 47 GLU N N 47 114.500 117.009 -2.509 1
1 526 . 9 1 1 A 48 48 THR H H 48 7.230 7.596 -0.366 1
1 527 . 9 1 1 A 48 48 THR HA H 48 4.700 4.777 -0.077 1
1 532 . 9 1 1 A 48 48 THR CA C 48 60.800 58.977 1.823 1
1 533 . 9 1 1 A 48 48 THR CB C 48 70.100 70.177 -0.077 1
1 534 . 9 1 1 A 48 48 THR N N 48 119.900 115.372 4.528 1
1 535 . 9 1 1 A 49 49 PRO HA H 49 4.890 4.507 0.383 1
1 542 . 9 1 1 A 49 49 PRO C C 49 175.400 175.260 0.140 1
1 543 . 9 1 1 A 49 49 PRO CA C 49 62.100 62.671 -0.571 1
1 544 . 9 1 1 A 49 49 PRO CB C 49 32.900 32.433 0.467 1
1 547 . 9 1 1 A 50 50 VAL H H 50 6.960 8.864 -1.904 1
1 548 . 9 1 1 A 50 50 VAL HA H 50 4.030 4.734 -0.704 1
1 556 . 9 1 1 A 50 50 VAL C C 50 173.800 174.693 -0.893 1
1 557 . 9 1 1 A 50 50 VAL CA C 50 61.400 60.521 0.879 1
1 558 . 9 1 1 A 50 50 VAL CB C 50 33.900 33.767 0.133 1
1 561 . 9 1 1 A 50 50 VAL N N 50 119.400 121.132 -1.732 1
1 562 . 9 1 1 A 51 51 THR H H 51 8.940 9.142 -0.202 1
1 563 . 9 1 1 A 51 51 THR HA H 51 4.460 4.815 -0.355 1
1 568 . 9 1 1 A 51 51 THR C C 51 172.300 174.031 -1.731 1
1 569 . 9 1 1 A 51 51 THR CA C 51 60.600 61.165 -0.565 1
1 570 . 9 1 1 A 51 51 THR CB C 51 71.000 70.938 0.062 1
1 571 . 9 1 1 A 51 51 THR N N 51 122.600 124.222 -1.622 1
1 572 . 9 1 1 A 52 52 ALA H H 52 8.150 8.569 -0.419 1
1 573 . 9 1 1 A 52 52 ALA HA H 52 3.940 3.955 -0.015 1
1 577 . 9 1 1 A 52 52 ALA C C 52 179.100 178.228 0.872 1
1 578 . 9 1 1 A 52 52 ALA CA C 52 53.700 53.848 -0.148 1
1 579 . 9 1 1 A 52 52 ALA CB C 52 18.200 18.390 -0.190 1
1 580 . 9 1 1 A 52 52 ALA N N 52 125.400 129.135 -3.735 1
1 581 . 9 1 1 A 53 53 GLY H H 53 9.160 8.743 0.417 1
1 582 . 9 1 1 A 53 53 GLY HA2 H 53 3.670 4.031 -0.361 1
1 583 . 9 1 1 A 53 53 GLY HA3 H 53 4.310 4.032 0.278 1
1 584 . 9 1 1 A 53 53 GLY C C 53 174.900 174.745 0.155 1
1 585 . 9 1 1 A 53 53 GLY CA C 53 44.700 45.292 -0.592 1
1 586 . 9 1 1 A 53 53 GLY N N 53 111.000 111.343 -0.343 1
1 587 . 9 1 1 A 54 54 ASP H H 54 8.180 7.890 0.290 1
1 588 . 9 1 1 A 54 54 ASP HA H 54 4.700 4.675 0.025 1
1 591 . 9 1 1 A 54 54 ASP C C 54 174.600 175.528 -0.928 1
1 592 . 9 1 1 A 54 54 ASP CA C 54 56.100 54.724 1.376 1
1 593 . 9 1 1 A 54 54 ASP CB C 54 41.800 41.776 0.024 1
1 594 . 9 1 1 A 54 54 ASP N N 54 122.700 121.887 0.813 1
1 595 . 9 1 1 A 55 55 GLU H H 55 8.160 8.698 -0.538 1
1 596 . 9 1 1 A 55 55 GLU HA H 55 4.730 4.651 0.079 1
1 601 . 9 1 1 A 55 55 GLU C C 55 175.000 175.442 -0.442 1
1 602 . 9 1 1 A 55 55 GLU CA C 55 55.100 55.963 -0.863 1
1 603 . 9 1 1 A 55 55 GLU CB C 55 30.500 30.344 0.156 1
1 605 . 9 1 1 A 55 55 GLU N N 55 118.800 123.040 -4.240 1
1 606 . 9 1 1 A 56 56 ILE H H 56 9.320 8.822 0.498 1
1 607 . 9 1 1 A 56 56 ILE HA H 56 4.950 5.076 -0.126 1
1 617 . 9 1 1 A 56 56 ILE C C 56 175.100 174.979 0.121 1
1 618 . 9 1 1 A 56 56 ILE CA C 56 59.800 60.067 -0.267 1
1 619 . 9 1 1 A 56 56 ILE CB C 56 40.200 40.265 -0.065 1
1 623 . 9 1 1 A 56 56 ILE N N 56 127.400 128.304 -0.904 1
1 624 . 9 1 1 A 57 57 GLU H H 57 9.170 8.765 0.405 1
1 625 . 9 1 1 A 57 57 GLU HA H 57 5.000 4.962 0.038 1
1 630 . 9 1 1 A 57 57 GLU C C 57 174.100 175.059 -0.959 1
1 631 . 9 1 1 A 57 57 GLU CA C 57 54.400 54.554 -0.154 1
1 632 . 9 1 1 A 57 57 GLU CB C 57 32.900 33.061 -0.161 1
1 634 . 9 1 1 A 57 57 GLU N N 57 129.600 126.258 3.342 1
1 635 . 9 1 1 A 58 58 ILE H H 58 9.500 8.889 0.611 1
1 636 . 9 1 1 A 58 58 ILE HA H 58 4.610 4.982 -0.372 1
1 646 . 9 1 1 A 58 58 ILE C C 58 175.900 175.137 0.763 1
1 647 . 9 1 1 A 58 58 ILE CA C 58 59.900 59.308 0.592 1
1 648 . 9 1 1 A 58 58 ILE CB C 58 37.800 38.650 -0.850 1
1 652 . 9 1 1 A 58 58 ILE N N 58 126.500 124.516 1.984 1
1 653 . 9 1 1 A 59 59 LEU H H 59 9.150 9.148 0.002 1
1 654 . 9 1 1 A 59 59 LEU HA H 59 4.840 5.182 -0.342 1
1 663 . 9 1 1 A 59 59 LEU C C 59 175.800 176.048 -0.248 1
1 664 . 9 1 1 A 59 59 LEU CA C 59 53.800 53.384 0.416 1
1 665 . 9 1 1 A 59 59 LEU CB C 59 44.300 45.256 -0.956 1
1 668 . 9 1 1 A 59 59 LEU N N 59 129.800 128.769 1.031 1
1 669 . 9 1 1 A 60 60 THR H H 60 8.470 8.794 -0.324 1
1 673 . 9 1 1 A 60 60 THR CA C 60 58.200 58.994 -0.794 1
1 674 . 9 1 1 A 60 60 THR CB C 60 69.900 69.921 -0.021 1
1 676 . 9 1 1 A 60 60 THR N N 60 114.300 118.806 -4.506 1
1 677 . 9 1 1 A 61 61 PRO HA H 61 4.400 4.370 0.030 1
1 680 . 9 1 1 A 61 61 PRO CA C 61 63.200 63.761 -0.561 1
1 681 . 9 1 1 A 61 61 PRO CB C 61 32.100 32.097 0.003 1
1 682 . 9 1 1 A 62 62 ARG HA H 62 4.260 3.987 0.273 1
1 689 . 9 1 1 A 62 62 ARG C C 62 176.500 176.513 -0.013 1
1 690 . 9 1 1 A 62 62 ARG CA C 62 56.500 56.773 -0.273 1
1 691 . 9 1 1 A 62 62 ARG CB C 62 30.500 28.664 1.836 1
1 694 . 9 1 1 A 63 63 GLN H H 63 8.500 7.994 0.506 1
1 695 . 9 1 1 A 63 63 GLN HA H 63 4.250 4.321 -0.071 1
1 702 . 9 1 1 A 63 63 GLN C C 63 176.400 175.883 0.517 1
1 703 . 9 1 1 A 63 63 GLN CA C 63 56.000 56.931 -0.931 1
1 704 . 9 1 1 A 63 63 GLN CB C 63 29.200 29.808 -0.608 1
1 706 . 9 1 1 A 63 63 GLN N N 63 121.700 120.194 1.506 1
1 708 . 9 1 1 A 64 64 GLY H H 64 8.330 7.849 0.481 1
1 709 . 9 1 1 A 64 64 GLY HA2 H 64 3.940 4.093 -0.153 1
1 710 . 9 1 1 A 64 64 GLY HA3 H 64 3.940 4.094 -0.154 1
1 711 . 9 1 1 A 64 64 GLY C C 64 174.500 174.350 0.150 1
1 712 . 9 1 1 A 64 64 GLY CA C 64 45.300 45.653 -0.353 1
1 713 . 9 1 1 A 64 64 GLY N N 64 110.100 106.793 3.307 1
1 714 . 9 1 1 A 65 65 GLY H H 65 8.260 8.344 -0.084 1
1 715 . 9 1 1 A 65 65 GLY HA2 H 65 3.940 3.910 0.030 1
1 716 . 9 1 1 A 65 65 GLY HA3 H 65 3.940 3.922 0.018 1
1 717 . 9 1 1 A 65 65 GLY C C 65 174.200 175.371 -1.171 1
1 718 . 9 1 1 A 65 65 GLY CA C 65 45.200 46.824 -1.624 1
1 719 . 9 1 1 A 65 65 GLY N N 65 108.500 108.084 0.416 1
1 720 . 9 1 1 A 66 66 LEU H H 66 8.200 7.986 0.214 1
1 721 . 9 1 1 A 66 66 LEU HA H 66 4.250 4.262 -0.012 1
1 730 . 9 1 1 A 66 66 LEU C C 66 177.400 178.317 -0.917 1
1 731 . 9 1 1 A 66 66 LEU CA C 66 55.200 55.771 -0.571 1
1 732 . 9 1 1 A 66 66 LEU CB C 66 42.300 41.931 0.369 1
1 736 . 9 1 1 A 66 66 LEU N N 66 121.200 119.689 1.511 1
1 737 . 9 1 1 A 67 67 GLU H H 67 8.460 7.846 0.614 1
1 738 . 9 1 1 A 67 67 GLU HA H 67 4.170 4.391 -0.221 1
1 743 . 9 1 1 A 67 67 GLU CA C 67 56.500 57.580 -1.080 1
1 744 . 9 1 1 A 67 67 GLU CB C 67 30.000 30.210 -0.210 1
1 2 . 10 1 1 A 2 2 LEU H H 2 8.810 7.668 1.142 1
1 3 . 10 1 1 A 2 2 LEU HA H 2 4.930 4.235 0.695 1
1 12 . 10 1 1 A 2 2 LEU C C 2 175.900 176.213 -0.313 1
1 13 . 10 1 1 A 2 2 LEU CA C 2 55.100 54.855 0.245 1
1 14 . 10 1 1 A 2 2 LEU CB C 2 42.600 42.385 0.215 1
1 17 . 10 1 1 A 2 2 LEU N N 2 127.000 120.653 6.347 1
1 18 . 10 1 1 A 3 3 VAL H H 3 8.670 8.915 -0.245 1
1 19 . 10 1 1 A 3 3 VAL HA H 3 4.580 4.851 -0.271 1
1 27 . 10 1 1 A 3 3 VAL C C 3 174.000 174.612 -0.612 1
1 28 . 10 1 1 A 3 3 VAL CA C 3 59.400 59.917 -0.517 1
1 29 . 10 1 1 A 3 3 VAL CB C 3 35.500 34.341 1.159 1
1 32 . 10 1 1 A 3 3 VAL N N 3 119.900 120.028 -0.128 1
1 33 . 10 1 1 A 4 4 THR H H 4 8.310 8.879 -0.569 1
1 34 . 10 1 1 A 4 4 THR HA H 4 4.850 4.858 -0.008 1
1 39 . 10 1 1 A 4 4 THR C C 4 173.600 173.964 -0.364 1
1 40 . 10 1 1 A 4 4 THR CA C 4 61.700 62.205 -0.505 1
1 41 . 10 1 1 A 4 4 THR CB C 4 69.500 69.099 0.401 1
1 43 . 10 1 1 A 4 4 THR N N 4 116.000 121.096 -5.096 1
1 44 . 10 1 1 A 5 5 ILE H H 5 9.060 9.046 0.014 1
1 45 . 10 1 1 A 5 5 ILE HA H 5 4.830 4.718 0.112 1
1 55 . 10 1 1 A 5 5 ILE C C 5 176.100 175.872 0.228 1
1 56 . 10 1 1 A 5 5 ILE CA C 5 59.400 60.228 -0.828 1
1 57 . 10 1 1 A 5 5 ILE CB C 5 39.300 39.963 -0.663 1
1 61 . 10 1 1 A 5 5 ILE N N 5 125.000 127.051 -2.051 1
1 62 . 10 1 1 A 6 6 ASN H H 6 9.480 9.429 0.051 1
1 63 . 10 1 1 A 6 6 ASN HA H 6 4.510 4.455 0.055 1
1 68 . 10 1 1 A 6 6 ASN C C 6 175.700 175.583 0.117 1
1 69 . 10 1 1 A 6 6 ASN CA C 6 54.100 54.633 -0.533 1
1 70 . 10 1 1 A 6 6 ASN CB C 6 36.100 37.243 -1.143 1
1 71 . 10 1 1 A 6 6 ASN N N 6 129.500 127.301 2.199 1
1 73 . 10 1 1 A 7 7 GLY H H 7 8.860 8.632 0.228 1
1 74 . 10 1 1 A 7 7 GLY HA2 H 7 3.560 3.860 -0.300 1
1 75 . 10 1 1 A 7 7 GLY HA3 H 7 4.180 3.864 0.316 1
1 76 . 10 1 1 A 7 7 GLY C C 7 173.500 173.953 -0.453 1
1 77 . 10 1 1 A 7 7 GLY CA C 7 45.300 45.758 -0.458 1
1 78 . 10 1 1 A 7 7 GLY N N 7 102.200 103.693 -1.493 1
1 79 . 10 1 1 A 8 8 GLU H H 8 7.790 7.875 -0.085 1
1 80 . 10 1 1 A 8 8 GLU HA H 8 4.690 4.854 -0.164 1
1 85 . 10 1 1 A 8 8 GLU C C 8 175.300 175.446 -0.146 1
1 86 . 10 1 1 A 8 8 GLU CA C 8 54.200 54.345 -0.145 1
1 87 . 10 1 1 A 8 8 GLU CB C 8 32.300 33.459 -1.159 1
1 89 . 10 1 1 A 8 8 GLU N N 8 120.900 119.619 1.281 1
1 90 . 10 1 1 A 9 9 GLN H H 9 8.940 8.425 0.515 1
1 91 . 10 1 1 A 9 9 GLN HA H 9 4.770 4.689 0.081 1
1 96 . 10 1 1 A 9 9 GLN C C 9 176.000 175.311 0.689 1
1 97 . 10 1 1 A 9 9 GLN CA C 9 56.900 55.959 0.941 1
1 98 . 10 1 1 A 9 9 GLN CB C 9 29.300 28.931 0.369 1
1 100 . 10 1 1 A 9 9 GLN N N 9 125.800 121.770 4.030 1
1 101 . 10 1 1 A 10 10 ARG H H 10 9.230 8.506 0.724 1
1 102 . 10 1 1 A 10 10 ARG HA H 10 4.580 4.751 -0.171 1
1 110 . 10 1 1 A 10 10 ARG C C 10 173.300 173.597 -0.297 1
1 111 . 10 1 1 A 10 10 ARG CA C 10 54.400 55.132 -0.732 1
1 112 . 10 1 1 A 10 10 ARG CB C 10 34.400 34.466 -0.066 1
1 115 . 10 1 1 A 10 10 ARG N N 10 125.200 123.828 1.372 1
1 117 . 10 1 1 A 11 11 GLU H H 11 8.380 8.561 -0.181 1
1 118 . 10 1 1 A 11 11 GLU HA H 11 4.860 5.160 -0.300 1
1 123 . 10 1 1 A 11 11 GLU C C 11 176.900 176.054 0.846 1
1 124 . 10 1 1 A 11 11 GLU CA C 11 54.800 54.723 0.077 1
1 125 . 10 1 1 A 11 11 GLU CB C 11 30.000 33.050 -3.050 1
1 127 . 10 1 1 A 11 11 GLU N N 11 123.300 123.404 -0.104 1
1 128 . 10 1 1 A 12 12 VAL H H 12 9.070 8.778 0.292 1
1 129 . 10 1 1 A 12 12 VAL HA H 12 4.870 4.760 0.110 1
1 137 . 10 1 1 A 12 12 VAL C C 12 175.200 174.962 0.238 1
1 138 . 10 1 1 A 12 12 VAL CA C 12 58.600 58.855 -0.255 1
1 139 . 10 1 1 A 12 12 VAL CB C 12 34.400 35.182 -0.782 1
1 142 . 10 1 1 A 12 12 VAL N N 12 119.600 117.653 1.947 1
1 143 . 10 1 1 A 13 13 GLN H H 13 10.260 8.716 1.544 1
1 144 . 10 1 1 A 13 13 GLN HA H 13 4.550 4.587 -0.037 1
1 149 . 10 1 1 A 13 13 GLN C C 13 177.700 175.657 2.043 1
1 150 . 10 1 1 A 13 13 GLN CA C 13 55.200 55.480 -0.280 1
1 151 . 10 1 1 A 13 13 GLN CB C 13 30.000 30.183 -0.183 1
1 152 . 10 1 1 A 13 13 GLN N N 13 120.900 120.286 0.614 1
1 153 . 10 1 1 A 14 14 SER H H 14 8.190 7.600 0.590 1
1 154 . 10 1 1 A 14 14 SER HA H 14 4.100 4.403 -0.303 1
1 157 . 10 1 1 A 14 14 SER C C 14 171.700 175.717 -4.017 1
1 158 . 10 1 1 A 14 14 SER CA C 14 61.000 58.486 2.514 1
1 159 . 10 1 1 A 14 14 SER CB C 14 65.300 64.177 1.123 1
1 160 . 10 1 1 A 14 14 SER N N 14 118.500 116.269 2.231 1
1 161 . 10 1 1 A 15 15 ALA H H 15 8.320 8.727 -0.407 1
1 162 . 10 1 1 A 15 15 ALA HA H 15 4.610 4.459 0.151 1
1 166 . 10 1 1 A 15 15 ALA C C 15 177.900 176.881 1.019 1
1 167 . 10 1 1 A 15 15 ALA CA C 15 51.200 52.218 -1.018 1
1 168 . 10 1 1 A 15 15 ALA CB C 15 20.100 19.858 0.242 1
1 169 . 10 1 1 A 15 15 ALA N N 15 118.500 127.094 -8.594 1
1 170 . 10 1 1 A 16 16 SER H H 16 7.480 7.486 -0.006 1
1 171 . 10 1 1 A 16 16 SER HA H 16 5.390 4.844 0.546 1
1 174 . 10 1 1 A 16 16 SER C C 16 174.600 173.949 0.651 1
1 175 . 10 1 1 A 16 16 SER CA C 16 55.600 56.449 -0.849 1
1 176 . 10 1 1 A 16 16 SER CB C 16 67.400 65.412 1.988 1
1 177 . 10 1 1 A 16 16 SER N N 16 112.400 112.351 0.049 1
1 178 . 10 1 1 A 17 17 VAL H H 17 8.810 8.641 0.169 1
1 179 . 10 1 1 A 17 17 VAL HA H 17 3.120 3.517 -0.397 1
1 187 . 10 1 1 A 17 17 VAL C C 17 176.500 177.253 -0.753 1
1 188 . 10 1 1 A 17 17 VAL CA C 17 66.900 66.265 0.635 1
1 189 . 10 1 1 A 17 17 VAL CB C 17 31.300 31.510 -0.210 1
1 192 . 10 1 1 A 17 17 VAL N N 17 122.400 126.424 -4.024 1
1 193 . 10 1 1 A 18 18 ALA H H 18 7.460 8.655 -1.195 1
1 194 . 10 1 1 A 18 18 ALA HA H 18 4.000 4.178 -0.178 1
1 198 . 10 1 1 A 18 18 ALA C C 18 179.600 179.501 0.099 1
1 199 . 10 1 1 A 18 18 ALA CA C 18 55.300 55.580 -0.280 1
1 200 . 10 1 1 A 18 18 ALA CB C 18 18.800 18.303 0.497 1
1 201 . 10 1 1 A 18 18 ALA N N 18 119.300 122.103 -2.803 1
1 202 . 10 1 1 A 19 19 ALA H H 19 7.620 8.209 -0.589 1
1 203 . 10 1 1 A 19 19 ALA HA H 19 4.130 4.157 -0.027 1
1 207 . 10 1 1 A 19 19 ALA C C 19 179.500 180.055 -0.555 1
1 208 . 10 1 1 A 19 19 ALA CA C 19 55.000 55.154 -0.154 1
1 209 . 10 1 1 A 19 19 ALA CB C 19 17.400 18.267 -0.867 1
1 210 . 10 1 1 A 19 19 ALA N N 19 120.000 121.290 -1.290 1
1 211 . 10 1 1 A 20 20 LEU H H 20 8.260 8.093 0.167 1
1 212 . 10 1 1 A 20 20 LEU HA H 20 4.120 4.103 0.017 1
1 221 . 10 1 1 A 20 20 LEU C C 20 177.700 178.833 -1.133 1
1 222 . 10 1 1 A 20 20 LEU CA C 20 57.500 57.792 -0.292 1
1 223 . 10 1 1 A 20 20 LEU CB C 20 42.000 41.562 0.438 1
1 226 . 10 1 1 A 20 20 LEU N N 20 121.900 120.204 1.696 1
1 227 . 10 1 1 A 21 21 MET H H 21 8.020 8.092 -0.072 1
1 228 . 10 1 1 A 21 21 MET HA H 21 4.130 4.154 -0.024 1
1 230 . 10 1 1 A 21 21 MET C C 21 179.300 179.069 0.231 1
1 231 . 10 1 1 A 21 21 MET CA C 21 57.000 58.761 -1.761 1
1 232 . 10 1 1 A 21 21 MET CB C 21 30.300 33.120 -2.820 1
1 233 . 10 1 1 A 21 21 MET N N 21 115.800 117.130 -1.330 1
1 234 . 10 1 1 A 22 22 THR H H 22 7.380 7.810 -0.430 1
1 235 . 10 1 1 A 22 22 THR HA H 22 3.950 3.999 -0.049 1
1 240 . 10 1 1 A 22 22 THR C C 22 177.300 175.966 1.334 1
1 241 . 10 1 1 A 22 22 THR CA C 22 66.600 67.510 -0.910 1
1 242 . 10 1 1 A 22 22 THR CB C 22 68.200 68.210 -0.010 1
1 244 . 10 1 1 A 22 22 THR N N 22 116.500 115.515 0.985 1
1 245 . 10 1 1 A 23 23 GLU H H 23 8.650 8.646 0.004 1
1 246 . 10 1 1 A 23 23 GLU HA H 23 3.960 4.061 -0.101 1
1 251 . 10 1 1 A 23 23 GLU C C 23 177.900 178.469 -0.569 1
1 252 . 10 1 1 A 23 23 GLU CA C 23 59.500 58.786 0.714 1
1 253 . 10 1 1 A 23 23 GLU CB C 23 29.600 29.545 0.055 1
1 255 . 10 1 1 A 23 23 GLU N N 23 128.000 121.443 6.557 1
1 256 . 10 1 1 A 24 24 LEU H H 24 8.140 7.795 0.345 1
1 257 . 10 1 1 A 24 24 LEU HA H 24 4.200 4.235 -0.035 1
1 266 . 10 1 1 A 24 24 LEU C C 24 175.800 175.607 0.193 1
1 267 . 10 1 1 A 24 24 LEU CA C 24 54.200 54.943 -0.743 1
1 268 . 10 1 1 A 24 24 LEU CB C 24 41.900 42.159 -0.259 1
1 271 . 10 1 1 A 24 24 LEU N N 24 115.900 118.106 -2.206 1
1 272 . 10 1 1 A 25 25 ASP H H 25 7.980 8.065 -0.085 1
1 273 . 10 1 1 A 25 25 ASP HA H 25 4.440 4.373 0.067 1
1 276 . 10 1 1 A 25 25 ASP C C 25 175.800 175.731 0.069 1
1 277 . 10 1 1 A 25 25 ASP CA C 25 55.200 55.442 -0.242 1
1 278 . 10 1 1 A 25 25 ASP CB C 25 39.400 38.963 0.437 1
1 279 . 10 1 1 A 25 25 ASP N N 25 118.400 115.971 2.429 1
1 280 . 10 1 1 A 26 26 CYS H H 26 8.510 7.571 0.939 1
1 281 . 10 1 1 A 26 26 CYS HA H 26 4.460 4.156 0.304 1
1 284 . 10 1 1 A 26 26 CYS C C 26 174.300 175.836 -1.536 1
1 285 . 10 1 1 A 26 26 CYS CA C 26 58.500 62.410 -3.910 1
1 286 . 10 1 1 A 26 26 CYS CB C 26 27.100 27.445 -0.345 1
1 287 . 10 1 1 A 26 26 CYS N N 26 117.000 116.937 0.063 1
1 288 . 10 1 1 A 27 27 THR H H 27 7.810 7.805 0.005 1
1 289 . 10 1 1 A 27 27 THR HA H 27 4.450 4.548 -0.098 1
1 291 . 10 1 1 A 27 27 THR CA C 27 62.200 62.110 0.090 1
1 292 . 10 1 1 A 27 27 THR CB C 27 69.400 71.317 -1.917 1
1 293 . 10 1 1 A 27 27 THR N N 27 107.800 110.611 -2.811 1
1 294 . 10 1 1 A 29 29 GLY H H 29 8.440 7.744 0.696 1
1 295 . 10 1 1 A 29 29 GLY HA2 H 29 3.890 4.175 -0.285 1
1 296 . 10 1 1 A 29 29 GLY HA3 H 29 3.970 4.175 -0.205 1
1 297 . 10 1 1 A 29 29 GLY C C 29 173.800 173.936 -0.136 1
1 298 . 10 1 1 A 29 29 GLY CA C 29 45.800 45.766 0.034 1
1 299 . 10 1 1 A 29 29 GLY N N 29 108.100 107.048 1.052 1
1 300 . 10 1 1 A 30 30 HIS H H 30 8.210 8.762 -0.552 1
1 301 . 10 1 1 A 30 30 HIS HA H 30 4.650 4.275 0.375 1
1 305 . 10 1 1 A 30 30 HIS C C 30 173.500 173.354 0.146 1
1 306 . 10 1 1 A 30 30 HIS CA C 30 55.600 57.188 -1.588 1
1 307 . 10 1 1 A 30 30 HIS CB C 30 28.700 29.370 -0.670 1
1 309 . 10 1 1 A 30 30 HIS N N 30 117.300 118.189 -0.889 1
1 310 . 10 1 1 A 31 31 PHE H H 31 7.520 8.148 -0.628 1
1 311 . 10 1 1 A 31 31 PHE HA H 31 5.050 5.215 -0.165 1
1 316 . 10 1 1 A 31 31 PHE C C 31 175.200 174.980 0.220 1
1 317 . 10 1 1 A 31 31 PHE CA C 31 58.000 56.467 1.533 1
1 318 . 10 1 1 A 31 31 PHE CB C 31 41.200 43.249 -2.049 1
1 321 . 10 1 1 A 31 31 PHE N N 31 117.000 119.152 -2.152 1
1 322 . 10 1 1 A 32 32 ALA H H 32 9.010 8.923 0.087 1
1 323 . 10 1 1 A 32 32 ALA HA H 32 5.010 5.476 -0.466 1
1 327 . 10 1 1 A 32 32 ALA C C 32 174.800 177.198 -2.398 1
1 328 . 10 1 1 A 32 32 ALA CA C 32 50.400 50.770 -0.370 1
1 329 . 10 1 1 A 32 32 ALA CB C 32 22.500 21.945 0.555 1
1 330 . 10 1 1 A 32 32 ALA N N 32 123.800 124.151 -0.351 1
1 331 . 10 1 1 A 33 33 VAL H H 33 9.350 8.978 0.372 1
1 332 . 10 1 1 A 33 33 VAL HA H 33 5.130 5.113 0.017 1
1 340 . 10 1 1 A 33 33 VAL C C 33 172.400 174.255 -1.855 1
1 341 . 10 1 1 A 33 33 VAL CA C 33 59.700 59.133 0.567 1
1 342 . 10 1 1 A 33 33 VAL CB C 33 35.000 35.663 -0.663 1
1 345 . 10 1 1 A 33 33 VAL N N 33 120.200 112.520 7.680 1
1 346 . 10 1 1 A 34 34 ALA H H 34 9.100 9.074 0.026 1
1 347 . 10 1 1 A 34 34 ALA HA H 34 5.130 5.407 -0.277 1
1 351 . 10 1 1 A 34 34 ALA C C 34 174.900 174.854 0.046 1
1 352 . 10 1 1 A 34 34 ALA CA C 34 49.600 50.533 -0.933 1
1 353 . 10 1 1 A 34 34 ALA CB C 34 21.200 22.141 -0.941 1
1 354 . 10 1 1 A 34 34 ALA N N 34 127.800 123.948 3.852 1
1 355 . 10 1 1 A 35 35 LEU H H 35 8.680 8.988 -0.308 1
1 356 . 10 1 1 A 35 35 LEU HA H 35 4.750 4.871 -0.121 1
1 366 . 10 1 1 A 35 35 LEU C C 35 175.700 175.597 0.103 1
1 367 . 10 1 1 A 35 35 LEU CA C 35 53.200 53.308 -0.108 1
1 368 . 10 1 1 A 35 35 LEU CB C 35 45.600 44.450 1.150 1
1 372 . 10 1 1 A 35 35 LEU N N 35 125.000 124.977 0.023 1
1 373 . 10 1 1 A 36 36 ASN H H 36 9.960 9.591 0.369 1
1 374 . 10 1 1 A 36 36 ASN HA H 36 3.890 4.086 -0.196 1
1 379 . 10 1 1 A 36 36 ASN C C 36 174.500 174.258 0.242 1
1 380 . 10 1 1 A 36 36 ASN CA C 36 54.900 54.475 0.425 1
1 381 . 10 1 1 A 36 36 ASN CB C 36 36.800 36.919 -0.119 1
1 382 . 10 1 1 A 36 36 ASN N N 36 127.300 126.369 0.931 1
1 384 . 10 1 1 A 37 37 TYR H H 37 8.750 7.987 0.763 1
1 385 . 10 1 1 A 37 37 TYR HA H 37 3.720 4.144 -0.424 1
1 392 . 10 1 1 A 37 37 TYR C C 37 174.100 174.067 0.033 1
1 393 . 10 1 1 A 37 37 TYR CA C 37 59.900 58.843 1.057 1
1 394 . 10 1 1 A 37 37 TYR CB C 37 35.300 35.478 -0.178 1
1 399 . 10 1 1 A 37 37 TYR N N 37 107.500 110.401 -2.901 1
1 400 . 10 1 1 A 38 38 ASP H H 38 7.590 7.729 -0.139 1
1 401 . 10 1 1 A 38 38 ASP HA H 38 5.090 5.134 -0.044 1
1 404 . 10 1 1 A 38 38 ASP C C 38 175.400 175.037 0.363 1
1 405 . 10 1 1 A 38 38 ASP CA C 38 53.100 53.335 -0.235 1
1 406 . 10 1 1 A 38 38 ASP CB C 38 42.900 43.888 -0.988 1
1 407 . 10 1 1 A 38 38 ASP N N 38 119.900 118.053 1.847 1
1 408 . 10 1 1 A 39 39 VAL H H 39 8.590 8.830 -0.240 1
1 409 . 10 1 1 A 39 39 VAL HA H 39 4.220 4.558 -0.338 1
1 417 . 10 1 1 A 39 39 VAL C C 39 176.600 175.386 1.214 1
1 418 . 10 1 1 A 39 39 VAL CA C 39 63.600 62.973 0.627 1
1 419 . 10 1 1 A 39 39 VAL CB C 39 31.700 32.091 -0.391 1
1 422 . 10 1 1 A 39 39 VAL N N 39 124.300 124.659 -0.359 1
1 423 . 10 1 1 A 40 40 VAL H H 40 8.970 8.552 0.418 1
1 424 . 10 1 1 A 40 40 VAL HA H 40 4.600 4.599 0.001 1
1 432 . 10 1 1 A 40 40 VAL CA C 40 59.100 58.700 0.400 1
1 433 . 10 1 1 A 40 40 VAL CB C 40 32.500 34.435 -1.935 1
1 436 . 10 1 1 A 40 40 VAL N N 40 130.800 127.336 3.464 1
1 437 . 10 1 1 A 41 41 PRO HA H 41 4.580 4.688 -0.108 1
1 444 . 10 1 1 A 41 41 PRO C C 41 177.700 177.208 0.492 1
1 445 . 10 1 1 A 41 41 PRO CA C 41 62.800 62.469 0.331 1
1 446 . 10 1 1 A 41 41 PRO CB C 41 32.300 32.643 -0.343 1
1 449 . 10 1 1 A 42 42 ARG H H 42 8.640 8.387 0.253 1
1 450 . 10 1 1 A 42 42 ARG HA H 42 1.890 2.174 -0.284 1
1 458 . 10 1 1 A 42 42 ARG C C 42 178.800 176.828 1.972 1
1 459 . 10 1 1 A 42 42 ARG CA C 42 58.100 57.939 0.161 1
1 460 . 10 1 1 A 42 42 ARG CB C 42 29.600 29.267 0.333 1
1 462 . 10 1 1 A 42 42 ARG N N 42 124.000 122.025 1.975 1
1 464 . 10 1 1 A 43 43 GLY H H 43 8.690 8.081 0.609 1
1 465 . 10 1 1 A 43 43 GLY HA2 H 43 3.770 3.877 -0.107 1
1 466 . 10 1 1 A 43 43 GLY HA3 H 43 3.870 3.897 -0.027 1
1 467 . 10 1 1 A 43 43 GLY C C 43 174.600 174.377 0.223 1
1 468 . 10 1 1 A 43 43 GLY CA C 43 45.800 45.588 0.212 1
1 469 . 10 1 1 A 43 43 GLY N N 43 106.000 107.942 -1.942 1
1 470 . 10 1 1 A 44 44 LYS H H 44 8.260 7.876 0.384 1
1 471 . 10 1 1 A 44 44 LYS HA H 44 4.840 4.590 0.250 1
1 480 . 10 1 1 A 44 44 LYS C C 44 179.200 177.140 2.060 1
1 481 . 10 1 1 A 44 44 LYS CA C 44 54.500 55.748 -1.248 1
1 482 . 10 1 1 A 44 44 LYS CB C 44 32.900 33.293 -0.393 1
1 486 . 10 1 1 A 44 44 LYS N N 44 115.900 117.820 -1.920 1
1 487 . 10 1 1 A 45 45 TRP H H 45 8.120 7.793 0.327 1
1 488 . 10 1 1 A 45 45 TRP HA H 45 4.350 4.404 -0.054 1
1 497 . 10 1 1 A 45 45 TRP C C 45 178.400 178.476 -0.076 1
1 498 . 10 1 1 A 45 45 TRP CA C 45 60.500 59.943 0.557 1
1 499 . 10 1 1 A 45 45 TRP CB C 45 28.500 29.265 -0.765 1
1 505 . 10 1 1 A 45 45 TRP N N 45 124.800 120.555 4.245 1
1 507 . 10 1 1 A 46 46 ASP H H 46 8.950 8.467 0.483 1
1 508 . 10 1 1 A 46 46 ASP HA H 46 4.460 4.530 -0.070 1
1 511 . 10 1 1 A 46 46 ASP C C 46 176.800 177.779 -0.979 1
1 512 . 10 1 1 A 46 46 ASP CA C 46 56.900 57.634 -0.734 1
1 513 . 10 1 1 A 46 46 ASP CB C 46 40.400 41.006 -0.606 1
1 514 . 10 1 1 A 46 46 ASP N N 46 117.400 120.897 -3.497 1
1 515 . 10 1 1 A 47 47 GLU H H 47 7.530 7.859 -0.329 1
1 516 . 10 1 1 A 47 47 GLU HA H 47 4.580 4.413 0.167 1
1 521 . 10 1 1 A 47 47 GLU C C 47 175.500 175.253 0.247 1
1 522 . 10 1 1 A 47 47 GLU CA C 47 55.300 56.801 -1.501 1
1 523 . 10 1 1 A 47 47 GLU CB C 47 30.800 30.188 0.612 1
1 525 . 10 1 1 A 47 47 GLU N N 47 114.500 116.503 -2.003 1
1 526 . 10 1 1 A 48 48 THR H H 48 7.230 7.517 -0.287 1
1 527 . 10 1 1 A 48 48 THR HA H 48 4.700 4.568 0.132 1
1 532 . 10 1 1 A 48 48 THR CA C 48 60.800 59.210 1.590 1
1 533 . 10 1 1 A 48 48 THR CB C 48 70.100 69.585 0.515 1
1 534 . 10 1 1 A 48 48 THR N N 48 119.900 115.867 4.033 1
1 535 . 10 1 1 A 49 49 PRO HA H 49 4.890 4.867 0.023 1
1 542 . 10 1 1 A 49 49 PRO C C 49 175.400 175.453 -0.053 1
1 543 . 10 1 1 A 49 49 PRO CA C 49 62.100 62.339 -0.239 1
1 544 . 10 1 1 A 49 49 PRO CB C 49 32.900 32.692 0.208 1
1 547 . 10 1 1 A 50 50 VAL H H 50 6.960 8.000 -1.040 1
1 548 . 10 1 1 A 50 50 VAL HA H 50 4.030 4.767 -0.737 1
1 556 . 10 1 1 A 50 50 VAL C C 50 173.800 174.705 -0.905 1
1 557 . 10 1 1 A 50 50 VAL CA C 50 61.400 60.386 1.014 1
1 558 . 10 1 1 A 50 50 VAL CB C 50 33.900 34.509 -0.609 1
1 561 . 10 1 1 A 50 50 VAL N N 50 119.400 120.416 -1.016 1
1 562 . 10 1 1 A 51 51 THR H H 51 8.940 9.163 -0.223 1
1 563 . 10 1 1 A 51 51 THR HA H 51 4.460 4.770 -0.310 1
1 568 . 10 1 1 A 51 51 THR C C 51 172.300 174.165 -1.865 1
1 569 . 10 1 1 A 51 51 THR CA C 51 60.600 61.213 -0.613 1
1 570 . 10 1 1 A 51 51 THR CB C 51 71.000 71.090 -0.090 1
1 571 . 10 1 1 A 51 51 THR N N 51 122.600 124.288 -1.688 1
1 572 . 10 1 1 A 52 52 ALA H H 52 8.150 8.567 -0.417 1
1 573 . 10 1 1 A 52 52 ALA HA H 52 3.940 3.933 0.007 1
1 577 . 10 1 1 A 52 52 ALA C C 52 179.100 178.162 0.938 1
1 578 . 10 1 1 A 52 52 ALA CA C 52 53.700 53.959 -0.259 1
1 579 . 10 1 1 A 52 52 ALA CB C 52 18.200 18.379 -0.179 1
1 580 . 10 1 1 A 52 52 ALA N N 52 125.400 129.073 -3.673 1
1 581 . 10 1 1 A 53 53 GLY H H 53 9.160 8.743 0.417 1
1 582 . 10 1 1 A 53 53 GLY HA2 H 53 3.670 4.028 -0.358 1
1 583 . 10 1 1 A 53 53 GLY HA3 H 53 4.310 4.031 0.279 1
1 584 . 10 1 1 A 53 53 GLY C C 53 174.900 174.199 0.701 1
1 585 . 10 1 1 A 53 53 GLY CA C 53 44.700 45.137 -0.437 1
1 586 . 10 1 1 A 53 53 GLY N N 53 111.000 111.476 -0.476 1
1 587 . 10 1 1 A 54 54 ASP H H 54 8.180 8.119 0.061 1
1 588 . 10 1 1 A 54 54 ASP HA H 54 4.700 4.605 0.095 1
1 591 . 10 1 1 A 54 54 ASP C C 54 174.600 175.134 -0.534 1
1 592 . 10 1 1 A 54 54 ASP CA C 54 56.100 54.220 1.880 1
1 593 . 10 1 1 A 54 54 ASP CB C 54 41.800 41.999 -0.199 1
1 594 . 10 1 1 A 54 54 ASP N N 54 122.700 122.117 0.583 1
1 595 . 10 1 1 A 55 55 GLU H H 55 8.160 8.362 -0.202 1
1 596 . 10 1 1 A 55 55 GLU HA H 55 4.730 4.588 0.142 1
1 601 . 10 1 1 A 55 55 GLU C C 55 175.000 175.201 -0.201 1
1 602 . 10 1 1 A 55 55 GLU CA C 55 55.100 55.776 -0.676 1
1 603 . 10 1 1 A 55 55 GLU CB C 55 30.500 30.234 0.266 1
1 605 . 10 1 1 A 55 55 GLU N N 55 118.800 125.000 -6.200 1
1 606 . 10 1 1 A 56 56 ILE H H 56 9.320 8.473 0.847 1
1 607 . 10 1 1 A 56 56 ILE HA H 56 4.950 5.028 -0.078 1
1 617 . 10 1 1 A 56 56 ILE C C 56 175.100 175.011 0.089 1
1 618 . 10 1 1 A 56 56 ILE CA C 56 59.800 59.983 -0.183 1
1 619 . 10 1 1 A 56 56 ILE CB C 56 40.200 40.708 -0.508 1
1 623 . 10 1 1 A 56 56 ILE N N 56 127.400 128.039 -0.639 1
1 624 . 10 1 1 A 57 57 GLU H H 57 9.170 9.137 0.033 1
1 625 . 10 1 1 A 57 57 GLU HA H 57 5.000 5.141 -0.141 1
1 630 . 10 1 1 A 57 57 GLU C C 57 174.100 175.014 -0.914 1
1 631 . 10 1 1 A 57 57 GLU CA C 57 54.400 54.453 -0.053 1
1 632 . 10 1 1 A 57 57 GLU CB C 57 32.900 33.648 -0.748 1
1 634 . 10 1 1 A 57 57 GLU N N 57 129.600 125.573 4.027 1
1 635 . 10 1 1 A 58 58 ILE H H 58 9.500 8.866 0.634 1
1 636 . 10 1 1 A 58 58 ILE HA H 58 4.610 4.655 -0.045 1
1 646 . 10 1 1 A 58 58 ILE C C 58 175.900 175.460 0.440 1
1 647 . 10 1 1 A 58 58 ILE CA C 58 59.900 59.544 0.356 1
1 648 . 10 1 1 A 58 58 ILE CB C 58 37.800 39.450 -1.650 1
1 652 . 10 1 1 A 58 58 ILE N N 58 126.500 123.959 2.541 1
1 653 . 10 1 1 A 59 59 LEU H H 59 9.150 8.869 0.281 1
1 654 . 10 1 1 A 59 59 LEU HA H 59 4.840 4.594 0.246 1
1 663 . 10 1 1 A 59 59 LEU C C 59 175.800 176.511 -0.711 1
1 664 . 10 1 1 A 59 59 LEU CA C 59 53.800 54.889 -1.089 1
1 665 . 10 1 1 A 59 59 LEU CB C 59 44.300 42.523 1.777 1
1 668 . 10 1 1 A 59 59 LEU N N 59 129.800 128.302 1.498 1
1 669 . 10 1 1 A 60 60 THR H H 60 8.470 8.396 0.074 1
1 673 . 10 1 1 A 60 60 THR CA C 60 58.200 58.959 -0.759 1
1 674 . 10 1 1 A 60 60 THR CB C 60 69.900 68.918 0.982 1
1 676 . 10 1 1 A 60 60 THR N N 60 114.300 115.529 -1.229 1
1 677 . 10 1 1 A 61 61 PRO HA H 61 4.400 4.349 0.051 1
1 680 . 10 1 1 A 61 61 PRO CA C 61 63.200 65.463 -2.263 1
1 681 . 10 1 1 A 61 61 PRO CB C 61 32.100 31.841 0.259 1
1 682 . 10 1 1 A 62 62 ARG HA H 62 4.260 4.045 0.215 1
1 689 . 10 1 1 A 62 62 ARG C C 62 176.500 174.965 1.535 1
1 690 . 10 1 1 A 62 62 ARG CA C 62 56.500 57.019 -0.519 1
1 691 . 10 1 1 A 62 62 ARG CB C 62 30.500 28.781 1.719 1
1 694 . 10 1 1 A 63 63 GLN H H 63 8.500 8.316 0.184 1
1 695 . 10 1 1 A 63 63 GLN HA H 63 4.250 4.374 -0.124 1
1 702 . 10 1 1 A 63 63 GLN C C 63 176.400 176.285 0.115 1
1 703 . 10 1 1 A 63 63 GLN CA C 63 56.000 56.887 -0.887 1
1 704 . 10 1 1 A 63 63 GLN CB C 63 29.200 29.918 -0.718 1
1 706 . 10 1 1 A 63 63 GLN N N 63 121.700 120.605 1.095 1
1 708 . 10 1 1 A 64 64 GLY H H 64 8.330 8.455 -0.125 1
1 709 . 10 1 1 A 64 64 GLY HA2 H 64 3.940 4.098 -0.158 1
1 710 . 10 1 1 A 64 64 GLY HA3 H 64 3.940 4.101 -0.161 1
1 711 . 10 1 1 A 64 64 GLY C C 64 174.500 176.059 -1.559 1
1 712 . 10 1 1 A 64 64 GLY CA C 64 45.300 45.350 -0.050 1
1 713 . 10 1 1 A 64 64 GLY N N 64 110.100 110.905 -0.805 1
1 714 . 10 1 1 A 65 65 GLY H H 65 8.260 8.245 0.015 1
1 715 . 10 1 1 A 65 65 GLY HA2 H 65 3.940 3.739 0.201 1
1 716 . 10 1 1 A 65 65 GLY HA3 H 65 3.940 3.739 0.201 1
1 717 . 10 1 1 A 65 65 GLY C C 65 174.200 174.463 -0.263 1
1 718 . 10 1 1 A 65 65 GLY CA C 65 45.200 47.389 -2.189 1
1 719 . 10 1 1 A 65 65 GLY N N 65 108.500 108.051 0.449 1
1 720 . 10 1 1 A 66 66 LEU H H 66 8.200 7.740 0.460 1
1 721 . 10 1 1 A 66 66 LEU HA H 66 4.250 4.820 -0.570 1
1 730 . 10 1 1 A 66 66 LEU C C 66 177.400 174.215 3.185 1
1 731 . 10 1 1 A 66 66 LEU CA C 66 55.200 54.487 0.713 1
1 732 . 10 1 1 A 66 66 LEU CB C 66 42.300 45.157 -2.857 1
1 736 . 10 1 1 A 66 66 LEU N N 66 121.200 120.012 1.188 1
1 737 . 10 1 1 A 67 67 GLU H H 67 8.460 8.877 -0.417 1
1 738 . 10 1 1 A 67 67 GLU HA H 67 4.170 4.603 -0.433 1
1 743 . 10 1 1 A 67 67 GLU CA C 67 56.500 55.331 1.169 1
1 744 . 10 1 1 A 67 67 GLU CB C 67 30.000 31.451 -1.451 1
1 2 . 11 1 1 A 2 2 LEU H H 2 8.810 8.552 0.258 1
1 3 . 11 1 1 A 2 2 LEU HA H 2 4.930 4.492 0.438 1
1 12 . 11 1 1 A 2 2 LEU C C 2 175.900 176.714 -0.814 1
1 13 . 11 1 1 A 2 2 LEU CA C 2 55.100 54.638 0.462 1
1 14 . 11 1 1 A 2 2 LEU CB C 2 42.600 42.551 0.049 1
1 17 . 11 1 1 A 2 2 LEU N N 2 127.000 125.899 1.101 1
1 18 . 11 1 1 A 3 3 VAL H H 3 8.670 8.992 -0.322 1
1 19 . 11 1 1 A 3 3 VAL HA H 3 4.580 4.800 -0.220 1
1 27 . 11 1 1 A 3 3 VAL C C 3 174.000 174.477 -0.477 1
1 28 . 11 1 1 A 3 3 VAL CA C 3 59.400 59.709 -0.309 1
1 29 . 11 1 1 A 3 3 VAL CB C 3 35.500 34.496 1.004 1
1 32 . 11 1 1 A 3 3 VAL N N 3 119.900 118.906 0.994 1
1 33 . 11 1 1 A 4 4 THR H H 4 8.310 8.792 -0.482 1
1 34 . 11 1 1 A 4 4 THR HA H 4 4.850 4.486 0.364 1
1 39 . 11 1 1 A 4 4 THR C C 4 173.600 173.888 -0.288 1
1 40 . 11 1 1 A 4 4 THR CA C 4 61.700 62.320 -0.620 1
1 41 . 11 1 1 A 4 4 THR CB C 4 69.500 68.715 0.785 1
1 43 . 11 1 1 A 4 4 THR N N 4 116.000 120.914 -4.914 1
1 44 . 11 1 1 A 5 5 ILE H H 5 9.060 9.216 -0.156 1
1 45 . 11 1 1 A 5 5 ILE HA H 5 4.830 4.789 0.041 1
1 55 . 11 1 1 A 5 5 ILE C C 5 176.100 175.819 0.281 1
1 56 . 11 1 1 A 5 5 ILE CA C 5 59.400 60.201 -0.801 1
1 57 . 11 1 1 A 5 5 ILE CB C 5 39.300 39.735 -0.435 1
1 61 . 11 1 1 A 5 5 ILE N N 5 125.000 127.357 -2.357 1
1 62 . 11 1 1 A 6 6 ASN H H 6 9.480 9.455 0.025 1
1 63 . 11 1 1 A 6 6 ASN HA H 6 4.510 4.469 0.041 1
1 68 . 11 1 1 A 6 6 ASN C C 6 175.700 175.554 0.146 1
1 69 . 11 1 1 A 6 6 ASN CA C 6 54.100 54.668 -0.568 1
1 70 . 11 1 1 A 6 6 ASN CB C 6 36.100 37.288 -1.188 1
1 71 . 11 1 1 A 6 6 ASN N N 6 129.500 127.457 2.043 1
1 73 . 11 1 1 A 7 7 GLY H H 7 8.860 8.630 0.230 1
1 74 . 11 1 1 A 7 7 GLY HA2 H 7 3.560 3.858 -0.298 1
1 75 . 11 1 1 A 7 7 GLY HA3 H 7 4.180 3.862 0.318 1
1 76 . 11 1 1 A 7 7 GLY C C 7 173.500 173.754 -0.254 1
1 77 . 11 1 1 A 7 7 GLY CA C 7 45.300 45.628 -0.328 1
1 78 . 11 1 1 A 7 7 GLY N N 7 102.200 103.674 -1.474 1
1 79 . 11 1 1 A 8 8 GLU H H 8 7.790 8.019 -0.229 1
1 80 . 11 1 1 A 8 8 GLU HA H 8 4.690 4.781 -0.091 1
1 85 . 11 1 1 A 8 8 GLU C C 8 175.300 175.496 -0.196 1
1 86 . 11 1 1 A 8 8 GLU CA C 8 54.200 54.564 -0.364 1
1 87 . 11 1 1 A 8 8 GLU CB C 8 32.300 32.862 -0.562 1
1 89 . 11 1 1 A 8 8 GLU N N 8 120.900 119.919 0.981 1
1 90 . 11 1 1 A 9 9 GLN H H 9 8.940 8.619 0.321 1
1 91 . 11 1 1 A 9 9 GLN HA H 9 4.770 4.639 0.131 1
1 96 . 11 1 1 A 9 9 GLN C C 9 176.000 175.152 0.848 1
1 97 . 11 1 1 A 9 9 GLN CA C 9 56.900 56.075 0.825 1
1 98 . 11 1 1 A 9 9 GLN CB C 9 29.300 28.993 0.307 1
1 100 . 11 1 1 A 9 9 GLN N N 9 125.800 123.017 2.783 1
1 101 . 11 1 1 A 10 10 ARG H H 10 9.230 8.722 0.508 1
1 102 . 11 1 1 A 10 10 ARG HA H 10 4.580 4.825 -0.245 1
1 110 . 11 1 1 A 10 10 ARG C C 10 173.300 173.845 -0.545 1
1 111 . 11 1 1 A 10 10 ARG CA C 10 54.400 54.716 -0.316 1
1 112 . 11 1 1 A 10 10 ARG CB C 10 34.400 34.376 0.024 1
1 115 . 11 1 1 A 10 10 ARG N N 10 125.200 123.931 1.269 1
1 117 . 11 1 1 A 11 11 GLU H H 11 8.380 8.870 -0.490 1
1 118 . 11 1 1 A 11 11 GLU HA H 11 4.860 4.874 -0.014 1
1 123 . 11 1 1 A 11 11 GLU C C 11 176.900 175.814 1.086 1
1 124 . 11 1 1 A 11 11 GLU CA C 11 54.800 55.414 -0.614 1
1 125 . 11 1 1 A 11 11 GLU CB C 11 30.000 31.631 -1.631 1
1 127 . 11 1 1 A 11 11 GLU N N 11 123.300 126.643 -3.343 1
1 128 . 11 1 1 A 12 12 VAL H H 12 9.070 8.986 0.084 1
1 129 . 11 1 1 A 12 12 VAL HA H 12 4.870 4.747 0.123 1
1 137 . 11 1 1 A 12 12 VAL C C 12 175.200 175.352 -0.152 1
1 138 . 11 1 1 A 12 12 VAL CA C 12 58.600 59.538 -0.938 1
1 139 . 11 1 1 A 12 12 VAL CB C 12 34.400 34.926 -0.526 1
1 142 . 11 1 1 A 12 12 VAL N N 12 119.600 122.922 -3.322 1
1 143 . 11 1 1 A 13 13 GLN H H 13 10.260 8.644 1.616 1
1 144 . 11 1 1 A 13 13 GLN HA H 13 4.550 4.435 0.115 1
1 149 . 11 1 1 A 13 13 GLN C C 13 177.700 176.126 1.574 1
1 150 . 11 1 1 A 13 13 GLN CA C 13 55.200 56.398 -1.198 1
1 151 . 11 1 1 A 13 13 GLN CB C 13 30.000 29.100 0.900 1
1 152 . 11 1 1 A 13 13 GLN N N 13 120.900 122.822 -1.922 1
1 153 . 11 1 1 A 14 14 SER H H 14 8.190 7.699 0.491 1
1 154 . 11 1 1 A 14 14 SER HA H 14 4.100 4.293 -0.193 1
1 157 . 11 1 1 A 14 14 SER C C 14 171.700 174.567 -2.867 1
1 158 . 11 1 1 A 14 14 SER CA C 14 61.000 60.037 0.963 1
1 159 . 11 1 1 A 14 14 SER CB C 14 65.300 63.744 1.556 1
1 160 . 11 1 1 A 14 14 SER N N 14 118.500 116.441 2.059 1
1 161 . 11 1 1 A 15 15 ALA H H 15 8.320 8.778 -0.458 1
1 162 . 11 1 1 A 15 15 ALA HA H 15 4.610 4.491 0.119 1
1 166 . 11 1 1 A 15 15 ALA C C 15 177.900 177.055 0.845 1
1 167 . 11 1 1 A 15 15 ALA CA C 15 51.200 52.240 -1.040 1
1 168 . 11 1 1 A 15 15 ALA CB C 15 20.100 20.047 0.053 1
1 169 . 11 1 1 A 15 15 ALA N N 15 118.500 126.218 -7.718 1
1 170 . 11 1 1 A 16 16 SER H H 16 7.480 7.766 -0.286 1
1 171 . 11 1 1 A 16 16 SER HA H 16 5.390 4.830 0.560 1
1 174 . 11 1 1 A 16 16 SER C C 16 174.600 173.613 0.987 1
1 175 . 11 1 1 A 16 16 SER CA C 16 55.600 57.499 -1.899 1
1 176 . 11 1 1 A 16 16 SER CB C 16 67.400 67.330 0.070 1
1 177 . 11 1 1 A 16 16 SER N N 16 112.400 113.245 -0.845 1
1 178 . 11 1 1 A 17 17 VAL H H 17 8.810 8.673 0.137 1
1 179 . 11 1 1 A 17 17 VAL HA H 17 3.120 3.496 -0.376 1
1 187 . 11 1 1 A 17 17 VAL C C 17 176.500 177.279 -0.779 1
1 188 . 11 1 1 A 17 17 VAL CA C 17 66.900 66.243 0.657 1
1 189 . 11 1 1 A 17 17 VAL CB C 17 31.300 31.471 -0.171 1
1 192 . 11 1 1 A 17 17 VAL N N 17 122.400 123.246 -0.846 1
1 193 . 11 1 1 A 18 18 ALA H H 18 7.460 8.666 -1.206 1
1 194 . 11 1 1 A 18 18 ALA HA H 18 4.000 3.990 0.010 1
1 198 . 11 1 1 A 18 18 ALA C C 18 179.600 179.345 0.255 1
1 199 . 11 1 1 A 18 18 ALA CA C 18 55.300 55.827 -0.527 1
1 200 . 11 1 1 A 18 18 ALA CB C 18 18.800 18.021 0.779 1
1 201 . 11 1 1 A 18 18 ALA N N 18 119.300 122.129 -2.829 1
1 202 . 11 1 1 A 19 19 ALA H H 19 7.620 7.836 -0.216 1
1 203 . 11 1 1 A 19 19 ALA HA H 19 4.130 4.118 0.012 1
1 207 . 11 1 1 A 19 19 ALA C C 19 179.500 180.107 -0.607 1
1 208 . 11 1 1 A 19 19 ALA CA C 19 55.000 55.055 -0.055 1
1 209 . 11 1 1 A 19 19 ALA CB C 19 17.400 17.598 -0.198 1
1 210 . 11 1 1 A 19 19 ALA N N 19 120.000 120.828 -0.828 1
1 211 . 11 1 1 A 20 20 LEU H H 20 8.260 8.003 0.257 1
1 212 . 11 1 1 A 20 20 LEU HA H 20 4.120 4.170 -0.050 1
1 221 . 11 1 1 A 20 20 LEU C C 20 177.700 178.433 -0.733 1
1 222 . 11 1 1 A 20 20 LEU CA C 20 57.500 57.747 -0.247 1
1 223 . 11 1 1 A 20 20 LEU CB C 20 42.000 41.522 0.478 1
1 226 . 11 1 1 A 20 20 LEU N N 20 121.900 120.132 1.768 1
1 227 . 11 1 1 A 21 21 MET H H 21 8.020 8.289 -0.269 1
1 228 . 11 1 1 A 21 21 MET HA H 21 4.130 4.160 -0.030 1
1 230 . 11 1 1 A 21 21 MET C C 21 179.300 178.262 1.038 1
1 231 . 11 1 1 A 21 21 MET CA C 21 57.000 58.465 -1.465 1
1 232 . 11 1 1 A 21 21 MET CB C 21 30.300 31.849 -1.549 1
1 233 . 11 1 1 A 21 21 MET N N 21 115.800 119.185 -3.385 1
1 234 . 11 1 1 A 22 22 THR H H 22 7.380 7.667 -0.287 1
1 235 . 11 1 1 A 22 22 THR HA H 22 3.950 3.963 -0.013 1
1 240 . 11 1 1 A 22 22 THR C C 22 177.300 176.990 0.310 1
1 241 . 11 1 1 A 22 22 THR CA C 22 66.600 67.385 -0.785 1
1 242 . 11 1 1 A 22 22 THR CB C 22 68.200 68.180 0.020 1
1 244 . 11 1 1 A 22 22 THR N N 22 116.500 115.545 0.955 1
1 245 . 11 1 1 A 23 23 GLU H H 23 8.650 8.172 0.478 1
1 246 . 11 1 1 A 23 23 GLU HA H 23 3.960 4.004 -0.044 1
1 251 . 11 1 1 A 23 23 GLU C C 23 177.900 178.377 -0.477 1
1 252 . 11 1 1 A 23 23 GLU CA C 23 59.500 59.374 0.126 1
1 253 . 11 1 1 A 23 23 GLU CB C 23 29.600 29.044 0.556 1
1 255 . 11 1 1 A 23 23 GLU N N 23 128.000 120.280 7.720 1
1 256 . 11 1 1 A 24 24 LEU H H 24 8.140 7.912 0.228 1
1 257 . 11 1 1 A 24 24 LEU HA H 24 4.200 4.258 -0.058 1
1 266 . 11 1 1 A 24 24 LEU C C 24 175.800 175.691 0.109 1
1 267 . 11 1 1 A 24 24 LEU CA C 24 54.200 54.890 -0.690 1
1 268 . 11 1 1 A 24 24 LEU CB C 24 41.900 41.920 -0.020 1
1 271 . 11 1 1 A 24 24 LEU N N 24 115.900 118.019 -2.119 1
1 272 . 11 1 1 A 25 25 ASP H H 25 7.980 7.972 0.008 1
1 273 . 11 1 1 A 25 25 ASP HA H 25 4.440 4.326 0.114 1
1 276 . 11 1 1 A 25 25 ASP C C 25 175.800 175.759 0.041 1
1 277 . 11 1 1 A 25 25 ASP CA C 25 55.200 55.448 -0.248 1
1 278 . 11 1 1 A 25 25 ASP CB C 25 39.400 38.758 0.642 1
1 279 . 11 1 1 A 25 25 ASP N N 25 118.400 116.094 2.306 1
1 280 . 11 1 1 A 26 26 CYS H H 26 8.510 7.604 0.906 1
1 281 . 11 1 1 A 26 26 CYS HA H 26 4.460 4.014 0.446 1
1 284 . 11 1 1 A 26 26 CYS C C 26 174.300 175.279 -0.979 1
1 285 . 11 1 1 A 26 26 CYS CA C 26 58.500 63.848 -5.348 1
1 286 . 11 1 1 A 26 26 CYS CB C 26 27.100 27.218 -0.118 1
1 287 . 11 1 1 A 26 26 CYS N N 26 117.000 116.536 0.464 1
1 288 . 11 1 1 A 27 27 THR H H 27 7.810 8.043 -0.233 1
1 289 . 11 1 1 A 27 27 THR HA H 27 4.450 4.108 0.342 1
1 291 . 11 1 1 A 27 27 THR CA C 27 62.200 63.034 -0.834 1
1 292 . 11 1 1 A 27 27 THR CB C 27 69.400 66.759 2.641 1
1 293 . 11 1 1 A 27 27 THR N N 27 107.800 113.906 -6.106 1
1 294 . 11 1 1 A 29 29 GLY H H 29 8.440 8.909 -0.469 1
1 295 . 11 1 1 A 29 29 GLY HA2 H 29 3.890 3.926 -0.036 1
1 296 . 11 1 1 A 29 29 GLY HA3 H 29 3.970 3.947 0.023 1
1 297 . 11 1 1 A 29 29 GLY C C 29 173.800 174.883 -1.083 1
1 298 . 11 1 1 A 29 29 GLY CA C 29 45.800 45.698 0.102 1
1 299 . 11 1 1 A 29 29 GLY N N 29 108.100 114.136 -6.036 1
1 300 . 11 1 1 A 30 30 HIS H H 30 8.210 7.998 0.212 1
1 301 . 11 1 1 A 30 30 HIS HA H 30 4.650 4.546 0.104 1
1 305 . 11 1 1 A 30 30 HIS C C 30 173.500 175.133 -1.633 1
1 306 . 11 1 1 A 30 30 HIS CA C 30 55.600 57.163 -1.563 1
1 307 . 11 1 1 A 30 30 HIS CB C 30 28.700 29.984 -1.284 1
1 309 . 11 1 1 A 30 30 HIS N N 30 117.300 120.196 -2.896 1
1 310 . 11 1 1 A 31 31 PHE H H 31 7.520 8.028 -0.508 1
1 311 . 11 1 1 A 31 31 PHE HA H 31 5.050 4.982 0.068 1
1 316 . 11 1 1 A 31 31 PHE C C 31 175.200 175.490 -0.290 1
1 317 . 11 1 1 A 31 31 PHE CA C 31 58.000 56.936 1.064 1
1 318 . 11 1 1 A 31 31 PHE CB C 31 41.200 41.197 0.003 1
1 321 . 11 1 1 A 31 31 PHE N N 31 117.000 118.609 -1.609 1
1 322 . 11 1 1 A 32 32 ALA H H 32 9.010 8.970 0.040 1
1 323 . 11 1 1 A 32 32 ALA HA H 32 5.010 5.765 -0.755 1
1 327 . 11 1 1 A 32 32 ALA C C 32 174.800 176.015 -1.215 1
1 328 . 11 1 1 A 32 32 ALA CA C 32 50.400 50.188 0.212 1
1 329 . 11 1 1 A 32 32 ALA CB C 32 22.500 23.435 -0.935 1
1 330 . 11 1 1 A 32 32 ALA N N 32 123.800 123.047 0.753 1
1 331 . 11 1 1 A 33 33 VAL H H 33 9.350 8.941 0.409 1
1 332 . 11 1 1 A 33 33 VAL HA H 33 5.130 5.096 0.034 1
1 340 . 11 1 1 A 33 33 VAL C C 33 172.400 174.227 -1.827 1
1 341 . 11 1 1 A 33 33 VAL CA C 33 59.700 59.186 0.514 1
1 342 . 11 1 1 A 33 33 VAL CB C 33 35.000 35.639 -0.639 1
1 345 . 11 1 1 A 33 33 VAL N N 33 120.200 112.606 7.594 1
1 346 . 11 1 1 A 34 34 ALA H H 34 9.100 8.699 0.401 1
1 347 . 11 1 1 A 34 34 ALA HA H 34 5.130 5.460 -0.330 1
1 351 . 11 1 1 A 34 34 ALA C C 34 174.900 175.028 -0.128 1
1 352 . 11 1 1 A 34 34 ALA CA C 34 49.600 50.582 -0.982 1
1 353 . 11 1 1 A 34 34 ALA CB C 34 21.200 22.634 -1.434 1
1 354 . 11 1 1 A 34 34 ALA N N 34 127.800 124.047 3.753 1
1 355 . 11 1 1 A 35 35 LEU H H 35 8.680 9.126 -0.446 1
1 356 . 11 1 1 A 35 35 LEU HA H 35 4.750 4.741 0.009 1
1 366 . 11 1 1 A 35 35 LEU C C 35 175.700 175.729 -0.029 1
1 367 . 11 1 1 A 35 35 LEU CA C 35 53.200 53.599 -0.399 1
1 368 . 11 1 1 A 35 35 LEU CB C 35 45.600 44.681 0.919 1
1 372 . 11 1 1 A 35 35 LEU N N 35 125.000 124.524 0.476 1
1 373 . 11 1 1 A 36 36 ASN H H 36 9.960 8.856 1.104 1
1 374 . 11 1 1 A 36 36 ASN HA H 36 3.890 4.334 -0.444 1
1 379 . 11 1 1 A 36 36 ASN C C 36 174.500 174.350 0.150 1
1 380 . 11 1 1 A 36 36 ASN CA C 36 54.900 54.587 0.313 1
1 381 . 11 1 1 A 36 36 ASN CB C 36 36.800 36.927 -0.127 1
1 382 . 11 1 1 A 36 36 ASN N N 36 127.300 126.137 1.163 1
1 384 . 11 1 1 A 37 37 TYR H H 37 8.750 8.034 0.716 1
1 385 . 11 1 1 A 37 37 TYR HA H 37 3.720 4.160 -0.440 1
1 392 . 11 1 1 A 37 37 TYR C C 37 174.100 173.851 0.249 1
1 393 . 11 1 1 A 37 37 TYR CA C 37 59.900 58.742 1.158 1
1 394 . 11 1 1 A 37 37 TYR CB C 37 35.300 35.508 -0.208 1
1 399 . 11 1 1 A 37 37 TYR N N 37 107.500 110.414 -2.914 1
1 400 . 11 1 1 A 38 38 ASP H H 38 7.590 7.829 -0.239 1
1 401 . 11 1 1 A 38 38 ASP HA H 38 5.090 4.934 0.156 1
1 404 . 11 1 1 A 38 38 ASP C C 38 175.400 174.554 0.846 1
1 405 . 11 1 1 A 38 38 ASP CA C 38 53.100 53.879 -0.779 1
1 406 . 11 1 1 A 38 38 ASP CB C 38 42.900 43.794 -0.894 1
1 407 . 11 1 1 A 38 38 ASP N N 38 119.900 118.418 1.482 1
1 408 . 11 1 1 A 39 39 VAL H H 39 8.590 8.757 -0.167 1
1 409 . 11 1 1 A 39 39 VAL HA H 39 4.220 4.452 -0.232 1
1 417 . 11 1 1 A 39 39 VAL C C 39 176.600 175.415 1.185 1
1 418 . 11 1 1 A 39 39 VAL CA C 39 63.600 62.956 0.644 1
1 419 . 11 1 1 A 39 39 VAL CB C 39 31.700 31.944 -0.244 1
1 422 . 11 1 1 A 39 39 VAL N N 39 124.300 126.395 -2.095 1
1 423 . 11 1 1 A 40 40 VAL H H 40 8.970 8.679 0.291 1
1 424 . 11 1 1 A 40 40 VAL HA H 40 4.600 4.609 -0.009 1
1 432 . 11 1 1 A 40 40 VAL CA C 40 59.100 58.702 0.398 1
1 433 . 11 1 1 A 40 40 VAL CB C 40 32.500 33.786 -1.286 1
1 436 . 11 1 1 A 40 40 VAL N N 40 130.800 127.001 3.799 1
1 437 . 11 1 1 A 41 41 PRO HA H 41 4.580 4.673 -0.093 1
1 444 . 11 1 1 A 41 41 PRO C C 41 177.700 177.216 0.484 1
1 445 . 11 1 1 A 41 41 PRO CA C 41 62.800 62.539 0.261 1
1 446 . 11 1 1 A 41 41 PRO CB C 41 32.300 32.703 -0.403 1
1 449 . 11 1 1 A 42 42 ARG H H 42 8.640 8.372 0.268 1
1 450 . 11 1 1 A 42 42 ARG HA H 42 1.890 2.079 -0.189 1
1 458 . 11 1 1 A 42 42 ARG C C 42 178.800 176.862 1.938 1
1 459 . 11 1 1 A 42 42 ARG CA C 42 58.100 57.835 0.265 1
1 460 . 11 1 1 A 42 42 ARG CB C 42 29.600 29.336 0.264 1
1 462 . 11 1 1 A 42 42 ARG N N 42 124.000 122.123 1.877 1
1 464 . 11 1 1 A 43 43 GLY H H 43 8.690 8.046 0.644 1
1 465 . 11 1 1 A 43 43 GLY HA2 H 43 3.770 3.856 -0.086 1
1 466 . 11 1 1 A 43 43 GLY HA3 H 43 3.870 3.880 -0.010 1
1 467 . 11 1 1 A 43 43 GLY C C 43 174.600 174.410 0.190 1
1 468 . 11 1 1 A 43 43 GLY CA C 43 45.800 45.581 0.219 1
1 469 . 11 1 1 A 43 43 GLY N N 43 106.000 107.999 -1.999 1
1 470 . 11 1 1 A 44 44 LYS H H 44 8.260 7.938 0.322 1
1 471 . 11 1 1 A 44 44 LYS HA H 44 4.840 4.526 0.314 1
1 480 . 11 1 1 A 44 44 LYS C C 44 179.200 177.128 2.072 1
1 481 . 11 1 1 A 44 44 LYS CA C 44 54.500 55.781 -1.281 1
1 482 . 11 1 1 A 44 44 LYS CB C 44 32.900 32.982 -0.082 1
1 486 . 11 1 1 A 44 44 LYS N N 44 115.900 117.884 -1.984 1
1 487 . 11 1 1 A 45 45 TRP H H 45 8.120 7.785 0.335 1
1 488 . 11 1 1 A 45 45 TRP HA H 45 4.350 4.446 -0.096 1
1 497 . 11 1 1 A 45 45 TRP C C 45 178.400 178.772 -0.372 1
1 498 . 11 1 1 A 45 45 TRP CA C 45 60.500 59.938 0.562 1
1 499 . 11 1 1 A 45 45 TRP CB C 45 28.500 29.205 -0.705 1
1 505 . 11 1 1 A 45 45 TRP N N 45 124.800 120.633 4.167 1
1 507 . 11 1 1 A 46 46 ASP H H 46 8.950 8.626 0.324 1
1 508 . 11 1 1 A 46 46 ASP HA H 46 4.460 4.360 0.100 1
1 511 . 11 1 1 A 46 46 ASP C C 46 176.800 178.365 -1.565 1
1 512 . 11 1 1 A 46 46 ASP CA C 46 56.900 57.226 -0.326 1
1 513 . 11 1 1 A 46 46 ASP CB C 46 40.400 40.368 0.032 1
1 514 . 11 1 1 A 46 46 ASP N N 46 117.400 119.430 -2.030 1
1 515 . 11 1 1 A 47 47 GLU H H 47 7.530 7.863 -0.333 1
1 516 . 11 1 1 A 47 47 GLU HA H 47 4.580 4.426 0.154 1
1 521 . 11 1 1 A 47 47 GLU C C 47 175.500 175.250 0.250 1
1 522 . 11 1 1 A 47 47 GLU CA C 47 55.300 56.573 -1.273 1
1 523 . 11 1 1 A 47 47 GLU CB C 47 30.800 30.453 0.347 1
1 525 . 11 1 1 A 47 47 GLU N N 47 114.500 116.308 -1.808 1
1 526 . 11 1 1 A 48 48 THR H H 48 7.230 7.598 -0.368 1
1 527 . 11 1 1 A 48 48 THR HA H 48 4.700 4.564 0.136 1
1 532 . 11 1 1 A 48 48 THR CA C 48 60.800 59.218 1.582 1
1 533 . 11 1 1 A 48 48 THR CB C 48 70.100 69.663 0.437 1
1 534 . 11 1 1 A 48 48 THR N N 48 119.900 115.969 3.931 1
1 535 . 11 1 1 A 49 49 PRO HA H 49 4.890 4.796 0.094 1
1 542 . 11 1 1 A 49 49 PRO C C 49 175.400 175.419 -0.019 1
1 543 . 11 1 1 A 49 49 PRO CA C 49 62.100 62.342 -0.242 1
1 544 . 11 1 1 A 49 49 PRO CB C 49 32.900 32.701 0.199 1
1 547 . 11 1 1 A 50 50 VAL H H 50 6.960 8.847 -1.887 1
1 548 . 11 1 1 A 50 50 VAL HA H 50 4.030 4.748 -0.718 1
1 556 . 11 1 1 A 50 50 VAL C C 50 173.800 174.698 -0.898 1
1 557 . 11 1 1 A 50 50 VAL CA C 50 61.400 60.367 1.033 1
1 558 . 11 1 1 A 50 50 VAL CB C 50 33.900 34.640 -0.740 1
1 561 . 11 1 1 A 50 50 VAL N N 50 119.400 120.362 -0.962 1
1 562 . 11 1 1 A 51 51 THR H H 51 8.940 9.075 -0.135 1
1 563 . 11 1 1 A 51 51 THR HA H 51 4.460 4.884 -0.424 1
1 568 . 11 1 1 A 51 51 THR C C 51 172.300 174.076 -1.776 1
1 569 . 11 1 1 A 51 51 THR CA C 51 60.600 61.218 -0.618 1
1 570 . 11 1 1 A 51 51 THR CB C 51 71.000 70.701 0.299 1
1 571 . 11 1 1 A 51 51 THR N N 51 122.600 124.210 -1.610 1
1 572 . 11 1 1 A 52 52 ALA H H 52 8.150 8.576 -0.426 1
1 573 . 11 1 1 A 52 52 ALA HA H 52 3.940 3.931 0.009 1
1 577 . 11 1 1 A 52 52 ALA C C 52 179.100 178.207 0.893 1
1 578 . 11 1 1 A 52 52 ALA CA C 52 53.700 53.846 -0.146 1
1 579 . 11 1 1 A 52 52 ALA CB C 52 18.200 18.384 -0.184 1
1 580 . 11 1 1 A 52 52 ALA N N 52 125.400 129.197 -3.797 1
1 581 . 11 1 1 A 53 53 GLY H H 53 9.160 8.739 0.421 1
1 582 . 11 1 1 A 53 53 GLY HA2 H 53 3.670 4.027 -0.357 1
1 583 . 11 1 1 A 53 53 GLY HA3 H 53 4.310 4.030 0.280 1
1 584 . 11 1 1 A 53 53 GLY C C 53 174.900 174.652 0.248 1
1 585 . 11 1 1 A 53 53 GLY CA C 53 44.700 45.261 -0.561 1
1 586 . 11 1 1 A 53 53 GLY N N 53 111.000 111.336 -0.336 1
1 587 . 11 1 1 A 54 54 ASP H H 54 8.180 7.793 0.387 1
1 588 . 11 1 1 A 54 54 ASP HA H 54 4.700 4.757 -0.057 1
1 591 . 11 1 1 A 54 54 ASP C C 54 174.600 175.614 -1.014 1
1 592 . 11 1 1 A 54 54 ASP CA C 54 56.100 54.146 1.954 1
1 593 . 11 1 1 A 54 54 ASP CB C 54 41.800 42.048 -0.248 1
1 594 . 11 1 1 A 54 54 ASP N N 54 122.700 121.482 1.218 1
1 595 . 11 1 1 A 55 55 GLU H H 55 8.160 8.588 -0.428 1
1 596 . 11 1 1 A 55 55 GLU HA H 55 4.730 4.643 0.087 1
1 601 . 11 1 1 A 55 55 GLU C C 55 175.000 175.417 -0.417 1
1 602 . 11 1 1 A 55 55 GLU CA C 55 55.100 56.030 -0.930 1
1 603 . 11 1 1 A 55 55 GLU CB C 55 30.500 30.471 0.029 1
1 605 . 11 1 1 A 55 55 GLU N N 55 118.800 120.389 -1.589 1
1 606 . 11 1 1 A 56 56 ILE H H 56 9.320 8.781 0.539 1
1 607 . 11 1 1 A 56 56 ILE HA H 56 4.950 4.825 0.125 1
1 617 . 11 1 1 A 56 56 ILE C C 56 175.100 175.023 0.077 1
1 618 . 11 1 1 A 56 56 ILE CA C 56 59.800 59.969 -0.169 1
1 619 . 11 1 1 A 56 56 ILE CB C 56 40.200 40.702 -0.502 1
1 623 . 11 1 1 A 56 56 ILE N N 56 127.400 125.495 1.905 1
1 624 . 11 1 1 A 57 57 GLU H H 57 9.170 8.814 0.356 1
1 625 . 11 1 1 A 57 57 GLU HA H 57 5.000 5.001 -0.001 1
1 630 . 11 1 1 A 57 57 GLU C C 57 174.100 175.171 -1.071 1
1 631 . 11 1 1 A 57 57 GLU CA C 57 54.400 54.519 -0.119 1
1 632 . 11 1 1 A 57 57 GLU CB C 57 32.900 32.719 0.181 1
1 634 . 11 1 1 A 57 57 GLU N N 57 129.600 126.133 3.467 1
1 635 . 11 1 1 A 58 58 ILE H H 58 9.500 8.912 0.588 1
1 636 . 11 1 1 A 58 58 ILE HA H 58 4.610 4.679 -0.069 1
1 646 . 11 1 1 A 58 58 ILE C C 58 175.900 175.726 0.174 1
1 647 . 11 1 1 A 58 58 ILE CA C 58 59.900 59.385 0.515 1
1 648 . 11 1 1 A 58 58 ILE CB C 58 37.800 39.080 -1.280 1
1 652 . 11 1 1 A 58 58 ILE N N 58 126.500 124.707 1.793 1
1 653 . 11 1 1 A 59 59 LEU H H 59 9.150 8.606 0.544 1
1 654 . 11 1 1 A 59 59 LEU HA H 59 4.840 4.488 0.352 1
1 663 . 11 1 1 A 59 59 LEU C C 59 175.800 176.389 -0.589 1
1 664 . 11 1 1 A 59 59 LEU CA C 59 53.800 54.895 -1.095 1
1 665 . 11 1 1 A 59 59 LEU CB C 59 44.300 42.455 1.845 1
1 668 . 11 1 1 A 59 59 LEU N N 59 129.800 128.463 1.337 1
1 669 . 11 1 1 A 60 60 THR H H 60 8.470 8.809 -0.339 1
1 673 . 11 1 1 A 60 60 THR CA C 60 58.200 58.628 -0.428 1
1 674 . 11 1 1 A 60 60 THR CB C 60 69.900 69.129 0.771 1
1 676 . 11 1 1 A 60 60 THR N N 60 114.300 115.395 -1.095 1
1 677 . 11 1 1 A 61 61 PRO HA H 61 4.400 4.443 -0.043 1
1 680 . 11 1 1 A 61 61 PRO CA C 61 63.200 63.766 -0.566 1
1 681 . 11 1 1 A 61 61 PRO CB C 61 32.100 32.142 -0.042 1
1 682 . 11 1 1 A 62 62 ARG HA H 62 4.260 3.800 0.460 1
1 689 . 11 1 1 A 62 62 ARG C C 62 176.500 174.792 1.708 1
1 690 . 11 1 1 A 62 62 ARG CA C 62 56.500 57.007 -0.507 1
1 691 . 11 1 1 A 62 62 ARG CB C 62 30.500 27.692 2.808 1
1 694 . 11 1 1 A 63 63 GLN H H 63 8.500 7.863 0.637 1
1 695 . 11 1 1 A 63 63 GLN HA H 63 4.250 4.227 0.023 1
1 702 . 11 1 1 A 63 63 GLN C C 63 176.400 176.690 -0.290 1
1 703 . 11 1 1 A 63 63 GLN CA C 63 56.000 57.352 -1.352 1
1 704 . 11 1 1 A 63 63 GLN CB C 63 29.200 28.944 0.256 1
1 706 . 11 1 1 A 63 63 GLN N N 63 121.700 118.687 3.013 1
1 708 . 11 1 1 A 64 64 GLY H H 64 8.330 8.719 -0.389 1
1 709 . 11 1 1 A 64 64 GLY HA2 H 64 3.940 4.271 -0.331 1
1 710 . 11 1 1 A 64 64 GLY HA3 H 64 3.940 4.272 -0.332 1
1 711 . 11 1 1 A 64 64 GLY C C 64 174.500 173.770 0.730 1
1 712 . 11 1 1 A 64 64 GLY CA C 64 45.300 44.948 0.352 1
1 713 . 11 1 1 A 64 64 GLY N N 64 110.100 113.744 -3.644 1
1 714 . 11 1 1 A 65 65 GLY H H 65 8.260 8.592 -0.332 1
1 715 . 11 1 1 A 65 65 GLY HA2 H 65 3.940 4.072 -0.132 1
1 716 . 11 1 1 A 65 65 GLY HA3 H 65 3.940 4.080 -0.140 1
1 717 . 11 1 1 A 65 65 GLY C C 65 174.200 174.610 -0.410 1
1 718 . 11 1 1 A 65 65 GLY CA C 65 45.200 44.299 0.901 1
1 719 . 11 1 1 A 65 65 GLY N N 65 108.500 112.750 -4.250 1
1 720 . 11 1 1 A 66 66 LEU H H 66 8.200 8.371 -0.171 1
1 721 . 11 1 1 A 66 66 LEU HA H 66 4.250 4.084 0.166 1
1 730 . 11 1 1 A 66 66 LEU C C 66 177.400 177.269 0.131 1
1 731 . 11 1 1 A 66 66 LEU CA C 66 55.200 54.301 0.899 1
1 732 . 11 1 1 A 66 66 LEU CB C 66 42.300 40.992 1.308 1
1 736 . 11 1 1 A 66 66 LEU N N 66 121.200 119.968 1.232 1
1 737 . 11 1 1 A 67 67 GLU H H 67 8.460 7.939 0.521 1
1 738 . 11 1 1 A 67 67 GLU HA H 67 4.170 4.212 -0.042 1
1 743 . 11 1 1 A 67 67 GLU CA C 67 56.500 56.745 -0.245 1
1 744 . 11 1 1 A 67 67 GLU CB C 67 30.000 29.900 0.100 1
1 2 . 12 1 1 A 2 2 LEU H H 2 8.810 7.400 1.410 1
1 3 . 12 1 1 A 2 2 LEU HA H 2 4.930 4.248 0.682 1
1 12 . 12 1 1 A 2 2 LEU C C 2 175.900 176.534 -0.634 1
1 13 . 12 1 1 A 2 2 LEU CA C 2 55.100 54.672 0.428 1
1 14 . 12 1 1 A 2 2 LEU CB C 2 42.600 42.525 0.075 1
1 17 . 12 1 1 A 2 2 LEU N N 2 127.000 121.326 5.674 1
1 18 . 12 1 1 A 3 3 VAL H H 3 8.670 8.847 -0.177 1
1 19 . 12 1 1 A 3 3 VAL HA H 3 4.580 4.813 -0.233 1
1 27 . 12 1 1 A 3 3 VAL C C 3 174.000 174.500 -0.500 1
1 28 . 12 1 1 A 3 3 VAL CA C 3 59.400 59.679 -0.279 1
1 29 . 12 1 1 A 3 3 VAL CB C 3 35.500 34.587 0.913 1
1 32 . 12 1 1 A 3 3 VAL N N 3 119.900 119.308 0.592 1
1 33 . 12 1 1 A 4 4 THR H H 4 8.310 8.790 -0.480 1
1 34 . 12 1 1 A 4 4 THR HA H 4 4.850 4.466 0.384 1
1 39 . 12 1 1 A 4 4 THR C C 4 173.600 174.004 -0.404 1
1 40 . 12 1 1 A 4 4 THR CA C 4 61.700 62.536 -0.836 1
1 41 . 12 1 1 A 4 4 THR CB C 4 69.500 68.629 0.871 1
1 43 . 12 1 1 A 4 4 THR N N 4 116.000 120.605 -4.605 1
1 44 . 12 1 1 A 5 5 ILE H H 5 9.060 9.401 -0.341 1
1 45 . 12 1 1 A 5 5 ILE HA H 5 4.830 4.797 0.033 1
1 55 . 12 1 1 A 5 5 ILE C C 5 176.100 175.868 0.232 1
1 56 . 12 1 1 A 5 5 ILE CA C 5 59.400 60.294 -0.894 1
1 57 . 12 1 1 A 5 5 ILE CB C 5 39.300 39.601 -0.301 1
1 61 . 12 1 1 A 5 5 ILE N N 5 125.000 127.469 -2.469 1
1 62 . 12 1 1 A 6 6 ASN H H 6 9.480 9.029 0.451 1
1 63 . 12 1 1 A 6 6 ASN HA H 6 4.510 4.446 0.064 1
1 68 . 12 1 1 A 6 6 ASN C C 6 175.700 175.580 0.120 1
1 69 . 12 1 1 A 6 6 ASN CA C 6 54.100 54.669 -0.569 1
1 70 . 12 1 1 A 6 6 ASN CB C 6 36.100 37.245 -1.145 1
1 71 . 12 1 1 A 6 6 ASN N N 6 129.500 127.762 1.738 1
1 73 . 12 1 1 A 7 7 GLY H H 7 8.860 8.634 0.226 1
1 74 . 12 1 1 A 7 7 GLY HA2 H 7 3.560 3.865 -0.305 1
1 75 . 12 1 1 A 7 7 GLY HA3 H 7 4.180 3.868 0.312 1
1 76 . 12 1 1 A 7 7 GLY C C 7 173.500 173.862 -0.362 1
1 77 . 12 1 1 A 7 7 GLY CA C 7 45.300 45.632 -0.332 1
1 78 . 12 1 1 A 7 7 GLY N N 7 102.200 103.723 -1.523 1
1 79 . 12 1 1 A 8 8 GLU H H 8 7.790 7.676 0.114 1
1 80 . 12 1 1 A 8 8 GLU HA H 8 4.690 4.883 -0.193 1
1 85 . 12 1 1 A 8 8 GLU C C 8 175.300 174.618 0.682 1
1 86 . 12 1 1 A 8 8 GLU CA C 8 54.200 54.905 -0.705 1
1 87 . 12 1 1 A 8 8 GLU CB C 8 32.300 32.919 -0.619 1
1 89 . 12 1 1 A 8 8 GLU N N 8 120.900 119.353 1.547 1
1 90 . 12 1 1 A 9 9 GLN H H 9 8.940 8.564 0.376 1
1 91 . 12 1 1 A 9 9 GLN HA H 9 4.770 4.806 -0.036 1
1 96 . 12 1 1 A 9 9 GLN C C 9 176.000 175.120 0.880 1
1 97 . 12 1 1 A 9 9 GLN CA C 9 56.900 55.936 0.964 1
1 98 . 12 1 1 A 9 9 GLN CB C 9 29.300 29.180 0.120 1
1 100 . 12 1 1 A 9 9 GLN N N 9 125.800 125.687 0.113 1
1 101 . 12 1 1 A 10 10 ARG H H 10 9.230 8.710 0.520 1
1 102 . 12 1 1 A 10 10 ARG HA H 10 4.580 4.815 -0.235 1
1 110 . 12 1 1 A 10 10 ARG C C 10 173.300 173.828 -0.528 1
1 111 . 12 1 1 A 10 10 ARG CA C 10 54.400 54.706 -0.306 1
1 112 . 12 1 1 A 10 10 ARG CB C 10 34.400 34.431 -0.031 1
1 115 . 12 1 1 A 10 10 ARG N N 10 125.200 123.996 1.204 1
1 117 . 12 1 1 A 11 11 GLU H H 11 8.380 8.780 -0.400 1
1 118 . 12 1 1 A 11 11 GLU HA H 11 4.860 4.962 -0.102 1
1 123 . 12 1 1 A 11 11 GLU C C 11 176.900 175.947 0.953 1
1 124 . 12 1 1 A 11 11 GLU CA C 11 54.800 55.706 -0.906 1
1 125 . 12 1 1 A 11 11 GLU CB C 11 30.000 31.394 -1.394 1
1 127 . 12 1 1 A 11 11 GLU N N 11 123.300 126.217 -2.917 1
1 128 . 12 1 1 A 12 12 VAL H H 12 9.070 8.782 0.288 1
1 129 . 12 1 1 A 12 12 VAL HA H 12 4.870 4.746 0.124 1
1 137 . 12 1 1 A 12 12 VAL C C 12 175.200 175.100 0.100 1
1 138 . 12 1 1 A 12 12 VAL CA C 12 58.600 58.846 -0.246 1
1 139 . 12 1 1 A 12 12 VAL CB C 12 34.400 35.234 -0.834 1
1 142 . 12 1 1 A 12 12 VAL N N 12 119.600 119.497 0.103 1
1 143 . 12 1 1 A 13 13 GLN H H 13 10.260 8.429 1.831 1
1 144 . 12 1 1 A 13 13 GLN HA H 13 4.550 4.495 0.055 1
1 149 . 12 1 1 A 13 13 GLN C C 13 177.700 176.155 1.545 1
1 150 . 12 1 1 A 13 13 GLN CA C 13 55.200 55.136 0.064 1
1 151 . 12 1 1 A 13 13 GLN CB C 13 30.000 29.353 0.647 1
1 152 . 12 1 1 A 13 13 GLN N N 13 120.900 119.979 0.921 1
1 153 . 12 1 1 A 14 14 SER H H 14 8.190 7.637 0.553 1
1 154 . 12 1 1 A 14 14 SER HA H 14 4.100 4.312 -0.212 1
1 157 . 12 1 1 A 14 14 SER C C 14 171.700 174.596 -2.896 1
1 158 . 12 1 1 A 14 14 SER CA C 14 61.000 59.950 1.050 1
1 159 . 12 1 1 A 14 14 SER CB C 14 65.300 63.737 1.563 1
1 160 . 12 1 1 A 14 14 SER N N 14 118.500 117.487 1.013 1
1 161 . 12 1 1 A 15 15 ALA H H 15 8.320 8.732 -0.412 1
1 162 . 12 1 1 A 15 15 ALA HA H 15 4.610 4.479 0.131 1
1 166 . 12 1 1 A 15 15 ALA C C 15 177.900 176.508 1.392 1
1 167 . 12 1 1 A 15 15 ALA CA C 15 51.200 52.409 -1.209 1
1 168 . 12 1 1 A 15 15 ALA CB C 15 20.100 20.044 0.056 1
1 169 . 12 1 1 A 15 15 ALA N N 15 118.500 126.115 -7.615 1
1 170 . 12 1 1 A 16 16 SER H H 16 7.480 7.445 0.035 1
1 171 . 12 1 1 A 16 16 SER HA H 16 5.390 4.687 0.703 1
1 174 . 12 1 1 A 16 16 SER C C 16 174.600 174.332 0.268 1
1 175 . 12 1 1 A 16 16 SER CA C 16 55.600 56.748 -1.148 1
1 176 . 12 1 1 A 16 16 SER CB C 16 67.400 65.596 1.804 1
1 177 . 12 1 1 A 16 16 SER N N 16 112.400 109.115 3.285 1
1 178 . 12 1 1 A 17 17 VAL H H 17 8.810 8.729 0.081 1
1 179 . 12 1 1 A 17 17 VAL HA H 17 3.120 3.532 -0.412 1
1 187 . 12 1 1 A 17 17 VAL C C 17 176.500 177.337 -0.837 1
1 188 . 12 1 1 A 17 17 VAL CA C 17 66.900 66.234 0.666 1
1 189 . 12 1 1 A 17 17 VAL CB C 17 31.300 31.526 -0.226 1
1 192 . 12 1 1 A 17 17 VAL N N 17 122.400 121.970 0.430 1
1 193 . 12 1 1 A 18 18 ALA H H 18 7.460 8.293 -0.833 1
1 194 . 12 1 1 A 18 18 ALA HA H 18 4.000 4.027 -0.027 1
1 198 . 12 1 1 A 18 18 ALA C C 18 179.600 179.474 0.126 1
1 199 . 12 1 1 A 18 18 ALA CA C 18 55.300 55.944 -0.644 1
1 200 . 12 1 1 A 18 18 ALA CB C 18 18.800 17.856 0.944 1
1 201 . 12 1 1 A 18 18 ALA N N 18 119.300 122.206 -2.906 1
1 202 . 12 1 1 A 19 19 ALA H H 19 7.620 7.682 -0.062 1
1 203 . 12 1 1 A 19 19 ALA HA H 19 4.130 4.128 0.002 1
1 207 . 12 1 1 A 19 19 ALA C C 19 179.500 180.099 -0.599 1
1 208 . 12 1 1 A 19 19 ALA CA C 19 55.000 55.101 -0.101 1
1 209 . 12 1 1 A 19 19 ALA CB C 19 17.400 17.917 -0.517 1
1 210 . 12 1 1 A 19 19 ALA N N 19 120.000 120.375 -0.375 1
1 211 . 12 1 1 A 20 20 LEU H H 20 8.260 7.906 0.354 1
1 212 . 12 1 1 A 20 20 LEU HA H 20 4.120 4.326 -0.206 1
1 221 . 12 1 1 A 20 20 LEU C C 20 177.700 178.848 -1.148 1
1 222 . 12 1 1 A 20 20 LEU CA C 20 57.500 57.801 -0.301 1
1 223 . 12 1 1 A 20 20 LEU CB C 20 42.000 41.490 0.510 1
1 226 . 12 1 1 A 20 20 LEU N N 20 121.900 120.131 1.769 1
1 227 . 12 1 1 A 21 21 MET H H 21 8.020 8.007 0.013 1
1 228 . 12 1 1 A 21 21 MET HA H 21 4.130 4.122 0.008 1
1 230 . 12 1 1 A 21 21 MET C C 21 179.300 179.076 0.224 1
1 231 . 12 1 1 A 21 21 MET CA C 21 57.000 58.936 -1.936 1
1 232 . 12 1 1 A 21 21 MET CB C 21 30.300 32.874 -2.574 1
1 233 . 12 1 1 A 21 21 MET N N 21 115.800 117.255 -1.455 1
1 234 . 12 1 1 A 22 22 THR H H 22 7.380 7.855 -0.475 1
1 235 . 12 1 1 A 22 22 THR HA H 22 3.950 3.897 0.053 1
1 240 . 12 1 1 A 22 22 THR C C 22 177.300 176.710 0.590 1
1 241 . 12 1 1 A 22 22 THR CA C 22 66.600 67.220 -0.620 1
1 242 . 12 1 1 A 22 22 THR CB C 22 68.200 68.435 -0.235 1
1 244 . 12 1 1 A 22 22 THR N N 22 116.500 115.860 0.640 1
1 245 . 12 1 1 A 23 23 GLU H H 23 8.650 8.240 0.410 1
1 246 . 12 1 1 A 23 23 GLU HA H 23 3.960 4.011 -0.051 1
1 251 . 12 1 1 A 23 23 GLU C C 23 177.900 178.297 -0.397 1
1 252 . 12 1 1 A 23 23 GLU CA C 23 59.500 59.171 0.329 1
1 253 . 12 1 1 A 23 23 GLU CB C 23 29.600 29.258 0.342 1
1 255 . 12 1 1 A 23 23 GLU N N 23 128.000 120.587 7.413 1
1 256 . 12 1 1 A 24 24 LEU H H 24 8.140 7.853 0.287 1
1 257 . 12 1 1 A 24 24 LEU HA H 24 4.200 4.288 -0.088 1
1 266 . 12 1 1 A 24 24 LEU C C 24 175.800 175.722 0.078 1
1 267 . 12 1 1 A 24 24 LEU CA C 24 54.200 54.954 -0.754 1
1 268 . 12 1 1 A 24 24 LEU CB C 24 41.900 41.767 0.133 1
1 271 . 12 1 1 A 24 24 LEU N N 24 115.900 118.121 -2.221 1
1 272 . 12 1 1 A 25 25 ASP H H 25 7.980 7.981 -0.001 1
1 273 . 12 1 1 A 25 25 ASP HA H 25 4.440 4.359 0.081 1
1 276 . 12 1 1 A 25 25 ASP C C 25 175.800 175.735 0.065 1
1 277 . 12 1 1 A 25 25 ASP CA C 25 55.200 55.437 -0.237 1
1 278 . 12 1 1 A 25 25 ASP CB C 25 39.400 38.928 0.472 1
1 279 . 12 1 1 A 25 25 ASP N N 25 118.400 115.829 2.571 1
1 280 . 12 1 1 A 26 26 CYS H H 26 8.510 8.003 0.507 1
1 281 . 12 1 1 A 26 26 CYS HA H 26 4.460 4.249 0.211 1
1 284 . 12 1 1 A 26 26 CYS C C 26 174.300 175.299 -0.999 1
1 285 . 12 1 1 A 26 26 CYS CA C 26 58.500 62.244 -3.744 1
1 286 . 12 1 1 A 26 26 CYS CB C 26 27.100 27.490 -0.390 1
1 287 . 12 1 1 A 26 26 CYS N N 26 117.000 117.137 -0.137 1
1 288 . 12 1 1 A 27 27 THR H H 27 7.810 8.026 -0.216 1
1 289 . 12 1 1 A 27 27 THR HA H 27 4.450 3.979 0.471 1
1 291 . 12 1 1 A 27 27 THR CA C 27 62.200 64.857 -2.657 1
1 292 . 12 1 1 A 27 27 THR CB C 27 69.400 67.469 1.931 1
1 293 . 12 1 1 A 27 27 THR N N 27 107.800 114.550 -6.750 1
1 294 . 12 1 1 A 29 29 GLY H H 29 8.440 8.267 0.173 1
1 295 . 12 1 1 A 29 29 GLY HA2 H 29 3.890 3.772 0.118 1
1 296 . 12 1 1 A 29 29 GLY HA3 H 29 3.970 3.973 -0.003 1
1 297 . 12 1 1 A 29 29 GLY C C 29 173.800 174.477 -0.677 1
1 298 . 12 1 1 A 29 29 GLY CA C 29 45.800 44.979 0.821 1
1 299 . 12 1 1 A 29 29 GLY N N 29 108.100 109.272 -1.172 1
1 300 . 12 1 1 A 30 30 HIS H H 30 8.210 7.774 0.436 1
1 301 . 12 1 1 A 30 30 HIS HA H 30 4.650 4.016 0.634 1
1 305 . 12 1 1 A 30 30 HIS C C 30 173.500 173.947 -0.447 1
1 306 . 12 1 1 A 30 30 HIS CA C 30 55.600 56.586 -0.986 1
1 307 . 12 1 1 A 30 30 HIS CB C 30 28.700 26.771 1.929 1
1 309 . 12 1 1 A 30 30 HIS N N 30 117.300 115.115 2.185 1
1 310 . 12 1 1 A 31 31 PHE H H 31 7.520 7.680 -0.160 1
1 311 . 12 1 1 A 31 31 PHE HA H 31 5.050 4.572 0.478 1
1 316 . 12 1 1 A 31 31 PHE C C 31 175.200 175.815 -0.615 1
1 317 . 12 1 1 A 31 31 PHE CA C 31 58.000 57.680 0.320 1
1 318 . 12 1 1 A 31 31 PHE CB C 31 41.200 40.404 0.796 1
1 321 . 12 1 1 A 31 31 PHE N N 31 117.000 118.952 -1.952 1
1 322 . 12 1 1 A 32 32 ALA H H 32 9.010 8.952 0.058 1
1 323 . 12 1 1 A 32 32 ALA HA H 32 5.010 5.423 -0.413 1
1 327 . 12 1 1 A 32 32 ALA C C 32 174.800 177.223 -2.423 1
1 328 . 12 1 1 A 32 32 ALA CA C 32 50.400 50.861 -0.461 1
1 329 . 12 1 1 A 32 32 ALA CB C 32 22.500 21.804 0.696 1
1 330 . 12 1 1 A 32 32 ALA N N 32 123.800 124.505 -0.705 1
1 331 . 12 1 1 A 33 33 VAL H H 33 9.350 8.889 0.461 1
1 332 . 12 1 1 A 33 33 VAL HA H 33 5.130 5.087 0.043 1
1 340 . 12 1 1 A 33 33 VAL C C 33 172.400 174.234 -1.834 1
1 341 . 12 1 1 A 33 33 VAL CA C 33 59.700 59.054 0.646 1
1 342 . 12 1 1 A 33 33 VAL CB C 33 35.000 35.581 -0.581 1
1 345 . 12 1 1 A 33 33 VAL N N 33 120.200 112.482 7.718 1
1 346 . 12 1 1 A 34 34 ALA H H 34 9.100 8.822 0.278 1
1 347 . 12 1 1 A 34 34 ALA HA H 34 5.130 5.482 -0.352 1
1 351 . 12 1 1 A 34 34 ALA C C 34 174.900 174.965 -0.065 1
1 352 . 12 1 1 A 34 34 ALA CA C 34 49.600 50.596 -0.996 1
1 353 . 12 1 1 A 34 34 ALA CB C 34 21.200 22.054 -0.854 1
1 354 . 12 1 1 A 34 34 ALA N N 34 127.800 124.247 3.553 1
1 355 . 12 1 1 A 35 35 LEU H H 35 8.680 8.976 -0.296 1
1 356 . 12 1 1 A 35 35 LEU HA H 35 4.750 4.805 -0.055 1
1 366 . 12 1 1 A 35 35 LEU C C 35 175.700 175.765 -0.065 1
1 367 . 12 1 1 A 35 35 LEU CA C 35 53.200 53.278 -0.078 1
1 368 . 12 1 1 A 35 35 LEU CB C 35 45.600 44.725 0.875 1
1 372 . 12 1 1 A 35 35 LEU N N 35 125.000 125.732 -0.732 1
1 373 . 12 1 1 A 36 36 ASN H H 36 9.960 9.103 0.857 1
1 374 . 12 1 1 A 36 36 ASN HA H 36 3.890 4.471 -0.581 1
1 379 . 12 1 1 A 36 36 ASN C C 36 174.500 175.096 -0.596 1
1 380 . 12 1 1 A 36 36 ASN CA C 36 54.900 54.717 0.183 1
1 381 . 12 1 1 A 36 36 ASN CB C 36 36.800 37.074 -0.274 1
1 382 . 12 1 1 A 36 36 ASN N N 36 127.300 125.846 1.454 1
1 384 . 12 1 1 A 37 37 TYR H H 37 8.750 8.649 0.101 1
1 385 . 12 1 1 A 37 37 TYR HA H 37 3.720 4.211 -0.491 1
1 392 . 12 1 1 A 37 37 TYR C C 37 174.100 174.089 0.011 1
1 393 . 12 1 1 A 37 37 TYR CA C 37 59.900 58.934 0.966 1
1 394 . 12 1 1 A 37 37 TYR CB C 37 35.300 36.967 -1.667 1
1 399 . 12 1 1 A 37 37 TYR N N 37 107.500 116.165 -8.665 1
1 400 . 12 1 1 A 38 38 ASP H H 38 7.590 7.641 -0.051 1
1 401 . 12 1 1 A 38 38 ASP HA H 38 5.090 5.034 0.056 1
1 404 . 12 1 1 A 38 38 ASP C C 38 175.400 174.997 0.403 1
1 405 . 12 1 1 A 38 38 ASP CA C 38 53.100 53.142 -0.042 1
1 406 . 12 1 1 A 38 38 ASP CB C 38 42.900 44.627 -1.727 1
1 407 . 12 1 1 A 38 38 ASP N N 38 119.900 118.450 1.450 1
1 408 . 12 1 1 A 39 39 VAL H H 39 8.590 8.711 -0.121 1
1 409 . 12 1 1 A 39 39 VAL HA H 39 4.220 4.456 -0.236 1
1 417 . 12 1 1 A 39 39 VAL C C 39 176.600 175.332 1.268 1
1 418 . 12 1 1 A 39 39 VAL CA C 39 63.600 62.945 0.655 1
1 419 . 12 1 1 A 39 39 VAL CB C 39 31.700 32.064 -0.364 1
1 422 . 12 1 1 A 39 39 VAL N N 39 124.300 124.049 0.251 1
1 423 . 12 1 1 A 40 40 VAL H H 40 8.970 8.715 0.255 1
1 424 . 12 1 1 A 40 40 VAL HA H 40 4.600 4.585 0.015 1
1 432 . 12 1 1 A 40 40 VAL CA C 40 59.100 58.720 0.380 1
1 433 . 12 1 1 A 40 40 VAL CB C 40 32.500 34.000 -1.500 1
1 436 . 12 1 1 A 40 40 VAL N N 40 130.800 126.994 3.806 1
1 437 . 12 1 1 A 41 41 PRO HA H 41 4.580 4.674 -0.094 1
1 444 . 12 1 1 A 41 41 PRO C C 41 177.700 177.385 0.315 1
1 445 . 12 1 1 A 41 41 PRO CA C 41 62.800 62.385 0.415 1
1 446 . 12 1 1 A 41 41 PRO CB C 41 32.300 32.644 -0.344 1
1 449 . 12 1 1 A 42 42 ARG H H 42 8.640 8.660 -0.020 1
1 450 . 12 1 1 A 42 42 ARG HA H 42 1.890 1.844 0.046 1
1 458 . 12 1 1 A 42 42 ARG C C 42 178.800 177.467 1.333 1
1 459 . 12 1 1 A 42 42 ARG CA C 42 58.100 58.350 -0.250 1
1 460 . 12 1 1 A 42 42 ARG CB C 42 29.600 29.576 0.024 1
1 462 . 12 1 1 A 42 42 ARG N N 42 124.000 123.033 0.967 1
1 464 . 12 1 1 A 43 43 GLY H H 43 8.690 8.035 0.655 1
1 465 . 12 1 1 A 43 43 GLY HA2 H 43 3.770 3.855 -0.085 1
1 466 . 12 1 1 A 43 43 GLY HA3 H 43 3.870 3.881 -0.011 1
1 467 . 12 1 1 A 43 43 GLY C C 43 174.600 174.369 0.231 1
1 468 . 12 1 1 A 43 43 GLY CA C 43 45.800 45.680 0.120 1
1 469 . 12 1 1 A 43 43 GLY N N 43 106.000 106.144 -0.144 1
1 470 . 12 1 1 A 44 44 LYS H H 44 8.260 7.906 0.354 1
1 471 . 12 1 1 A 44 44 LYS HA H 44 4.840 4.550 0.290 1
1 480 . 12 1 1 A 44 44 LYS C C 44 179.200 177.163 2.037 1
1 481 . 12 1 1 A 44 44 LYS CA C 44 54.500 55.788 -1.288 1
1 482 . 12 1 1 A 44 44 LYS CB C 44 32.900 33.091 -0.191 1
1 486 . 12 1 1 A 44 44 LYS N N 44 115.900 117.877 -1.977 1
1 487 . 12 1 1 A 45 45 TRP H H 45 8.120 7.748 0.372 1
1 488 . 12 1 1 A 45 45 TRP HA H 45 4.350 4.405 -0.055 1
1 497 . 12 1 1 A 45 45 TRP C C 45 178.400 178.862 -0.462 1
1 498 . 12 1 1 A 45 45 TRP CA C 45 60.500 59.790 0.710 1
1 499 . 12 1 1 A 45 45 TRP CB C 45 28.500 29.502 -1.002 1
1 505 . 12 1 1 A 45 45 TRP N N 45 124.800 120.532 4.268 1
1 507 . 12 1 1 A 46 46 ASP H H 46 8.950 8.842 0.108 1
1 508 . 12 1 1 A 46 46 ASP HA H 46 4.460 4.390 0.070 1
1 511 . 12 1 1 A 46 46 ASP C C 46 176.800 177.592 -0.792 1
1 512 . 12 1 1 A 46 46 ASP CA C 46 56.900 56.813 0.087 1
1 513 . 12 1 1 A 46 46 ASP CB C 46 40.400 39.732 0.668 1
1 514 . 12 1 1 A 46 46 ASP N N 46 117.400 119.484 -2.084 1
1 515 . 12 1 1 A 47 47 GLU H H 47 7.530 7.898 -0.368 1
1 516 . 12 1 1 A 47 47 GLU HA H 47 4.580 4.421 0.159 1
1 521 . 12 1 1 A 47 47 GLU C C 47 175.500 175.291 0.209 1
1 522 . 12 1 1 A 47 47 GLU CA C 47 55.300 56.478 -1.178 1
1 523 . 12 1 1 A 47 47 GLU CB C 47 30.800 30.358 0.442 1
1 525 . 12 1 1 A 47 47 GLU N N 47 114.500 116.671 -2.171 1
1 526 . 12 1 1 A 48 48 THR H H 48 7.230 7.678 -0.448 1
1 527 . 12 1 1 A 48 48 THR HA H 48 4.700 4.512 0.188 1
1 532 . 12 1 1 A 48 48 THR CA C 48 60.800 59.333 1.467 1
1 533 . 12 1 1 A 48 48 THR CB C 48 70.100 69.615 0.485 1
1 534 . 12 1 1 A 48 48 THR N N 48 119.900 116.414 3.486 1
1 535 . 12 1 1 A 49 49 PRO HA H 49 4.890 4.708 0.182 1
1 542 . 12 1 1 A 49 49 PRO C C 49 175.400 175.521 -0.121 1
1 543 . 12 1 1 A 49 49 PRO CA C 49 62.100 62.371 -0.271 1
1 544 . 12 1 1 A 49 49 PRO CB C 49 32.900 32.479 0.421 1
1 547 . 12 1 1 A 50 50 VAL H H 50 6.960 8.227 -1.267 1
1 548 . 12 1 1 A 50 50 VAL HA H 50 4.030 4.769 -0.739 1
1 556 . 12 1 1 A 50 50 VAL C C 50 173.800 174.685 -0.885 1
1 557 . 12 1 1 A 50 50 VAL CA C 50 61.400 60.408 0.992 1
1 558 . 12 1 1 A 50 50 VAL CB C 50 33.900 34.081 -0.181 1
1 561 . 12 1 1 A 50 50 VAL N N 50 119.400 119.936 -0.536 1
1 562 . 12 1 1 A 51 51 THR H H 51 8.940 8.865 0.075 1
1 563 . 12 1 1 A 51 51 THR HA H 51 4.460 4.766 -0.306 1
1 568 . 12 1 1 A 51 51 THR C C 51 172.300 173.995 -1.695 1
1 569 . 12 1 1 A 51 51 THR CA C 51 60.600 61.300 -0.700 1
1 570 . 12 1 1 A 51 51 THR CB C 51 71.000 71.148 -0.148 1
1 571 . 12 1 1 A 51 51 THR N N 51 122.600 124.162 -1.562 1
1 572 . 12 1 1 A 52 52 ALA H H 52 8.150 8.559 -0.409 1
1 573 . 12 1 1 A 52 52 ALA HA H 52 3.940 3.993 -0.053 1
1 577 . 12 1 1 A 52 52 ALA C C 52 179.100 177.974 1.126 1
1 578 . 12 1 1 A 52 52 ALA CA C 52 53.700 53.866 -0.166 1
1 579 . 12 1 1 A 52 52 ALA CB C 52 18.200 18.366 -0.166 1
1 580 . 12 1 1 A 52 52 ALA N N 52 125.400 129.228 -3.828 1
1 581 . 12 1 1 A 53 53 GLY H H 53 9.160 8.915 0.245 1
1 582 . 12 1 1 A 53 53 GLY HA2 H 53 3.670 4.012 -0.342 1
1 583 . 12 1 1 A 53 53 GLY HA3 H 53 4.310 4.013 0.297 1
1 584 . 12 1 1 A 53 53 GLY C C 53 174.900 174.108 0.792 1
1 585 . 12 1 1 A 53 53 GLY CA C 53 44.700 44.998 -0.298 1
1 586 . 12 1 1 A 53 53 GLY N N 53 111.000 110.711 0.289 1
1 587 . 12 1 1 A 54 54 ASP H H 54 8.180 8.039 0.141 1
1 588 . 12 1 1 A 54 54 ASP HA H 54 4.700 4.654 0.046 1
1 591 . 12 1 1 A 54 54 ASP C C 54 174.600 175.703 -1.103 1
1 592 . 12 1 1 A 54 54 ASP CA C 54 56.100 54.380 1.720 1
1 593 . 12 1 1 A 54 54 ASP CB C 54 41.800 41.717 0.083 1
1 594 . 12 1 1 A 54 54 ASP N N 54 122.700 121.182 1.518 1
1 595 . 12 1 1 A 55 55 GLU H H 55 8.160 8.605 -0.445 1
1 596 . 12 1 1 A 55 55 GLU HA H 55 4.730 4.673 0.057 1
1 601 . 12 1 1 A 55 55 GLU C C 55 175.000 175.540 -0.540 1
1 602 . 12 1 1 A 55 55 GLU CA C 55 55.100 56.156 -1.056 1
1 603 . 12 1 1 A 55 55 GLU CB C 55 30.500 30.499 0.001 1
1 605 . 12 1 1 A 55 55 GLU N N 55 118.800 122.612 -3.812 1
1 606 . 12 1 1 A 56 56 ILE H H 56 9.320 8.817 0.503 1
1 607 . 12 1 1 A 56 56 ILE HA H 56 4.950 5.131 -0.181 1
1 617 . 12 1 1 A 56 56 ILE C C 56 175.100 175.107 -0.007 1
1 618 . 12 1 1 A 56 56 ILE CA C 56 59.800 59.905 -0.105 1
1 619 . 12 1 1 A 56 56 ILE CB C 56 40.200 40.537 -0.337 1
1 623 . 12 1 1 A 56 56 ILE N N 56 127.400 125.829 1.571 1
1 624 . 12 1 1 A 57 57 GLU H H 57 9.170 8.633 0.537 1
1 625 . 12 1 1 A 57 57 GLU HA H 57 5.000 5.170 -0.170 1
1 630 . 12 1 1 A 57 57 GLU C C 57 174.100 175.072 -0.972 1
1 631 . 12 1 1 A 57 57 GLU CA C 57 54.400 54.508 -0.108 1
1 632 . 12 1 1 A 57 57 GLU CB C 57 32.900 33.671 -0.771 1
1 634 . 12 1 1 A 57 57 GLU N N 57 129.600 125.290 4.310 1
1 635 . 12 1 1 A 58 58 ILE H H 58 9.500 8.743 0.757 1
1 636 . 12 1 1 A 58 58 ILE HA H 58 4.610 4.836 -0.226 1
1 646 . 12 1 1 A 58 58 ILE C C 58 175.900 174.634 1.266 1
1 647 . 12 1 1 A 58 58 ILE CA C 58 59.900 59.405 0.495 1
1 648 . 12 1 1 A 58 58 ILE CB C 58 37.800 38.798 -0.998 1
1 652 . 12 1 1 A 58 58 ILE N N 58 126.500 124.605 1.895 1
1 653 . 12 1 1 A 59 59 LEU H H 59 9.150 8.869 0.281 1
1 654 . 12 1 1 A 59 59 LEU HA H 59 4.840 5.040 -0.200 1
1 663 . 12 1 1 A 59 59 LEU C C 59 175.800 176.052 -0.252 1
1 664 . 12 1 1 A 59 59 LEU CA C 59 53.800 53.667 0.133 1
1 665 . 12 1 1 A 59 59 LEU CB C 59 44.300 43.710 0.590 1
1 668 . 12 1 1 A 59 59 LEU N N 59 129.800 128.493 1.307 1
1 669 . 12 1 1 A 60 60 THR H H 60 8.470 8.793 -0.323 1
1 673 . 12 1 1 A 60 60 THR CA C 60 58.200 58.555 -0.355 1
1 674 . 12 1 1 A 60 60 THR CB C 60 69.900 68.944 0.956 1
1 676 . 12 1 1 A 60 60 THR N N 60 114.300 116.201 -1.901 1
1 677 . 12 1 1 A 61 61 PRO HA H 61 4.400 4.489 -0.089 1
1 680 . 12 1 1 A 61 61 PRO CA C 61 63.200 62.938 0.262 1
1 681 . 12 1 1 A 61 61 PRO CB C 61 32.100 31.801 0.299 1
1 682 . 12 1 1 A 62 62 ARG HA H 62 4.260 4.494 -0.234 1
1 689 . 12 1 1 A 62 62 ARG C C 62 176.500 176.651 -0.151 1
1 690 . 12 1 1 A 62 62 ARG CA C 62 56.500 55.822 0.678 1
1 691 . 12 1 1 A 62 62 ARG CB C 62 30.500 31.055 -0.555 1
1 694 . 12 1 1 A 63 63 GLN H H 63 8.500 8.845 -0.345 1
1 695 . 12 1 1 A 63 63 GLN HA H 63 4.250 4.352 -0.102 1
1 702 . 12 1 1 A 63 63 GLN C C 63 176.400 177.423 -1.023 1
1 703 . 12 1 1 A 63 63 GLN CA C 63 56.000 56.069 -0.069 1
1 704 . 12 1 1 A 63 63 GLN CB C 63 29.200 29.057 0.143 1
1 706 . 12 1 1 A 63 63 GLN N N 63 121.700 125.550 -3.850 1
1 708 . 12 1 1 A 64 64 GLY H H 64 8.330 8.796 -0.466 1
1 709 . 12 1 1 A 64 64 GLY HA2 H 64 3.940 3.873 0.067 1
1 710 . 12 1 1 A 64 64 GLY HA3 H 64 3.940 3.874 0.066 1
1 711 . 12 1 1 A 64 64 GLY C C 64 174.500 175.183 -0.683 1
1 712 . 12 1 1 A 64 64 GLY CA C 64 45.300 46.868 -1.568 1
1 713 . 12 1 1 A 64 64 GLY N N 64 110.100 111.437 -1.337 1
1 714 . 12 1 1 A 65 65 GLY H H 65 8.260 8.136 0.124 1
1 715 . 12 1 1 A 65 65 GLY HA2 H 65 3.940 3.941 -0.001 1
1 716 . 12 1 1 A 65 65 GLY HA3 H 65 3.940 3.960 -0.020 1
1 717 . 12 1 1 A 65 65 GLY C C 65 174.200 174.605 -0.405 1
1 718 . 12 1 1 A 65 65 GLY CA C 65 45.200 46.420 -1.220 1
1 719 . 12 1 1 A 65 65 GLY N N 65 108.500 108.623 -0.123 1
1 720 . 12 1 1 A 66 66 LEU H H 66 8.200 7.801 0.399 1
1 721 . 12 1 1 A 66 66 LEU HA H 66 4.250 4.548 -0.298 1
1 730 . 12 1 1 A 66 66 LEU C C 66 177.400 176.388 1.012 1
1 731 . 12 1 1 A 66 66 LEU CA C 66 55.200 55.090 0.110 1
1 732 . 12 1 1 A 66 66 LEU CB C 66 42.300 42.376 -0.076 1
1 736 . 12 1 1 A 66 66 LEU N N 66 121.200 122.434 -1.234 1
1 737 . 12 1 1 A 67 67 GLU H H 67 8.460 8.657 -0.197 1
1 738 . 12 1 1 A 67 67 GLU HA H 67 4.170 4.611 -0.441 1
1 743 . 12 1 1 A 67 67 GLU CA C 67 56.500 55.820 0.680 1
1 744 . 12 1 1 A 67 67 GLU CB C 67 30.000 30.633 -0.633 1
1 2 . 13 1 1 A 2 2 LEU H H 2 8.810 8.759 0.051 1
1 3 . 13 1 1 A 2 2 LEU HA H 2 4.930 4.604 0.326 1
1 12 . 13 1 1 A 2 2 LEU C C 2 175.900 176.623 -0.723 1
1 13 . 13 1 1 A 2 2 LEU CA C 2 55.100 54.239 0.861 1
1 14 . 13 1 1 A 2 2 LEU CB C 2 42.600 42.258 0.342 1
1 17 . 13 1 1 A 2 2 LEU N N 2 127.000 121.345 5.655 1
1 18 . 13 1 1 A 3 3 VAL H H 3 8.670 9.387 -0.717 1
1 19 . 13 1 1 A 3 3 VAL HA H 3 4.580 4.804 -0.224 1
1 27 . 13 1 1 A 3 3 VAL C C 3 174.000 174.460 -0.460 1
1 28 . 13 1 1 A 3 3 VAL CA C 3 59.400 59.518 -0.118 1
1 29 . 13 1 1 A 3 3 VAL CB C 3 35.500 34.722 0.778 1
1 32 . 13 1 1 A 3 3 VAL N N 3 119.900 119.690 0.210 1
1 33 . 13 1 1 A 4 4 THR H H 4 8.310 8.770 -0.460 1
1 34 . 13 1 1 A 4 4 THR HA H 4 4.850 4.561 0.289 1
1 39 . 13 1 1 A 4 4 THR C C 4 173.600 174.012 -0.412 1
1 40 . 13 1 1 A 4 4 THR CA C 4 61.700 62.322 -0.622 1
1 41 . 13 1 1 A 4 4 THR CB C 4 69.500 69.009 0.491 1
1 43 . 13 1 1 A 4 4 THR N N 4 116.000 120.555 -4.555 1
1 44 . 13 1 1 A 5 5 ILE H H 5 9.060 9.383 -0.323 1
1 45 . 13 1 1 A 5 5 ILE HA H 5 4.830 4.774 0.056 1
1 55 . 13 1 1 A 5 5 ILE C C 5 176.100 176.430 -0.330 1
1 56 . 13 1 1 A 5 5 ILE CA C 5 59.400 60.188 -0.788 1
1 57 . 13 1 1 A 5 5 ILE CB C 5 39.300 38.859 0.441 1
1 61 . 13 1 1 A 5 5 ILE N N 5 125.000 127.465 -2.465 1
1 62 . 13 1 1 A 6 6 ASN H H 6 9.480 9.640 -0.160 1
1 63 . 13 1 1 A 6 6 ASN HA H 6 4.510 4.359 0.151 1
1 68 . 13 1 1 A 6 6 ASN C C 6 175.700 174.570 1.130 1
1 69 . 13 1 1 A 6 6 ASN CA C 6 54.100 54.222 -0.122 1
1 70 . 13 1 1 A 6 6 ASN CB C 6 36.100 37.524 -1.424 1
1 71 . 13 1 1 A 6 6 ASN N N 6 129.500 126.258 3.242 1
1 73 . 13 1 1 A 7 7 GLY H H 7 8.860 8.615 0.245 1
1 74 . 13 1 1 A 7 7 GLY HA2 H 7 3.560 3.860 -0.300 1
1 75 . 13 1 1 A 7 7 GLY HA3 H 7 4.180 3.865 0.315 1
1 76 . 13 1 1 A 7 7 GLY C C 7 173.500 173.961 -0.461 1
1 77 . 13 1 1 A 7 7 GLY CA C 7 45.300 45.594 -0.294 1
1 78 . 13 1 1 A 7 7 GLY N N 7 102.200 103.950 -1.750 1
1 79 . 13 1 1 A 8 8 GLU H H 8 7.790 7.666 0.124 1
1 80 . 13 1 1 A 8 8 GLU HA H 8 4.690 4.775 -0.085 1
1 85 . 13 1 1 A 8 8 GLU C C 8 175.300 174.932 0.368 1
1 86 . 13 1 1 A 8 8 GLU CA C 8 54.200 54.868 -0.668 1
1 87 . 13 1 1 A 8 8 GLU CB C 8 32.300 32.550 -0.250 1
1 89 . 13 1 1 A 8 8 GLU N N 8 120.900 119.980 0.920 1
1 90 . 13 1 1 A 9 9 GLN H H 9 8.940 8.631 0.309 1
1 91 . 13 1 1 A 9 9 GLN HA H 9 4.770 4.685 0.085 1
1 96 . 13 1 1 A 9 9 GLN C C 9 176.000 175.270 0.730 1
1 97 . 13 1 1 A 9 9 GLN CA C 9 56.900 55.995 0.905 1
1 98 . 13 1 1 A 9 9 GLN CB C 9 29.300 29.116 0.184 1
1 100 . 13 1 1 A 9 9 GLN N N 9 125.800 126.191 -0.391 1
1 101 . 13 1 1 A 10 10 ARG H H 10 9.230 8.681 0.549 1
1 102 . 13 1 1 A 10 10 ARG HA H 10 4.580 4.776 -0.196 1
1 110 . 13 1 1 A 10 10 ARG C C 10 173.300 173.519 -0.219 1
1 111 . 13 1 1 A 10 10 ARG CA C 10 54.400 54.954 -0.554 1
1 112 . 13 1 1 A 10 10 ARG CB C 10 34.400 34.341 0.059 1
1 115 . 13 1 1 A 10 10 ARG N N 10 125.200 123.923 1.277 1
1 117 . 13 1 1 A 11 11 GLU H H 11 8.380 8.874 -0.494 1
1 118 . 13 1 1 A 11 11 GLU HA H 11 4.860 5.045 -0.185 1
1 123 . 13 1 1 A 11 11 GLU C C 11 176.900 175.665 1.235 1
1 124 . 13 1 1 A 11 11 GLU CA C 11 54.800 55.408 -0.608 1
1 125 . 13 1 1 A 11 11 GLU CB C 11 30.000 31.889 -1.889 1
1 127 . 13 1 1 A 11 11 GLU N N 11 123.300 125.806 -2.506 1
1 128 . 13 1 1 A 12 12 VAL H H 12 9.070 8.918 0.152 1
1 129 . 13 1 1 A 12 12 VAL HA H 12 4.870 4.762 0.108 1
1 137 . 13 1 1 A 12 12 VAL C C 12 175.200 174.956 0.244 1
1 138 . 13 1 1 A 12 12 VAL CA C 12 58.600 58.843 -0.243 1
1 139 . 13 1 1 A 12 12 VAL CB C 12 34.400 35.167 -0.767 1
1 142 . 13 1 1 A 12 12 VAL N N 12 119.600 120.396 -0.796 1
1 143 . 13 1 1 A 13 13 GLN H H 13 10.260 8.663 1.597 1
1 144 . 13 1 1 A 13 13 GLN HA H 13 4.550 4.571 -0.021 1
1 149 . 13 1 1 A 13 13 GLN C C 13 177.700 175.934 1.766 1
1 150 . 13 1 1 A 13 13 GLN CA C 13 55.200 55.502 -0.302 1
1 151 . 13 1 1 A 13 13 GLN CB C 13 30.000 29.747 0.253 1
1 152 . 13 1 1 A 13 13 GLN N N 13 120.900 120.389 0.511 1
1 153 . 13 1 1 A 14 14 SER H H 14 8.190 7.618 0.572 1
1 154 . 13 1 1 A 14 14 SER HA H 14 4.100 4.301 -0.201 1
1 157 . 13 1 1 A 14 14 SER C C 14 171.700 174.468 -2.768 1
1 158 . 13 1 1 A 14 14 SER CA C 14 61.000 59.976 1.024 1
1 159 . 13 1 1 A 14 14 SER CB C 14 65.300 63.810 1.490 1
1 160 . 13 1 1 A 14 14 SER N N 14 118.500 116.364 2.136 1
1 161 . 13 1 1 A 15 15 ALA H H 15 8.320 8.691 -0.371 1
1 162 . 13 1 1 A 15 15 ALA HA H 15 4.610 4.421 0.189 1
1 166 . 13 1 1 A 15 15 ALA C C 15 177.900 176.825 1.075 1
1 167 . 13 1 1 A 15 15 ALA CA C 15 51.200 52.694 -1.494 1
1 168 . 13 1 1 A 15 15 ALA CB C 15 20.100 19.853 0.247 1
1 169 . 13 1 1 A 15 15 ALA N N 15 118.500 126.139 -7.639 1
1 170 . 13 1 1 A 16 16 SER H H 16 7.480 7.443 0.037 1
1 171 . 13 1 1 A 16 16 SER HA H 16 5.390 4.682 0.708 1
1 174 . 13 1 1 A 16 16 SER C C 16 174.600 174.310 0.290 1
1 175 . 13 1 1 A 16 16 SER CA C 16 55.600 56.698 -1.098 1
1 176 . 13 1 1 A 16 16 SER CB C 16 67.400 65.704 1.696 1
1 177 . 13 1 1 A 16 16 SER N N 16 112.400 109.225 3.175 1
1 178 . 13 1 1 A 17 17 VAL H H 17 8.810 8.596 0.214 1
1 179 . 13 1 1 A 17 17 VAL HA H 17 3.120 3.520 -0.400 1
1 187 . 13 1 1 A 17 17 VAL C C 17 176.500 177.272 -0.772 1
1 188 . 13 1 1 A 17 17 VAL CA C 17 66.900 66.295 0.605 1
1 189 . 13 1 1 A 17 17 VAL CB C 17 31.300 31.501 -0.201 1
1 192 . 13 1 1 A 17 17 VAL N N 17 122.400 121.863 0.537 1
1 193 . 13 1 1 A 18 18 ALA H H 18 7.460 8.095 -0.635 1
1 194 . 13 1 1 A 18 18 ALA HA H 18 4.000 4.113 -0.113 1
1 198 . 13 1 1 A 18 18 ALA C C 18 179.600 179.526 0.074 1
1 199 . 13 1 1 A 18 18 ALA CA C 18 55.300 55.654 -0.354 1
1 200 . 13 1 1 A 18 18 ALA CB C 18 18.800 18.268 0.532 1
1 201 . 13 1 1 A 18 18 ALA N N 18 119.300 122.107 -2.807 1
1 202 . 13 1 1 A 19 19 ALA H H 19 7.620 7.822 -0.202 1
1 203 . 13 1 1 A 19 19 ALA HA H 19 4.130 4.362 -0.232 1
1 207 . 13 1 1 A 19 19 ALA C C 19 179.500 180.050 -0.550 1
1 208 . 13 1 1 A 19 19 ALA CA C 19 55.000 54.938 0.062 1
1 209 . 13 1 1 A 19 19 ALA CB C 19 17.400 17.994 -0.594 1
1 210 . 13 1 1 A 19 19 ALA N N 19 120.000 121.686 -1.686 1
1 211 . 13 1 1 A 20 20 LEU H H 20 8.260 7.957 0.303 1
1 212 . 13 1 1 A 20 20 LEU HA H 20 4.120 4.127 -0.007 1
1 221 . 13 1 1 A 20 20 LEU C C 20 177.700 178.775 -1.075 1
1 222 . 13 1 1 A 20 20 LEU CA C 20 57.500 57.905 -0.405 1
1 223 . 13 1 1 A 20 20 LEU CB C 20 42.000 41.642 0.358 1
1 226 . 13 1 1 A 20 20 LEU N N 20 121.900 119.883 2.017 1
1 227 . 13 1 1 A 21 21 MET H H 21 8.020 8.403 -0.383 1
1 228 . 13 1 1 A 21 21 MET HA H 21 4.130 4.081 0.049 1
1 230 . 13 1 1 A 21 21 MET C C 21 179.300 178.979 0.321 1
1 231 . 13 1 1 A 21 21 MET CA C 21 57.000 58.710 -1.710 1
1 232 . 13 1 1 A 21 21 MET CB C 21 30.300 32.852 -2.552 1
1 233 . 13 1 1 A 21 21 MET N N 21 115.800 117.045 -1.245 1
1 234 . 13 1 1 A 22 22 THR H H 22 7.380 7.917 -0.537 1
1 235 . 13 1 1 A 22 22 THR HA H 22 3.950 3.898 0.052 1
1 240 . 13 1 1 A 22 22 THR C C 22 177.300 176.052 1.248 1
1 241 . 13 1 1 A 22 22 THR CA C 22 66.600 67.259 -0.659 1
1 242 . 13 1 1 A 22 22 THR CB C 22 68.200 68.368 -0.168 1
1 244 . 13 1 1 A 22 22 THR N N 22 116.500 115.945 0.555 1
1 245 . 13 1 1 A 23 23 GLU H H 23 8.650 8.115 0.535 1
1 246 . 13 1 1 A 23 23 GLU HA H 23 3.960 4.068 -0.108 1
1 251 . 13 1 1 A 23 23 GLU C C 23 177.900 178.279 -0.379 1
1 252 . 13 1 1 A 23 23 GLU CA C 23 59.500 58.589 0.911 1
1 253 . 13 1 1 A 23 23 GLU CB C 23 29.600 29.707 -0.107 1
1 255 . 13 1 1 A 23 23 GLU N N 23 128.000 121.108 6.892 1
1 256 . 13 1 1 A 24 24 LEU H H 24 8.140 7.673 0.467 1
1 257 . 13 1 1 A 24 24 LEU HA H 24 4.200 4.252 -0.052 1
1 266 . 13 1 1 A 24 24 LEU C C 24 175.800 175.623 0.177 1
1 267 . 13 1 1 A 24 24 LEU CA C 24 54.200 54.894 -0.694 1
1 268 . 13 1 1 A 24 24 LEU CB C 24 41.900 41.931 -0.031 1
1 271 . 13 1 1 A 24 24 LEU N N 24 115.900 118.072 -2.172 1
1 272 . 13 1 1 A 25 25 ASP H H 25 7.980 7.956 0.024 1
1 273 . 13 1 1 A 25 25 ASP HA H 25 4.440 4.316 0.124 1
1 276 . 13 1 1 A 25 25 ASP C C 25 175.800 175.589 0.211 1
1 277 . 13 1 1 A 25 25 ASP CA C 25 55.200 55.364 -0.164 1
1 278 . 13 1 1 A 25 25 ASP CB C 25 39.400 39.010 0.390 1
1 279 . 13 1 1 A 25 25 ASP N N 25 118.400 115.932 2.468 1
1 280 . 13 1 1 A 26 26 CYS H H 26 8.510 7.710 0.800 1
1 281 . 13 1 1 A 26 26 CYS HA H 26 4.460 4.256 0.204 1
1 284 . 13 1 1 A 26 26 CYS C C 26 174.300 174.877 -0.577 1
1 285 . 13 1 1 A 26 26 CYS CA C 26 58.500 58.793 -0.293 1
1 286 . 13 1 1 A 26 26 CYS CB C 26 27.100 27.993 -0.893 1
1 287 . 13 1 1 A 26 26 CYS N N 26 117.000 117.216 -0.216 1
1 288 . 13 1 1 A 27 27 THR H H 27 7.810 7.600 0.210 1
1 289 . 13 1 1 A 27 27 THR HA H 27 4.450 4.211 0.239 1
1 291 . 13 1 1 A 27 27 THR CA C 27 62.200 64.703 -2.503 1
1 292 . 13 1 1 A 27 27 THR CB C 27 69.400 68.853 0.547 1
1 293 . 13 1 1 A 27 27 THR N N 27 107.800 115.339 -7.539 1
1 294 . 13 1 1 A 29 29 GLY H H 29 8.440 8.818 -0.378 1
1 295 . 13 1 1 A 29 29 GLY HA2 H 29 3.890 3.997 -0.107 1
1 296 . 13 1 1 A 29 29 GLY HA3 H 29 3.970 4.086 -0.116 1
1 297 . 13 1 1 A 29 29 GLY C C 29 173.800 174.647 -0.847 1
1 298 . 13 1 1 A 29 29 GLY CA C 29 45.800 44.351 1.449 1
1 299 . 13 1 1 A 29 29 GLY N N 29 108.100 109.397 -1.297 1
1 300 . 13 1 1 A 30 30 HIS H H 30 8.210 8.288 -0.078 1
1 301 . 13 1 1 A 30 30 HIS HA H 30 4.650 3.956 0.694 1
1 305 . 13 1 1 A 30 30 HIS C C 30 173.500 173.876 -0.376 1
1 306 . 13 1 1 A 30 30 HIS CA C 30 55.600 57.049 -1.449 1
1 307 . 13 1 1 A 30 30 HIS CB C 30 28.700 27.044 1.656 1
1 309 . 13 1 1 A 30 30 HIS N N 30 117.300 115.388 1.912 1
1 310 . 13 1 1 A 31 31 PHE H H 31 7.520 7.874 -0.354 1
1 311 . 13 1 1 A 31 31 PHE HA H 31 5.050 5.038 0.012 1
1 316 . 13 1 1 A 31 31 PHE C C 31 175.200 175.031 0.169 1
1 317 . 13 1 1 A 31 31 PHE CA C 31 58.000 57.162 0.838 1
1 318 . 13 1 1 A 31 31 PHE CB C 31 41.200 42.118 -0.918 1
1 321 . 13 1 1 A 31 31 PHE N N 31 117.000 119.451 -2.451 1
1 322 . 13 1 1 A 32 32 ALA H H 32 9.010 8.957 0.053 1
1 323 . 13 1 1 A 32 32 ALA HA H 32 5.010 5.354 -0.344 1
1 327 . 13 1 1 A 32 32 ALA C C 32 174.800 175.964 -1.164 1
1 328 . 13 1 1 A 32 32 ALA CA C 32 50.400 51.681 -1.281 1
1 329 . 13 1 1 A 32 32 ALA CB C 32 22.500 24.062 -1.562 1
1 330 . 13 1 1 A 32 32 ALA N N 32 123.800 121.547 2.253 1
1 331 . 13 1 1 A 33 33 VAL H H 33 9.350 8.811 0.539 1
1 332 . 13 1 1 A 33 33 VAL HA H 33 5.130 4.994 0.136 1
1 340 . 13 1 1 A 33 33 VAL C C 33 172.400 174.270 -1.870 1
1 341 . 13 1 1 A 33 33 VAL CA C 33 59.700 59.278 0.422 1
1 342 . 13 1 1 A 33 33 VAL CB C 33 35.000 35.658 -0.658 1
1 345 . 13 1 1 A 33 33 VAL N N 33 120.200 112.739 7.461 1
1 346 . 13 1 1 A 34 34 ALA H H 34 9.100 8.753 0.347 1
1 347 . 13 1 1 A 34 34 ALA HA H 34 5.130 5.479 -0.349 1
1 351 . 13 1 1 A 34 34 ALA C C 34 174.900 174.916 -0.016 1
1 352 . 13 1 1 A 34 34 ALA CA C 34 49.600 50.694 -1.094 1
1 353 . 13 1 1 A 34 34 ALA CB C 34 21.200 22.276 -1.076 1
1 354 . 13 1 1 A 34 34 ALA N N 34 127.800 124.126 3.674 1
1 355 . 13 1 1 A 35 35 LEU H H 35 8.680 9.079 -0.399 1
1 356 . 13 1 1 A 35 35 LEU HA H 35 4.750 4.698 0.052 1
1 366 . 13 1 1 A 35 35 LEU C C 35 175.700 175.709 -0.009 1
1 367 . 13 1 1 A 35 35 LEU CA C 35 53.200 53.565 -0.365 1
1 368 . 13 1 1 A 35 35 LEU CB C 35 45.600 44.656 0.944 1
1 372 . 13 1 1 A 35 35 LEU N N 35 125.000 125.114 -0.114 1
1 373 . 13 1 1 A 36 36 ASN H H 36 9.960 9.307 0.653 1
1 374 . 13 1 1 A 36 36 ASN HA H 36 3.890 4.271 -0.381 1
1 379 . 13 1 1 A 36 36 ASN C C 36 174.500 174.328 0.172 1
1 380 . 13 1 1 A 36 36 ASN CA C 36 54.900 54.566 0.334 1
1 381 . 13 1 1 A 36 36 ASN CB C 36 36.800 37.003 -0.203 1
1 382 . 13 1 1 A 36 36 ASN N N 36 127.300 125.999 1.301 1
1 384 . 13 1 1 A 37 37 TYR H H 37 8.750 7.990 0.760 1
1 385 . 13 1 1 A 37 37 TYR HA H 37 3.720 4.140 -0.420 1
1 392 . 13 1 1 A 37 37 TYR C C 37 174.100 174.092 0.008 1
1 393 . 13 1 1 A 37 37 TYR CA C 37 59.900 58.859 1.041 1
1 394 . 13 1 1 A 37 37 TYR CB C 37 35.300 35.633 -0.333 1
1 399 . 13 1 1 A 37 37 TYR N N 37 107.500 110.459 -2.959 1
1 400 . 13 1 1 A 38 38 ASP H H 38 7.590 7.671 -0.081 1
1 401 . 13 1 1 A 38 38 ASP HA H 38 5.090 5.098 -0.008 1
1 404 . 13 1 1 A 38 38 ASP C C 38 175.400 175.067 0.333 1
1 405 . 13 1 1 A 38 38 ASP CA C 38 53.100 53.292 -0.192 1
1 406 . 13 1 1 A 38 38 ASP CB C 38 42.900 44.573 -1.673 1
1 407 . 13 1 1 A 38 38 ASP N N 38 119.900 118.119 1.781 1
1 408 . 13 1 1 A 39 39 VAL H H 39 8.590 8.813 -0.223 1
1 409 . 13 1 1 A 39 39 VAL HA H 39 4.220 4.484 -0.264 1
1 417 . 13 1 1 A 39 39 VAL C C 39 176.600 175.370 1.230 1
1 418 . 13 1 1 A 39 39 VAL CA C 39 63.600 63.016 0.584 1
1 419 . 13 1 1 A 39 39 VAL CB C 39 31.700 32.107 -0.407 1
1 422 . 13 1 1 A 39 39 VAL N N 39 124.300 124.162 0.138 1
1 423 . 13 1 1 A 40 40 VAL H H 40 8.970 8.763 0.207 1
1 424 . 13 1 1 A 40 40 VAL HA H 40 4.600 4.612 -0.012 1
1 432 . 13 1 1 A 40 40 VAL CA C 40 59.100 58.942 0.158 1
1 433 . 13 1 1 A 40 40 VAL CB C 40 32.500 33.233 -0.733 1
1 436 . 13 1 1 A 40 40 VAL N N 40 130.800 127.066 3.734 1
1 437 . 13 1 1 A 41 41 PRO HA H 41 4.580 4.704 -0.124 1
1 444 . 13 1 1 A 41 41 PRO C C 41 177.700 177.519 0.181 1
1 445 . 13 1 1 A 41 41 PRO CA C 41 62.800 62.344 0.456 1
1 446 . 13 1 1 A 41 41 PRO CB C 41 32.300 32.620 -0.320 1
1 449 . 13 1 1 A 42 42 ARG H H 42 8.640 8.750 -0.110 1
1 450 . 13 1 1 A 42 42 ARG HA H 42 1.890 2.368 -0.478 1
1 458 . 13 1 1 A 42 42 ARG C C 42 178.800 178.122 0.678 1
1 459 . 13 1 1 A 42 42 ARG CA C 42 58.100 58.922 -0.822 1
1 460 . 13 1 1 A 42 42 ARG CB C 42 29.600 29.409 0.191 1
1 462 . 13 1 1 A 42 42 ARG N N 42 124.000 122.896 1.104 1
1 464 . 13 1 1 A 43 43 GLY H H 43 8.690 8.152 0.538 1
1 465 . 13 1 1 A 43 43 GLY HA2 H 43 3.770 3.922 -0.152 1
1 466 . 13 1 1 A 43 43 GLY HA3 H 43 3.870 3.934 -0.064 1
1 467 . 13 1 1 A 43 43 GLY C C 43 174.600 174.415 0.185 1
1 468 . 13 1 1 A 43 43 GLY CA C 43 45.800 46.203 -0.403 1
1 469 . 13 1 1 A 43 43 GLY N N 43 106.000 106.678 -0.678 1
1 470 . 13 1 1 A 44 44 LYS H H 44 8.260 7.906 0.354 1
1 471 . 13 1 1 A 44 44 LYS HA H 44 4.840 4.599 0.241 1
1 480 . 13 1 1 A 44 44 LYS C C 44 179.200 177.207 1.993 1
1 481 . 13 1 1 A 44 44 LYS CA C 44 54.500 55.923 -1.423 1
1 482 . 13 1 1 A 44 44 LYS CB C 44 32.900 33.827 -0.927 1
1 486 . 13 1 1 A 44 44 LYS N N 44 115.900 117.800 -1.900 1
1 487 . 13 1 1 A 45 45 TRP H H 45 8.120 7.978 0.142 1
1 488 . 13 1 1 A 45 45 TRP HA H 45 4.350 4.396 -0.046 1
1 497 . 13 1 1 A 45 45 TRP C C 45 178.400 178.324 0.076 1
1 498 . 13 1 1 A 45 45 TRP CA C 45 60.500 59.843 0.657 1
1 499 . 13 1 1 A 45 45 TRP CB C 45 28.500 29.383 -0.883 1
1 505 . 13 1 1 A 45 45 TRP N N 45 124.800 120.582 4.218 1
1 507 . 13 1 1 A 46 46 ASP H H 46 8.950 8.484 0.466 1
1 508 . 13 1 1 A 46 46 ASP HA H 46 4.460 4.396 0.064 1
1 511 . 13 1 1 A 46 46 ASP C C 46 176.800 177.718 -0.918 1
1 512 . 13 1 1 A 46 46 ASP CA C 46 56.900 57.648 -0.748 1
1 513 . 13 1 1 A 46 46 ASP CB C 46 40.400 41.002 -0.602 1
1 514 . 13 1 1 A 46 46 ASP N N 46 117.400 120.886 -3.486 1
1 515 . 13 1 1 A 47 47 GLU H H 47 7.530 7.831 -0.301 1
1 516 . 13 1 1 A 47 47 GLU HA H 47 4.580 4.405 0.175 1
1 521 . 13 1 1 A 47 47 GLU C C 47 175.500 175.597 -0.097 1
1 522 . 13 1 1 A 47 47 GLU CA C 47 55.300 56.758 -1.458 1
1 523 . 13 1 1 A 47 47 GLU CB C 47 30.800 30.032 0.768 1
1 525 . 13 1 1 A 47 47 GLU N N 47 114.500 116.671 -2.171 1
1 526 . 13 1 1 A 48 48 THR H H 48 7.230 7.460 -0.230 1
1 527 . 13 1 1 A 48 48 THR HA H 48 4.700 4.505 0.195 1
1 532 . 13 1 1 A 48 48 THR CA C 48 60.800 59.474 1.326 1
1 533 . 13 1 1 A 48 48 THR CB C 48 70.100 69.595 0.505 1
1 534 . 13 1 1 A 48 48 THR N N 48 119.900 116.538 3.362 1
1 535 . 13 1 1 A 49 49 PRO HA H 49 4.890 4.649 0.241 1
1 542 . 13 1 1 A 49 49 PRO C C 49 175.400 175.149 0.251 1
1 543 . 13 1 1 A 49 49 PRO CA C 49 62.100 62.290 -0.190 1
1 544 . 13 1 1 A 49 49 PRO CB C 49 32.900 32.684 0.216 1
1 547 . 13 1 1 A 50 50 VAL H H 50 6.960 7.979 -1.019 1
1 548 . 13 1 1 A 50 50 VAL HA H 50 4.030 4.711 -0.681 1
1 556 . 13 1 1 A 50 50 VAL C C 50 173.800 174.694 -0.894 1
1 557 . 13 1 1 A 50 50 VAL CA C 50 61.400 60.493 0.907 1
1 558 . 13 1 1 A 50 50 VAL CB C 50 33.900 33.816 0.084 1
1 561 . 13 1 1 A 50 50 VAL N N 50 119.400 120.321 -0.921 1
1 562 . 13 1 1 A 51 51 THR H H 51 8.940 8.736 0.204 1
1 563 . 13 1 1 A 51 51 THR HA H 51 4.460 4.813 -0.353 1
1 568 . 13 1 1 A 51 51 THR C C 51 172.300 173.665 -1.365 1
1 569 . 13 1 1 A 51 51 THR CA C 51 60.600 61.213 -0.613 1
1 570 . 13 1 1 A 51 51 THR CB C 51 71.000 71.121 -0.121 1
1 571 . 13 1 1 A 51 51 THR N N 51 122.600 124.064 -1.464 1
1 572 . 13 1 1 A 52 52 ALA H H 52 8.150 8.576 -0.426 1
1 573 . 13 1 1 A 52 52 ALA HA H 52 3.940 3.951 -0.011 1
1 577 . 13 1 1 A 52 52 ALA C C 52 179.100 178.157 0.943 1
1 578 . 13 1 1 A 52 52 ALA CA C 52 53.700 53.775 -0.075 1
1 579 . 13 1 1 A 52 52 ALA CB C 52 18.200 18.349 -0.149 1
1 580 . 13 1 1 A 52 52 ALA N N 52 125.400 129.166 -3.766 1
1 581 . 13 1 1 A 53 53 GLY H H 53 9.160 8.917 0.243 1
1 582 . 13 1 1 A 53 53 GLY HA2 H 53 3.670 4.000 -0.330 1
1 583 . 13 1 1 A 53 53 GLY HA3 H 53 4.310 4.003 0.307 1
1 584 . 13 1 1 A 53 53 GLY C C 53 174.900 174.096 0.804 1
1 585 . 13 1 1 A 53 53 GLY CA C 53 44.700 44.939 -0.239 1
1 586 . 13 1 1 A 53 53 GLY N N 53 111.000 110.433 0.567 1
1 587 . 13 1 1 A 54 54 ASP H H 54 8.180 7.865 0.315 1
1 588 . 13 1 1 A 54 54 ASP HA H 54 4.700 4.626 0.074 1
1 591 . 13 1 1 A 54 54 ASP C C 54 174.600 175.662 -1.062 1
1 592 . 13 1 1 A 54 54 ASP CA C 54 56.100 54.349 1.751 1
1 593 . 13 1 1 A 54 54 ASP CB C 54 41.800 41.636 0.164 1
1 594 . 13 1 1 A 54 54 ASP N N 54 122.700 121.161 1.539 1
1 595 . 13 1 1 A 55 55 GLU H H 55 8.160 8.532 -0.372 1
1 596 . 13 1 1 A 55 55 GLU HA H 55 4.730 4.612 0.118 1
1 601 . 13 1 1 A 55 55 GLU C C 55 175.000 175.455 -0.455 1
1 602 . 13 1 1 A 55 55 GLU CA C 55 55.100 56.065 -0.965 1
1 603 . 13 1 1 A 55 55 GLU CB C 55 30.500 30.412 0.088 1
1 605 . 13 1 1 A 55 55 GLU N N 55 118.800 122.523 -3.723 1
1 606 . 13 1 1 A 56 56 ILE H H 56 9.320 9.271 0.049 1
1 607 . 13 1 1 A 56 56 ILE HA H 56 4.950 4.770 0.180 1
1 617 . 13 1 1 A 56 56 ILE C C 56 175.100 175.093 0.007 1
1 618 . 13 1 1 A 56 56 ILE CA C 56 59.800 59.875 -0.075 1
1 619 . 13 1 1 A 56 56 ILE CB C 56 40.200 40.388 -0.188 1
1 623 . 13 1 1 A 56 56 ILE N N 56 127.400 125.881 1.519 1
1 624 . 13 1 1 A 57 57 GLU H H 57 9.170 8.651 0.519 1
1 625 . 13 1 1 A 57 57 GLU HA H 57 5.000 5.068 -0.068 1
1 630 . 13 1 1 A 57 57 GLU C C 57 174.100 175.150 -1.050 1
1 631 . 13 1 1 A 57 57 GLU CA C 57 54.400 54.521 -0.121 1
1 632 . 13 1 1 A 57 57 GLU CB C 57 32.900 33.099 -0.199 1
1 634 . 13 1 1 A 57 57 GLU N N 57 129.600 125.895 3.705 1
1 635 . 13 1 1 A 58 58 ILE H H 58 9.500 8.955 0.545 1
1 636 . 13 1 1 A 58 58 ILE HA H 58 4.610 4.670 -0.060 1
1 646 . 13 1 1 A 58 58 ILE C C 58 175.900 175.550 0.350 1
1 647 . 13 1 1 A 58 58 ILE CA C 58 59.900 59.479 0.421 1
1 648 . 13 1 1 A 58 58 ILE CB C 58 37.800 39.236 -1.436 1
1 652 . 13 1 1 A 58 58 ILE N N 58 126.500 124.450 2.050 1
1 653 . 13 1 1 A 59 59 LEU H H 59 9.150 8.666 0.484 1
1 654 . 13 1 1 A 59 59 LEU HA H 59 4.840 4.608 0.232 1
1 663 . 13 1 1 A 59 59 LEU C C 59 175.800 176.465 -0.665 1
1 664 . 13 1 1 A 59 59 LEU CA C 59 53.800 54.774 -0.974 1
1 665 . 13 1 1 A 59 59 LEU CB C 59 44.300 42.613 1.687 1
1 668 . 13 1 1 A 59 59 LEU N N 59 129.800 128.551 1.249 1
1 669 . 13 1 1 A 60 60 THR H H 60 8.470 8.800 -0.330 1
1 673 . 13 1 1 A 60 60 THR CA C 60 58.200 58.752 -0.552 1
1 674 . 13 1 1 A 60 60 THR CB C 60 69.900 69.052 0.848 1
1 676 . 13 1 1 A 60 60 THR N N 60 114.300 115.842 -1.542 1
1 677 . 13 1 1 A 61 61 PRO HA H 61 4.400 4.839 -0.439 1
1 680 . 13 1 1 A 61 61 PRO CA C 61 63.200 62.550 0.650 1
1 681 . 13 1 1 A 61 61 PRO CB C 61 32.100 31.628 0.472 1
1 682 . 13 1 1 A 62 62 ARG HA H 62 4.260 4.847 -0.587 1
1 689 . 13 1 1 A 62 62 ARG C C 62 176.500 174.115 2.385 1
1 690 . 13 1 1 A 62 62 ARG CA C 62 56.500 55.601 0.899 1
1 691 . 13 1 1 A 62 62 ARG CB C 62 30.500 33.745 -3.245 1
1 694 . 13 1 1 A 63 63 GLN H H 63 8.500 8.601 -0.101 1
1 695 . 13 1 1 A 63 63 GLN HA H 63 4.250 5.150 -0.900 1
1 702 . 13 1 1 A 63 63 GLN C C 63 176.400 174.302 2.098 1
1 703 . 13 1 1 A 63 63 GLN CA C 63 56.000 54.887 1.113 1
1 704 . 13 1 1 A 63 63 GLN CB C 63 29.200 32.217 -3.017 1
1 706 . 13 1 1 A 63 63 GLN N N 63 121.700 122.019 -0.319 1
1 708 . 13 1 1 A 64 64 GLY H H 64 8.330 8.366 -0.036 1
1 709 . 13 1 1 A 64 64 GLY HA2 H 64 3.940 4.188 -0.248 1
1 710 . 13 1 1 A 64 64 GLY HA3 H 64 3.940 4.200 -0.260 1
1 711 . 13 1 1 A 64 64 GLY C C 64 174.500 173.453 1.047 1
1 712 . 13 1 1 A 64 64 GLY CA C 64 45.300 45.794 -0.494 1
1 713 . 13 1 1 A 64 64 GLY N N 64 110.100 107.343 2.757 1
1 714 . 13 1 1 A 65 65 GLY H H 65 8.260 8.660 -0.400 1
1 715 . 13 1 1 A 65 65 GLY HA2 H 65 3.940 3.986 -0.046 1
1 716 . 13 1 1 A 65 65 GLY HA3 H 65 3.940 3.988 -0.048 1
1 717 . 13 1 1 A 65 65 GLY C C 65 174.200 174.543 -0.343 1
1 718 . 13 1 1 A 65 65 GLY CA C 65 45.200 45.288 -0.088 1
1 719 . 13 1 1 A 65 65 GLY N N 65 108.500 109.999 -1.499 1
1 720 . 13 1 1 A 66 66 LEU H H 66 8.200 8.573 -0.373 1
1 721 . 13 1 1 A 66 66 LEU HA H 66 4.250 3.808 0.442 1
1 730 . 13 1 1 A 66 66 LEU C C 66 177.400 177.612 -0.212 1
1 731 . 13 1 1 A 66 66 LEU CA C 66 55.200 55.179 0.021 1
1 732 . 13 1 1 A 66 66 LEU CB C 66 42.300 41.429 0.871 1
1 736 . 13 1 1 A 66 66 LEU N N 66 121.200 121.688 -0.488 1
1 737 . 13 1 1 A 67 67 GLU H H 67 8.460 7.919 0.541 1
1 738 . 13 1 1 A 67 67 GLU HA H 67 4.170 4.239 -0.069 1
1 743 . 13 1 1 A 67 67 GLU CA C 67 56.500 57.424 -0.924 1
1 744 . 13 1 1 A 67 67 GLU CB C 67 30.000 30.146 -0.146 1
1 2 . 14 1 1 A 2 2 LEU H H 2 8.810 7.492 1.318 1
1 3 . 14 1 1 A 2 2 LEU HA H 2 4.930 4.209 0.721 1
1 12 . 14 1 1 A 2 2 LEU C C 2 175.900 176.625 -0.725 1
1 13 . 14 1 1 A 2 2 LEU CA C 2 55.100 54.839 0.261 1
1 14 . 14 1 1 A 2 2 LEU CB C 2 42.600 42.508 0.092 1
1 17 . 14 1 1 A 2 2 LEU N N 2 127.000 120.417 6.583 1
1 18 . 14 1 1 A 3 3 VAL H H 3 8.670 8.752 -0.082 1
1 19 . 14 1 1 A 3 3 VAL HA H 3 4.580 4.832 -0.252 1
1 27 . 14 1 1 A 3 3 VAL C C 3 174.000 174.604 -0.604 1
1 28 . 14 1 1 A 3 3 VAL CA C 3 59.400 59.816 -0.416 1
1 29 . 14 1 1 A 3 3 VAL CB C 3 35.500 34.343 1.157 1
1 32 . 14 1 1 A 3 3 VAL N N 3 119.900 119.668 0.232 1
1 33 . 14 1 1 A 4 4 THR H H 4 8.310 8.880 -0.570 1
1 34 . 14 1 1 A 4 4 THR HA H 4 4.850 4.781 0.069 1
1 39 . 14 1 1 A 4 4 THR C C 4 173.600 174.107 -0.507 1
1 40 . 14 1 1 A 4 4 THR CA C 4 61.700 62.284 -0.584 1
1 41 . 14 1 1 A 4 4 THR CB C 4 69.500 69.191 0.309 1
1 43 . 14 1 1 A 4 4 THR N N 4 116.000 120.702 -4.702 1
1 44 . 14 1 1 A 5 5 ILE H H 5 9.060 9.312 -0.252 1
1 45 . 14 1 1 A 5 5 ILE HA H 5 4.830 4.782 0.048 1
1 55 . 14 1 1 A 5 5 ILE C C 5 176.100 175.848 0.252 1
1 56 . 14 1 1 A 5 5 ILE CA C 5 59.400 60.214 -0.814 1
1 57 . 14 1 1 A 5 5 ILE CB C 5 39.300 39.077 0.223 1
1 61 . 14 1 1 A 5 5 ILE N N 5 125.000 127.456 -2.456 1
1 62 . 14 1 1 A 6 6 ASN H H 6 9.480 9.173 0.307 1
1 63 . 14 1 1 A 6 6 ASN HA H 6 4.510 4.448 0.062 1
1 68 . 14 1 1 A 6 6 ASN C C 6 175.700 175.523 0.177 1
1 69 . 14 1 1 A 6 6 ASN CA C 6 54.100 54.687 -0.587 1
1 70 . 14 1 1 A 6 6 ASN CB C 6 36.100 37.252 -1.152 1
1 71 . 14 1 1 A 6 6 ASN N N 6 129.500 127.929 1.571 1
1 73 . 14 1 1 A 7 7 GLY H H 7 8.860 8.637 0.223 1
1 74 . 14 1 1 A 7 7 GLY HA2 H 7 3.560 3.848 -0.288 1
1 75 . 14 1 1 A 7 7 GLY HA3 H 7 4.180 3.850 0.330 1
1 76 . 14 1 1 A 7 7 GLY C C 7 173.500 173.521 -0.021 1
1 77 . 14 1 1 A 7 7 GLY CA C 7 45.300 45.346 -0.046 1
1 78 . 14 1 1 A 7 7 GLY N N 7 102.200 104.250 -2.050 1
1 79 . 14 1 1 A 8 8 GLU H H 8 7.790 8.171 -0.381 1
1 80 . 14 1 1 A 8 8 GLU HA H 8 4.690 4.651 0.039 1
1 85 . 14 1 1 A 8 8 GLU C C 8 175.300 175.109 0.191 1
1 86 . 14 1 1 A 8 8 GLU CA C 8 54.200 54.761 -0.561 1
1 87 . 14 1 1 A 8 8 GLU CB C 8 32.300 32.232 0.068 1
1 89 . 14 1 1 A 8 8 GLU N N 8 120.900 120.932 -0.032 1
1 90 . 14 1 1 A 9 9 GLN H H 9 8.940 8.584 0.356 1
1 91 . 14 1 1 A 9 9 GLN HA H 9 4.770 4.716 0.054 1
1 96 . 14 1 1 A 9 9 GLN C C 9 176.000 175.230 0.770 1
1 97 . 14 1 1 A 9 9 GLN CA C 9 56.900 55.938 0.962 1
1 98 . 14 1 1 A 9 9 GLN CB C 9 29.300 29.192 0.108 1
1 100 . 14 1 1 A 9 9 GLN N N 9 125.800 125.931 -0.131 1
1 101 . 14 1 1 A 10 10 ARG H H 10 9.230 8.583 0.647 1
1 102 . 14 1 1 A 10 10 ARG HA H 10 4.580 4.774 -0.194 1
1 110 . 14 1 1 A 10 10 ARG C C 10 173.300 173.744 -0.444 1
1 111 . 14 1 1 A 10 10 ARG CA C 10 54.400 54.784 -0.384 1
1 112 . 14 1 1 A 10 10 ARG CB C 10 34.400 34.511 -0.111 1
1 115 . 14 1 1 A 10 10 ARG N N 10 125.200 123.817 1.383 1
1 117 . 14 1 1 A 11 11 GLU H H 11 8.380 8.801 -0.421 1
1 118 . 14 1 1 A 11 11 GLU HA H 11 4.860 5.038 -0.178 1
1 123 . 14 1 1 A 11 11 GLU C C 11 176.900 175.765 1.135 1
1 124 . 14 1 1 A 11 11 GLU CA C 11 54.800 55.468 -0.668 1
1 125 . 14 1 1 A 11 11 GLU CB C 11 30.000 31.622 -1.622 1
1 127 . 14 1 1 A 11 11 GLU N N 11 123.300 125.718 -2.418 1
1 128 . 14 1 1 A 12 12 VAL H H 12 9.070 8.872 0.198 1
1 129 . 14 1 1 A 12 12 VAL HA H 12 4.870 4.729 0.141 1
1 137 . 14 1 1 A 12 12 VAL C C 12 175.200 175.176 0.024 1
1 138 . 14 1 1 A 12 12 VAL CA C 12 58.600 58.930 -0.330 1
1 139 . 14 1 1 A 12 12 VAL CB C 12 34.400 35.185 -0.785 1
1 142 . 14 1 1 A 12 12 VAL N N 12 119.600 119.899 -0.299 1
1 143 . 14 1 1 A 13 13 GLN H H 13 10.260 8.584 1.676 1
1 144 . 14 1 1 A 13 13 GLN HA H 13 4.550 4.468 0.082 1
1 149 . 14 1 1 A 13 13 GLN C C 13 177.700 176.352 1.348 1
1 150 . 14 1 1 A 13 13 GLN CA C 13 55.200 55.239 -0.039 1
1 151 . 14 1 1 A 13 13 GLN CB C 13 30.000 28.986 1.014 1
1 152 . 14 1 1 A 13 13 GLN N N 13 120.900 119.937 0.963 1
1 153 . 14 1 1 A 14 14 SER H H 14 8.190 7.805 0.385 1
1 154 . 14 1 1 A 14 14 SER HA H 14 4.100 4.403 -0.303 1
1 157 . 14 1 1 A 14 14 SER C C 14 171.700 174.798 -3.098 1
1 158 . 14 1 1 A 14 14 SER CA C 14 61.000 57.852 3.148 1
1 159 . 14 1 1 A 14 14 SER CB C 14 65.300 65.064 0.236 1
1 160 . 14 1 1 A 14 14 SER N N 14 118.500 117.326 1.174 1
1 161 . 14 1 1 A 15 15 ALA H H 15 8.320 8.686 -0.366 1
1 162 . 14 1 1 A 15 15 ALA HA H 15 4.610 4.709 -0.099 1
1 166 . 14 1 1 A 15 15 ALA C C 15 177.900 176.844 1.056 1
1 167 . 14 1 1 A 15 15 ALA CA C 15 51.200 51.188 0.012 1
1 168 . 14 1 1 A 15 15 ALA CB C 15 20.100 20.197 -0.097 1
1 169 . 14 1 1 A 15 15 ALA N N 15 118.500 122.824 -4.324 1
1 170 . 14 1 1 A 16 16 SER H H 16 7.480 7.699 -0.219 1
1 171 . 14 1 1 A 16 16 SER HA H 16 5.390 4.849 0.541 1
1 174 . 14 1 1 A 16 16 SER C C 16 174.600 173.648 0.952 1
1 175 . 14 1 1 A 16 16 SER CA C 16 55.600 57.439 -1.839 1
1 176 . 14 1 1 A 16 16 SER CB C 16 67.400 67.077 0.323 1
1 177 . 14 1 1 A 16 16 SER N N 16 112.400 113.424 -1.024 1
1 178 . 14 1 1 A 17 17 VAL H H 17 8.810 8.769 0.041 1
1 179 . 14 1 1 A 17 17 VAL HA H 17 3.120 3.515 -0.395 1
1 187 . 14 1 1 A 17 17 VAL C C 17 176.500 177.326 -0.826 1
1 188 . 14 1 1 A 17 17 VAL CA C 17 66.900 66.271 0.629 1
1 189 . 14 1 1 A 17 17 VAL CB C 17 31.300 31.544 -0.244 1
1 192 . 14 1 1 A 17 17 VAL N N 17 122.400 123.203 -0.803 1
1 193 . 14 1 1 A 18 18 ALA H H 18 7.460 8.696 -1.236 1
1 194 . 14 1 1 A 18 18 ALA HA H 18 4.000 4.104 -0.104 1
1 198 . 14 1 1 A 18 18 ALA C C 18 179.600 179.580 0.020 1
1 199 . 14 1 1 A 18 18 ALA CA C 18 55.300 55.875 -0.575 1
1 200 . 14 1 1 A 18 18 ALA CB C 18 18.800 18.041 0.759 1
1 201 . 14 1 1 A 18 18 ALA N N 18 119.300 122.118 -2.818 1
1 202 . 14 1 1 A 19 19 ALA H H 19 7.620 7.840 -0.220 1
1 203 . 14 1 1 A 19 19 ALA HA H 19 4.130 4.120 0.010 1
1 207 . 14 1 1 A 19 19 ALA C C 19 179.500 180.160 -0.660 1
1 208 . 14 1 1 A 19 19 ALA CA C 19 55.000 55.229 -0.229 1
1 209 . 14 1 1 A 19 19 ALA CB C 19 17.400 17.646 -0.246 1
1 210 . 14 1 1 A 19 19 ALA N N 19 120.000 120.908 -0.908 1
1 211 . 14 1 1 A 20 20 LEU H H 20 8.260 8.237 0.023 1
1 212 . 14 1 1 A 20 20 LEU HA H 20 4.120 4.070 0.050 1
1 221 . 14 1 1 A 20 20 LEU C C 20 177.700 178.464 -0.764 1
1 222 . 14 1 1 A 20 20 LEU CA C 20 57.500 57.782 -0.282 1
1 223 . 14 1 1 A 20 20 LEU CB C 20 42.000 41.531 0.469 1
1 226 . 14 1 1 A 20 20 LEU N N 20 121.900 120.206 1.694 1
1 227 . 14 1 1 A 21 21 MET H H 21 8.020 8.315 -0.295 1
1 228 . 14 1 1 A 21 21 MET HA H 21 4.130 4.270 -0.140 1
1 230 . 14 1 1 A 21 21 MET C C 21 179.300 178.385 0.915 1
1 231 . 14 1 1 A 21 21 MET CA C 21 57.000 58.673 -1.673 1
1 232 . 14 1 1 A 21 21 MET CB C 21 30.300 32.261 -1.961 1
1 233 . 14 1 1 A 21 21 MET N N 21 115.800 119.260 -3.460 1
1 234 . 14 1 1 A 22 22 THR H H 22 7.380 7.633 -0.253 1
1 235 . 14 1 1 A 22 22 THR HA H 22 3.950 4.013 -0.063 1
1 240 . 14 1 1 A 22 22 THR C C 22 177.300 176.004 1.296 1
1 241 . 14 1 1 A 22 22 THR CA C 22 66.600 67.692 -1.092 1
1 242 . 14 1 1 A 22 22 THR CB C 22 68.200 68.180 0.020 1
1 244 . 14 1 1 A 22 22 THR N N 22 116.500 115.170 1.330 1
1 245 . 14 1 1 A 23 23 GLU H H 23 8.650 8.438 0.212 1
1 246 . 14 1 1 A 23 23 GLU HA H 23 3.960 4.029 -0.069 1
1 251 . 14 1 1 A 23 23 GLU C C 23 177.900 178.508 -0.608 1
1 252 . 14 1 1 A 23 23 GLU CA C 23 59.500 59.411 0.089 1
1 253 . 14 1 1 A 23 23 GLU CB C 23 29.600 29.256 0.344 1
1 255 . 14 1 1 A 23 23 GLU N N 23 128.000 121.526 6.474 1
1 256 . 14 1 1 A 24 24 LEU H H 24 8.140 7.761 0.379 1
1 257 . 14 1 1 A 24 24 LEU HA H 24 4.200 4.263 -0.063 1
1 266 . 14 1 1 A 24 24 LEU C C 24 175.800 175.632 0.168 1
1 267 . 14 1 1 A 24 24 LEU CA C 24 54.200 54.980 -0.780 1
1 268 . 14 1 1 A 24 24 LEU CB C 24 41.900 41.956 -0.056 1
1 271 . 14 1 1 A 24 24 LEU N N 24 115.900 118.051 -2.151 1
1 272 . 14 1 1 A 25 25 ASP H H 25 7.980 8.398 -0.418 1
1 273 . 14 1 1 A 25 25 ASP HA H 25 4.440 4.371 0.069 1
1 276 . 14 1 1 A 25 25 ASP C C 25 175.800 175.811 -0.011 1
1 277 . 14 1 1 A 25 25 ASP CA C 25 55.200 55.465 -0.265 1
1 278 . 14 1 1 A 25 25 ASP CB C 25 39.400 38.740 0.660 1
1 279 . 14 1 1 A 25 25 ASP N N 25 118.400 115.930 2.470 1
1 280 . 14 1 1 A 26 26 CYS H H 26 8.510 7.805 0.705 1
1 281 . 14 1 1 A 26 26 CYS HA H 26 4.460 4.154 0.306 1
1 284 . 14 1 1 A 26 26 CYS C C 26 174.300 174.712 -0.412 1
1 285 . 14 1 1 A 26 26 CYS CA C 26 58.500 64.067 -5.567 1
1 286 . 14 1 1 A 26 26 CYS CB C 26 27.100 27.268 -0.168 1
1 287 . 14 1 1 A 26 26 CYS N N 26 117.000 116.487 0.513 1
1 288 . 14 1 1 A 27 27 THR H H 27 7.810 7.790 0.020 1
1 289 . 14 1 1 A 27 27 THR HA H 27 4.450 4.126 0.324 1
1 291 . 14 1 1 A 27 27 THR CA C 27 62.200 62.521 -0.321 1
1 292 . 14 1 1 A 27 27 THR CB C 27 69.400 67.397 2.003 1
1 293 . 14 1 1 A 27 27 THR N N 27 107.800 112.167 -4.367 1
1 294 . 14 1 1 A 29 29 GLY H H 29 8.440 8.360 0.080 1
1 295 . 14 1 1 A 29 29 GLY HA2 H 29 3.890 3.512 0.378 1
1 296 . 14 1 1 A 29 29 GLY HA3 H 29 3.970 3.758 0.212 1
1 297 . 14 1 1 A 29 29 GLY C C 29 173.800 174.900 -1.100 1
1 298 . 14 1 1 A 29 29 GLY CA C 29 45.800 45.355 0.445 1
1 299 . 14 1 1 A 29 29 GLY N N 29 108.100 108.695 -0.595 1
1 300 . 14 1 1 A 30 30 HIS H H 30 8.210 8.396 -0.186 1
1 301 . 14 1 1 A 30 30 HIS HA H 30 4.650 4.370 0.280 1
1 305 . 14 1 1 A 30 30 HIS C C 30 173.500 175.297 -1.797 1
1 306 . 14 1 1 A 30 30 HIS CA C 30 55.600 56.270 -0.670 1
1 307 . 14 1 1 A 30 30 HIS CB C 30 28.700 29.871 -1.171 1
1 309 . 14 1 1 A 30 30 HIS N N 30 117.300 117.734 -0.434 1
1 310 . 14 1 1 A 31 31 PHE H H 31 7.520 6.899 0.621 1
1 311 . 14 1 1 A 31 31 PHE HA H 31 5.050 4.634 0.416 1
1 316 . 14 1 1 A 31 31 PHE C C 31 175.200 174.728 0.472 1
1 317 . 14 1 1 A 31 31 PHE CA C 31 58.000 54.910 3.090 1
1 318 . 14 1 1 A 31 31 PHE CB C 31 41.200 41.527 -0.327 1
1 321 . 14 1 1 A 31 31 PHE N N 31 117.000 115.537 1.463 1
1 322 . 14 1 1 A 32 32 ALA H H 32 9.010 9.043 -0.033 1
1 323 . 14 1 1 A 32 32 ALA HA H 32 5.010 5.525 -0.515 1
1 327 . 14 1 1 A 32 32 ALA C C 32 174.800 176.731 -1.931 1
1 328 . 14 1 1 A 32 32 ALA CA C 32 50.400 50.142 0.258 1
1 329 . 14 1 1 A 32 32 ALA CB C 32 22.500 22.840 -0.340 1
1 330 . 14 1 1 A 32 32 ALA N N 32 123.800 122.336 1.464 1
1 331 . 14 1 1 A 33 33 VAL H H 33 9.350 8.928 0.422 1
1 332 . 14 1 1 A 33 33 VAL HA H 33 5.130 5.156 -0.026 1
1 340 . 14 1 1 A 33 33 VAL C C 33 172.400 174.180 -1.780 1
1 341 . 14 1 1 A 33 33 VAL CA C 33 59.700 59.097 0.603 1
1 342 . 14 1 1 A 33 33 VAL CB C 33 35.000 35.615 -0.615 1
1 345 . 14 1 1 A 33 33 VAL N N 33 120.200 112.619 7.581 1
1 346 . 14 1 1 A 34 34 ALA H H 34 9.100 8.729 0.371 1
1 347 . 14 1 1 A 34 34 ALA HA H 34 5.130 5.466 -0.336 1
1 351 . 14 1 1 A 34 34 ALA C C 34 174.900 174.889 0.011 1
1 352 . 14 1 1 A 34 34 ALA CA C 34 49.600 50.634 -1.034 1
1 353 . 14 1 1 A 34 34 ALA CB C 34 21.200 22.011 -0.811 1
1 354 . 14 1 1 A 34 34 ALA N N 34 127.800 123.999 3.801 1
1 355 . 14 1 1 A 35 35 LEU H H 35 8.680 9.014 -0.334 1
1 356 . 14 1 1 A 35 35 LEU HA H 35 4.750 4.776 -0.026 1
1 366 . 14 1 1 A 35 35 LEU C C 35 175.700 175.817 -0.117 1
1 367 . 14 1 1 A 35 35 LEU CA C 35 53.200 53.393 -0.193 1
1 368 . 14 1 1 A 35 35 LEU CB C 35 45.600 44.667 0.933 1
1 372 . 14 1 1 A 35 35 LEU N N 35 125.000 125.212 -0.212 1
1 373 . 14 1 1 A 36 36 ASN H H 36 9.960 9.027 0.933 1
1 374 . 14 1 1 A 36 36 ASN HA H 36 3.890 4.471 -0.581 1
1 379 . 14 1 1 A 36 36 ASN C C 36 174.500 175.092 -0.592 1
1 380 . 14 1 1 A 36 36 ASN CA C 36 54.900 54.717 0.183 1
1 381 . 14 1 1 A 36 36 ASN CB C 36 36.800 37.126 -0.326 1
1 382 . 14 1 1 A 36 36 ASN N N 36 127.300 125.881 1.419 1
1 384 . 14 1 1 A 37 37 TYR H H 37 8.750 8.644 0.106 1
1 385 . 14 1 1 A 37 37 TYR HA H 37 3.720 4.231 -0.511 1
1 392 . 14 1 1 A 37 37 TYR C C 37 174.100 174.081 0.019 1
1 393 . 14 1 1 A 37 37 TYR CA C 37 59.900 58.924 0.976 1
1 394 . 14 1 1 A 37 37 TYR CB C 37 35.300 36.981 -1.681 1
1 399 . 14 1 1 A 37 37 TYR N N 37 107.500 116.164 -8.664 1
1 400 . 14 1 1 A 38 38 ASP H H 38 7.590 7.675 -0.085 1
1 401 . 14 1 1 A 38 38 ASP HA H 38 5.090 5.024 0.066 1
1 404 . 14 1 1 A 38 38 ASP C C 38 175.400 174.971 0.429 1
1 405 . 14 1 1 A 38 38 ASP CA C 38 53.100 53.140 -0.040 1
1 406 . 14 1 1 A 38 38 ASP CB C 38 42.900 44.549 -1.649 1
1 407 . 14 1 1 A 38 38 ASP N N 38 119.900 118.443 1.457 1
1 408 . 14 1 1 A 39 39 VAL H H 39 8.590 8.689 -0.099 1
1 409 . 14 1 1 A 39 39 VAL HA H 39 4.220 4.409 -0.189 1
1 417 . 14 1 1 A 39 39 VAL C C 39 176.600 175.296 1.304 1
1 418 . 14 1 1 A 39 39 VAL CA C 39 63.600 62.884 0.716 1
1 419 . 14 1 1 A 39 39 VAL CB C 39 31.700 32.029 -0.329 1
1 422 . 14 1 1 A 39 39 VAL N N 39 124.300 123.982 0.318 1
1 423 . 14 1 1 A 40 40 VAL H H 40 8.970 8.597 0.373 1
1 424 . 14 1 1 A 40 40 VAL HA H 40 4.600 4.575 0.025 1
1 432 . 14 1 1 A 40 40 VAL CA C 40 59.100 58.681 0.419 1
1 433 . 14 1 1 A 40 40 VAL CB C 40 32.500 34.101 -1.601 1
1 436 . 14 1 1 A 40 40 VAL N N 40 130.800 127.209 3.591 1
1 437 . 14 1 1 A 41 41 PRO HA H 41 4.580 4.657 -0.077 1
1 444 . 14 1 1 A 41 41 PRO C C 41 177.700 177.613 0.087 1
1 445 . 14 1 1 A 41 41 PRO CA C 41 62.800 62.482 0.318 1
1 446 . 14 1 1 A 41 41 PRO CB C 41 32.300 32.692 -0.392 1
1 449 . 14 1 1 A 42 42 ARG H H 42 8.640 8.212 0.428 1
1 450 . 14 1 1 A 42 42 ARG HA H 42 1.890 1.852 0.038 1
1 458 . 14 1 1 A 42 42 ARG C C 42 178.800 176.188 2.612 1
1 459 . 14 1 1 A 42 42 ARG CA C 42 58.100 57.103 0.997 1
1 460 . 14 1 1 A 42 42 ARG CB C 42 29.600 28.619 0.981 1
1 462 . 14 1 1 A 42 42 ARG N N 42 124.000 121.915 2.085 1
1 464 . 14 1 1 A 43 43 GLY H H 43 8.690 7.852 0.838 1
1 465 . 14 1 1 A 43 43 GLY HA2 H 43 3.770 3.842 -0.072 1
1 466 . 14 1 1 A 43 43 GLY HA3 H 43 3.870 3.875 -0.005 1
1 467 . 14 1 1 A 43 43 GLY C C 43 174.600 174.429 0.171 1
1 468 . 14 1 1 A 43 43 GLY CA C 43 45.800 45.436 0.364 1
1 469 . 14 1 1 A 43 43 GLY N N 43 106.000 108.485 -2.485 1
1 470 . 14 1 1 A 44 44 LYS H H 44 8.260 8.032 0.228 1
1 471 . 14 1 1 A 44 44 LYS HA H 44 4.840 4.535 0.305 1
1 480 . 14 1 1 A 44 44 LYS C C 44 179.200 177.118 2.082 1
1 481 . 14 1 1 A 44 44 LYS CA C 44 54.500 55.888 -1.388 1
1 482 . 14 1 1 A 44 44 LYS CB C 44 32.900 32.839 0.061 1
1 486 . 14 1 1 A 44 44 LYS N N 44 115.900 117.871 -1.971 1
1 487 . 14 1 1 A 45 45 TRP H H 45 8.120 7.729 0.391 1
1 488 . 14 1 1 A 45 45 TRP HA H 45 4.350 4.384 -0.034 1
1 497 . 14 1 1 A 45 45 TRP C C 45 178.400 178.319 0.081 1
1 498 . 14 1 1 A 45 45 TRP CA C 45 60.500 59.703 0.797 1
1 499 . 14 1 1 A 45 45 TRP CB C 45 28.500 29.294 -0.794 1
1 505 . 14 1 1 A 45 45 TRP N N 45 124.800 120.803 3.997 1
1 507 . 14 1 1 A 46 46 ASP H H 46 8.950 8.476 0.474 1
1 508 . 14 1 1 A 46 46 ASP HA H 46 4.460 4.414 0.046 1
1 511 . 14 1 1 A 46 46 ASP C C 46 176.800 177.807 -1.007 1
1 512 . 14 1 1 A 46 46 ASP CA C 46 56.900 57.696 -0.796 1
1 513 . 14 1 1 A 46 46 ASP CB C 46 40.400 41.143 -0.743 1
1 514 . 14 1 1 A 46 46 ASP N N 46 117.400 120.916 -3.516 1
1 515 . 14 1 1 A 47 47 GLU H H 47 7.530 7.765 -0.235 1
1 516 . 14 1 1 A 47 47 GLU HA H 47 4.580 4.403 0.177 1
1 521 . 14 1 1 A 47 47 GLU C C 47 175.500 175.116 0.384 1
1 522 . 14 1 1 A 47 47 GLU CA C 47 55.300 56.667 -1.367 1
1 523 . 14 1 1 A 47 47 GLU CB C 47 30.800 30.391 0.409 1
1 525 . 14 1 1 A 47 47 GLU N N 47 114.500 116.481 -1.981 1
1 526 . 14 1 1 A 48 48 THR H H 48 7.230 7.483 -0.253 1
1 527 . 14 1 1 A 48 48 THR HA H 48 4.700 4.632 0.068 1
1 532 . 14 1 1 A 48 48 THR CA C 48 60.800 59.264 1.536 1
1 533 . 14 1 1 A 48 48 THR CB C 48 70.100 69.719 0.381 1
1 534 . 14 1 1 A 48 48 THR N N 48 119.900 115.864 4.036 1
1 535 . 14 1 1 A 49 49 PRO HA H 49 4.890 4.610 0.280 1
1 542 . 14 1 1 A 49 49 PRO C C 49 175.400 175.406 -0.006 1
1 543 . 14 1 1 A 49 49 PRO CA C 49 62.100 62.381 -0.281 1
1 544 . 14 1 1 A 49 49 PRO CB C 49 32.900 32.728 0.172 1
1 547 . 14 1 1 A 50 50 VAL H H 50 6.960 8.800 -1.840 1
1 548 . 14 1 1 A 50 50 VAL HA H 50 4.030 4.784 -0.754 1
1 556 . 14 1 1 A 50 50 VAL C C 50 173.800 174.735 -0.935 1
1 557 . 14 1 1 A 50 50 VAL CA C 50 61.400 60.403 0.997 1
1 558 . 14 1 1 A 50 50 VAL CB C 50 33.900 34.145 -0.245 1
1 561 . 14 1 1 A 50 50 VAL N N 50 119.400 120.599 -1.199 1
1 562 . 14 1 1 A 51 51 THR H H 51 8.940 9.161 -0.221 1
1 563 . 14 1 1 A 51 51 THR HA H 51 4.460 4.774 -0.314 1
1 568 . 14 1 1 A 51 51 THR C C 51 172.300 174.139 -1.839 1
1 569 . 14 1 1 A 51 51 THR CA C 51 60.600 61.115 -0.515 1
1 570 . 14 1 1 A 51 51 THR CB C 51 71.000 70.908 0.092 1
1 571 . 14 1 1 A 51 51 THR N N 51 122.600 124.167 -1.567 1
1 572 . 14 1 1 A 52 52 ALA H H 52 8.150 8.572 -0.422 1
1 573 . 14 1 1 A 52 52 ALA HA H 52 3.940 3.948 -0.008 1
1 577 . 14 1 1 A 52 52 ALA C C 52 179.100 178.185 0.915 1
1 578 . 14 1 1 A 52 52 ALA CA C 52 53.700 54.001 -0.301 1
1 579 . 14 1 1 A 52 52 ALA CB C 52 18.200 18.430 -0.230 1
1 580 . 14 1 1 A 52 52 ALA N N 52 125.400 129.059 -3.659 1
1 581 . 14 1 1 A 53 53 GLY H H 53 9.160 8.821 0.339 1
1 582 . 14 1 1 A 53 53 GLY HA2 H 53 3.670 4.020 -0.350 1
1 583 . 14 1 1 A 53 53 GLY HA3 H 53 4.310 4.021 0.289 1
1 584 . 14 1 1 A 53 53 GLY C C 53 174.900 174.412 0.488 1
1 585 . 14 1 1 A 53 53 GLY CA C 53 44.700 45.082 -0.382 1
1 586 . 14 1 1 A 53 53 GLY N N 53 111.000 111.283 -0.283 1
1 587 . 14 1 1 A 54 54 ASP H H 54 8.180 8.198 -0.018 1
1 588 . 14 1 1 A 54 54 ASP HA H 54 4.700 4.643 0.057 1
1 591 . 14 1 1 A 54 54 ASP C C 54 174.600 175.733 -1.133 1
1 592 . 14 1 1 A 54 54 ASP CA C 54 56.100 55.171 0.929 1
1 593 . 14 1 1 A 54 54 ASP CB C 54 41.800 41.812 -0.012 1
1 594 . 14 1 1 A 54 54 ASP N N 54 122.700 122.063 0.637 1
1 595 . 14 1 1 A 55 55 GLU H H 55 8.160 8.667 -0.507 1
1 596 . 14 1 1 A 55 55 GLU HA H 55 4.730 4.677 0.053 1
1 601 . 14 1 1 A 55 55 GLU C C 55 175.000 175.586 -0.586 1
1 602 . 14 1 1 A 55 55 GLU CA C 55 55.100 56.221 -1.121 1
1 603 . 14 1 1 A 55 55 GLU CB C 55 30.500 30.489 0.011 1
1 605 . 14 1 1 A 55 55 GLU N N 55 118.800 121.376 -2.576 1
1 606 . 14 1 1 A 56 56 ILE H H 56 9.320 8.822 0.498 1
1 607 . 14 1 1 A 56 56 ILE HA H 56 4.950 5.048 -0.098 1
1 617 . 14 1 1 A 56 56 ILE C C 56 175.100 174.976 0.124 1
1 618 . 14 1 1 A 56 56 ILE CA C 56 59.800 60.088 -0.288 1
1 619 . 14 1 1 A 56 56 ILE CB C 56 40.200 40.758 -0.558 1
1 623 . 14 1 1 A 56 56 ILE N N 56 127.400 125.887 1.513 1
1 624 . 14 1 1 A 57 57 GLU H H 57 9.170 8.680 0.490 1
1 625 . 14 1 1 A 57 57 GLU HA H 57 5.000 5.121 -0.121 1
1 630 . 14 1 1 A 57 57 GLU C C 57 174.100 175.047 -0.947 1
1 631 . 14 1 1 A 57 57 GLU CA C 57 54.400 54.468 -0.068 1
1 632 . 14 1 1 A 57 57 GLU CB C 57 32.900 33.374 -0.474 1
1 634 . 14 1 1 A 57 57 GLU N N 57 129.600 125.925 3.675 1
1 635 . 14 1 1 A 58 58 ILE H H 58 9.500 8.988 0.512 1
1 636 . 14 1 1 A 58 58 ILE HA H 58 4.610 4.805 -0.195 1
1 646 . 14 1 1 A 58 58 ILE C C 58 175.900 175.562 0.338 1
1 647 . 14 1 1 A 58 58 ILE CA C 58 59.900 59.548 0.352 1
1 648 . 14 1 1 A 58 58 ILE CB C 58 37.800 39.535 -1.735 1
1 652 . 14 1 1 A 58 58 ILE N N 58 126.500 124.298 2.202 1
1 653 . 14 1 1 A 59 59 LEU H H 59 9.150 8.651 0.499 1
1 654 . 14 1 1 A 59 59 LEU HA H 59 4.840 4.469 0.371 1
1 663 . 14 1 1 A 59 59 LEU C C 59 175.800 176.396 -0.596 1
1 664 . 14 1 1 A 59 59 LEU CA C 59 53.800 54.837 -1.037 1
1 665 . 14 1 1 A 59 59 LEU CB C 59 44.300 42.593 1.707 1
1 668 . 14 1 1 A 59 59 LEU N N 59 129.800 128.396 1.404 1
1 669 . 14 1 1 A 60 60 THR H H 60 8.470 8.799 -0.329 1
1 673 . 14 1 1 A 60 60 THR CA C 60 58.200 58.387 -0.187 1
1 674 . 14 1 1 A 60 60 THR CB C 60 69.900 69.229 0.671 1
1 676 . 14 1 1 A 60 60 THR N N 60 114.300 115.384 -1.084 1
1 677 . 14 1 1 A 61 61 PRO HA H 61 4.400 4.554 -0.154 1
1 680 . 14 1 1 A 61 61 PRO CA C 61 63.200 62.727 0.473 1
1 681 . 14 1 1 A 61 61 PRO CB C 61 32.100 31.974 0.126 1
1 682 . 14 1 1 A 62 62 ARG HA H 62 4.260 4.098 0.162 1
1 689 . 14 1 1 A 62 62 ARG C C 62 176.500 176.484 0.016 1
1 690 . 14 1 1 A 62 62 ARG CA C 62 56.500 56.736 -0.236 1
1 691 . 14 1 1 A 62 62 ARG CB C 62 30.500 30.867 -0.367 1
1 694 . 14 1 1 A 63 63 GLN H H 63 8.500 8.878 -0.378 1
1 695 . 14 1 1 A 63 63 GLN HA H 63 4.250 3.974 0.276 1
1 702 . 14 1 1 A 63 63 GLN C C 63 176.400 175.868 0.532 1
1 703 . 14 1 1 A 63 63 GLN CA C 63 56.000 56.899 -0.899 1
1 704 . 14 1 1 A 63 63 GLN CB C 63 29.200 27.203 1.997 1
1 706 . 14 1 1 A 63 63 GLN N N 63 121.700 117.792 3.908 1
1 708 . 14 1 1 A 64 64 GLY H H 64 8.330 8.041 0.289 1
1 709 . 14 1 1 A 64 64 GLY HA2 H 64 3.940 4.188 -0.248 1
1 710 . 14 1 1 A 64 64 GLY HA3 H 64 3.940 4.209 -0.269 1
1 711 . 14 1 1 A 64 64 GLY C C 64 174.500 173.896 0.604 1
1 712 . 14 1 1 A 64 64 GLY CA C 64 45.300 46.176 -0.876 1
1 713 . 14 1 1 A 64 64 GLY N N 64 110.100 107.874 2.226 1
1 714 . 14 1 1 A 65 65 GLY H H 65 8.260 8.113 0.147 1
1 715 . 14 1 1 A 65 65 GLY HA2 H 65 3.940 3.985 -0.045 1
1 716 . 14 1 1 A 65 65 GLY HA3 H 65 3.940 3.998 -0.058 1
1 717 . 14 1 1 A 65 65 GLY C C 65 174.200 175.100 -0.900 1
1 718 . 14 1 1 A 65 65 GLY CA C 65 45.200 45.169 0.031 1
1 719 . 14 1 1 A 65 65 GLY N N 65 108.500 110.883 -2.383 1
1 720 . 14 1 1 A 66 66 LEU H H 66 8.200 9.009 -0.809 1
1 721 . 14 1 1 A 66 66 LEU HA H 66 4.250 3.983 0.267 1
1 730 . 14 1 1 A 66 66 LEU C C 66 177.400 174.851 2.549 1
1 731 . 14 1 1 A 66 66 LEU CA C 66 55.200 55.653 -0.453 1
1 732 . 14 1 1 A 66 66 LEU CB C 66 42.300 40.917 1.383 1
1 736 . 14 1 1 A 66 66 LEU N N 66 121.200 122.972 -1.772 1
1 737 . 14 1 1 A 67 67 GLU H H 67 8.460 8.414 0.046 1
1 738 . 14 1 1 A 67 67 GLU HA H 67 4.170 4.576 -0.406 1
1 743 . 14 1 1 A 67 67 GLU CA C 67 56.500 56.154 0.346 1
1 744 . 14 1 1 A 67 67 GLU CB C 67 30.000 31.896 -1.896 1
1 2 . 15 1 1 A 2 2 LEU H H 2 8.810 7.515 1.295 1
1 3 . 15 1 1 A 2 2 LEU HA H 2 4.930 4.235 0.695 1
1 12 . 15 1 1 A 2 2 LEU C C 2 175.900 176.739 -0.839 1
1 13 . 15 1 1 A 2 2 LEU CA C 2 55.100 54.370 0.730 1
1 14 . 15 1 1 A 2 2 LEU CB C 2 42.600 43.137 -0.537 1
1 17 . 15 1 1 A 2 2 LEU N N 2 127.000 120.396 6.604 1
1 18 . 15 1 1 A 3 3 VAL H H 3 8.670 9.165 -0.495 1
1 19 . 15 1 1 A 3 3 VAL HA H 3 4.580 4.823 -0.243 1
1 27 . 15 1 1 A 3 3 VAL C C 3 174.000 174.432 -0.432 1
1 28 . 15 1 1 A 3 3 VAL CA C 3 59.400 59.716 -0.316 1
1 29 . 15 1 1 A 3 3 VAL CB C 3 35.500 34.313 1.187 1
1 32 . 15 1 1 A 3 3 VAL N N 3 119.900 119.450 0.450 1
1 33 . 15 1 1 A 4 4 THR H H 4 8.310 8.833 -0.523 1
1 34 . 15 1 1 A 4 4 THR HA H 4 4.850 4.944 -0.094 1
1 39 . 15 1 1 A 4 4 THR C C 4 173.600 173.969 -0.369 1
1 40 . 15 1 1 A 4 4 THR CA C 4 61.700 62.149 -0.449 1
1 41 . 15 1 1 A 4 4 THR CB C 4 69.500 69.179 0.321 1
1 43 . 15 1 1 A 4 4 THR N N 4 116.000 120.600 -4.600 1
1 44 . 15 1 1 A 5 5 ILE H H 5 9.060 9.267 -0.207 1
1 45 . 15 1 1 A 5 5 ILE HA H 5 4.830 4.784 0.046 1
1 55 . 15 1 1 A 5 5 ILE C C 5 176.100 175.899 0.201 1
1 56 . 15 1 1 A 5 5 ILE CA C 5 59.400 60.168 -0.768 1
1 57 . 15 1 1 A 5 5 ILE CB C 5 39.300 38.824 0.476 1
1 61 . 15 1 1 A 5 5 ILE N N 5 125.000 127.256 -2.256 1
1 62 . 15 1 1 A 6 6 ASN H H 6 9.480 9.148 0.332 1
1 63 . 15 1 1 A 6 6 ASN HA H 6 4.510 4.428 0.082 1
1 68 . 15 1 1 A 6 6 ASN C C 6 175.700 175.559 0.141 1
1 69 . 15 1 1 A 6 6 ASN CA C 6 54.100 54.667 -0.567 1
1 70 . 15 1 1 A 6 6 ASN CB C 6 36.100 37.248 -1.148 1
1 71 . 15 1 1 A 6 6 ASN N N 6 129.500 128.113 1.387 1
1 73 . 15 1 1 A 7 7 GLY H H 7 8.860 8.606 0.254 1
1 74 . 15 1 1 A 7 7 GLY HA2 H 7 3.560 3.854 -0.294 1
1 75 . 15 1 1 A 7 7 GLY HA3 H 7 4.180 3.856 0.324 1
1 76 . 15 1 1 A 7 7 GLY C C 7 173.500 173.864 -0.364 1
1 77 . 15 1 1 A 7 7 GLY CA C 7 45.300 45.497 -0.197 1
1 78 . 15 1 1 A 7 7 GLY N N 7 102.200 103.767 -1.567 1
1 79 . 15 1 1 A 8 8 GLU H H 8 7.790 7.818 -0.028 1
1 80 . 15 1 1 A 8 8 GLU HA H 8 4.690 4.720 -0.030 1
1 85 . 15 1 1 A 8 8 GLU C C 8 175.300 175.076 0.224 1
1 86 . 15 1 1 A 8 8 GLU CA C 8 54.200 54.815 -0.615 1
1 87 . 15 1 1 A 8 8 GLU CB C 8 32.300 32.218 0.082 1
1 89 . 15 1 1 A 8 8 GLU N N 8 120.900 120.154 0.746 1
1 90 . 15 1 1 A 9 9 GLN H H 9 8.940 8.583 0.357 1
1 91 . 15 1 1 A 9 9 GLN HA H 9 4.770 4.652 0.118 1
1 96 . 15 1 1 A 9 9 GLN C C 9 176.000 175.239 0.761 1
1 97 . 15 1 1 A 9 9 GLN CA C 9 56.900 55.925 0.975 1
1 98 . 15 1 1 A 9 9 GLN CB C 9 29.300 29.097 0.203 1
1 100 . 15 1 1 A 9 9 GLN N N 9 125.800 125.969 -0.169 1
1 101 . 15 1 1 A 10 10 ARG H H 10 9.230 8.536 0.694 1
1 102 . 15 1 1 A 10 10 ARG HA H 10 4.580 4.772 -0.192 1
1 110 . 15 1 1 A 10 10 ARG C C 10 173.300 173.814 -0.514 1
1 111 . 15 1 1 A 10 10 ARG CA C 10 54.400 54.961 -0.561 1
1 112 . 15 1 1 A 10 10 ARG CB C 10 34.400 34.458 -0.058 1
1 115 . 15 1 1 A 10 10 ARG N N 10 125.200 123.909 1.291 1
1 117 . 15 1 1 A 11 11 GLU H H 11 8.380 8.784 -0.404 1
1 118 . 15 1 1 A 11 11 GLU HA H 11 4.860 4.935 -0.075 1
1 123 . 15 1 1 A 11 11 GLU C C 11 176.900 175.774 1.126 1
1 124 . 15 1 1 A 11 11 GLU CA C 11 54.800 55.472 -0.672 1
1 125 . 15 1 1 A 11 11 GLU CB C 11 30.000 31.685 -1.685 1
1 127 . 15 1 1 A 11 11 GLU N N 11 123.300 125.715 -2.415 1
1 128 . 15 1 1 A 12 12 VAL H H 12 9.070 8.919 0.151 1
1 129 . 15 1 1 A 12 12 VAL HA H 12 4.870 4.733 0.137 1
1 137 . 15 1 1 A 12 12 VAL C C 12 175.200 175.433 -0.233 1
1 138 . 15 1 1 A 12 12 VAL CA C 12 58.600 59.745 -1.145 1
1 139 . 15 1 1 A 12 12 VAL CB C 12 34.400 34.911 -0.511 1
1 142 . 15 1 1 A 12 12 VAL N N 12 119.600 121.224 -1.624 1
1 143 . 15 1 1 A 13 13 GLN H H 13 10.260 8.669 1.591 1
1 144 . 15 1 1 A 13 13 GLN HA H 13 4.550 4.407 0.143 1
1 149 . 15 1 1 A 13 13 GLN C C 13 177.700 175.419 2.281 1
1 150 . 15 1 1 A 13 13 GLN CA C 13 55.200 56.659 -1.459 1
1 151 . 15 1 1 A 13 13 GLN CB C 13 30.000 29.026 0.974 1
1 152 . 15 1 1 A 13 13 GLN N N 13 120.900 123.614 -2.714 1
1 153 . 15 1 1 A 14 14 SER H H 14 8.190 7.603 0.587 1
1 154 . 15 1 1 A 14 14 SER HA H 14 4.100 4.392 -0.292 1
1 157 . 15 1 1 A 14 14 SER C C 14 171.700 175.717 -4.017 1
1 158 . 15 1 1 A 14 14 SER CA C 14 61.000 58.443 2.557 1
1 159 . 15 1 1 A 14 14 SER CB C 14 65.300 64.229 1.071 1
1 160 . 15 1 1 A 14 14 SER N N 14 118.500 117.133 1.367 1
1 161 . 15 1 1 A 15 15 ALA H H 15 8.320 8.710 -0.390 1
1 162 . 15 1 1 A 15 15 ALA HA H 15 4.610 4.470 0.140 1
1 166 . 15 1 1 A 15 15 ALA C C 15 177.900 176.843 1.057 1
1 167 . 15 1 1 A 15 15 ALA CA C 15 51.200 52.105 -0.905 1
1 168 . 15 1 1 A 15 15 ALA CB C 15 20.100 20.003 0.097 1
1 169 . 15 1 1 A 15 15 ALA N N 15 118.500 126.974 -8.474 1
1 170 . 15 1 1 A 16 16 SER H H 16 7.480 7.440 0.040 1
1 171 . 15 1 1 A 16 16 SER HA H 16 5.390 4.710 0.680 1
1 174 . 15 1 1 A 16 16 SER C C 16 174.600 173.793 0.807 1
1 175 . 15 1 1 A 16 16 SER CA C 16 55.600 56.699 -1.099 1
1 176 . 15 1 1 A 16 16 SER CB C 16 67.400 65.474 1.926 1
1 177 . 15 1 1 A 16 16 SER N N 16 112.400 112.114 0.286 1
1 178 . 15 1 1 A 17 17 VAL H H 17 8.810 8.552 0.258 1
1 179 . 15 1 1 A 17 17 VAL HA H 17 3.120 3.513 -0.393 1
1 187 . 15 1 1 A 17 17 VAL C C 17 176.500 177.277 -0.777 1
1 188 . 15 1 1 A 17 17 VAL CA C 17 66.900 66.244 0.656 1
1 189 . 15 1 1 A 17 17 VAL CB C 17 31.300 31.518 -0.218 1
1 192 . 15 1 1 A 17 17 VAL N N 17 122.400 126.145 -3.745 1
1 193 . 15 1 1 A 18 18 ALA H H 18 7.460 8.688 -1.228 1
1 194 . 15 1 1 A 18 18 ALA HA H 18 4.000 4.043 -0.043 1
1 198 . 15 1 1 A 18 18 ALA C C 18 179.600 179.428 0.172 1
1 199 . 15 1 1 A 18 18 ALA CA C 18 55.300 55.819 -0.519 1
1 200 . 15 1 1 A 18 18 ALA CB C 18 18.800 18.040 0.760 1
1 201 . 15 1 1 A 18 18 ALA N N 18 119.300 122.065 -2.765 1
1 202 . 15 1 1 A 19 19 ALA H H 19 7.620 7.855 -0.235 1
1 203 . 15 1 1 A 19 19 ALA HA H 19 4.130 4.148 -0.018 1
1 207 . 15 1 1 A 19 19 ALA C C 19 179.500 180.145 -0.645 1
1 208 . 15 1 1 A 19 19 ALA CA C 19 55.000 55.033 -0.033 1
1 209 . 15 1 1 A 19 19 ALA CB C 19 17.400 17.667 -0.267 1
1 210 . 15 1 1 A 19 19 ALA N N 19 120.000 120.899 -0.899 1
1 211 . 15 1 1 A 20 20 LEU H H 20 8.260 8.130 0.130 1
1 212 . 15 1 1 A 20 20 LEU HA H 20 4.120 4.076 0.044 1
1 221 . 15 1 1 A 20 20 LEU C C 20 177.700 178.820 -1.120 1
1 222 . 15 1 1 A 20 20 LEU CA C 20 57.500 57.825 -0.325 1
1 223 . 15 1 1 A 20 20 LEU CB C 20 42.000 41.547 0.453 1
1 226 . 15 1 1 A 20 20 LEU N N 20 121.900 120.024 1.876 1
1 227 . 15 1 1 A 21 21 MET H H 21 8.020 8.107 -0.087 1
1 228 . 15 1 1 A 21 21 MET HA H 21 4.130 4.131 -0.001 1
1 230 . 15 1 1 A 21 21 MET C C 21 179.300 179.069 0.231 1
1 231 . 15 1 1 A 21 21 MET CA C 21 57.000 58.811 -1.811 1
1 232 . 15 1 1 A 21 21 MET CB C 21 30.300 32.998 -2.698 1
1 233 . 15 1 1 A 21 21 MET N N 21 115.800 117.188 -1.388 1
1 234 . 15 1 1 A 22 22 THR H H 22 7.380 7.911 -0.531 1
1 235 . 15 1 1 A 22 22 THR HA H 22 3.950 3.857 0.093 1
1 240 . 15 1 1 A 22 22 THR C C 22 177.300 176.149 1.151 1
1 241 . 15 1 1 A 22 22 THR CA C 22 66.600 67.338 -0.738 1
1 242 . 15 1 1 A 22 22 THR CB C 22 68.200 68.520 -0.320 1
1 244 . 15 1 1 A 22 22 THR N N 22 116.500 115.923 0.577 1
1 245 . 15 1 1 A 23 23 GLU H H 23 8.650 7.987 0.663 1
1 246 . 15 1 1 A 23 23 GLU HA H 23 3.960 4.080 -0.120 1
1 251 . 15 1 1 A 23 23 GLU C C 23 177.900 178.039 -0.139 1
1 252 . 15 1 1 A 23 23 GLU CA C 23 59.500 58.644 0.856 1
1 253 . 15 1 1 A 23 23 GLU CB C 23 29.600 29.661 -0.061 1
1 255 . 15 1 1 A 23 23 GLU N N 23 128.000 120.938 7.062 1
1 256 . 15 1 1 A 24 24 LEU H H 24 8.140 7.667 0.473 1
1 257 . 15 1 1 A 24 24 LEU HA H 24 4.200 4.357 -0.157 1
1 266 . 15 1 1 A 24 24 LEU C C 24 175.800 175.897 -0.097 1
1 267 . 15 1 1 A 24 24 LEU CA C 24 54.200 54.424 -0.224 1
1 268 . 15 1 1 A 24 24 LEU CB C 24 41.900 41.853 0.047 1
1 271 . 15 1 1 A 24 24 LEU N N 24 115.900 118.342 -2.442 1
1 272 . 15 1 1 A 25 25 ASP H H 25 7.980 8.040 -0.060 1
1 273 . 15 1 1 A 25 25 ASP HA H 25 4.440 4.316 0.124 1
1 276 . 15 1 1 A 25 25 ASP C C 25 175.800 176.442 -0.642 1
1 277 . 15 1 1 A 25 25 ASP CA C 25 55.200 54.992 0.208 1
1 278 . 15 1 1 A 25 25 ASP CB C 25 39.400 38.533 0.867 1
1 279 . 15 1 1 A 25 25 ASP N N 25 118.400 118.126 0.274 1
1 280 . 15 1 1 A 26 26 CYS H H 26 8.510 8.195 0.315 1
1 281 . 15 1 1 A 26 26 CYS HA H 26 4.460 4.742 -0.282 1
1 284 . 15 1 1 A 26 26 CYS C C 26 174.300 174.872 -0.572 1
1 285 . 15 1 1 A 26 26 CYS CA C 26 58.500 58.450 0.050 1
1 286 . 15 1 1 A 26 26 CYS CB C 26 27.100 27.697 -0.597 1
1 287 . 15 1 1 A 26 26 CYS N N 26 117.000 117.902 -0.902 1
1 288 . 15 1 1 A 27 27 THR H H 27 7.810 7.668 0.142 1
1 289 . 15 1 1 A 27 27 THR HA H 27 4.450 4.305 0.145 1
1 291 . 15 1 1 A 27 27 THR CA C 27 62.200 64.486 -2.286 1
1 292 . 15 1 1 A 27 27 THR CB C 27 69.400 68.947 0.453 1
1 293 . 15 1 1 A 27 27 THR N N 27 107.800 116.073 -8.273 1
1 294 . 15 1 1 A 29 29 GLY H H 29 8.440 7.650 0.790 1
1 295 . 15 1 1 A 29 29 GLY HA2 H 29 3.890 3.828 0.062 1
1 296 . 15 1 1 A 29 29 GLY HA3 H 29 3.970 4.023 -0.053 1
1 297 . 15 1 1 A 29 29 GLY C C 29 173.800 174.233 -0.433 1
1 298 . 15 1 1 A 29 29 GLY CA C 29 45.800 45.245 0.555 1
1 299 . 15 1 1 A 29 29 GLY N N 29 108.100 107.797 0.303 1
1 300 . 15 1 1 A 30 30 HIS H H 30 8.210 8.079 0.131 1
1 301 . 15 1 1 A 30 30 HIS HA H 30 4.650 4.598 0.052 1
1 305 . 15 1 1 A 30 30 HIS C C 30 173.500 174.750 -1.250 1
1 306 . 15 1 1 A 30 30 HIS CA C 30 55.600 55.365 0.235 1
1 307 . 15 1 1 A 30 30 HIS CB C 30 28.700 29.345 -0.645 1
1 309 . 15 1 1 A 30 30 HIS N N 30 117.300 120.537 -3.237 1
1 310 . 15 1 1 A 31 31 PHE H H 31 7.520 7.522 -0.002 1
1 311 . 15 1 1 A 31 31 PHE HA H 31 5.050 4.793 0.257 1
1 316 . 15 1 1 A 31 31 PHE C C 31 175.200 175.474 -0.274 1
1 317 . 15 1 1 A 31 31 PHE CA C 31 58.000 57.977 0.023 1
1 318 . 15 1 1 A 31 31 PHE CB C 31 41.200 40.572 0.628 1
1 321 . 15 1 1 A 31 31 PHE N N 31 117.000 119.118 -2.118 1
1 322 . 15 1 1 A 32 32 ALA H H 32 9.010 8.548 0.462 1
1 323 . 15 1 1 A 32 32 ALA HA H 32 5.010 5.639 -0.629 1
1 327 . 15 1 1 A 32 32 ALA C C 32 174.800 176.454 -1.654 1
1 328 . 15 1 1 A 32 32 ALA CA C 32 50.400 50.336 0.064 1
1 329 . 15 1 1 A 32 32 ALA CB C 32 22.500 23.000 -0.500 1
1 330 . 15 1 1 A 32 32 ALA N N 32 123.800 121.825 1.975 1
1 331 . 15 1 1 A 33 33 VAL H H 33 9.350 8.887 0.463 1
1 332 . 15 1 1 A 33 33 VAL HA H 33 5.130 5.006 0.124 1
1 340 . 15 1 1 A 33 33 VAL C C 33 172.400 174.076 -1.676 1
1 341 . 15 1 1 A 33 33 VAL CA C 33 59.700 59.060 0.640 1
1 342 . 15 1 1 A 33 33 VAL CB C 33 35.000 35.611 -0.611 1
1 345 . 15 1 1 A 33 33 VAL N N 33 120.200 112.258 7.942 1
1 346 . 15 1 1 A 34 34 ALA H H 34 9.100 8.922 0.178 1
1 347 . 15 1 1 A 34 34 ALA HA H 34 5.130 5.504 -0.374 1
1 351 . 15 1 1 A 34 34 ALA C C 34 174.900 174.933 -0.033 1
1 352 . 15 1 1 A 34 34 ALA CA C 34 49.600 50.293 -0.693 1
1 353 . 15 1 1 A 34 34 ALA CB C 34 21.200 21.831 -0.631 1
1 354 . 15 1 1 A 34 34 ALA N N 34 127.800 124.017 3.783 1
1 355 . 15 1 1 A 35 35 LEU H H 35 8.680 8.995 -0.315 1
1 356 . 15 1 1 A 35 35 LEU HA H 35 4.750 4.707 0.043 1
1 366 . 15 1 1 A 35 35 LEU C C 35 175.700 175.738 -0.038 1
1 367 . 15 1 1 A 35 35 LEU CA C 35 53.200 53.680 -0.480 1
1 368 . 15 1 1 A 35 35 LEU CB C 35 45.600 44.722 0.878 1
1 372 . 15 1 1 A 35 35 LEU N N 35 125.000 124.907 0.093 1
1 373 . 15 1 1 A 36 36 ASN H H 36 9.960 8.856 1.104 1
1 374 . 15 1 1 A 36 36 ASN HA H 36 3.890 4.448 -0.558 1
1 379 . 15 1 1 A 36 36 ASN C C 36 174.500 174.427 0.073 1
1 380 . 15 1 1 A 36 36 ASN CA C 36 54.900 54.664 0.236 1
1 381 . 15 1 1 A 36 36 ASN CB C 36 36.800 37.006 -0.206 1
1 382 . 15 1 1 A 36 36 ASN N N 36 127.300 125.667 1.633 1
1 384 . 15 1 1 A 37 37 TYR H H 37 8.750 8.079 0.671 1
1 385 . 15 1 1 A 37 37 TYR HA H 37 3.720 4.155 -0.435 1
1 392 . 15 1 1 A 37 37 TYR C C 37 174.100 173.858 0.242 1
1 393 . 15 1 1 A 37 37 TYR CA C 37 59.900 58.557 1.343 1
1 394 . 15 1 1 A 37 37 TYR CB C 37 35.300 35.721 -0.421 1
1 399 . 15 1 1 A 37 37 TYR N N 37 107.500 110.486 -2.986 1
1 400 . 15 1 1 A 38 38 ASP H H 38 7.590 7.814 -0.224 1
1 401 . 15 1 1 A 38 38 ASP HA H 38 5.090 4.953 0.137 1
1 404 . 15 1 1 A 38 38 ASP C C 38 175.400 174.541 0.859 1
1 405 . 15 1 1 A 38 38 ASP CA C 38 53.100 53.885 -0.785 1
1 406 . 15 1 1 A 38 38 ASP CB C 38 42.900 44.805 -1.905 1
1 407 . 15 1 1 A 38 38 ASP N N 38 119.900 118.362 1.538 1
1 408 . 15 1 1 A 39 39 VAL H H 39 8.590 8.706 -0.116 1
1 409 . 15 1 1 A 39 39 VAL HA H 39 4.220 4.444 -0.224 1
1 417 . 15 1 1 A 39 39 VAL C C 39 176.600 175.386 1.214 1
1 418 . 15 1 1 A 39 39 VAL CA C 39 63.600 62.989 0.611 1
1 419 . 15 1 1 A 39 39 VAL CB C 39 31.700 31.971 -0.271 1
1 422 . 15 1 1 A 39 39 VAL N N 39 124.300 125.596 -1.296 1
1 423 . 15 1 1 A 40 40 VAL H H 40 8.970 8.469 0.501 1
1 424 . 15 1 1 A 40 40 VAL HA H 40 4.600 4.606 -0.006 1
1 432 . 15 1 1 A 40 40 VAL CA C 40 59.100 59.138 -0.038 1
1 433 . 15 1 1 A 40 40 VAL CB C 40 32.500 32.952 -0.452 1
1 436 . 15 1 1 A 40 40 VAL N N 40 130.800 127.534 3.266 1
1 437 . 15 1 1 A 41 41 PRO HA H 41 4.580 4.543 0.037 1
1 444 . 15 1 1 A 41 41 PRO C C 41 177.700 177.424 0.276 1
1 445 . 15 1 1 A 41 41 PRO CA C 41 62.800 62.980 -0.180 1
1 446 . 15 1 1 A 41 41 PRO CB C 41 32.300 32.715 -0.415 1
1 449 . 15 1 1 A 42 42 ARG H H 42 8.640 8.455 0.185 1
1 450 . 15 1 1 A 42 42 ARG HA H 42 1.890 2.591 -0.701 1
1 458 . 15 1 1 A 42 42 ARG C C 42 178.800 176.905 1.895 1
1 459 . 15 1 1 A 42 42 ARG CA C 42 58.100 58.081 0.019 1
1 460 . 15 1 1 A 42 42 ARG CB C 42 29.600 29.310 0.290 1
1 462 . 15 1 1 A 42 42 ARG N N 42 124.000 122.266 1.734 1
1 464 . 15 1 1 A 43 43 GLY H H 43 8.690 7.920 0.770 1
1 465 . 15 1 1 A 43 43 GLY HA2 H 43 3.770 3.814 -0.044 1
1 466 . 15 1 1 A 43 43 GLY HA3 H 43 3.870 3.863 0.007 1
1 467 . 15 1 1 A 43 43 GLY C C 43 174.600 174.744 -0.144 1
1 468 . 15 1 1 A 43 43 GLY CA C 43 45.800 45.605 0.195 1
1 469 . 15 1 1 A 43 43 GLY N N 43 106.000 108.351 -2.351 1
1 470 . 15 1 1 A 44 44 LYS H H 44 8.260 7.803 0.457 1
1 471 . 15 1 1 A 44 44 LYS HA H 44 4.840 4.389 0.451 1
1 480 . 15 1 1 A 44 44 LYS C C 44 179.200 177.574 1.626 1
1 481 . 15 1 1 A 44 44 LYS CA C 44 54.500 56.387 -1.887 1
1 482 . 15 1 1 A 44 44 LYS CB C 44 32.900 32.407 0.493 1
1 486 . 15 1 1 A 44 44 LYS N N 44 115.900 119.687 -3.787 1
1 487 . 15 1 1 A 45 45 TRP H H 45 8.120 7.662 0.458 1
1 488 . 15 1 1 A 45 45 TRP HA H 45 4.350 4.399 -0.049 1
1 497 . 15 1 1 A 45 45 TRP C C 45 178.400 178.461 -0.061 1
1 498 . 15 1 1 A 45 45 TRP CA C 45 60.500 59.947 0.553 1
1 499 . 15 1 1 A 45 45 TRP CB C 45 28.500 29.252 -0.752 1
1 505 . 15 1 1 A 45 45 TRP N N 45 124.800 120.308 4.492 1
1 507 . 15 1 1 A 46 46 ASP H H 46 8.950 8.502 0.448 1
1 508 . 15 1 1 A 46 46 ASP HA H 46 4.460 4.386 0.074 1
1 511 . 15 1 1 A 46 46 ASP C C 46 176.800 177.872 -1.072 1
1 512 . 15 1 1 A 46 46 ASP CA C 46 56.900 57.742 -0.842 1
1 513 . 15 1 1 A 46 46 ASP CB C 46 40.400 41.256 -0.856 1
1 514 . 15 1 1 A 46 46 ASP N N 46 117.400 120.802 -3.402 1
1 515 . 15 1 1 A 47 47 GLU H H 47 7.530 7.784 -0.254 1
1 516 . 15 1 1 A 47 47 GLU HA H 47 4.580 4.374 0.206 1
1 521 . 15 1 1 A 47 47 GLU C C 47 175.500 175.167 0.333 1
1 522 . 15 1 1 A 47 47 GLU CA C 47 55.300 56.791 -1.491 1
1 523 . 15 1 1 A 47 47 GLU CB C 47 30.800 30.072 0.728 1
1 525 . 15 1 1 A 47 47 GLU N N 47 114.500 116.971 -2.471 1
1 526 . 15 1 1 A 48 48 THR H H 48 7.230 7.428 -0.198 1
1 527 . 15 1 1 A 48 48 THR HA H 48 4.700 4.634 0.066 1
1 532 . 15 1 1 A 48 48 THR CA C 48 60.800 59.272 1.528 1
1 533 . 15 1 1 A 48 48 THR CB C 48 70.100 69.664 0.436 1
1 534 . 15 1 1 A 48 48 THR N N 48 119.900 115.566 4.334 1
1 535 . 15 1 1 A 49 49 PRO HA H 49 4.890 4.627 0.263 1
1 542 . 15 1 1 A 49 49 PRO C C 49 175.400 175.488 -0.088 1
1 543 . 15 1 1 A 49 49 PRO CA C 49 62.100 62.357 -0.257 1
1 544 . 15 1 1 A 49 49 PRO CB C 49 32.900 32.727 0.173 1
1 547 . 15 1 1 A 50 50 VAL H H 50 6.960 9.045 -2.085 1
1 548 . 15 1 1 A 50 50 VAL HA H 50 4.030 4.771 -0.741 1
1 556 . 15 1 1 A 50 50 VAL C C 50 173.800 174.758 -0.958 1
1 557 . 15 1 1 A 50 50 VAL CA C 50 61.400 60.340 1.060 1
1 558 . 15 1 1 A 50 50 VAL CB C 50 33.900 34.557 -0.657 1
1 561 . 15 1 1 A 50 50 VAL N N 50 119.400 120.478 -1.078 1
1 562 . 15 1 1 A 51 51 THR H H 51 8.940 9.028 -0.088 1
1 563 . 15 1 1 A 51 51 THR HA H 51 4.460 4.738 -0.278 1
1 568 . 15 1 1 A 51 51 THR C C 51 172.300 174.174 -1.874 1
1 569 . 15 1 1 A 51 51 THR CA C 51 60.600 61.042 -0.442 1
1 570 . 15 1 1 A 51 51 THR CB C 51 71.000 70.953 0.047 1
1 571 . 15 1 1 A 51 51 THR N N 51 122.600 124.319 -1.719 1
1 572 . 15 1 1 A 52 52 ALA H H 52 8.150 8.555 -0.405 1
1 573 . 15 1 1 A 52 52 ALA HA H 52 3.940 3.953 -0.013 1
1 577 . 15 1 1 A 52 52 ALA C C 52 179.100 178.149 0.951 1
1 578 . 15 1 1 A 52 52 ALA CA C 52 53.700 53.968 -0.268 1
1 579 . 15 1 1 A 52 52 ALA CB C 52 18.200 18.539 -0.339 1
1 580 . 15 1 1 A 52 52 ALA N N 52 125.400 129.165 -3.765 1
1 581 . 15 1 1 A 53 53 GLY H H 53 9.160 8.765 0.395 1
1 582 . 15 1 1 A 53 53 GLY HA2 H 53 3.670 4.016 -0.346 1
1 583 . 15 1 1 A 53 53 GLY HA3 H 53 4.310 4.019 0.291 1
1 584 . 15 1 1 A 53 53 GLY C C 53 174.900 174.579 0.321 1
1 585 . 15 1 1 A 53 53 GLY CA C 53 44.700 45.115 -0.415 1
1 586 . 15 1 1 A 53 53 GLY N N 53 111.000 111.553 -0.553 1
1 587 . 15 1 1 A 54 54 ASP H H 54 8.180 8.336 -0.156 1
1 588 . 15 1 1 A 54 54 ASP HA H 54 4.700 4.629 0.071 1
1 591 . 15 1 1 A 54 54 ASP C C 54 174.600 175.539 -0.939 1
1 592 . 15 1 1 A 54 54 ASP CA C 54 56.100 55.139 0.961 1
1 593 . 15 1 1 A 54 54 ASP CB C 54 41.800 41.768 0.032 1
1 594 . 15 1 1 A 54 54 ASP N N 54 122.700 121.942 0.758 1
1 595 . 15 1 1 A 55 55 GLU H H 55 8.160 8.685 -0.525 1
1 596 . 15 1 1 A 55 55 GLU HA H 55 4.730 4.696 0.034 1
1 601 . 15 1 1 A 55 55 GLU C C 55 175.000 175.224 -0.224 1
1 602 . 15 1 1 A 55 55 GLU CA C 55 55.100 55.707 -0.607 1
1 603 . 15 1 1 A 55 55 GLU CB C 55 30.500 30.547 -0.047 1
1 605 . 15 1 1 A 55 55 GLU N N 55 118.800 123.285 -4.485 1
1 606 . 15 1 1 A 56 56 ILE H H 56 9.320 8.579 0.741 1
1 607 . 15 1 1 A 56 56 ILE HA H 56 4.950 4.988 -0.038 1
1 617 . 15 1 1 A 56 56 ILE C C 56 175.100 174.921 0.179 1
1 618 . 15 1 1 A 56 56 ILE CA C 56 59.800 59.823 -0.023 1
1 619 . 15 1 1 A 56 56 ILE CB C 56 40.200 40.566 -0.366 1
1 623 . 15 1 1 A 56 56 ILE N N 56 127.400 127.665 -0.265 1
1 624 . 15 1 1 A 57 57 GLU H H 57 9.170 8.583 0.587 1
1 625 . 15 1 1 A 57 57 GLU HA H 57 5.000 5.096 -0.096 1
1 630 . 15 1 1 A 57 57 GLU C C 57 174.100 175.048 -0.948 1
1 631 . 15 1 1 A 57 57 GLU CA C 57 54.400 54.390 0.010 1
1 632 . 15 1 1 A 57 57 GLU CB C 57 32.900 33.528 -0.628 1
1 634 . 15 1 1 A 57 57 GLU N N 57 129.600 125.367 4.233 1
1 635 . 15 1 1 A 58 58 ILE H H 58 9.500 9.320 0.180 1
1 636 . 15 1 1 A 58 58 ILE HA H 58 4.610 4.746 -0.136 1
1 646 . 15 1 1 A 58 58 ILE C C 58 175.900 174.856 1.044 1
1 647 . 15 1 1 A 58 58 ILE CA C 58 59.900 59.491 0.409 1
1 648 . 15 1 1 A 58 58 ILE CB C 58 37.800 39.210 -1.410 1
1 652 . 15 1 1 A 58 58 ILE N N 58 126.500 124.174 2.326 1
1 653 . 15 1 1 A 59 59 LEU H H 59 9.150 8.752 0.398 1
1 654 . 15 1 1 A 59 59 LEU HA H 59 4.840 5.077 -0.237 1
1 663 . 15 1 1 A 59 59 LEU C C 59 175.800 175.978 -0.178 1
1 664 . 15 1 1 A 59 59 LEU CA C 59 53.800 53.428 0.372 1
1 665 . 15 1 1 A 59 59 LEU CB C 59 44.300 42.626 1.674 1
1 668 . 15 1 1 A 59 59 LEU N N 59 129.800 128.628 1.172 1
1 669 . 15 1 1 A 60 60 THR H H 60 8.470 8.657 -0.187 1
1 673 . 15 1 1 A 60 60 THR CA C 60 58.200 59.447 -1.247 1
1 674 . 15 1 1 A 60 60 THR CB C 60 69.900 69.013 0.887 1
1 676 . 15 1 1 A 60 60 THR N N 60 114.300 119.014 -4.714 1
1 677 . 15 1 1 A 61 61 PRO HA H 61 4.400 4.659 -0.259 1
1 680 . 15 1 1 A 61 61 PRO CA C 61 63.200 62.561 0.639 1
1 681 . 15 1 1 A 61 61 PRO CB C 61 32.100 32.041 0.059 1
1 682 . 15 1 1 A 62 62 ARG HA H 62 4.260 4.383 -0.123 1
1 689 . 15 1 1 A 62 62 ARG C C 62 176.500 176.990 -0.490 1
1 690 . 15 1 1 A 62 62 ARG CA C 62 56.500 58.381 -1.881 1
1 691 . 15 1 1 A 62 62 ARG CB C 62 30.500 30.444 0.056 1
1 694 . 15 1 1 A 63 63 GLN H H 63 8.500 7.512 0.988 1
1 695 . 15 1 1 A 63 63 GLN HA H 63 4.250 4.254 -0.004 1
1 702 . 15 1 1 A 63 63 GLN C C 63 176.400 176.994 -0.594 1
1 703 . 15 1 1 A 63 63 GLN CA C 63 56.000 56.795 -0.795 1
1 704 . 15 1 1 A 63 63 GLN CB C 63 29.200 29.547 -0.347 1
1 706 . 15 1 1 A 63 63 GLN N N 63 121.700 118.548 3.152 1
1 708 . 15 1 1 A 64 64 GLY H H 64 8.330 8.967 -0.637 1
1 709 . 15 1 1 A 64 64 GLY HA2 H 64 3.940 3.922 0.018 1
1 710 . 15 1 1 A 64 64 GLY HA3 H 64 3.940 3.928 0.012 1
1 711 . 15 1 1 A 64 64 GLY C C 64 174.500 174.802 -0.302 1
1 712 . 15 1 1 A 64 64 GLY CA C 64 45.300 45.591 -0.291 1
1 713 . 15 1 1 A 64 64 GLY N N 64 110.100 111.253 -1.153 1
1 714 . 15 1 1 A 65 65 GLY H H 65 8.260 7.949 0.311 1
1 715 . 15 1 1 A 65 65 GLY HA2 H 65 3.940 4.070 -0.130 1
1 716 . 15 1 1 A 65 65 GLY HA3 H 65 3.940 4.088 -0.148 1
1 717 . 15 1 1 A 65 65 GLY C C 65 174.200 172.931 1.269 1
1 718 . 15 1 1 A 65 65 GLY CA C 65 45.200 45.199 0.001 1
1 719 . 15 1 1 A 65 65 GLY N N 65 108.500 108.138 0.362 1
1 720 . 15 1 1 A 66 66 LEU H H 66 8.200 8.711 -0.511 1
1 721 . 15 1 1 A 66 66 LEU HA H 66 4.250 4.593 -0.343 1
1 730 . 15 1 1 A 66 66 LEU C C 66 177.400 176.685 0.715 1
1 731 . 15 1 1 A 66 66 LEU CA C 66 55.200 54.110 1.090 1
1 732 . 15 1 1 A 66 66 LEU CB C 66 42.300 41.559 0.741 1
1 736 . 15 1 1 A 66 66 LEU N N 66 121.200 121.935 -0.735 1
1 737 . 15 1 1 A 67 67 GLU H H 67 8.460 8.719 -0.259 1
1 738 . 15 1 1 A 67 67 GLU HA H 67 4.170 4.437 -0.267 1
1 743 . 15 1 1 A 67 67 GLU CA C 67 56.500 55.824 0.676 1
1 744 . 15 1 1 A 67 67 GLU CB C 67 30.000 30.383 -0.383 1
1 2 . 16 1 1 A 2 2 LEU H H 2 8.810 8.005 0.805 1
1 3 . 16 1 1 A 2 2 LEU HA H 2 4.930 4.245 0.685 1
1 12 . 16 1 1 A 2 2 LEU C C 2 175.900 176.617 -0.717 1
1 13 . 16 1 1 A 2 2 LEU CA C 2 55.100 54.290 0.810 1
1 14 . 16 1 1 A 2 2 LEU CB C 2 42.600 42.788 -0.188 1
1 17 . 16 1 1 A 2 2 LEU N N 2 127.000 122.096 4.904 1
1 18 . 16 1 1 A 3 3 VAL H H 3 8.670 8.834 -0.164 1
1 19 . 16 1 1 A 3 3 VAL HA H 3 4.580 4.841 -0.261 1
1 27 . 16 1 1 A 3 3 VAL C C 3 174.000 174.547 -0.547 1
1 28 . 16 1 1 A 3 3 VAL CA C 3 59.400 59.694 -0.294 1
1 29 . 16 1 1 A 3 3 VAL CB C 3 35.500 34.403 1.097 1
1 32 . 16 1 1 A 3 3 VAL N N 3 119.900 119.992 -0.092 1
1 33 . 16 1 1 A 4 4 THR H H 4 8.310 8.879 -0.569 1
1 34 . 16 1 1 A 4 4 THR HA H 4 4.850 4.724 0.126 1
1 39 . 16 1 1 A 4 4 THR C C 4 173.600 174.074 -0.474 1
1 40 . 16 1 1 A 4 4 THR CA C 4 61.700 62.209 -0.509 1
1 41 . 16 1 1 A 4 4 THR CB C 4 69.500 69.034 0.466 1
1 43 . 16 1 1 A 4 4 THR N N 4 116.000 120.851 -4.851 1
1 44 . 16 1 1 A 5 5 ILE H H 5 9.060 9.380 -0.320 1
1 45 . 16 1 1 A 5 5 ILE HA H 5 4.830 4.810 0.020 1
1 55 . 16 1 1 A 5 5 ILE C C 5 176.100 176.385 -0.285 1
1 56 . 16 1 1 A 5 5 ILE CA C 5 59.400 60.424 -1.024 1
1 57 . 16 1 1 A 5 5 ILE CB C 5 39.300 39.565 -0.265 1
1 61 . 16 1 1 A 5 5 ILE N N 5 125.000 127.279 -2.279 1
1 62 . 16 1 1 A 6 6 ASN H H 6 9.480 9.156 0.324 1
1 63 . 16 1 1 A 6 6 ASN HA H 6 4.510 4.377 0.133 1
1 68 . 16 1 1 A 6 6 ASN C C 6 175.700 174.624 1.076 1
1 69 . 16 1 1 A 6 6 ASN CA C 6 54.100 54.248 -0.148 1
1 70 . 16 1 1 A 6 6 ASN CB C 6 36.100 37.448 -1.348 1
1 71 . 16 1 1 A 6 6 ASN N N 6 129.500 126.375 3.125 1
1 73 . 16 1 1 A 7 7 GLY H H 7 8.860 8.637 0.223 1
1 74 . 16 1 1 A 7 7 GLY HA2 H 7 3.560 3.875 -0.315 1
1 75 . 16 1 1 A 7 7 GLY HA3 H 7 4.180 3.875 0.305 1
1 76 . 16 1 1 A 7 7 GLY C C 7 173.500 174.062 -0.562 1
1 77 . 16 1 1 A 7 7 GLY CA C 7 45.300 45.482 -0.182 1
1 78 . 16 1 1 A 7 7 GLY N N 7 102.200 103.632 -1.432 1
1 79 . 16 1 1 A 8 8 GLU H H 8 7.790 7.941 -0.151 1
1 80 . 16 1 1 A 8 8 GLU HA H 8 4.690 4.755 -0.065 1
1 85 . 16 1 1 A 8 8 GLU C C 8 175.300 175.038 0.262 1
1 86 . 16 1 1 A 8 8 GLU CA C 8 54.200 54.913 -0.713 1
1 87 . 16 1 1 A 8 8 GLU CB C 8 32.300 32.738 -0.438 1
1 89 . 16 1 1 A 8 8 GLU N N 8 120.900 120.234 0.666 1
1 90 . 16 1 1 A 9 9 GLN H H 9 8.940 8.595 0.345 1
1 91 . 16 1 1 A 9 9 GLN HA H 9 4.770 4.722 0.048 1
1 96 . 16 1 1 A 9 9 GLN C C 9 176.000 175.145 0.855 1
1 97 . 16 1 1 A 9 9 GLN CA C 9 56.900 55.974 0.926 1
1 98 . 16 1 1 A 9 9 GLN CB C 9 29.300 29.132 0.168 1
1 100 . 16 1 1 A 9 9 GLN N N 9 125.800 125.235 0.565 1
1 101 . 16 1 1 A 10 10 ARG H H 10 9.230 8.567 0.663 1
1 102 . 16 1 1 A 10 10 ARG HA H 10 4.580 4.781 -0.201 1
1 110 . 16 1 1 A 10 10 ARG C C 10 173.300 173.470 -0.170 1
1 111 . 16 1 1 A 10 10 ARG CA C 10 54.400 54.959 -0.559 1
1 112 . 16 1 1 A 10 10 ARG CB C 10 34.400 34.334 0.066 1
1 115 . 16 1 1 A 10 10 ARG N N 10 125.200 123.892 1.308 1
1 117 . 16 1 1 A 11 11 GLU H H 11 8.380 8.954 -0.574 1
1 118 . 16 1 1 A 11 11 GLU HA H 11 4.860 5.068 -0.208 1
1 123 . 16 1 1 A 11 11 GLU C C 11 176.900 175.588 1.312 1
1 124 . 16 1 1 A 11 11 GLU CA C 11 54.800 55.273 -0.473 1
1 125 . 16 1 1 A 11 11 GLU CB C 11 30.000 32.166 -2.166 1
1 127 . 16 1 1 A 11 11 GLU N N 11 123.300 125.915 -2.615 1
1 128 . 16 1 1 A 12 12 VAL H H 12 9.070 8.934 0.136 1
1 129 . 16 1 1 A 12 12 VAL HA H 12 4.870 4.753 0.117 1
1 137 . 16 1 1 A 12 12 VAL C C 12 175.200 175.084 0.116 1
1 138 . 16 1 1 A 12 12 VAL CA C 12 58.600 58.891 -0.291 1
1 139 . 16 1 1 A 12 12 VAL CB C 12 34.400 35.249 -0.849 1
1 142 . 16 1 1 A 12 12 VAL N N 12 119.600 120.440 -0.840 1
1 143 . 16 1 1 A 13 13 GLN H H 13 10.260 8.665 1.595 1
1 144 . 16 1 1 A 13 13 GLN HA H 13 4.550 4.542 0.008 1
1 149 . 16 1 1 A 13 13 GLN C C 13 177.700 175.715 1.985 1
1 150 . 16 1 1 A 13 13 GLN CA C 13 55.200 55.414 -0.214 1
1 151 . 16 1 1 A 13 13 GLN CB C 13 30.000 29.788 0.212 1
1 152 . 16 1 1 A 13 13 GLN N N 13 120.900 120.543 0.357 1
1 153 . 16 1 1 A 14 14 SER H H 14 8.190 7.535 0.655 1
1 154 . 16 1 1 A 14 14 SER HA H 14 4.100 4.382 -0.282 1
1 157 . 16 1 1 A 14 14 SER C C 14 171.700 175.640 -3.940 1
1 158 . 16 1 1 A 14 14 SER CA C 14 61.000 58.507 2.493 1
1 159 . 16 1 1 A 14 14 SER CB C 14 65.300 64.004 1.296 1
1 160 . 16 1 1 A 14 14 SER N N 14 118.500 116.484 2.016 1
1 161 . 16 1 1 A 15 15 ALA H H 15 8.320 8.728 -0.408 1
1 162 . 16 1 1 A 15 15 ALA HA H 15 4.610 4.437 0.173 1
1 166 . 16 1 1 A 15 15 ALA C C 15 177.900 176.814 1.086 1
1 167 . 16 1 1 A 15 15 ALA CA C 15 51.200 52.678 -1.478 1
1 168 . 16 1 1 A 15 15 ALA CB C 15 20.100 19.857 0.243 1
1 169 . 16 1 1 A 15 15 ALA N N 15 118.500 127.357 -8.857 1
1 170 . 16 1 1 A 16 16 SER H H 16 7.480 7.211 0.269 1
1 171 . 16 1 1 A 16 16 SER HA H 16 5.390 4.690 0.700 1
1 174 . 16 1 1 A 16 16 SER C C 16 174.600 174.325 0.275 1
1 175 . 16 1 1 A 16 16 SER CA C 16 55.600 56.751 -1.151 1
1 176 . 16 1 1 A 16 16 SER CB C 16 67.400 65.631 1.769 1
1 177 . 16 1 1 A 16 16 SER N N 16 112.400 109.254 3.146 1
1 178 . 16 1 1 A 17 17 VAL H H 17 8.810 8.621 0.189 1
1 179 . 16 1 1 A 17 17 VAL HA H 17 3.120 3.545 -0.425 1
1 187 . 16 1 1 A 17 17 VAL C C 17 176.500 177.330 -0.830 1
1 188 . 16 1 1 A 17 17 VAL CA C 17 66.900 66.315 0.585 1
1 189 . 16 1 1 A 17 17 VAL CB C 17 31.300 31.585 -0.285 1
1 192 . 16 1 1 A 17 17 VAL N N 17 122.400 121.807 0.593 1
1 193 . 16 1 1 A 18 18 ALA H H 18 7.460 8.643 -1.183 1
1 194 . 16 1 1 A 18 18 ALA HA H 18 4.000 4.054 -0.054 1
1 198 . 16 1 1 A 18 18 ALA C C 18 179.600 179.474 0.126 1
1 199 . 16 1 1 A 18 18 ALA CA C 18 55.300 55.752 -0.452 1
1 200 . 16 1 1 A 18 18 ALA CB C 18 18.800 18.032 0.768 1
1 201 . 16 1 1 A 18 18 ALA N N 18 119.300 122.118 -2.818 1
1 202 . 16 1 1 A 19 19 ALA H H 19 7.620 7.445 0.175 1
1 203 . 16 1 1 A 19 19 ALA HA H 19 4.130 4.250 -0.120 1
1 207 . 16 1 1 A 19 19 ALA C C 19 179.500 180.094 -0.594 1
1 208 . 16 1 1 A 19 19 ALA CA C 19 55.000 54.951 0.049 1
1 209 . 16 1 1 A 19 19 ALA CB C 19 17.400 18.233 -0.833 1
1 210 . 16 1 1 A 19 19 ALA N N 19 120.000 120.803 -0.803 1
1 211 . 16 1 1 A 20 20 LEU H H 20 8.260 7.972 0.288 1
1 212 . 16 1 1 A 20 20 LEU HA H 20 4.120 4.039 0.081 1
1 221 . 16 1 1 A 20 20 LEU C C 20 177.700 178.881 -1.181 1
1 222 . 16 1 1 A 20 20 LEU CA C 20 57.500 57.857 -0.357 1
1 223 . 16 1 1 A 20 20 LEU CB C 20 42.000 41.599 0.401 1
1 226 . 16 1 1 A 20 20 LEU N N 20 121.900 119.877 2.023 1
1 227 . 16 1 1 A 21 21 MET H H 21 8.020 8.310 -0.290 1
1 228 . 16 1 1 A 21 21 MET HA H 21 4.130 4.018 0.112 1
1 230 . 16 1 1 A 21 21 MET C C 21 179.300 179.041 0.259 1
1 231 . 16 1 1 A 21 21 MET CA C 21 57.000 58.804 -1.804 1
1 232 . 16 1 1 A 21 21 MET CB C 21 30.300 32.756 -2.456 1
1 233 . 16 1 1 A 21 21 MET N N 21 115.800 117.025 -1.225 1
1 234 . 16 1 1 A 22 22 THR H H 22 7.380 7.896 -0.516 1
1 235 . 16 1 1 A 22 22 THR HA H 22 3.950 3.888 0.062 1
1 240 . 16 1 1 A 22 22 THR C C 22 177.300 176.655 0.645 1
1 241 . 16 1 1 A 22 22 THR CA C 22 66.600 67.174 -0.574 1
1 242 . 16 1 1 A 22 22 THR CB C 22 68.200 68.439 -0.239 1
1 244 . 16 1 1 A 22 22 THR N N 22 116.500 116.076 0.424 1
1 245 . 16 1 1 A 23 23 GLU H H 23 8.650 7.896 0.754 1
1 246 . 16 1 1 A 23 23 GLU HA H 23 3.960 4.012 -0.052 1
1 251 . 16 1 1 A 23 23 GLU C C 23 177.900 178.254 -0.354 1
1 252 . 16 1 1 A 23 23 GLU CA C 23 59.500 59.128 0.372 1
1 253 . 16 1 1 A 23 23 GLU CB C 23 29.600 29.319 0.281 1
1 255 . 16 1 1 A 23 23 GLU N N 23 128.000 120.563 7.437 1
1 256 . 16 1 1 A 24 24 LEU H H 24 8.140 7.792 0.348 1
1 257 . 16 1 1 A 24 24 LEU HA H 24 4.200 4.243 -0.043 1
1 266 . 16 1 1 A 24 24 LEU C C 24 175.800 175.671 0.129 1
1 267 . 16 1 1 A 24 24 LEU CA C 24 54.200 54.877 -0.677 1
1 268 . 16 1 1 A 24 24 LEU CB C 24 41.900 41.902 -0.002 1
1 271 . 16 1 1 A 24 24 LEU N N 24 115.900 118.092 -2.192 1
1 272 . 16 1 1 A 25 25 ASP H H 25 7.980 8.074 -0.094 1
1 273 . 16 1 1 A 25 25 ASP HA H 25 4.440 4.324 0.116 1
1 276 . 16 1 1 A 25 25 ASP C C 25 175.800 175.744 0.056 1
1 277 . 16 1 1 A 25 25 ASP CA C 25 55.200 55.398 -0.198 1
1 278 . 16 1 1 A 25 25 ASP CB C 25 39.400 38.782 0.618 1
1 279 . 16 1 1 A 25 25 ASP N N 25 118.400 115.963 2.437 1
1 280 . 16 1 1 A 26 26 CYS H H 26 8.510 7.346 1.164 1
1 281 . 16 1 1 A 26 26 CYS HA H 26 4.460 3.990 0.470 1
1 284 . 16 1 1 A 26 26 CYS C C 26 174.300 175.377 -1.077 1
1 285 . 16 1 1 A 26 26 CYS CA C 26 58.500 62.644 -4.144 1
1 286 . 16 1 1 A 26 26 CYS CB C 26 27.100 27.198 -0.098 1
1 287 . 16 1 1 A 26 26 CYS N N 26 117.000 116.266 0.734 1
1 288 . 16 1 1 A 27 27 THR H H 27 7.810 7.572 0.238 1
1 289 . 16 1 1 A 27 27 THR HA H 27 4.450 4.282 0.168 1
1 291 . 16 1 1 A 27 27 THR CA C 27 62.200 64.822 -2.622 1
1 292 . 16 1 1 A 27 27 THR CB C 27 69.400 68.839 0.561 1
1 293 . 16 1 1 A 27 27 THR N N 27 107.800 115.611 -7.811 1
1 294 . 16 1 1 A 29 29 GLY H H 29 8.440 8.237 0.203 1
1 295 . 16 1 1 A 29 29 GLY HA2 H 29 3.890 3.772 0.118 1
1 296 . 16 1 1 A 29 29 GLY HA3 H 29 3.970 3.820 0.150 1
1 297 . 16 1 1 A 29 29 GLY C C 29 173.800 174.472 -0.672 1
1 298 . 16 1 1 A 29 29 GLY CA C 29 45.800 47.051 -1.251 1
1 299 . 16 1 1 A 29 29 GLY N N 29 108.100 111.121 -3.021 1
1 300 . 16 1 1 A 30 30 HIS H H 30 8.210 7.116 1.094 1
1 301 . 16 1 1 A 30 30 HIS HA H 30 4.650 4.827 -0.177 1
1 305 . 16 1 1 A 30 30 HIS C C 30 173.500 172.754 0.746 1
1 306 . 16 1 1 A 30 30 HIS CA C 30 55.600 55.595 0.005 1
1 307 . 16 1 1 A 30 30 HIS CB C 30 28.700 32.273 -3.573 1
1 309 . 16 1 1 A 30 30 HIS N N 30 117.300 116.080 1.220 1
1 310 . 16 1 1 A 31 31 PHE H H 31 7.520 8.809 -1.289 1
1 311 . 16 1 1 A 31 31 PHE HA H 31 5.050 5.123 -0.073 1
1 316 . 16 1 1 A 31 31 PHE C C 31 175.200 174.582 0.618 1
1 317 . 16 1 1 A 31 31 PHE CA C 31 58.000 56.325 1.675 1
1 318 . 16 1 1 A 31 31 PHE CB C 31 41.200 43.588 -2.388 1
1 321 . 16 1 1 A 31 31 PHE N N 31 117.000 126.011 -9.011 1
1 322 . 16 1 1 A 32 32 ALA H H 32 9.010 8.782 0.228 1
1 323 . 16 1 1 A 32 32 ALA HA H 32 5.010 5.510 -0.500 1
1 327 . 16 1 1 A 32 32 ALA C C 32 174.800 175.971 -1.171 1
1 328 . 16 1 1 A 32 32 ALA CA C 32 50.400 50.752 -0.352 1
1 329 . 16 1 1 A 32 32 ALA CB C 32 22.500 23.788 -1.288 1
1 330 . 16 1 1 A 32 32 ALA N N 32 123.800 121.626 2.174 1
1 331 . 16 1 1 A 33 33 VAL H H 33 9.350 8.836 0.514 1
1 332 . 16 1 1 A 33 33 VAL HA H 33 5.130 5.062 0.068 1
1 340 . 16 1 1 A 33 33 VAL C C 33 172.400 174.268 -1.868 1
1 341 . 16 1 1 A 33 33 VAL CA C 33 59.700 59.145 0.555 1
1 342 . 16 1 1 A 33 33 VAL CB C 33 35.000 35.612 -0.612 1
1 345 . 16 1 1 A 33 33 VAL N N 33 120.200 113.433 6.767 1
1 346 . 16 1 1 A 34 34 ALA H H 34 9.100 8.625 0.475 1
1 347 . 16 1 1 A 34 34 ALA HA H 34 5.130 5.439 -0.309 1
1 351 . 16 1 1 A 34 34 ALA C C 34 174.900 175.200 -0.300 1
1 352 . 16 1 1 A 34 34 ALA CA C 34 49.600 50.528 -0.928 1
1 353 . 16 1 1 A 34 34 ALA CB C 34 21.200 22.578 -1.378 1
1 354 . 16 1 1 A 34 34 ALA N N 34 127.800 123.997 3.803 1
1 355 . 16 1 1 A 35 35 LEU H H 35 8.680 9.192 -0.512 1
1 356 . 16 1 1 A 35 35 LEU HA H 35 4.750 4.802 -0.052 1
1 366 . 16 1 1 A 35 35 LEU C C 35 175.700 175.756 -0.056 1
1 367 . 16 1 1 A 35 35 LEU CA C 35 53.200 53.902 -0.702 1
1 368 . 16 1 1 A 35 35 LEU CB C 35 45.600 44.683 0.917 1
1 372 . 16 1 1 A 35 35 LEU N N 35 125.000 124.471 0.529 1
1 373 . 16 1 1 A 36 36 ASN H H 36 9.960 9.026 0.934 1
1 374 . 16 1 1 A 36 36 ASN HA H 36 3.890 4.471 -0.581 1
1 379 . 16 1 1 A 36 36 ASN C C 36 174.500 175.100 -0.600 1
1 380 . 16 1 1 A 36 36 ASN CA C 36 54.900 54.718 0.182 1
1 381 . 16 1 1 A 36 36 ASN CB C 36 36.800 37.135 -0.335 1
1 382 . 16 1 1 A 36 36 ASN N N 36 127.300 126.159 1.141 1
1 384 . 16 1 1 A 37 37 TYR H H 37 8.750 8.652 0.098 1
1 385 . 16 1 1 A 37 37 TYR HA H 37 3.720 4.199 -0.479 1
1 392 . 16 1 1 A 37 37 TYR C C 37 174.100 174.307 -0.207 1
1 393 . 16 1 1 A 37 37 TYR CA C 37 59.900 58.923 0.977 1
1 394 . 16 1 1 A 37 37 TYR CB C 37 35.300 37.096 -1.796 1
1 399 . 16 1 1 A 37 37 TYR N N 37 107.500 116.162 -8.662 1
1 400 . 16 1 1 A 38 38 ASP H H 38 7.590 7.751 -0.161 1
1 401 . 16 1 1 A 38 38 ASP HA H 38 5.090 4.844 0.246 1
1 404 . 16 1 1 A 38 38 ASP C C 38 175.400 174.444 0.956 1
1 405 . 16 1 1 A 38 38 ASP CA C 38 53.100 53.530 -0.430 1
1 406 . 16 1 1 A 38 38 ASP CB C 38 42.900 44.420 -1.520 1
1 407 . 16 1 1 A 38 38 ASP N N 38 119.900 119.291 0.609 1
1 408 . 16 1 1 A 39 39 VAL H H 39 8.590 8.652 -0.062 1
1 409 . 16 1 1 A 39 39 VAL HA H 39 4.220 4.462 -0.242 1
1 417 . 16 1 1 A 39 39 VAL C C 39 176.600 175.364 1.236 1
1 418 . 16 1 1 A 39 39 VAL CA C 39 63.600 63.001 0.599 1
1 419 . 16 1 1 A 39 39 VAL CB C 39 31.700 32.101 -0.401 1
1 422 . 16 1 1 A 39 39 VAL N N 39 124.300 126.009 -1.709 1
1 423 . 16 1 1 A 40 40 VAL H H 40 8.970 8.438 0.532 1
1 424 . 16 1 1 A 40 40 VAL HA H 40 4.600 4.592 0.008 1
1 432 . 16 1 1 A 40 40 VAL CA C 40 59.100 59.230 -0.130 1
1 433 . 16 1 1 A 40 40 VAL CB C 40 32.500 32.900 -0.400 1
1 436 . 16 1 1 A 40 40 VAL N N 40 130.800 127.402 3.398 1
1 437 . 16 1 1 A 41 41 PRO HA H 41 4.580 4.532 0.048 1
1 444 . 16 1 1 A 41 41 PRO C C 41 177.700 177.358 0.342 1
1 445 . 16 1 1 A 41 41 PRO CA C 41 62.800 62.949 -0.149 1
1 446 . 16 1 1 A 41 41 PRO CB C 41 32.300 32.745 -0.445 1
1 449 . 16 1 1 A 42 42 ARG H H 42 8.640 8.405 0.235 1
1 450 . 16 1 1 A 42 42 ARG HA H 42 1.890 2.287 -0.397 1
1 458 . 16 1 1 A 42 42 ARG C C 42 178.800 176.970 1.830 1
1 459 . 16 1 1 A 42 42 ARG CA C 42 58.100 57.983 0.117 1
1 460 . 16 1 1 A 42 42 ARG CB C 42 29.600 29.269 0.331 1
1 462 . 16 1 1 A 42 42 ARG N N 42 124.000 122.177 1.823 1
1 464 . 16 1 1 A 43 43 GLY H H 43 8.690 7.929 0.761 1
1 465 . 16 1 1 A 43 43 GLY HA2 H 43 3.770 3.814 -0.044 1
1 466 . 16 1 1 A 43 43 GLY HA3 H 43 3.870 3.853 0.017 1
1 467 . 16 1 1 A 43 43 GLY C C 43 174.600 174.623 -0.023 1
1 468 . 16 1 1 A 43 43 GLY CA C 43 45.800 45.625 0.175 1
1 469 . 16 1 1 A 43 43 GLY N N 43 106.000 108.357 -2.357 1
1 470 . 16 1 1 A 44 44 LYS H H 44 8.260 7.847 0.413 1
1 471 . 16 1 1 A 44 44 LYS HA H 44 4.840 4.455 0.385 1
1 480 . 16 1 1 A 44 44 LYS C C 44 179.200 177.458 1.742 1
1 481 . 16 1 1 A 44 44 LYS CA C 44 54.500 56.191 -1.691 1
1 482 . 16 1 1 A 44 44 LYS CB C 44 32.900 32.433 0.467 1
1 486 . 16 1 1 A 44 44 LYS N N 44 115.900 119.260 -3.360 1
1 487 . 16 1 1 A 45 45 TRP H H 45 8.120 7.635 0.485 1
1 488 . 16 1 1 A 45 45 TRP HA H 45 4.350 4.395 -0.045 1
1 497 . 16 1 1 A 45 45 TRP C C 45 178.400 178.373 0.027 1
1 498 . 16 1 1 A 45 45 TRP CA C 45 60.500 59.662 0.838 1
1 499 . 16 1 1 A 45 45 TRP CB C 45 28.500 29.376 -0.876 1
1 505 . 16 1 1 A 45 45 TRP N N 45 124.800 120.186 4.614 1
1 507 . 16 1 1 A 46 46 ASP H H 46 8.950 8.534 0.416 1
1 508 . 16 1 1 A 46 46 ASP HA H 46 4.460 4.402 0.058 1
1 511 . 16 1 1 A 46 46 ASP C C 46 176.800 177.773 -0.973 1
1 512 . 16 1 1 A 46 46 ASP CA C 46 56.900 57.666 -0.766 1
1 513 . 16 1 1 A 46 46 ASP CB C 46 40.400 41.104 -0.704 1
1 514 . 16 1 1 A 46 46 ASP N N 46 117.400 120.883 -3.483 1
1 515 . 16 1 1 A 47 47 GLU H H 47 7.530 7.830 -0.300 1
1 516 . 16 1 1 A 47 47 GLU HA H 47 4.580 4.393 0.187 1
1 521 . 16 1 1 A 47 47 GLU C C 47 175.500 175.129 0.371 1
1 522 . 16 1 1 A 47 47 GLU CA C 47 55.300 56.660 -1.360 1
1 523 . 16 1 1 A 47 47 GLU CB C 47 30.800 30.447 0.353 1
1 525 . 16 1 1 A 47 47 GLU N N 47 114.500 116.554 -2.054 1
1 526 . 16 1 1 A 48 48 THR H H 48 7.230 7.413 -0.183 1
1 527 . 16 1 1 A 48 48 THR HA H 48 4.700 4.637 0.063 1
1 532 . 16 1 1 A 48 48 THR CA C 48 60.800 59.281 1.519 1
1 533 . 16 1 1 A 48 48 THR CB C 48 70.100 69.607 0.493 1
1 534 . 16 1 1 A 48 48 THR N N 48 119.900 115.754 4.146 1
1 535 . 16 1 1 A 49 49 PRO HA H 49 4.890 4.622 0.268 1
1 542 . 16 1 1 A 49 49 PRO C C 49 175.400 175.148 0.252 1
1 543 . 16 1 1 A 49 49 PRO CA C 49 62.100 62.310 -0.210 1
1 544 . 16 1 1 A 49 49 PRO CB C 49 32.900 32.677 0.223 1
1 547 . 16 1 1 A 50 50 VAL H H 50 6.960 7.940 -0.980 1
1 548 . 16 1 1 A 50 50 VAL HA H 50 4.030 4.683 -0.653 1
1 556 . 16 1 1 A 50 50 VAL C C 50 173.800 174.797 -0.997 1
1 557 . 16 1 1 A 50 50 VAL CA C 50 61.400 60.713 0.687 1
1 558 . 16 1 1 A 50 50 VAL CB C 50 33.900 33.717 0.183 1
1 561 . 16 1 1 A 50 50 VAL N N 50 119.400 120.649 -1.249 1
1 562 . 16 1 1 A 51 51 THR H H 51 8.940 9.163 -0.223 1
1 563 . 16 1 1 A 51 51 THR HA H 51 4.460 4.749 -0.289 1
1 568 . 16 1 1 A 51 51 THR C C 51 172.300 173.689 -1.389 1
1 569 . 16 1 1 A 51 51 THR CA C 51 60.600 61.419 -0.819 1
1 570 . 16 1 1 A 51 51 THR CB C 51 71.000 71.245 -0.245 1
1 571 . 16 1 1 A 51 51 THR N N 51 122.600 123.877 -1.277 1
1 572 . 16 1 1 A 52 52 ALA H H 52 8.150 8.591 -0.441 1
1 573 . 16 1 1 A 52 52 ALA HA H 52 3.940 3.919 0.021 1
1 577 . 16 1 1 A 52 52 ALA C C 52 179.100 178.175 0.925 1
1 578 . 16 1 1 A 52 52 ALA CA C 52 53.700 53.715 -0.015 1
1 579 . 16 1 1 A 52 52 ALA CB C 52 18.200 18.457 -0.257 1
1 580 . 16 1 1 A 52 52 ALA N N 52 125.400 129.015 -3.615 1
1 581 . 16 1 1 A 53 53 GLY H H 53 9.160 8.919 0.241 1
1 582 . 16 1 1 A 53 53 GLY HA2 H 53 3.670 4.001 -0.331 1
1 583 . 16 1 1 A 53 53 GLY HA3 H 53 4.310 4.002 0.308 1
1 584 . 16 1 1 A 53 53 GLY C C 53 174.900 174.111 0.789 1
1 585 . 16 1 1 A 53 53 GLY CA C 53 44.700 45.032 -0.332 1
1 586 . 16 1 1 A 53 53 GLY N N 53 111.000 110.506 0.494 1
1 587 . 16 1 1 A 54 54 ASP H H 54 8.180 7.801 0.379 1
1 588 . 16 1 1 A 54 54 ASP HA H 54 4.700 4.659 0.041 1
1 591 . 16 1 1 A 54 54 ASP C C 54 174.600 175.696 -1.096 1
1 592 . 16 1 1 A 54 54 ASP CA C 54 56.100 55.012 1.088 1
1 593 . 16 1 1 A 54 54 ASP CB C 54 41.800 41.768 0.032 1
1 594 . 16 1 1 A 54 54 ASP N N 54 122.700 122.042 0.658 1
1 595 . 16 1 1 A 55 55 GLU H H 55 8.160 8.775 -0.615 1
1 596 . 16 1 1 A 55 55 GLU HA H 55 4.730 4.715 0.015 1
1 601 . 16 1 1 A 55 55 GLU C C 55 175.000 175.219 -0.219 1
1 602 . 16 1 1 A 55 55 GLU CA C 55 55.100 56.363 -1.263 1
1 603 . 16 1 1 A 55 55 GLU CB C 55 30.500 30.637 -0.137 1
1 605 . 16 1 1 A 55 55 GLU N N 55 118.800 123.225 -4.425 1
1 606 . 16 1 1 A 56 56 ILE H H 56 9.320 8.984 0.336 1
1 607 . 16 1 1 A 56 56 ILE HA H 56 4.950 5.046 -0.096 1
1 617 . 16 1 1 A 56 56 ILE C C 56 175.100 174.830 0.270 1
1 618 . 16 1 1 A 56 56 ILE CA C 56 59.800 59.918 -0.118 1
1 619 . 16 1 1 A 56 56 ILE CB C 56 40.200 40.706 -0.506 1
1 623 . 16 1 1 A 56 56 ILE N N 56 127.400 127.555 -0.155 1
1 624 . 16 1 1 A 57 57 GLU H H 57 9.170 8.649 0.521 1
1 625 . 16 1 1 A 57 57 GLU HA H 57 5.000 5.125 -0.125 1
1 630 . 16 1 1 A 57 57 GLU C C 57 174.100 175.081 -0.981 1
1 631 . 16 1 1 A 57 57 GLU CA C 57 54.400 54.500 -0.100 1
1 632 . 16 1 1 A 57 57 GLU CB C 57 32.900 33.349 -0.449 1
1 634 . 16 1 1 A 57 57 GLU N N 57 129.600 125.774 3.826 1
1 635 . 16 1 1 A 58 58 ILE H H 58 9.500 8.966 0.534 1
1 636 . 16 1 1 A 58 58 ILE HA H 58 4.610 4.752 -0.142 1
1 646 . 16 1 1 A 58 58 ILE C C 58 175.900 174.825 1.075 1
1 647 . 16 1 1 A 58 58 ILE CA C 58 59.900 59.417 0.483 1
1 648 . 16 1 1 A 58 58 ILE CB C 58 37.800 38.971 -1.171 1
1 652 . 16 1 1 A 58 58 ILE N N 58 126.500 124.711 1.789 1
1 653 . 16 1 1 A 59 59 LEU H H 59 9.150 8.597 0.553 1
1 654 . 16 1 1 A 59 59 LEU HA H 59 4.840 4.875 -0.035 1
1 663 . 16 1 1 A 59 59 LEU C C 59 175.800 176.595 -0.795 1
1 664 . 16 1 1 A 59 59 LEU CA C 59 53.800 53.886 -0.086 1
1 665 . 16 1 1 A 59 59 LEU CB C 59 44.300 43.374 0.926 1
1 668 . 16 1 1 A 59 59 LEU N N 59 129.800 128.156 1.644 1
1 669 . 16 1 1 A 60 60 THR H H 60 8.470 8.666 -0.196 1
1 673 . 16 1 1 A 60 60 THR CA C 60 58.200 58.533 -0.333 1
1 674 . 16 1 1 A 60 60 THR CB C 60 69.900 69.696 0.204 1
1 676 . 16 1 1 A 60 60 THR N N 60 114.300 115.781 -1.481 1
1 677 . 16 1 1 A 61 61 PRO HA H 61 4.400 4.684 -0.284 1
1 680 . 16 1 1 A 61 61 PRO CA C 61 63.200 62.859 0.341 1
1 681 . 16 1 1 A 61 61 PRO CB C 61 32.100 32.553 -0.453 1
1 682 . 16 1 1 A 62 62 ARG HA H 62 4.260 5.091 -0.831 1
1 689 . 16 1 1 A 62 62 ARG C C 62 176.500 174.946 1.554 1
1 690 . 16 1 1 A 62 62 ARG CA C 62 56.500 55.217 1.283 1
1 691 . 16 1 1 A 62 62 ARG CB C 62 30.500 33.909 -3.409 1
1 694 . 16 1 1 A 63 63 GLN H H 63 8.500 8.755 -0.255 1
1 695 . 16 1 1 A 63 63 GLN HA H 63 4.250 4.641 -0.391 1
1 702 . 16 1 1 A 63 63 GLN C C 63 176.400 176.701 -0.301 1
1 703 . 16 1 1 A 63 63 GLN CA C 63 56.000 56.060 -0.060 1
1 704 . 16 1 1 A 63 63 GLN CB C 63 29.200 31.443 -2.243 1
1 706 . 16 1 1 A 63 63 GLN N N 63 121.700 118.850 2.850 1
1 708 . 16 1 1 A 64 64 GLY H H 64 8.330 8.144 0.186 1
1 709 . 16 1 1 A 64 64 GLY HA2 H 64 3.940 3.963 -0.023 1
1 710 . 16 1 1 A 64 64 GLY HA3 H 64 3.940 3.967 -0.027 1
1 711 . 16 1 1 A 64 64 GLY C C 64 174.500 174.841 -0.341 1
1 712 . 16 1 1 A 64 64 GLY CA C 64 45.300 45.895 -0.595 1
1 713 . 16 1 1 A 64 64 GLY N N 64 110.100 108.652 1.448 1
1 714 . 16 1 1 A 65 65 GLY H H 65 8.260 8.102 0.158 1
1 715 . 16 1 1 A 65 65 GLY HA2 H 65 3.940 4.013 -0.073 1
1 716 . 16 1 1 A 65 65 GLY HA3 H 65 3.940 4.014 -0.074 1
1 717 . 16 1 1 A 65 65 GLY C C 65 174.200 173.681 0.519 1
1 718 . 16 1 1 A 65 65 GLY CA C 65 45.200 44.309 0.891 1
1 719 . 16 1 1 A 65 65 GLY N N 65 108.500 108.203 0.297 1
1 720 . 16 1 1 A 66 66 LEU H H 66 8.200 8.507 -0.307 1
1 721 . 16 1 1 A 66 66 LEU HA H 66 4.250 4.334 -0.084 1
1 730 . 16 1 1 A 66 66 LEU C C 66 177.400 176.651 0.749 1
1 731 . 16 1 1 A 66 66 LEU CA C 66 55.200 54.805 0.395 1
1 732 . 16 1 1 A 66 66 LEU CB C 66 42.300 42.540 -0.240 1
1 736 . 16 1 1 A 66 66 LEU N N 66 121.200 123.059 -1.859 1
1 737 . 16 1 1 A 67 67 GLU H H 67 8.460 8.191 0.269 1
1 738 . 16 1 1 A 67 67 GLU HA H 67 4.170 4.311 -0.141 1
1 743 . 16 1 1 A 67 67 GLU CA C 67 56.500 56.322 0.178 1
1 744 . 16 1 1 A 67 67 GLU CB C 67 30.000 30.221 -0.221 1
1 2 . 17 1 1 A 2 2 LEU H H 2 8.810 7.439 1.371 1
1 3 . 17 1 1 A 2 2 LEU HA H 2 4.930 4.222 0.708 1
1 12 . 17 1 1 A 2 2 LEU C C 2 175.900 176.649 -0.749 1
1 13 . 17 1 1 A 2 2 LEU CA C 2 55.100 54.669 0.431 1
1 14 . 17 1 1 A 2 2 LEU CB C 2 42.600 42.322 0.278 1
1 17 . 17 1 1 A 2 2 LEU N N 2 127.000 122.499 4.501 1
1 18 . 17 1 1 A 3 3 VAL H H 3 8.670 8.959 -0.289 1
1 19 . 17 1 1 A 3 3 VAL HA H 3 4.580 4.839 -0.259 1
1 27 . 17 1 1 A 3 3 VAL C C 3 174.000 174.484 -0.484 1
1 28 . 17 1 1 A 3 3 VAL CA C 3 59.400 59.569 -0.169 1
1 29 . 17 1 1 A 3 3 VAL CB C 3 35.500 34.491 1.009 1
1 32 . 17 1 1 A 3 3 VAL N N 3 119.900 119.377 0.523 1
1 33 . 17 1 1 A 4 4 THR H H 4 8.310 8.856 -0.546 1
1 34 . 17 1 1 A 4 4 THR HA H 4 4.850 4.805 0.045 1
1 39 . 17 1 1 A 4 4 THR C C 4 173.600 174.124 -0.524 1
1 40 . 17 1 1 A 4 4 THR CA C 4 61.700 62.246 -0.546 1
1 41 . 17 1 1 A 4 4 THR CB C 4 69.500 69.124 0.376 1
1 43 . 17 1 1 A 4 4 THR N N 4 116.000 119.887 -3.887 1
1 44 . 17 1 1 A 5 5 ILE H H 5 9.060 9.333 -0.273 1
1 45 . 17 1 1 A 5 5 ILE HA H 5 4.830 4.836 -0.006 1
1 55 . 17 1 1 A 5 5 ILE C C 5 176.100 176.400 -0.300 1
1 56 . 17 1 1 A 5 5 ILE CA C 5 59.400 60.273 -0.873 1
1 57 . 17 1 1 A 5 5 ILE CB C 5 39.300 39.461 -0.161 1
1 61 . 17 1 1 A 5 5 ILE N N 5 125.000 127.258 -2.258 1
1 62 . 17 1 1 A 6 6 ASN H H 6 9.480 9.280 0.200 1
1 63 . 17 1 1 A 6 6 ASN HA H 6 4.510 4.366 0.144 1
1 68 . 17 1 1 A 6 6 ASN C C 6 175.700 174.621 1.079 1
1 69 . 17 1 1 A 6 6 ASN CA C 6 54.100 54.233 -0.133 1
1 70 . 17 1 1 A 6 6 ASN CB C 6 36.100 37.447 -1.347 1
1 71 . 17 1 1 A 6 6 ASN N N 6 129.500 126.369 3.131 1
1 73 . 17 1 1 A 7 7 GLY H H 7 8.860 8.632 0.228 1
1 74 . 17 1 1 A 7 7 GLY HA2 H 7 3.560 3.859 -0.299 1
1 75 . 17 1 1 A 7 7 GLY HA3 H 7 4.180 3.861 0.319 1
1 76 . 17 1 1 A 7 7 GLY C C 7 173.500 173.720 -0.220 1
1 77 . 17 1 1 A 7 7 GLY CA C 7 45.300 45.646 -0.346 1
1 78 . 17 1 1 A 7 7 GLY N N 7 102.200 103.826 -1.626 1
1 79 . 17 1 1 A 8 8 GLU H H 8 7.790 7.971 -0.181 1
1 80 . 17 1 1 A 8 8 GLU HA H 8 4.690 4.762 -0.072 1
1 85 . 17 1 1 A 8 8 GLU C C 8 175.300 175.462 -0.162 1
1 86 . 17 1 1 A 8 8 GLU CA C 8 54.200 54.643 -0.443 1
1 87 . 17 1 1 A 8 8 GLU CB C 8 32.300 32.422 -0.122 1
1 89 . 17 1 1 A 8 8 GLU N N 8 120.900 119.973 0.927 1
1 90 . 17 1 1 A 9 9 GLN H H 9 8.940 8.607 0.333 1
1 91 . 17 1 1 A 9 9 GLN HA H 9 4.770 4.790 -0.020 1
1 96 . 17 1 1 A 9 9 GLN C C 9 176.000 175.127 0.873 1
1 97 . 17 1 1 A 9 9 GLN CA C 9 56.900 55.948 0.952 1
1 98 . 17 1 1 A 9 9 GLN CB C 9 29.300 29.115 0.185 1
1 100 . 17 1 1 A 9 9 GLN N N 9 125.800 123.273 2.527 1
1 101 . 17 1 1 A 10 10 ARG H H 10 9.230 8.700 0.530 1
1 102 . 17 1 1 A 10 10 ARG HA H 10 4.580 4.844 -0.264 1
1 110 . 17 1 1 A 10 10 ARG C C 10 173.300 173.554 -0.254 1
1 111 . 17 1 1 A 10 10 ARG CA C 10 54.400 54.714 -0.314 1
1 112 . 17 1 1 A 10 10 ARG CB C 10 34.400 34.395 0.005 1
1 115 . 17 1 1 A 10 10 ARG N N 10 125.200 124.040 1.160 1
1 117 . 17 1 1 A 11 11 GLU H H 11 8.380 9.048 -0.668 1
1 118 . 17 1 1 A 11 11 GLU HA H 11 4.860 4.959 -0.099 1
1 123 . 17 1 1 A 11 11 GLU C C 11 176.900 175.650 1.250 1
1 124 . 17 1 1 A 11 11 GLU CA C 11 54.800 54.917 -0.117 1
1 125 . 17 1 1 A 11 11 GLU CB C 11 30.000 31.320 -1.320 1
1 127 . 17 1 1 A 11 11 GLU N N 11 123.300 126.408 -3.108 1
1 128 . 17 1 1 A 12 12 VAL H H 12 9.070 8.945 0.125 1
1 129 . 17 1 1 A 12 12 VAL HA H 12 4.870 4.940 -0.070 1
1 137 . 17 1 1 A 12 12 VAL C C 12 175.200 175.082 0.118 1
1 138 . 17 1 1 A 12 12 VAL CA C 12 58.600 58.765 -0.165 1
1 139 . 17 1 1 A 12 12 VAL CB C 12 34.400 35.891 -1.491 1
1 142 . 17 1 1 A 12 12 VAL N N 12 119.600 121.378 -1.778 1
1 143 . 17 1 1 A 13 13 GLN H H 13 10.260 8.580 1.680 1
1 144 . 17 1 1 A 13 13 GLN HA H 13 4.550 4.720 -0.170 1
1 149 . 17 1 1 A 13 13 GLN C C 13 177.700 176.548 1.152 1
1 150 . 17 1 1 A 13 13 GLN CA C 13 55.200 54.823 0.377 1
1 151 . 17 1 1 A 13 13 GLN CB C 13 30.000 28.447 1.553 1
1 152 . 17 1 1 A 13 13 GLN N N 13 120.900 120.696 0.204 1
1 153 . 17 1 1 A 14 14 SER H H 14 8.190 7.905 0.285 1
1 154 . 17 1 1 A 14 14 SER HA H 14 4.100 4.356 -0.256 1
1 157 . 17 1 1 A 14 14 SER C C 14 171.700 175.212 -3.512 1
1 158 . 17 1 1 A 14 14 SER CA C 14 61.000 59.493 1.507 1
1 159 . 17 1 1 A 14 14 SER CB C 14 65.300 64.186 1.114 1
1 160 . 17 1 1 A 14 14 SER N N 14 118.500 115.510 2.990 1
1 161 . 17 1 1 A 15 15 ALA H H 15 8.320 7.903 0.417 1
1 162 . 17 1 1 A 15 15 ALA HA H 15 4.610 4.010 0.600 1
1 166 . 17 1 1 A 15 15 ALA C C 15 177.900 175.703 2.197 1
1 167 . 17 1 1 A 15 15 ALA CA C 15 51.200 54.363 -3.163 1
1 168 . 17 1 1 A 15 15 ALA CB C 15 20.100 17.605 2.495 1
1 169 . 17 1 1 A 15 15 ALA N N 15 118.500 122.115 -3.615 1
1 170 . 17 1 1 A 16 16 SER H H 16 7.480 7.542 -0.062 1
1 171 . 17 1 1 A 16 16 SER HA H 16 5.390 4.702 0.688 1
1 174 . 17 1 1 A 16 16 SER C C 16 174.600 174.421 0.179 1
1 175 . 17 1 1 A 16 16 SER CA C 16 55.600 56.863 -1.263 1
1 176 . 17 1 1 A 16 16 SER CB C 16 67.400 65.922 1.478 1
1 177 . 17 1 1 A 16 16 SER N N 16 112.400 107.882 4.518 1
1 178 . 17 1 1 A 17 17 VAL H H 17 8.810 8.552 0.258 1
1 179 . 17 1 1 A 17 17 VAL HA H 17 3.120 3.537 -0.417 1
1 187 . 17 1 1 A 17 17 VAL C C 17 176.500 177.297 -0.797 1
1 188 . 17 1 1 A 17 17 VAL CA C 17 66.900 66.266 0.634 1
1 189 . 17 1 1 A 17 17 VAL CB C 17 31.300 31.550 -0.250 1
1 192 . 17 1 1 A 17 17 VAL N N 17 122.400 121.810 0.590 1
1 193 . 17 1 1 A 18 18 ALA H H 18 7.460 8.643 -1.183 1
1 194 . 17 1 1 A 18 18 ALA HA H 18 4.000 4.020 -0.020 1
1 198 . 17 1 1 A 18 18 ALA C C 18 179.600 179.247 0.353 1
1 199 . 17 1 1 A 18 18 ALA CA C 18 55.300 55.590 -0.290 1
1 200 . 17 1 1 A 18 18 ALA CB C 18 18.800 17.970 0.830 1
1 201 . 17 1 1 A 18 18 ALA N N 18 119.300 122.110 -2.810 1
1 202 . 17 1 1 A 19 19 ALA H H 19 7.620 7.718 -0.098 1
1 203 . 17 1 1 A 19 19 ALA HA H 19 4.130 4.154 -0.024 1
1 207 . 17 1 1 A 19 19 ALA C C 19 179.500 180.043 -0.543 1
1 208 . 17 1 1 A 19 19 ALA CA C 19 55.000 55.130 -0.130 1
1 209 . 17 1 1 A 19 19 ALA CB C 19 17.400 18.104 -0.704 1
1 210 . 17 1 1 A 19 19 ALA N N 19 120.000 121.093 -1.093 1
1 211 . 17 1 1 A 20 20 LEU H H 20 8.260 8.000 0.260 1
1 212 . 17 1 1 A 20 20 LEU HA H 20 4.120 4.077 0.043 1
1 221 . 17 1 1 A 20 20 LEU C C 20 177.700 178.828 -1.128 1
1 222 . 17 1 1 A 20 20 LEU CA C 20 57.500 57.744 -0.244 1
1 223 . 17 1 1 A 20 20 LEU CB C 20 42.000 41.498 0.502 1
1 226 . 17 1 1 A 20 20 LEU N N 20 121.900 120.180 1.720 1
1 227 . 17 1 1 A 21 21 MET H H 21 8.020 8.126 -0.106 1
1 228 . 17 1 1 A 21 21 MET HA H 21 4.130 4.103 0.027 1
1 230 . 17 1 1 A 21 21 MET C C 21 179.300 179.064 0.236 1
1 231 . 17 1 1 A 21 21 MET CA C 21 57.000 58.864 -1.864 1
1 232 . 17 1 1 A 21 21 MET CB C 21 30.300 33.050 -2.750 1
1 233 . 17 1 1 A 21 21 MET N N 21 115.800 117.193 -1.393 1
1 234 . 17 1 1 A 22 22 THR H H 22 7.380 7.755 -0.375 1
1 235 . 17 1 1 A 22 22 THR HA H 22 3.950 3.946 0.004 1
1 240 . 17 1 1 A 22 22 THR C C 22 177.300 176.854 0.446 1
1 241 . 17 1 1 A 22 22 THR CA C 22 66.600 67.294 -0.694 1
1 242 . 17 1 1 A 22 22 THR CB C 22 68.200 68.358 -0.158 1
1 244 . 17 1 1 A 22 22 THR N N 22 116.500 115.830 0.670 1
1 245 . 17 1 1 A 23 23 GLU H H 23 8.650 8.211 0.439 1
1 246 . 17 1 1 A 23 23 GLU HA H 23 3.960 3.993 -0.033 1
1 251 . 17 1 1 A 23 23 GLU C C 23 177.900 178.305 -0.405 1
1 252 . 17 1 1 A 23 23 GLU CA C 23 59.500 59.155 0.345 1
1 253 . 17 1 1 A 23 23 GLU CB C 23 29.600 29.275 0.325 1
1 255 . 17 1 1 A 23 23 GLU N N 23 128.000 120.585 7.415 1
1 256 . 17 1 1 A 24 24 LEU H H 24 8.140 7.819 0.321 1
1 257 . 17 1 1 A 24 24 LEU HA H 24 4.200 4.267 -0.067 1
1 266 . 17 1 1 A 24 24 LEU C C 24 175.800 175.662 0.138 1
1 267 . 17 1 1 A 24 24 LEU CA C 24 54.200 54.954 -0.754 1
1 268 . 17 1 1 A 24 24 LEU CB C 24 41.900 41.721 0.179 1
1 271 . 17 1 1 A 24 24 LEU N N 24 115.900 118.070 -2.170 1
1 272 . 17 1 1 A 25 25 ASP H H 25 7.980 7.927 0.053 1
1 273 . 17 1 1 A 25 25 ASP HA H 25 4.440 4.343 0.097 1
1 276 . 17 1 1 A 25 25 ASP C C 25 175.800 175.806 -0.006 1
1 277 . 17 1 1 A 25 25 ASP CA C 25 55.200 55.327 -0.127 1
1 278 . 17 1 1 A 25 25 ASP CB C 25 39.400 38.943 0.457 1
1 279 . 17 1 1 A 25 25 ASP N N 25 118.400 115.532 2.868 1
1 280 . 17 1 1 A 26 26 CYS H H 26 8.510 8.039 0.471 1
1 281 . 17 1 1 A 26 26 CYS HA H 26 4.460 4.326 0.134 1
1 284 . 17 1 1 A 26 26 CYS C C 26 174.300 175.205 -0.905 1
1 285 . 17 1 1 A 26 26 CYS CA C 26 58.500 62.547 -4.047 1
1 286 . 17 1 1 A 26 26 CYS CB C 26 27.100 27.732 -0.632 1
1 287 . 17 1 1 A 26 26 CYS N N 26 117.000 116.480 0.520 1
1 288 . 17 1 1 A 27 27 THR H H 27 7.810 8.102 -0.292 1
1 289 . 17 1 1 A 27 27 THR HA H 27 4.450 4.108 0.342 1
1 291 . 17 1 1 A 27 27 THR CA C 27 62.200 65.314 -3.114 1
1 292 . 17 1 1 A 27 27 THR CB C 27 69.400 67.113 2.287 1
1 293 . 17 1 1 A 27 27 THR N N 27 107.800 112.286 -4.486 1
1 294 . 17 1 1 A 29 29 GLY H H 29 8.440 8.477 -0.037 1
1 295 . 17 1 1 A 29 29 GLY HA2 H 29 3.890 3.862 0.028 1
1 296 . 17 1 1 A 29 29 GLY HA3 H 29 3.970 3.909 0.061 1
1 297 . 17 1 1 A 29 29 GLY C C 29 173.800 174.945 -1.145 1
1 298 . 17 1 1 A 29 29 GLY CA C 29 45.800 45.669 0.131 1
1 299 . 17 1 1 A 29 29 GLY N N 29 108.100 107.421 0.679 1
1 300 . 17 1 1 A 30 30 HIS H H 30 8.210 8.439 -0.229 1
1 301 . 17 1 1 A 30 30 HIS HA H 30 4.650 4.462 0.188 1
1 305 . 17 1 1 A 30 30 HIS C C 30 173.500 174.640 -1.140 1
1 306 . 17 1 1 A 30 30 HIS CA C 30 55.600 56.947 -1.347 1
1 307 . 17 1 1 A 30 30 HIS CB C 30 28.700 29.782 -1.082 1
1 309 . 17 1 1 A 30 30 HIS N N 30 117.300 119.232 -1.932 1
1 310 . 17 1 1 A 31 31 PHE H H 31 7.520 7.890 -0.370 1
1 311 . 17 1 1 A 31 31 PHE HA H 31 5.050 4.948 0.102 1
1 316 . 17 1 1 A 31 31 PHE C C 31 175.200 175.504 -0.304 1
1 317 . 17 1 1 A 31 31 PHE CA C 31 58.000 57.173 0.827 1
1 318 . 17 1 1 A 31 31 PHE CB C 31 41.200 41.285 -0.085 1
1 321 . 17 1 1 A 31 31 PHE N N 31 117.000 118.404 -1.404 1
1 322 . 17 1 1 A 32 32 ALA H H 32 9.010 9.087 -0.077 1
1 323 . 17 1 1 A 32 32 ALA HA H 32 5.010 5.746 -0.736 1
1 327 . 17 1 1 A 32 32 ALA C C 32 174.800 176.084 -1.284 1
1 328 . 17 1 1 A 32 32 ALA CA C 32 50.400 50.190 0.210 1
1 329 . 17 1 1 A 32 32 ALA CB C 32 22.500 23.488 -0.988 1
1 330 . 17 1 1 A 32 32 ALA N N 32 123.800 123.195 0.605 1
1 331 . 17 1 1 A 33 33 VAL H H 33 9.350 8.997 0.353 1
1 332 . 17 1 1 A 33 33 VAL HA H 33 5.130 4.879 0.251 1
1 340 . 17 1 1 A 33 33 VAL C C 33 172.400 173.998 -1.598 1
1 341 . 17 1 1 A 33 33 VAL CA C 33 59.700 59.704 -0.004 1
1 342 . 17 1 1 A 33 33 VAL CB C 33 35.000 34.377 0.623 1
1 345 . 17 1 1 A 33 33 VAL N N 33 120.200 114.109 6.091 1
1 346 . 17 1 1 A 34 34 ALA H H 34 9.100 9.491 -0.391 1
1 347 . 17 1 1 A 34 34 ALA HA H 34 5.130 5.416 -0.286 1
1 351 . 17 1 1 A 34 34 ALA C C 34 174.900 175.227 -0.327 1
1 352 . 17 1 1 A 34 34 ALA CA C 34 49.600 50.120 -0.520 1
1 353 . 17 1 1 A 34 34 ALA CB C 34 21.200 20.558 0.642 1
1 354 . 17 1 1 A 34 34 ALA N N 34 127.800 126.463 1.337 1
1 355 . 17 1 1 A 35 35 LEU H H 35 8.680 9.610 -0.930 1
1 356 . 17 1 1 A 35 35 LEU HA H 35 4.750 4.809 -0.059 1
1 366 . 17 1 1 A 35 35 LEU C C 35 175.700 175.760 -0.060 1
1 367 . 17 1 1 A 35 35 LEU CA C 35 53.200 53.272 -0.072 1
1 368 . 17 1 1 A 35 35 LEU CB C 35 45.600 44.578 1.022 1
1 372 . 17 1 1 A 35 35 LEU N N 35 125.000 125.574 -0.574 1
1 373 . 17 1 1 A 36 36 ASN H H 36 9.960 9.049 0.911 1
1 374 . 17 1 1 A 36 36 ASN HA H 36 3.890 4.459 -0.569 1
1 379 . 17 1 1 A 36 36 ASN C C 36 174.500 175.100 -0.600 1
1 380 . 17 1 1 A 36 36 ASN CA C 36 54.900 54.702 0.198 1
1 381 . 17 1 1 A 36 36 ASN CB C 36 36.800 36.970 -0.170 1
1 382 . 17 1 1 A 36 36 ASN N N 36 127.300 126.193 1.107 1
1 384 . 17 1 1 A 37 37 TYR H H 37 8.750 8.664 0.086 1
1 385 . 17 1 1 A 37 37 TYR HA H 37 3.720 4.184 -0.464 1
1 392 . 17 1 1 A 37 37 TYR C C 37 174.100 174.201 -0.101 1
1 393 . 17 1 1 A 37 37 TYR CA C 37 59.900 58.934 0.966 1
1 394 . 17 1 1 A 37 37 TYR CB C 37 35.300 36.968 -1.668 1
1 399 . 17 1 1 A 37 37 TYR N N 37 107.500 115.948 -8.448 1
1 400 . 17 1 1 A 38 38 ASP H H 38 7.590 7.750 -0.160 1
1 401 . 17 1 1 A 38 38 ASP HA H 38 5.090 4.821 0.269 1
1 404 . 17 1 1 A 38 38 ASP C C 38 175.400 174.472 0.928 1
1 405 . 17 1 1 A 38 38 ASP CA C 38 53.100 53.904 -0.804 1
1 406 . 17 1 1 A 38 38 ASP CB C 38 42.900 45.070 -2.170 1
1 407 . 17 1 1 A 38 38 ASP N N 38 119.900 120.055 -0.155 1
1 408 . 17 1 1 A 39 39 VAL H H 39 8.590 8.625 -0.035 1
1 409 . 17 1 1 A 39 39 VAL HA H 39 4.220 4.354 -0.134 1
1 417 . 17 1 1 A 39 39 VAL C C 39 176.600 175.596 1.004 1
1 418 . 17 1 1 A 39 39 VAL CA C 39 63.600 62.920 0.680 1
1 419 . 17 1 1 A 39 39 VAL CB C 39 31.700 31.773 -0.073 1
1 422 . 17 1 1 A 39 39 VAL N N 39 124.300 125.188 -0.888 1
1 423 . 17 1 1 A 40 40 VAL H H 40 8.970 8.885 0.085 1
1 424 . 17 1 1 A 40 40 VAL HA H 40 4.600 4.616 -0.016 1
1 432 . 17 1 1 A 40 40 VAL CA C 40 59.100 59.584 -0.484 1
1 433 . 17 1 1 A 40 40 VAL CB C 40 32.500 32.317 0.183 1
1 436 . 17 1 1 A 40 40 VAL N N 40 130.800 128.220 2.580 1
1 437 . 17 1 1 A 41 41 PRO HA H 41 4.580 4.731 -0.151 1
1 444 . 17 1 1 A 41 41 PRO C C 41 177.700 177.613 0.087 1
1 445 . 17 1 1 A 41 41 PRO CA C 41 62.800 62.869 -0.069 1
1 446 . 17 1 1 A 41 41 PRO CB C 41 32.300 32.813 -0.513 1
1 449 . 17 1 1 A 42 42 ARG H H 42 8.640 8.269 0.371 1
1 450 . 17 1 1 A 42 42 ARG HA H 42 1.890 1.912 -0.022 1
1 458 . 17 1 1 A 42 42 ARG C C 42 178.800 176.420 2.380 1
1 459 . 17 1 1 A 42 42 ARG CA C 42 58.100 57.179 0.921 1
1 460 . 17 1 1 A 42 42 ARG CB C 42 29.600 28.712 0.888 1
1 462 . 17 1 1 A 42 42 ARG N N 42 124.000 122.574 1.426 1
1 464 . 17 1 1 A 43 43 GLY H H 43 8.690 8.027 0.663 1
1 465 . 17 1 1 A 43 43 GLY HA2 H 43 3.770 3.859 -0.089 1
1 466 . 17 1 1 A 43 43 GLY HA3 H 43 3.870 3.895 -0.025 1
1 467 . 17 1 1 A 43 43 GLY C C 43 174.600 174.411 0.189 1
1 468 . 17 1 1 A 43 43 GLY CA C 43 45.800 45.404 0.396 1
1 469 . 17 1 1 A 43 43 GLY N N 43 106.000 108.601 -2.601 1
1 470 . 17 1 1 A 44 44 LYS H H 44 8.260 8.510 -0.250 1
1 471 . 17 1 1 A 44 44 LYS HA H 44 4.840 4.615 0.225 1
1 480 . 17 1 1 A 44 44 LYS C C 44 179.200 177.119 2.081 1
1 481 . 17 1 1 A 44 44 LYS CA C 44 54.500 55.448 -0.948 1
1 482 . 17 1 1 A 44 44 LYS CB C 44 32.900 33.456 -0.556 1
1 486 . 17 1 1 A 44 44 LYS N N 44 115.900 117.764 -1.864 1
1 487 . 17 1 1 A 45 45 TRP H H 45 8.120 7.755 0.365 1
1 488 . 17 1 1 A 45 45 TRP HA H 45 4.350 4.414 -0.064 1
1 497 . 17 1 1 A 45 45 TRP C C 45 178.400 178.382 0.018 1
1 498 . 17 1 1 A 45 45 TRP CA C 45 60.500 59.947 0.553 1
1 499 . 17 1 1 A 45 45 TRP CB C 45 28.500 29.108 -0.608 1
1 505 . 17 1 1 A 45 45 TRP N N 45 124.800 121.251 3.549 1
1 507 . 17 1 1 A 46 46 ASP H H 46 8.950 8.465 0.485 1
1 508 . 17 1 1 A 46 46 ASP HA H 46 4.460 4.400 0.060 1
1 511 . 17 1 1 A 46 46 ASP C C 46 176.800 177.857 -1.057 1
1 512 . 17 1 1 A 46 46 ASP CA C 46 56.900 57.670 -0.770 1
1 513 . 17 1 1 A 46 46 ASP CB C 46 40.400 41.136 -0.736 1
1 514 . 17 1 1 A 46 46 ASP N N 46 117.400 120.648 -3.248 1
1 515 . 17 1 1 A 47 47 GLU H H 47 7.530 7.807 -0.277 1
1 516 . 17 1 1 A 47 47 GLU HA H 47 4.580 4.400 0.180 1
1 521 . 17 1 1 A 47 47 GLU C C 47 175.500 175.265 0.235 1
1 522 . 17 1 1 A 47 47 GLU CA C 47 55.300 56.921 -1.621 1
1 523 . 17 1 1 A 47 47 GLU CB C 47 30.800 29.971 0.829 1
1 525 . 17 1 1 A 47 47 GLU N N 47 114.500 116.835 -2.335 1
1 526 . 17 1 1 A 48 48 THR H H 48 7.230 7.445 -0.215 1
1 527 . 17 1 1 A 48 48 THR HA H 48 4.700 4.582 0.118 1
1 532 . 17 1 1 A 48 48 THR CA C 48 60.800 59.228 1.572 1
1 533 . 17 1 1 A 48 48 THR CB C 48 70.100 69.533 0.567 1
1 534 . 17 1 1 A 48 48 THR N N 48 119.900 115.860 4.040 1
1 535 . 17 1 1 A 49 49 PRO HA H 49 4.890 4.828 0.062 1
1 542 . 17 1 1 A 49 49 PRO C C 49 175.400 175.254 0.146 1
1 543 . 17 1 1 A 49 49 PRO CA C 49 62.100 62.296 -0.196 1
1 544 . 17 1 1 A 49 49 PRO CB C 49 32.900 32.709 0.191 1
1 547 . 17 1 1 A 50 50 VAL H H 50 6.960 8.560 -1.600 1
1 548 . 17 1 1 A 50 50 VAL HA H 50 4.030 4.778 -0.748 1
1 556 . 17 1 1 A 50 50 VAL C C 50 173.800 174.550 -0.750 1
1 557 . 17 1 1 A 50 50 VAL CA C 50 61.400 60.364 1.036 1
1 558 . 17 1 1 A 50 50 VAL CB C 50 33.900 34.143 -0.243 1
1 561 . 17 1 1 A 50 50 VAL N N 50 119.400 120.366 -0.966 1
1 562 . 17 1 1 A 51 51 THR H H 51 8.940 9.159 -0.219 1
1 563 . 17 1 1 A 51 51 THR HA H 51 4.460 4.748 -0.288 1
1 568 . 17 1 1 A 51 51 THR C C 51 172.300 174.169 -1.869 1
1 569 . 17 1 1 A 51 51 THR CA C 51 60.600 61.060 -0.460 1
1 570 . 17 1 1 A 51 51 THR CB C 51 71.000 71.104 -0.104 1
1 571 . 17 1 1 A 51 51 THR N N 51 122.600 124.112 -1.512 1
1 572 . 17 1 1 A 52 52 ALA H H 52 8.150 8.560 -0.410 1
1 573 . 17 1 1 A 52 52 ALA HA H 52 3.940 3.955 -0.015 1
1 577 . 17 1 1 A 52 52 ALA C C 52 179.100 178.166 0.934 1
1 578 . 17 1 1 A 52 52 ALA CA C 52 53.700 53.965 -0.265 1
1 579 . 17 1 1 A 52 52 ALA CB C 52 18.200 18.416 -0.216 1
1 580 . 17 1 1 A 52 52 ALA N N 52 125.400 128.924 -3.524 1
1 581 . 17 1 1 A 53 53 GLY H H 53 9.160 8.754 0.406 1
1 582 . 17 1 1 A 53 53 GLY HA2 H 53 3.670 4.035 -0.365 1
1 583 . 17 1 1 A 53 53 GLY HA3 H 53 4.310 4.037 0.273 1
1 584 . 17 1 1 A 53 53 GLY C C 53 174.900 174.656 0.244 1
1 585 . 17 1 1 A 53 53 GLY CA C 53 44.700 45.175 -0.475 1
1 586 . 17 1 1 A 53 53 GLY N N 53 111.000 111.490 -0.490 1
1 587 . 17 1 1 A 54 54 ASP H H 54 8.180 8.203 -0.023 1
1 588 . 17 1 1 A 54 54 ASP HA H 54 4.700 4.652 0.048 1
1 591 . 17 1 1 A 54 54 ASP C C 54 174.600 175.532 -0.932 1
1 592 . 17 1 1 A 54 54 ASP CA C 54 56.100 55.108 0.992 1
1 593 . 17 1 1 A 54 54 ASP CB C 54 41.800 41.729 0.071 1
1 594 . 17 1 1 A 54 54 ASP N N 54 122.700 122.006 0.694 1
1 595 . 17 1 1 A 55 55 GLU H H 55 8.160 8.574 -0.414 1
1 596 . 17 1 1 A 55 55 GLU HA H 55 4.730 4.716 0.014 1
1 601 . 17 1 1 A 55 55 GLU C C 55 175.000 175.574 -0.574 1
1 602 . 17 1 1 A 55 55 GLU CA C 55 55.100 56.112 -1.012 1
1 603 . 17 1 1 A 55 55 GLU CB C 55 30.500 30.651 -0.151 1
1 605 . 17 1 1 A 55 55 GLU N N 55 118.800 121.449 -2.649 1
1 606 . 17 1 1 A 56 56 ILE H H 56 9.320 9.337 -0.017 1
1 607 . 17 1 1 A 56 56 ILE HA H 56 4.950 4.903 0.047 1
1 617 . 17 1 1 A 56 56 ILE C C 56 175.100 175.277 -0.177 1
1 618 . 17 1 1 A 56 56 ILE CA C 56 59.800 59.793 0.007 1
1 619 . 17 1 1 A 56 56 ILE CB C 56 40.200 40.410 -0.210 1
1 623 . 17 1 1 A 56 56 ILE N N 56 127.400 125.533 1.867 1
1 624 . 17 1 1 A 57 57 GLU H H 57 9.170 8.858 0.312 1
1 625 . 17 1 1 A 57 57 GLU HA H 57 5.000 5.079 -0.079 1
1 630 . 17 1 1 A 57 57 GLU C C 57 174.100 175.098 -0.998 1
1 631 . 17 1 1 A 57 57 GLU CA C 57 54.400 54.610 -0.210 1
1 632 . 17 1 1 A 57 57 GLU CB C 57 32.900 33.244 -0.344 1
1 634 . 17 1 1 A 57 57 GLU N N 57 129.600 125.389 4.211 1
1 635 . 17 1 1 A 58 58 ILE H H 58 9.500 8.915 0.585 1
1 636 . 17 1 1 A 58 58 ILE HA H 58 4.610 4.711 -0.101 1
1 646 . 17 1 1 A 58 58 ILE C C 58 175.900 175.610 0.290 1
1 647 . 17 1 1 A 58 58 ILE CA C 58 59.900 59.287 0.613 1
1 648 . 17 1 1 A 58 58 ILE CB C 58 37.800 38.810 -1.010 1
1 652 . 17 1 1 A 58 58 ILE N N 58 126.500 125.009 1.491 1
1 653 . 17 1 1 A 59 59 LEU H H 59 9.150 8.480 0.670 1
1 654 . 17 1 1 A 59 59 LEU HA H 59 4.840 4.606 0.234 1
1 663 . 17 1 1 A 59 59 LEU C C 59 175.800 176.509 -0.709 1
1 664 . 17 1 1 A 59 59 LEU CA C 59 53.800 54.760 -0.960 1
1 665 . 17 1 1 A 59 59 LEU CB C 59 44.300 42.430 1.870 1
1 668 . 17 1 1 A 59 59 LEU N N 59 129.800 128.657 1.143 1
1 669 . 17 1 1 A 60 60 THR H H 60 8.470 8.878 -0.408 1
1 673 . 17 1 1 A 60 60 THR CA C 60 58.200 58.660 -0.460 1
1 674 . 17 1 1 A 60 60 THR CB C 60 69.900 69.206 0.694 1
1 676 . 17 1 1 A 60 60 THR N N 60 114.300 115.740 -1.440 1
1 677 . 17 1 1 A 61 61 PRO HA H 61 4.400 4.837 -0.437 1
1 680 . 17 1 1 A 61 61 PRO CA C 61 63.200 62.473 0.727 1
1 681 . 17 1 1 A 61 61 PRO CB C 61 32.100 31.872 0.228 1
1 682 . 17 1 1 A 62 62 ARG HA H 62 4.260 4.537 -0.277 1
1 689 . 17 1 1 A 62 62 ARG C C 62 176.500 175.797 0.703 1
1 690 . 17 1 1 A 62 62 ARG CA C 62 56.500 55.951 0.549 1
1 691 . 17 1 1 A 62 62 ARG CB C 62 30.500 31.072 -0.572 1
1 694 . 17 1 1 A 63 63 GLN H H 63 8.500 8.590 -0.090 1
1 695 . 17 1 1 A 63 63 GLN HA H 63 4.250 4.481 -0.231 1
1 702 . 17 1 1 A 63 63 GLN C C 63 176.400 176.673 -0.273 1
1 703 . 17 1 1 A 63 63 GLN CA C 63 56.000 56.040 -0.040 1
1 704 . 17 1 1 A 63 63 GLN CB C 63 29.200 29.898 -0.698 1
1 706 . 17 1 1 A 63 63 GLN N N 63 121.700 125.146 -3.446 1
1 708 . 17 1 1 A 64 64 GLY H H 64 8.330 9.005 -0.675 1
1 709 . 17 1 1 A 64 64 GLY HA2 H 64 3.940 3.825 0.115 1
1 710 . 17 1 1 A 64 64 GLY HA3 H 64 3.940 3.826 0.114 1
1 711 . 17 1 1 A 64 64 GLY C C 64 174.500 175.094 -0.594 1
1 712 . 17 1 1 A 64 64 GLY CA C 64 45.300 45.844 -0.544 1
1 713 . 17 1 1 A 64 64 GLY N N 64 110.100 114.851 -4.751 1
1 714 . 17 1 1 A 65 65 GLY H H 65 8.260 8.022 0.238 1
1 715 . 17 1 1 A 65 65 GLY HA2 H 65 3.940 4.013 -0.073 1
1 716 . 17 1 1 A 65 65 GLY HA3 H 65 3.940 4.019 -0.079 1
1 717 . 17 1 1 A 65 65 GLY C C 65 174.200 172.992 1.208 1
1 718 . 17 1 1 A 65 65 GLY CA C 65 45.200 45.216 -0.016 1
1 719 . 17 1 1 A 65 65 GLY N N 65 108.500 108.249 0.251 1
1 720 . 17 1 1 A 66 66 LEU H H 66 8.200 8.635 -0.435 1
1 721 . 17 1 1 A 66 66 LEU HA H 66 4.250 4.356 -0.106 1
1 730 . 17 1 1 A 66 66 LEU C C 66 177.400 176.760 0.640 1
1 731 . 17 1 1 A 66 66 LEU CA C 66 55.200 54.206 0.994 1
1 732 . 17 1 1 A 66 66 LEU CB C 66 42.300 42.458 -0.158 1
1 736 . 17 1 1 A 66 66 LEU N N 66 121.200 122.353 -1.153 1
1 737 . 17 1 1 A 67 67 GLU H H 67 8.460 8.529 -0.069 1
1 738 . 17 1 1 A 67 67 GLU HA H 67 4.170 4.377 -0.207 1
1 743 . 17 1 1 A 67 67 GLU CA C 67 56.500 56.052 0.448 1
1 744 . 17 1 1 A 67 67 GLU CB C 67 30.000 30.122 -0.122 1
1 2 . 18 1 1 A 2 2 LEU H H 2 8.810 7.964 0.846 1
1 3 . 18 1 1 A 2 2 LEU HA H 2 4.930 4.333 0.597 1
1 12 . 18 1 1 A 2 2 LEU C C 2 175.900 176.439 -0.539 1
1 13 . 18 1 1 A 2 2 LEU CA C 2 55.100 54.671 0.429 1
1 14 . 18 1 1 A 2 2 LEU CB C 2 42.600 42.563 0.037 1
1 17 . 18 1 1 A 2 2 LEU N N 2 127.000 119.255 7.745 1
1 18 . 18 1 1 A 3 3 VAL H H 3 8.670 9.460 -0.790 1
1 19 . 18 1 1 A 3 3 VAL HA H 3 4.580 4.854 -0.274 1
1 27 . 18 1 1 A 3 3 VAL C C 3 174.000 174.439 -0.439 1
1 28 . 18 1 1 A 3 3 VAL CA C 3 59.400 59.536 -0.136 1
1 29 . 18 1 1 A 3 3 VAL CB C 3 35.500 34.705 0.795 1
1 32 . 18 1 1 A 3 3 VAL N N 3 119.900 119.322 0.578 1
1 33 . 18 1 1 A 4 4 THR H H 4 8.310 8.819 -0.509 1
1 34 . 18 1 1 A 4 4 THR HA H 4 4.850 4.628 0.222 1
1 39 . 18 1 1 A 4 4 THR C C 4 173.600 173.928 -0.328 1
1 40 . 18 1 1 A 4 4 THR CA C 4 61.700 62.222 -0.522 1
1 41 . 18 1 1 A 4 4 THR CB C 4 69.500 68.941 0.559 1
1 43 . 18 1 1 A 4 4 THR N N 4 116.000 120.482 -4.482 1
1 44 . 18 1 1 A 5 5 ILE H H 5 9.060 9.422 -0.362 1
1 45 . 18 1 1 A 5 5 ILE HA H 5 4.830 4.770 0.060 1
1 55 . 18 1 1 A 5 5 ILE C C 5 176.100 175.959 0.141 1
1 56 . 18 1 1 A 5 5 ILE CA C 5 59.400 60.455 -1.055 1
1 57 . 18 1 1 A 5 5 ILE CB C 5 39.300 39.793 -0.493 1
1 61 . 18 1 1 A 5 5 ILE N N 5 125.000 127.124 -2.124 1
1 62 . 18 1 1 A 6 6 ASN H H 6 9.480 9.054 0.426 1
1 63 . 18 1 1 A 6 6 ASN HA H 6 4.510 4.456 0.054 1
1 68 . 18 1 1 A 6 6 ASN C C 6 175.700 175.563 0.137 1
1 69 . 18 1 1 A 6 6 ASN CA C 6 54.100 54.688 -0.588 1
1 70 . 18 1 1 A 6 6 ASN CB C 6 36.100 37.255 -1.155 1
1 71 . 18 1 1 A 6 6 ASN N N 6 129.500 127.862 1.638 1
1 73 . 18 1 1 A 7 7 GLY H H 7 8.860 8.646 0.214 1
1 74 . 18 1 1 A 7 7 GLY HA2 H 7 3.560 3.864 -0.304 1
1 75 . 18 1 1 A 7 7 GLY HA3 H 7 4.180 3.865 0.315 1
1 76 . 18 1 1 A 7 7 GLY C C 7 173.500 173.719 -0.219 1
1 77 . 18 1 1 A 7 7 GLY CA C 7 45.300 45.384 -0.084 1
1 78 . 18 1 1 A 7 7 GLY N N 7 102.200 104.069 -1.869 1
1 79 . 18 1 1 A 8 8 GLU H H 8 7.790 8.086 -0.296 1
1 80 . 18 1 1 A 8 8 GLU HA H 8 4.690 4.691 -0.001 1
1 85 . 18 1 1 A 8 8 GLU C C 8 175.300 174.977 0.323 1
1 86 . 18 1 1 A 8 8 GLU CA C 8 54.200 54.788 -0.588 1
1 87 . 18 1 1 A 8 8 GLU CB C 8 32.300 32.367 -0.067 1
1 89 . 18 1 1 A 8 8 GLU N N 8 120.900 120.511 0.389 1
1 90 . 18 1 1 A 9 9 GLN H H 9 8.940 8.605 0.335 1
1 91 . 18 1 1 A 9 9 GLN HA H 9 4.770 4.782 -0.012 1
1 96 . 18 1 1 A 9 9 GLN C C 9 176.000 175.186 0.814 1
1 97 . 18 1 1 A 9 9 GLN CA C 9 56.900 56.056 0.844 1
1 98 . 18 1 1 A 9 9 GLN CB C 9 29.300 29.097 0.203 1
1 100 . 18 1 1 A 9 9 GLN N N 9 125.800 125.837 -0.037 1
1 101 . 18 1 1 A 10 10 ARG H H 10 9.230 8.847 0.383 1
1 102 . 18 1 1 A 10 10 ARG HA H 10 4.580 4.836 -0.256 1
1 110 . 18 1 1 A 10 10 ARG C C 10 173.300 173.525 -0.225 1
1 111 . 18 1 1 A 10 10 ARG CA C 10 54.400 54.688 -0.288 1
1 112 . 18 1 1 A 10 10 ARG CB C 10 34.400 34.638 -0.238 1
1 115 . 18 1 1 A 10 10 ARG N N 10 125.200 123.823 1.377 1
1 117 . 18 1 1 A 11 11 GLU H H 11 8.380 8.828 -0.448 1
1 118 . 18 1 1 A 11 11 GLU HA H 11 4.860 4.954 -0.094 1
1 123 . 18 1 1 A 11 11 GLU C C 11 176.900 175.656 1.244 1
1 124 . 18 1 1 A 11 11 GLU CA C 11 54.800 55.131 -0.331 1
1 125 . 18 1 1 A 11 11 GLU CB C 11 30.000 32.065 -2.065 1
1 127 . 18 1 1 A 11 11 GLU N N 11 123.300 125.116 -1.816 1
1 128 . 18 1 1 A 12 12 VAL H H 12 9.070 9.032 0.038 1
1 129 . 18 1 1 A 12 12 VAL HA H 12 4.870 4.804 0.066 1
1 137 . 18 1 1 A 12 12 VAL C C 12 175.200 175.597 -0.397 1
1 138 . 18 1 1 A 12 12 VAL CA C 12 58.600 59.612 -1.012 1
1 139 . 18 1 1 A 12 12 VAL CB C 12 34.400 34.783 -0.383 1
1 142 . 18 1 1 A 12 12 VAL N N 12 119.600 122.934 -3.334 1
1 143 . 18 1 1 A 13 13 GLN H H 13 10.260 8.650 1.610 1
1 144 . 18 1 1 A 13 13 GLN HA H 13 4.550 4.446 0.104 1
1 149 . 18 1 1 A 13 13 GLN C C 13 177.700 175.671 2.029 1
1 150 . 18 1 1 A 13 13 GLN CA C 13 55.200 56.263 -1.063 1
1 151 . 18 1 1 A 13 13 GLN CB C 13 30.000 29.162 0.838 1
1 152 . 18 1 1 A 13 13 GLN N N 13 120.900 123.070 -2.170 1
1 153 . 18 1 1 A 14 14 SER H H 14 8.190 7.778 0.412 1
1 154 . 18 1 1 A 14 14 SER HA H 14 4.100 4.385 -0.285 1
1 157 . 18 1 1 A 14 14 SER C C 14 171.700 174.618 -2.918 1
1 158 . 18 1 1 A 14 14 SER CA C 14 61.000 57.766 3.234 1
1 159 . 18 1 1 A 14 14 SER CB C 14 65.300 64.418 0.882 1
1 160 . 18 1 1 A 14 14 SER N N 14 118.500 114.917 3.583 1
1 161 . 18 1 1 A 15 15 ALA H H 15 8.320 8.743 -0.423 1
1 162 . 18 1 1 A 15 15 ALA HA H 15 4.610 4.652 -0.042 1
1 166 . 18 1 1 A 15 15 ALA C C 15 177.900 177.080 0.820 1
1 167 . 18 1 1 A 15 15 ALA CA C 15 51.200 51.494 -0.294 1
1 168 . 18 1 1 A 15 15 ALA CB C 15 20.100 20.299 -0.199 1
1 169 . 18 1 1 A 15 15 ALA N N 15 118.500 123.037 -4.537 1
1 170 . 18 1 1 A 16 16 SER H H 16 7.480 7.687 -0.207 1
1 171 . 18 1 1 A 16 16 SER HA H 16 5.390 4.720 0.670 1
1 174 . 18 1 1 A 16 16 SER C C 16 174.600 173.789 0.811 1
1 175 . 18 1 1 A 16 16 SER CA C 16 55.600 56.728 -1.128 1
1 176 . 18 1 1 A 16 16 SER CB C 16 67.400 65.531 1.869 1
1 177 . 18 1 1 A 16 16 SER N N 16 112.400 112.173 0.227 1
1 178 . 18 1 1 A 17 17 VAL H H 17 8.810 8.567 0.243 1
1 179 . 18 1 1 A 17 17 VAL HA H 17 3.120 3.555 -0.435 1
1 187 . 18 1 1 A 17 17 VAL C C 17 176.500 177.354 -0.854 1
1 188 . 18 1 1 A 17 17 VAL CA C 17 66.900 66.265 0.635 1
1 189 . 18 1 1 A 17 17 VAL CB C 17 31.300 31.566 -0.266 1
1 192 . 18 1 1 A 17 17 VAL N N 17 122.400 126.181 -3.781 1
1 193 . 18 1 1 A 18 18 ALA H H 18 7.460 8.360 -0.900 1
1 194 . 18 1 1 A 18 18 ALA HA H 18 4.000 4.117 -0.117 1
1 198 . 18 1 1 A 18 18 ALA C C 18 179.600 179.479 0.121 1
1 199 . 18 1 1 A 18 18 ALA CA C 18 55.300 55.878 -0.578 1
1 200 . 18 1 1 A 18 18 ALA CB C 18 18.800 18.111 0.689 1
1 201 . 18 1 1 A 18 18 ALA N N 18 119.300 122.262 -2.962 1
1 202 . 18 1 1 A 19 19 ALA H H 19 7.620 7.889 -0.269 1
1 203 . 18 1 1 A 19 19 ALA HA H 19 4.130 4.129 0.001 1
1 207 . 18 1 1 A 19 19 ALA C C 19 179.500 180.138 -0.638 1
1 208 . 18 1 1 A 19 19 ALA CA C 19 55.000 55.096 -0.096 1
1 209 . 18 1 1 A 19 19 ALA CB C 19 17.400 17.706 -0.306 1
1 210 . 18 1 1 A 19 19 ALA N N 19 120.000 120.801 -0.801 1
1 211 . 18 1 1 A 20 20 LEU H H 20 8.260 8.110 0.150 1
1 212 . 18 1 1 A 20 20 LEU HA H 20 4.120 4.087 0.033 1
1 221 . 18 1 1 A 20 20 LEU C C 20 177.700 178.504 -0.804 1
1 222 . 18 1 1 A 20 20 LEU CA C 20 57.500 57.758 -0.258 1
1 223 . 18 1 1 A 20 20 LEU CB C 20 42.000 41.531 0.469 1
1 226 . 18 1 1 A 20 20 LEU N N 20 121.900 120.153 1.747 1
1 227 . 18 1 1 A 21 21 MET H H 21 8.020 8.249 -0.229 1
1 228 . 18 1 1 A 21 21 MET HA H 21 4.130 4.187 -0.057 1
1 230 . 18 1 1 A 21 21 MET C C 21 179.300 178.261 1.039 1
1 231 . 18 1 1 A 21 21 MET CA C 21 57.000 58.559 -1.559 1
1 232 . 18 1 1 A 21 21 MET CB C 21 30.300 31.845 -1.545 1
1 233 . 18 1 1 A 21 21 MET N N 21 115.800 119.196 -3.396 1
1 234 . 18 1 1 A 22 22 THR H H 22 7.380 7.793 -0.413 1
1 235 . 18 1 1 A 22 22 THR HA H 22 3.950 3.988 -0.038 1
1 240 . 18 1 1 A 22 22 THR C C 22 177.300 175.986 1.314 1
1 241 . 18 1 1 A 22 22 THR CA C 22 66.600 67.284 -0.684 1
1 242 . 18 1 1 A 22 22 THR CB C 22 68.200 68.274 -0.074 1
1 244 . 18 1 1 A 22 22 THR N N 22 116.500 115.321 1.179 1
1 245 . 18 1 1 A 23 23 GLU H H 23 8.650 8.169 0.481 1
1 246 . 18 1 1 A 23 23 GLU HA H 23 3.960 4.091 -0.131 1
1 251 . 18 1 1 A 23 23 GLU C C 23 177.900 178.366 -0.466 1
1 252 . 18 1 1 A 23 23 GLU CA C 23 59.500 58.656 0.844 1
1 253 . 18 1 1 A 23 23 GLU CB C 23 29.600 29.599 0.001 1
1 255 . 18 1 1 A 23 23 GLU N N 23 128.000 121.148 6.852 1
1 256 . 18 1 1 A 24 24 LEU H H 24 8.140 7.897 0.243 1
1 257 . 18 1 1 A 24 24 LEU HA H 24 4.200 4.284 -0.084 1
1 266 . 18 1 1 A 24 24 LEU C C 24 175.800 175.962 -0.162 1
1 267 . 18 1 1 A 24 24 LEU CA C 24 54.200 54.922 -0.722 1
1 268 . 18 1 1 A 24 24 LEU CB C 24 41.900 41.918 -0.018 1
1 271 . 18 1 1 A 24 24 LEU N N 24 115.900 118.130 -2.230 1
1 272 . 18 1 1 A 25 25 ASP H H 25 7.980 8.105 -0.125 1
1 273 . 18 1 1 A 25 25 ASP HA H 25 4.440 4.325 0.115 1
1 276 . 18 1 1 A 25 25 ASP C C 25 175.800 176.076 -0.276 1
1 277 . 18 1 1 A 25 25 ASP CA C 25 55.200 55.559 -0.359 1
1 278 . 18 1 1 A 25 25 ASP CB C 25 39.400 40.388 -0.988 1
1 279 . 18 1 1 A 25 25 ASP N N 25 118.400 118.353 0.047 1
1 280 . 18 1 1 A 26 26 CYS H H 26 8.510 7.790 0.720 1
1 281 . 18 1 1 A 26 26 CYS HA H 26 4.460 4.713 -0.253 1
1 284 . 18 1 1 A 26 26 CYS C C 26 174.300 174.501 -0.201 1
1 285 . 18 1 1 A 26 26 CYS CA C 26 58.500 58.398 0.102 1
1 286 . 18 1 1 A 26 26 CYS CB C 26 27.100 27.596 -0.496 1
1 287 . 18 1 1 A 26 26 CYS N N 26 117.000 117.914 -0.914 1
1 288 . 18 1 1 A 27 27 THR H H 27 7.810 7.601 0.209 1
1 289 . 18 1 1 A 27 27 THR HA H 27 4.450 4.136 0.314 1
1 291 . 18 1 1 A 27 27 THR CA C 27 62.200 64.930 -2.730 1
1 292 . 18 1 1 A 27 27 THR CB C 27 69.400 68.641 0.759 1
1 293 . 18 1 1 A 27 27 THR N N 27 107.800 116.354 -8.554 1
1 294 . 18 1 1 A 29 29 GLY H H 29 8.440 8.376 0.064 1
1 295 . 18 1 1 A 29 29 GLY HA2 H 29 3.890 3.755 0.135 1
1 296 . 18 1 1 A 29 29 GLY HA3 H 29 3.970 3.929 0.041 1
1 297 . 18 1 1 A 29 29 GLY C C 29 173.800 175.109 -1.309 1
1 298 . 18 1 1 A 29 29 GLY CA C 29 45.800 45.588 0.212 1
1 299 . 18 1 1 A 29 29 GLY N N 29 108.100 109.137 -1.037 1
1 300 . 18 1 1 A 30 30 HIS H H 30 8.210 8.122 0.088 1
1 301 . 18 1 1 A 30 30 HIS HA H 30 4.650 4.476 0.174 1
1 305 . 18 1 1 A 30 30 HIS C C 30 173.500 175.107 -1.607 1
1 306 . 18 1 1 A 30 30 HIS CA C 30 55.600 58.230 -2.630 1
1 307 . 18 1 1 A 30 30 HIS CB C 30 28.700 30.113 -1.413 1
1 309 . 18 1 1 A 30 30 HIS N N 30 117.300 117.432 -0.132 1
1 310 . 18 1 1 A 31 31 PHE H H 31 7.520 8.183 -0.663 1
1 311 . 18 1 1 A 31 31 PHE HA H 31 5.050 4.837 0.213 1
1 316 . 18 1 1 A 31 31 PHE C C 31 175.200 175.712 -0.512 1
1 317 . 18 1 1 A 31 31 PHE CA C 31 58.000 57.583 0.417 1
1 318 . 18 1 1 A 31 31 PHE CB C 31 41.200 40.915 0.285 1
1 321 . 18 1 1 A 31 31 PHE N N 31 117.000 116.457 0.543 1
1 322 . 18 1 1 A 32 32 ALA H H 32 9.010 8.970 0.040 1
1 323 . 18 1 1 A 32 32 ALA HA H 32 5.010 5.480 -0.470 1
1 327 . 18 1 1 A 32 32 ALA C C 32 174.800 177.232 -2.432 1
1 328 . 18 1 1 A 32 32 ALA CA C 32 50.400 50.766 -0.366 1
1 329 . 18 1 1 A 32 32 ALA CB C 32 22.500 21.773 0.727 1
1 330 . 18 1 1 A 32 32 ALA N N 32 123.800 124.339 -0.539 1
1 331 . 18 1 1 A 33 33 VAL H H 33 9.350 8.939 0.411 1
1 332 . 18 1 1 A 33 33 VAL HA H 33 5.130 5.140 -0.010 1
1 340 . 18 1 1 A 33 33 VAL C C 33 172.400 174.188 -1.788 1
1 341 . 18 1 1 A 33 33 VAL CA C 33 59.700 59.106 0.594 1
1 342 . 18 1 1 A 33 33 VAL CB C 33 35.000 35.495 -0.495 1
1 345 . 18 1 1 A 33 33 VAL N N 33 120.200 112.281 7.919 1
1 346 . 18 1 1 A 34 34 ALA H H 34 9.100 8.586 0.514 1
1 347 . 18 1 1 A 34 34 ALA HA H 34 5.130 5.462 -0.332 1
1 351 . 18 1 1 A 34 34 ALA C C 34 174.900 174.937 -0.037 1
1 352 . 18 1 1 A 34 34 ALA CA C 34 49.600 50.665 -1.065 1
1 353 . 18 1 1 A 34 34 ALA CB C 34 21.200 22.408 -1.208 1
1 354 . 18 1 1 A 34 34 ALA N N 34 127.800 124.027 3.773 1
1 355 . 18 1 1 A 35 35 LEU H H 35 8.680 9.155 -0.475 1
1 356 . 18 1 1 A 35 35 LEU HA H 35 4.750 4.782 -0.032 1
1 366 . 18 1 1 A 35 35 LEU C C 35 175.700 175.790 -0.090 1
1 367 . 18 1 1 A 35 35 LEU CA C 35 53.200 53.570 -0.370 1
1 368 . 18 1 1 A 35 35 LEU CB C 35 45.600 44.694 0.906 1
1 372 . 18 1 1 A 35 35 LEU N N 35 125.000 125.032 -0.032 1
1 373 . 18 1 1 A 36 36 ASN H H 36 9.960 9.488 0.472 1
1 374 . 18 1 1 A 36 36 ASN HA H 36 3.890 4.468 -0.578 1
1 379 . 18 1 1 A 36 36 ASN C C 36 174.500 175.095 -0.595 1
1 380 . 18 1 1 A 36 36 ASN CA C 36 54.900 54.715 0.185 1
1 381 . 18 1 1 A 36 36 ASN CB C 36 36.800 37.064 -0.264 1
1 382 . 18 1 1 A 36 36 ASN N N 36 127.300 125.964 1.336 1
1 384 . 18 1 1 A 37 37 TYR H H 37 8.750 8.648 0.102 1
1 385 . 18 1 1 A 37 37 TYR HA H 37 3.720 4.228 -0.508 1
1 392 . 18 1 1 A 37 37 TYR C C 37 174.100 174.313 -0.213 1
1 393 . 18 1 1 A 37 37 TYR CA C 37 59.900 58.942 0.958 1
1 394 . 18 1 1 A 37 37 TYR CB C 37 35.300 37.093 -1.793 1
1 399 . 18 1 1 A 37 37 TYR N N 37 107.500 116.115 -8.615 1
1 400 . 18 1 1 A 38 38 ASP H H 38 7.590 7.757 -0.167 1
1 401 . 18 1 1 A 38 38 ASP HA H 38 5.090 4.890 0.200 1
1 404 . 18 1 1 A 38 38 ASP C C 38 175.400 174.465 0.935 1
1 405 . 18 1 1 A 38 38 ASP CA C 38 53.100 53.483 -0.383 1
1 406 . 18 1 1 A 38 38 ASP CB C 38 42.900 44.421 -1.521 1
1 407 . 18 1 1 A 38 38 ASP N N 38 119.900 119.284 0.616 1
1 408 . 18 1 1 A 39 39 VAL H H 39 8.590 8.705 -0.115 1
1 409 . 18 1 1 A 39 39 VAL HA H 39 4.220 4.404 -0.184 1
1 417 . 18 1 1 A 39 39 VAL C C 39 176.600 175.380 1.220 1
1 418 . 18 1 1 A 39 39 VAL CA C 39 63.600 62.956 0.644 1
1 419 . 18 1 1 A 39 39 VAL CB C 39 31.700 32.008 -0.308 1
1 422 . 18 1 1 A 39 39 VAL N N 39 124.300 125.872 -1.572 1
1 423 . 18 1 1 A 40 40 VAL H H 40 8.970 8.616 0.354 1
1 424 . 18 1 1 A 40 40 VAL HA H 40 4.600 4.597 0.003 1
1 432 . 18 1 1 A 40 40 VAL CA C 40 59.100 58.747 0.353 1
1 433 . 18 1 1 A 40 40 VAL CB C 40 32.500 33.817 -1.317 1
1 436 . 18 1 1 A 40 40 VAL N N 40 130.800 126.996 3.804 1
1 437 . 18 1 1 A 41 41 PRO HA H 41 4.580 4.707 -0.127 1
1 444 . 18 1 1 A 41 41 PRO C C 41 177.700 177.722 -0.022 1
1 445 . 18 1 1 A 41 41 PRO CA C 41 62.800 62.529 0.271 1
1 446 . 18 1 1 A 41 41 PRO CB C 41 32.300 32.703 -0.403 1
1 449 . 18 1 1 A 42 42 ARG H H 42 8.640 8.222 0.418 1
1 450 . 18 1 1 A 42 42 ARG HA H 42 1.890 1.839 0.051 1
1 458 . 18 1 1 A 42 42 ARG C C 42 178.800 176.285 2.515 1
1 459 . 18 1 1 A 42 42 ARG CA C 42 58.100 57.140 0.960 1
1 460 . 18 1 1 A 42 42 ARG CB C 42 29.600 28.698 0.902 1
1 462 . 18 1 1 A 42 42 ARG N N 42 124.000 122.348 1.652 1
1 464 . 18 1 1 A 43 43 GLY H H 43 8.690 7.960 0.730 1
1 465 . 18 1 1 A 43 43 GLY HA2 H 43 3.770 3.855 -0.085 1
1 466 . 18 1 1 A 43 43 GLY HA3 H 43 3.870 3.882 -0.012 1
1 467 . 18 1 1 A 43 43 GLY C C 43 174.600 174.491 0.109 1
1 468 . 18 1 1 A 43 43 GLY CA C 43 45.800 45.520 0.280 1
1 469 . 18 1 1 A 43 43 GLY N N 43 106.000 108.773 -2.773 1
1 470 . 18 1 1 A 44 44 LYS H H 44 8.260 8.167 0.093 1
1 471 . 18 1 1 A 44 44 LYS HA H 44 4.840 4.548 0.292 1
1 480 . 18 1 1 A 44 44 LYS C C 44 179.200 177.113 2.087 1
1 481 . 18 1 1 A 44 44 LYS CA C 44 54.500 55.658 -1.158 1
1 482 . 18 1 1 A 44 44 LYS CB C 44 32.900 32.901 -0.001 1
1 486 . 18 1 1 A 44 44 LYS N N 44 115.900 118.051 -2.151 1
1 487 . 18 1 1 A 45 45 TRP H H 45 8.120 7.805 0.315 1
1 488 . 18 1 1 A 45 45 TRP HA H 45 4.350 4.399 -0.049 1
1 497 . 18 1 1 A 45 45 TRP C C 45 178.400 178.399 0.001 1
1 498 . 18 1 1 A 45 45 TRP CA C 45 60.500 59.945 0.555 1
1 499 . 18 1 1 A 45 45 TRP CB C 45 28.500 29.055 -0.555 1
1 505 . 18 1 1 A 45 45 TRP N N 45 124.800 120.572 4.228 1
1 507 . 18 1 1 A 46 46 ASP H H 46 8.950 8.599 0.351 1
1 508 . 18 1 1 A 46 46 ASP HA H 46 4.460 4.473 -0.013 1
1 511 . 18 1 1 A 46 46 ASP C C 46 176.800 177.758 -0.958 1
1 512 . 18 1 1 A 46 46 ASP CA C 46 56.900 57.576 -0.676 1
1 513 . 18 1 1 A 46 46 ASP CB C 46 40.400 40.991 -0.591 1
1 514 . 18 1 1 A 46 46 ASP N N 46 117.400 121.013 -3.613 1
1 515 . 18 1 1 A 47 47 GLU H H 47 7.530 7.817 -0.287 1
1 516 . 18 1 1 A 47 47 GLU HA H 47 4.580 4.371 0.209 1
1 521 . 18 1 1 A 47 47 GLU C C 47 175.500 175.069 0.431 1
1 522 . 18 1 1 A 47 47 GLU CA C 47 55.300 56.842 -1.542 1
1 523 . 18 1 1 A 47 47 GLU CB C 47 30.800 30.201 0.599 1
1 525 . 18 1 1 A 47 47 GLU N N 47 114.500 116.805 -2.305 1
1 526 . 18 1 1 A 48 48 THR H H 48 7.230 7.266 -0.036 1
1 527 . 18 1 1 A 48 48 THR HA H 48 4.700 4.800 -0.100 1
1 532 . 18 1 1 A 48 48 THR CA C 48 60.800 58.948 1.852 1
1 533 . 18 1 1 A 48 48 THR CB C 48 70.100 70.145 -0.045 1
1 534 . 18 1 1 A 48 48 THR N N 48 119.900 115.357 4.543 1
1 535 . 18 1 1 A 49 49 PRO HA H 49 4.890 4.653 0.237 1
1 542 . 18 1 1 A 49 49 PRO C C 49 175.400 175.266 0.134 1
1 543 . 18 1 1 A 49 49 PRO CA C 49 62.100 62.676 -0.576 1
1 544 . 18 1 1 A 49 49 PRO CB C 49 32.900 32.477 0.423 1
1 547 . 18 1 1 A 50 50 VAL H H 50 6.960 8.334 -1.374 1
1 548 . 18 1 1 A 50 50 VAL HA H 50 4.030 4.757 -0.727 1
1 556 . 18 1 1 A 50 50 VAL C C 50 173.800 174.685 -0.885 1
1 557 . 18 1 1 A 50 50 VAL CA C 50 61.400 60.480 0.920 1
1 558 . 18 1 1 A 50 50 VAL CB C 50 33.900 33.924 -0.024 1
1 561 . 18 1 1 A 50 50 VAL N N 50 119.400 121.063 -1.663 1
1 562 . 18 1 1 A 51 51 THR H H 51 8.940 8.809 0.131 1
1 563 . 18 1 1 A 51 51 THR HA H 51 4.460 4.823 -0.363 1
1 568 . 18 1 1 A 51 51 THR C C 51 172.300 174.206 -1.906 1
1 569 . 18 1 1 A 51 51 THR CA C 51 60.600 61.044 -0.444 1
1 570 . 18 1 1 A 51 51 THR CB C 51 71.000 70.881 0.119 1
1 571 . 18 1 1 A 51 51 THR N N 51 122.600 124.180 -1.580 1
1 572 . 18 1 1 A 52 52 ALA H H 52 8.150 8.582 -0.432 1
1 573 . 18 1 1 A 52 52 ALA HA H 52 3.940 3.961 -0.021 1
1 577 . 18 1 1 A 52 52 ALA C C 52 179.100 178.057 1.043 1
1 578 . 18 1 1 A 52 52 ALA CA C 52 53.700 53.904 -0.204 1
1 579 . 18 1 1 A 52 52 ALA CB C 52 18.200 18.400 -0.200 1
1 580 . 18 1 1 A 52 52 ALA N N 52 125.400 129.040 -3.640 1
1 581 . 18 1 1 A 53 53 GLY H H 53 9.160 8.741 0.419 1
1 582 . 18 1 1 A 53 53 GLY HA2 H 53 3.670 4.044 -0.374 1
1 583 . 18 1 1 A 53 53 GLY HA3 H 53 4.310 4.046 0.264 1
1 584 . 18 1 1 A 53 53 GLY C C 53 174.900 174.641 0.259 1
1 585 . 18 1 1 A 53 53 GLY CA C 53 44.700 45.313 -0.613 1
1 586 . 18 1 1 A 53 53 GLY N N 53 111.000 111.144 -0.144 1
1 587 . 18 1 1 A 54 54 ASP H H 54 8.180 8.148 0.032 1
1 588 . 18 1 1 A 54 54 ASP HA H 54 4.700 4.648 0.052 1
1 591 . 18 1 1 A 54 54 ASP C C 54 174.600 175.699 -1.099 1
1 592 . 18 1 1 A 54 54 ASP CA C 54 56.100 55.170 0.930 1
1 593 . 18 1 1 A 54 54 ASP CB C 54 41.800 41.672 0.128 1
1 594 . 18 1 1 A 54 54 ASP N N 54 122.700 121.912 0.788 1
1 595 . 18 1 1 A 55 55 GLU H H 55 8.160 8.541 -0.381 1
1 596 . 18 1 1 A 55 55 GLU HA H 55 4.730 4.666 0.064 1
1 601 . 18 1 1 A 55 55 GLU C C 55 175.000 175.444 -0.444 1
1 602 . 18 1 1 A 55 55 GLU CA C 55 55.100 56.141 -1.041 1
1 603 . 18 1 1 A 55 55 GLU CB C 55 30.500 30.538 -0.038 1
1 605 . 18 1 1 A 55 55 GLU N N 55 118.800 121.754 -2.954 1
1 606 . 18 1 1 A 56 56 ILE H H 56 9.320 8.953 0.367 1
1 607 . 18 1 1 A 56 56 ILE HA H 56 4.950 5.086 -0.136 1
1 617 . 18 1 1 A 56 56 ILE C C 56 175.100 174.970 0.130 1
1 618 . 18 1 1 A 56 56 ILE CA C 56 59.800 59.963 -0.163 1
1 619 . 18 1 1 A 56 56 ILE CB C 56 40.200 40.464 -0.264 1
1 623 . 18 1 1 A 56 56 ILE N N 56 127.400 126.156 1.244 1
1 624 . 18 1 1 A 57 57 GLU H H 57 9.170 8.729 0.441 1
1 625 . 18 1 1 A 57 57 GLU HA H 57 5.000 5.059 -0.059 1
1 630 . 18 1 1 A 57 57 GLU C C 57 174.100 175.042 -0.942 1
1 631 . 18 1 1 A 57 57 GLU CA C 57 54.400 54.391 0.009 1
1 632 . 18 1 1 A 57 57 GLU CB C 57 32.900 33.402 -0.502 1
1 634 . 18 1 1 A 57 57 GLU N N 57 129.600 126.189 3.411 1
1 635 . 18 1 1 A 58 58 ILE H H 58 9.500 8.942 0.558 1
1 636 . 18 1 1 A 58 58 ILE HA H 58 4.610 4.792 -0.182 1
1 646 . 18 1 1 A 58 58 ILE C C 58 175.900 175.486 0.414 1
1 647 . 18 1 1 A 58 58 ILE CA C 58 59.900 59.312 0.588 1
1 648 . 18 1 1 A 58 58 ILE CB C 58 37.800 38.990 -1.190 1
1 652 . 18 1 1 A 58 58 ILE N N 58 126.500 124.290 2.210 1
1 653 . 18 1 1 A 59 59 LEU H H 59 9.150 8.541 0.609 1
1 654 . 18 1 1 A 59 59 LEU HA H 59 4.840 4.559 0.281 1
1 663 . 18 1 1 A 59 59 LEU C C 59 175.800 176.502 -0.702 1
1 664 . 18 1 1 A 59 59 LEU CA C 59 53.800 54.833 -1.033 1
1 665 . 18 1 1 A 59 59 LEU CB C 59 44.300 42.432 1.868 1
1 668 . 18 1 1 A 59 59 LEU N N 59 129.800 128.577 1.223 1
1 669 . 18 1 1 A 60 60 THR H H 60 8.470 8.919 -0.449 1
1 673 . 18 1 1 A 60 60 THR CA C 60 58.200 58.677 -0.477 1
1 674 . 18 1 1 A 60 60 THR CB C 60 69.900 69.214 0.686 1
1 676 . 18 1 1 A 60 60 THR N N 60 114.300 114.823 -0.523 1
1 677 . 18 1 1 A 61 61 PRO HA H 61 4.400 4.683 -0.283 1
1 680 . 18 1 1 A 61 61 PRO CA C 61 63.200 62.500 0.700 1
1 681 . 18 1 1 A 61 61 PRO CB C 61 32.100 32.725 -0.625 1
1 682 . 18 1 1 A 62 62 ARG HA H 62 4.260 3.805 0.455 1
1 689 . 18 1 1 A 62 62 ARG C C 62 176.500 176.046 0.454 1
1 690 . 18 1 1 A 62 62 ARG CA C 62 56.500 57.116 -0.616 1
1 691 . 18 1 1 A 62 62 ARG CB C 62 30.500 27.574 2.926 1
1 694 . 18 1 1 A 63 63 GLN H H 63 8.500 8.474 0.026 1
1 695 . 18 1 1 A 63 63 GLN HA H 63 4.250 4.405 -0.155 1
1 702 . 18 1 1 A 63 63 GLN C C 63 176.400 176.380 0.020 1
1 703 . 18 1 1 A 63 63 GLN CA C 63 56.000 55.567 0.433 1
1 704 . 18 1 1 A 63 63 GLN CB C 63 29.200 28.749 0.451 1
1 706 . 18 1 1 A 63 63 GLN N N 63 121.700 117.661 4.039 1
1 708 . 18 1 1 A 64 64 GLY H H 64 8.330 8.114 0.216 1
1 709 . 18 1 1 A 64 64 GLY HA2 H 64 3.940 3.881 0.059 1
1 710 . 18 1 1 A 64 64 GLY HA3 H 64 3.940 3.882 0.058 1
1 711 . 18 1 1 A 64 64 GLY C C 64 174.500 174.838 -0.338 1
1 712 . 18 1 1 A 64 64 GLY CA C 64 45.300 46.348 -1.048 1
1 713 . 18 1 1 A 64 64 GLY N N 64 110.100 107.457 2.643 1
1 714 . 18 1 1 A 65 65 GLY H H 65 8.260 8.530 -0.270 1
1 715 . 18 1 1 A 65 65 GLY HA2 H 65 3.940 3.923 0.017 1
1 716 . 18 1 1 A 65 65 GLY HA3 H 65 3.940 3.943 -0.003 1
1 717 . 18 1 1 A 65 65 GLY C C 65 174.200 175.176 -0.976 1
1 718 . 18 1 1 A 65 65 GLY CA C 65 45.200 46.534 -1.334 1
1 719 . 18 1 1 A 65 65 GLY N N 65 108.500 108.432 0.068 1
1 720 . 18 1 1 A 66 66 LEU H H 66 8.200 7.955 0.245 1
1 721 . 18 1 1 A 66 66 LEU HA H 66 4.250 4.262 -0.012 1
1 730 . 18 1 1 A 66 66 LEU C C 66 177.400 176.088 1.312 1
1 731 . 18 1 1 A 66 66 LEU CA C 66 55.200 54.849 0.351 1
1 732 . 18 1 1 A 66 66 LEU CB C 66 42.300 41.779 0.521 1
1 736 . 18 1 1 A 66 66 LEU N N 66 121.200 117.483 3.717 1
1 737 . 18 1 1 A 67 67 GLU H H 67 8.460 7.929 0.531 1
1 738 . 18 1 1 A 67 67 GLU HA H 67 4.170 3.924 0.246 1
1 743 . 18 1 1 A 67 67 GLU CA C 67 56.500 57.021 -0.521 1
1 744 . 18 1 1 A 67 67 GLU CB C 67 30.000 28.311 1.689 1
1 2 . 19 1 1 A 2 2 LEU H H 2 8.810 7.404 1.406 1
1 3 . 19 1 1 A 2 2 LEU HA H 2 4.930 4.247 0.683 1
1 12 . 19 1 1 A 2 2 LEU C C 2 175.900 176.353 -0.453 1
1 13 . 19 1 1 A 2 2 LEU CA C 2 55.100 54.613 0.487 1
1 14 . 19 1 1 A 2 2 LEU CB C 2 42.600 42.569 0.031 1
1 17 . 19 1 1 A 2 2 LEU N N 2 127.000 121.329 5.671 1
1 18 . 19 1 1 A 3 3 VAL H H 3 8.670 9.383 -0.713 1
1 19 . 19 1 1 A 3 3 VAL HA H 3 4.580 4.843 -0.263 1
1 27 . 19 1 1 A 3 3 VAL C C 3 174.000 174.631 -0.631 1
1 28 . 19 1 1 A 3 3 VAL CA C 3 59.400 59.703 -0.303 1
1 29 . 19 1 1 A 3 3 VAL CB C 3 35.500 34.497 1.003 1
1 32 . 19 1 1 A 3 3 VAL N N 3 119.900 119.326 0.574 1
1 33 . 19 1 1 A 4 4 THR H H 4 8.310 8.879 -0.569 1
1 34 . 19 1 1 A 4 4 THR HA H 4 4.850 4.702 0.148 1
1 39 . 19 1 1 A 4 4 THR C C 4 173.600 173.958 -0.358 1
1 40 . 19 1 1 A 4 4 THR CA C 4 61.700 62.222 -0.522 1
1 41 . 19 1 1 A 4 4 THR CB C 4 69.500 68.898 0.602 1
1 43 . 19 1 1 A 4 4 THR N N 4 116.000 121.012 -5.012 1
1 44 . 19 1 1 A 5 5 ILE H H 5 9.060 9.429 -0.369 1
1 45 . 19 1 1 A 5 5 ILE HA H 5 4.830 4.779 0.051 1
1 55 . 19 1 1 A 5 5 ILE C C 5 176.100 175.972 0.128 1
1 56 . 19 1 1 A 5 5 ILE CA C 5 59.400 60.448 -1.048 1
1 57 . 19 1 1 A 5 5 ILE CB C 5 39.300 39.819 -0.519 1
1 61 . 19 1 1 A 5 5 ILE N N 5 125.000 127.238 -2.238 1
1 62 . 19 1 1 A 6 6 ASN H H 6 9.480 9.001 0.479 1
1 63 . 19 1 1 A 6 6 ASN HA H 6 4.510 4.471 0.039 1
1 68 . 19 1 1 A 6 6 ASN C C 6 175.700 175.589 0.111 1
1 69 . 19 1 1 A 6 6 ASN CA C 6 54.100 54.678 -0.578 1
1 70 . 19 1 1 A 6 6 ASN CB C 6 36.100 37.262 -1.162 1
1 71 . 19 1 1 A 6 6 ASN N N 6 129.500 127.772 1.728 1
1 73 . 19 1 1 A 7 7 GLY H H 7 8.860 8.642 0.218 1
1 74 . 19 1 1 A 7 7 GLY HA2 H 7 3.560 3.879 -0.319 1
1 75 . 19 1 1 A 7 7 GLY HA3 H 7 4.180 3.880 0.300 1
1 76 . 19 1 1 A 7 7 GLY C C 7 173.500 173.729 -0.229 1
1 77 . 19 1 1 A 7 7 GLY CA C 7 45.300 45.586 -0.286 1
1 78 . 19 1 1 A 7 7 GLY N N 7 102.200 103.649 -1.449 1
1 79 . 19 1 1 A 8 8 GLU H H 8 7.790 8.170 -0.380 1
1 80 . 19 1 1 A 8 8 GLU HA H 8 4.690 4.781 -0.091 1
1 85 . 19 1 1 A 8 8 GLU C C 8 175.300 175.524 -0.224 1
1 86 . 19 1 1 A 8 8 GLU CA C 8 54.200 54.813 -0.613 1
1 87 . 19 1 1 A 8 8 GLU CB C 8 32.300 32.285 0.015 1
1 89 . 19 1 1 A 8 8 GLU N N 8 120.900 120.029 0.871 1
1 90 . 19 1 1 A 9 9 GLN H H 9 8.940 8.642 0.298 1
1 91 . 19 1 1 A 9 9 GLN HA H 9 4.770 4.721 0.049 1
1 96 . 19 1 1 A 9 9 GLN C C 9 176.000 175.187 0.813 1
1 97 . 19 1 1 A 9 9 GLN CA C 9 56.900 56.026 0.874 1
1 98 . 19 1 1 A 9 9 GLN CB C 9 29.300 29.058 0.242 1
1 100 . 19 1 1 A 9 9 GLN N N 9 125.800 123.470 2.330 1
1 101 . 19 1 1 A 10 10 ARG H H 10 9.230 8.945 0.285 1
1 102 . 19 1 1 A 10 10 ARG HA H 10 4.580 4.918 -0.338 1
1 110 . 19 1 1 A 10 10 ARG C C 10 173.300 173.474 -0.174 1
1 111 . 19 1 1 A 10 10 ARG CA C 10 54.400 54.508 -0.108 1
1 112 . 19 1 1 A 10 10 ARG CB C 10 34.400 34.609 -0.209 1
1 115 . 19 1 1 A 10 10 ARG N N 10 125.200 123.728 1.472 1
1 117 . 19 1 1 A 11 11 GLU H H 11 8.380 8.947 -0.567 1
1 118 . 19 1 1 A 11 11 GLU HA H 11 4.860 5.066 -0.206 1
1 123 . 19 1 1 A 11 11 GLU C C 11 176.900 175.452 1.448 1
1 124 . 19 1 1 A 11 11 GLU CA C 11 54.800 55.097 -0.297 1
1 125 . 19 1 1 A 11 11 GLU CB C 11 30.000 32.697 -2.697 1
1 127 . 19 1 1 A 11 11 GLU N N 11 123.300 125.372 -2.072 1
1 128 . 19 1 1 A 12 12 VAL H H 12 9.070 8.995 0.075 1
1 129 . 19 1 1 A 12 12 VAL HA H 12 4.870 4.793 0.077 1
1 137 . 19 1 1 A 12 12 VAL C C 12 175.200 175.193 0.007 1
1 138 . 19 1 1 A 12 12 VAL CA C 12 58.600 58.886 -0.286 1
1 139 . 19 1 1 A 12 12 VAL CB C 12 34.400 35.240 -0.840 1
1 142 . 19 1 1 A 12 12 VAL N N 12 119.600 120.798 -1.198 1
1 143 . 19 1 1 A 13 13 GLN H H 13 10.260 8.442 1.818 1
1 144 . 19 1 1 A 13 13 GLN HA H 13 4.550 4.510 0.040 1
1 149 . 19 1 1 A 13 13 GLN C C 13 177.700 176.374 1.326 1
1 150 . 19 1 1 A 13 13 GLN CA C 13 55.200 55.116 0.084 1
1 151 . 19 1 1 A 13 13 GLN CB C 13 30.000 28.818 1.182 1
1 152 . 19 1 1 A 13 13 GLN N N 13 120.900 120.285 0.615 1
1 153 . 19 1 1 A 14 14 SER H H 14 8.190 7.706 0.484 1
1 154 . 19 1 1 A 14 14 SER HA H 14 4.100 4.313 -0.213 1
1 157 . 19 1 1 A 14 14 SER C C 14 171.700 174.767 -3.067 1
1 158 . 19 1 1 A 14 14 SER CA C 14 61.000 58.577 2.423 1
1 159 . 19 1 1 A 14 14 SER CB C 14 65.300 64.023 1.277 1
1 160 . 19 1 1 A 14 14 SER N N 14 118.500 117.635 0.865 1
1 161 . 19 1 1 A 15 15 ALA H H 15 8.320 8.753 -0.433 1
1 162 . 19 1 1 A 15 15 ALA HA H 15 4.610 4.495 0.115 1
1 166 . 19 1 1 A 15 15 ALA C C 15 177.900 177.054 0.846 1
1 167 . 19 1 1 A 15 15 ALA CA C 15 51.200 52.136 -0.936 1
1 168 . 19 1 1 A 15 15 ALA CB C 15 20.100 20.038 0.062 1
1 169 . 19 1 1 A 15 15 ALA N N 15 118.500 124.725 -6.225 1
1 170 . 19 1 1 A 16 16 SER H H 16 7.480 7.678 -0.198 1
1 171 . 19 1 1 A 16 16 SER HA H 16 5.390 4.665 0.725 1
1 174 . 19 1 1 A 16 16 SER C C 16 174.600 173.493 1.107 1
1 175 . 19 1 1 A 16 16 SER CA C 16 55.600 56.892 -1.292 1
1 176 . 19 1 1 A 16 16 SER CB C 16 67.400 64.943 2.457 1
1 177 . 19 1 1 A 16 16 SER N N 16 112.400 112.064 0.336 1
1 178 . 19 1 1 A 17 17 VAL H H 17 8.810 8.506 0.304 1
1 179 . 19 1 1 A 17 17 VAL HA H 17 3.120 3.548 -0.428 1
1 187 . 19 1 1 A 17 17 VAL C C 17 176.500 177.421 -0.921 1
1 188 . 19 1 1 A 17 17 VAL CA C 17 66.900 66.297 0.603 1
1 189 . 19 1 1 A 17 17 VAL CB C 17 31.300 31.560 -0.260 1
1 192 . 19 1 1 A 17 17 VAL N N 17 122.400 125.862 -3.462 1
1 193 . 19 1 1 A 18 18 ALA H H 18 7.460 8.735 -1.275 1
1 194 . 19 1 1 A 18 18 ALA HA H 18 4.000 4.122 -0.122 1
1 198 . 19 1 1 A 18 18 ALA C C 18 179.600 179.616 -0.016 1
1 199 . 19 1 1 A 18 18 ALA CA C 18 55.300 55.933 -0.633 1
1 200 . 19 1 1 A 18 18 ALA CB C 18 18.800 18.039 0.761 1
1 201 . 19 1 1 A 18 18 ALA N N 18 119.300 122.295 -2.995 1
1 202 . 19 1 1 A 19 19 ALA H H 19 7.620 7.904 -0.284 1
1 203 . 19 1 1 A 19 19 ALA HA H 19 4.130 4.123 0.007 1
1 207 . 19 1 1 A 19 19 ALA C C 19 179.500 180.161 -0.661 1
1 208 . 19 1 1 A 19 19 ALA CA C 19 55.000 55.128 -0.128 1
1 209 . 19 1 1 A 19 19 ALA CB C 19 17.400 17.671 -0.271 1
1 210 . 19 1 1 A 19 19 ALA N N 19 120.000 120.607 -0.607 1
1 211 . 19 1 1 A 20 20 LEU H H 20 8.260 8.083 0.177 1
1 212 . 19 1 1 A 20 20 LEU HA H 20 4.120 4.083 0.037 1
1 221 . 19 1 1 A 20 20 LEU C C 20 177.700 178.474 -0.774 1
1 222 . 19 1 1 A 20 20 LEU CA C 20 57.500 57.788 -0.288 1
1 223 . 19 1 1 A 20 20 LEU CB C 20 42.000 41.558 0.442 1
1 226 . 19 1 1 A 20 20 LEU N N 20 121.900 120.183 1.717 1
1 227 . 19 1 1 A 21 21 MET H H 21 8.020 8.321 -0.301 1
1 228 . 19 1 1 A 21 21 MET HA H 21 4.130 4.237 -0.107 1
1 230 . 19 1 1 A 21 21 MET C C 21 179.300 178.320 0.980 1
1 231 . 19 1 1 A 21 21 MET CA C 21 57.000 58.569 -1.569 1
1 232 . 19 1 1 A 21 21 MET CB C 21 30.300 32.020 -1.720 1
1 233 . 19 1 1 A 21 21 MET N N 21 115.800 119.237 -3.437 1
1 234 . 19 1 1 A 22 22 THR H H 22 7.380 7.751 -0.371 1
1 235 . 19 1 1 A 22 22 THR HA H 22 3.950 4.027 -0.077 1
1 240 . 19 1 1 A 22 22 THR C C 22 177.300 175.969 1.331 1
1 241 . 19 1 1 A 22 22 THR CA C 22 66.600 67.405 -0.805 1
1 242 . 19 1 1 A 22 22 THR CB C 22 68.200 68.245 -0.045 1
1 244 . 19 1 1 A 22 22 THR N N 22 116.500 115.451 1.049 1
1 245 . 19 1 1 A 23 23 GLU H H 23 8.650 8.187 0.463 1
1 246 . 19 1 1 A 23 23 GLU HA H 23 3.960 4.062 -0.102 1
1 251 . 19 1 1 A 23 23 GLU C C 23 177.900 178.534 -0.634 1
1 252 . 19 1 1 A 23 23 GLU CA C 23 59.500 58.793 0.707 1
1 253 . 19 1 1 A 23 23 GLU CB C 23 29.600 29.501 0.099 1
1 255 . 19 1 1 A 23 23 GLU N N 23 128.000 121.405 6.595 1
1 256 . 19 1 1 A 24 24 LEU H H 24 8.140 7.967 0.173 1
1 257 . 19 1 1 A 24 24 LEU HA H 24 4.200 4.237 -0.037 1
1 266 . 19 1 1 A 24 24 LEU C C 24 175.800 175.666 0.134 1
1 267 . 19 1 1 A 24 24 LEU CA C 24 54.200 54.933 -0.733 1
1 268 . 19 1 1 A 24 24 LEU CB C 24 41.900 41.889 0.011 1
1 271 . 19 1 1 A 24 24 LEU N N 24 115.900 118.096 -2.196 1
1 272 . 19 1 1 A 25 25 ASP H H 25 7.980 8.081 -0.101 1
1 273 . 19 1 1 A 25 25 ASP HA H 25 4.440 4.360 0.080 1
1 276 . 19 1 1 A 25 25 ASP C C 25 175.800 175.813 -0.013 1
1 277 . 19 1 1 A 25 25 ASP CA C 25 55.200 55.427 -0.227 1
1 278 . 19 1 1 A 25 25 ASP CB C 25 39.400 39.000 0.400 1
1 279 . 19 1 1 A 25 25 ASP N N 25 118.400 116.128 2.272 1
1 280 . 19 1 1 A 26 26 CYS H H 26 8.510 7.681 0.829 1
1 281 . 19 1 1 A 26 26 CYS HA H 26 4.460 4.178 0.282 1
1 284 . 19 1 1 A 26 26 CYS C C 26 174.300 175.409 -1.109 1
1 285 . 19 1 1 A 26 26 CYS CA C 26 58.500 63.856 -5.356 1
1 286 . 19 1 1 A 26 26 CYS CB C 26 27.100 27.299 -0.199 1
1 287 . 19 1 1 A 26 26 CYS N N 26 117.000 116.887 0.113 1
1 288 . 19 1 1 A 27 27 THR H H 27 7.810 8.110 -0.300 1
1 289 . 19 1 1 A 27 27 THR HA H 27 4.450 4.061 0.389 1
1 291 . 19 1 1 A 27 27 THR CA C 27 62.200 64.965 -2.765 1
1 292 . 19 1 1 A 27 27 THR CB C 27 69.400 67.509 1.891 1
1 293 . 19 1 1 A 27 27 THR N N 27 107.800 113.038 -5.238 1
1 294 . 19 1 1 A 29 29 GLY H H 29 8.440 8.601 -0.161 1
1 295 . 19 1 1 A 29 29 GLY HA2 H 29 3.890 4.146 -0.256 1
1 296 . 19 1 1 A 29 29 GLY HA3 H 29 3.970 4.166 -0.196 1
1 297 . 19 1 1 A 29 29 GLY C C 29 173.800 174.880 -1.080 1
1 298 . 19 1 1 A 29 29 GLY CA C 29 45.800 45.844 -0.044 1
1 299 . 19 1 1 A 29 29 GLY N N 29 108.100 108.456 -0.356 1
1 300 . 19 1 1 A 30 30 HIS H H 30 8.210 8.212 -0.002 1
1 301 . 19 1 1 A 30 30 HIS HA H 30 4.650 4.189 0.461 1
1 305 . 19 1 1 A 30 30 HIS C C 30 173.500 174.177 -0.677 1
1 306 . 19 1 1 A 30 30 HIS CA C 30 55.600 56.224 -0.624 1
1 307 . 19 1 1 A 30 30 HIS CB C 30 28.700 28.054 0.646 1
1 309 . 19 1 1 A 30 30 HIS N N 30 117.300 115.427 1.873 1
1 310 . 19 1 1 A 31 31 PHE H H 31 7.520 7.783 -0.263 1
1 311 . 19 1 1 A 31 31 PHE HA H 31 5.050 5.457 -0.407 1
1 316 . 19 1 1 A 31 31 PHE C C 31 175.200 172.684 2.516 1
1 317 . 19 1 1 A 31 31 PHE CA C 31 58.000 55.859 2.141 1
1 318 . 19 1 1 A 31 31 PHE CB C 31 41.200 41.854 -0.654 1
1 321 . 19 1 1 A 31 31 PHE N N 31 117.000 119.491 -2.491 1
1 322 . 19 1 1 A 32 32 ALA H H 32 9.010 8.580 0.430 1
1 323 . 19 1 1 A 32 32 ALA HA H 32 5.010 5.716 -0.706 1
1 327 . 19 1 1 A 32 32 ALA C C 32 174.800 176.191 -1.391 1
1 328 . 19 1 1 A 32 32 ALA CA C 32 50.400 50.220 0.180 1
1 329 . 19 1 1 A 32 32 ALA CB C 32 22.500 23.071 -0.571 1
1 330 . 19 1 1 A 32 32 ALA N N 32 123.800 122.526 1.274 1
1 331 . 19 1 1 A 33 33 VAL H H 33 9.350 8.827 0.523 1
1 332 . 19 1 1 A 33 33 VAL HA H 33 5.130 5.110 0.020 1
1 340 . 19 1 1 A 33 33 VAL C C 33 172.400 174.253 -1.853 1
1 341 . 19 1 1 A 33 33 VAL CA C 33 59.700 59.082 0.618 1
1 342 . 19 1 1 A 33 33 VAL CB C 33 35.000 35.724 -0.724 1
1 345 . 19 1 1 A 33 33 VAL N N 33 120.200 112.523 7.677 1
1 346 . 19 1 1 A 34 34 ALA H H 34 9.100 8.829 0.271 1
1 347 . 19 1 1 A 34 34 ALA HA H 34 5.130 5.490 -0.360 1
1 351 . 19 1 1 A 34 34 ALA C C 34 174.900 174.965 -0.065 1
1 352 . 19 1 1 A 34 34 ALA CA C 34 49.600 50.784 -1.184 1
1 353 . 19 1 1 A 34 34 ALA CB C 34 21.200 22.380 -1.180 1
1 354 . 19 1 1 A 34 34 ALA N N 34 127.800 123.954 3.846 1
1 355 . 19 1 1 A 35 35 LEU H H 35 8.680 8.981 -0.301 1
1 356 . 19 1 1 A 35 35 LEU HA H 35 4.750 4.788 -0.038 1
1 366 . 19 1 1 A 35 35 LEU C C 35 175.700 175.793 -0.093 1
1 367 . 19 1 1 A 35 35 LEU CA C 35 53.200 53.580 -0.380 1
1 368 . 19 1 1 A 35 35 LEU CB C 35 45.600 44.700 0.900 1
1 372 . 19 1 1 A 35 35 LEU N N 35 125.000 125.069 -0.069 1
1 373 . 19 1 1 A 36 36 ASN H H 36 9.960 9.491 0.469 1
1 374 . 19 1 1 A 36 36 ASN HA H 36 3.890 4.473 -0.583 1
1 379 . 19 1 1 A 36 36 ASN C C 36 174.500 175.104 -0.604 1
1 380 . 19 1 1 A 36 36 ASN CA C 36 54.900 54.717 0.183 1
1 381 . 19 1 1 A 36 36 ASN CB C 36 36.800 37.076 -0.276 1
1 382 . 19 1 1 A 36 36 ASN N N 36 127.300 125.878 1.422 1
1 384 . 19 1 1 A 37 37 TYR H H 37 8.750 8.655 0.095 1
1 385 . 19 1 1 A 37 37 TYR HA H 37 3.720 4.205 -0.485 1
1 392 . 19 1 1 A 37 37 TYR C C 37 174.100 174.298 -0.198 1
1 393 . 19 1 1 A 37 37 TYR CA C 37 59.900 58.886 1.014 1
1 394 . 19 1 1 A 37 37 TYR CB C 37 35.300 36.929 -1.629 1
1 399 . 19 1 1 A 37 37 TYR N N 37 107.500 116.130 -8.630 1
1 400 . 19 1 1 A 38 38 ASP H H 38 7.590 7.786 -0.196 1
1 401 . 19 1 1 A 38 38 ASP HA H 38 5.090 4.788 0.302 1
1 404 . 19 1 1 A 38 38 ASP C C 38 175.400 174.538 0.862 1
1 405 . 19 1 1 A 38 38 ASP CA C 38 53.100 53.760 -0.660 1
1 406 . 19 1 1 A 38 38 ASP CB C 38 42.900 43.761 -0.861 1
1 407 . 19 1 1 A 38 38 ASP N N 38 119.900 120.103 -0.203 1
1 408 . 19 1 1 A 39 39 VAL H H 39 8.590 8.650 -0.060 1
1 409 . 19 1 1 A 39 39 VAL HA H 39 4.220 4.528 -0.308 1
1 417 . 19 1 1 A 39 39 VAL C C 39 176.600 175.305 1.295 1
1 418 . 19 1 1 A 39 39 VAL CA C 39 63.600 62.941 0.659 1
1 419 . 19 1 1 A 39 39 VAL CB C 39 31.700 32.083 -0.383 1
1 422 . 19 1 1 A 39 39 VAL N N 39 124.300 126.460 -2.160 1
1 423 . 19 1 1 A 40 40 VAL H H 40 8.970 8.565 0.405 1
1 424 . 19 1 1 A 40 40 VAL HA H 40 4.600 4.576 0.024 1
1 432 . 19 1 1 A 40 40 VAL CA C 40 59.100 58.722 0.378 1
1 433 . 19 1 1 A 40 40 VAL CB C 40 32.500 33.943 -1.443 1
1 436 . 19 1 1 A 40 40 VAL N N 40 130.800 126.986 3.814 1
1 437 . 19 1 1 A 41 41 PRO HA H 41 4.580 4.644 -0.064 1
1 444 . 19 1 1 A 41 41 PRO C C 41 177.700 177.531 0.169 1
1 445 . 19 1 1 A 41 41 PRO CA C 41 62.800 62.534 0.266 1
1 446 . 19 1 1 A 41 41 PRO CB C 41 32.300 32.688 -0.388 1
1 449 . 19 1 1 A 42 42 ARG H H 42 8.640 8.192 0.448 1
1 450 . 19 1 1 A 42 42 ARG HA H 42 1.890 1.767 0.123 1
1 458 . 19 1 1 A 42 42 ARG C C 42 178.800 176.231 2.569 1
1 459 . 19 1 1 A 42 42 ARG CA C 42 58.100 56.947 1.153 1
1 460 . 19 1 1 A 42 42 ARG CB C 42 29.600 28.542 1.058 1
1 462 . 19 1 1 A 42 42 ARG N N 42 124.000 121.967 2.033 1
1 464 . 19 1 1 A 43 43 GLY H H 43 8.690 7.917 0.773 1
1 465 . 19 1 1 A 43 43 GLY HA2 H 43 3.770 3.831 -0.061 1
1 466 . 19 1 1 A 43 43 GLY HA3 H 43 3.870 3.862 0.008 1
1 467 . 19 1 1 A 43 43 GLY C C 43 174.600 174.463 0.137 1
1 468 . 19 1 1 A 43 43 GLY CA C 43 45.800 45.483 0.317 1
1 469 . 19 1 1 A 43 43 GLY N N 43 106.000 108.494 -2.494 1
1 470 . 19 1 1 A 44 44 LYS H H 44 8.260 8.033 0.227 1
1 471 . 19 1 1 A 44 44 LYS HA H 44 4.840 4.517 0.323 1
1 480 . 19 1 1 A 44 44 LYS C C 44 179.200 177.000 2.200 1
1 481 . 19 1 1 A 44 44 LYS CA C 44 54.500 55.671 -1.171 1
1 482 . 19 1 1 A 44 44 LYS CB C 44 32.900 32.908 -0.008 1
1 486 . 19 1 1 A 44 44 LYS N N 44 115.900 117.982 -2.082 1
1 487 . 19 1 1 A 45 45 TRP H H 45 8.120 7.747 0.373 1
1 488 . 19 1 1 A 45 45 TRP HA H 45 4.350 4.429 -0.079 1
1 497 . 19 1 1 A 45 45 TRP C C 45 178.400 178.688 -0.288 1
1 498 . 19 1 1 A 45 45 TRP CA C 45 60.500 59.922 0.578 1
1 499 . 19 1 1 A 45 45 TRP CB C 45 28.500 29.206 -0.706 1
1 505 . 19 1 1 A 45 45 TRP N N 45 124.800 120.638 4.162 1
1 507 . 19 1 1 A 46 46 ASP H H 46 8.950 8.929 0.021 1
1 508 . 19 1 1 A 46 46 ASP HA H 46 4.460 4.379 0.081 1
1 511 . 19 1 1 A 46 46 ASP C C 46 176.800 177.759 -0.959 1
1 512 . 19 1 1 A 46 46 ASP CA C 46 56.900 56.813 0.087 1
1 513 . 19 1 1 A 46 46 ASP CB C 46 40.400 39.837 0.563 1
1 514 . 19 1 1 A 46 46 ASP N N 46 117.400 119.738 -2.338 1
1 515 . 19 1 1 A 47 47 GLU H H 47 7.530 7.835 -0.305 1
1 516 . 19 1 1 A 47 47 GLU HA H 47 4.580 4.397 0.183 1
1 521 . 19 1 1 A 47 47 GLU C C 47 175.500 175.030 0.470 1
1 522 . 19 1 1 A 47 47 GLU CA C 47 55.300 56.700 -1.400 1
1 523 . 19 1 1 A 47 47 GLU CB C 47 30.800 30.322 0.478 1
1 525 . 19 1 1 A 47 47 GLU N N 47 114.500 116.790 -2.290 1
1 526 . 19 1 1 A 48 48 THR H H 48 7.230 7.384 -0.154 1
1 527 . 19 1 1 A 48 48 THR HA H 48 4.700 4.799 -0.099 1
1 532 . 19 1 1 A 48 48 THR CA C 48 60.800 58.940 1.860 1
1 533 . 19 1 1 A 48 48 THR CB C 48 70.100 70.148 -0.048 1
1 534 . 19 1 1 A 48 48 THR N N 48 119.900 115.387 4.513 1
1 535 . 19 1 1 A 49 49 PRO HA H 49 4.890 4.478 0.412 1
1 542 . 19 1 1 A 49 49 PRO C C 49 175.400 175.383 0.017 1
1 543 . 19 1 1 A 49 49 PRO CA C 49 62.100 62.712 -0.612 1
1 544 . 19 1 1 A 49 49 PRO CB C 49 32.900 32.361 0.539 1
1 547 . 19 1 1 A 50 50 VAL H H 50 6.960 8.120 -1.160 1
1 548 . 19 1 1 A 50 50 VAL HA H 50 4.030 4.794 -0.764 1
1 556 . 19 1 1 A 50 50 VAL C C 50 173.800 174.640 -0.840 1
1 557 . 19 1 1 A 50 50 VAL CA C 50 61.400 60.439 0.961 1
1 558 . 19 1 1 A 50 50 VAL CB C 50 33.900 34.094 -0.194 1
1 561 . 19 1 1 A 50 50 VAL N N 50 119.400 120.953 -1.553 1
1 562 . 19 1 1 A 51 51 THR H H 51 8.940 9.160 -0.220 1
1 563 . 19 1 1 A 51 51 THR HA H 51 4.460 4.758 -0.298 1
1 568 . 19 1 1 A 51 51 THR C C 51 172.300 173.962 -1.662 1
1 569 . 19 1 1 A 51 51 THR CA C 51 60.600 61.286 -0.686 1
1 570 . 19 1 1 A 51 51 THR CB C 51 71.000 71.114 -0.114 1
1 571 . 19 1 1 A 51 51 THR N N 51 122.600 123.859 -1.259 1
1 572 . 19 1 1 A 52 52 ALA H H 52 8.150 8.573 -0.423 1
1 573 . 19 1 1 A 52 52 ALA HA H 52 3.940 3.961 -0.021 1
1 577 . 19 1 1 A 52 52 ALA C C 52 179.100 178.073 1.027 1
1 578 . 19 1 1 A 52 52 ALA CA C 52 53.700 53.854 -0.154 1
1 579 . 19 1 1 A 52 52 ALA CB C 52 18.200 18.395 -0.195 1
1 580 . 19 1 1 A 52 52 ALA N N 52 125.400 129.153 -3.753 1
1 581 . 19 1 1 A 53 53 GLY H H 53 9.160 8.751 0.409 1
1 582 . 19 1 1 A 53 53 GLY HA2 H 53 3.670 4.035 -0.365 1
1 583 . 19 1 1 A 53 53 GLY HA3 H 53 4.310 4.036 0.274 1
1 584 . 19 1 1 A 53 53 GLY C C 53 174.900 174.665 0.235 1
1 585 . 19 1 1 A 53 53 GLY CA C 53 44.700 45.283 -0.583 1
1 586 . 19 1 1 A 53 53 GLY N N 53 111.000 111.356 -0.356 1
1 587 . 19 1 1 A 54 54 ASP H H 54 8.180 8.004 0.176 1
1 588 . 19 1 1 A 54 54 ASP HA H 54 4.700 4.661 0.039 1
1 591 . 19 1 1 A 54 54 ASP C C 54 174.600 175.592 -0.992 1
1 592 . 19 1 1 A 54 54 ASP CA C 54 56.100 54.988 1.112 1
1 593 . 19 1 1 A 54 54 ASP CB C 54 41.800 41.769 0.031 1
1 594 . 19 1 1 A 54 54 ASP N N 54 122.700 121.987 0.713 1
1 595 . 19 1 1 A 55 55 GLU H H 55 8.160 8.725 -0.565 1
1 596 . 19 1 1 A 55 55 GLU HA H 55 4.730 4.683 0.047 1
1 601 . 19 1 1 A 55 55 GLU C C 55 175.000 175.394 -0.394 1
1 602 . 19 1 1 A 55 55 GLU CA C 55 55.100 55.994 -0.894 1
1 603 . 19 1 1 A 55 55 GLU CB C 55 30.500 30.336 0.164 1
1 605 . 19 1 1 A 55 55 GLU N N 55 118.800 123.246 -4.446 1
1 606 . 19 1 1 A 56 56 ILE H H 56 9.320 8.870 0.450 1
1 607 . 19 1 1 A 56 56 ILE HA H 56 4.950 5.018 -0.068 1
1 617 . 19 1 1 A 56 56 ILE C C 56 175.100 175.134 -0.034 1
1 618 . 19 1 1 A 56 56 ILE CA C 56 59.800 60.064 -0.264 1
1 619 . 19 1 1 A 56 56 ILE CB C 56 40.200 40.692 -0.492 1
1 623 . 19 1 1 A 56 56 ILE N N 56 127.400 127.973 -0.573 1
1 624 . 19 1 1 A 57 57 GLU H H 57 9.170 8.724 0.446 1
1 625 . 19 1 1 A 57 57 GLU HA H 57 5.000 4.969 0.031 1
1 630 . 19 1 1 A 57 57 GLU C C 57 174.100 175.315 -1.215 1
1 631 . 19 1 1 A 57 57 GLU CA C 57 54.400 54.670 -0.270 1
1 632 . 19 1 1 A 57 57 GLU CB C 57 32.900 31.990 0.910 1
1 634 . 19 1 1 A 57 57 GLU N N 57 129.600 126.331 3.269 1
1 635 . 19 1 1 A 58 58 ILE H H 58 9.500 8.887 0.613 1
1 636 . 19 1 1 A 58 58 ILE HA H 58 4.610 4.896 -0.286 1
1 646 . 19 1 1 A 58 58 ILE C C 58 175.900 175.319 0.581 1
1 647 . 19 1 1 A 58 58 ILE CA C 58 59.900 60.142 -0.242 1
1 648 . 19 1 1 A 58 58 ILE CB C 58 37.800 39.018 -1.218 1
1 652 . 19 1 1 A 58 58 ILE N N 58 126.500 125.892 0.608 1
1 653 . 19 1 1 A 59 59 LEU H H 59 9.150 8.935 0.215 1
1 654 . 19 1 1 A 59 59 LEU HA H 59 4.840 4.986 -0.146 1
1 663 . 19 1 1 A 59 59 LEU C C 59 175.800 176.249 -0.449 1
1 664 . 19 1 1 A 59 59 LEU CA C 59 53.800 53.841 -0.041 1
1 665 . 19 1 1 A 59 59 LEU CB C 59 44.300 43.690 0.610 1
1 668 . 19 1 1 A 59 59 LEU N N 59 129.800 128.322 1.478 1
1 669 . 19 1 1 A 60 60 THR H H 60 8.470 8.811 -0.341 1
1 673 . 19 1 1 A 60 60 THR CA C 60 58.200 58.530 -0.330 1
1 674 . 19 1 1 A 60 60 THR CB C 60 69.900 70.025 -0.125 1
1 676 . 19 1 1 A 60 60 THR N N 60 114.300 115.578 -1.278 1
1 677 . 19 1 1 A 61 61 PRO HA H 61 4.400 4.376 0.024 1
1 680 . 19 1 1 A 61 61 PRO CA C 61 63.200 63.822 -0.622 1
1 681 . 19 1 1 A 61 61 PRO CB C 61 32.100 32.012 0.088 1
1 682 . 19 1 1 A 62 62 ARG HA H 62 4.260 3.856 0.404 1
1 689 . 19 1 1 A 62 62 ARG C C 62 176.500 174.998 1.502 1
1 690 . 19 1 1 A 62 62 ARG CA C 62 56.500 56.839 -0.339 1
1 691 . 19 1 1 A 62 62 ARG CB C 62 30.500 29.016 1.484 1
1 694 . 19 1 1 A 63 63 GLN H H 63 8.500 8.326 0.174 1
1 695 . 19 1 1 A 63 63 GLN HA H 63 4.250 4.199 0.051 1
1 702 . 19 1 1 A 63 63 GLN C C 63 176.400 175.756 0.644 1
1 703 . 19 1 1 A 63 63 GLN CA C 63 56.000 57.510 -1.510 1
1 704 . 19 1 1 A 63 63 GLN CB C 63 29.200 29.124 0.076 1
1 706 . 19 1 1 A 63 63 GLN N N 63 121.700 119.740 1.960 1
1 708 . 19 1 1 A 64 64 GLY H H 64 8.330 8.593 -0.263 1
1 709 . 19 1 1 A 64 64 GLY HA2 H 64 3.940 4.139 -0.199 1
1 710 . 19 1 1 A 64 64 GLY HA3 H 64 3.940 4.141 -0.201 1
1 711 . 19 1 1 A 64 64 GLY C C 64 174.500 174.537 -0.037 1
1 712 . 19 1 1 A 64 64 GLY CA C 64 45.300 44.620 0.680 1
1 713 . 19 1 1 A 64 64 GLY N N 64 110.100 112.971 -2.871 1
1 714 . 19 1 1 A 65 65 GLY H H 65 8.260 8.775 -0.515 1
1 715 . 19 1 1 A 65 65 GLY HA2 H 65 3.940 4.061 -0.121 1
1 716 . 19 1 1 A 65 65 GLY HA3 H 65 3.940 4.069 -0.129 1
1 717 . 19 1 1 A 65 65 GLY C C 65 174.200 174.743 -0.543 1
1 718 . 19 1 1 A 65 65 GLY CA C 65 45.200 45.722 -0.522 1
1 719 . 19 1 1 A 65 65 GLY N N 65 108.500 108.506 -0.006 1
1 720 . 19 1 1 A 66 66 LEU H H 66 8.200 8.425 -0.225 1
1 721 . 19 1 1 A 66 66 LEU HA H 66 4.250 4.202 0.048 1
1 730 . 19 1 1 A 66 66 LEU C C 66 177.400 176.098 1.302 1
1 731 . 19 1 1 A 66 66 LEU CA C 66 55.200 56.682 -1.482 1
1 732 . 19 1 1 A 66 66 LEU CB C 66 42.300 42.250 0.050 1
1 736 . 19 1 1 A 66 66 LEU N N 66 121.200 121.218 -0.018 1
1 737 . 19 1 1 A 67 67 GLU H H 67 8.460 9.176 -0.716 1
1 738 . 19 1 1 A 67 67 GLU HA H 67 4.170 4.048 0.122 1
1 743 . 19 1 1 A 67 67 GLU CA C 67 56.500 57.727 -1.227 1
1 744 . 19 1 1 A 67 67 GLU CB C 67 30.000 29.345 0.655 1
1 2 . 20 1 1 A 2 2 LEU H H 2 8.810 7.681 1.129 1
1 3 . 20 1 1 A 2 2 LEU HA H 2 4.930 4.257 0.673 1
1 12 . 20 1 1 A 2 2 LEU C C 2 175.900 176.252 -0.352 1
1 13 . 20 1 1 A 2 2 LEU CA C 2 55.100 54.746 0.354 1
1 14 . 20 1 1 A 2 2 LEU CB C 2 42.600 42.670 -0.070 1
1 17 . 20 1 1 A 2 2 LEU N N 2 127.000 120.779 6.221 1
1 18 . 20 1 1 A 3 3 VAL H H 3 8.670 9.067 -0.397 1
1 19 . 20 1 1 A 3 3 VAL HA H 3 4.580 4.815 -0.235 1
1 27 . 20 1 1 A 3 3 VAL C C 3 174.000 174.424 -0.424 1
1 28 . 20 1 1 A 3 3 VAL CA C 3 59.400 59.526 -0.126 1
1 29 . 20 1 1 A 3 3 VAL CB C 3 35.500 34.714 0.786 1
1 32 . 20 1 1 A 3 3 VAL N N 3 119.900 119.452 0.448 1
1 33 . 20 1 1 A 4 4 THR H H 4 8.310 8.766 -0.456 1
1 34 . 20 1 1 A 4 4 THR HA H 4 4.850 4.476 0.374 1
1 39 . 20 1 1 A 4 4 THR C C 4 173.600 174.072 -0.472 1
1 40 . 20 1 1 A 4 4 THR CA C 4 61.700 62.329 -0.629 1
1 41 . 20 1 1 A 4 4 THR CB C 4 69.500 68.732 0.768 1
1 43 . 20 1 1 A 4 4 THR N N 4 116.000 120.513 -4.513 1
1 44 . 20 1 1 A 5 5 ILE H H 5 9.060 9.305 -0.245 1
1 45 . 20 1 1 A 5 5 ILE HA H 5 4.830 4.764 0.066 1
1 55 . 20 1 1 A 5 5 ILE C C 5 176.100 175.817 0.283 1
1 56 . 20 1 1 A 5 5 ILE CA C 5 59.400 60.185 -0.785 1
1 57 . 20 1 1 A 5 5 ILE CB C 5 39.300 39.457 -0.157 1
1 61 . 20 1 1 A 5 5 ILE N N 5 125.000 127.433 -2.433 1
1 62 . 20 1 1 A 6 6 ASN H H 6 9.480 9.159 0.321 1
1 63 . 20 1 1 A 6 6 ASN HA H 6 4.510 4.452 0.058 1
1 68 . 20 1 1 A 6 6 ASN C C 6 175.700 175.585 0.115 1
1 69 . 20 1 1 A 6 6 ASN CA C 6 54.100 54.676 -0.576 1
1 70 . 20 1 1 A 6 6 ASN CB C 6 36.100 37.248 -1.148 1
1 71 . 20 1 1 A 6 6 ASN N N 6 129.500 127.766 1.734 1
1 73 . 20 1 1 A 7 7 GLY H H 7 8.860 8.636 0.224 1
1 74 . 20 1 1 A 7 7 GLY HA2 H 7 3.560 3.873 -0.313 1
1 75 . 20 1 1 A 7 7 GLY HA3 H 7 4.180 3.877 0.303 1
1 76 . 20 1 1 A 7 7 GLY C C 7 173.500 174.063 -0.563 1
1 77 . 20 1 1 A 7 7 GLY CA C 7 45.300 45.565 -0.265 1
1 78 . 20 1 1 A 7 7 GLY N N 7 102.200 103.884 -1.684 1
1 79 . 20 1 1 A 8 8 GLU H H 8 7.790 7.744 0.046 1
1 80 . 20 1 1 A 8 8 GLU HA H 8 4.690 4.782 -0.092 1
1 85 . 20 1 1 A 8 8 GLU C C 8 175.300 174.839 0.461 1
1 86 . 20 1 1 A 8 8 GLU CA C 8 54.200 54.767 -0.567 1
1 87 . 20 1 1 A 8 8 GLU CB C 8 32.300 32.557 -0.257 1
1 89 . 20 1 1 A 8 8 GLU N N 8 120.900 119.824 1.076 1
1 90 . 20 1 1 A 9 9 GLN H H 9 8.940 8.575 0.365 1
1 91 . 20 1 1 A 9 9 GLN HA H 9 4.770 4.708 0.062 1
1 96 . 20 1 1 A 9 9 GLN C C 9 176.000 175.068 0.932 1
1 97 . 20 1 1 A 9 9 GLN CA C 9 56.900 55.904 0.996 1
1 98 . 20 1 1 A 9 9 GLN CB C 9 29.300 29.175 0.125 1
1 100 . 20 1 1 A 9 9 GLN N N 9 125.800 125.662 0.138 1
1 101 . 20 1 1 A 10 10 ARG H H 10 9.230 8.705 0.525 1
1 102 . 20 1 1 A 10 10 ARG HA H 10 4.580 4.829 -0.249 1
1 110 . 20 1 1 A 10 10 ARG C C 10 173.300 173.829 -0.529 1
1 111 . 20 1 1 A 10 10 ARG CA C 10 54.400 54.813 -0.413 1
1 112 . 20 1 1 A 10 10 ARG CB C 10 34.400 34.156 0.244 1
1 115 . 20 1 1 A 10 10 ARG N N 10 125.200 123.932 1.268 1
1 117 . 20 1 1 A 11 11 GLU H H 11 8.380 8.767 -0.387 1
1 118 . 20 1 1 A 11 11 GLU HA H 11 4.860 4.899 -0.039 1
1 123 . 20 1 1 A 11 11 GLU C C 11 176.900 176.047 0.853 1
1 124 . 20 1 1 A 11 11 GLU CA C 11 54.800 55.733 -0.933 1
1 125 . 20 1 1 A 11 11 GLU CB C 11 30.000 31.092 -1.092 1
1 127 . 20 1 1 A 11 11 GLU N N 11 123.300 126.475 -3.175 1
1 128 . 20 1 1 A 12 12 VAL H H 12 9.070 8.677 0.393 1
1 129 . 20 1 1 A 12 12 VAL HA H 12 4.870 4.722 0.148 1
1 137 . 20 1 1 A 12 12 VAL C C 12 175.200 175.128 0.072 1
1 138 . 20 1 1 A 12 12 VAL CA C 12 58.600 58.932 -0.332 1
1 139 . 20 1 1 A 12 12 VAL CB C 12 34.400 35.032 -0.632 1
1 142 . 20 1 1 A 12 12 VAL N N 12 119.600 119.519 0.081 1
1 143 . 20 1 1 A 13 13 GLN H H 13 10.260 8.479 1.781 1
1 144 . 20 1 1 A 13 13 GLN HA H 13 4.550 4.512 0.038 1
1 149 . 20 1 1 A 13 13 GLN C C 13 177.700 176.155 1.545 1
1 150 . 20 1 1 A 13 13 GLN CA C 13 55.200 55.623 -0.423 1
1 151 . 20 1 1 A 13 13 GLN CB C 13 30.000 30.229 -0.229 1
1 152 . 20 1 1 A 13 13 GLN N N 13 120.900 120.398 0.502 1
1 153 . 20 1 1 A 14 14 SER H H 14 8.190 7.846 0.344 1
1 154 . 20 1 1 A 14 14 SER HA H 14 4.100 4.364 -0.264 1
1 157 . 20 1 1 A 14 14 SER C C 14 171.700 174.867 -3.167 1
1 158 . 20 1 1 A 14 14 SER CA C 14 61.000 59.646 1.354 1
1 159 . 20 1 1 A 14 14 SER CB C 14 65.300 63.981 1.319 1
1 160 . 20 1 1 A 14 14 SER N N 14 118.500 116.863 1.637 1
1 161 . 20 1 1 A 15 15 ALA H H 15 8.320 8.688 -0.368 1
1 162 . 20 1 1 A 15 15 ALA HA H 15 4.610 4.629 -0.019 1
1 166 . 20 1 1 A 15 15 ALA C C 15 177.900 176.540 1.360 1
1 167 . 20 1 1 A 15 15 ALA CA C 15 51.200 51.624 -0.424 1
1 168 . 20 1 1 A 15 15 ALA CB C 15 20.100 19.572 0.528 1
1 169 . 20 1 1 A 15 15 ALA N N 15 118.500 125.519 -7.019 1
1 170 . 20 1 1 A 16 16 SER H H 16 7.480 7.610 -0.130 1
1 171 . 20 1 1 A 16 16 SER HA H 16 5.390 4.794 0.596 1
1 174 . 20 1 1 A 16 16 SER C C 16 174.600 173.895 0.705 1
1 175 . 20 1 1 A 16 16 SER CA C 16 55.600 56.626 -1.026 1
1 176 . 20 1 1 A 16 16 SER CB C 16 67.400 65.447 1.953 1
1 177 . 20 1 1 A 16 16 SER N N 16 112.400 112.247 0.153 1
1 178 . 20 1 1 A 17 17 VAL H H 17 8.810 8.659 0.151 1
1 179 . 20 1 1 A 17 17 VAL HA H 17 3.120 3.531 -0.411 1
1 187 . 20 1 1 A 17 17 VAL C C 17 176.500 177.155 -0.655 1
1 188 . 20 1 1 A 17 17 VAL CA C 17 66.900 66.229 0.671 1
1 189 . 20 1 1 A 17 17 VAL CB C 17 31.300 31.577 -0.277 1
1 192 . 20 1 1 A 17 17 VAL N N 17 122.400 126.423 -4.023 1
1 193 . 20 1 1 A 18 18 ALA H H 18 7.460 8.634 -1.174 1
1 194 . 20 1 1 A 18 18 ALA HA H 18 4.000 4.140 -0.140 1
1 198 . 20 1 1 A 18 18 ALA C C 18 179.600 179.700 -0.100 1
1 199 . 20 1 1 A 18 18 ALA CA C 18 55.300 55.483 -0.183 1
1 200 . 20 1 1 A 18 18 ALA CB C 18 18.800 18.227 0.573 1
1 201 . 20 1 1 A 18 18 ALA N N 18 119.300 122.143 -2.843 1
1 202 . 20 1 1 A 19 19 ALA H H 19 7.620 8.109 -0.489 1
1 203 . 20 1 1 A 19 19 ALA HA H 19 4.130 4.151 -0.021 1
1 207 . 20 1 1 A 19 19 ALA C C 19 179.500 179.810 -0.310 1
1 208 . 20 1 1 A 19 19 ALA CA C 19 55.000 54.918 0.082 1
1 209 . 20 1 1 A 19 19 ALA CB C 19 17.400 18.421 -1.021 1
1 210 . 20 1 1 A 19 19 ALA N N 19 120.000 120.767 -0.767 1
1 211 . 20 1 1 A 20 20 LEU H H 20 8.260 8.128 0.132 1
1 212 . 20 1 1 A 20 20 LEU HA H 20 4.120 4.079 0.041 1
1 221 . 20 1 1 A 20 20 LEU C C 20 177.700 178.548 -0.848 1
1 222 . 20 1 1 A 20 20 LEU CA C 20 57.500 57.906 -0.406 1
1 223 . 20 1 1 A 20 20 LEU CB C 20 42.000 41.589 0.411 1
1 226 . 20 1 1 A 20 20 LEU N N 20 121.900 120.594 1.306 1
1 227 . 20 1 1 A 21 21 MET H H 21 8.020 8.135 -0.115 1
1 228 . 20 1 1 A 21 21 MET HA H 21 4.130 4.218 -0.088 1
1 230 . 20 1 1 A 21 21 MET C C 21 179.300 178.313 0.987 1
1 231 . 20 1 1 A 21 21 MET CA C 21 57.000 58.579 -1.579 1
1 232 . 20 1 1 A 21 21 MET CB C 21 30.300 31.844 -1.544 1
1 233 . 20 1 1 A 21 21 MET N N 21 115.800 119.017 -3.217 1
1 234 . 20 1 1 A 22 22 THR H H 22 7.380 7.658 -0.278 1
1 235 . 20 1 1 A 22 22 THR HA H 22 3.950 3.953 -0.003 1
1 240 . 20 1 1 A 22 22 THR C C 22 177.300 176.031 1.269 1
1 241 . 20 1 1 A 22 22 THR CA C 22 66.600 67.408 -0.808 1
1 242 . 20 1 1 A 22 22 THR CB C 22 68.200 68.304 -0.104 1
1 244 . 20 1 1 A 22 22 THR N N 22 116.500 115.339 1.161 1
1 245 . 20 1 1 A 23 23 GLU H H 23 8.650 8.486 0.164 1
1 246 . 20 1 1 A 23 23 GLU HA H 23 3.960 4.075 -0.115 1
1 251 . 20 1 1 A 23 23 GLU C C 23 177.900 178.536 -0.636 1
1 252 . 20 1 1 A 23 23 GLU CA C 23 59.500 59.226 0.274 1
1 253 . 20 1 1 A 23 23 GLU CB C 23 29.600 29.273 0.327 1
1 255 . 20 1 1 A 23 23 GLU N N 23 128.000 121.471 6.529 1
1 256 . 20 1 1 A 24 24 LEU H H 24 8.140 7.650 0.490 1
1 257 . 20 1 1 A 24 24 LEU HA H 24 4.200 4.292 -0.092 1
1 266 . 20 1 1 A 24 24 LEU C C 24 175.800 175.920 -0.120 1
1 267 . 20 1 1 A 24 24 LEU CA C 24 54.200 54.977 -0.777 1
1 268 . 20 1 1 A 24 24 LEU CB C 24 41.900 41.893 0.007 1
1 271 . 20 1 1 A 24 24 LEU N N 24 115.900 117.951 -2.051 1
1 272 . 20 1 1 A 25 25 ASP H H 25 7.980 8.403 -0.423 1
1 273 . 20 1 1 A 25 25 ASP HA H 25 4.440 4.334 0.106 1
1 276 . 20 1 1 A 25 25 ASP C C 25 175.800 176.630 -0.830 1
1 277 . 20 1 1 A 25 25 ASP CA C 25 55.200 55.368 -0.168 1
1 278 . 20 1 1 A 25 25 ASP CB C 25 39.400 40.273 -0.873 1
1 279 . 20 1 1 A 25 25 ASP N N 25 118.400 118.284 0.116 1
1 280 . 20 1 1 A 26 26 CYS H H 26 8.510 7.827 0.683 1
1 281 . 20 1 1 A 26 26 CYS HA H 26 4.460 4.722 -0.262 1
1 284 . 20 1 1 A 26 26 CYS C C 26 174.300 174.771 -0.471 1
1 285 . 20 1 1 A 26 26 CYS CA C 26 58.500 58.316 0.184 1
1 286 . 20 1 1 A 26 26 CYS CB C 26 27.100 26.858 0.242 1
1 287 . 20 1 1 A 26 26 CYS N N 26 117.000 117.247 -0.247 1
1 288 . 20 1 1 A 27 27 THR H H 27 7.810 7.641 0.169 1
1 289 . 20 1 1 A 27 27 THR HA H 27 4.450 3.958 0.492 1
1 291 . 20 1 1 A 27 27 THR CA C 27 62.200 63.738 -1.538 1
1 292 . 20 1 1 A 27 27 THR CB C 27 69.400 68.960 0.440 1
1 293 . 20 1 1 A 27 27 THR N N 27 107.800 117.351 -9.551 1
1 294 . 20 1 1 A 29 29 GLY H H 29 8.440 7.923 0.517 1
1 295 . 20 1 1 A 29 29 GLY HA2 H 29 3.890 3.467 0.423 1
1 296 . 20 1 1 A 29 29 GLY HA3 H 29 3.970 3.884 0.086 1
1 297 . 20 1 1 A 29 29 GLY C C 29 173.800 174.331 -0.531 1
1 298 . 20 1 1 A 29 29 GLY CA C 29 45.800 45.349 0.451 1
1 299 . 20 1 1 A 29 29 GLY N N 29 108.100 107.901 0.199 1
1 300 . 20 1 1 A 30 30 HIS H H 30 8.210 8.671 -0.461 1
1 301 . 20 1 1 A 30 30 HIS HA H 30 4.650 4.585 0.065 1
1 305 . 20 1 1 A 30 30 HIS C C 30 173.500 175.150 -1.650 1
1 306 . 20 1 1 A 30 30 HIS CA C 30 55.600 56.946 -1.346 1
1 307 . 20 1 1 A 30 30 HIS CB C 30 28.700 29.975 -1.275 1
1 309 . 20 1 1 A 30 30 HIS N N 30 117.300 122.408 -5.108 1
1 310 . 20 1 1 A 31 31 PHE H H 31 7.520 7.145 0.375 1
1 311 . 20 1 1 A 31 31 PHE HA H 31 5.050 4.640 0.410 1
1 316 . 20 1 1 A 31 31 PHE C C 31 175.200 175.726 -0.526 1
1 317 . 20 1 1 A 31 31 PHE CA C 31 58.000 55.451 2.549 1
1 318 . 20 1 1 A 31 31 PHE CB C 31 41.200 41.307 -0.107 1
1 321 . 20 1 1 A 31 31 PHE N N 31 117.000 116.869 0.131 1
1 322 . 20 1 1 A 32 32 ALA H H 32 9.010 8.908 0.102 1
1 323 . 20 1 1 A 32 32 ALA HA H 32 5.010 5.354 -0.344 1
1 327 . 20 1 1 A 32 32 ALA C C 32 174.800 177.060 -2.260 1
1 328 . 20 1 1 A 32 32 ALA CA C 32 50.400 50.917 -0.517 1
1 329 . 20 1 1 A 32 32 ALA CB C 32 22.500 21.699 0.801 1
1 330 . 20 1 1 A 32 32 ALA N N 32 123.800 122.627 1.173 1
1 331 . 20 1 1 A 33 33 VAL H H 33 9.350 8.911 0.439 1
1 332 . 20 1 1 A 33 33 VAL HA H 33 5.130 5.087 0.043 1
1 340 . 20 1 1 A 33 33 VAL C C 33 172.400 174.253 -1.853 1
1 341 . 20 1 1 A 33 33 VAL CA C 33 59.700 59.211 0.489 1
1 342 . 20 1 1 A 33 33 VAL CB C 33 35.000 35.684 -0.684 1
1 345 . 20 1 1 A 33 33 VAL N N 33 120.200 111.561 8.639 1
1 346 . 20 1 1 A 34 34 ALA H H 34 9.100 9.013 0.087 1
1 347 . 20 1 1 A 34 34 ALA HA H 34 5.130 5.503 -0.373 1
1 351 . 20 1 1 A 34 34 ALA C C 34 174.900 175.133 -0.233 1
1 352 . 20 1 1 A 34 34 ALA CA C 34 49.600 50.443 -0.843 1
1 353 . 20 1 1 A 34 34 ALA CB C 34 21.200 22.267 -1.067 1
1 354 . 20 1 1 A 34 34 ALA N N 34 127.800 124.018 3.782 1
1 355 . 20 1 1 A 35 35 LEU H H 35 8.680 9.049 -0.369 1
1 356 . 20 1 1 A 35 35 LEU HA H 35 4.750 4.719 0.031 1
1 366 . 20 1 1 A 35 35 LEU C C 35 175.700 175.611 0.089 1
1 367 . 20 1 1 A 35 35 LEU CA C 35 53.200 53.828 -0.628 1
1 368 . 20 1 1 A 35 35 LEU CB C 35 45.600 44.622 0.978 1
1 372 . 20 1 1 A 35 35 LEU N N 35 125.000 124.547 0.453 1
1 373 . 20 1 1 A 36 36 ASN H H 36 9.960 8.788 1.172 1
1 374 . 20 1 1 A 36 36 ASN HA H 36 3.890 4.117 -0.227 1
1 379 . 20 1 1 A 36 36 ASN C C 36 174.500 174.238 0.262 1
1 380 . 20 1 1 A 36 36 ASN CA C 36 54.900 54.485 0.415 1
1 381 . 20 1 1 A 36 36 ASN CB C 36 36.800 37.053 -0.253 1
1 382 . 20 1 1 A 36 36 ASN N N 36 127.300 125.922 1.378 1
1 384 . 20 1 1 A 37 37 TYR H H 37 8.750 7.974 0.776 1
1 385 . 20 1 1 A 37 37 TYR HA H 37 3.720 4.147 -0.427 1
1 392 . 20 1 1 A 37 37 TYR C C 37 174.100 174.071 0.029 1
1 393 . 20 1 1 A 37 37 TYR CA C 37 59.900 58.869 1.031 1
1 394 . 20 1 1 A 37 37 TYR CB C 37 35.300 35.622 -0.322 1
1 399 . 20 1 1 A 37 37 TYR N N 37 107.500 110.471 -2.971 1
1 400 . 20 1 1 A 38 38 ASP H H 38 7.590 7.669 -0.079 1
1 401 . 20 1 1 A 38 38 ASP HA H 38 5.090 5.121 -0.031 1
1 404 . 20 1 1 A 38 38 ASP C C 38 175.400 175.132 0.268 1
1 405 . 20 1 1 A 38 38 ASP CA C 38 53.100 53.267 -0.167 1
1 406 . 20 1 1 A 38 38 ASP CB C 38 42.900 44.711 -1.811 1
1 407 . 20 1 1 A 38 38 ASP N N 38 119.900 118.015 1.885 1
1 408 . 20 1 1 A 39 39 VAL H H 39 8.590 8.791 -0.201 1
1 409 . 20 1 1 A 39 39 VAL HA H 39 4.220 4.522 -0.302 1
1 417 . 20 1 1 A 39 39 VAL C C 39 176.600 175.387 1.213 1
1 418 . 20 1 1 A 39 39 VAL CA C 39 63.600 63.083 0.517 1
1 419 . 20 1 1 A 39 39 VAL CB C 39 31.700 32.133 -0.433 1
1 422 . 20 1 1 A 39 39 VAL N N 39 124.300 124.266 0.034 1
1 423 . 20 1 1 A 40 40 VAL H H 40 8.970 8.767 0.203 1
1 424 . 20 1 1 A 40 40 VAL HA H 40 4.600 4.613 -0.013 1
1 432 . 20 1 1 A 40 40 VAL CA C 40 59.100 58.906 0.194 1
1 433 . 20 1 1 A 40 40 VAL CB C 40 32.500 33.492 -0.992 1
1 436 . 20 1 1 A 40 40 VAL N N 40 130.800 127.067 3.733 1
1 437 . 20 1 1 A 41 41 PRO HA H 41 4.580 4.656 -0.076 1
1 444 . 20 1 1 A 41 41 PRO C C 41 177.700 177.259 0.441 1
1 445 . 20 1 1 A 41 41 PRO CA C 41 62.800 62.385 0.415 1
1 446 . 20 1 1 A 41 41 PRO CB C 41 32.300 32.696 -0.396 1
1 449 . 20 1 1 A 42 42 ARG H H 42 8.640 8.647 -0.007 1
1 450 . 20 1 1 A 42 42 ARG HA H 42 1.890 2.129 -0.239 1
1 458 . 20 1 1 A 42 42 ARG C C 42 178.800 178.083 0.717 1
1 459 . 20 1 1 A 42 42 ARG CA C 42 58.100 58.662 -0.562 1
1 460 . 20 1 1 A 42 42 ARG CB C 42 29.600 29.104 0.496 1
1 462 . 20 1 1 A 42 42 ARG N N 42 124.000 122.634 1.366 1
1 464 . 20 1 1 A 43 43 GLY H H 43 8.690 8.029 0.661 1
1 465 . 20 1 1 A 43 43 GLY HA2 H 43 3.770 3.896 -0.126 1
1 466 . 20 1 1 A 43 43 GLY HA3 H 43 3.870 3.913 -0.043 1
1 467 . 20 1 1 A 43 43 GLY C C 43 174.600 174.710 -0.110 1
1 468 . 20 1 1 A 43 43 GLY CA C 43 45.800 46.296 -0.496 1
1 469 . 20 1 1 A 43 43 GLY N N 43 106.000 106.685 -0.685 1
1 470 . 20 1 1 A 44 44 LYS H H 44 8.260 7.502 0.758 1
1 471 . 20 1 1 A 44 44 LYS HA H 44 4.840 4.563 0.277 1
1 480 . 20 1 1 A 44 44 LYS C C 44 179.200 177.648 1.552 1
1 481 . 20 1 1 A 44 44 LYS CA C 44 54.500 56.208 -1.708 1
1 482 . 20 1 1 A 44 44 LYS CB C 44 32.900 33.776 -0.876 1
1 486 . 20 1 1 A 44 44 LYS N N 44 115.900 118.885 -2.985 1
1 487 . 20 1 1 A 45 45 TRP H H 45 8.120 8.069 0.051 1
1 488 . 20 1 1 A 45 45 TRP HA H 45 4.350 4.441 -0.091 1
1 497 . 20 1 1 A 45 45 TRP C C 45 178.400 178.730 -0.330 1
1 498 . 20 1 1 A 45 45 TRP CA C 45 60.500 59.955 0.545 1
1 499 . 20 1 1 A 45 45 TRP CB C 45 28.500 29.196 -0.696 1
1 505 . 20 1 1 A 45 45 TRP N N 45 124.800 120.720 4.080 1
1 507 . 20 1 1 A 46 46 ASP H H 46 8.950 8.581 0.369 1
1 508 . 20 1 1 A 46 46 ASP HA H 46 4.460 4.343 0.117 1
1 511 . 20 1 1 A 46 46 ASP C C 46 176.800 178.376 -1.576 1
1 512 . 20 1 1 A 46 46 ASP CA C 46 56.900 57.167 -0.267 1
1 513 . 20 1 1 A 46 46 ASP CB C 46 40.400 40.370 0.030 1
1 514 . 20 1 1 A 46 46 ASP N N 46 117.400 119.357 -1.957 1
1 515 . 20 1 1 A 47 47 GLU H H 47 7.530 7.864 -0.334 1
1 516 . 20 1 1 A 47 47 GLU HA H 47 4.580 4.411 0.169 1
1 521 . 20 1 1 A 47 47 GLU C C 47 175.500 175.200 0.300 1
1 522 . 20 1 1 A 47 47 GLU CA C 47 55.300 56.750 -1.450 1
1 523 . 20 1 1 A 47 47 GLU CB C 47 30.800 30.258 0.542 1
1 525 . 20 1 1 A 47 47 GLU N N 47 114.500 116.481 -1.981 1
1 526 . 20 1 1 A 48 48 THR H H 48 7.230 7.774 -0.544 1
1 527 . 20 1 1 A 48 48 THR HA H 48 4.700 4.570 0.130 1
1 532 . 20 1 1 A 48 48 THR CA C 48 60.800 59.214 1.586 1
1 533 . 20 1 1 A 48 48 THR CB C 48 70.100 69.539 0.561 1
1 534 . 20 1 1 A 48 48 THR N N 48 119.900 115.851 4.049 1
1 535 . 20 1 1 A 49 49 PRO HA H 49 4.890 4.639 0.251 1
1 542 . 20 1 1 A 49 49 PRO C C 49 175.400 175.181 0.219 1
1 543 . 20 1 1 A 49 49 PRO CA C 49 62.100 62.294 -0.194 1
1 544 . 20 1 1 A 49 49 PRO CB C 49 32.900 32.649 0.251 1
1 547 . 20 1 1 A 50 50 VAL H H 50 6.960 8.136 -1.176 1
1 548 . 20 1 1 A 50 50 VAL HA H 50 4.030 4.751 -0.721 1
1 556 . 20 1 1 A 50 50 VAL C C 50 173.800 174.554 -0.754 1
1 557 . 20 1 1 A 50 50 VAL CA C 50 61.400 60.403 0.997 1
1 558 . 20 1 1 A 50 50 VAL CB C 50 33.900 34.136 -0.236 1
1 561 . 20 1 1 A 50 50 VAL N N 50 119.400 120.084 -0.684 1
1 562 . 20 1 1 A 51 51 THR H H 51 8.940 8.674 0.266 1
1 563 . 20 1 1 A 51 51 THR HA H 51 4.460 4.800 -0.340 1
1 568 . 20 1 1 A 51 51 THR C C 51 172.300 173.919 -1.619 1
1 569 . 20 1 1 A 51 51 THR CA C 51 60.600 61.199 -0.599 1
1 570 . 20 1 1 A 51 51 THR CB C 51 71.000 70.904 0.096 1
1 571 . 20 1 1 A 51 51 THR N N 51 122.600 124.175 -1.575 1
1 572 . 20 1 1 A 52 52 ALA H H 52 8.150 8.584 -0.434 1
1 573 . 20 1 1 A 52 52 ALA HA H 52 3.940 3.977 -0.037 1
1 577 . 20 1 1 A 52 52 ALA C C 52 179.100 178.089 1.011 1
1 578 . 20 1 1 A 52 52 ALA CA C 52 53.700 53.703 -0.003 1
1 579 . 20 1 1 A 52 52 ALA CB C 52 18.200 18.443 -0.243 1
1 580 . 20 1 1 A 52 52 ALA N N 52 125.400 129.043 -3.643 1
1 581 . 20 1 1 A 53 53 GLY H H 53 9.160 8.935 0.225 1
1 582 . 20 1 1 A 53 53 GLY HA2 H 53 3.670 4.006 -0.336 1
1 583 . 20 1 1 A 53 53 GLY HA3 H 53 4.310 4.008 0.302 1
1 584 . 20 1 1 A 53 53 GLY C C 53 174.900 174.051 0.849 1
1 585 . 20 1 1 A 53 53 GLY CA C 53 44.700 44.965 -0.265 1
1 586 . 20 1 1 A 53 53 GLY N N 53 111.000 110.288 0.712 1
1 587 . 20 1 1 A 54 54 ASP H H 54 8.180 7.929 0.251 1
1 588 . 20 1 1 A 54 54 ASP HA H 54 4.700 4.621 0.079 1
1 591 . 20 1 1 A 54 54 ASP C C 54 174.600 175.667 -1.067 1
1 592 . 20 1 1 A 54 54 ASP CA C 54 56.100 54.347 1.753 1
1 593 . 20 1 1 A 54 54 ASP CB C 54 41.800 41.613 0.187 1
1 594 . 20 1 1 A 54 54 ASP N N 54 122.700 121.085 1.615 1
1 595 . 20 1 1 A 55 55 GLU H H 55 8.160 8.497 -0.337 1
1 596 . 20 1 1 A 55 55 GLU HA H 55 4.730 4.616 0.114 1
1 601 . 20 1 1 A 55 55 GLU C C 55 175.000 175.454 -0.454 1
1 602 . 20 1 1 A 55 55 GLU CA C 55 55.100 56.130 -1.030 1
1 603 . 20 1 1 A 55 55 GLU CB C 55 30.500 30.345 0.155 1
1 605 . 20 1 1 A 55 55 GLU N N 55 118.800 122.520 -3.720 1
1 606 . 20 1 1 A 56 56 ILE H H 56 9.320 8.900 0.420 1
1 607 . 20 1 1 A 56 56 ILE HA H 56 4.950 4.854 0.096 1
1 617 . 20 1 1 A 56 56 ILE C C 56 175.100 175.011 0.089 1
1 618 . 20 1 1 A 56 56 ILE CA C 56 59.800 59.993 -0.193 1
1 619 . 20 1 1 A 56 56 ILE CB C 56 40.200 40.606 -0.406 1
1 623 . 20 1 1 A 56 56 ILE N N 56 127.400 125.897 1.503 1
1 624 . 20 1 1 A 57 57 GLU H H 57 9.170 8.766 0.404 1
1 625 . 20 1 1 A 57 57 GLU HA H 57 5.000 5.087 -0.087 1
1 630 . 20 1 1 A 57 57 GLU C C 57 174.100 175.068 -0.968 1
1 631 . 20 1 1 A 57 57 GLU CA C 57 54.400 54.458 -0.058 1
1 632 . 20 1 1 A 57 57 GLU CB C 57 32.900 33.301 -0.401 1
1 634 . 20 1 1 A 57 57 GLU N N 57 129.600 125.871 3.729 1
1 635 . 20 1 1 A 58 58 ILE H H 58 9.500 8.970 0.530 1
1 636 . 20 1 1 A 58 58 ILE HA H 58 4.610 4.660 -0.050 1
1 646 . 20 1 1 A 58 58 ILE C C 58 175.900 175.662 0.238 1
1 647 . 20 1 1 A 58 58 ILE CA C 58 59.900 59.351 0.549 1
1 648 . 20 1 1 A 58 58 ILE CB C 58 37.800 38.578 -0.778 1
1 652 . 20 1 1 A 58 58 ILE N N 58 126.500 124.509 1.991 1
1 653 . 20 1 1 A 59 59 LEU H H 59 9.150 8.459 0.691 1
1 654 . 20 1 1 A 59 59 LEU HA H 59 4.840 4.469 0.371 1
1 663 . 20 1 1 A 59 59 LEU C C 59 175.800 176.324 -0.524 1
1 664 . 20 1 1 A 59 59 LEU CA C 59 53.800 54.930 -1.130 1
1 665 . 20 1 1 A 59 59 LEU CB C 59 44.300 42.506 1.794 1
1 668 . 20 1 1 A 59 59 LEU N N 59 129.800 128.810 0.990 1
1 669 . 20 1 1 A 60 60 THR H H 60 8.470 8.825 -0.355 1
1 673 . 20 1 1 A 60 60 THR CA C 60 58.200 58.684 -0.484 1
1 674 . 20 1 1 A 60 60 THR CB C 60 69.900 68.968 0.932 1
1 676 . 20 1 1 A 60 60 THR N N 60 114.300 115.059 -0.759 1
1 677 . 20 1 1 A 61 61 PRO HA H 61 4.400 4.719 -0.319 1
1 680 . 20 1 1 A 61 61 PRO CA C 61 63.200 62.329 0.871 1
1 681 . 20 1 1 A 61 61 PRO CB C 61 32.100 31.972 0.128 1
1 682 . 20 1 1 A 62 62 ARG HA H 62 4.260 4.562 -0.302 1
1 689 . 20 1 1 A 62 62 ARG C C 62 176.500 175.893 0.607 1
1 690 . 20 1 1 A 62 62 ARG CA C 62 56.500 56.053 0.447 1
1 691 . 20 1 1 A 62 62 ARG CB C 62 30.500 33.623 -3.123 1
1 694 . 20 1 1 A 63 63 GLN H H 63 8.500 7.718 0.782 1
1 695 . 20 1 1 A 63 63 GLN HA H 63 4.250 4.325 -0.075 1
1 702 . 20 1 1 A 63 63 GLN C C 63 176.400 175.692 0.708 1
1 703 . 20 1 1 A 63 63 GLN CA C 63 56.000 57.021 -1.021 1
1 704 . 20 1 1 A 63 63 GLN CB C 63 29.200 29.731 -0.531 1
1 706 . 20 1 1 A 63 63 GLN N N 63 121.700 118.820 2.880 1
1 708 . 20 1 1 A 64 64 GLY H H 64 8.330 8.368 -0.038 1
1 709 . 20 1 1 A 64 64 GLY HA2 H 64 3.940 4.115 -0.175 1
1 710 . 20 1 1 A 64 64 GLY HA3 H 64 3.940 4.117 -0.177 1
1 711 . 20 1 1 A 64 64 GLY C C 64 174.500 174.127 0.373 1
1 712 . 20 1 1 A 64 64 GLY CA C 64 45.300 45.797 -0.497 1
1 713 . 20 1 1 A 64 64 GLY N N 64 110.100 109.472 0.628 1
1 714 . 20 1 1 A 65 65 GLY H H 65 8.260 8.744 -0.484 1
1 715 . 20 1 1 A 65 65 GLY HA2 H 65 3.940 4.079 -0.139 1
1 716 . 20 1 1 A 65 65 GLY HA3 H 65 3.940 4.081 -0.141 1
1 717 . 20 1 1 A 65 65 GLY C C 65 174.200 173.969 0.231 1
1 718 . 20 1 1 A 65 65 GLY CA C 65 45.200 45.177 0.023 1
1 719 . 20 1 1 A 65 65 GLY N N 65 108.500 114.132 -5.632 1
1 720 . 20 1 1 A 66 66 LEU H H 66 8.200 8.838 -0.638 1
1 721 . 20 1 1 A 66 66 LEU HA H 66 4.250 4.207 0.043 1
1 730 . 20 1 1 A 66 66 LEU C C 66 177.400 176.448 0.952 1
1 731 . 20 1 1 A 66 66 LEU CA C 66 55.200 57.856 -2.656 1
1 732 . 20 1 1 A 66 66 LEU CB C 66 42.300 42.030 0.270 1
1 736 . 20 1 1 A 66 66 LEU N N 66 121.200 121.285 -0.085 1
1 737 . 20 1 1 A 67 67 GLU H H 67 8.460 8.419 0.041 1
1 738 . 20 1 1 A 67 67 GLU HA H 67 4.170 3.950 0.220 1
1 743 . 20 1 1 A 67 67 GLU CA C 67 56.500 57.205 -0.705 1
1 744 . 20 1 1 A 67 67 GLU CB C 67 30.000 27.995 2.005 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 59 0.951 1
2 1 1 1 "RMS(OBS, PRED)" CA 65 0.891 1
3 1 1 1 "RMS(OBS, PRED)" CB 59 0.847 1
4 1 1 1 "RMS(OBS, PRED)" H 61 0.526 1
5 1 1 1 "RMS(OBS, PRED)" HA 70 0.275 1
6 1 1 1 "RMS(OBS, PRED)" N 60 3.140 1
7 1 2 1 "RMS(OBS, PRED)" C 59 0.997 1
8 1 2 1 "RMS(OBS, PRED)" CA 65 1.028 1
9 1 2 1 "RMS(OBS, PRED)" CB 59 0.820 1
10 1 2 1 "RMS(OBS, PRED)" H 61 0.557 1
11 1 2 1 "RMS(OBS, PRED)" HA 70 0.263 1
12 1 2 1 "RMS(OBS, PRED)" N 60 3.096 1
13 1 3 1 "RMS(OBS, PRED)" C 59 1.052 1
14 1 3 1 "RMS(OBS, PRED)" CA 65 0.952 1
15 1 3 1 "RMS(OBS, PRED)" CB 59 0.864 1
16 1 3 1 "RMS(OBS, PRED)" H 61 0.510 1
17 1 3 1 "RMS(OBS, PRED)" HA 70 0.250 1
18 1 3 1 "RMS(OBS, PRED)" N 60 2.943 1
19 1 4 1 "RMS(OBS, PRED)" C 59 1.070 1
20 1 4 1 "RMS(OBS, PRED)" CA 65 0.836 1
21 1 4 1 "RMS(OBS, PRED)" CB 59 0.799 1
22 1 4 1 "RMS(OBS, PRED)" H 61 0.499 1
23 1 4 1 "RMS(OBS, PRED)" HA 70 0.254 1
24 1 4 1 "RMS(OBS, PRED)" N 60 3.021 1
25 1 5 1 "RMS(OBS, PRED)" C 59 0.992 1
26 1 5 1 "RMS(OBS, PRED)" CA 65 0.972 1
27 1 5 1 "RMS(OBS, PRED)" CB 59 0.879 1
28 1 5 1 "RMS(OBS, PRED)" H 61 0.506 1
29 1 5 1 "RMS(OBS, PRED)" HA 70 0.270 1
30 1 5 1 "RMS(OBS, PRED)" N 60 3.134 1
31 1 6 1 "RMS(OBS, PRED)" C 59 0.988 1
32 1 6 1 "RMS(OBS, PRED)" CA 65 1.221 1
33 1 6 1 "RMS(OBS, PRED)" CB 59 1.029 1
34 1 6 1 "RMS(OBS, PRED)" H 61 0.504 1
35 1 6 1 "RMS(OBS, PRED)" HA 70 0.256 1
36 1 6 1 "RMS(OBS, PRED)" N 60 2.965 1
37 1 7 1 "RMS(OBS, PRED)" C 59 0.945 1
38 1 7 1 "RMS(OBS, PRED)" CA 65 1.107 1
39 1 7 1 "RMS(OBS, PRED)" CB 59 0.907 1
40 1 7 1 "RMS(OBS, PRED)" H 61 0.493 1
41 1 7 1 "RMS(OBS, PRED)" HA 70 0.256 1
42 1 7 1 "RMS(OBS, PRED)" N 60 3.095 1
43 1 8 1 "RMS(OBS, PRED)" C 59 1.011 1
44 1 8 1 "RMS(OBS, PRED)" CA 65 0.835 1
45 1 8 1 "RMS(OBS, PRED)" CB 59 0.929 1
46 1 8 1 "RMS(OBS, PRED)" H 61 0.542 1
47 1 8 1 "RMS(OBS, PRED)" HA 70 0.265 1
48 1 8 1 "RMS(OBS, PRED)" N 60 3.240 1
49 1 9 1 "RMS(OBS, PRED)" C 59 0.946 1
50 1 9 1 "RMS(OBS, PRED)" CA 65 0.837 1
51 1 9 1 "RMS(OBS, PRED)" CB 59 0.830 1
52 1 9 1 "RMS(OBS, PRED)" H 61 0.563 1
53 1 9 1 "RMS(OBS, PRED)" HA 70 0.253 1
54 1 9 1 "RMS(OBS, PRED)" N 60 3.342 1
55 1 10 1 "RMS(OBS, PRED)" C 59 1.127 1
56 1 10 1 "RMS(OBS, PRED)" CA 65 1.033 1
57 1 10 1 "RMS(OBS, PRED)" CB 59 1.097 1
58 1 10 1 "RMS(OBS, PRED)" H 61 0.504 1
59 1 10 1 "RMS(OBS, PRED)" HA 70 0.255 1
60 1 10 1 "RMS(OBS, PRED)" N 60 2.989 1
61 1 11 1 "RMS(OBS, PRED)" C 59 0.955 1
62 1 11 1 "RMS(OBS, PRED)" CA 65 1.052 1
63 1 11 1 "RMS(OBS, PRED)" CB 59 0.897 1
64 1 11 1 "RMS(OBS, PRED)" H 61 0.542 1
65 1 11 1 "RMS(OBS, PRED)" HA 70 0.254 1
66 1 11 1 "RMS(OBS, PRED)" N 60 3.078 1
67 1 12 1 "RMS(OBS, PRED)" C 59 0.947 1
68 1 12 1 "RMS(OBS, PRED)" CA 65 0.947 1
69 1 12 1 "RMS(OBS, PRED)" CB 59 0.886 1
70 1 12 1 "RMS(OBS, PRED)" H 61 0.502 1
71 1 12 1 "RMS(OBS, PRED)" HA 70 0.274 1
72 1 12 1 "RMS(OBS, PRED)" N 60 3.131 1
73 1 13 1 "RMS(OBS, PRED)" C 59 0.951 1
74 1 13 1 "RMS(OBS, PRED)" CA 65 0.867 1
75 1 13 1 "RMS(OBS, PRED)" CB 59 1.041 1
76 1 13 1 "RMS(OBS, PRED)" H 61 0.459 1
77 1 13 1 "RMS(OBS, PRED)" HA 70 0.287 1
78 1 13 1 "RMS(OBS, PRED)" N 60 2.968 1
79 1 14 1 "RMS(OBS, PRED)" C 59 1.051 1
80 1 14 1 "RMS(OBS, PRED)" CA 65 1.137 1
81 1 14 1 "RMS(OBS, PRED)" CB 59 0.908 1
82 1 14 1 "RMS(OBS, PRED)" H 61 0.551 1
83 1 14 1 "RMS(OBS, PRED)" HA 70 0.268 1
84 1 14 1 "RMS(OBS, PRED)" N 60 2.955 1
85 1 15 1 "RMS(OBS, PRED)" C 59 1.013 1
86 1 15 1 "RMS(OBS, PRED)" CA 65 0.894 1
87 1 15 1 "RMS(OBS, PRED)" CB 59 0.817 1
88 1 15 1 "RMS(OBS, PRED)" H 61 0.597 1
89 1 15 1 "RMS(OBS, PRED)" HA 70 0.269 1
90 1 15 1 "RMS(OBS, PRED)" N 60 3.242 1
91 1 16 1 "RMS(OBS, PRED)" C 59 1.008 1
92 1 16 1 "RMS(OBS, PRED)" CA 65 1.019 1
93 1 16 1 "RMS(OBS, PRED)" CB 59 1.126 1
94 1 16 1 "RMS(OBS, PRED)" H 61 0.559 1
95 1 16 1 "RMS(OBS, PRED)" HA 70 0.275 1
96 1 16 1 "RMS(OBS, PRED)" N 60 3.459 1
97 1 17 1 "RMS(OBS, PRED)" C 59 1.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 65 1.035 1
99 1 17 1 "RMS(OBS, PRED)" CB 59 0.976 1
100 1 17 1 "RMS(OBS, PRED)" H 61 0.531 1
101 1 17 1 "RMS(OBS, PRED)" HA 70 0.269 1
102 1 17 1 "RMS(OBS, PRED)" N 60 2.880 1
103 1 18 1 "RMS(OBS, PRED)" C 59 1.033 1
104 1 18 1 "RMS(OBS, PRED)" CA 65 0.960 1
105 1 18 1 "RMS(OBS, PRED)" CB 59 0.927 1
106 1 18 1 "RMS(OBS, PRED)" H 61 0.486 1
107 1 18 1 "RMS(OBS, PRED)" HA 70 0.253 1
108 1 18 1 "RMS(OBS, PRED)" N 60 3.294 1
109 1 19 1 "RMS(OBS, PRED)" C 59 1.053 1
110 1 19 1 "RMS(OBS, PRED)" CA 65 1.136 1
111 1 19 1 "RMS(OBS, PRED)" CB 59 0.888 1
112 1 19 1 "RMS(OBS, PRED)" H 61 0.531 1
113 1 19 1 "RMS(OBS, PRED)" HA 70 0.282 1
114 1 19 1 "RMS(OBS, PRED)" N 60 3.052 1
115 1 20 1 "RMS(OBS, PRED)" C 59 0.945 1
116 1 20 1 "RMS(OBS, PRED)" CA 65 0.899 1
117 1 20 1 "RMS(OBS, PRED)" CB 59 0.895 1
118 1 20 1 "RMS(OBS, PRED)" H 61 0.542 1
119 1 20 1 "RMS(OBS, PRED)" HA 70 0.256 1
120 1 20 1 "RMS(OBS, PRED)" N 60 3.201 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 2 . 1 1 A 2 2 LEU H H 2 8.810 7.843 0.967 2
1 3 . 1 1 A 2 2 LEU HA H 2 4.930 4.330 0.600 2
1 12 . 1 1 A 2 2 LEU C C 2 175.900 176.454 -0.554 2
1 13 . 1 1 A 2 2 LEU CA C 2 55.100 54.545 0.555 2
1 14 . 1 1 A 2 2 LEU CB C 2 42.600 42.598 0.002 2
1 17 . 1 1 A 2 2 LEU N N 2 127.000 120.923 6.077 2
1 18 . 1 1 A 3 3 VAL H H 3 8.670 9.068 -0.398 2
1 19 . 1 1 A 3 3 VAL HA H 3 4.580 4.840 -0.260 2
1 27 . 1 1 A 3 3 VAL C C 3 174.000 174.446 -0.446 2
1 28 . 1 1 A 3 3 VAL CA C 3 59.400 59.605 -0.205 2
1 29 . 1 1 A 3 3 VAL CB C 3 35.500 34.603 0.897 2
1 32 . 1 1 A 3 3 VAL N N 3 119.900 119.438 0.462 2
1 33 . 1 1 A 4 4 THR H H 4 8.310 8.809 -0.499 2
1 34 . 1 1 A 4 4 THR HA H 4 4.850 4.713 0.137 2
1 39 . 1 1 A 4 4 THR C C 4 173.600 174.029 -0.429 2
1 40 . 1 1 A 4 4 THR CA C 4 61.700 62.247 -0.547 2
1 41 . 1 1 A 4 4 THR CB C 4 69.500 69.033 0.467 2
1 43 . 1 1 A 4 4 THR N N 4 116.000 120.398 -4.398 2
1 44 . 1 1 A 5 5 ILE H H 5 9.060 9.329 -0.269 2
1 45 . 1 1 A 5 5 ILE HA H 5 4.830 4.786 0.044 2
1 55 . 1 1 A 5 5 ILE C C 5 176.100 176.038 0.062 2
1 56 . 1 1 A 5 5 ILE CA C 5 59.400 60.270 -0.870 2
1 57 . 1 1 A 5 5 ILE CB C 5 39.300 39.349 -0.049 2
1 61 . 1 1 A 5 5 ILE N N 5 125.000 127.321 -2.321 2
1 62 . 1 1 A 6 6 ASN H H 6 9.480 9.294 0.186 2
1 63 . 1 1 A 6 6 ASN HA H 6 4.510 4.427 0.083 2
1 68 . 1 1 A 6 6 ASN C C 6 175.700 175.270 0.430 2
1 69 . 1 1 A 6 6 ASN CA C 6 54.100 54.546 -0.446 2
1 70 . 1 1 A 6 6 ASN CB C 6 36.100 37.326 -1.226 2
1 71 . 1 1 A 6 6 ASN N N 6 129.500 127.377 2.123 2
1 73 . 1 1 A 7 7 GLY H H 7 8.860 8.627 0.233 2
1 74 . 1 1 A 7 7 GLY HA2 H 7 3.560 3.863 -0.303 2
1 75 . 1 1 A 7 7 GLY HA3 H 7 4.180 3.866 0.314 2
1 76 . 1 1 A 7 7 GLY C C 7 173.500 173.810 -0.309 2
1 77 . 1 1 A 7 7 GLY CA C 7 45.300 45.522 -0.222 2
1 78 . 1 1 A 7 7 GLY N N 7 102.200 103.835 -1.635 2
1 79 . 1 1 A 8 8 GLU H H 8 7.790 7.993 -0.203 2
1 80 . 1 1 A 8 8 GLU HA H 8 4.690 4.748 -0.058 2
1 85 . 1 1 A 8 8 GLU C C 8 175.300 175.211 0.089 2
1 86 . 1 1 A 8 8 GLU CA C 8 54.200 54.765 -0.565 2
1 87 . 1 1 A 8 8 GLU CB C 8 32.300 32.528 -0.228 2
1 89 . 1 1 A 8 8 GLU N N 8 120.900 120.158 0.742 2
1 90 . 1 1 A 9 9 GLN H H 9 8.940 8.591 0.349 2
1 91 . 1 1 A 9 9 GLN HA H 9 4.770 4.739 0.031 2
1 96 . 1 1 A 9 9 GLN C C 9 176.000 175.189 0.811 2
1 97 . 1 1 A 9 9 GLN CA C 9 56.900 55.978 0.922 2
1 98 . 1 1 A 9 9 GLN CB C 9 29.300 29.100 0.200 2
1 100 . 1 1 A 9 9 GLN N N 9 125.800 124.592 1.208 2
1 101 . 1 1 A 10 10 ARG H H 10 9.230 8.668 0.562 2
1 102 . 1 1 A 10 10 ARG HA H 10 4.580 4.805 -0.225 2
1 110 . 1 1 A 10 10 ARG C C 10 173.300 173.650 -0.350 2
1 111 . 1 1 A 10 10 ARG CA C 10 54.400 54.820 -0.420 2
1 112 . 1 1 A 10 10 ARG CB C 10 34.400 34.446 -0.046 2
1 115 . 1 1 A 10 10 ARG N N 10 125.200 123.895 1.305 2
1 117 . 1 1 A 11 11 GLU H H 11 8.380 8.840 -0.460 2
1 118 . 1 1 A 11 11 GLU HA H 11 4.860 4.993 -0.133 2
1 123 . 1 1 A 11 11 GLU C C 11 176.900 175.748 1.152 2
1 124 . 1 1 A 11 11 GLU CA C 11 54.800 55.308 -0.508 2
1 125 . 1 1 A 11 11 GLU CB C 11 30.000 31.858 -1.858 2
1 127 . 1 1 A 11 11 GLU N N 11 123.300 125.812 -2.512 2
1 128 . 1 1 A 12 12 VAL H H 12 9.070 8.911 0.159 2
1 129 . 1 1 A 12 12 VAL HA H 12 4.870 4.778 0.092 2
1 137 . 1 1 A 12 12 VAL C C 12 175.200 175.208 -0.008 2
1 138 . 1 1 A 12 12 VAL CA C 12 58.600 59.058 -0.458 2
1 139 . 1 1 A 12 12 VAL CB C 12 34.400 35.169 -0.769 2
1 142 . 1 1 A 12 12 VAL N N 12 119.600 120.733 -1.133 2
1 143 . 1 1 A 13 13 GLN H H 13 10.260 8.629 1.631 2
1 144 . 1 1 A 13 13 GLN HA H 13 4.550 4.499 0.051 2
1 149 . 1 1 A 13 13 GLN C C 13 177.700 175.982 1.718 2
1 150 . 1 1 A 13 13 GLN CA C 13 55.200 55.664 -0.464 2
1 151 . 1 1 A 13 13 GLN CB C 13 30.000 29.429 0.571 2
1 152 . 1 1 A 13 13 GLN N N 13 120.900 121.209 -0.309 2
1 153 . 1 1 A 14 14 SER H H 14 8.190 7.714 0.476 2
1 154 . 1 1 A 14 14 SER HA H 14 4.100 4.348 -0.248 2
1 157 . 1 1 A 14 14 SER C C 14 171.700 174.786 -3.086 2
1 158 . 1 1 A 14 14 SER CA C 14 61.000 58.937 2.063 2
1 159 . 1 1 A 14 14 SER CB C 14 65.300 64.061 1.239 2
1 160 . 1 1 A 14 14 SER N N 14 118.500 116.543 1.957 2
1 161 . 1 1 A 15 15 ALA H H 15 8.320 8.649 -0.329 2
1 162 . 1 1 A 15 15 ALA HA H 15 4.610 4.482 0.128 2
1 166 . 1 1 A 15 15 ALA C C 15 177.900 176.689 1.211 2
1 167 . 1 1 A 15 15 ALA CA C 15 51.200 52.240 -1.040 2
1 168 . 1 1 A 15 15 ALA CB C 15 20.100 19.833 0.267 2
1 169 . 1 1 A 15 15 ALA N N 15 118.500 124.985 -6.485 2
1 170 . 1 1 A 16 16 SER H H 16 7.480 7.552 -0.072 2
1 171 . 1 1 A 16 16 SER HA H 16 5.390 4.735 0.655 2
1 174 . 1 1 A 16 16 SER C C 16 174.600 173.973 0.627 2
1 175 . 1 1 A 16 16 SER CA C 16 55.600 56.830 -1.230 2
1 176 . 1 1 A 16 16 SER CB C 16 67.400 65.731 1.668 2
1 177 . 1 1 A 16 16 SER N N 16 112.400 111.104 1.296 2
1 178 . 1 1 A 17 17 VAL H H 17 8.810 8.596 0.214 2
1 179 . 1 1 A 17 17 VAL HA H 17 3.120 3.529 -0.409 2
1 187 . 1 1 A 17 17 VAL C C 17 176.500 177.295 -0.795 2
1 188 . 1 1 A 17 17 VAL CA C 17 66.900 66.270 0.630 2
1 189 . 1 1 A 17 17 VAL CB C 17 31.300 31.537 -0.237 2
1 192 . 1 1 A 17 17 VAL N N 17 122.400 123.991 -1.591 2
1 193 . 1 1 A 18 18 ALA H H 18 7.460 8.559 -1.099 2
1 194 . 1 1 A 18 18 ALA HA H 18 4.000 4.066 -0.066 2
1 198 . 1 1 A 18 18 ALA C C 18 179.600 179.508 0.092 2
1 199 . 1 1 A 18 18 ALA CA C 18 55.300 55.748 -0.448 2
1 200 . 1 1 A 18 18 ALA CB C 18 18.800 18.065 0.735 2
1 201 . 1 1 A 18 18 ALA N N 18 119.300 122.131 -2.831 2
1 202 . 1 1 A 19 19 ALA H H 19 7.620 7.815 -0.195 2
1 203 . 1 1 A 19 19 ALA HA H 19 4.130 4.167 -0.037 2
1 207 . 1 1 A 19 19 ALA C C 19 179.500 180.090 -0.590 2
1 208 . 1 1 A 19 19 ALA CA C 19 55.000 55.068 -0.068 2
1 209 . 1 1 A 19 19 ALA CB C 19 17.400 17.988 -0.588 2
1 210 . 1 1 A 19 19 ALA N N 19 120.000 120.961 -0.961 2
1 211 . 1 1 A 20 20 LEU H H 20 8.260 8.084 0.176 2
1 212 . 1 1 A 20 20 LEU HA H 20 4.120 4.134 -0.014 2
1 221 . 1 1 A 20 20 LEU C C 20 177.700 178.684 -0.984 2
1 222 . 1 1 A 20 20 LEU CA C 20 57.500 57.811 -0.311 2
1 223 . 1 1 A 20 20 LEU CB C 20 42.000 41.560 0.440 2
1 226 . 1 1 A 20 20 LEU N N 20 121.900 120.095 1.805 2
1 227 . 1 1 A 21 21 MET H H 21 8.020 8.230 -0.210 2
1 228 . 1 1 A 21 21 MET HA H 21 4.130 4.133 -0.003 2
1 230 . 1 1 A 21 21 MET C C 21 179.300 178.788 0.512 2
1 231 . 1 1 A 21 21 MET CA C 21 57.000 58.705 -1.705 2
1 232 . 1 1 A 21 21 MET CB C 21 30.300 32.532 -2.232 2
1 233 . 1 1 A 21 21 MET N N 21 115.800 117.850 -2.050 2
1 234 . 1 1 A 22 22 THR H H 22 7.380 7.780 -0.400 2
1 235 . 1 1 A 22 22 THR HA H 22 3.950 3.943 0.007 2
1 240 . 1 1 A 22 22 THR C C 22 177.300 176.316 0.984 2
1 241 . 1 1 A 22 22 THR CA C 22 66.600 67.333 -0.733 2
1 242 . 1 1 A 22 22 THR CB C 22 68.200 68.336 -0.136 2
1 244 . 1 1 A 22 22 THR N N 22 116.500 115.712 0.788 2
1 245 . 1 1 A 23 23 GLU H H 23 8.650 8.184 0.466 2
1 246 . 1 1 A 23 23 GLU HA H 23 3.960 4.040 -0.080 2
1 251 . 1 1 A 23 23 GLU C C 23 177.900 178.350 -0.450 2
1 252 . 1 1 A 23 23 GLU CA C 23 59.500 58.996 0.504 2
1 253 . 1 1 A 23 23 GLU CB C 23 29.600 29.398 0.202 2
1 255 . 1 1 A 23 23 GLU N N 23 128.000 120.990 7.010 2
1 256 . 1 1 A 24 24 LEU H H 24 8.140 7.772 0.368 2
1 257 . 1 1 A 24 24 LEU HA H 24 4.200 4.269 -0.069 2
1 266 . 1 1 A 24 24 LEU C C 24 175.800 175.729 0.071 2
1 267 . 1 1 A 24 24 LEU CA C 24 54.200 54.892 -0.692 2
1 268 . 1 1 A 24 24 LEU CB C 24 41.900 41.830 0.070 2
1 271 . 1 1 A 24 24 LEU N N 24 115.900 118.073 -2.173 2
1 272 . 1 1 A 25 25 ASP H H 25 7.980 8.075 -0.095 2
1 273 . 1 1 A 25 25 ASP HA H 25 4.440 4.339 0.101 2
1 276 . 1 1 A 25 25 ASP C C 25 175.800 176.010 -0.210 2
1 277 . 1 1 A 25 25 ASP CA C 25 55.200 55.370 -0.170 2
1 278 . 1 1 A 25 25 ASP CB C 25 39.400 39.080 0.320 2
1 279 . 1 1 A 25 25 ASP N N 25 118.400 116.592 1.808 2
1 280 . 1 1 A 26 26 CYS H H 26 8.510 7.881 0.629 2
1 281 . 1 1 A 26 26 CYS HA H 26 4.460 4.329 0.131 2
1 284 . 1 1 A 26 26 CYS C C 26 174.300 174.988 -0.688 2
1 285 . 1 1 A 26 26 CYS CA C 26 58.500 61.013 -2.513 2
1 286 . 1 1 A 26 26 CYS CB C 26 27.100 27.551 -0.451 2
1 287 . 1 1 A 26 26 CYS N N 26 117.000 117.097 -0.097 2
1 288 . 1 1 A 27 27 THR H H 27 7.810 7.851 -0.041 2
1 289 . 1 1 A 27 27 THR HA H 27 4.450 4.219 0.231 2
1 291 . 1 1 A 27 27 THR CA C 27 62.200 64.018 -1.818 2
1 292 . 1 1 A 27 27 THR CB C 27 69.400 68.359 1.041 2
1 293 . 1 1 A 27 27 THR N N 27 107.800 114.695 -6.895 2
1 294 . 1 1 A 29 29 GLY H H 29 8.440 8.386 0.054 2
1 295 . 1 1 A 29 29 GLY HA2 H 29 3.890 3.888 0.002 2
1 296 . 1 1 A 29 29 GLY HA3 H 29 3.970 4.041 -0.071 2
1 297 . 1 1 A 29 29 GLY C C 29 173.800 174.725 -0.925 2
1 298 . 1 1 A 29 29 GLY CA C 29 45.800 45.494 0.306 2
1 299 . 1 1 A 29 29 GLY N N 29 108.100 108.970 -0.870 2
1 300 . 1 1 A 30 30 HIS H H 30 8.210 8.171 0.039 2
1 301 . 1 1 A 30 30 HIS HA H 30 4.650 4.395 0.255 2
1 305 . 1 1 A 30 30 HIS C C 30 173.500 174.505 -1.005 2
1 306 . 1 1 A 30 30 HIS CA C 30 55.600 56.805 -1.205 2
1 307 . 1 1 A 30 30 HIS CB C 30 28.700 29.282 -0.582 2
1 309 . 1 1 A 30 30 HIS N N 30 117.300 118.272 -0.972 2
1 310 . 1 1 A 31 31 PHE H H 31 7.520 7.904 -0.384 2
1 311 . 1 1 A 31 31 PHE HA H 31 5.050 4.883 0.167 2
1 316 . 1 1 A 31 31 PHE C C 31 175.200 175.276 -0.076 2
1 317 . 1 1 A 31 31 PHE CA C 31 58.000 57.032 0.968 2
1 318 . 1 1 A 31 31 PHE CB C 31 41.200 41.373 -0.172 2
1 321 . 1 1 A 31 31 PHE N N 31 117.000 118.817 -1.817 2
1 322 . 1 1 A 32 32 ALA H H 32 9.010 8.871 0.139 2
1 323 . 1 1 A 32 32 ALA HA H 32 5.010 5.574 -0.564 2
1 327 . 1 1 A 32 32 ALA C C 32 174.800 176.472 -1.672 2
1 328 . 1 1 A 32 32 ALA CA C 32 50.400 50.579 -0.179 2
1 329 . 1 1 A 32 32 ALA CB C 32 22.500 22.985 -0.485 2
1 330 . 1 1 A 32 32 ALA N N 32 123.800 122.960 0.840 2
1 331 . 1 1 A 33 33 VAL H H 33 9.350 8.906 0.444 2
1 332 . 1 1 A 33 33 VAL HA H 33 5.130 5.068 0.062 2
1 340 . 1 1 A 33 33 VAL C C 33 172.400 174.272 -1.872 2
1 341 . 1 1 A 33 33 VAL CA C 33 59.700 59.172 0.528 2
1 342 . 1 1 A 33 33 VAL CB C 33 35.000 35.557 -0.557 2
1 345 . 1 1 A 33 33 VAL N N 33 120.200 112.742 7.458 2
1 346 . 1 1 A 34 34 ALA H H 34 9.100 8.754 0.346 2
1 347 . 1 1 A 34 34 ALA HA H 34 5.130 5.466 -0.336 2
1 351 . 1 1 A 34 34 ALA C C 34 174.900 174.967 -0.067 2
1 352 . 1 1 A 34 34 ALA CA C 34 49.600 50.538 -0.938 2
1 353 . 1 1 A 34 34 ALA CB C 34 21.200 22.341 -1.141 2
1 354 . 1 1 A 34 34 ALA N N 34 127.800 124.151 3.649 2
1 355 . 1 1 A 35 35 LEU H H 35 8.680 9.107 -0.427 2
1 356 . 1 1 A 35 35 LEU HA H 35 4.750 4.762 -0.012 2
1 366 . 1 1 A 35 35 LEU C C 35 175.700 175.720 -0.020 2
1 367 . 1 1 A 35 35 LEU CA C 35 53.200 53.564 -0.364 2
1 368 . 1 1 A 35 35 LEU CB C 35 45.600 44.625 0.975 2
1 372 . 1 1 A 35 35 LEU N N 35 125.000 124.791 0.209 2
1 373 . 1 1 A 36 36 ASN H H 36 9.960 9.148 0.812 2
1 374 . 1 1 A 36 36 ASN HA H 36 3.890 4.364 -0.474 2
1 379 . 1 1 A 36 36 ASN C C 36 174.500 174.707 -0.207 2
1 380 . 1 1 A 36 36 ASN CA C 36 54.900 54.634 0.266 2
1 381 . 1 1 A 36 36 ASN CB C 36 36.800 37.009 -0.209 2
1 382 . 1 1 A 36 36 ASN N N 36 127.300 126.130 1.170 2
1 384 . 1 1 A 37 37 TYR H H 37 8.750 8.339 0.411 2
1 385 . 1 1 A 37 37 TYR HA H 37 3.720 4.176 -0.456 2
1 392 . 1 1 A 37 37 TYR C C 37 174.100 174.055 0.045 2
1 393 . 1 1 A 37 37 TYR CA C 37 59.900 58.854 1.046 2
1 394 . 1 1 A 37 37 TYR CB C 37 35.300 36.285 -0.985 2
1 399 . 1 1 A 37 37 TYR N N 37 107.500 113.232 -5.732 2
1 400 . 1 1 A 38 38 ASP H H 38 7.590 7.759 -0.169 2
1 401 . 1 1 A 38 38 ASP HA H 38 5.090 4.955 0.135 2
1 404 . 1 1 A 38 38 ASP C C 38 175.400 174.688 0.712 2
1 405 . 1 1 A 38 38 ASP CA C 38 53.100 53.607 -0.507 2
1 406 . 1 1 A 38 38 ASP CB C 38 42.900 44.188 -1.288 2
1 407 . 1 1 A 38 38 ASP N N 38 119.900 118.824 1.076 2
1 408 . 1 1 A 39 39 VAL H H 39 8.590 8.746 -0.156 2
1 409 . 1 1 A 39 39 VAL HA H 39 4.220 4.457 -0.237 2
1 417 . 1 1 A 39 39 VAL C C 39 176.600 175.379 1.221 2
1 418 . 1 1 A 39 39 VAL CA C 39 63.600 62.979 0.621 2
1 419 . 1 1 A 39 39 VAL CB C 39 31.700 32.049 -0.349 2
1 422 . 1 1 A 39 39 VAL N N 39 124.300 125.764 -1.464 2
1 423 . 1 1 A 40 40 VAL H H 40 8.970 8.610 0.360 2
1 424 . 1 1 A 40 40 VAL HA H 40 4.600 4.599 0.001 2
1 432 . 1 1 A 40 40 VAL CA C 40 59.100 58.890 0.210 2
1 433 . 1 1 A 40 40 VAL CB C 40 32.500 33.599 -1.099 2
1 436 . 1 1 A 40 40 VAL N N 40 130.800 127.220 3.580 2
1 437 . 1 1 A 41 41 PRO HA H 41 4.580 4.659 -0.079 2
1 444 . 1 1 A 41 41 PRO C C 41 177.700 177.472 0.228 2
1 445 . 1 1 A 41 41 PRO CA C 41 62.800 62.608 0.192 2
1 446 . 1 1 A 41 41 PRO CB C 41 32.300 32.694 -0.394 2
1 449 . 1 1 A 42 42 ARG H H 42 8.640 8.381 0.259 2
1 450 . 1 1 A 42 42 ARG HA H 42 1.890 2.040 -0.150 2
1 458 . 1 1 A 42 42 ARG C C 42 178.800 176.809 1.991 2
1 459 . 1 1 A 42 42 ARG CA C 42 58.100 57.697 0.403 2
1 460 . 1 1 A 42 42 ARG CB C 42 29.600 29.055 0.545 2
1 462 . 1 1 A 42 42 ARG N N 42 124.000 122.353 1.647 2
1 464 . 1 1 A 43 43 GLY H H 43 8.690 7.983 0.707 2
1 465 . 1 1 A 43 43 GLY HA2 H 43 3.770 3.858 -0.088 2
1 466 . 1 1 A 43 43 GLY HA3 H 43 3.870 3.887 -0.017 2
1 467 . 1 1 A 43 43 GLY C C 43 174.600 174.495 0.105 2
1 468 . 1 1 A 43 43 GLY CA C 43 45.800 45.641 0.159 2
1 469 . 1 1 A 43 43 GLY N N 43 106.000 107.984 -1.984 2
1 470 . 1 1 A 44 44 LYS H H 44 8.260 7.975 0.285 2
1 471 . 1 1 A 44 44 LYS HA H 44 4.840 4.535 0.305 2
1 480 . 1 1 A 44 44 LYS C C 44 179.200 177.218 1.982 2
1 481 . 1 1 A 44 44 LYS CA C 44 54.500 55.894 -1.394 2
1 482 . 1 1 A 44 44 LYS CB C 44 32.900 33.017 -0.117 2
1 486 . 1 1 A 44 44 LYS N N 44 115.900 118.298 -2.398 2
1 487 . 1 1 A 45 45 TRP H H 45 8.120 7.777 0.343 2
1 488 . 1 1 A 45 45 TRP HA H 45 4.350 4.403 -0.053 2
1 497 . 1 1 A 45 45 TRP C C 45 178.400 178.534 -0.134 2
1 498 . 1 1 A 45 45 TRP CA C 45 60.500 59.893 0.607 2
1 499 . 1 1 A 45 45 TRP CB C 45 28.500 29.318 -0.818 2
1 505 . 1 1 A 45 45 TRP N N 45 124.800 120.627 4.173 2
1 507 . 1 1 A 46 46 ASP H H 46 8.950 8.587 0.363 2
1 508 . 1 1 A 46 46 ASP HA H 46 4.460 4.420 0.040 2
1 511 . 1 1 A 46 46 ASP C C 46 176.800 177.833 -1.033 2
1 512 . 1 1 A 46 46 ASP CA C 46 56.900 57.361 -0.461 2
1 513 . 1 1 A 46 46 ASP CB C 46 40.400 40.770 -0.370 2
1 514 . 1 1 A 46 46 ASP N N 46 117.400 120.161 -2.761 2
1 515 . 1 1 A 47 47 GLU H H 47 7.530 7.866 -0.336 2
1 516 . 1 1 A 47 47 GLU HA H 47 4.580 4.402 0.178 2
1 521 . 1 1 A 47 47 GLU C C 47 175.500 175.145 0.355 2
1 522 . 1 1 A 47 47 GLU CA C 47 55.300 56.648 -1.348 2
1 523 . 1 1 A 47 47 GLU CB C 47 30.800 30.240 0.560 2
1 525 . 1 1 A 47 47 GLU N N 47 114.500 116.619 -2.119 2
1 526 . 1 1 A 48 48 THR H H 48 7.230 7.480 -0.250 2
1 527 . 1 1 A 48 48 THR HA H 48 4.700 4.646 0.054 2
1 532 . 1 1 A 48 48 THR CA C 48 60.800 59.180 1.620 2
1 533 . 1 1 A 48 48 THR CB C 48 70.100 69.783 0.317 2
1 534 . 1 1 A 48 48 THR N N 48 119.900 115.819 4.081 2
1 535 . 1 1 A 49 49 PRO HA H 49 4.890 4.682 0.208 2
1 542 . 1 1 A 49 49 PRO C C 49 175.400 175.411 -0.011 2
1 543 . 1 1 A 49 49 PRO CA C 49 62.100 62.442 -0.342 2
1 544 . 1 1 A 49 49 PRO CB C 49 32.900 32.580 0.320 2
1 547 . 1 1 A 50 50 VAL H H 50 6.960 8.406 -1.446 2
1 548 . 1 1 A 50 50 VAL HA H 50 4.030 4.727 -0.697 2
1 556 . 1 1 A 50 50 VAL C C 50 173.800 174.713 -0.913 2
1 557 . 1 1 A 50 50 VAL CA C 50 61.400 60.525 0.875 2
1 558 . 1 1 A 50 50 VAL CB C 50 33.900 34.044 -0.144 2
1 561 . 1 1 A 50 50 VAL N N 50 119.400 120.630 -1.230 2
1 562 . 1 1 A 51 51 THR H H 51 8.940 8.968 -0.028 2
1 563 . 1 1 A 51 51 THR HA H 51 4.460 4.792 -0.332 2
1 568 . 1 1 A 51 51 THR C C 51 172.300 174.029 -1.729 2
1 569 . 1 1 A 51 51 THR CA C 51 60.600 61.195 -0.595 2
1 570 . 1 1 A 51 51 THR CB C 51 71.000 70.961 0.039 2
1 571 . 1 1 A 51 51 THR N N 51 122.600 124.096 -1.496 2
1 572 . 1 1 A 52 52 ALA H H 52 8.150 8.574 -0.424 2
1 573 . 1 1 A 52 52 ALA HA H 52 3.940 3.950 -0.010 2
1 577 . 1 1 A 52 52 ALA C C 52 179.100 178.125 0.975 2
1 578 . 1 1 A 52 52 ALA CA C 52 53.700 53.873 -0.173 2
1 579 . 1 1 A 52 52 ALA CB C 52 18.200 18.408 -0.208 2
1 580 . 1 1 A 52 52 ALA N N 52 125.400 129.082 -3.682 2
1 581 . 1 1 A 53 53 GLY H H 53 9.160 8.814 0.346 2
1 582 . 1 1 A 53 53 GLY HA2 H 53 3.670 4.020 -0.350 2
1 583 . 1 1 A 53 53 GLY HA3 H 53 4.310 4.022 0.288 2
1 584 . 1 1 A 53 53 GLY C C 53 174.900 174.400 0.500 2
1 585 . 1 1 A 53 53 GLY CA C 53 44.700 45.123 -0.423 2
1 586 . 1 1 A 53 53 GLY N N 53 111.000 111.059 -0.059 2
1 587 . 1 1 A 54 54 ASP H H 54 8.180 8.031 0.149 2
1 588 . 1 1 A 54 54 ASP HA H 54 4.700 4.643 0.057 2
1 591 . 1 1 A 54 54 ASP C C 54 174.600 175.597 -0.997 2
1 592 . 1 1 A 54 54 ASP CA C 54 56.100 54.674 1.426 2
1 593 . 1 1 A 54 54 ASP CB C 54 41.800 41.761 0.039 2
1 594 . 1 1 A 54 54 ASP N N 54 122.700 121.750 0.950 2
1 595 . 1 1 A 55 55 GLU H H 55 8.160 8.590 -0.430 2
1 596 . 1 1 A 55 55 GLU HA H 55 4.730 4.668 0.062 2
1 601 . 1 1 A 55 55 GLU C C 55 175.000 175.433 -0.433 2
1 602 . 1 1 A 55 55 GLU CA C 55 55.100 56.027 -0.927 2
1 603 . 1 1 A 55 55 GLU CB C 55 30.500 30.514 -0.014 2
1 605 . 1 1 A 55 55 GLU N N 55 118.800 122.590 -3.790 2
1 606 . 1 1 A 56 56 ILE H H 56 9.320 8.897 0.423 2
1 607 . 1 1 A 56 56 ILE HA H 56 4.950 4.998 -0.048 2
1 617 . 1 1 A 56 56 ILE C C 56 175.100 175.030 0.070 2
1 618 . 1 1 A 56 56 ILE CA C 56 59.800 59.926 -0.126 2
1 619 . 1 1 A 56 56 ILE CB C 56 40.200 40.601 -0.401 2
1 623 . 1 1 A 56 56 ILE N N 56 127.400 126.561 0.839 2
1 624 . 1 1 A 57 57 GLU H H 57 9.170 8.715 0.455 2
1 625 . 1 1 A 57 57 GLU HA H 57 5.000 5.100 -0.100 2
1 630 . 1 1 A 57 57 GLU C C 57 174.100 175.107 -1.007 2
1 631 . 1 1 A 57 57 GLU CA C 57 54.400 54.505 -0.105 2
1 632 . 1 1 A 57 57 GLU CB C 57 32.900 33.193 -0.293 2
1 634 . 1 1 A 57 57 GLU N N 57 129.600 125.783 3.817 2
1 635 . 1 1 A 58 58 ILE H H 58 9.500 9.011 0.489 2
1 636 . 1 1 A 58 58 ILE HA H 58 4.610 4.748 -0.138 2
1 646 . 1 1 A 58 58 ILE C C 58 175.900 175.275 0.625 2
1 647 . 1 1 A 58 58 ILE CA C 58 59.900 59.422 0.478 2
1 648 . 1 1 A 58 58 ILE CB C 58 37.800 38.971 -1.171 2
1 652 . 1 1 A 58 58 ILE N N 58 126.500 124.645 1.855 2
1 653 . 1 1 A 59 59 LEU H H 59 9.150 8.707 0.443 2
1 654 . 1 1 A 59 59 LEU HA H 59 4.840 4.754 0.086 2
1 663 . 1 1 A 59 59 LEU C C 59 175.800 176.332 -0.532 2
1 664 . 1 1 A 59 59 LEU CA C 59 53.800 54.307 -0.507 2
1 665 . 1 1 A 59 59 LEU CB C 59 44.300 43.034 1.266 2
1 668 . 1 1 A 59 59 LEU N N 59 129.800 128.502 1.298 2
1 669 . 1 1 A 60 60 THR H H 60 8.470 8.719 -0.249 2
1 673 . 1 1 A 60 60 THR CA C 60 58.200 58.744 -0.544 2
1 674 . 1 1 A 60 60 THR CB C 60 69.900 69.372 0.528 2
1 676 . 1 1 A 60 60 THR N N 60 114.300 116.090 -1.790 2
1 677 . 1 1 A 61 61 PRO HA H 61 4.400 4.556 -0.156 2
1 680 . 1 1 A 61 61 PRO CA C 61 63.200 63.551 -0.351 2
1 681 . 1 1 A 61 61 PRO CB C 61 32.100 32.042 0.058 2
1 682 . 1 1 A 62 62 ARG HA H 62 4.260 4.298 -0.038 2
1 689 . 1 1 A 62 62 ARG C C 62 176.500 175.790 0.710 2
1 690 . 1 1 A 62 62 ARG CA C 62 56.500 56.450 0.050 2
1 691 . 1 1 A 62 62 ARG CB C 62 30.500 30.313 0.187 2
1 694 . 1 1 A 63 63 GLN H H 63 8.500 8.421 0.079 2
1 695 . 1 1 A 63 63 GLN HA H 63 4.250 4.397 -0.147 2
1 702 . 1 1 A 63 63 GLN C C 63 176.400 176.323 0.077 2
1 703 . 1 1 A 63 63 GLN CA C 63 56.000 56.635 -0.635 2
1 704 . 1 1 A 63 63 GLN CB C 63 29.200 29.551 -0.351 2
1 706 . 1 1 A 63 63 GLN N N 63 121.700 120.911 0.789 2
1 708 . 1 1 A 64 64 GLY H H 64 8.330 8.322 0.008 2
1 709 . 1 1 A 64 64 GLY HA2 H 64 3.940 4.058 -0.118 2
1 710 . 1 1 A 64 64 GLY HA3 H 64 3.940 4.067 -0.127 2
1 711 . 1 1 A 64 64 GLY C C 64 174.500 174.311 0.189 2
1 712 . 1 1 A 64 64 GLY CA C 64 45.300 45.658 -0.358 2
1 713 . 1 1 A 64 64 GLY N N 64 110.100 109.652 0.448 2
1 714 . 1 1 A 65 65 GLY H H 65 8.260 8.343 -0.083 2
1 715 . 1 1 A 65 65 GLY HA2 H 65 3.940 3.979 -0.039 2
1 716 . 1 1 A 65 65 GLY HA3 H 65 3.940 4.001 -0.061 2
1 717 . 1 1 A 65 65 GLY C C 65 174.200 174.029 0.171 2
1 718 . 1 1 A 65 65 GLY CA C 65 45.200 45.545 -0.345 2
1 719 . 1 1 A 65 65 GLY N N 65 108.500 109.035 -0.535 2
1 720 . 1 1 A 66 66 LEU H H 66 8.200 8.392 -0.192 2
1 721 . 1 1 A 66 66 LEU HA H 66 4.250 4.329 -0.079 2
1 730 . 1 1 A 66 66 LEU C C 66 177.400 176.570 0.830 2
1 731 . 1 1 A 66 66 LEU CA C 66 55.200 55.175 0.025 2
1 732 . 1 1 A 66 66 LEU CB C 66 42.300 42.204 0.096 2
1 736 . 1 1 A 66 66 LEU N N 66 121.200 122.027 -0.827 2
1 737 . 1 1 A 67 67 GLU H H 67 8.460 8.394 0.066 2
1 738 . 1 1 A 67 67 GLU HA H 67 4.170 4.343 -0.173 2
1 743 . 1 1 A 67 67 GLU CA C 67 56.500 56.760 -0.260 2
1 744 . 1 1 A 67 67 GLU CB C 67 30.000 30.026 -0.026 2
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