data_15785_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15785
_Entry.PDB_ID 2K45
_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 12 . 1 1 1 A 2 2 LYS N N 2 123.200 117.518 5.682 1
1 13 . 1 1 1 A 2 2 LYS CA C 2 55.550 56.886 -1.336 1
1 14 . 1 1 1 A 2 2 LYS CB C 2 31.730 30.749 0.981 1
1 18 . 1 1 1 A 2 2 LYS H H 2 8.320 8.750 -0.430 1
1 19 . 1 1 1 A 2 2 LYS C C 2 176.041 176.473 -0.432 1
1 20 . 1 1 1 A 2 2 LYS HA H 2 4.413 3.873 0.540 1
1 29 . 1 1 1 A 3 3 LEU N N 3 124.700 119.894 4.806 1
1 30 . 1 1 1 A 3 3 LEU CA C 3 53.800 55.677 -1.877 1
1 31 . 1 1 1 A 3 3 LEU CB C 3 43.351 42.980 0.371 1
1 35 . 1 1 1 A 3 3 LEU C C 3 173.289 176.971 -3.682 1
1 36 . 1 1 1 A 3 3 LEU H H 3 8.319 8.211 0.108 1
1 37 . 1 1 1 A 3 3 LEU HA H 3 4.363 4.425 -0.062 1
1 47 . 1 1 1 A 4 4 GLY N N 4 102.100 105.881 -3.781 1
1 48 . 1 1 1 A 4 4 GLY CA C 4 44.232 44.483 -0.251 1
1 49 . 1 1 1 A 4 4 GLY C C 4 174.476 172.955 1.521 1
1 50 . 1 1 1 A 4 4 GLY H H 4 7.412 7.871 -0.459 1
1 51 . 1 1 1 A 4 4 GLY HA3 H 4 4.367 4.044 0.323 1
1 52 . 1 1 1 A 4 4 GLY HA2 H 4 3.662 4.043 -0.381 1
1 53 . 1 1 1 A 5 5 LYS N N 5 114.993 120.573 -5.580 1
1 54 . 1 1 1 A 5 5 LYS CA C 5 54.807 54.542 0.265 1
1 55 . 1 1 1 A 5 5 LYS CB C 5 36.664 36.785 -0.121 1
1 59 . 1 1 1 A 5 5 LYS C C 5 173.762 174.770 -1.008 1
1 60 . 1 1 1 A 5 5 LYS H H 5 8.748 8.294 0.454 1
1 61 . 1 1 1 A 5 5 LYS HA H 5 5.333 5.172 0.161 1
1 70 . 1 1 1 A 6 6 LEU N N 6 122.195 123.414 -1.219 1
1 71 . 1 1 1 A 6 6 LEU CA C 6 53.760 53.851 -0.091 1
1 72 . 1 1 1 A 6 6 LEU CB C 6 47.948 45.508 2.440 1
1 76 . 1 1 1 A 6 6 LEU C C 6 172.524 174.704 -2.180 1
1 77 . 1 1 1 A 6 6 LEU H H 6 9.058 9.453 -0.395 1
1 78 . 1 1 1 A 6 6 LEU HA H 6 5.312 5.655 -0.343 1
1 88 . 1 1 1 A 7 7 GLN N N 7 127.800 126.457 1.343 1
1 90 . 1 1 1 A 7 7 GLN CA C 7 52.595 55.173 -2.578 1
1 91 . 1 1 1 A 7 7 GLN CB C 7 28.032 30.139 -2.107 1
1 93 . 1 1 1 A 7 7 GLN C C 7 173.707 175.449 -1.742 1
1 94 . 1 1 1 A 7 7 GLN H H 7 8.945 8.477 0.468 1
1 95 . 1 1 1 A 7 7 GLN HA H 7 5.170 5.065 0.105 1
1 102 . 1 1 1 A 8 8 TYR N N 8 125.700 120.061 5.639 1
1 103 . 1 1 1 A 8 8 TYR CA C 8 54.578 55.696 -1.118 1
1 104 . 1 1 1 A 8 8 TYR CB C 8 42.236 41.864 0.372 1
1 105 . 1 1 1 A 8 8 TYR C C 8 171.582 173.410 -1.828 1
1 106 . 1 1 1 A 8 8 TYR H H 8 8.445 9.037 -0.592 1
1 107 . 1 1 1 A 8 8 TYR HA H 8 5.401 5.623 -0.222 1
1 110 . 1 1 1 A 9 9 SER N N 9 113.300 114.582 -1.282 1
1 111 . 1 1 1 A 9 9 SER H H 9 9.486 9.296 0.190 1
1 112 . 1 1 1 A 9 9 SER CA C 9 55.195 57.117 -1.922 1
1 113 . 1 1 1 A 9 9 SER CB C 9 67.116 65.089 2.027 1
1 114 . 1 1 1 A 9 9 SER C C 9 173.486 172.813 0.673 1
1 115 . 1 1 1 A 9 9 SER HA H 9 5.400 5.643 -0.243 1
1 118 . 1 1 1 A 10 10 LEU N N 10 120.700 127.268 -6.568 1
1 119 . 1 1 1 A 10 10 LEU CA C 10 53.388 53.592 -0.204 1
1 120 . 1 1 1 A 10 10 LEU CB C 10 46.946 44.199 2.747 1
1 121 . 1 1 1 A 10 10 LEU C C 10 174.640 175.179 -0.539 1
1 125 . 1 1 1 A 10 10 LEU H H 10 8.698 9.224 -0.526 1
1 126 . 1 1 1 A 10 10 LEU HA H 10 5.471 5.214 0.257 1
1 136 . 1 1 1 A 11 11 ASP N N 11 119.760 123.786 -4.026 1
1 137 . 1 1 1 A 11 11 ASP CA C 11 52.525 52.786 -0.261 1
1 138 . 1 1 1 A 11 11 ASP CB C 11 44.683 45.580 -0.897 1
1 139 . 1 1 1 A 11 11 ASP C C 11 173.093 174.133 -1.040 1
1 140 . 1 1 1 A 11 11 ASP H H 11 8.673 9.020 -0.347 1
1 141 . 1 1 1 A 11 11 ASP HA H 11 5.126 5.566 -0.440 1
1 144 . 1 1 1 A 12 12 TYR N N 12 124.200 117.547 6.653 1
1 145 . 1 1 1 A 12 12 TYR CA C 12 57.883 55.487 2.396 1
1 146 . 1 1 1 A 12 12 TYR CB C 12 40.054 41.655 -1.601 1
1 147 . 1 1 1 A 12 12 TYR C C 12 171.962 172.919 -0.957 1
1 148 . 1 1 1 A 12 12 TYR H H 12 8.898 9.078 -0.180 1
1 149 . 1 1 1 A 12 12 TYR HA H 12 4.609 5.700 -1.091 1
1 154 . 1 1 1 A 13 13 ASP N N 13 126.400 124.640 1.760 1
1 155 . 1 1 1 A 13 13 ASP CA C 13 51.141 52.224 -1.083 1
1 156 . 1 1 1 A 13 13 ASP CB C 13 40.891 40.746 0.145 1
1 157 . 1 1 1 A 13 13 ASP C C 13 175.599 176.271 -0.672 1
1 158 . 1 1 1 A 13 13 ASP H H 13 8.018 8.321 -0.303 1
1 159 . 1 1 1 A 13 13 ASP HA H 13 4.591 4.609 -0.018 1
1 162 . 1 1 1 A 14 14 PHE N N 14 123.575 126.136 -2.561 1
1 163 . 1 1 1 A 14 14 PHE CA C 14 60.734 59.905 0.829 1
1 164 . 1 1 1 A 14 14 PHE CB C 14 38.821 40.139 -1.318 1
1 165 . 1 1 1 A 14 14 PHE C C 14 176.704 176.682 0.022 1
1 166 . 1 1 1 A 14 14 PHE H H 14 8.540 8.917 -0.377 1
1 167 . 1 1 1 A 14 14 PHE HA H 14 4.187 4.344 -0.157 1
1 170 . 1 1 1 A 15 15 GLN N N 15 118.500 115.456 3.044 1
1 172 . 1 1 1 A 15 15 GLN CA C 15 57.927 55.916 2.011 1
1 173 . 1 1 1 A 15 15 GLN CB C 15 28.129 27.790 0.339 1
1 175 . 1 1 1 A 15 15 GLN C C 15 176.646 176.633 0.013 1
1 176 . 1 1 1 A 15 15 GLN H H 15 8.307 8.212 0.095 1
1 177 . 1 1 1 A 15 15 GLN HA H 15 4.150 4.190 -0.040 1
1 184 . 1 1 1 A 16 16 ASN N N 16 113.392 116.738 -3.346 1
1 185 . 1 1 1 A 16 16 ASN CA C 16 52.051 51.784 0.267 1
1 186 . 1 1 1 A 16 16 ASN CB C 16 39.238 37.901 1.337 1
1 187 . 1 1 1 A 16 16 ASN C C 16 173.191 174.996 -1.805 1
1 188 . 1 1 1 A 16 16 ASN H H 16 7.347 7.573 -0.226 1
1 189 . 1 1 1 A 16 16 ASN HA H 16 4.682 4.630 0.052 1
1 195 . 1 1 1 A 17 17 ASN N N 17 118.200 115.640 2.560 1
1 196 . 1 1 1 A 17 17 ASN CA C 17 54.524 54.287 0.237 1
1 197 . 1 1 1 A 17 17 ASN CB C 17 36.825 36.653 0.172 1
1 198 . 1 1 1 A 17 17 ASN C C 17 175.797 173.458 2.339 1
1 199 . 1 1 1 A 17 17 ASN H H 17 7.682 7.879 -0.197 1
1 200 . 1 1 1 A 17 17 ASN HA H 17 4.300 3.888 0.412 1
1 206 . 1 1 1 A 18 18 GLN N N 18 110.518 112.500 -1.982 1
1 208 . 1 1 1 A 18 18 GLN CA C 18 52.888 53.886 -0.998 1
1 209 . 1 1 1 A 18 18 GLN CB C 18 31.353 31.743 -0.390 1
1 211 . 1 1 1 A 18 18 GLN C C 18 171.717 174.043 -2.326 1
1 212 . 1 1 1 A 18 18 GLN H H 18 6.757 7.315 -0.558 1
1 213 . 1 1 1 A 18 18 GLN HA H 18 4.911 4.854 0.057 1
1 220 . 1 1 1 A 19 19 LEU N N 19 124.400 123.726 0.674 1
1 221 . 1 1 1 A 19 19 LEU CA C 19 53.873 53.682 0.191 1
1 222 . 1 1 1 A 19 19 LEU CB C 19 44.558 42.491 2.067 1
1 226 . 1 1 1 A 19 19 LEU C C 19 173.731 175.989 -2.258 1
1 227 . 1 1 1 A 19 19 LEU H H 19 9.048 9.050 -0.002 1
1 228 . 1 1 1 A 19 19 LEU HA H 19 4.543 4.620 -0.077 1
1 238 . 1 1 1 A 20 20 LEU N N 20 128.415 121.466 6.949 1
1 239 . 1 1 1 A 20 20 LEU CA C 20 53.695 53.532 0.163 1
1 240 . 1 1 1 A 20 20 LEU CB C 20 41.956 45.298 -3.342 1
1 244 . 1 1 1 A 20 20 LEU C C 20 175.696 175.697 -0.001 1
1 245 . 1 1 1 A 20 20 LEU H H 20 9.021 8.916 0.105 1
1 246 . 1 1 1 A 20 20 LEU HA H 20 4.852 5.170 -0.318 1
1 256 . 1 1 1 A 21 21 VAL N N 21 125.838 124.431 1.407 1
1 257 . 1 1 1 A 21 21 VAL CA C 21 60.511 61.425 -0.914 1
1 258 . 1 1 1 A 21 21 VAL CB C 21 45.331 32.809 12.522 1
1 260 . 1 1 1 A 21 21 VAL C C 21 173.979 175.072 -1.093 1
1 261 . 1 1 1 A 21 21 VAL H H 21 9.073 8.880 0.193 1
1 262 . 1 1 1 A 21 21 VAL HA H 21 4.853 4.574 0.279 1
1 270 . 1 1 1 A 22 22 GLY N N 22 117.254 113.795 3.459 1
1 271 . 1 1 1 A 22 22 GLY CA C 22 43.843 46.013 -2.170 1
1 272 . 1 1 1 A 22 22 GLY C C 22 172.485 174.041 -1.556 1
1 273 . 1 1 1 A 22 22 GLY H H 22 9.486 9.017 0.469 1
1 274 . 1 1 1 A 22 22 GLY HA3 H 22 4.653 4.166 0.487 1
1 275 . 1 1 1 A 22 22 GLY HA2 H 22 3.520 4.123 -0.603 1
1 276 . 1 1 1 A 23 23 ILE N N 23 125.106 125.892 -0.786 1
1 277 . 1 1 1 A 23 23 ILE CA C 23 58.182 60.716 -2.534 1
1 278 . 1 1 1 A 23 23 ILE CB C 23 35.290 38.871 -3.581 1
1 282 . 1 1 1 A 23 23 ILE C C 23 174.346 175.835 -1.489 1
1 283 . 1 1 1 A 23 23 ILE H H 23 8.831 8.864 -0.033 1
1 284 . 1 1 1 A 23 23 ILE HA H 23 4.330 4.666 -0.336 1
1 294 . 1 1 1 A 24 24 ILE N N 24 126.735 121.962 4.773 1
1 295 . 1 1 1 A 24 24 ILE CA C 24 65.005 62.716 2.289 1
1 296 . 1 1 1 A 24 24 ILE CB C 24 37.790 38.875 -1.085 1
1 300 . 1 1 1 A 24 24 ILE C C 24 177.149 176.279 0.870 1
1 301 . 1 1 1 A 24 24 ILE H H 24 8.365 8.637 -0.272 1
1 302 . 1 1 1 A 24 24 ILE HA H 24 3.903 4.363 -0.460 1
1 312 . 1 1 1 A 25 25 GLN N N 25 110.662 114.980 -4.318 1
1 314 . 1 1 1 A 25 25 GLN CA C 25 54.295 54.671 -0.376 1
1 315 . 1 1 1 A 25 25 GLN CB C 25 30.953 32.161 -1.208 1
1 317 . 1 1 1 A 25 25 GLN C C 25 171.152 173.411 -2.259 1
1 318 . 1 1 1 A 25 25 GLN H H 25 7.706 7.753 -0.047 1
1 319 . 1 1 1 A 25 25 GLN HA H 25 5.123 4.792 0.331 1
1 325 . 1 1 1 A 26 26 ALA N N 26 121.300 123.231 -1.931 1
1 326 . 1 1 1 A 26 26 ALA CA C 26 49.951 50.160 -0.209 1
1 327 . 1 1 1 A 26 26 ALA CB C 26 22.406 22.484 -0.078 1
1 328 . 1 1 1 A 26 26 ALA C C 26 171.937 175.844 -3.907 1
1 329 . 1 1 1 A 26 26 ALA H H 26 9.195 8.254 0.941 1
1 330 . 1 1 1 A 26 26 ALA HA H 26 5.740 5.617 0.123 1
1 334 . 1 1 1 A 27 27 ALA N N 27 120.100 121.823 -1.723 1
1 335 . 1 1 1 A 27 27 ALA CA C 27 50.524 50.603 -0.079 1
1 336 . 1 1 1 A 27 27 ALA CB C 27 24.047 21.404 2.643 1
1 337 . 1 1 1 A 27 27 ALA C C 27 174.984 176.868 -1.884 1
1 338 . 1 1 1 A 27 27 ALA H H 27 9.118 8.588 0.530 1
1 339 . 1 1 1 A 27 27 ALA HA H 27 5.353 4.812 0.541 1
1 343 . 1 1 1 A 28 28 GLU N N 28 112.600 119.768 -7.168 1
1 344 . 1 1 1 A 28 28 GLU CA C 28 56.032 57.200 -1.168 1
1 345 . 1 1 1 A 28 28 GLU CB C 28 25.966 27.547 -1.581 1
1 347 . 1 1 1 A 28 28 GLU C C 28 174.427 175.652 -1.225 1
1 348 . 1 1 1 A 28 28 GLU H H 28 8.453 8.809 -0.356 1
1 349 . 1 1 1 A 28 28 GLU HA H 28 3.648 3.793 -0.145 1
1 354 . 1 1 1 A 29 29 LEU N N 29 116.093 120.772 -4.679 1
1 355 . 1 1 1 A 29 29 LEU CA C 29 53.295 52.853 0.442 1
1 356 . 1 1 1 A 29 29 LEU CB C 29 39.640 41.163 -1.523 1
1 360 . 1 1 1 A 29 29 LEU C C 29 173.800 174.502 -0.702 1
1 361 . 1 1 1 A 29 29 LEU H H 29 7.951 7.872 0.079 1
1 362 . 1 1 1 A 29 29 LEU HA H 29 4.330 4.569 -0.239 1
1 372 . 1 1 1 A 30 30 PRO CA C 30 61.760 62.773 -1.013 1
1 373 . 1 1 1 A 30 30 PRO CB C 30 31.492 31.928 -0.436 1
1 376 . 1 1 1 A 30 30 PRO C C 30 175.525 176.608 -1.083 1
1 377 . 1 1 1 A 30 30 PRO HA H 30 4.327 4.464 -0.137 1
1 383 . 1 1 1 A 31 31 ALA N N 31 122.487 124.475 -1.988 1
1 384 . 1 1 1 A 31 31 ALA CA C 31 50.604 51.690 -1.086 1
1 385 . 1 1 1 A 31 31 ALA CB C 31 18.576 19.942 -1.366 1
1 386 . 1 1 1 A 31 31 ALA C C 31 177.222 177.557 -0.335 1
1 387 . 1 1 1 A 31 31 ALA H H 31 8.128 8.344 -0.216 1
1 388 . 1 1 1 A 31 31 ALA HA H 31 4.130 4.703 -0.573 1
1 392 . 1 1 1 A 32 32 LEU N N 32 124.400 123.494 0.906 1
1 393 . 1 1 1 A 32 32 LEU CA C 32 55.041 53.853 1.188 1
1 394 . 1 1 1 A 32 32 LEU CB C 32 42.916 42.053 0.863 1
1 398 . 1 1 1 A 32 32 LEU C C 32 176.852 175.009 1.843 1
1 399 . 1 1 1 A 32 32 LEU H H 32 8.035 8.455 -0.420 1
1 400 . 1 1 1 A 32 32 LEU HA H 32 4.240 4.691 -0.451 1
1 410 . 1 1 1 A 33 33 ASP N N 33 119.800 120.110 -0.310 1
1 411 . 1 1 1 A 33 33 ASP CA C 33 52.948 53.067 -0.119 1
1 412 . 1 1 1 A 33 33 ASP CB C 33 41.578 44.747 -3.169 1
1 413 . 1 1 1 A 33 33 ASP C C 33 176.200 173.933 2.267 1
1 414 . 1 1 1 A 33 33 ASP H H 33 8.400 7.348 1.052 1
1 415 . 1 1 1 A 33 33 ASP HA H 33 4.785 5.060 -0.275 1
1 418 . 1 1 1 A 34 34 MET N N 34 120.000 122.460 -2.460 1
1 419 . 1 1 1 A 34 34 MET CA C 34 56.561 54.411 2.150 1
1 420 . 1 1 1 A 34 34 MET CB C 34 31.288 31.042 0.246 1
1 422 . 1 1 1 A 34 34 MET C C 34 176.483 176.557 -0.074 1
1 423 . 1 1 1 A 34 34 MET H H 34 8.492 8.779 -0.287 1
1 424 . 1 1 1 A 34 34 MET HA H 34 4.213 4.497 -0.284 1
1 429 . 1 1 1 A 35 35 GLY N N 35 110.400 109.847 0.553 1
1 430 . 1 1 1 A 35 35 GLY CA C 35 44.884 45.332 -0.448 1
1 431 . 1 1 1 A 35 35 GLY C C 35 174.831 175.099 -0.268 1
1 432 . 1 1 1 A 35 35 GLY H H 35 8.668 8.356 0.312 1
1 433 . 1 1 1 A 35 35 GLY HA3 H 35 4.039 4.080 -0.041 1
1 434 . 1 1 1 A 35 35 GLY HA2 H 35 3.818 4.078 -0.260 1
1 435 . 1 1 1 A 36 36 GLY N N 36 107.400 109.509 -2.109 1
1 436 . 1 1 1 A 36 36 GLY CA C 36 45.427 46.615 -1.188 1
1 437 . 1 1 1 A 36 36 GLY C C 36 173.194 173.595 -0.401 1
1 438 . 1 1 1 A 36 36 GLY H H 36 8.008 8.177 -0.169 1
1 439 . 1 1 1 A 36 36 GLY HA3 H 36 4.000 3.928 0.072 1
1 440 . 1 1 1 A 36 36 GLY HA2 H 36 3.861 3.928 -0.067 1
1 441 . 1 1 1 A 37 37 THR N N 37 111.100 110.402 0.698 1
1 442 . 1 1 1 A 37 37 THR CA C 37 59.954 59.628 0.326 1
1 443 . 1 1 1 A 37 37 THR CB C 37 70.589 72.913 -2.324 1
1 445 . 1 1 1 A 37 37 THR C C 37 171.355 172.709 -1.354 1
1 446 . 1 1 1 A 37 37 THR H H 37 7.476 7.539 -0.063 1
1 447 . 1 1 1 A 37 37 THR HA H 37 4.511 5.040 -0.529 1
1 450 . 1 1 1 A 38 38 SER N N 38 115.811 116.746 -0.935 1
1 451 . 1 1 1 A 38 38 SER CA C 38 57.664 56.364 1.300 1
1 452 . 1 1 1 A 38 38 SER CB C 38 70.510 66.799 3.711 1
1 453 . 1 1 1 A 38 38 SER C C 38 170.198 172.712 -2.514 1
1 454 . 1 1 1 A 38 38 SER H H 38 7.257 9.155 -1.898 1
1 455 . 1 1 1 A 38 38 SER HA H 38 4.707 5.417 -0.710 1
1 458 . 1 1 1 A 39 39 ASP N N 39 121.288 122.536 -1.248 1
1 459 . 1 1 1 A 39 39 ASP CA C 39 51.058 51.625 -0.567 1
1 460 . 1 1 1 A 39 39 ASP CB C 39 42.210 41.807 0.403 1
1 461 . 1 1 1 A 39 39 ASP C C 39 172.500 173.572 -1.072 1
1 462 . 1 1 1 A 39 39 ASP H H 39 8.698 8.788 -0.090 1
1 463 . 1 1 1 A 39 39 ASP HA H 39 5.940 5.770 0.170 1
1 466 . 1 1 1 A 40 40 PRO CA C 40 62.440 63.343 -0.903 1
1 467 . 1 1 1 A 40 40 PRO CB C 40 34.370 32.605 1.765 1
1 470 . 1 1 1 A 40 40 PRO C C 40 176.317 175.104 1.213 1
1 471 . 1 1 1 A 40 40 PRO HA H 40 5.826 4.580 1.246 1
1 478 . 1 1 1 A 41 41 TYR N N 41 113.769 124.369 -10.600 1
1 479 . 1 1 1 A 41 41 TYR CA C 41 56.150 58.200 -2.050 1
1 480 . 1 1 1 A 41 41 TYR CB C 41 40.246 41.879 -1.633 1
1 481 . 1 1 1 A 41 41 TYR C C 41 171.425 173.776 -2.351 1
1 482 . 1 1 1 A 41 41 TYR H H 41 8.703 8.892 -0.189 1
1 483 . 1 1 1 A 41 41 TYR HA H 41 4.795 4.819 -0.024 1
1 487 . 1 1 1 A 42 42 VAL N N 42 119.919 127.543 -7.624 1
1 488 . 1 1 1 A 42 42 VAL CA C 42 60.064 61.223 -1.159 1
1 489 . 1 1 1 A 42 42 VAL CB C 42 33.816 32.811 1.005 1
1 492 . 1 1 1 A 42 42 VAL C C 42 174.456 175.233 -0.777 1
1 493 . 1 1 1 A 42 42 VAL HA H 42 5.020 4.876 0.144 1
1 501 . 1 1 1 A 43 43 LYS N N 43 125.776 127.571 -1.795 1
1 502 . 1 1 1 A 43 43 LYS CA C 43 54.601 56.404 -1.803 1
1 503 . 1 1 1 A 43 43 LYS CB C 43 36.096 33.374 2.722 1
1 507 . 1 1 1 A 43 43 LYS C C 43 174.518 176.253 -1.735 1
1 508 . 1 1 1 A 43 43 LYS H H 43 9.415 9.741 -0.326 1
1 509 . 1 1 1 A 43 43 LYS HA H 43 5.374 4.806 0.568 1
1 518 . 1 1 1 A 44 44 VAL N N 44 121.484 118.313 3.171 1
1 519 . 1 1 1 A 44 44 VAL CA C 44 59.365 60.169 -0.804 1
1 520 . 1 1 1 A 44 44 VAL CB C 44 34.818 33.336 1.482 1
1 523 . 1 1 1 A 44 44 VAL C C 44 173.928 174.574 -0.646 1
1 524 . 1 1 1 A 44 44 VAL H H 44 8.845 8.585 0.260 1
1 525 . 1 1 1 A 44 44 VAL HA H 44 5.326 4.564 0.762 1
1 533 . 1 1 1 A 45 45 PHE N N 45 120.600 120.414 0.186 1
1 534 . 1 1 1 A 45 45 PHE CA C 45 55.886 56.220 -0.334 1
1 535 . 1 1 1 A 45 45 PHE CB C 45 39.882 41.071 -1.189 1
1 536 . 1 1 1 A 45 45 PHE C C 45 171.102 172.590 -1.488 1
1 537 . 1 1 1 A 45 45 PHE H H 45 8.254 8.050 0.204 1
1 538 . 1 1 1 A 45 45 PHE HA H 45 4.971 5.320 -0.349 1
1 541 . 1 1 1 A 46 46 LEU N N 46 121.444 120.239 1.205 1
1 542 . 1 1 1 A 46 46 LEU CA C 46 52.376 53.543 -1.167 1
1 543 . 1 1 1 A 46 46 LEU CB C 46 43.229 45.075 -1.846 1
1 547 . 1 1 1 A 46 46 LEU C C 46 176.176 176.768 -0.592 1
1 548 . 1 1 1 A 46 46 LEU H H 46 9.137 9.069 0.068 1
1 549 . 1 1 1 A 46 46 LEU HA H 46 4.189 5.052 -0.863 1
1 559 . 1 1 1 A 47 47 LEU N N 47 123.900 121.463 2.437 1
1 560 . 1 1 1 A 47 47 LEU CA C 47 52.926 53.472 -0.546 1
1 561 . 1 1 1 A 47 47 LEU CB C 47 41.010 42.511 -1.501 1
1 565 . 1 1 1 A 47 47 LEU C C 47 175.800 177.627 -1.827 1
1 566 . 1 1 1 A 47 47 LEU H H 47 8.945 8.575 0.370 1
1 567 . 1 1 1 A 47 47 LEU HA H 47 4.185 4.618 -0.433 1
1 577 . 1 1 1 A 48 48 PRO CA C 48 62.992 64.963 -1.971 1
1 578 . 1 1 1 A 48 48 PRO CB C 48 24.080 31.879 -7.799 1
1 581 . 1 1 1 A 48 48 PRO C C 48 176.188 177.986 -1.798 1
1 582 . 1 1 1 A 48 48 PRO HA H 48 4.474 4.169 0.305 1
1 588 . 1 1 1 A 49 49 ASP N N 49 113.800 116.734 -2.934 1
1 589 . 1 1 1 A 49 49 ASP CA C 49 55.199 55.607 -0.408 1
1 590 . 1 1 1 A 49 49 ASP CB C 49 40.158 40.860 -0.702 1
1 591 . 1 1 1 A 49 49 ASP C C 49 175.304 176.295 -0.991 1
1 592 . 1 1 1 A 49 49 ASP H H 49 8.467 8.486 -0.019 1
1 593 . 1 1 1 A 49 49 ASP HA H 49 4.576 4.470 0.106 1
1 596 . 1 1 1 A 50 50 LYS N N 50 120.081 117.058 3.023 1
1 597 . 1 1 1 A 50 50 LYS CA C 50 56.803 56.758 0.045 1
1 598 . 1 1 1 A 50 50 LYS CB C 50 32.059 30.909 1.150 1
1 602 . 1 1 1 A 50 50 LYS H H 50 8.329 7.861 0.468 1
1 603 . 1 1 1 A 50 50 LYS HA H 50 3.949 4.313 -0.364 1
1 604 . 1 1 1 A 50 50 LYS C C 50 175.754 176.343 -0.589 1
1 613 . 1 1 1 A 51 51 LYS N N 51 117.896 120.862 -2.966 1
1 614 . 1 1 1 A 51 51 LYS CA C 51 57.360 56.316 1.044 1
1 615 . 1 1 1 A 51 51 LYS CB C 51 32.230 31.453 0.777 1
1 619 . 1 1 1 A 51 51 LYS H H 51 8.099 8.161 -0.062 1
1 620 . 1 1 1 A 51 51 LYS HA H 51 3.950 5.145 -1.195 1
1 621 . 1 1 1 A 51 51 LYS C C 51 176.619 175.233 1.386 1
1 630 . 1 1 1 A 52 52 LYS N N 52 120.200 121.670 -1.470 1
1 631 . 1 1 1 A 52 52 LYS CA C 52 54.688 54.990 -0.302 1
1 632 . 1 1 1 A 52 52 LYS CB C 52 31.829 33.085 -1.256 1
1 636 . 1 1 1 A 52 52 LYS H H 52 7.447 7.849 -0.402 1
1 637 . 1 1 1 A 52 52 LYS HA H 52 4.259 4.783 -0.524 1
1 638 . 1 1 1 A 52 52 LYS C C 52 173.420 175.220 -1.800 1
1 647 . 1 1 1 A 53 53 LYS N N 53 123.119 123.699 -0.580 1
1 648 . 1 1 1 A 53 53 LYS CA C 53 53.698 56.155 -2.457 1
1 649 . 1 1 1 A 53 53 LYS CB C 53 41.592 32.147 9.445 1
1 653 . 1 1 1 A 53 53 LYS H H 53 7.810 8.259 -0.449 1
1 654 . 1 1 1 A 53 53 LYS HA H 53 5.004 4.613 0.391 1
1 655 . 1 1 1 A 53 53 LYS C C 53 174.468 175.539 -1.071 1
1 664 . 1 1 1 A 54 54 PHE N N 54 120.200 125.530 -5.330 1
1 665 . 1 1 1 A 54 54 PHE CA C 54 56.583 57.847 -1.264 1
1 666 . 1 1 1 A 54 54 PHE CB C 54 42.110 41.114 0.996 1
1 667 . 1 1 1 A 54 54 PHE C C 54 173.801 174.330 -0.529 1
1 668 . 1 1 1 A 54 54 PHE H H 54 8.490 9.013 -0.523 1
1 669 . 1 1 1 A 54 54 PHE HA H 54 4.680 5.076 -0.396 1
1 672 . 1 1 1 A 55 55 GLU N N 55 117.600 119.079 -1.479 1
1 673 . 1 1 1 A 55 55 GLU CA C 55 53.537 54.473 -0.936 1
1 674 . 1 1 1 A 55 55 GLU CB C 55 33.241 32.929 0.312 1
1 676 . 1 1 1 A 55 55 GLU C C 55 176.694 174.604 2.090 1
1 677 . 1 1 1 A 55 55 GLU H H 55 8.309 7.968 0.341 1
1 678 . 1 1 1 A 55 55 GLU HA H 55 5.690 4.633 1.057 1
1 683 . 1 1 1 A 56 56 THR N N 56 111.700 118.210 -6.510 1
1 684 . 1 1 1 A 56 56 THR CA C 56 60.989 62.355 -1.366 1
1 685 . 1 1 1 A 56 56 THR CB C 56 71.860 69.062 2.798 1
1 687 . 1 1 1 A 56 56 THR C C 56 174.385 173.905 0.480 1
1 688 . 1 1 1 A 56 56 THR H H 56 8.775 7.744 1.031 1
1 689 . 1 1 1 A 56 56 THR HA H 56 4.838 4.209 0.629 1
1 692 . 1 1 1 A 57 57 LYS N N 57 119.500 124.315 -4.815 1
1 693 . 1 1 1 A 57 57 LYS CA C 57 56.775 56.035 0.740 1
1 694 . 1 1 1 A 57 57 LYS CB C 57 32.743 32.947 -0.204 1
1 698 . 1 1 1 A 57 57 LYS H H 57 9.787 7.444 2.343 1
1 699 . 1 1 1 A 57 57 LYS HA H 57 4.151 4.125 0.026 1
1 700 . 1 1 1 A 57 57 LYS C C 57 177.417 175.769 1.648 1
1 709 . 1 1 1 A 58 58 VAL N N 58 123.100 121.674 1.426 1
1 710 . 1 1 1 A 58 58 VAL CA C 58 61.870 61.676 0.194 1
1 711 . 1 1 1 A 58 58 VAL CB C 58 32.081 32.590 -0.509 1
1 714 . 1 1 1 A 58 58 VAL C C 58 176.850 175.337 1.513 1
1 715 . 1 1 1 A 58 58 VAL H H 58 8.120 8.345 -0.225 1
1 716 . 1 1 1 A 58 58 VAL HA H 58 4.284 4.435 -0.151 1
1 724 . 1 1 1 A 59 59 HIS N N 59 128.800 124.858 3.942 1
1 725 . 1 1 1 A 59 59 HIS CA C 59 54.311 54.675 -0.364 1
1 726 . 1 1 1 A 59 59 HIS CB C 59 30.426 29.638 0.788 1
1 727 . 1 1 1 A 59 59 HIS C C 59 172.101 174.565 -2.464 1
1 728 . 1 1 1 A 59 59 HIS H H 59 8.550 8.110 0.440 1
1 729 . 1 1 1 A 59 59 HIS HA H 59 4.457 4.948 -0.491 1
1 732 . 1 1 1 A 60 60 ARG N N 60 118.700 122.968 -4.268 1
1 733 . 1 1 1 A 60 60 ARG CA C 60 55.702 56.445 -0.743 1
1 734 . 1 1 1 A 60 60 ARG CB C 60 30.713 30.409 0.304 1
1 737 . 1 1 1 A 60 60 ARG C C 60 176.252 176.461 -0.209 1
1 738 . 1 1 1 A 60 60 ARG H H 60 8.211 8.568 -0.357 1
1 739 . 1 1 1 A 60 60 ARG HA H 60 4.389 4.829 -0.440 1
1 746 . 1 1 1 A 61 61 LYS N N 61 122.500 120.136 2.364 1
1 747 . 1 1 1 A 61 61 LYS CA C 61 55.977 57.118 -1.141 1
1 748 . 1 1 1 A 61 61 LYS CB C 61 29.711 29.495 0.216 1
1 752 . 1 1 1 A 61 61 LYS H H 61 9.608 9.015 0.593 1
1 753 . 1 1 1 A 61 61 LYS HA H 61 3.946 4.090 -0.144 1
1 754 . 1 1 1 A 61 61 LYS C C 61 175.083 175.050 0.033 1
1 763 . 1 1 1 A 62 62 THR N N 62 113.400 112.238 1.162 1
1 764 . 1 1 1 A 62 62 THR CA C 62 59.755 61.385 -1.630 1
1 765 . 1 1 1 A 62 62 THR CB C 62 63.417 71.437 -8.020 1
1 767 . 1 1 1 A 62 62 THR C C 62 170.120 174.101 -3.981 1
1 768 . 1 1 1 A 62 62 THR H H 62 8.470 7.916 0.554 1
1 769 . 1 1 1 A 62 62 THR HA H 62 4.703 4.640 0.063 1
1 772 . 1 1 1 A 63 63 LEU N N 63 123.100 130.525 -7.425 1
1 773 . 1 1 1 A 63 63 LEU CA C 63 52.833 54.662 -1.829 1
1 774 . 1 1 1 A 63 63 LEU CB C 63 40.311 42.892 -2.581 1
1 778 . 1 1 1 A 63 63 LEU C C 63 175.135 176.356 -1.221 1
1 779 . 1 1 1 A 63 63 LEU H H 63 8.257 8.807 -0.550 1
1 780 . 1 1 1 A 63 63 LEU HA H 63 4.483 4.591 -0.108 1
1 790 . 1 1 1 A 64 64 ASN N N 64 114.829 119.059 -4.230 1
1 792 . 1 1 1 A 64 64 ASN CA C 64 50.610 49.991 0.619 1
1 793 . 1 1 1 A 64 64 ASN CB C 64 40.550 38.928 1.622 1
1 794 . 1 1 1 A 64 64 ASN C C 64 171.500 173.305 -1.805 1
1 795 . 1 1 1 A 64 64 ASN H H 64 8.306 7.880 0.426 1
1 796 . 1 1 1 A 64 64 ASN HA H 64 5.450 5.323 0.127 1
1 801 . 1 1 1 A 65 65 PRO CA C 65 61.914 62.059 -0.145 1
1 802 . 1 1 1 A 65 65 PRO CB C 65 30.780 32.462 -1.682 1
1 805 . 1 1 1 A 65 65 PRO C C 65 173.852 176.068 -2.216 1
1 806 . 1 1 1 A 65 65 PRO HA H 65 3.970 4.857 -0.887 1
1 813 . 1 1 1 A 66 66 VAL N N 66 121.000 116.485 4.515 1
1 814 . 1 1 1 A 66 66 VAL CA C 66 61.782 60.299 1.483 1
1 815 . 1 1 1 A 66 66 VAL CB C 66 32.721 33.484 -0.763 1
1 818 . 1 1 1 A 66 66 VAL C C 66 175.152 175.791 -0.639 1
1 819 . 1 1 1 A 66 66 VAL H H 66 7.926 8.140 -0.214 1
1 820 . 1 1 1 A 66 66 VAL HA H 66 3.807 4.848 -1.041 1
1 828 . 1 1 1 A 67 67 PHE N N 67 123.400 127.336 -3.936 1
1 829 . 1 1 1 A 67 67 PHE CA C 67 59.262 60.461 -1.199 1
1 830 . 1 1 1 A 67 67 PHE CB C 67 39.849 40.283 -0.434 1
1 831 . 1 1 1 A 67 67 PHE C C 67 175.748 175.498 0.250 1
1 832 . 1 1 1 A 67 67 PHE H H 67 8.150 8.932 -0.782 1
1 833 . 1 1 1 A 67 67 PHE HA H 67 4.378 4.429 -0.051 1
1 836 . 1 1 1 A 68 68 ASN N N 68 117.500 116.994 0.506 1
1 837 . 1 1 1 A 68 68 ASN CA C 68 53.983 53.992 -0.009 1
1 838 . 1 1 1 A 68 68 ASN CB C 68 37.351 36.943 0.408 1
1 839 . 1 1 1 A 68 68 ASN C C 68 173.314 175.077 -1.763 1
1 840 . 1 1 1 A 68 68 ASN H H 68 8.920 9.116 -0.196 1
1 841 . 1 1 1 A 68 68 ASN HA H 68 4.350 5.355 -1.005 1
1 847 . 1 1 1 A 69 69 GLU N N 69 116.000 122.507 -6.507 1
1 848 . 1 1 1 A 69 69 GLU CA C 69 55.742 55.313 0.429 1
1 849 . 1 1 1 A 69 69 GLU CB C 69 34.663 32.572 2.091 1
1 851 . 1 1 1 A 69 69 GLU C C 69 174.165 175.604 -1.439 1
1 852 . 1 1 1 A 69 69 GLU H H 69 7.931 8.154 -0.223 1
1 853 . 1 1 1 A 69 69 GLU HA H 69 4.638 5.454 -0.816 1
1 858 . 1 1 1 A 70 70 GLN N N 70 121.500 126.402 -4.902 1
1 860 . 1 1 1 A 70 70 GLN CA C 70 53.807 55.920 -2.113 1
1 861 . 1 1 1 A 70 70 GLN CB C 70 31.750 29.444 2.306 1
1 863 . 1 1 1 A 70 70 GLN C C 70 173.068 174.485 -1.417 1
1 864 . 1 1 1 A 70 70 GLN H H 70 8.174 9.133 -0.959 1
1 865 . 1 1 1 A 70 70 GLN HA H 70 4.985 5.021 -0.036 1
1 872 . 1 1 1 A 71 71 PHE N N 71 124.300 126.218 -1.918 1
1 873 . 1 1 1 A 71 71 PHE CA C 71 55.249 56.505 -1.256 1
1 874 . 1 1 1 A 71 71 PHE CB C 71 42.133 39.992 2.141 1
1 875 . 1 1 1 A 71 71 PHE C C 71 173.570 174.033 -0.463 1
1 876 . 1 1 1 A 71 71 PHE H H 71 9.040 9.798 -0.758 1
1 877 . 1 1 1 A 71 71 PHE HA H 71 4.528 4.729 -0.201 1
1 880 . 1 1 1 A 72 72 THR N N 72 114.000 123.236 -9.236 1
1 881 . 1 1 1 A 72 72 THR CA C 72 59.491 63.217 -3.726 1
1 882 . 1 1 1 A 72 72 THR CB C 72 70.623 68.545 2.078 1
1 884 . 1 1 1 A 72 72 THR C C 72 172.834 173.004 -0.170 1
1 885 . 1 1 1 A 72 72 THR H H 72 7.763 8.463 -0.700 1
1 886 . 1 1 1 A 72 72 THR HA H 72 5.212 4.269 0.943 1
1 889 . 1 1 1 A 73 73 PHE N N 73 120.900 127.294 -6.394 1
1 890 . 1 1 1 A 73 73 PHE CA C 73 56.071 55.633 0.438 1
1 891 . 1 1 1 A 73 73 PHE CB C 73 41.570 40.040 1.530 1
1 892 . 1 1 1 A 73 73 PHE C C 73 174.890 174.209 0.681 1
1 893 . 1 1 1 A 73 73 PHE H H 73 8.983 8.307 0.676 1
1 894 . 1 1 1 A 73 73 PHE HA H 73 4.750 4.802 -0.052 1
1 897 . 1 1 1 A 74 74 LYS N N 74 127.500 128.016 -0.516 1
1 898 . 1 1 1 A 74 74 LYS CA C 74 56.186 55.882 0.304 1
1 899 . 1 1 1 A 74 74 LYS CB C 74 30.577 30.554 0.023 1
1 903 . 1 1 1 A 74 74 LYS C C 74 174.575 174.229 0.346 1
1 904 . 1 1 1 A 74 74 LYS H H 74 9.063 8.619 0.444 1
1 905 . 1 1 1 A 74 74 LYS HA H 74 4.690 4.395 0.295 1
1 914 . 1 1 1 A 75 75 VAL N N 75 126.600 123.670 2.930 1
1 915 . 1 1 1 A 75 75 VAL CA C 75 57.737 59.038 -1.301 1
1 916 . 1 1 1 A 75 75 VAL CB C 75 35.160 35.316 -0.156 1
1 919 . 1 1 1 A 75 75 VAL C C 75 171.500 173.645 -2.145 1
1 920 . 1 1 1 A 75 75 VAL H H 75 7.546 7.940 -0.394 1
1 921 . 1 1 1 A 75 75 VAL HA H 75 4.650 4.513 0.137 1
1 929 . 1 1 1 A 76 76 PRO CA C 76 62.476 62.567 -0.091 1
1 930 . 1 1 1 A 76 76 PRO CB C 76 32.143 32.891 -0.748 1
1 933 . 1 1 1 A 76 76 PRO C C 76 176.991 177.278 -0.287 1
1 934 . 1 1 1 A 76 76 PRO HA H 76 4.329 4.533 -0.204 1
1 941 . 1 1 1 A 77 77 TYR N N 77 128.500 124.940 3.560 1
1 942 . 1 1 1 A 77 77 TYR CA C 77 61.772 62.255 -0.483 1
1 943 . 1 1 1 A 77 77 TYR CB C 77 37.898 38.958 -1.060 1
1 944 . 1 1 1 A 77 77 TYR C C 77 177.516 177.161 0.355 1
1 945 . 1 1 1 A 77 77 TYR H H 77 8.626 9.254 -0.628 1
1 946 . 1 1 1 A 77 77 TYR HA H 77 3.403 4.100 -0.697 1
1 950 . 1 1 1 A 78 78 SER N N 78 110.600 116.103 -5.503 1
1 951 . 1 1 1 A 78 78 SER H H 78 8.509 8.506 0.003 1
1 952 . 1 1 1 A 78 78 SER CA C 78 60.064 62.250 -2.186 1
1 953 . 1 1 1 A 78 78 SER CB C 78 62.022 63.011 -0.989 1
1 954 . 1 1 1 A 78 78 SER C C 78 175.292 175.666 -0.374 1
1 955 . 1 1 1 A 78 78 SER HA H 78 3.940 4.298 -0.358 1
1 958 . 1 1 1 A 79 79 GLU N N 79 119.000 120.854 -1.854 1
1 959 . 1 1 1 A 79 79 GLU CA C 79 55.273 56.046 -0.773 1
1 960 . 1 1 1 A 79 79 GLU CB C 79 30.302 30.471 -0.169 1
1 962 . 1 1 1 A 79 79 GLU C C 79 177.218 178.414 -1.196 1
1 963 . 1 1 1 A 79 79 GLU H H 79 7.411 7.721 -0.310 1
1 964 . 1 1 1 A 79 79 GLU HA H 79 4.280 4.348 -0.068 1
1 969 . 1 1 1 A 80 80 LEU N N 80 121.600 122.756 -1.156 1
1 970 . 1 1 1 A 80 80 LEU CA C 80 57.376 57.900 -0.524 1
1 971 . 1 1 1 A 80 80 LEU CB C 80 41.916 41.755 0.161 1
1 975 . 1 1 1 A 80 80 LEU C C 80 177.098 178.193 -1.095 1
1 976 . 1 1 1 A 80 80 LEU H H 80 7.311 7.703 -0.392 1
1 977 . 1 1 1 A 80 80 LEU HA H 80 3.643 4.025 -0.382 1
1 987 . 1 1 1 A 81 81 GLY N N 81 102.900 105.887 -2.987 1
1 988 . 1 1 1 A 81 81 GLY CA C 81 46.638 47.204 -0.566 1
1 989 . 1 1 1 A 81 81 GLY C C 81 174.240 176.442 -2.202 1
1 990 . 1 1 1 A 81 81 GLY H H 81 7.860 8.193 -0.333 1
1 991 . 1 1 1 A 81 81 GLY HA3 H 81 3.744 3.688 0.056 1
1 992 . 1 1 1 A 81 81 GLY HA2 H 81 3.434 3.668 -0.234 1
1 993 . 1 1 1 A 82 82 GLY N N 82 105.900 108.319 -2.419 1
1 994 . 1 1 1 A 82 82 GLY CA C 82 44.289 46.146 -1.857 1
1 995 . 1 1 1 A 82 82 GLY C C 82 174.591 174.489 0.102 1
1 996 . 1 1 1 A 82 82 GLY H H 82 7.396 8.078 -0.682 1
1 997 . 1 1 1 A 82 82 GLY HA3 H 82 4.267 3.991 0.276 1
1 998 . 1 1 1 A 82 82 GLY HA2 H 82 3.760 3.990 -0.230 1
1 999 . 1 1 1 A 83 83 LYS N N 83 119.000 119.795 -0.795 1
1 1000 . 1 1 1 A 83 83 LYS CA C 83 53.818 55.364 -1.546 1
1 1001 . 1 1 1 A 83 83 LYS CB C 83 33.814 33.735 0.079 1
1 1005 . 1 1 1 A 83 83 LYS H H 83 7.888 8.501 -0.613 1
1 1006 . 1 1 1 A 83 83 LYS HA H 83 4.366 5.223 -0.857 1
1 1007 . 1 1 1 A 83 83 LYS C C 83 176.518 175.933 0.585 1
1 1015 . 1 1 1 A 84 84 THR N N 84 118.500 117.187 1.313 1
1 1016 . 1 1 1 A 84 84 THR CA C 84 61.914 62.479 -0.565 1
1 1017 . 1 1 1 A 84 84 THR CB C 84 71.340 70.272 1.068 1
1 1019 . 1 1 1 A 84 84 THR C C 84 171.750 173.739 -1.989 1
1 1020 . 1 1 1 A 84 84 THR H H 84 8.248 8.617 -0.369 1
1 1021 . 1 1 1 A 84 84 THR HA H 84 4.638 4.838 -0.200 1
1 1024 . 1 1 1 A 85 85 LEU N N 85 130.500 128.540 1.960 1
1 1025 . 1 1 1 A 85 85 LEU CA C 85 53.982 53.944 0.038 1
1 1026 . 1 1 1 A 85 85 LEU CB C 85 43.826 41.402 2.424 1
1 1030 . 1 1 1 A 85 85 LEU C C 85 173.417 176.297 -2.880 1
1 1031 . 1 1 1 A 85 85 LEU H H 85 8.430 9.198 -0.768 1
1 1032 . 1 1 1 A 85 85 LEU HA H 85 4.417 5.029 -0.612 1
1 1042 . 1 1 1 A 86 86 VAL N N 86 127.723 120.715 7.008 1
1 1043 . 1 1 1 A 86 86 VAL CA C 86 61.206 60.078 1.128 1
1 1044 . 1 1 1 A 86 86 VAL CB C 86 31.856 33.813 -1.957 1
1 1047 . 1 1 1 A 86 86 VAL C C 86 173.599 174.270 -0.671 1
1 1048 . 1 1 1 A 86 86 VAL H H 86 8.771 8.597 0.174 1
1 1049 . 1 1 1 A 86 86 VAL HA H 86 4.151 4.995 -0.844 1
1 1057 . 1 1 1 A 87 87 MET N N 87 122.600 124.320 -1.720 1
1 1058 . 1 1 1 A 87 87 MET CA C 87 53.654 54.147 -0.493 1
1 1059 . 1 1 1 A 87 87 MET CB C 87 31.288 36.075 -4.787 1
1 1061 . 1 1 1 A 87 87 MET C C 87 172.749 174.645 -1.896 1
1 1062 . 1 1 1 A 87 87 MET H H 87 7.503 8.877 -1.374 1
1 1063 . 1 1 1 A 87 87 MET HA H 87 4.706 5.149 -0.443 1
1 1068 . 1 1 1 A 88 88 ALA N N 88 124.200 126.890 -2.690 1
1 1069 . 1 1 1 A 88 88 ALA CA C 88 50.017 50.919 -0.902 1
1 1070 . 1 1 1 A 88 88 ALA CB C 88 23.107 21.459 1.648 1
1 1071 . 1 1 1 A 88 88 ALA C C 88 174.558 175.834 -1.276 1
1 1072 . 1 1 1 A 88 88 ALA H H 88 8.755 9.037 -0.282 1
1 1073 . 1 1 1 A 88 88 ALA HA H 88 4.948 5.201 -0.253 1
1 1077 . 1 1 1 A 89 89 VAL N N 89 122.900 123.502 -0.602 1
1 1078 . 1 1 1 A 89 89 VAL CA C 89 60.881 62.974 -2.093 1
1 1079 . 1 1 1 A 89 89 VAL CB C 89 31.541 31.475 0.066 1
1 1082 . 1 1 1 A 89 89 VAL C C 89 173.707 174.915 -1.208 1
1 1083 . 1 1 1 A 89 89 VAL H H 89 8.813 8.864 -0.051 1
1 1084 . 1 1 1 A 89 89 VAL HA H 89 4.652 4.469 0.183 1
1 1092 . 1 1 1 A 90 90 TYR N N 90 128.400 128.582 -0.182 1
1 1093 . 1 1 1 A 90 90 TYR CA C 90 56.230 56.516 -0.286 1
1 1094 . 1 1 1 A 90 90 TYR CB C 90 43.211 42.257 0.954 1
1 1095 . 1 1 1 A 90 90 TYR C C 90 173.024 173.440 -0.416 1
1 1096 . 1 1 1 A 90 90 TYR H H 90 9.067 9.682 -0.615 1
1 1097 . 1 1 1 A 90 90 TYR HA H 90 4.766 5.397 -0.631 1
1 1101 . 1 1 1 A 91 91 ASP N N 91 116.300 129.198 -12.898 1
1 1102 . 1 1 1 A 91 91 ASP CA C 91 51.800 52.726 -0.926 1
1 1103 . 1 1 1 A 91 91 ASP CB C 91 42.265 42.144 0.121 1
1 1104 . 1 1 1 A 91 91 ASP C C 91 175.823 174.634 1.189 1
1 1105 . 1 1 1 A 91 91 ASP H H 91 8.700 8.281 0.419 1
1 1106 . 1 1 1 A 91 91 ASP HA H 91 5.098 4.834 0.264 1
1 1109 . 1 1 1 A 92 92 PHE N N 92 128.100 127.953 0.147 1
1 1110 . 1 1 1 A 92 92 PHE CA C 92 58.830 56.292 2.538 1
1 1111 . 1 1 1 A 92 92 PHE CB C 92 31.850 38.996 -7.146 1
1 1112 . 1 1 1 A 92 92 PHE C C 92 173.437 175.380 -1.943 1
1 1113 . 1 1 1 A 92 92 PHE H H 92 9.540 8.593 0.947 1
1 1114 . 1 1 1 A 92 92 PHE HA H 92 4.480 4.535 -0.055 1
1 1117 . 1 1 1 A 93 93 ASP N N 93 122.100 124.250 -2.150 1
1 1118 . 1 1 1 A 93 93 ASP CA C 93 53.701 52.883 0.818 1
1 1119 . 1 1 1 A 93 93 ASP CB C 93 41.736 40.160 1.576 1
1 1120 . 1 1 1 A 93 93 ASP C C 93 175.548 175.924 -0.376 1
1 1121 . 1 1 1 A 93 93 ASP H H 93 7.812 8.461 -0.649 1
1 1122 . 1 1 1 A 93 93 ASP HA H 93 4.480 4.658 -0.178 1
1 1125 . 1 1 1 A 94 94 ARG N N 94 121.500 113.790 7.710 1
1 1126 . 1 1 1 A 94 94 ARG CA C 94 56.142 57.073 -0.931 1
1 1127 . 1 1 1 A 94 94 ARG CB C 94 30.173 27.658 2.515 1
1 1129 . 1 1 1 A 94 94 ARG C C 94 175.795 175.212 0.583 1
1 1130 . 1 1 1 A 94 94 ARG H H 94 8.264 7.474 0.790 1
1 1131 . 1 1 1 A 94 94 ARG HA H 94 4.000 3.428 0.572 1
1 1138 . 1 1 1 A 95 95 PHE N N 95 118.600 118.184 0.416 1
1 1139 . 1 1 1 A 95 95 PHE CA C 95 59.850 59.052 0.798 1
1 1140 . 1 1 1 A 95 95 PHE CB C 95 38.955 40.837 -1.882 1
1 1141 . 1 1 1 A 95 95 PHE C C 95 172.969 174.741 -1.772 1
1 1142 . 1 1 1 A 95 95 PHE H H 95 6.889 7.347 -0.458 1
1 1143 . 1 1 1 A 95 95 PHE HA H 95 4.373 4.785 -0.412 1
1 1146 . 1 1 1 A 96 96 SER N N 96 114.200 111.314 2.886 1
1 1147 . 1 1 1 A 96 96 SER H H 96 8.027 7.529 0.498 1
1 1148 . 1 1 1 A 96 96 SER CA C 96 57.596 57.922 -0.326 1
1 1149 . 1 1 1 A 96 96 SER CB C 96 63.494 64.750 -1.256 1
1 1150 . 1 1 1 A 96 96 SER C C 96 174.149 174.270 -0.121 1
1 1151 . 1 1 1 A 96 96 SER HA H 96 4.220 4.486 -0.266 1
1 1154 . 1 1 1 A 97 97 LYS N N 97 121.600 118.042 3.558 1
1 1155 . 1 1 1 A 97 97 LYS CA C 97 58.206 56.283 1.923 1
1 1156 . 1 1 1 A 97 97 LYS CB C 97 31.860 32.409 -0.549 1
1 1159 . 1 1 1 A 97 97 LYS H H 97 8.264 8.235 0.029 1
1 1160 . 1 1 1 A 97 97 LYS HA H 97 4.202 4.060 0.142 1
1 1161 . 1 1 1 A 97 97 LYS C C 97 175.599 175.731 -0.132 1
1 1170 . 1 1 1 A 98 98 HIS N N 98 119.000 121.127 -2.127 1
1 1171 . 1 1 1 A 98 98 HIS CA C 98 54.159 55.826 -1.667 1
1 1172 . 1 1 1 A 98 98 HIS CB C 98 30.040 29.969 0.071 1
1 1173 . 1 1 1 A 98 98 HIS C C 98 174.050 174.805 -0.755 1
1 1174 . 1 1 1 A 98 98 HIS H H 98 8.350 8.151 0.199 1
1 1175 . 1 1 1 A 98 98 HIS HA H 98 4.784 5.779 -0.995 1
1 1178 . 1 1 1 A 99 99 ASP N N 99 122.600 125.821 -3.221 1
1 1179 . 1 1 1 A 99 99 ASP CA C 99 53.806 54.170 -0.364 1
1 1180 . 1 1 1 A 99 99 ASP CB C 99 41.074 41.614 -0.540 1
1 1181 . 1 1 1 A 99 99 ASP C C 99 174.346 175.710 -1.364 1
1 1182 . 1 1 1 A 99 99 ASP H H 99 8.812 8.711 0.101 1
1 1183 . 1 1 1 A 99 99 ASP HA H 99 4.781 4.886 -0.105 1
1 1186 . 1 1 1 A 100 100 ILE N N 100 122.400 125.109 -2.709 1
1 1187 . 1 1 1 A 100 100 ILE CA C 100 60.989 62.473 -1.484 1
1 1188 . 1 1 1 A 100 100 ILE CB C 100 38.823 38.748 0.075 1
1 1192 . 1 1 1 A 100 100 ILE C C 100 174.431 175.665 -1.234 1
1 1193 . 1 1 1 A 100 100 ILE H H 100 8.075 8.547 -0.472 1
1 1194 . 1 1 1 A 100 100 ILE HA H 100 3.405 4.377 -0.972 1
1 1204 . 1 1 1 A 101 101 ILE N N 101 127.400 129.976 -2.576 1
1 1205 . 1 1 1 A 101 101 ILE CA C 101 63.380 63.577 -0.197 1
1 1206 . 1 1 1 A 101 101 ILE CB C 101 38.058 38.600 -0.542 1
1 1210 . 1 1 1 A 101 101 ILE C C 101 175.859 176.655 -0.796 1
1 1211 . 1 1 1 A 101 101 ILE H H 101 9.219 9.362 -0.143 1
1 1212 . 1 1 1 A 101 101 ILE HA H 101 3.869 4.063 -0.194 1
1 1219 . 1 1 1 A 102 102 GLY N N 102 101.500 102.926 -1.426 1
1 1220 . 1 1 1 A 102 102 GLY CA C 102 45.259 45.917 -0.658 1
1 1221 . 1 1 1 A 102 102 GLY C C 102 169.614 171.609 -1.995 1
1 1222 . 1 1 1 A 102 102 GLY H H 102 7.241 7.587 -0.346 1
1 1223 . 1 1 1 A 102 102 GLY HA3 H 102 4.024 4.088 -0.064 1
1 1224 . 1 1 1 A 102 102 GLY HA2 H 102 3.811 4.085 -0.274 1
1 1225 . 1 1 1 A 103 103 GLU N N 103 117.100 119.471 -2.371 1
1 1226 . 1 1 1 A 103 103 GLU CA C 103 54.229 55.879 -1.650 1
1 1227 . 1 1 1 A 103 103 GLU CB C 103 34.012 33.651 0.361 1
1 1229 . 1 1 1 A 103 103 GLU C C 103 173.993 174.253 -0.260 1
1 1230 . 1 1 1 A 103 103 GLU H H 103 9.499 8.735 0.764 1
1 1231 . 1 1 1 A 103 103 GLU HA H 103 5.513 5.348 0.165 1
1 1236 . 1 1 1 A 104 104 PHE N N 104 115.900 125.184 -9.284 1
1 1237 . 1 1 1 A 104 104 PHE CA C 104 58.037 57.283 0.754 1
1 1238 . 1 1 1 A 104 104 PHE CB C 104 41.030 43.111 -2.081 1
1 1239 . 1 1 1 A 104 104 PHE C C 104 171.749 173.041 -1.292 1
1 1240 . 1 1 1 A 104 104 PHE H H 104 8.525 9.190 -0.665 1
1 1241 . 1 1 1 A 104 104 PHE HA H 104 4.731 5.199 -0.468 1
1 1244 . 1 1 1 A 105 105 LYS N N 105 118.900 125.828 -6.928 1
1 1245 . 1 1 1 A 105 105 LYS CA C 105 53.771 54.958 -1.187 1
1 1246 . 1 1 1 A 105 105 LYS CB C 105 34.953 34.752 0.201 1
1 1250 . 1 1 1 A 105 105 LYS H H 105 7.805 7.945 -0.140 1
1 1251 . 1 1 1 A 105 105 LYS HA H 105 5.188 4.950 0.238 1
1 1252 . 1 1 1 A 105 105 LYS C C 105 175.389 175.138 0.251 1
1 1261 . 1 1 1 A 106 106 VAL N N 106 121.400 125.118 -3.718 1
1 1262 . 1 1 1 A 106 106 VAL CA C 106 58.522 59.250 -0.728 1
1 1263 . 1 1 1 A 106 106 VAL CB C 106 34.050 34.171 -0.121 1
1 1266 . 1 1 1 A 106 106 VAL C C 106 173.300 173.987 -0.687 1
1 1267 . 1 1 1 A 106 106 VAL H H 106 9.276 9.338 -0.062 1
1 1268 . 1 1 1 A 106 106 VAL HA H 106 4.430 4.698 -0.268 1
1 1276 . 1 1 1 A 107 107 PRO CA C 107 62.265 62.810 -0.545 1
1 1277 . 1 1 1 A 107 107 PRO CB C 107 31.157 32.415 -1.258 1
1 1280 . 1 1 1 A 107 107 PRO C C 107 178.967 177.656 1.311 1
1 1281 . 1 1 1 A 107 107 PRO HA H 107 4.703 4.749 -0.046 1
1 1288 . 1 1 1 A 108 108 MET N N 108 126.300 123.777 2.523 1
1 1289 . 1 1 1 A 108 108 MET CA C 108 56.728 58.091 -1.363 1
1 1290 . 1 1 1 A 108 108 MET CB C 108 32.909 31.850 1.059 1
1 1292 . 1 1 1 A 108 108 MET C C 108 176.858 178.161 -1.303 1
1 1293 . 1 1 1 A 108 108 MET H H 108 8.716 8.498 0.218 1
1 1294 . 1 1 1 A 108 108 MET HA H 108 4.483 4.200 0.283 1
1 1299 . 1 1 1 A 109 109 ASN N N 109 115.600 119.133 -3.533 1
1 1300 . 1 1 1 A 109 109 ASN CA C 109 53.983 55.367 -1.384 1
1 1301 . 1 1 1 A 109 109 ASN CB C 109 36.227 38.635 -2.408 1
1 1302 . 1 1 1 A 109 109 ASN C C 109 175.789 177.182 -1.393 1
1 1303 . 1 1 1 A 109 109 ASN H H 109 8.342 8.202 0.140 1
1 1304 . 1 1 1 A 109 109 ASN HA H 109 4.564 4.571 -0.007 1
1 1310 . 1 1 1 A 110 110 THR N N 110 107.600 109.590 -1.990 1
1 1311 . 1 1 1 A 110 110 THR CA C 110 61.115 62.703 -1.588 1
1 1312 . 1 1 1 A 110 110 THR CB C 110 62.929 69.526 -6.597 1
1 1314 . 1 1 1 A 110 110 THR C C 110 173.508 174.610 -1.102 1
1 1315 . 1 1 1 A 110 110 THR H H 110 7.522 7.434 0.088 1
1 1316 . 1 1 1 A 110 110 THR HA H 110 4.461 4.312 0.149 1
1 1319 . 1 1 1 A 111 111 VAL N N 111 123.700 124.164 -0.464 1
1 1320 . 1 1 1 A 111 111 VAL CA C 111 61.782 61.900 -0.118 1
1 1321 . 1 1 1 A 111 111 VAL CB C 111 32.821 32.101 0.720 1
1 1324 . 1 1 1 A 111 111 VAL C C 111 173.903 174.506 -0.603 1
1 1325 . 1 1 1 A 111 111 VAL H H 111 6.960 7.434 -0.474 1
1 1326 . 1 1 1 A 111 111 VAL HA H 111 3.703 4.068 -0.365 1
1 1334 . 1 1 1 A 112 112 ASP N N 112 125.800 128.093 -2.293 1
1 1335 . 1 1 1 A 112 112 ASP CA C 112 51.777 53.059 -1.282 1
1 1336 . 1 1 1 A 112 112 ASP CB C 112 40.648 40.800 -0.152 1
1 1337 . 1 1 1 A 112 112 ASP C C 112 175.407 175.301 0.106 1
1 1338 . 1 1 1 A 112 112 ASP H H 112 8.341 8.854 -0.513 1
1 1339 . 1 1 1 A 112 112 ASP HA H 112 4.719 4.940 -0.221 1
1 1342 . 1 1 1 A 113 113 PHE N N 113 122.700 125.321 -2.621 1
1 1343 . 1 1 1 A 113 113 PHE CA C 113 59.887 55.839 4.048 1
1 1344 . 1 1 1 A 113 113 PHE CB C 113 37.999 36.979 1.020 1
1 1345 . 1 1 1 A 113 113 PHE C C 113 175.854 176.527 -0.673 1
1 1346 . 1 1 1 A 113 113 PHE H H 113 8.391 9.145 -0.754 1
1 1347 . 1 1 1 A 113 113 PHE HA H 113 4.670 4.736 -0.066 1
1 1350 . 1 1 1 A 114 114 GLY N N 114 108.608 109.105 -0.497 1
1 1351 . 1 1 1 A 114 114 GLY CA C 114 45.657 46.760 -1.103 1
1 1352 . 1 1 1 A 114 114 GLY C C 114 172.963 175.470 -2.507 1
1 1353 . 1 1 1 A 114 114 GLY H H 114 8.953 8.427 0.526 1
1 1354 . 1 1 1 A 114 114 GLY HA3 H 114 4.018 3.405 0.613 1
1 1355 . 1 1 1 A 114 114 GLY HA2 H 114 3.912 3.126 0.786 1
1 1356 . 1 1 1 A 115 115 HIS N N 115 114.926 119.013 -4.087 1
1 1357 . 1 1 1 A 115 115 HIS CA C 115 53.533 56.339 -2.806 1
1 1358 . 1 1 1 A 115 115 HIS CB C 115 30.349 31.066 -0.717 1
1 1359 . 1 1 1 A 115 115 HIS C C 115 172.453 174.897 -2.444 1
1 1360 . 1 1 1 A 115 115 HIS H H 115 7.510 7.991 -0.481 1
1 1361 . 1 1 1 A 115 115 HIS HA H 115 4.868 5.080 -0.212 1
1 1364 . 1 1 1 A 116 116 VAL N N 116 122.100 115.139 6.961 1
1 1365 . 1 1 1 A 116 116 VAL CA C 116 62.992 60.502 2.490 1
1 1366 . 1 1 1 A 116 116 VAL CB C 116 31.850 34.162 -2.312 1
1 1369 . 1 1 1 A 116 116 VAL C C 116 176.352 174.469 1.883 1
1 1370 . 1 1 1 A 116 116 VAL H H 116 8.460 8.012 0.448 1
1 1371 . 1 1 1 A 116 116 VAL HA H 116 4.268 4.793 -0.525 1
1 1379 . 1 1 1 A 117 117 THR N N 117 124.700 122.483 2.217 1
1 1380 . 1 1 1 A 117 117 THR CA C 117 61.694 62.064 -0.370 1
1 1381 . 1 1 1 A 117 117 THR CB C 117 70.001 68.185 1.816 1
1 1383 . 1 1 1 A 117 117 THR C C 117 172.762 173.801 -1.039 1
1 1384 . 1 1 1 A 117 117 THR H H 117 8.550 9.849 -1.299 1
1 1385 . 1 1 1 A 117 117 THR HA H 117 4.460 4.530 -0.070 1
1 1388 . 1 1 1 A 118 118 GLU N N 118 126.000 126.475 -0.475 1
1 1389 . 1 1 1 A 118 118 GLU CA C 118 55.038 55.202 -0.164 1
1 1390 . 1 1 1 A 118 118 GLU CB C 118 30.835 31.102 -0.267 1
1 1392 . 1 1 1 A 118 118 GLU C C 118 174.419 175.084 -0.665 1
1 1393 . 1 1 1 A 118 118 GLU H H 118 8.382 8.936 -0.554 1
1 1394 . 1 1 1 A 118 118 GLU HA H 118 4.776 5.072 -0.296 1
1 1399 . 1 1 1 A 119 119 GLU N N 119 123.000 121.015 1.985 1
1 1400 . 1 1 1 A 119 119 GLU CA C 119 54.292 54.779 -0.487 1
1 1401 . 1 1 1 A 119 119 GLU CB C 119 32.909 33.531 -0.622 1
1 1403 . 1 1 1 A 119 119 GLU C C 119 173.072 174.312 -1.240 1
1 1404 . 1 1 1 A 119 119 GLU H H 119 8.057 8.535 -0.478 1
1 1405 . 1 1 1 A 119 119 GLU HA H 119 4.631 4.380 0.251 1
1 1410 . 1 1 1 A 120 120 TRP N N 120 118.300 122.155 -3.855 1
1 1411 . 1 1 1 A 120 120 TRP C C 120 177.336 175.250 2.086 1
1 1412 . 1 1 1 A 120 120 TRP CA C 120 55.672 56.650 -0.978 1
1 1413 . 1 1 1 A 120 120 TRP CB C 120 31.259 29.875 1.384 1
1 1414 . 1 1 1 A 120 120 TRP H H 120 8.212 8.321 -0.109 1
1 1415 . 1 1 1 A 120 120 TRP HA H 120 5.322 5.056 0.266 1
1 1424 . 1 1 1 A 121 121 ARG N N 121 120.900 126.275 -5.375 1
1 1425 . 1 1 1 A 121 121 ARG CA C 121 53.631 53.708 -0.077 1
1 1426 . 1 1 1 A 121 121 ARG CB C 121 32.865 32.361 0.504 1
1 1429 . 1 1 1 A 121 121 ARG C C 121 174.321 175.262 -0.941 1
1 1430 . 1 1 1 A 121 121 ARG H H 121 9.012 8.325 0.687 1
1 1431 . 1 1 1 A 121 121 ARG HA H 121 4.488 4.681 -0.193 1
1 1438 . 1 1 1 A 122 122 ASP N N 122 121.600 123.859 -2.259 1
1 1439 . 1 1 1 A 122 122 ASP CA C 122 53.795 53.184 0.611 1
1 1440 . 1 1 1 A 122 122 ASP CB C 122 40.544 42.067 -1.523 1
1 1441 . 1 1 1 A 122 122 ASP C C 122 176.041 175.744 0.297 1
1 1442 . 1 1 1 A 122 122 ASP H H 122 8.226 8.527 -0.301 1
1 1443 . 1 1 1 A 122 122 ASP HA H 122 4.791 5.152 -0.361 1
1 1446 . 1 1 1 A 123 123 LEU N N 123 120.700 124.510 -3.810 1
1 1447 . 1 1 1 A 123 123 LEU CA C 123 54.997 54.406 0.591 1
1 1448 . 1 1 1 A 123 123 LEU CB C 123 41.765 41.630 0.135 1
1 1452 . 1 1 1 A 123 123 LEU C C 123 175.964 176.776 -0.812 1
1 1453 . 1 1 1 A 123 123 LEU H H 123 8.436 8.693 -0.257 1
1 1454 . 1 1 1 A 123 123 LEU HA H 123 4.125 4.665 -0.540 1
1 1464 . 1 1 1 A 124 124 GLN N N 124 119.200 124.563 -5.363 1
1 1466 . 1 1 1 A 124 124 GLN CA C 124 53.278 54.813 -1.535 1
1 1467 . 1 1 1 A 124 124 GLN CB C 124 31.232 30.062 1.170 1
1 1469 . 1 1 1 A 124 124 GLN C C 124 175.183 175.909 -0.726 1
1 1470 . 1 1 1 A 124 124 GLN H H 124 9.020 8.975 0.045 1
1 1471 . 1 1 1 A 124 124 GLN HA H 124 4.738 4.720 0.018 1
1 1478 . 1 1 1 A 125 125 SER N N 125 115.300 117.877 -2.577 1
1 1479 . 1 1 1 A 125 125 SER H H 125 8.543 8.507 0.036 1
1 1480 . 1 1 1 A 125 125 SER CA C 125 58.477 60.628 -2.151 1
1 1481 . 1 1 1 A 125 125 SER CB C 125 63.274 63.541 -0.267 1
1 1482 . 1 1 1 A 125 125 SER C C 125 174.609 174.269 0.340 1
1 1483 . 1 1 1 A 125 125 SER HA H 125 4.235 4.316 -0.081 1
1 1486 . 1 1 1 A 126 126 ALA N N 126 126.900 128.828 -1.928 1
1 1487 . 1 1 1 A 126 126 ALA CA C 126 51.636 50.470 1.166 1
1 1488 . 1 1 1 A 126 126 ALA CB C 126 19.845 21.207 -1.362 1
1 1489 . 1 1 1 A 126 126 ALA C C 126 176.876 176.552 0.324 1
1 1490 . 1 1 1 A 126 126 ALA H H 126 8.640 8.685 -0.045 1
1 1491 . 1 1 1 A 126 126 ALA HA H 126 4.216 5.232 -1.016 1
1 1495 . 1 1 1 A 127 127 GLU N N 127 120.600 122.334 -1.734 1
1 1496 . 1 1 1 A 127 127 GLU CA C 127 56.142 55.072 1.070 1
1 1497 . 1 1 1 A 127 127 GLU CB C 127 29.996 30.272 -0.276 1
1 1499 . 1 1 1 A 127 127 GLU C C 127 175.129 174.585 0.544 1
1 1500 . 1 1 1 A 127 127 GLU H H 127 8.204 8.819 -0.615 1
1 1501 . 1 1 1 A 127 127 GLU HA H 127 4.176 4.843 -0.667 1
1 12 . 2 1 1 A 2 2 LYS N N 2 123.200 118.240 4.960 1
1 13 . 2 1 1 A 2 2 LYS CA C 2 55.550 55.257 0.293 1
1 14 . 2 1 1 A 2 2 LYS CB C 2 31.730 32.732 -1.002 1
1 18 . 2 1 1 A 2 2 LYS H H 2 8.320 8.756 -0.436 1
1 19 . 2 1 1 A 2 2 LYS C C 2 176.041 176.087 -0.046 1
1 20 . 2 1 1 A 2 2 LYS HA H 2 4.413 4.941 -0.528 1
1 29 . 2 1 1 A 3 3 LEU N N 3 124.700 124.023 0.677 1
1 30 . 2 1 1 A 3 3 LEU CA C 3 53.800 55.799 -1.999 1
1 31 . 2 1 1 A 3 3 LEU CB C 3 43.351 43.455 -0.104 1
1 35 . 2 1 1 A 3 3 LEU C C 3 173.289 176.633 -3.344 1
1 36 . 2 1 1 A 3 3 LEU H H 3 8.319 8.621 -0.302 1
1 37 . 2 1 1 A 3 3 LEU HA H 3 4.363 4.206 0.157 1
1 47 . 2 1 1 A 4 4 GLY N N 4 102.100 107.267 -5.167 1
1 48 . 2 1 1 A 4 4 GLY CA C 4 44.232 44.468 -0.236 1
1 49 . 2 1 1 A 4 4 GLY C C 4 174.476 172.948 1.528 1
1 50 . 2 1 1 A 4 4 GLY H H 4 7.412 7.826 -0.414 1
1 51 . 2 1 1 A 4 4 GLY HA3 H 4 4.367 4.023 0.344 1
1 52 . 2 1 1 A 4 4 GLY HA2 H 4 3.662 4.020 -0.358 1
1 53 . 2 1 1 A 5 5 LYS N N 5 114.993 120.565 -5.572 1
1 54 . 2 1 1 A 5 5 LYS CA C 5 54.807 54.574 0.233 1
1 55 . 2 1 1 A 5 5 LYS CB C 5 36.664 36.789 -0.125 1
1 59 . 2 1 1 A 5 5 LYS C C 5 173.762 174.778 -1.016 1
1 60 . 2 1 1 A 5 5 LYS H H 5 8.748 8.262 0.486 1
1 61 . 2 1 1 A 5 5 LYS HA H 5 5.333 5.197 0.136 1
1 70 . 2 1 1 A 6 6 LEU N N 6 122.195 124.190 -1.995 1
1 71 . 2 1 1 A 6 6 LEU CA C 6 53.760 53.922 -0.162 1
1 72 . 2 1 1 A 6 6 LEU CB C 6 47.948 45.186 2.762 1
1 76 . 2 1 1 A 6 6 LEU C C 6 172.524 175.374 -2.850 1
1 77 . 2 1 1 A 6 6 LEU H H 6 9.058 9.285 -0.227 1
1 78 . 2 1 1 A 6 6 LEU HA H 6 5.312 5.303 0.009 1
1 88 . 2 1 1 A 7 7 GLN N N 7 127.800 125.541 2.259 1
1 90 . 2 1 1 A 7 7 GLN CA C 7 52.595 55.227 -2.632 1
1 91 . 2 1 1 A 7 7 GLN CB C 7 28.032 29.448 -1.416 1
1 93 . 2 1 1 A 7 7 GLN C C 7 173.707 175.283 -1.576 1
1 94 . 2 1 1 A 7 7 GLN H H 7 8.945 8.360 0.585 1
1 95 . 2 1 1 A 7 7 GLN HA H 7 5.170 4.820 0.350 1
1 102 . 2 1 1 A 8 8 TYR N N 8 125.700 119.856 5.844 1
1 103 . 2 1 1 A 8 8 TYR CA C 8 54.578 55.463 -0.885 1
1 104 . 2 1 1 A 8 8 TYR CB C 8 42.236 41.404 0.832 1
1 105 . 2 1 1 A 8 8 TYR C C 8 171.582 173.380 -1.798 1
1 106 . 2 1 1 A 8 8 TYR H H 8 8.445 8.806 -0.361 1
1 107 . 2 1 1 A 8 8 TYR HA H 8 5.401 5.485 -0.084 1
1 110 . 2 1 1 A 9 9 SER N N 9 113.300 114.737 -1.437 1
1 111 . 2 1 1 A 9 9 SER H H 9 9.486 9.152 0.334 1
1 112 . 2 1 1 A 9 9 SER CA C 9 55.195 57.568 -2.373 1
1 113 . 2 1 1 A 9 9 SER CB C 9 67.116 65.357 1.759 1
1 114 . 2 1 1 A 9 9 SER C C 9 173.486 172.862 0.624 1
1 115 . 2 1 1 A 9 9 SER HA H 9 5.400 5.560 -0.160 1
1 118 . 2 1 1 A 10 10 LEU N N 10 120.700 127.402 -6.702 1
1 119 . 2 1 1 A 10 10 LEU CA C 10 53.388 53.237 0.151 1
1 120 . 2 1 1 A 10 10 LEU CB C 10 46.946 44.793 2.153 1
1 121 . 2 1 1 A 10 10 LEU C C 10 174.640 174.781 -0.141 1
1 125 . 2 1 1 A 10 10 LEU H H 10 8.698 9.450 -0.752 1
1 126 . 2 1 1 A 10 10 LEU HA H 10 5.471 5.485 -0.014 1
1 136 . 2 1 1 A 11 11 ASP N N 11 119.760 121.868 -2.108 1
1 137 . 2 1 1 A 11 11 ASP CA C 11 52.525 52.082 0.443 1
1 138 . 2 1 1 A 11 11 ASP CB C 11 44.683 44.609 0.074 1
1 139 . 2 1 1 A 11 11 ASP C C 11 173.093 174.045 -0.952 1
1 140 . 2 1 1 A 11 11 ASP H H 11 8.673 9.149 -0.476 1
1 141 . 2 1 1 A 11 11 ASP HA H 11 5.126 5.512 -0.386 1
1 144 . 2 1 1 A 12 12 TYR N N 12 124.200 116.714 7.486 1
1 145 . 2 1 1 A 12 12 TYR CA C 12 57.883 55.408 2.475 1
1 146 . 2 1 1 A 12 12 TYR CB C 12 40.054 41.440 -1.386 1
1 147 . 2 1 1 A 12 12 TYR C C 12 171.962 172.753 -0.791 1
1 148 . 2 1 1 A 12 12 TYR H H 12 8.898 8.769 0.129 1
1 149 . 2 1 1 A 12 12 TYR HA H 12 4.609 5.736 -1.127 1
1 154 . 2 1 1 A 13 13 ASP N N 13 126.400 124.736 1.664 1
1 155 . 2 1 1 A 13 13 ASP CA C 13 51.141 52.949 -1.808 1
1 156 . 2 1 1 A 13 13 ASP CB C 13 40.891 40.980 -0.089 1
1 157 . 2 1 1 A 13 13 ASP C C 13 175.599 176.507 -0.908 1
1 158 . 2 1 1 A 13 13 ASP H H 13 8.018 8.502 -0.484 1
1 159 . 2 1 1 A 13 13 ASP HA H 13 4.591 4.625 -0.034 1
1 162 . 2 1 1 A 14 14 PHE N N 14 123.575 124.169 -0.594 1
1 163 . 2 1 1 A 14 14 PHE CA C 14 60.734 58.610 2.124 1
1 164 . 2 1 1 A 14 14 PHE CB C 14 38.821 39.055 -0.234 1
1 165 . 2 1 1 A 14 14 PHE C C 14 176.704 176.098 0.606 1
1 166 . 2 1 1 A 14 14 PHE H H 14 8.540 7.820 0.720 1
1 167 . 2 1 1 A 14 14 PHE HA H 14 4.187 4.597 -0.410 1
1 170 . 2 1 1 A 15 15 GLN N N 15 118.500 117.168 1.332 1
1 172 . 2 1 1 A 15 15 GLN CA C 15 57.927 55.885 2.042 1
1 173 . 2 1 1 A 15 15 GLN CB C 15 28.129 27.944 0.185 1
1 175 . 2 1 1 A 15 15 GLN C C 15 176.646 176.654 -0.008 1
1 176 . 2 1 1 A 15 15 GLN H H 15 8.307 7.604 0.703 1
1 177 . 2 1 1 A 15 15 GLN HA H 15 4.150 4.304 -0.154 1
1 184 . 2 1 1 A 16 16 ASN N N 16 113.392 116.725 -3.333 1
1 185 . 2 1 1 A 16 16 ASN CA C 16 52.051 51.859 0.192 1
1 186 . 2 1 1 A 16 16 ASN CB C 16 39.238 37.792 1.446 1
1 187 . 2 1 1 A 16 16 ASN C C 16 173.191 175.007 -1.816 1
1 188 . 2 1 1 A 16 16 ASN H H 16 7.347 7.911 -0.564 1
1 189 . 2 1 1 A 16 16 ASN HA H 16 4.682 4.697 -0.015 1
1 195 . 2 1 1 A 17 17 ASN N N 17 118.200 115.070 3.130 1
1 196 . 2 1 1 A 17 17 ASN CA C 17 54.524 54.700 -0.176 1
1 197 . 2 1 1 A 17 17 ASN CB C 17 36.825 36.885 -0.060 1
1 198 . 2 1 1 A 17 17 ASN C C 17 175.797 173.716 2.081 1
1 199 . 2 1 1 A 17 17 ASN H H 17 7.682 8.034 -0.352 1
1 200 . 2 1 1 A 17 17 ASN HA H 17 4.300 4.489 -0.189 1
1 206 . 2 1 1 A 18 18 GLN N N 18 110.518 113.184 -2.666 1
1 208 . 2 1 1 A 18 18 GLN CA C 18 52.888 54.142 -1.254 1
1 209 . 2 1 1 A 18 18 GLN CB C 18 31.353 31.866 -0.513 1
1 211 . 2 1 1 A 18 18 GLN C C 18 171.717 174.003 -2.286 1
1 212 . 2 1 1 A 18 18 GLN H H 18 6.757 7.699 -0.942 1
1 213 . 2 1 1 A 18 18 GLN HA H 18 4.911 5.137 -0.226 1
1 220 . 2 1 1 A 19 19 LEU N N 19 124.400 124.260 0.140 1
1 221 . 2 1 1 A 19 19 LEU CA C 19 53.873 54.230 -0.357 1
1 222 . 2 1 1 A 19 19 LEU CB C 19 44.558 42.268 2.290 1
1 226 . 2 1 1 A 19 19 LEU C C 19 173.731 175.940 -2.209 1
1 227 . 2 1 1 A 19 19 LEU H H 19 9.048 8.968 0.080 1
1 228 . 2 1 1 A 19 19 LEU HA H 19 4.543 4.566 -0.023 1
1 238 . 2 1 1 A 20 20 LEU N N 20 128.415 124.333 4.082 1
1 239 . 2 1 1 A 20 20 LEU CA C 20 53.695 53.410 0.285 1
1 240 . 2 1 1 A 20 20 LEU CB C 20 41.956 45.367 -3.411 1
1 244 . 2 1 1 A 20 20 LEU C C 20 175.696 174.621 1.075 1
1 245 . 2 1 1 A 20 20 LEU H H 20 9.021 9.477 -0.456 1
1 246 . 2 1 1 A 20 20 LEU HA H 20 4.852 5.109 -0.257 1
1 256 . 2 1 1 A 21 21 VAL N N 21 125.838 127.480 -1.642 1
1 257 . 2 1 1 A 21 21 VAL CA C 21 60.511 61.363 -0.852 1
1 258 . 2 1 1 A 21 21 VAL CB C 21 45.331 32.699 12.632 1
1 260 . 2 1 1 A 21 21 VAL C C 21 173.979 175.008 -1.029 1
1 261 . 2 1 1 A 21 21 VAL H H 21 9.073 8.951 0.122 1
1 262 . 2 1 1 A 21 21 VAL HA H 21 4.853 4.499 0.354 1
1 270 . 2 1 1 A 22 22 GLY N N 22 117.254 113.802 3.452 1
1 271 . 2 1 1 A 22 22 GLY CA C 22 43.843 45.825 -1.982 1
1 272 . 2 1 1 A 22 22 GLY C C 22 172.485 174.438 -1.953 1
1 273 . 2 1 1 A 22 22 GLY H H 22 9.486 8.532 0.954 1
1 274 . 2 1 1 A 22 22 GLY HA3 H 22 4.653 4.146 0.507 1
1 275 . 2 1 1 A 22 22 GLY HA2 H 22 3.520 4.116 -0.596 1
1 276 . 2 1 1 A 23 23 ILE N N 23 125.106 122.517 2.589 1
1 277 . 2 1 1 A 23 23 ILE CA C 23 58.182 59.919 -1.737 1
1 278 . 2 1 1 A 23 23 ILE CB C 23 35.290 38.647 -3.357 1
1 282 . 2 1 1 A 23 23 ILE C C 23 174.346 176.152 -1.806 1
1 283 . 2 1 1 A 23 23 ILE H H 23 8.831 8.688 0.143 1
1 284 . 2 1 1 A 23 23 ILE HA H 23 4.330 4.747 -0.417 1
1 294 . 2 1 1 A 24 24 ILE N N 24 126.735 120.989 5.746 1
1 295 . 2 1 1 A 24 24 ILE CA C 24 65.005 62.753 2.252 1
1 296 . 2 1 1 A 24 24 ILE CB C 24 37.790 38.887 -1.097 1
1 300 . 2 1 1 A 24 24 ILE C C 24 177.149 176.270 0.879 1
1 301 . 2 1 1 A 24 24 ILE H H 24 8.365 8.556 -0.191 1
1 302 . 2 1 1 A 24 24 ILE HA H 24 3.903 4.356 -0.453 1
1 312 . 2 1 1 A 25 25 GLN N N 25 110.662 114.873 -4.211 1
1 314 . 2 1 1 A 25 25 GLN CA C 25 54.295 54.594 -0.299 1
1 315 . 2 1 1 A 25 25 GLN CB C 25 30.953 32.075 -1.122 1
1 317 . 2 1 1 A 25 25 GLN C C 25 171.152 173.378 -2.226 1
1 318 . 2 1 1 A 25 25 GLN H H 25 7.706 7.678 0.028 1
1 319 . 2 1 1 A 25 25 GLN HA H 25 5.123 4.800 0.323 1
1 325 . 2 1 1 A 26 26 ALA N N 26 121.300 123.178 -1.878 1
1 326 . 2 1 1 A 26 26 ALA CA C 26 49.951 50.178 -0.227 1
1 327 . 2 1 1 A 26 26 ALA CB C 26 22.406 21.802 0.604 1
1 328 . 2 1 1 A 26 26 ALA C C 26 171.937 175.998 -4.061 1
1 329 . 2 1 1 A 26 26 ALA H H 26 9.195 8.286 0.909 1
1 330 . 2 1 1 A 26 26 ALA HA H 26 5.740 5.409 0.331 1
1 334 . 2 1 1 A 27 27 ALA N N 27 120.100 122.069 -1.969 1
1 335 . 2 1 1 A 27 27 ALA CA C 27 50.524 50.617 -0.093 1
1 336 . 2 1 1 A 27 27 ALA CB C 27 24.047 21.517 2.530 1
1 337 . 2 1 1 A 27 27 ALA C C 27 174.984 176.797 -1.813 1
1 338 . 2 1 1 A 27 27 ALA H H 27 9.118 8.684 0.434 1
1 339 . 2 1 1 A 27 27 ALA HA H 27 5.353 4.781 0.572 1
1 343 . 2 1 1 A 28 28 GLU N N 28 112.600 119.567 -6.967 1
1 344 . 2 1 1 A 28 28 GLU CA C 28 56.032 57.285 -1.253 1
1 345 . 2 1 1 A 28 28 GLU CB C 28 25.966 27.496 -1.530 1
1 347 . 2 1 1 A 28 28 GLU C C 28 174.427 175.647 -1.220 1
1 348 . 2 1 1 A 28 28 GLU H H 28 8.453 8.568 -0.115 1
1 349 . 2 1 1 A 28 28 GLU HA H 28 3.648 3.800 -0.152 1
1 354 . 2 1 1 A 29 29 LEU N N 29 116.093 120.696 -4.603 1
1 355 . 2 1 1 A 29 29 LEU CA C 29 53.295 52.846 0.449 1
1 356 . 2 1 1 A 29 29 LEU CB C 29 39.640 41.180 -1.540 1
1 360 . 2 1 1 A 29 29 LEU C C 29 173.800 174.490 -0.690 1
1 361 . 2 1 1 A 29 29 LEU H H 29 7.951 7.989 -0.038 1
1 362 . 2 1 1 A 29 29 LEU HA H 29 4.330 4.897 -0.567 1
1 372 . 2 1 1 A 30 30 PRO CA C 30 61.760 62.708 -0.948 1
1 373 . 2 1 1 A 30 30 PRO CB C 30 31.492 31.860 -0.368 1
1 376 . 2 1 1 A 30 30 PRO C C 30 175.525 176.737 -1.212 1
1 377 . 2 1 1 A 30 30 PRO HA H 30 4.327 4.461 -0.134 1
1 383 . 2 1 1 A 31 31 ALA N N 31 122.487 124.433 -1.946 1
1 384 . 2 1 1 A 31 31 ALA CA C 31 50.604 52.378 -1.774 1
1 385 . 2 1 1 A 31 31 ALA CB C 31 18.576 19.537 -0.961 1
1 386 . 2 1 1 A 31 31 ALA C C 31 177.222 177.945 -0.723 1
1 387 . 2 1 1 A 31 31 ALA H H 31 8.128 8.291 -0.163 1
1 388 . 2 1 1 A 31 31 ALA HA H 31 4.130 4.480 -0.350 1
1 392 . 2 1 1 A 32 32 LEU N N 32 124.400 123.643 0.757 1
1 393 . 2 1 1 A 32 32 LEU CA C 32 55.041 53.841 1.200 1
1 394 . 2 1 1 A 32 32 LEU CB C 32 42.916 42.046 0.870 1
1 398 . 2 1 1 A 32 32 LEU C C 32 176.852 175.164 1.688 1
1 399 . 2 1 1 A 32 32 LEU H H 32 8.035 8.870 -0.835 1
1 400 . 2 1 1 A 32 32 LEU HA H 32 4.240 4.686 -0.446 1
1 410 . 2 1 1 A 33 33 ASP N N 33 119.800 120.052 -0.252 1
1 411 . 2 1 1 A 33 33 ASP CA C 33 52.948 53.222 -0.274 1
1 412 . 2 1 1 A 33 33 ASP CB C 33 41.578 44.942 -3.364 1
1 413 . 2 1 1 A 33 33 ASP C C 33 176.200 174.030 2.170 1
1 414 . 2 1 1 A 33 33 ASP H H 33 8.400 7.158 1.242 1
1 415 . 2 1 1 A 33 33 ASP HA H 33 4.785 5.046 -0.261 1
1 418 . 2 1 1 A 34 34 MET N N 34 120.000 122.305 -2.305 1
1 419 . 2 1 1 A 34 34 MET CA C 34 56.561 54.420 2.141 1
1 420 . 2 1 1 A 34 34 MET CB C 34 31.288 31.029 0.259 1
1 422 . 2 1 1 A 34 34 MET C C 34 176.483 176.546 -0.063 1
1 423 . 2 1 1 A 34 34 MET H H 34 8.492 8.786 -0.294 1
1 424 . 2 1 1 A 34 34 MET HA H 34 4.213 4.479 -0.266 1
1 429 . 2 1 1 A 35 35 GLY N N 35 110.400 108.474 1.926 1
1 430 . 2 1 1 A 35 35 GLY CA C 35 44.884 45.520 -0.636 1
1 431 . 2 1 1 A 35 35 GLY C C 35 174.831 175.145 -0.314 1
1 432 . 2 1 1 A 35 35 GLY H H 35 8.668 8.247 0.421 1
1 433 . 2 1 1 A 35 35 GLY HA3 H 35 4.039 4.020 0.019 1
1 434 . 2 1 1 A 35 35 GLY HA2 H 35 3.818 4.015 -0.197 1
1 435 . 2 1 1 A 36 36 GLY N N 36 107.400 109.508 -2.108 1
1 436 . 2 1 1 A 36 36 GLY CA C 36 45.427 46.715 -1.288 1
1 437 . 2 1 1 A 36 36 GLY C C 36 173.194 173.596 -0.402 1
1 438 . 2 1 1 A 36 36 GLY H H 36 8.008 7.656 0.352 1
1 439 . 2 1 1 A 36 36 GLY HA3 H 36 4.000 3.920 0.080 1
1 440 . 2 1 1 A 36 36 GLY HA2 H 36 3.861 3.919 -0.058 1
1 441 . 2 1 1 A 37 37 THR N N 37 111.100 110.083 1.017 1
1 442 . 2 1 1 A 37 37 THR CA C 37 59.954 59.470 0.484 1
1 443 . 2 1 1 A 37 37 THR CB C 37 70.589 72.834 -2.245 1
1 445 . 2 1 1 A 37 37 THR C C 37 171.355 172.710 -1.355 1
1 446 . 2 1 1 A 37 37 THR H H 37 7.476 7.498 -0.022 1
1 447 . 2 1 1 A 37 37 THR HA H 37 4.511 5.074 -0.563 1
1 450 . 2 1 1 A 38 38 SER N N 38 115.811 116.388 -0.577 1
1 451 . 2 1 1 A 38 38 SER CA C 38 57.664 56.373 1.291 1
1 452 . 2 1 1 A 38 38 SER CB C 38 70.510 66.506 4.004 1
1 453 . 2 1 1 A 38 38 SER C C 38 170.198 172.657 -2.459 1
1 454 . 2 1 1 A 38 38 SER H H 38 7.257 9.121 -1.864 1
1 455 . 2 1 1 A 38 38 SER HA H 38 4.707 5.597 -0.890 1
1 458 . 2 1 1 A 39 39 ASP N N 39 121.288 123.444 -2.156 1
1 459 . 2 1 1 A 39 39 ASP CA C 39 51.058 51.666 -0.608 1
1 460 . 2 1 1 A 39 39 ASP CB C 39 42.210 41.867 0.343 1
1 461 . 2 1 1 A 39 39 ASP C C 39 172.500 173.673 -1.173 1
1 462 . 2 1 1 A 39 39 ASP H H 39 8.698 9.101 -0.403 1
1 463 . 2 1 1 A 39 39 ASP HA H 39 5.940 5.963 -0.023 1
1 466 . 2 1 1 A 40 40 PRO CA C 40 62.440 63.036 -0.596 1
1 467 . 2 1 1 A 40 40 PRO CB C 40 34.370 32.649 1.721 1
1 470 . 2 1 1 A 40 40 PRO C C 40 176.317 176.157 0.160 1
1 471 . 2 1 1 A 40 40 PRO HA H 40 5.826 4.696 1.130 1
1 478 . 2 1 1 A 41 41 TYR N N 41 113.769 118.595 -4.826 1
1 479 . 2 1 1 A 41 41 TYR CA C 41 56.150 56.965 -0.815 1
1 480 . 2 1 1 A 41 41 TYR CB C 41 40.246 41.362 -1.116 1
1 481 . 2 1 1 A 41 41 TYR C C 41 171.425 173.350 -1.925 1
1 482 . 2 1 1 A 41 41 TYR H H 41 8.703 8.768 -0.065 1
1 483 . 2 1 1 A 41 41 TYR HA H 41 4.795 5.193 -0.398 1
1 487 . 2 1 1 A 42 42 VAL N N 42 119.919 121.568 -1.649 1
1 488 . 2 1 1 A 42 42 VAL CA C 42 60.064 60.930 -0.866 1
1 489 . 2 1 1 A 42 42 VAL CB C 42 33.816 32.830 0.986 1
1 492 . 2 1 1 A 42 42 VAL C C 42 174.456 175.182 -0.726 1
1 493 . 2 1 1 A 42 42 VAL HA H 42 5.020 4.788 0.232 1
1 501 . 2 1 1 A 43 43 LYS N N 43 125.776 125.875 -0.099 1
1 502 . 2 1 1 A 43 43 LYS CA C 43 54.601 55.545 -0.944 1
1 503 . 2 1 1 A 43 43 LYS CB C 43 36.096 31.938 4.158 1
1 507 . 2 1 1 A 43 43 LYS C C 43 174.518 175.378 -0.860 1
1 508 . 2 1 1 A 43 43 LYS H H 43 9.415 8.606 0.809 1
1 509 . 2 1 1 A 43 43 LYS HA H 43 5.374 4.328 1.046 1
1 518 . 2 1 1 A 44 44 VAL N N 44 121.484 120.414 1.070 1
1 519 . 2 1 1 A 44 44 VAL CA C 44 59.365 60.142 -0.777 1
1 520 . 2 1 1 A 44 44 VAL CB C 44 34.818 32.687 2.131 1
1 523 . 2 1 1 A 44 44 VAL C C 44 173.928 174.366 -0.438 1
1 524 . 2 1 1 A 44 44 VAL H H 44 8.845 7.900 0.945 1
1 525 . 2 1 1 A 44 44 VAL HA H 44 5.326 4.636 0.690 1
1 533 . 2 1 1 A 45 45 PHE N N 45 120.600 122.970 -2.370 1
1 534 . 2 1 1 A 45 45 PHE CA C 45 55.886 55.915 -0.029 1
1 535 . 2 1 1 A 45 45 PHE CB C 45 39.882 44.143 -4.261 1
1 536 . 2 1 1 A 45 45 PHE C C 45 171.102 174.741 -3.639 1
1 537 . 2 1 1 A 45 45 PHE H H 45 8.254 9.079 -0.825 1
1 538 . 2 1 1 A 45 45 PHE HA H 45 4.971 5.164 -0.193 1
1 541 . 2 1 1 A 46 46 LEU N N 46 121.444 121.112 0.332 1
1 542 . 2 1 1 A 46 46 LEU CA C 46 52.376 53.607 -1.231 1
1 543 . 2 1 1 A 46 46 LEU CB C 46 43.229 45.292 -2.063 1
1 547 . 2 1 1 A 46 46 LEU C C 46 176.176 175.117 1.059 1
1 548 . 2 1 1 A 46 46 LEU H H 46 9.137 8.983 0.154 1
1 549 . 2 1 1 A 46 46 LEU HA H 46 4.189 5.167 -0.978 1
1 559 . 2 1 1 A 47 47 LEU N N 47 123.900 123.108 0.792 1
1 560 . 2 1 1 A 47 47 LEU CA C 47 52.926 52.358 0.568 1
1 561 . 2 1 1 A 47 47 LEU CB C 47 41.010 43.477 -2.467 1
1 565 . 2 1 1 A 47 47 LEU C C 47 175.800 177.256 -1.456 1
1 566 . 2 1 1 A 47 47 LEU H H 47 8.945 8.781 0.164 1
1 567 . 2 1 1 A 47 47 LEU HA H 47 4.185 4.582 -0.397 1
1 577 . 2 1 1 A 48 48 PRO CA C 48 62.992 65.078 -2.086 1
1 578 . 2 1 1 A 48 48 PRO CB C 48 24.080 31.993 -7.913 1
1 581 . 2 1 1 A 48 48 PRO C C 48 176.188 177.641 -1.453 1
1 582 . 2 1 1 A 48 48 PRO HA H 48 4.474 4.223 0.251 1
1 588 . 2 1 1 A 49 49 ASP N N 49 113.800 116.358 -2.558 1
1 589 . 2 1 1 A 49 49 ASP CA C 49 55.199 56.837 -1.638 1
1 590 . 2 1 1 A 49 49 ASP CB C 49 40.158 41.507 -1.349 1
1 591 . 2 1 1 A 49 49 ASP C C 49 175.304 175.914 -0.610 1
1 592 . 2 1 1 A 49 49 ASP H H 49 8.467 9.138 -0.671 1
1 593 . 2 1 1 A 49 49 ASP HA H 49 4.576 4.432 0.144 1
1 596 . 2 1 1 A 50 50 LYS N N 50 120.081 118.567 1.514 1
1 597 . 2 1 1 A 50 50 LYS CA C 50 56.803 57.108 -0.305 1
1 598 . 2 1 1 A 50 50 LYS CB C 50 32.059 30.574 1.485 1
1 602 . 2 1 1 A 50 50 LYS H H 50 8.329 7.932 0.397 1
1 603 . 2 1 1 A 50 50 LYS HA H 50 3.949 3.934 0.015 1
1 604 . 2 1 1 A 50 50 LYS C C 50 175.754 176.680 -0.926 1
1 613 . 2 1 1 A 51 51 LYS N N 51 117.896 117.529 0.367 1
1 614 . 2 1 1 A 51 51 LYS CA C 51 57.360 56.277 1.083 1
1 615 . 2 1 1 A 51 51 LYS CB C 51 32.230 32.367 -0.137 1
1 619 . 2 1 1 A 51 51 LYS H H 51 8.099 8.492 -0.393 1
1 620 . 2 1 1 A 51 51 LYS HA H 51 3.950 4.427 -0.477 1
1 621 . 2 1 1 A 51 51 LYS C C 51 176.619 175.478 1.141 1
1 630 . 2 1 1 A 52 52 LYS N N 52 120.200 116.947 3.253 1
1 631 . 2 1 1 A 52 52 LYS CA C 52 54.688 55.477 -0.789 1
1 632 . 2 1 1 A 52 52 LYS CB C 52 31.829 33.372 -1.543 1
1 636 . 2 1 1 A 52 52 LYS H H 52 7.447 7.872 -0.425 1
1 637 . 2 1 1 A 52 52 LYS HA H 52 4.259 4.833 -0.574 1
1 638 . 2 1 1 A 52 52 LYS C C 52 173.420 174.912 -1.492 1
1 647 . 2 1 1 A 53 53 LYS N N 53 123.119 126.754 -3.635 1
1 648 . 2 1 1 A 53 53 LYS CA C 53 53.698 55.532 -1.834 1
1 649 . 2 1 1 A 53 53 LYS CB C 53 41.592 33.483 8.109 1
1 653 . 2 1 1 A 53 53 LYS H H 53 7.810 9.038 -1.228 1
1 654 . 2 1 1 A 53 53 LYS HA H 53 5.004 4.907 0.097 1
1 655 . 2 1 1 A 53 53 LYS C C 53 174.468 175.098 -0.630 1
1 664 . 2 1 1 A 54 54 PHE N N 54 120.200 128.518 -8.318 1
1 665 . 2 1 1 A 54 54 PHE CA C 54 56.583 56.545 0.038 1
1 666 . 2 1 1 A 54 54 PHE CB C 54 42.110 42.728 -0.618 1
1 667 . 2 1 1 A 54 54 PHE C C 54 173.801 173.894 -0.093 1
1 668 . 2 1 1 A 54 54 PHE H H 54 8.490 8.267 0.223 1
1 669 . 2 1 1 A 54 54 PHE HA H 54 4.680 5.202 -0.522 1
1 672 . 2 1 1 A 55 55 GLU N N 55 117.600 125.927 -8.327 1
1 673 . 2 1 1 A 55 55 GLU CA C 55 53.537 54.999 -1.462 1
1 674 . 2 1 1 A 55 55 GLU CB C 55 33.241 33.034 0.207 1
1 676 . 2 1 1 A 55 55 GLU C C 55 176.694 175.114 1.580 1
1 677 . 2 1 1 A 55 55 GLU H H 55 8.309 7.500 0.809 1
1 678 . 2 1 1 A 55 55 GLU HA H 55 5.690 4.632 1.058 1
1 683 . 2 1 1 A 56 56 THR N N 56 111.700 117.947 -6.247 1
1 684 . 2 1 1 A 56 56 THR CA C 56 60.989 61.375 -0.386 1
1 685 . 2 1 1 A 56 56 THR CB C 56 71.860 69.806 2.054 1
1 687 . 2 1 1 A 56 56 THR C C 56 174.385 174.191 0.194 1
1 688 . 2 1 1 A 56 56 THR H H 56 8.775 8.210 0.565 1
1 689 . 2 1 1 A 56 56 THR HA H 56 4.838 4.207 0.631 1
1 692 . 2 1 1 A 57 57 LYS N N 57 119.500 122.669 -3.169 1
1 693 . 2 1 1 A 57 57 LYS CA C 57 56.775 56.290 0.485 1
1 694 . 2 1 1 A 57 57 LYS CB C 57 32.743 32.786 -0.043 1
1 698 . 2 1 1 A 57 57 LYS H H 57 9.787 7.563 2.224 1
1 699 . 2 1 1 A 57 57 LYS HA H 57 4.151 4.051 0.100 1
1 700 . 2 1 1 A 57 57 LYS C C 57 177.417 175.945 1.472 1
1 709 . 2 1 1 A 58 58 VAL N N 58 123.100 124.598 -1.498 1
1 710 . 2 1 1 A 58 58 VAL CA C 58 61.870 62.353 -0.483 1
1 711 . 2 1 1 A 58 58 VAL CB C 58 32.081 32.547 -0.466 1
1 714 . 2 1 1 A 58 58 VAL C C 58 176.850 174.299 2.551 1
1 715 . 2 1 1 A 58 58 VAL H H 58 8.120 8.112 0.008 1
1 716 . 2 1 1 A 58 58 VAL HA H 58 4.284 4.235 0.049 1
1 724 . 2 1 1 A 59 59 HIS N N 59 128.800 128.147 0.653 1
1 725 . 2 1 1 A 59 59 HIS CA C 59 54.311 54.968 -0.657 1
1 726 . 2 1 1 A 59 59 HIS CB C 59 30.426 28.738 1.688 1
1 727 . 2 1 1 A 59 59 HIS C C 59 172.101 174.920 -2.819 1
1 728 . 2 1 1 A 59 59 HIS H H 59 8.550 8.747 -0.197 1
1 729 . 2 1 1 A 59 59 HIS HA H 59 4.457 4.971 -0.514 1
1 732 . 2 1 1 A 60 60 ARG N N 60 118.700 123.593 -4.893 1
1 733 . 2 1 1 A 60 60 ARG CA C 60 55.702 56.388 -0.686 1
1 734 . 2 1 1 A 60 60 ARG CB C 60 30.713 30.245 0.468 1
1 737 . 2 1 1 A 60 60 ARG C C 60 176.252 176.032 0.220 1
1 738 . 2 1 1 A 60 60 ARG H H 60 8.211 8.582 -0.371 1
1 739 . 2 1 1 A 60 60 ARG HA H 60 4.389 4.705 -0.316 1
1 746 . 2 1 1 A 61 61 LYS N N 61 122.500 117.972 4.528 1
1 747 . 2 1 1 A 61 61 LYS CA C 61 55.977 57.142 -1.165 1
1 748 . 2 1 1 A 61 61 LYS CB C 61 29.711 29.496 0.215 1
1 752 . 2 1 1 A 61 61 LYS H H 61 9.608 9.147 0.461 1
1 753 . 2 1 1 A 61 61 LYS HA H 61 3.946 3.848 0.098 1
1 754 . 2 1 1 A 61 61 LYS C C 61 175.083 174.897 0.186 1
1 763 . 2 1 1 A 62 62 THR N N 62 113.400 108.954 4.446 1
1 764 . 2 1 1 A 62 62 THR CA C 62 59.755 60.245 -0.490 1
1 765 . 2 1 1 A 62 62 THR CB C 62 63.417 71.793 -8.376 1
1 767 . 2 1 1 A 62 62 THR C C 62 170.120 174.143 -4.023 1
1 768 . 2 1 1 A 62 62 THR H H 62 8.470 7.552 0.918 1
1 769 . 2 1 1 A 62 62 THR HA H 62 4.703 4.902 -0.199 1
1 772 . 2 1 1 A 63 63 LEU N N 63 123.100 123.968 -0.868 1
1 773 . 2 1 1 A 63 63 LEU CA C 63 52.833 54.726 -1.893 1
1 774 . 2 1 1 A 63 63 LEU CB C 63 40.311 41.915 -1.604 1
1 778 . 2 1 1 A 63 63 LEU C C 63 175.135 176.549 -1.414 1
1 779 . 2 1 1 A 63 63 LEU H H 63 8.257 8.668 -0.411 1
1 780 . 2 1 1 A 63 63 LEU HA H 63 4.483 4.491 -0.008 1
1 790 . 2 1 1 A 64 64 ASN N N 64 114.829 117.739 -2.910 1
1 792 . 2 1 1 A 64 64 ASN CA C 64 50.610 50.509 0.101 1
1 793 . 2 1 1 A 64 64 ASN CB C 64 40.550 38.906 1.644 1
1 794 . 2 1 1 A 64 64 ASN C C 64 171.500 172.934 -1.434 1
1 795 . 2 1 1 A 64 64 ASN H H 64 8.306 8.110 0.196 1
1 796 . 2 1 1 A 64 64 ASN HA H 64 5.450 5.178 0.272 1
1 801 . 2 1 1 A 65 65 PRO CA C 65 61.914 62.246 -0.332 1
1 802 . 2 1 1 A 65 65 PRO CB C 65 30.780 32.340 -1.560 1
1 805 . 2 1 1 A 65 65 PRO C C 65 173.852 176.211 -2.359 1
1 806 . 2 1 1 A 65 65 PRO HA H 65 3.970 4.758 -0.788 1
1 813 . 2 1 1 A 66 66 VAL N N 66 121.000 117.441 3.559 1
1 814 . 2 1 1 A 66 66 VAL CA C 66 61.782 60.325 1.457 1
1 815 . 2 1 1 A 66 66 VAL CB C 66 32.721 33.574 -0.853 1
1 818 . 2 1 1 A 66 66 VAL C C 66 175.152 175.851 -0.699 1
1 819 . 2 1 1 A 66 66 VAL H H 66 7.926 8.171 -0.245 1
1 820 . 2 1 1 A 66 66 VAL HA H 66 3.807 4.831 -1.024 1
1 828 . 2 1 1 A 67 67 PHE N N 67 123.400 127.363 -3.963 1
1 829 . 2 1 1 A 67 67 PHE CA C 67 59.262 60.535 -1.273 1
1 830 . 2 1 1 A 67 67 PHE CB C 67 39.849 40.181 -0.332 1
1 831 . 2 1 1 A 67 67 PHE C C 67 175.748 175.538 0.210 1
1 832 . 2 1 1 A 67 67 PHE H H 67 8.150 9.077 -0.927 1
1 833 . 2 1 1 A 67 67 PHE HA H 67 4.378 4.534 -0.156 1
1 836 . 2 1 1 A 68 68 ASN N N 68 117.500 117.066 0.434 1
1 837 . 2 1 1 A 68 68 ASN CA C 68 53.983 54.117 -0.134 1
1 838 . 2 1 1 A 68 68 ASN CB C 68 37.351 37.033 0.318 1
1 839 . 2 1 1 A 68 68 ASN C C 68 173.314 175.112 -1.798 1
1 840 . 2 1 1 A 68 68 ASN H H 68 8.920 8.877 0.043 1
1 841 . 2 1 1 A 68 68 ASN HA H 68 4.350 4.534 -0.184 1
1 847 . 2 1 1 A 69 69 GLU N N 69 116.000 122.061 -6.061 1
1 848 . 2 1 1 A 69 69 GLU CA C 69 55.742 55.158 0.584 1
1 849 . 2 1 1 A 69 69 GLU CB C 69 34.663 32.465 2.198 1
1 851 . 2 1 1 A 69 69 GLU C C 69 174.165 175.435 -1.270 1
1 852 . 2 1 1 A 69 69 GLU H H 69 7.931 8.173 -0.242 1
1 853 . 2 1 1 A 69 69 GLU HA H 69 4.638 5.269 -0.631 1
1 858 . 2 1 1 A 70 70 GLN N N 70 121.500 127.989 -6.489 1
1 860 . 2 1 1 A 70 70 GLN CA C 70 53.807 55.324 -1.517 1
1 861 . 2 1 1 A 70 70 GLN CB C 70 31.750 29.038 2.712 1
1 863 . 2 1 1 A 70 70 GLN C C 70 173.068 174.691 -1.623 1
1 864 . 2 1 1 A 70 70 GLN H H 70 8.174 8.746 -0.572 1
1 865 . 2 1 1 A 70 70 GLN HA H 70 4.985 4.633 0.352 1
1 872 . 2 1 1 A 71 71 PHE N N 71 124.300 128.810 -4.510 1
1 873 . 2 1 1 A 71 71 PHE CA C 71 55.249 56.105 -0.856 1
1 874 . 2 1 1 A 71 71 PHE CB C 71 42.133 39.367 2.766 1
1 875 . 2 1 1 A 71 71 PHE C C 71 173.570 174.115 -0.545 1
1 876 . 2 1 1 A 71 71 PHE H H 71 9.040 9.532 -0.492 1
1 877 . 2 1 1 A 71 71 PHE HA H 71 4.528 3.999 0.529 1
1 880 . 2 1 1 A 72 72 THR N N 72 114.000 122.810 -8.810 1
1 881 . 2 1 1 A 72 72 THR CA C 72 59.491 63.684 -4.193 1
1 882 . 2 1 1 A 72 72 THR CB C 72 70.623 68.733 1.890 1
1 884 . 2 1 1 A 72 72 THR C C 72 172.834 173.279 -0.445 1
1 885 . 2 1 1 A 72 72 THR H H 72 7.763 8.199 -0.436 1
1 886 . 2 1 1 A 72 72 THR HA H 72 5.212 4.040 1.172 1
1 889 . 2 1 1 A 73 73 PHE N N 73 120.900 127.074 -6.174 1
1 890 . 2 1 1 A 73 73 PHE CA C 73 56.071 55.749 0.322 1
1 891 . 2 1 1 A 73 73 PHE CB C 73 41.570 39.662 1.908 1
1 892 . 2 1 1 A 73 73 PHE C C 73 174.890 174.277 0.613 1
1 893 . 2 1 1 A 73 73 PHE H H 73 8.983 8.879 0.104 1
1 894 . 2 1 1 A 73 73 PHE HA H 73 4.750 4.660 0.090 1
1 897 . 2 1 1 A 74 74 LYS N N 74 127.500 122.362 5.138 1
1 898 . 2 1 1 A 74 74 LYS CA C 74 56.186 56.284 -0.098 1
1 899 . 2 1 1 A 74 74 LYS CB C 74 30.577 31.399 -0.822 1
1 903 . 2 1 1 A 74 74 LYS C C 74 174.575 175.754 -1.179 1
1 904 . 2 1 1 A 74 74 LYS H H 74 9.063 8.223 0.840 1
1 905 . 2 1 1 A 74 74 LYS HA H 74 4.690 4.477 0.213 1
1 914 . 2 1 1 A 75 75 VAL N N 75 126.600 123.912 2.688 1
1 915 . 2 1 1 A 75 75 VAL CA C 75 57.737 59.208 -1.471 1
1 916 . 2 1 1 A 75 75 VAL CB C 75 35.160 35.585 -0.425 1
1 919 . 2 1 1 A 75 75 VAL C C 75 171.500 173.667 -2.167 1
1 920 . 2 1 1 A 75 75 VAL H H 75 7.546 8.165 -0.619 1
1 921 . 2 1 1 A 75 75 VAL HA H 75 4.650 4.613 0.037 1
1 929 . 2 1 1 A 76 76 PRO CA C 76 62.476 62.671 -0.195 1
1 930 . 2 1 1 A 76 76 PRO CB C 76 32.143 32.593 -0.450 1
1 933 . 2 1 1 A 76 76 PRO C C 76 176.991 177.088 -0.097 1
1 934 . 2 1 1 A 76 76 PRO HA H 76 4.329 4.585 -0.256 1
1 941 . 2 1 1 A 77 77 TYR N N 77 128.500 125.215 3.285 1
1 942 . 2 1 1 A 77 77 TYR CA C 77 61.772 60.316 1.456 1
1 943 . 2 1 1 A 77 77 TYR CB C 77 37.898 36.983 0.915 1
1 944 . 2 1 1 A 77 77 TYR C C 77 177.516 177.141 0.375 1
1 945 . 2 1 1 A 77 77 TYR H H 77 8.626 9.230 -0.604 1
1 946 . 2 1 1 A 77 77 TYR HA H 77 3.403 3.738 -0.335 1
1 950 . 2 1 1 A 78 78 SER N N 78 110.600 116.336 -5.736 1
1 951 . 2 1 1 A 78 78 SER H H 78 8.509 7.385 1.124 1
1 952 . 2 1 1 A 78 78 SER CA C 78 60.064 61.734 -1.670 1
1 953 . 2 1 1 A 78 78 SER CB C 78 62.022 62.587 -0.565 1
1 954 . 2 1 1 A 78 78 SER C C 78 175.292 175.594 -0.302 1
1 955 . 2 1 1 A 78 78 SER HA H 78 3.940 3.936 0.004 1
1 958 . 2 1 1 A 79 79 GLU N N 79 119.000 120.988 -1.988 1
1 959 . 2 1 1 A 79 79 GLU CA C 79 55.273 56.386 -1.113 1
1 960 . 2 1 1 A 79 79 GLU CB C 79 30.302 30.012 0.290 1
1 962 . 2 1 1 A 79 79 GLU C C 79 177.218 179.037 -1.819 1
1 963 . 2 1 1 A 79 79 GLU H H 79 7.411 7.435 -0.024 1
1 964 . 2 1 1 A 79 79 GLU HA H 79 4.280 4.208 0.072 1
1 969 . 2 1 1 A 80 80 LEU N N 80 121.600 122.127 -0.527 1
1 970 . 2 1 1 A 80 80 LEU CA C 80 57.376 57.778 -0.402 1
1 971 . 2 1 1 A 80 80 LEU CB C 80 41.916 41.423 0.493 1
1 975 . 2 1 1 A 80 80 LEU C C 80 177.098 178.283 -1.185 1
1 976 . 2 1 1 A 80 80 LEU H H 80 7.311 8.107 -0.796 1
1 977 . 2 1 1 A 80 80 LEU HA H 80 3.643 3.987 -0.344 1
1 987 . 2 1 1 A 81 81 GLY N N 81 102.900 106.547 -3.647 1
1 988 . 2 1 1 A 81 81 GLY CA C 81 46.638 47.371 -0.733 1
1 989 . 2 1 1 A 81 81 GLY C C 81 174.240 176.508 -2.268 1
1 990 . 2 1 1 A 81 81 GLY H H 81 7.860 8.147 -0.287 1
1 991 . 2 1 1 A 81 81 GLY HA3 H 81 3.744 3.710 0.034 1
1 992 . 2 1 1 A 81 81 GLY HA2 H 81 3.434 3.695 -0.261 1
1 993 . 2 1 1 A 82 82 GLY N N 82 105.900 108.540 -2.640 1
1 994 . 2 1 1 A 82 82 GLY CA C 82 44.289 46.240 -1.951 1
1 995 . 2 1 1 A 82 82 GLY C C 82 174.591 174.485 0.106 1
1 996 . 2 1 1 A 82 82 GLY H H 82 7.396 8.146 -0.750 1
1 997 . 2 1 1 A 82 82 GLY HA3 H 82 4.267 3.971 0.296 1
1 998 . 2 1 1 A 82 82 GLY HA2 H 82 3.760 3.966 -0.206 1
1 999 . 2 1 1 A 83 83 LYS N N 83 119.000 120.030 -1.030 1
1 1000 . 2 1 1 A 83 83 LYS CA C 83 53.818 55.138 -1.320 1
1 1001 . 2 1 1 A 83 83 LYS CB C 83 33.814 33.961 -0.147 1
1 1005 . 2 1 1 A 83 83 LYS H H 83 7.888 7.857 0.031 1
1 1006 . 2 1 1 A 83 83 LYS HA H 83 4.366 4.669 -0.303 1
1 1007 . 2 1 1 A 83 83 LYS C C 83 176.518 175.878 0.640 1
1 1015 . 2 1 1 A 84 84 THR N N 84 118.500 113.980 4.520 1
1 1016 . 2 1 1 A 84 84 THR CA C 84 61.914 60.700 1.214 1
1 1017 . 2 1 1 A 84 84 THR CB C 84 71.340 71.172 0.168 1
1 1019 . 2 1 1 A 84 84 THR C C 84 171.750 173.238 -1.488 1
1 1020 . 2 1 1 A 84 84 THR H H 84 8.248 8.982 -0.734 1
1 1021 . 2 1 1 A 84 84 THR HA H 84 4.638 5.349 -0.711 1
1 1024 . 2 1 1 A 85 85 LEU N N 85 130.500 125.610 4.890 1
1 1025 . 2 1 1 A 85 85 LEU CA C 85 53.982 54.002 -0.020 1
1 1026 . 2 1 1 A 85 85 LEU CB C 85 43.826 44.184 -0.358 1
1 1030 . 2 1 1 A 85 85 LEU C C 85 173.417 175.871 -2.454 1
1 1031 . 2 1 1 A 85 85 LEU H H 85 8.430 8.597 -0.167 1
1 1032 . 2 1 1 A 85 85 LEU HA H 85 4.417 4.994 -0.577 1
1 1042 . 2 1 1 A 86 86 VAL N N 86 127.723 120.945 6.778 1
1 1043 . 2 1 1 A 86 86 VAL CA C 86 61.206 59.745 1.461 1
1 1044 . 2 1 1 A 86 86 VAL CB C 86 31.856 34.403 -2.547 1
1 1047 . 2 1 1 A 86 86 VAL C C 86 173.599 174.076 -0.477 1
1 1048 . 2 1 1 A 86 86 VAL H H 86 8.771 9.115 -0.344 1
1 1049 . 2 1 1 A 86 86 VAL HA H 86 4.151 4.797 -0.646 1
1 1057 . 2 1 1 A 87 87 MET N N 87 122.600 125.118 -2.518 1
1 1058 . 2 1 1 A 87 87 MET CA C 87 53.654 54.262 -0.608 1
1 1059 . 2 1 1 A 87 87 MET CB C 87 31.288 36.195 -4.907 1
1 1061 . 2 1 1 A 87 87 MET C C 87 172.749 174.606 -1.857 1
1 1062 . 2 1 1 A 87 87 MET H H 87 7.503 9.123 -1.620 1
1 1063 . 2 1 1 A 87 87 MET HA H 87 4.706 5.105 -0.399 1
1 1068 . 2 1 1 A 88 88 ALA N N 88 124.200 126.438 -2.238 1
1 1069 . 2 1 1 A 88 88 ALA CA C 88 50.017 50.877 -0.860 1
1 1070 . 2 1 1 A 88 88 ALA CB C 88 23.107 21.495 1.612 1
1 1071 . 2 1 1 A 88 88 ALA C C 88 174.558 175.542 -0.984 1
1 1072 . 2 1 1 A 88 88 ALA H H 88 8.755 8.811 -0.056 1
1 1073 . 2 1 1 A 88 88 ALA HA H 88 4.948 5.141 -0.193 1
1 1077 . 2 1 1 A 89 89 VAL N N 89 122.900 126.037 -3.137 1
1 1078 . 2 1 1 A 89 89 VAL CA C 89 60.881 62.474 -1.593 1
1 1079 . 2 1 1 A 89 89 VAL CB C 89 31.541 32.171 -0.630 1
1 1082 . 2 1 1 A 89 89 VAL C C 89 173.707 174.162 -0.455 1
1 1083 . 2 1 1 A 89 89 VAL H H 89 8.813 8.556 0.257 1
1 1084 . 2 1 1 A 89 89 VAL HA H 89 4.652 4.643 0.009 1
1 1092 . 2 1 1 A 90 90 TYR N N 90 128.400 130.591 -2.191 1
1 1093 . 2 1 1 A 90 90 TYR CA C 90 56.230 55.951 0.279 1
1 1094 . 2 1 1 A 90 90 TYR CB C 90 43.211 41.510 1.701 1
1 1095 . 2 1 1 A 90 90 TYR C C 90 173.024 173.464 -0.440 1
1 1096 . 2 1 1 A 90 90 TYR H H 90 9.067 9.606 -0.539 1
1 1097 . 2 1 1 A 90 90 TYR HA H 90 4.766 5.225 -0.459 1
1 1101 . 2 1 1 A 91 91 ASP N N 91 116.300 129.331 -13.031 1
1 1102 . 2 1 1 A 91 91 ASP CA C 91 51.800 52.638 -0.838 1
1 1103 . 2 1 1 A 91 91 ASP CB C 91 42.265 42.861 -0.596 1
1 1104 . 2 1 1 A 91 91 ASP C C 91 175.823 175.154 0.669 1
1 1105 . 2 1 1 A 91 91 ASP H H 91 8.700 8.587 0.113 1
1 1106 . 2 1 1 A 91 91 ASP HA H 91 5.098 5.151 -0.053 1
1 1109 . 2 1 1 A 92 92 PHE N N 92 128.100 127.914 0.186 1
1 1110 . 2 1 1 A 92 92 PHE CA C 92 58.830 56.344 2.486 1
1 1111 . 2 1 1 A 92 92 PHE CB C 92 31.850 38.848 -6.998 1
1 1112 . 2 1 1 A 92 92 PHE C C 92 173.437 175.366 -1.929 1
1 1113 . 2 1 1 A 92 92 PHE H H 92 9.540 8.797 0.743 1
1 1114 . 2 1 1 A 92 92 PHE HA H 92 4.480 4.410 0.070 1
1 1117 . 2 1 1 A 93 93 ASP N N 93 122.100 125.673 -3.573 1
1 1118 . 2 1 1 A 93 93 ASP CA C 93 53.701 52.947 0.754 1
1 1119 . 2 1 1 A 93 93 ASP CB C 93 41.736 40.267 1.469 1
1 1120 . 2 1 1 A 93 93 ASP C C 93 175.548 175.843 -0.295 1
1 1121 . 2 1 1 A 93 93 ASP H H 93 7.812 7.842 -0.030 1
1 1122 . 2 1 1 A 93 93 ASP HA H 93 4.480 4.608 -0.128 1
1 1125 . 2 1 1 A 94 94 ARG N N 94 121.500 113.592 7.908 1
1 1126 . 2 1 1 A 94 94 ARG CA C 94 56.142 57.008 -0.866 1
1 1127 . 2 1 1 A 94 94 ARG CB C 94 30.173 27.696 2.477 1
1 1129 . 2 1 1 A 94 94 ARG C C 94 175.795 175.182 0.613 1
1 1130 . 2 1 1 A 94 94 ARG H H 94 8.264 7.057 1.207 1
1 1131 . 2 1 1 A 94 94 ARG HA H 94 4.000 3.002 0.998 1
1 1138 . 2 1 1 A 95 95 PHE N N 95 118.600 118.381 0.219 1
1 1139 . 2 1 1 A 95 95 PHE CA C 95 59.850 59.175 0.675 1
1 1140 . 2 1 1 A 95 95 PHE CB C 95 38.955 40.439 -1.484 1
1 1141 . 2 1 1 A 95 95 PHE C C 95 172.969 175.015 -2.046 1
1 1142 . 2 1 1 A 95 95 PHE H H 95 6.889 7.444 -0.555 1
1 1143 . 2 1 1 A 95 95 PHE HA H 95 4.373 4.845 -0.472 1
1 1146 . 2 1 1 A 96 96 SER N N 96 114.200 111.548 2.652 1
1 1147 . 2 1 1 A 96 96 SER H H 96 8.027 7.927 0.100 1
1 1148 . 2 1 1 A 96 96 SER CA C 96 57.596 57.849 -0.253 1
1 1149 . 2 1 1 A 96 96 SER CB C 96 63.494 65.420 -1.926 1
1 1150 . 2 1 1 A 96 96 SER C C 96 174.149 173.873 0.276 1
1 1151 . 2 1 1 A 96 96 SER HA H 96 4.220 4.411 -0.191 1
1 1154 . 2 1 1 A 97 97 LYS N N 97 121.600 120.532 1.068 1
1 1155 . 2 1 1 A 97 97 LYS CA C 97 58.206 55.854 2.352 1
1 1156 . 2 1 1 A 97 97 LYS CB C 97 31.860 32.963 -1.103 1
1 1159 . 2 1 1 A 97 97 LYS H H 97 8.264 8.503 -0.239 1
1 1160 . 2 1 1 A 97 97 LYS HA H 97 4.202 4.130 0.072 1
1 1161 . 2 1 1 A 97 97 LYS C C 97 175.599 176.349 -0.750 1
1 1170 . 2 1 1 A 98 98 HIS N N 98 119.000 123.273 -4.273 1
1 1171 . 2 1 1 A 98 98 HIS CA C 98 54.159 56.765 -2.606 1
1 1172 . 2 1 1 A 98 98 HIS CB C 98 30.040 29.821 0.219 1
1 1173 . 2 1 1 A 98 98 HIS C C 98 174.050 174.416 -0.366 1
1 1174 . 2 1 1 A 98 98 HIS H H 98 8.350 7.938 0.412 1
1 1175 . 2 1 1 A 98 98 HIS HA H 98 4.784 5.249 -0.465 1
1 1178 . 2 1 1 A 99 99 ASP N N 99 122.600 125.402 -2.802 1
1 1179 . 2 1 1 A 99 99 ASP CA C 99 53.806 53.472 0.334 1
1 1180 . 2 1 1 A 99 99 ASP CB C 99 41.074 41.880 -0.806 1
1 1181 . 2 1 1 A 99 99 ASP C C 99 174.346 175.798 -1.452 1
1 1182 . 2 1 1 A 99 99 ASP H H 99 8.812 8.881 -0.069 1
1 1183 . 2 1 1 A 99 99 ASP HA H 99 4.781 4.793 -0.012 1
1 1186 . 2 1 1 A 100 100 ILE N N 100 122.400 126.511 -4.111 1
1 1187 . 2 1 1 A 100 100 ILE CA C 100 60.989 62.364 -1.375 1
1 1188 . 2 1 1 A 100 100 ILE CB C 100 38.823 37.689 1.134 1
1 1192 . 2 1 1 A 100 100 ILE C C 100 174.431 177.933 -3.502 1
1 1193 . 2 1 1 A 100 100 ILE H H 100 8.075 8.786 -0.711 1
1 1194 . 2 1 1 A 100 100 ILE HA H 100 3.405 4.032 -0.627 1
1 1204 . 2 1 1 A 101 101 ILE N N 101 127.400 123.909 3.491 1
1 1205 . 2 1 1 A 101 101 ILE CA C 101 63.380 63.238 0.142 1
1 1206 . 2 1 1 A 101 101 ILE CB C 101 38.058 38.190 -0.132 1
1 1210 . 2 1 1 A 101 101 ILE C C 101 175.859 176.123 -0.264 1
1 1211 . 2 1 1 A 101 101 ILE H H 101 9.219 8.423 0.796 1
1 1212 . 2 1 1 A 101 101 ILE HA H 101 3.869 4.023 -0.154 1
1 1219 . 2 1 1 A 102 102 GLY N N 102 101.500 109.402 -7.902 1
1 1220 . 2 1 1 A 102 102 GLY CA C 102 45.259 46.004 -0.745 1
1 1221 . 2 1 1 A 102 102 GLY C C 102 169.614 171.109 -1.495 1
1 1222 . 2 1 1 A 102 102 GLY H H 102 7.241 7.037 0.204 1
1 1223 . 2 1 1 A 102 102 GLY HA3 H 102 4.024 4.097 -0.073 1
1 1224 . 2 1 1 A 102 102 GLY HA2 H 102 3.811 4.097 -0.286 1
1 1225 . 2 1 1 A 103 103 GLU N N 103 117.100 117.131 -0.031 1
1 1226 . 2 1 1 A 103 103 GLU CA C 103 54.229 55.144 -0.915 1
1 1227 . 2 1 1 A 103 103 GLU CB C 103 34.012 33.280 0.732 1
1 1229 . 2 1 1 A 103 103 GLU C C 103 173.993 174.476 -0.483 1
1 1230 . 2 1 1 A 103 103 GLU H H 103 9.499 9.397 0.102 1
1 1231 . 2 1 1 A 103 103 GLU HA H 103 5.513 5.280 0.233 1
1 1236 . 2 1 1 A 104 104 PHE N N 104 115.900 117.200 -1.300 1
1 1237 . 2 1 1 A 104 104 PHE CA C 104 58.037 56.282 1.755 1
1 1238 . 2 1 1 A 104 104 PHE CB C 104 41.030 42.995 -1.965 1
1 1239 . 2 1 1 A 104 104 PHE C C 104 171.749 173.208 -1.459 1
1 1240 . 2 1 1 A 104 104 PHE H H 104 8.525 9.080 -0.555 1
1 1241 . 2 1 1 A 104 104 PHE HA H 104 4.731 5.660 -0.929 1
1 1244 . 2 1 1 A 105 105 LYS N N 105 118.900 120.625 -1.725 1
1 1245 . 2 1 1 A 105 105 LYS CA C 105 53.771 54.194 -0.423 1
1 1246 . 2 1 1 A 105 105 LYS CB C 105 34.953 36.113 -1.160 1
1 1250 . 2 1 1 A 105 105 LYS H H 105 7.805 8.951 -1.146 1
1 1251 . 2 1 1 A 105 105 LYS HA H 105 5.188 4.823 0.365 1
1 1252 . 2 1 1 A 105 105 LYS C C 105 175.389 174.452 0.937 1
1 1261 . 2 1 1 A 106 106 VAL N N 106 121.400 120.228 1.172 1
1 1262 . 2 1 1 A 106 106 VAL CA C 106 58.522 58.529 -0.007 1
1 1263 . 2 1 1 A 106 106 VAL CB C 106 34.050 35.063 -1.013 1
1 1266 . 2 1 1 A 106 106 VAL C C 106 173.300 173.443 -0.143 1
1 1267 . 2 1 1 A 106 106 VAL H H 106 9.276 8.224 1.052 1
1 1268 . 2 1 1 A 106 106 VAL HA H 106 4.430 4.706 -0.276 1
1 1276 . 2 1 1 A 107 107 PRO CA C 107 62.265 63.110 -0.845 1
1 1277 . 2 1 1 A 107 107 PRO CB C 107 31.157 32.166 -1.009 1
1 1280 . 2 1 1 A 107 107 PRO C C 107 178.967 178.148 0.819 1
1 1281 . 2 1 1 A 107 107 PRO HA H 107 4.703 4.556 0.147 1
1 1288 . 2 1 1 A 108 108 MET N N 108 126.300 123.859 2.441 1
1 1289 . 2 1 1 A 108 108 MET CA C 108 56.728 57.674 -0.946 1
1 1290 . 2 1 1 A 108 108 MET CB C 108 32.909 32.294 0.615 1
1 1292 . 2 1 1 A 108 108 MET C C 108 176.858 178.294 -1.436 1
1 1293 . 2 1 1 A 108 108 MET H H 108 8.716 8.446 0.270 1
1 1294 . 2 1 1 A 108 108 MET HA H 108 4.483 4.300 0.183 1
1 1299 . 2 1 1 A 109 109 ASN N N 109 115.600 119.125 -3.525 1
1 1300 . 2 1 1 A 109 109 ASN CA C 109 53.983 55.828 -1.845 1
1 1301 . 2 1 1 A 109 109 ASN CB C 109 36.227 39.439 -3.212 1
1 1302 . 2 1 1 A 109 109 ASN C C 109 175.789 176.945 -1.156 1
1 1303 . 2 1 1 A 109 109 ASN H H 109 8.342 7.954 0.388 1
1 1304 . 2 1 1 A 109 109 ASN HA H 109 4.564 4.520 0.044 1
1 1310 . 2 1 1 A 110 110 THR N N 110 107.600 111.423 -3.823 1
1 1311 . 2 1 1 A 110 110 THR CA C 110 61.115 63.227 -2.112 1
1 1312 . 2 1 1 A 110 110 THR CB C 110 62.929 69.554 -6.625 1
1 1314 . 2 1 1 A 110 110 THR C C 110 173.508 174.992 -1.484 1
1 1315 . 2 1 1 A 110 110 THR H H 110 7.522 7.800 -0.278 1
1 1316 . 2 1 1 A 110 110 THR HA H 110 4.461 4.415 0.046 1
1 1319 . 2 1 1 A 111 111 VAL N N 111 123.700 120.635 3.065 1
1 1320 . 2 1 1 A 111 111 VAL CA C 111 61.782 62.303 -0.521 1
1 1321 . 2 1 1 A 111 111 VAL CB C 111 32.821 32.404 0.417 1
1 1324 . 2 1 1 A 111 111 VAL C C 111 173.903 174.942 -1.039 1
1 1325 . 2 1 1 A 111 111 VAL H H 111 6.960 7.155 -0.195 1
1 1326 . 2 1 1 A 111 111 VAL HA H 111 3.703 4.122 -0.419 1
1 1334 . 2 1 1 A 112 112 ASP N N 112 125.800 128.435 -2.635 1
1 1335 . 2 1 1 A 112 112 ASP CA C 112 51.777 53.494 -1.717 1
1 1336 . 2 1 1 A 112 112 ASP CB C 112 40.648 40.868 -0.220 1
1 1337 . 2 1 1 A 112 112 ASP C C 112 175.407 176.872 -1.465 1
1 1338 . 2 1 1 A 112 112 ASP H H 112 8.341 8.853 -0.512 1
1 1339 . 2 1 1 A 112 112 ASP HA H 112 4.719 4.769 -0.050 1
1 1342 . 2 1 1 A 113 113 PHE N N 113 122.700 123.373 -0.673 1
1 1343 . 2 1 1 A 113 113 PHE CA C 113 59.887 56.507 3.380 1
1 1344 . 2 1 1 A 113 113 PHE CB C 113 37.999 38.239 -0.240 1
1 1345 . 2 1 1 A 113 113 PHE C C 113 175.854 176.845 -0.991 1
1 1346 . 2 1 1 A 113 113 PHE H H 113 8.391 8.257 0.134 1
1 1347 . 2 1 1 A 113 113 PHE HA H 113 4.670 4.705 -0.035 1
1 1350 . 2 1 1 A 114 114 GLY N N 114 108.608 109.113 -0.505 1
1 1351 . 2 1 1 A 114 114 GLY CA C 114 45.657 46.734 -1.077 1
1 1352 . 2 1 1 A 114 114 GLY C C 114 172.963 175.192 -2.229 1
1 1353 . 2 1 1 A 114 114 GLY H H 114 8.953 8.147 0.806 1
1 1354 . 2 1 1 A 114 114 GLY HA3 H 114 4.018 3.650 0.368 1
1 1355 . 2 1 1 A 114 114 GLY HA2 H 114 3.912 3.575 0.337 1
1 1356 . 2 1 1 A 115 115 HIS N N 115 114.926 118.908 -3.982 1
1 1357 . 2 1 1 A 115 115 HIS CA C 115 53.533 56.014 -2.481 1
1 1358 . 2 1 1 A 115 115 HIS CB C 115 30.349 31.014 -0.665 1
1 1359 . 2 1 1 A 115 115 HIS C C 115 172.453 174.726 -2.273 1
1 1360 . 2 1 1 A 115 115 HIS H H 115 7.510 8.254 -0.744 1
1 1361 . 2 1 1 A 115 115 HIS HA H 115 4.868 4.858 0.010 1
1 1364 . 2 1 1 A 116 116 VAL N N 116 122.100 114.869 7.231 1
1 1365 . 2 1 1 A 116 116 VAL CA C 116 62.992 59.855 3.137 1
1 1366 . 2 1 1 A 116 116 VAL CB C 116 31.850 34.772 -2.922 1
1 1369 . 2 1 1 A 116 116 VAL C C 116 176.352 174.360 1.992 1
1 1370 . 2 1 1 A 116 116 VAL H H 116 8.460 8.289 0.171 1
1 1371 . 2 1 1 A 116 116 VAL HA H 116 4.268 4.782 -0.514 1
1 1379 . 2 1 1 A 117 117 THR N N 117 124.700 121.681 3.019 1
1 1380 . 2 1 1 A 117 117 THR CA C 117 61.694 62.250 -0.556 1
1 1381 . 2 1 1 A 117 117 THR CB C 117 70.001 68.498 1.503 1
1 1383 . 2 1 1 A 117 117 THR C C 117 172.762 173.943 -1.181 1
1 1384 . 2 1 1 A 117 117 THR H H 117 8.550 9.778 -1.228 1
1 1385 . 2 1 1 A 117 117 THR HA H 117 4.460 4.714 -0.254 1
1 1388 . 2 1 1 A 118 118 GLU N N 118 126.000 126.614 -0.614 1
1 1389 . 2 1 1 A 118 118 GLU CA C 118 55.038 55.349 -0.311 1
1 1390 . 2 1 1 A 118 118 GLU CB C 118 30.835 31.042 -0.207 1
1 1392 . 2 1 1 A 118 118 GLU C C 118 174.419 175.310 -0.891 1
1 1393 . 2 1 1 A 118 118 GLU H H 118 8.382 8.998 -0.616 1
1 1394 . 2 1 1 A 118 118 GLU HA H 118 4.776 5.060 -0.284 1
1 1399 . 2 1 1 A 119 119 GLU N N 119 123.000 121.028 1.972 1
1 1400 . 2 1 1 A 119 119 GLU CA C 119 54.292 54.875 -0.583 1
1 1401 . 2 1 1 A 119 119 GLU CB C 119 32.909 33.212 -0.303 1
1 1403 . 2 1 1 A 119 119 GLU C C 119 173.072 174.433 -1.361 1
1 1404 . 2 1 1 A 119 119 GLU H H 119 8.057 8.782 -0.725 1
1 1405 . 2 1 1 A 119 119 GLU HA H 119 4.631 4.555 0.076 1
1 1410 . 2 1 1 A 120 120 TRP N N 120 118.300 121.955 -3.655 1
1 1411 . 2 1 1 A 120 120 TRP C C 120 177.336 175.312 2.024 1
1 1412 . 2 1 1 A 120 120 TRP CA C 120 55.672 57.058 -1.386 1
1 1413 . 2 1 1 A 120 120 TRP CB C 120 31.259 29.444 1.815 1
1 1414 . 2 1 1 A 120 120 TRP H H 120 8.212 8.331 -0.119 1
1 1415 . 2 1 1 A 120 120 TRP HA H 120 5.322 4.814 0.508 1
1 1424 . 2 1 1 A 121 121 ARG N N 121 120.900 126.014 -5.114 1
1 1425 . 2 1 1 A 121 121 ARG CA C 121 53.631 53.674 -0.043 1
1 1426 . 2 1 1 A 121 121 ARG CB C 121 32.865 32.420 0.445 1
1 1429 . 2 1 1 A 121 121 ARG C C 121 174.321 175.308 -0.987 1
1 1430 . 2 1 1 A 121 121 ARG H H 121 9.012 8.267 0.745 1
1 1431 . 2 1 1 A 121 121 ARG HA H 121 4.488 4.813 -0.325 1
1 1438 . 2 1 1 A 122 122 ASP N N 122 121.600 123.857 -2.257 1
1 1439 . 2 1 1 A 122 122 ASP CA C 122 53.795 53.028 0.767 1
1 1440 . 2 1 1 A 122 122 ASP CB C 122 40.544 42.183 -1.639 1
1 1441 . 2 1 1 A 122 122 ASP C C 122 176.041 175.262 0.779 1
1 1442 . 2 1 1 A 122 122 ASP H H 122 8.226 8.797 -0.571 1
1 1443 . 2 1 1 A 122 122 ASP HA H 122 4.791 5.322 -0.531 1
1 1446 . 2 1 1 A 123 123 LEU N N 123 120.700 125.561 -4.861 1
1 1447 . 2 1 1 A 123 123 LEU CA C 123 54.997 54.211 0.786 1
1 1448 . 2 1 1 A 123 123 LEU CB C 123 41.765 42.003 -0.238 1
1 1452 . 2 1 1 A 123 123 LEU C C 123 175.964 176.638 -0.674 1
1 1453 . 2 1 1 A 123 123 LEU H H 123 8.436 8.796 -0.360 1
1 1454 . 2 1 1 A 123 123 LEU HA H 123 4.125 4.877 -0.752 1
1 1464 . 2 1 1 A 124 124 GLN N N 124 119.200 124.855 -5.655 1
1 1466 . 2 1 1 A 124 124 GLN CA C 124 53.278 54.913 -1.635 1
1 1467 . 2 1 1 A 124 124 GLN CB C 124 31.232 30.760 0.472 1
1 1469 . 2 1 1 A 124 124 GLN C C 124 175.183 175.592 -0.409 1
1 1470 . 2 1 1 A 124 124 GLN H H 124 9.020 8.612 0.408 1
1 1471 . 2 1 1 A 124 124 GLN HA H 124 4.738 4.983 -0.245 1
1 1478 . 2 1 1 A 125 125 SER N N 125 115.300 119.488 -4.188 1
1 1479 . 2 1 1 A 125 125 SER H H 125 8.543 8.620 -0.077 1
1 1480 . 2 1 1 A 125 125 SER CA C 125 58.477 59.851 -1.374 1
1 1481 . 2 1 1 A 125 125 SER CB C 125 63.274 63.034 0.240 1
1 1482 . 2 1 1 A 125 125 SER C C 125 174.609 174.273 0.336 1
1 1483 . 2 1 1 A 125 125 SER HA H 125 4.235 4.763 -0.528 1
1 1486 . 2 1 1 A 126 126 ALA N N 126 126.900 129.131 -2.231 1
1 1487 . 2 1 1 A 126 126 ALA CA C 126 51.636 50.244 1.392 1
1 1488 . 2 1 1 A 126 126 ALA CB C 126 19.845 20.986 -1.141 1
1 1489 . 2 1 1 A 126 126 ALA C C 126 176.876 176.557 0.319 1
1 1490 . 2 1 1 A 126 126 ALA H H 126 8.640 9.066 -0.426 1
1 1491 . 2 1 1 A 126 126 ALA HA H 126 4.216 5.187 -0.971 1
1 1495 . 2 1 1 A 127 127 GLU N N 127 120.600 122.753 -2.153 1
1 1496 . 2 1 1 A 127 127 GLU CA C 127 56.142 55.218 0.924 1
1 1497 . 2 1 1 A 127 127 GLU CB C 127 29.996 28.856 1.140 1
1 1499 . 2 1 1 A 127 127 GLU C C 127 175.129 175.121 0.008 1
1 1500 . 2 1 1 A 127 127 GLU H H 127 8.204 8.777 -0.573 1
1 1501 . 2 1 1 A 127 127 GLU HA H 127 4.176 4.599 -0.423 1
1 12 . 3 1 1 A 2 2 LYS N N 2 123.200 118.472 4.728 1
1 13 . 3 1 1 A 2 2 LYS CA C 2 55.550 55.385 0.165 1
1 14 . 3 1 1 A 2 2 LYS CB C 2 31.730 33.536 -1.806 1
1 18 . 3 1 1 A 2 2 LYS H H 2 8.320 8.749 -0.429 1
1 19 . 3 1 1 A 2 2 LYS C C 2 176.041 175.553 0.488 1
1 20 . 3 1 1 A 2 2 LYS HA H 2 4.413 4.923 -0.510 1
1 29 . 3 1 1 A 3 3 LEU N N 3 124.700 121.376 3.324 1
1 30 . 3 1 1 A 3 3 LEU CA C 3 53.800 54.941 -1.141 1
1 31 . 3 1 1 A 3 3 LEU CB C 3 43.351 42.277 1.074 1
1 35 . 3 1 1 A 3 3 LEU C C 3 173.289 176.354 -3.065 1
1 36 . 3 1 1 A 3 3 LEU H H 3 8.319 8.665 -0.346 1
1 37 . 3 1 1 A 3 3 LEU HA H 3 4.363 4.509 -0.146 1
1 47 . 3 1 1 A 4 4 GLY N N 4 102.100 108.036 -5.936 1
1 48 . 3 1 1 A 4 4 GLY CA C 4 44.232 44.012 0.220 1
1 49 . 3 1 1 A 4 4 GLY C C 4 174.476 172.909 1.567 1
1 50 . 3 1 1 A 4 4 GLY H H 4 7.412 7.703 -0.291 1
1 51 . 3 1 1 A 4 4 GLY HA3 H 4 4.367 4.039 0.328 1
1 52 . 3 1 1 A 4 4 GLY HA2 H 4 3.662 4.032 -0.370 1
1 53 . 3 1 1 A 5 5 LYS N N 5 114.993 120.818 -5.825 1
1 54 . 3 1 1 A 5 5 LYS CA C 5 54.807 54.434 0.373 1
1 55 . 3 1 1 A 5 5 LYS CB C 5 36.664 36.622 0.042 1
1 59 . 3 1 1 A 5 5 LYS C C 5 173.762 174.665 -0.903 1
1 60 . 3 1 1 A 5 5 LYS H H 5 8.748 8.267 0.481 1
1 61 . 3 1 1 A 5 5 LYS HA H 5 5.333 5.137 0.196 1
1 70 . 3 1 1 A 6 6 LEU N N 6 122.195 123.409 -1.214 1
1 71 . 3 1 1 A 6 6 LEU CA C 6 53.760 53.492 0.268 1
1 72 . 3 1 1 A 6 6 LEU CB C 6 47.948 45.427 2.521 1
1 76 . 3 1 1 A 6 6 LEU C C 6 172.524 175.212 -2.688 1
1 77 . 3 1 1 A 6 6 LEU H H 6 9.058 9.149 -0.091 1
1 78 . 3 1 1 A 6 6 LEU HA H 6 5.312 5.667 -0.355 1
1 88 . 3 1 1 A 7 7 GLN N N 7 127.800 125.505 2.295 1
1 90 . 3 1 1 A 7 7 GLN CA C 7 52.595 55.187 -2.592 1
1 91 . 3 1 1 A 7 7 GLN CB C 7 28.032 29.659 -1.627 1
1 93 . 3 1 1 A 7 7 GLN C C 7 173.707 175.060 -1.353 1
1 94 . 3 1 1 A 7 7 GLN H H 7 8.945 8.504 0.441 1
1 95 . 3 1 1 A 7 7 GLN HA H 7 5.170 4.956 0.214 1
1 102 . 3 1 1 A 8 8 TYR N N 8 125.700 119.787 5.913 1
1 103 . 3 1 1 A 8 8 TYR CA C 8 54.578 55.913 -1.335 1
1 104 . 3 1 1 A 8 8 TYR CB C 8 42.236 41.874 0.362 1
1 105 . 3 1 1 A 8 8 TYR C C 8 171.582 173.143 -1.561 1
1 106 . 3 1 1 A 8 8 TYR H H 8 8.445 8.727 -0.282 1
1 107 . 3 1 1 A 8 8 TYR HA H 8 5.401 5.589 -0.188 1
1 110 . 3 1 1 A 9 9 SER N N 9 113.300 114.555 -1.255 1
1 111 . 3 1 1 A 9 9 SER H H 9 9.486 9.211 0.275 1
1 112 . 3 1 1 A 9 9 SER CA C 9 55.195 56.629 -1.434 1
1 113 . 3 1 1 A 9 9 SER CB C 9 67.116 65.479 1.637 1
1 114 . 3 1 1 A 9 9 SER C C 9 173.486 173.537 -0.051 1
1 115 . 3 1 1 A 9 9 SER HA H 9 5.400 5.427 -0.027 1
1 118 . 3 1 1 A 10 10 LEU N N 10 120.700 126.897 -6.197 1
1 119 . 3 1 1 A 10 10 LEU CA C 10 53.388 53.246 0.142 1
1 120 . 3 1 1 A 10 10 LEU CB C 10 46.946 43.479 3.467 1
1 121 . 3 1 1 A 10 10 LEU C C 10 174.640 175.144 -0.504 1
1 125 . 3 1 1 A 10 10 LEU H H 10 8.698 8.892 -0.194 1
1 126 . 3 1 1 A 10 10 LEU HA H 10 5.471 5.699 -0.228 1
1 136 . 3 1 1 A 11 11 ASP N N 11 119.760 123.959 -4.199 1
1 137 . 3 1 1 A 11 11 ASP CA C 11 52.525 52.947 -0.422 1
1 138 . 3 1 1 A 11 11 ASP CB C 11 44.683 45.199 -0.516 1
1 139 . 3 1 1 A 11 11 ASP C C 11 173.093 174.311 -1.218 1
1 140 . 3 1 1 A 11 11 ASP H H 11 8.673 9.441 -0.768 1
1 141 . 3 1 1 A 11 11 ASP HA H 11 5.126 5.408 -0.282 1
1 144 . 3 1 1 A 12 12 TYR N N 12 124.200 117.273 6.927 1
1 145 . 3 1 1 A 12 12 TYR CA C 12 57.883 55.768 2.115 1
1 146 . 3 1 1 A 12 12 TYR CB C 12 40.054 41.610 -1.556 1
1 147 . 3 1 1 A 12 12 TYR C C 12 171.962 172.809 -0.847 1
1 148 . 3 1 1 A 12 12 TYR H H 12 8.898 9.212 -0.314 1
1 149 . 3 1 1 A 12 12 TYR HA H 12 4.609 5.509 -0.900 1
1 154 . 3 1 1 A 13 13 ASP N N 13 126.400 125.437 0.963 1
1 155 . 3 1 1 A 13 13 ASP CA C 13 51.141 52.887 -1.746 1
1 156 . 3 1 1 A 13 13 ASP CB C 13 40.891 40.507 0.384 1
1 157 . 3 1 1 A 13 13 ASP C C 13 175.599 176.488 -0.889 1
1 158 . 3 1 1 A 13 13 ASP H H 13 8.018 8.733 -0.715 1
1 159 . 3 1 1 A 13 13 ASP HA H 13 4.591 4.638 -0.047 1
1 162 . 3 1 1 A 14 14 PHE N N 14 123.575 123.457 0.118 1
1 163 . 3 1 1 A 14 14 PHE CA C 14 60.734 58.504 2.230 1
1 164 . 3 1 1 A 14 14 PHE CB C 14 38.821 38.830 -0.009 1
1 165 . 3 1 1 A 14 14 PHE C C 14 176.704 176.113 0.591 1
1 166 . 3 1 1 A 14 14 PHE H H 14 8.540 7.972 0.568 1
1 167 . 3 1 1 A 14 14 PHE HA H 14 4.187 4.627 -0.440 1
1 170 . 3 1 1 A 15 15 GLN N N 15 118.500 117.130 1.370 1
1 172 . 3 1 1 A 15 15 GLN CA C 15 57.927 55.670 2.257 1
1 173 . 3 1 1 A 15 15 GLN CB C 15 28.129 27.507 0.622 1
1 175 . 3 1 1 A 15 15 GLN C C 15 176.646 176.598 0.048 1
1 176 . 3 1 1 A 15 15 GLN H H 15 8.307 7.651 0.656 1
1 177 . 3 1 1 A 15 15 GLN HA H 15 4.150 4.140 0.010 1
1 184 . 3 1 1 A 16 16 ASN N N 16 113.392 116.724 -3.332 1
1 185 . 3 1 1 A 16 16 ASN CA C 16 52.051 51.855 0.196 1
1 186 . 3 1 1 A 16 16 ASN CB C 16 39.238 37.754 1.484 1
1 187 . 3 1 1 A 16 16 ASN C C 16 173.191 174.956 -1.765 1
1 188 . 3 1 1 A 16 16 ASN H H 16 7.347 7.716 -0.369 1
1 189 . 3 1 1 A 16 16 ASN HA H 16 4.682 4.675 0.007 1
1 195 . 3 1 1 A 17 17 ASN N N 17 118.200 115.617 2.583 1
1 196 . 3 1 1 A 17 17 ASN CA C 17 54.524 54.617 -0.093 1
1 197 . 3 1 1 A 17 17 ASN CB C 17 36.825 36.944 -0.119 1
1 198 . 3 1 1 A 17 17 ASN C C 17 175.797 173.649 2.148 1
1 199 . 3 1 1 A 17 17 ASN H H 17 7.682 8.078 -0.396 1
1 200 . 3 1 1 A 17 17 ASN HA H 17 4.300 4.482 -0.182 1
1 206 . 3 1 1 A 18 18 GLN N N 18 110.518 112.600 -2.082 1
1 208 . 3 1 1 A 18 18 GLN CA C 18 52.888 54.014 -1.126 1
1 209 . 3 1 1 A 18 18 GLN CB C 18 31.353 31.715 -0.362 1
1 211 . 3 1 1 A 18 18 GLN C C 18 171.717 174.297 -2.580 1
1 212 . 3 1 1 A 18 18 GLN H H 18 6.757 7.360 -0.603 1
1 213 . 3 1 1 A 18 18 GLN HA H 18 4.911 5.045 -0.134 1
1 220 . 3 1 1 A 19 19 LEU N N 19 124.400 124.190 0.210 1
1 221 . 3 1 1 A 19 19 LEU CA C 19 53.873 54.459 -0.586 1
1 222 . 3 1 1 A 19 19 LEU CB C 19 44.558 42.505 2.053 1
1 226 . 3 1 1 A 19 19 LEU C C 19 173.731 175.953 -2.222 1
1 227 . 3 1 1 A 19 19 LEU H H 19 9.048 8.946 0.102 1
1 228 . 3 1 1 A 19 19 LEU HA H 19 4.543 4.694 -0.151 1
1 238 . 3 1 1 A 20 20 LEU N N 20 128.415 124.863 3.552 1
1 239 . 3 1 1 A 20 20 LEU CA C 20 53.695 53.509 0.186 1
1 240 . 3 1 1 A 20 20 LEU CB C 20 41.956 45.422 -3.466 1
1 244 . 3 1 1 A 20 20 LEU C C 20 175.696 174.684 1.012 1
1 245 . 3 1 1 A 20 20 LEU H H 20 9.021 9.308 -0.287 1
1 246 . 3 1 1 A 20 20 LEU HA H 20 4.852 5.182 -0.330 1
1 256 . 3 1 1 A 21 21 VAL N N 21 125.838 121.981 3.857 1
1 257 . 3 1 1 A 21 21 VAL CA C 21 60.511 60.497 0.014 1
1 258 . 3 1 1 A 21 21 VAL CB C 21 45.331 31.735 13.596 1
1 260 . 3 1 1 A 21 21 VAL C C 21 173.979 174.240 -0.261 1
1 261 . 3 1 1 A 21 21 VAL H H 21 9.073 8.929 0.144 1
1 262 . 3 1 1 A 21 21 VAL HA H 21 4.853 4.925 -0.072 1
1 270 . 3 1 1 A 22 22 GLY N N 22 117.254 112.375 4.879 1
1 271 . 3 1 1 A 22 22 GLY CA C 22 43.843 46.350 -2.507 1
1 272 . 3 1 1 A 22 22 GLY C C 22 172.485 173.518 -1.033 1
1 273 . 3 1 1 A 22 22 GLY H H 22 9.486 8.857 0.629 1
1 274 . 3 1 1 A 22 22 GLY HA3 H 22 4.653 4.062 0.591 1
1 275 . 3 1 1 A 22 22 GLY HA2 H 22 3.520 3.992 -0.472 1
1 276 . 3 1 1 A 23 23 ILE N N 23 125.106 123.056 2.050 1
1 277 . 3 1 1 A 23 23 ILE CA C 23 58.182 61.168 -2.986 1
1 278 . 3 1 1 A 23 23 ILE CB C 23 35.290 38.844 -3.554 1
1 282 . 3 1 1 A 23 23 ILE C C 23 174.346 176.128 -1.782 1
1 283 . 3 1 1 A 23 23 ILE H H 23 8.831 8.182 0.649 1
1 284 . 3 1 1 A 23 23 ILE HA H 23 4.330 4.592 -0.262 1
1 294 . 3 1 1 A 24 24 ILE N N 24 126.735 123.608 3.127 1
1 295 . 3 1 1 A 24 24 ILE CA C 24 65.005 62.837 2.168 1
1 296 . 3 1 1 A 24 24 ILE CB C 24 37.790 38.349 -0.559 1
1 300 . 3 1 1 A 24 24 ILE C C 24 177.149 176.359 0.790 1
1 301 . 3 1 1 A 24 24 ILE H H 24 8.365 8.082 0.283 1
1 302 . 3 1 1 A 24 24 ILE HA H 24 3.903 4.185 -0.282 1
1 312 . 3 1 1 A 25 25 GLN N N 25 110.662 114.674 -4.012 1
1 314 . 3 1 1 A 25 25 GLN CA C 25 54.295 54.522 -0.227 1
1 315 . 3 1 1 A 25 25 GLN CB C 25 30.953 32.123 -1.170 1
1 317 . 3 1 1 A 25 25 GLN C C 25 171.152 173.207 -2.055 1
1 318 . 3 1 1 A 25 25 GLN H H 25 7.706 7.682 0.024 1
1 319 . 3 1 1 A 25 25 GLN HA H 25 5.123 4.755 0.368 1
1 325 . 3 1 1 A 26 26 ALA N N 26 121.300 122.863 -1.563 1
1 326 . 3 1 1 A 26 26 ALA CA C 26 49.951 50.095 -0.144 1
1 327 . 3 1 1 A 26 26 ALA CB C 26 22.406 22.215 0.191 1
1 328 . 3 1 1 A 26 26 ALA C C 26 171.937 175.901 -3.964 1
1 329 . 3 1 1 A 26 26 ALA H H 26 9.195 8.162 1.033 1
1 330 . 3 1 1 A 26 26 ALA HA H 26 5.740 5.658 0.082 1
1 334 . 3 1 1 A 27 27 ALA N N 27 120.100 121.744 -1.644 1
1 335 . 3 1 1 A 27 27 ALA CA C 27 50.524 50.701 -0.177 1
1 336 . 3 1 1 A 27 27 ALA CB C 27 24.047 21.683 2.364 1
1 337 . 3 1 1 A 27 27 ALA C C 27 174.984 176.753 -1.769 1
1 338 . 3 1 1 A 27 27 ALA H H 27 9.118 8.737 0.381 1
1 339 . 3 1 1 A 27 27 ALA HA H 27 5.353 4.797 0.556 1
1 343 . 3 1 1 A 28 28 GLU N N 28 112.600 118.501 -5.901 1
1 344 . 3 1 1 A 28 28 GLU CA C 28 56.032 57.180 -1.148 1
1 345 . 3 1 1 A 28 28 GLU CB C 28 25.966 27.563 -1.597 1
1 347 . 3 1 1 A 28 28 GLU C C 28 174.427 175.739 -1.312 1
1 348 . 3 1 1 A 28 28 GLU H H 28 8.453 8.736 -0.283 1
1 349 . 3 1 1 A 28 28 GLU HA H 28 3.648 3.801 -0.153 1
1 354 . 3 1 1 A 29 29 LEU N N 29 116.093 120.342 -4.249 1
1 355 . 3 1 1 A 29 29 LEU CA C 29 53.295 53.227 0.068 1
1 356 . 3 1 1 A 29 29 LEU CB C 29 39.640 41.215 -1.575 1
1 360 . 3 1 1 A 29 29 LEU C C 29 173.800 174.517 -0.717 1
1 361 . 3 1 1 A 29 29 LEU H H 29 7.951 8.243 -0.292 1
1 362 . 3 1 1 A 29 29 LEU HA H 29 4.330 4.420 -0.090 1
1 372 . 3 1 1 A 30 30 PRO CA C 30 61.760 62.685 -0.925 1
1 373 . 3 1 1 A 30 30 PRO CB C 30 31.492 31.903 -0.411 1
1 376 . 3 1 1 A 30 30 PRO C C 30 175.525 176.390 -0.865 1
1 377 . 3 1 1 A 30 30 PRO HA H 30 4.327 4.476 -0.149 1
1 383 . 3 1 1 A 31 31 ALA N N 31 122.487 124.360 -1.873 1
1 384 . 3 1 1 A 31 31 ALA CA C 31 50.604 51.819 -1.215 1
1 385 . 3 1 1 A 31 31 ALA CB C 31 18.576 19.830 -1.254 1
1 386 . 3 1 1 A 31 31 ALA C C 31 177.222 177.030 0.192 1
1 387 . 3 1 1 A 31 31 ALA H H 31 8.128 8.349 -0.221 1
1 388 . 3 1 1 A 31 31 ALA HA H 31 4.130 4.558 -0.428 1
1 392 . 3 1 1 A 32 32 LEU N N 32 124.400 125.167 -0.767 1
1 393 . 3 1 1 A 32 32 LEU CA C 32 55.041 53.771 1.270 1
1 394 . 3 1 1 A 32 32 LEU CB C 32 42.916 42.112 0.804 1
1 398 . 3 1 1 A 32 32 LEU C C 32 176.852 174.828 2.024 1
1 399 . 3 1 1 A 32 32 LEU H H 32 8.035 8.813 -0.778 1
1 400 . 3 1 1 A 32 32 LEU HA H 32 4.240 4.749 -0.509 1
1 410 . 3 1 1 A 33 33 ASP N N 33 119.800 120.625 -0.825 1
1 411 . 3 1 1 A 33 33 ASP CA C 33 52.948 53.304 -0.356 1
1 412 . 3 1 1 A 33 33 ASP CB C 33 41.578 44.906 -3.328 1
1 413 . 3 1 1 A 33 33 ASP C C 33 176.200 174.529 1.671 1
1 414 . 3 1 1 A 33 33 ASP H H 33 8.400 7.294 1.106 1
1 415 . 3 1 1 A 33 33 ASP HA H 33 4.785 5.102 -0.317 1
1 418 . 3 1 1 A 34 34 MET N N 34 120.000 122.301 -2.301 1
1 419 . 3 1 1 A 34 34 MET CA C 34 56.561 54.802 1.759 1
1 420 . 3 1 1 A 34 34 MET CB C 34 31.288 30.655 0.633 1
1 422 . 3 1 1 A 34 34 MET C C 34 176.483 175.977 0.506 1
1 423 . 3 1 1 A 34 34 MET H H 34 8.492 8.457 0.035 1
1 424 . 3 1 1 A 34 34 MET HA H 34 4.213 4.585 -0.372 1
1 429 . 3 1 1 A 35 35 GLY N N 35 110.400 110.737 -0.337 1
1 430 . 3 1 1 A 35 35 GLY CA C 35 44.884 45.535 -0.651 1
1 431 . 3 1 1 A 35 35 GLY C C 35 174.831 175.154 -0.323 1
1 432 . 3 1 1 A 35 35 GLY H H 35 8.668 8.123 0.545 1
1 433 . 3 1 1 A 35 35 GLY HA3 H 35 4.039 4.053 -0.014 1
1 434 . 3 1 1 A 35 35 GLY HA2 H 35 3.818 4.049 -0.231 1
1 435 . 3 1 1 A 36 36 GLY N N 36 107.400 109.620 -2.220 1
1 436 . 3 1 1 A 36 36 GLY CA C 36 45.427 46.666 -1.239 1
1 437 . 3 1 1 A 36 36 GLY C C 36 173.194 173.597 -0.403 1
1 438 . 3 1 1 A 36 36 GLY H H 36 8.008 8.071 -0.063 1
1 439 . 3 1 1 A 36 36 GLY HA3 H 36 4.000 3.943 0.057 1
1 440 . 3 1 1 A 36 36 GLY HA2 H 36 3.861 3.941 -0.080 1
1 441 . 3 1 1 A 37 37 THR N N 37 111.100 110.409 0.691 1
1 442 . 3 1 1 A 37 37 THR CA C 37 59.954 59.616 0.338 1
1 443 . 3 1 1 A 37 37 THR CB C 37 70.589 72.854 -2.265 1
1 445 . 3 1 1 A 37 37 THR C C 37 171.355 172.461 -1.106 1
1 446 . 3 1 1 A 37 37 THR H H 37 7.476 7.514 -0.038 1
1 447 . 3 1 1 A 37 37 THR HA H 37 4.511 5.048 -0.537 1
1 450 . 3 1 1 A 38 38 SER N N 38 115.811 114.764 1.047 1
1 451 . 3 1 1 A 38 38 SER CA C 38 57.664 56.533 1.131 1
1 452 . 3 1 1 A 38 38 SER CB C 38 70.510 66.250 4.260 1
1 453 . 3 1 1 A 38 38 SER C C 38 170.198 173.271 -3.073 1
1 454 . 3 1 1 A 38 38 SER H H 38 7.257 8.903 -1.646 1
1 455 . 3 1 1 A 38 38 SER HA H 38 4.707 5.152 -0.445 1
1 458 . 3 1 1 A 39 39 ASP N N 39 121.288 120.852 0.436 1
1 459 . 3 1 1 A 39 39 ASP CA C 39 51.058 51.722 -0.664 1
1 460 . 3 1 1 A 39 39 ASP CB C 39 42.210 42.002 0.208 1
1 461 . 3 1 1 A 39 39 ASP C C 39 172.500 173.408 -0.908 1
1 462 . 3 1 1 A 39 39 ASP H H 39 8.698 8.529 0.169 1
1 463 . 3 1 1 A 39 39 ASP HA H 39 5.940 5.978 -0.038 1
1 466 . 3 1 1 A 40 40 PRO CA C 40 62.440 62.894 -0.454 1
1 467 . 3 1 1 A 40 40 PRO CB C 40 34.370 33.547 0.823 1
1 470 . 3 1 1 A 40 40 PRO C C 40 176.317 175.391 0.926 1
1 471 . 3 1 1 A 40 40 PRO HA H 40 5.826 5.203 0.623 1
1 478 . 3 1 1 A 41 41 TYR N N 41 113.769 123.969 -10.200 1
1 479 . 3 1 1 A 41 41 TYR CA C 41 56.150 58.120 -1.970 1
1 480 . 3 1 1 A 41 41 TYR CB C 41 40.246 42.038 -1.792 1
1 481 . 3 1 1 A 41 41 TYR C C 41 171.425 173.444 -2.019 1
1 482 . 3 1 1 A 41 41 TYR H H 41 8.703 8.944 -0.241 1
1 483 . 3 1 1 A 41 41 TYR HA H 41 4.795 5.128 -0.333 1
1 487 . 3 1 1 A 42 42 VAL N N 42 119.919 126.693 -6.774 1
1 488 . 3 1 1 A 42 42 VAL CA C 42 60.064 61.535 -1.471 1
1 489 . 3 1 1 A 42 42 VAL CB C 42 33.816 32.640 1.176 1
1 492 . 3 1 1 A 42 42 VAL C C 42 174.456 174.676 -0.220 1
1 493 . 3 1 1 A 42 42 VAL HA H 42 5.020 4.655 0.365 1
1 501 . 3 1 1 A 43 43 LYS N N 43 125.776 125.785 -0.009 1
1 502 . 3 1 1 A 43 43 LYS CA C 43 54.601 55.454 -0.853 1
1 503 . 3 1 1 A 43 43 LYS CB C 43 36.096 32.175 3.921 1
1 507 . 3 1 1 A 43 43 LYS C C 43 174.518 175.367 -0.849 1
1 508 . 3 1 1 A 43 43 LYS H H 43 9.415 8.825 0.590 1
1 509 . 3 1 1 A 43 43 LYS HA H 43 5.374 4.051 1.323 1
1 518 . 3 1 1 A 44 44 VAL N N 44 121.484 125.776 -4.292 1
1 519 . 3 1 1 A 44 44 VAL CA C 44 59.365 60.867 -1.502 1
1 520 . 3 1 1 A 44 44 VAL CB C 44 34.818 32.411 2.407 1
1 523 . 3 1 1 A 44 44 VAL C C 44 173.928 174.919 -0.991 1
1 524 . 3 1 1 A 44 44 VAL H H 44 8.845 8.232 0.613 1
1 525 . 3 1 1 A 44 44 VAL HA H 44 5.326 4.672 0.654 1
1 533 . 3 1 1 A 45 45 PHE N N 45 120.600 125.065 -4.465 1
1 534 . 3 1 1 A 45 45 PHE CA C 45 55.886 56.182 -0.296 1
1 535 . 3 1 1 A 45 45 PHE CB C 45 39.882 44.242 -4.360 1
1 536 . 3 1 1 A 45 45 PHE C C 45 171.102 174.837 -3.735 1
1 537 . 3 1 1 A 45 45 PHE H H 45 8.254 8.918 -0.664 1
1 538 . 3 1 1 A 45 45 PHE HA H 45 4.971 5.500 -0.529 1
1 541 . 3 1 1 A 46 46 LEU N N 46 121.444 121.486 -0.042 1
1 542 . 3 1 1 A 46 46 LEU CA C 46 52.376 53.305 -0.929 1
1 543 . 3 1 1 A 46 46 LEU CB C 46 43.229 45.155 -1.926 1
1 547 . 3 1 1 A 46 46 LEU C C 46 176.176 176.530 -0.354 1
1 548 . 3 1 1 A 46 46 LEU H H 46 9.137 9.092 0.045 1
1 549 . 3 1 1 A 46 46 LEU HA H 46 4.189 5.347 -1.158 1
1 559 . 3 1 1 A 47 47 LEU N N 47 123.900 123.762 0.138 1
1 560 . 3 1 1 A 47 47 LEU CA C 47 52.926 53.204 -0.278 1
1 561 . 3 1 1 A 47 47 LEU CB C 47 41.010 41.440 -0.430 1
1 565 . 3 1 1 A 47 47 LEU C C 47 175.800 177.432 -1.632 1
1 566 . 3 1 1 A 47 47 LEU H H 47 8.945 9.330 -0.385 1
1 567 . 3 1 1 A 47 47 LEU HA H 47 4.185 4.627 -0.442 1
1 577 . 3 1 1 A 48 48 PRO CA C 48 62.992 65.600 -2.608 1
1 578 . 3 1 1 A 48 48 PRO CB C 48 24.080 31.799 -7.719 1
1 581 . 3 1 1 A 48 48 PRO C C 48 176.188 177.733 -1.545 1
1 582 . 3 1 1 A 48 48 PRO HA H 48 4.474 4.233 0.241 1
1 588 . 3 1 1 A 49 49 ASP N N 49 113.800 116.615 -2.815 1
1 589 . 3 1 1 A 49 49 ASP CA C 49 55.199 56.966 -1.767 1
1 590 . 3 1 1 A 49 49 ASP CB C 49 40.158 41.197 -1.039 1
1 591 . 3 1 1 A 49 49 ASP C C 49 175.304 175.965 -0.661 1
1 592 . 3 1 1 A 49 49 ASP H H 49 8.467 8.937 -0.470 1
1 593 . 3 1 1 A 49 49 ASP HA H 49 4.576 4.467 0.109 1
1 596 . 3 1 1 A 50 50 LYS N N 50 120.081 117.718 2.363 1
1 597 . 3 1 1 A 50 50 LYS CA C 50 56.803 57.436 -0.633 1
1 598 . 3 1 1 A 50 50 LYS CB C 50 32.059 29.664 2.395 1
1 602 . 3 1 1 A 50 50 LYS H H 50 8.329 7.948 0.381 1
1 603 . 3 1 1 A 50 50 LYS HA H 50 3.949 4.041 -0.092 1
1 604 . 3 1 1 A 50 50 LYS C C 50 175.754 176.527 -0.773 1
1 613 . 3 1 1 A 51 51 LYS N N 51 117.896 116.075 1.821 1
1 614 . 3 1 1 A 51 51 LYS CA C 51 57.360 56.423 0.937 1
1 615 . 3 1 1 A 51 51 LYS CB C 51 32.230 32.248 -0.018 1
1 619 . 3 1 1 A 51 51 LYS H H 51 8.099 8.276 -0.177 1
1 620 . 3 1 1 A 51 51 LYS HA H 51 3.950 4.379 -0.429 1
1 621 . 3 1 1 A 51 51 LYS C C 51 176.619 175.564 1.055 1
1 630 . 3 1 1 A 52 52 LYS N N 52 120.200 121.199 -0.999 1
1 631 . 3 1 1 A 52 52 LYS CA C 52 54.688 55.692 -1.004 1
1 632 . 3 1 1 A 52 52 LYS CB C 52 31.829 34.054 -2.225 1
1 636 . 3 1 1 A 52 52 LYS H H 52 7.447 7.603 -0.156 1
1 637 . 3 1 1 A 52 52 LYS HA H 52 4.259 4.735 -0.476 1
1 638 . 3 1 1 A 52 52 LYS C C 52 173.420 175.023 -1.603 1
1 647 . 3 1 1 A 53 53 LYS N N 53 123.119 126.424 -3.305 1
1 648 . 3 1 1 A 53 53 LYS CA C 53 53.698 55.564 -1.866 1
1 649 . 3 1 1 A 53 53 LYS CB C 53 41.592 33.103 8.489 1
1 653 . 3 1 1 A 53 53 LYS H H 53 7.810 8.824 -1.014 1
1 654 . 3 1 1 A 53 53 LYS HA H 53 5.004 5.079 -0.075 1
1 655 . 3 1 1 A 53 53 LYS C C 53 174.468 175.585 -1.117 1
1 664 . 3 1 1 A 54 54 PHE N N 54 120.200 125.907 -5.707 1
1 665 . 3 1 1 A 54 54 PHE CA C 54 56.583 56.563 0.020 1
1 666 . 3 1 1 A 54 54 PHE CB C 54 42.110 42.382 -0.272 1
1 667 . 3 1 1 A 54 54 PHE C C 54 173.801 174.135 -0.334 1
1 668 . 3 1 1 A 54 54 PHE H H 54 8.490 8.425 0.065 1
1 669 . 3 1 1 A 54 54 PHE HA H 54 4.680 5.097 -0.417 1
1 672 . 3 1 1 A 55 55 GLU N N 55 117.600 125.800 -8.200 1
1 673 . 3 1 1 A 55 55 GLU CA C 55 53.537 55.213 -1.676 1
1 674 . 3 1 1 A 55 55 GLU CB C 55 33.241 33.044 0.197 1
1 676 . 3 1 1 A 55 55 GLU C C 55 176.694 175.141 1.553 1
1 677 . 3 1 1 A 55 55 GLU H H 55 8.309 7.349 0.960 1
1 678 . 3 1 1 A 55 55 GLU HA H 55 5.690 4.614 1.076 1
1 683 . 3 1 1 A 56 56 THR N N 56 111.700 118.097 -6.397 1
1 684 . 3 1 1 A 56 56 THR CA C 56 60.989 60.713 0.276 1
1 685 . 3 1 1 A 56 56 THR CB C 56 71.860 70.045 1.815 1
1 687 . 3 1 1 A 56 56 THR C C 56 174.385 174.488 -0.103 1
1 688 . 3 1 1 A 56 56 THR H H 56 8.775 8.031 0.744 1
1 689 . 3 1 1 A 56 56 THR HA H 56 4.838 4.594 0.244 1
1 692 . 3 1 1 A 57 57 LYS N N 57 119.500 122.891 -3.391 1
1 693 . 3 1 1 A 57 57 LYS CA C 57 56.775 55.959 0.816 1
1 694 . 3 1 1 A 57 57 LYS CB C 57 32.743 32.999 -0.256 1
1 698 . 3 1 1 A 57 57 LYS H H 57 9.787 7.481 2.306 1
1 699 . 3 1 1 A 57 57 LYS HA H 57 4.151 4.241 -0.090 1
1 700 . 3 1 1 A 57 57 LYS C C 57 177.417 176.012 1.405 1
1 709 . 3 1 1 A 58 58 VAL N N 58 123.100 124.792 -1.692 1
1 710 . 3 1 1 A 58 58 VAL CA C 58 61.870 62.279 -0.409 1
1 711 . 3 1 1 A 58 58 VAL CB C 58 32.081 32.463 -0.382 1
1 714 . 3 1 1 A 58 58 VAL C C 58 176.850 174.261 2.589 1
1 715 . 3 1 1 A 58 58 VAL H H 58 8.120 8.214 -0.094 1
1 716 . 3 1 1 A 58 58 VAL HA H 58 4.284 4.278 0.006 1
1 724 . 3 1 1 A 59 59 HIS N N 59 128.800 128.207 0.593 1
1 725 . 3 1 1 A 59 59 HIS CA C 59 54.311 54.932 -0.621 1
1 726 . 3 1 1 A 59 59 HIS CB C 59 30.426 28.754 1.672 1
1 727 . 3 1 1 A 59 59 HIS C C 59 172.101 175.112 -3.011 1
1 728 . 3 1 1 A 59 59 HIS H H 59 8.550 8.648 -0.098 1
1 729 . 3 1 1 A 59 59 HIS HA H 59 4.457 4.990 -0.533 1
1 732 . 3 1 1 A 60 60 ARG N N 60 118.700 123.369 -4.669 1
1 733 . 3 1 1 A 60 60 ARG CA C 60 55.702 56.395 -0.693 1
1 734 . 3 1 1 A 60 60 ARG CB C 60 30.713 30.491 0.222 1
1 737 . 3 1 1 A 60 60 ARG C C 60 176.252 176.004 0.248 1
1 738 . 3 1 1 A 60 60 ARG H H 60 8.211 8.584 -0.373 1
1 739 . 3 1 1 A 60 60 ARG HA H 60 4.389 4.230 0.159 1
1 746 . 3 1 1 A 61 61 LYS N N 61 122.500 117.862 4.638 1
1 747 . 3 1 1 A 61 61 LYS CA C 61 55.977 57.028 -1.051 1
1 748 . 3 1 1 A 61 61 LYS CB C 61 29.711 29.500 0.211 1
1 752 . 3 1 1 A 61 61 LYS H H 61 9.608 9.131 0.477 1
1 753 . 3 1 1 A 61 61 LYS HA H 61 3.946 3.853 0.093 1
1 754 . 3 1 1 A 61 61 LYS C C 61 175.083 175.055 0.028 1
1 763 . 3 1 1 A 62 62 THR N N 62 113.400 108.943 4.457 1
1 764 . 3 1 1 A 62 62 THR CA C 62 59.755 59.940 -0.185 1
1 765 . 3 1 1 A 62 62 THR CB C 62 63.417 72.014 -8.597 1
1 767 . 3 1 1 A 62 62 THR C C 62 170.120 174.301 -4.181 1
1 768 . 3 1 1 A 62 62 THR H H 62 8.470 7.546 0.924 1
1 769 . 3 1 1 A 62 62 THR HA H 62 4.703 4.816 -0.113 1
1 772 . 3 1 1 A 63 63 LEU N N 63 123.100 123.232 -0.132 1
1 773 . 3 1 1 A 63 63 LEU CA C 63 52.833 55.876 -3.043 1
1 774 . 3 1 1 A 63 63 LEU CB C 63 40.311 42.252 -1.941 1
1 778 . 3 1 1 A 63 63 LEU C C 63 175.135 176.830 -1.695 1
1 779 . 3 1 1 A 63 63 LEU H H 63 8.257 8.770 -0.513 1
1 780 . 3 1 1 A 63 63 LEU HA H 63 4.483 4.396 0.087 1
1 790 . 3 1 1 A 64 64 ASN N N 64 114.829 118.383 -3.554 1
1 792 . 3 1 1 A 64 64 ASN CA C 64 50.610 50.486 0.124 1
1 793 . 3 1 1 A 64 64 ASN CB C 64 40.550 38.906 1.644 1
1 794 . 3 1 1 A 64 64 ASN C C 64 171.500 172.845 -1.345 1
1 795 . 3 1 1 A 64 64 ASN H H 64 8.306 7.964 0.342 1
1 796 . 3 1 1 A 64 64 ASN HA H 64 5.450 5.148 0.302 1
1 801 . 3 1 1 A 65 65 PRO CA C 65 61.914 62.236 -0.322 1
1 802 . 3 1 1 A 65 65 PRO CB C 65 30.780 32.464 -1.684 1
1 805 . 3 1 1 A 65 65 PRO C C 65 173.852 176.356 -2.504 1
1 806 . 3 1 1 A 65 65 PRO HA H 65 3.970 4.886 -0.916 1
1 813 . 3 1 1 A 66 66 VAL N N 66 121.000 116.026 4.974 1
1 814 . 3 1 1 A 66 66 VAL CA C 66 61.782 60.102 1.680 1
1 815 . 3 1 1 A 66 66 VAL CB C 66 32.721 33.655 -0.934 1
1 818 . 3 1 1 A 66 66 VAL C C 66 175.152 175.677 -0.525 1
1 819 . 3 1 1 A 66 66 VAL H H 66 7.926 8.173 -0.247 1
1 820 . 3 1 1 A 66 66 VAL HA H 66 3.807 4.788 -0.981 1
1 828 . 3 1 1 A 67 67 PHE N N 67 123.400 126.561 -3.161 1
1 829 . 3 1 1 A 67 67 PHE CA C 67 59.262 60.838 -1.576 1
1 830 . 3 1 1 A 67 67 PHE CB C 67 39.849 39.962 -0.113 1
1 831 . 3 1 1 A 67 67 PHE C C 67 175.748 175.452 0.296 1
1 832 . 3 1 1 A 67 67 PHE H H 67 8.150 8.737 -0.587 1
1 833 . 3 1 1 A 67 67 PHE HA H 67 4.378 4.424 -0.046 1
1 836 . 3 1 1 A 68 68 ASN N N 68 117.500 116.143 1.357 1
1 837 . 3 1 1 A 68 68 ASN CA C 68 53.983 54.272 -0.289 1
1 838 . 3 1 1 A 68 68 ASN CB C 68 37.351 36.559 0.792 1
1 839 . 3 1 1 A 68 68 ASN C C 68 173.314 173.825 -0.511 1
1 840 . 3 1 1 A 68 68 ASN H H 68 8.920 8.759 0.161 1
1 841 . 3 1 1 A 68 68 ASN HA H 68 4.350 5.274 -0.924 1
1 847 . 3 1 1 A 69 69 GLU N N 69 116.000 118.467 -2.467 1
1 848 . 3 1 1 A 69 69 GLU CA C 69 55.742 54.841 0.901 1
1 849 . 3 1 1 A 69 69 GLU CB C 69 34.663 32.256 2.407 1
1 851 . 3 1 1 A 69 69 GLU C C 69 174.165 174.624 -0.459 1
1 852 . 3 1 1 A 69 69 GLU H H 69 7.931 7.889 0.042 1
1 853 . 3 1 1 A 69 69 GLU HA H 69 4.638 5.110 -0.472 1
1 858 . 3 1 1 A 70 70 GLN N N 70 121.500 128.287 -6.787 1
1 860 . 3 1 1 A 70 70 GLN CA C 70 53.807 55.145 -1.338 1
1 861 . 3 1 1 A 70 70 GLN CB C 70 31.750 29.133 2.617 1
1 863 . 3 1 1 A 70 70 GLN C C 70 173.068 174.344 -1.276 1
1 864 . 3 1 1 A 70 70 GLN H H 70 8.174 8.572 -0.398 1
1 865 . 3 1 1 A 70 70 GLN HA H 70 4.985 4.400 0.585 1
1 872 . 3 1 1 A 71 71 PHE N N 71 124.300 126.743 -2.443 1
1 873 . 3 1 1 A 71 71 PHE CA C 71 55.249 56.307 -1.058 1
1 874 . 3 1 1 A 71 71 PHE CB C 71 42.133 37.935 4.198 1
1 875 . 3 1 1 A 71 71 PHE C C 71 173.570 174.411 -0.841 1
1 876 . 3 1 1 A 71 71 PHE H H 71 9.040 8.393 0.647 1
1 877 . 3 1 1 A 71 71 PHE HA H 71 4.528 3.526 1.002 1
1 880 . 3 1 1 A 72 72 THR N N 72 114.000 118.983 -4.983 1
1 881 . 3 1 1 A 72 72 THR CA C 72 59.491 62.866 -3.375 1
1 882 . 3 1 1 A 72 72 THR CB C 72 70.623 68.672 1.951 1
1 884 . 3 1 1 A 72 72 THR C C 72 172.834 173.889 -1.055 1
1 885 . 3 1 1 A 72 72 THR H H 72 7.763 7.968 -0.205 1
1 886 . 3 1 1 A 72 72 THR HA H 72 5.212 4.342 0.870 1
1 889 . 3 1 1 A 73 73 PHE N N 73 120.900 126.214 -5.314 1
1 890 . 3 1 1 A 73 73 PHE CA C 73 56.071 56.255 -0.184 1
1 891 . 3 1 1 A 73 73 PHE CB C 73 41.570 39.419 2.151 1
1 892 . 3 1 1 A 73 73 PHE C C 73 174.890 174.141 0.749 1
1 893 . 3 1 1 A 73 73 PHE H H 73 8.983 8.890 0.093 1
1 894 . 3 1 1 A 73 73 PHE HA H 73 4.750 4.929 -0.179 1
1 897 . 3 1 1 A 74 74 LYS N N 74 127.500 126.176 1.324 1
1 898 . 3 1 1 A 74 74 LYS CA C 74 56.186 55.496 0.690 1
1 899 . 3 1 1 A 74 74 LYS CB C 74 30.577 30.841 -0.264 1
1 903 . 3 1 1 A 74 74 LYS C C 74 174.575 175.340 -0.765 1
1 904 . 3 1 1 A 74 74 LYS H H 74 9.063 8.773 0.290 1
1 905 . 3 1 1 A 74 74 LYS HA H 74 4.690 4.412 0.278 1
1 914 . 3 1 1 A 75 75 VAL N N 75 126.600 125.021 1.579 1
1 915 . 3 1 1 A 75 75 VAL CA C 75 57.737 58.441 -0.704 1
1 916 . 3 1 1 A 75 75 VAL CB C 75 35.160 34.864 0.296 1
1 919 . 3 1 1 A 75 75 VAL C C 75 171.500 173.765 -2.265 1
1 920 . 3 1 1 A 75 75 VAL H H 75 7.546 8.706 -1.160 1
1 921 . 3 1 1 A 75 75 VAL HA H 75 4.650 4.779 -0.129 1
1 929 . 3 1 1 A 76 76 PRO CA C 76 62.476 62.637 -0.161 1
1 930 . 3 1 1 A 76 76 PRO CB C 76 32.143 32.711 -0.568 1
1 933 . 3 1 1 A 76 76 PRO C C 76 176.991 177.475 -0.484 1
1 934 . 3 1 1 A 76 76 PRO HA H 76 4.329 4.714 -0.385 1
1 941 . 3 1 1 A 77 77 TYR N N 77 128.500 124.346 4.154 1
1 942 . 3 1 1 A 77 77 TYR CA C 77 61.772 60.742 1.030 1
1 943 . 3 1 1 A 77 77 TYR CB C 77 37.898 37.414 0.484 1
1 944 . 3 1 1 A 77 77 TYR C C 77 177.516 177.710 -0.194 1
1 945 . 3 1 1 A 77 77 TYR H H 77 8.626 9.148 -0.522 1
1 946 . 3 1 1 A 77 77 TYR HA H 77 3.403 4.232 -0.829 1
1 950 . 3 1 1 A 78 78 SER N N 78 110.600 115.995 -5.395 1
1 951 . 3 1 1 A 78 78 SER H H 78 8.509 7.592 0.917 1
1 952 . 3 1 1 A 78 78 SER CA C 78 60.064 61.141 -1.077 1
1 953 . 3 1 1 A 78 78 SER CB C 78 62.022 62.933 -0.911 1
1 954 . 3 1 1 A 78 78 SER C C 78 175.292 175.925 -0.633 1
1 955 . 3 1 1 A 78 78 SER HA H 78 3.940 3.997 -0.057 1
1 958 . 3 1 1 A 79 79 GLU N N 79 119.000 120.703 -1.703 1
1 959 . 3 1 1 A 79 79 GLU CA C 79 55.273 56.891 -1.618 1
1 960 . 3 1 1 A 79 79 GLU CB C 79 30.302 29.770 0.532 1
1 962 . 3 1 1 A 79 79 GLU C C 79 177.218 179.009 -1.791 1
1 963 . 3 1 1 A 79 79 GLU H H 79 7.411 7.725 -0.314 1
1 964 . 3 1 1 A 79 79 GLU HA H 79 4.280 4.269 0.011 1
1 969 . 3 1 1 A 80 80 LEU N N 80 121.600 122.263 -0.663 1
1 970 . 3 1 1 A 80 80 LEU CA C 80 57.376 57.898 -0.522 1
1 971 . 3 1 1 A 80 80 LEU CB C 80 41.916 41.732 0.184 1
1 975 . 3 1 1 A 80 80 LEU C C 80 177.098 178.457 -1.359 1
1 976 . 3 1 1 A 80 80 LEU H H 80 7.311 8.298 -0.987 1
1 977 . 3 1 1 A 80 80 LEU HA H 80 3.643 4.039 -0.396 1
1 987 . 3 1 1 A 81 81 GLY N N 81 102.900 106.951 -4.051 1
1 988 . 3 1 1 A 81 81 GLY CA C 81 46.638 47.396 -0.758 1
1 989 . 3 1 1 A 81 81 GLY C C 81 174.240 176.497 -2.257 1
1 990 . 3 1 1 A 81 81 GLY H H 81 7.860 7.860 0.000 1
1 991 . 3 1 1 A 81 81 GLY HA3 H 81 3.744 3.760 -0.016 1
1 992 . 3 1 1 A 81 81 GLY HA2 H 81 3.434 3.759 -0.325 1
1 993 . 3 1 1 A 82 82 GLY N N 82 105.900 108.532 -2.632 1
1 994 . 3 1 1 A 82 82 GLY CA C 82 44.289 46.297 -2.008 1
1 995 . 3 1 1 A 82 82 GLY C C 82 174.591 174.506 0.085 1
1 996 . 3 1 1 A 82 82 GLY H H 82 7.396 7.773 -0.377 1
1 997 . 3 1 1 A 82 82 GLY HA3 H 82 4.267 3.971 0.296 1
1 998 . 3 1 1 A 82 82 GLY HA2 H 82 3.760 3.967 -0.207 1
1 999 . 3 1 1 A 83 83 LYS N N 83 119.000 119.704 -0.704 1
1 1000 . 3 1 1 A 83 83 LYS CA C 83 53.818 55.334 -1.516 1
1 1001 . 3 1 1 A 83 83 LYS CB C 83 33.814 33.467 0.347 1
1 1005 . 3 1 1 A 83 83 LYS H H 83 7.888 7.692 0.196 1
1 1006 . 3 1 1 A 83 83 LYS HA H 83 4.366 4.627 -0.261 1
1 1007 . 3 1 1 A 83 83 LYS C C 83 176.518 175.742 0.776 1
1 1015 . 3 1 1 A 84 84 THR N N 84 118.500 117.749 0.751 1
1 1016 . 3 1 1 A 84 84 THR CA C 84 61.914 62.301 -0.387 1
1 1017 . 3 1 1 A 84 84 THR CB C 84 71.340 70.006 1.334 1
1 1019 . 3 1 1 A 84 84 THR C C 84 171.750 173.134 -1.384 1
1 1020 . 3 1 1 A 84 84 THR H H 84 8.248 8.573 -0.325 1
1 1021 . 3 1 1 A 84 84 THR HA H 84 4.638 4.722 -0.084 1
1 1024 . 3 1 1 A 85 85 LEU N N 85 130.500 130.192 0.308 1
1 1025 . 3 1 1 A 85 85 LEU CA C 85 53.982 54.285 -0.303 1
1 1026 . 3 1 1 A 85 85 LEU CB C 85 43.826 42.990 0.836 1
1 1030 . 3 1 1 A 85 85 LEU C C 85 173.417 175.878 -2.461 1
1 1031 . 3 1 1 A 85 85 LEU H H 85 8.430 8.503 -0.073 1
1 1032 . 3 1 1 A 85 85 LEU HA H 85 4.417 4.814 -0.397 1
1 1042 . 3 1 1 A 86 86 VAL N N 86 127.723 123.037 4.686 1
1 1043 . 3 1 1 A 86 86 VAL CA C 86 61.206 60.247 0.959 1
1 1044 . 3 1 1 A 86 86 VAL CB C 86 31.856 34.303 -2.447 1
1 1047 . 3 1 1 A 86 86 VAL C C 86 173.599 174.620 -1.021 1
1 1048 . 3 1 1 A 86 86 VAL H H 86 8.771 8.879 -0.108 1
1 1049 . 3 1 1 A 86 86 VAL HA H 86 4.151 5.258 -1.107 1
1 1057 . 3 1 1 A 87 87 MET N N 87 122.600 124.343 -1.743 1
1 1058 . 3 1 1 A 87 87 MET CA C 87 53.654 54.506 -0.852 1
1 1059 . 3 1 1 A 87 87 MET CB C 87 31.288 35.343 -4.055 1
1 1061 . 3 1 1 A 87 87 MET C C 87 172.749 174.645 -1.896 1
1 1062 . 3 1 1 A 87 87 MET H H 87 7.503 9.095 -1.592 1
1 1063 . 3 1 1 A 87 87 MET HA H 87 4.706 5.210 -0.504 1
1 1068 . 3 1 1 A 88 88 ALA N N 88 124.200 128.697 -4.497 1
1 1069 . 3 1 1 A 88 88 ALA CA C 88 50.017 50.938 -0.921 1
1 1070 . 3 1 1 A 88 88 ALA CB C 88 23.107 21.839 1.268 1
1 1071 . 3 1 1 A 88 88 ALA C C 88 174.558 176.257 -1.699 1
1 1072 . 3 1 1 A 88 88 ALA H H 88 8.755 8.591 0.164 1
1 1073 . 3 1 1 A 88 88 ALA HA H 88 4.948 5.206 -0.258 1
1 1077 . 3 1 1 A 89 89 VAL N N 89 122.900 121.243 1.657 1
1 1078 . 3 1 1 A 89 89 VAL CA C 89 60.881 61.818 -0.937 1
1 1079 . 3 1 1 A 89 89 VAL CB C 89 31.541 32.327 -0.786 1
1 1082 . 3 1 1 A 89 89 VAL C C 89 173.707 174.592 -0.885 1
1 1083 . 3 1 1 A 89 89 VAL H H 89 8.813 8.606 0.207 1
1 1084 . 3 1 1 A 89 89 VAL HA H 89 4.652 4.775 -0.123 1
1 1092 . 3 1 1 A 90 90 TYR N N 90 128.400 127.926 0.474 1
1 1093 . 3 1 1 A 90 90 TYR CA C 90 56.230 56.286 -0.056 1
1 1094 . 3 1 1 A 90 90 TYR CB C 90 43.211 41.934 1.277 1
1 1095 . 3 1 1 A 90 90 TYR C C 90 173.024 173.453 -0.429 1
1 1096 . 3 1 1 A 90 90 TYR H H 90 9.067 9.734 -0.667 1
1 1097 . 3 1 1 A 90 90 TYR HA H 90 4.766 5.305 -0.539 1
1 1101 . 3 1 1 A 91 91 ASP N N 91 116.300 129.258 -12.958 1
1 1102 . 3 1 1 A 91 91 ASP CA C 91 51.800 52.780 -0.980 1
1 1103 . 3 1 1 A 91 91 ASP CB C 91 42.265 42.551 -0.286 1
1 1104 . 3 1 1 A 91 91 ASP C C 91 175.823 174.899 0.924 1
1 1105 . 3 1 1 A 91 91 ASP H H 91 8.700 8.525 0.175 1
1 1106 . 3 1 1 A 91 91 ASP HA H 91 5.098 5.077 0.021 1
1 1109 . 3 1 1 A 92 92 PHE N N 92 128.100 125.606 2.494 1
1 1110 . 3 1 1 A 92 92 PHE CA C 92 58.830 57.294 1.536 1
1 1111 . 3 1 1 A 92 92 PHE CB C 92 31.850 38.739 -6.889 1
1 1112 . 3 1 1 A 92 92 PHE C C 92 173.437 175.303 -1.866 1
1 1113 . 3 1 1 A 92 92 PHE H H 92 9.540 8.731 0.809 1
1 1114 . 3 1 1 A 92 92 PHE HA H 92 4.480 4.295 0.185 1
1 1117 . 3 1 1 A 93 93 ASP N N 93 122.100 123.976 -1.876 1
1 1118 . 3 1 1 A 93 93 ASP CA C 93 53.701 53.115 0.586 1
1 1119 . 3 1 1 A 93 93 ASP CB C 93 41.736 40.335 1.401 1
1 1120 . 3 1 1 A 93 93 ASP C C 93 175.548 176.138 -0.590 1
1 1121 . 3 1 1 A 93 93 ASP H H 93 7.812 8.305 -0.493 1
1 1122 . 3 1 1 A 93 93 ASP HA H 93 4.480 5.375 -0.895 1
1 1125 . 3 1 1 A 94 94 ARG N N 94 121.500 114.046 7.454 1
1 1126 . 3 1 1 A 94 94 ARG CA C 94 56.142 57.699 -1.557 1
1 1127 . 3 1 1 A 94 94 ARG CB C 94 30.173 28.195 1.978 1
1 1129 . 3 1 1 A 94 94 ARG C C 94 175.795 175.413 0.382 1
1 1130 . 3 1 1 A 94 94 ARG H H 94 8.264 7.982 0.282 1
1 1131 . 3 1 1 A 94 94 ARG HA H 94 4.000 4.048 -0.048 1
1 1138 . 3 1 1 A 95 95 PHE N N 95 118.600 118.462 0.138 1
1 1139 . 3 1 1 A 95 95 PHE CA C 95 59.850 59.039 0.811 1
1 1140 . 3 1 1 A 95 95 PHE CB C 95 38.955 40.718 -1.763 1
1 1141 . 3 1 1 A 95 95 PHE C C 95 172.969 174.868 -1.899 1
1 1142 . 3 1 1 A 95 95 PHE H H 95 6.889 7.785 -0.896 1
1 1143 . 3 1 1 A 95 95 PHE HA H 95 4.373 4.935 -0.562 1
1 1146 . 3 1 1 A 96 96 SER N N 96 114.200 111.375 2.825 1
1 1147 . 3 1 1 A 96 96 SER H H 96 8.027 7.972 0.055 1
1 1148 . 3 1 1 A 96 96 SER CA C 96 57.596 57.879 -0.283 1
1 1149 . 3 1 1 A 96 96 SER CB C 96 63.494 64.693 -1.199 1
1 1150 . 3 1 1 A 96 96 SER C C 96 174.149 174.405 -0.256 1
1 1151 . 3 1 1 A 96 96 SER HA H 96 4.220 4.521 -0.301 1
1 1154 . 3 1 1 A 97 97 LYS N N 97 121.600 118.245 3.355 1
1 1155 . 3 1 1 A 97 97 LYS CA C 97 58.206 56.339 1.867 1
1 1156 . 3 1 1 A 97 97 LYS CB C 97 31.860 32.608 -0.748 1
1 1159 . 3 1 1 A 97 97 LYS H H 97 8.264 8.272 -0.008 1
1 1160 . 3 1 1 A 97 97 LYS HA H 97 4.202 4.039 0.163 1
1 1161 . 3 1 1 A 97 97 LYS C C 97 175.599 176.248 -0.649 1
1 1170 . 3 1 1 A 98 98 HIS N N 98 119.000 122.867 -3.867 1
1 1171 . 3 1 1 A 98 98 HIS CA C 98 54.159 56.574 -2.415 1
1 1172 . 3 1 1 A 98 98 HIS CB C 98 30.040 29.884 0.156 1
1 1173 . 3 1 1 A 98 98 HIS C C 98 174.050 174.283 -0.233 1
1 1174 . 3 1 1 A 98 98 HIS H H 98 8.350 8.307 0.043 1
1 1175 . 3 1 1 A 98 98 HIS HA H 98 4.784 5.987 -1.203 1
1 1178 . 3 1 1 A 99 99 ASP N N 99 122.600 125.108 -2.508 1
1 1179 . 3 1 1 A 99 99 ASP CA C 99 53.806 53.129 0.677 1
1 1180 . 3 1 1 A 99 99 ASP CB C 99 41.074 42.184 -1.110 1
1 1181 . 3 1 1 A 99 99 ASP C C 99 174.346 175.698 -1.352 1
1 1182 . 3 1 1 A 99 99 ASP H H 99 8.812 8.834 -0.022 1
1 1183 . 3 1 1 A 99 99 ASP HA H 99 4.781 4.782 -0.001 1
1 1186 . 3 1 1 A 100 100 ILE N N 100 122.400 125.632 -3.232 1
1 1187 . 3 1 1 A 100 100 ILE CA C 100 60.989 62.200 -1.211 1
1 1188 . 3 1 1 A 100 100 ILE CB C 100 38.823 38.672 0.151 1
1 1192 . 3 1 1 A 100 100 ILE C C 100 174.431 176.742 -2.311 1
1 1193 . 3 1 1 A 100 100 ILE H H 100 8.075 8.338 -0.263 1
1 1194 . 3 1 1 A 100 100 ILE HA H 100 3.405 3.764 -0.359 1
1 1204 . 3 1 1 A 101 101 ILE N N 101 127.400 125.173 2.227 1
1 1205 . 3 1 1 A 101 101 ILE CA C 101 63.380 63.016 0.364 1
1 1206 . 3 1 1 A 101 101 ILE CB C 101 38.058 38.230 -0.172 1
1 1210 . 3 1 1 A 101 101 ILE C C 101 175.859 176.385 -0.526 1
1 1211 . 3 1 1 A 101 101 ILE H H 101 9.219 8.703 0.516 1
1 1212 . 3 1 1 A 101 101 ILE HA H 101 3.869 4.033 -0.164 1
1 1219 . 3 1 1 A 102 102 GLY N N 102 101.500 109.572 -8.072 1
1 1220 . 3 1 1 A 102 102 GLY CA C 102 45.259 45.840 -0.581 1
1 1221 . 3 1 1 A 102 102 GLY C C 102 169.614 171.071 -1.457 1
1 1222 . 3 1 1 A 102 102 GLY H H 102 7.241 7.514 -0.273 1
1 1223 . 3 1 1 A 102 102 GLY HA3 H 102 4.024 4.052 -0.028 1
1 1224 . 3 1 1 A 102 102 GLY HA2 H 102 3.811 4.047 -0.236 1
1 1225 . 3 1 1 A 103 103 GLU N N 103 117.100 117.279 -0.179 1
1 1226 . 3 1 1 A 103 103 GLU CA C 103 54.229 55.139 -0.910 1
1 1227 . 3 1 1 A 103 103 GLU CB C 103 34.012 33.442 0.570 1
1 1229 . 3 1 1 A 103 103 GLU C C 103 173.993 174.087 -0.094 1
1 1230 . 3 1 1 A 103 103 GLU H H 103 9.499 9.186 0.313 1
1 1231 . 3 1 1 A 103 103 GLU HA H 103 5.513 5.203 0.310 1
1 1236 . 3 1 1 A 104 104 PHE N N 104 115.900 121.607 -5.707 1
1 1237 . 3 1 1 A 104 104 PHE CA C 104 58.037 57.245 0.792 1
1 1238 . 3 1 1 A 104 104 PHE CB C 104 41.030 42.921 -1.891 1
1 1239 . 3 1 1 A 104 104 PHE C C 104 171.749 173.426 -1.677 1
1 1240 . 3 1 1 A 104 104 PHE H H 104 8.525 8.964 -0.439 1
1 1241 . 3 1 1 A 104 104 PHE HA H 104 4.731 5.177 -0.446 1
1 1244 . 3 1 1 A 105 105 LYS N N 105 118.900 126.447 -7.547 1
1 1245 . 3 1 1 A 105 105 LYS CA C 105 53.771 55.033 -1.262 1
1 1246 . 3 1 1 A 105 105 LYS CB C 105 34.953 34.853 0.100 1
1 1250 . 3 1 1 A 105 105 LYS H H 105 7.805 8.214 -0.409 1
1 1251 . 3 1 1 A 105 105 LYS HA H 105 5.188 5.012 0.176 1
1 1252 . 3 1 1 A 105 105 LYS C C 105 175.389 174.869 0.520 1
1 1261 . 3 1 1 A 106 106 VAL N N 106 121.400 121.742 -0.342 1
1 1262 . 3 1 1 A 106 106 VAL CA C 106 58.522 58.318 0.204 1
1 1263 . 3 1 1 A 106 106 VAL CB C 106 34.050 35.008 -0.958 1
1 1266 . 3 1 1 A 106 106 VAL C C 106 173.300 173.334 -0.034 1
1 1267 . 3 1 1 A 106 106 VAL H H 106 9.276 8.603 0.673 1
1 1268 . 3 1 1 A 106 106 VAL HA H 106 4.430 4.640 -0.210 1
1 1276 . 3 1 1 A 107 107 PRO CA C 107 62.265 62.998 -0.733 1
1 1277 . 3 1 1 A 107 107 PRO CB C 107 31.157 32.203 -1.046 1
1 1280 . 3 1 1 A 107 107 PRO C C 107 178.967 178.154 0.813 1
1 1281 . 3 1 1 A 107 107 PRO HA H 107 4.703 4.598 0.105 1
1 1288 . 3 1 1 A 108 108 MET N N 108 126.300 122.965 3.335 1
1 1289 . 3 1 1 A 108 108 MET CA C 108 56.728 57.608 -0.880 1
1 1290 . 3 1 1 A 108 108 MET CB C 108 32.909 32.238 0.671 1
1 1292 . 3 1 1 A 108 108 MET C C 108 176.858 178.419 -1.561 1
1 1293 . 3 1 1 A 108 108 MET H H 108 8.716 8.635 0.081 1
1 1294 . 3 1 1 A 108 108 MET HA H 108 4.483 4.257 0.226 1
1 1299 . 3 1 1 A 109 109 ASN N N 109 115.600 116.925 -1.325 1
1 1300 . 3 1 1 A 109 109 ASN CA C 109 53.983 55.694 -1.711 1
1 1301 . 3 1 1 A 109 109 ASN CB C 109 36.227 37.142 -0.915 1
1 1302 . 3 1 1 A 109 109 ASN C C 109 175.789 177.315 -1.526 1
1 1303 . 3 1 1 A 109 109 ASN H H 109 8.342 8.848 -0.506 1
1 1304 . 3 1 1 A 109 109 ASN HA H 109 4.564 4.399 0.165 1
1 1310 . 3 1 1 A 110 110 THR N N 110 107.600 108.359 -0.759 1
1 1311 . 3 1 1 A 110 110 THR CA C 110 61.115 62.831 -1.716 1
1 1312 . 3 1 1 A 110 110 THR CB C 110 62.929 69.598 -6.669 1
1 1314 . 3 1 1 A 110 110 THR C C 110 173.508 174.293 -0.785 1
1 1315 . 3 1 1 A 110 110 THR H H 110 7.522 7.644 -0.122 1
1 1316 . 3 1 1 A 110 110 THR HA H 110 4.461 4.280 0.181 1
1 1319 . 3 1 1 A 111 111 VAL N N 111 123.700 122.688 1.012 1
1 1320 . 3 1 1 A 111 111 VAL CA C 111 61.782 60.547 1.235 1
1 1321 . 3 1 1 A 111 111 VAL CB C 111 32.821 32.711 0.110 1
1 1324 . 3 1 1 A 111 111 VAL C C 111 173.903 173.804 0.099 1
1 1325 . 3 1 1 A 111 111 VAL H H 111 6.960 7.392 -0.432 1
1 1326 . 3 1 1 A 111 111 VAL HA H 111 3.703 4.275 -0.572 1
1 1334 . 3 1 1 A 112 112 ASP N N 112 125.800 129.934 -4.134 1
1 1335 . 3 1 1 A 112 112 ASP CA C 112 51.777 52.796 -1.019 1
1 1336 . 3 1 1 A 112 112 ASP CB C 112 40.648 40.772 -0.124 1
1 1337 . 3 1 1 A 112 112 ASP C C 112 175.407 175.797 -0.390 1
1 1338 . 3 1 1 A 112 112 ASP H H 112 8.341 8.752 -0.411 1
1 1339 . 3 1 1 A 112 112 ASP HA H 112 4.719 4.637 0.082 1
1 1342 . 3 1 1 A 113 113 PHE N N 113 122.700 124.937 -2.237 1
1 1343 . 3 1 1 A 113 113 PHE CA C 113 59.887 56.568 3.319 1
1 1344 . 3 1 1 A 113 113 PHE CB C 113 37.999 37.402 0.597 1
1 1345 . 3 1 1 A 113 113 PHE C C 113 175.854 176.468 -0.614 1
1 1346 . 3 1 1 A 113 113 PHE H H 113 8.391 8.591 -0.200 1
1 1347 . 3 1 1 A 113 113 PHE HA H 113 4.670 4.683 -0.013 1
1 1350 . 3 1 1 A 114 114 GLY N N 114 108.608 108.758 -0.150 1
1 1351 . 3 1 1 A 114 114 GLY CA C 114 45.657 46.450 -0.793 1
1 1352 . 3 1 1 A 114 114 GLY C C 114 172.963 175.495 -2.532 1
1 1353 . 3 1 1 A 114 114 GLY H H 114 8.953 8.267 0.686 1
1 1354 . 3 1 1 A 114 114 GLY HA3 H 114 4.018 3.632 0.386 1
1 1355 . 3 1 1 A 114 114 GLY HA2 H 114 3.912 3.134 0.778 1
1 1356 . 3 1 1 A 115 115 HIS N N 115 114.926 121.089 -6.163 1
1 1357 . 3 1 1 A 115 115 HIS CA C 115 53.533 58.109 -4.576 1
1 1358 . 3 1 1 A 115 115 HIS CB C 115 30.349 30.534 -0.185 1
1 1359 . 3 1 1 A 115 115 HIS C C 115 172.453 174.425 -1.972 1
1 1360 . 3 1 1 A 115 115 HIS H H 115 7.510 7.819 -0.309 1
1 1361 . 3 1 1 A 115 115 HIS HA H 115 4.868 4.478 0.390 1
1 1364 . 3 1 1 A 116 116 VAL N N 116 122.100 115.102 6.998 1
1 1365 . 3 1 1 A 116 116 VAL CA C 116 62.992 60.986 2.006 1
1 1366 . 3 1 1 A 116 116 VAL CB C 116 31.850 32.929 -1.079 1
1 1369 . 3 1 1 A 116 116 VAL C C 116 176.352 175.169 1.183 1
1 1370 . 3 1 1 A 116 116 VAL H H 116 8.460 7.686 0.774 1
1 1371 . 3 1 1 A 116 116 VAL HA H 116 4.268 4.139 0.129 1
1 1379 . 3 1 1 A 117 117 THR N N 117 124.700 121.653 3.047 1
1 1380 . 3 1 1 A 117 117 THR CA C 117 61.694 62.792 -1.098 1
1 1381 . 3 1 1 A 117 117 THR CB C 117 70.001 69.721 0.280 1
1 1383 . 3 1 1 A 117 117 THR C C 117 172.762 173.851 -1.089 1
1 1384 . 3 1 1 A 117 117 THR H H 117 8.550 8.224 0.326 1
1 1385 . 3 1 1 A 117 117 THR HA H 117 4.460 4.402 0.058 1
1 1388 . 3 1 1 A 118 118 GLU N N 118 126.000 123.082 2.918 1
1 1389 . 3 1 1 A 118 118 GLU CA C 118 55.038 56.346 -1.308 1
1 1390 . 3 1 1 A 118 118 GLU CB C 118 30.835 30.009 0.826 1
1 1392 . 3 1 1 A 118 118 GLU C C 118 174.419 176.070 -1.651 1
1 1393 . 3 1 1 A 118 118 GLU H H 118 8.382 8.397 -0.015 1
1 1394 . 3 1 1 A 118 118 GLU HA H 118 4.776 4.958 -0.182 1
1 1399 . 3 1 1 A 119 119 GLU N N 119 123.000 121.307 1.693 1
1 1400 . 3 1 1 A 119 119 GLU CA C 119 54.292 54.141 0.151 1
1 1401 . 3 1 1 A 119 119 GLU CB C 119 32.909 34.104 -1.195 1
1 1403 . 3 1 1 A 119 119 GLU C C 119 173.072 175.513 -2.441 1
1 1404 . 3 1 1 A 119 119 GLU H H 119 8.057 8.521 -0.464 1
1 1405 . 3 1 1 A 119 119 GLU HA H 119 4.631 4.015 0.616 1
1 1410 . 3 1 1 A 120 120 TRP N N 120 118.300 121.176 -2.876 1
1 1411 . 3 1 1 A 120 120 TRP C C 120 177.336 175.226 2.110 1
1 1412 . 3 1 1 A 120 120 TRP CA C 120 55.672 56.510 -0.838 1
1 1413 . 3 1 1 A 120 120 TRP CB C 120 31.259 29.666 1.593 1
1 1414 . 3 1 1 A 120 120 TRP H H 120 8.212 8.362 -0.150 1
1 1415 . 3 1 1 A 120 120 TRP HA H 120 5.322 5.119 0.203 1
1 1424 . 3 1 1 A 121 121 ARG N N 121 120.900 126.389 -5.489 1
1 1425 . 3 1 1 A 121 121 ARG CA C 121 53.631 53.559 0.072 1
1 1426 . 3 1 1 A 121 121 ARG CB C 121 32.865 33.821 -0.956 1
1 1429 . 3 1 1 A 121 121 ARG C C 121 174.321 174.575 -0.254 1
1 1430 . 3 1 1 A 121 121 ARG H H 121 9.012 8.978 0.034 1
1 1431 . 3 1 1 A 121 121 ARG HA H 121 4.488 4.974 -0.486 1
1 1438 . 3 1 1 A 122 122 ASP N N 122 121.600 124.730 -3.130 1
1 1439 . 3 1 1 A 122 122 ASP CA C 122 53.795 53.657 0.138 1
1 1440 . 3 1 1 A 122 122 ASP CB C 122 40.544 42.795 -2.251 1
1 1441 . 3 1 1 A 122 122 ASP C C 122 176.041 175.438 0.603 1
1 1442 . 3 1 1 A 122 122 ASP H H 122 8.226 8.524 -0.298 1
1 1443 . 3 1 1 A 122 122 ASP HA H 122 4.791 5.053 -0.262 1
1 1446 . 3 1 1 A 123 123 LEU N N 123 120.700 124.064 -3.364 1
1 1447 . 3 1 1 A 123 123 LEU CA C 123 54.997 54.087 0.910 1
1 1448 . 3 1 1 A 123 123 LEU CB C 123 41.765 42.561 -0.796 1
1 1452 . 3 1 1 A 123 123 LEU C C 123 175.964 176.722 -0.758 1
1 1453 . 3 1 1 A 123 123 LEU H H 123 8.436 8.112 0.324 1
1 1454 . 3 1 1 A 123 123 LEU HA H 123 4.125 4.772 -0.647 1
1 1464 . 3 1 1 A 124 124 GLN N N 124 119.200 124.737 -5.537 1
1 1466 . 3 1 1 A 124 124 GLN CA C 124 53.278 54.924 -1.646 1
1 1467 . 3 1 1 A 124 124 GLN CB C 124 31.232 30.441 0.791 1
1 1469 . 3 1 1 A 124 124 GLN C C 124 175.183 174.946 0.237 1
1 1470 . 3 1 1 A 124 124 GLN H H 124 9.020 9.144 -0.124 1
1 1471 . 3 1 1 A 124 124 GLN HA H 124 4.738 5.051 -0.313 1
1 1478 . 3 1 1 A 125 125 SER N N 125 115.300 118.700 -3.400 1
1 1479 . 3 1 1 A 125 125 SER H H 125 8.543 8.873 -0.330 1
1 1480 . 3 1 1 A 125 125 SER CA C 125 58.477 57.809 0.668 1
1 1481 . 3 1 1 A 125 125 SER CB C 125 63.274 63.409 -0.135 1
1 1482 . 3 1 1 A 125 125 SER C C 125 174.609 174.028 0.581 1
1 1483 . 3 1 1 A 125 125 SER HA H 125 4.235 4.726 -0.491 1
1 1486 . 3 1 1 A 126 126 ALA N N 126 126.900 129.729 -2.829 1
1 1487 . 3 1 1 A 126 126 ALA CA C 126 51.636 50.443 1.193 1
1 1488 . 3 1 1 A 126 126 ALA CB C 126 19.845 21.136 -1.291 1
1 1489 . 3 1 1 A 126 126 ALA C C 126 176.876 176.698 0.178 1
1 1490 . 3 1 1 A 126 126 ALA H H 126 8.640 8.933 -0.293 1
1 1491 . 3 1 1 A 126 126 ALA HA H 126 4.216 5.187 -0.971 1
1 1495 . 3 1 1 A 127 127 GLU N N 127 120.600 122.701 -2.101 1
1 1496 . 3 1 1 A 127 127 GLU CA C 127 56.142 54.877 1.265 1
1 1497 . 3 1 1 A 127 127 GLU CB C 127 29.996 30.424 -0.428 1
1 1499 . 3 1 1 A 127 127 GLU C C 127 175.129 175.022 0.107 1
1 1500 . 3 1 1 A 127 127 GLU H H 127 8.204 8.947 -0.743 1
1 1501 . 3 1 1 A 127 127 GLU HA H 127 4.176 4.748 -0.572 1
1 12 . 4 1 1 A 2 2 LYS N N 2 123.200 123.890 -0.690 1
1 13 . 4 1 1 A 2 2 LYS CA C 2 55.550 54.876 0.674 1
1 14 . 4 1 1 A 2 2 LYS CB C 2 31.730 32.905 -1.175 1
1 18 . 4 1 1 A 2 2 LYS H H 2 8.320 9.066 -0.746 1
1 19 . 4 1 1 A 2 2 LYS C C 2 176.041 176.412 -0.371 1
1 20 . 4 1 1 A 2 2 LYS HA H 2 4.413 4.687 -0.274 1
1 29 . 4 1 1 A 3 3 LEU N N 3 124.700 126.167 -1.467 1
1 30 . 4 1 1 A 3 3 LEU CA C 3 53.800 56.525 -2.725 1
1 31 . 4 1 1 A 3 3 LEU CB C 3 43.351 42.881 0.470 1
1 35 . 4 1 1 A 3 3 LEU C C 3 173.289 177.393 -4.104 1
1 36 . 4 1 1 A 3 3 LEU H H 3 8.319 8.806 -0.487 1
1 37 . 4 1 1 A 3 3 LEU HA H 3 4.363 5.351 -0.988 1
1 47 . 4 1 1 A 4 4 GLY N N 4 102.100 106.863 -4.763 1
1 48 . 4 1 1 A 4 4 GLY CA C 4 44.232 45.093 -0.861 1
1 49 . 4 1 1 A 4 4 GLY C C 4 174.476 172.977 1.499 1
1 50 . 4 1 1 A 4 4 GLY H H 4 7.412 7.877 -0.465 1
1 51 . 4 1 1 A 4 4 GLY HA3 H 4 4.367 4.010 0.357 1
1 52 . 4 1 1 A 4 4 GLY HA2 H 4 3.662 4.006 -0.344 1
1 53 . 4 1 1 A 5 5 LYS N N 5 114.993 120.280 -5.287 1
1 54 . 4 1 1 A 5 5 LYS CA C 5 54.807 54.526 0.281 1
1 55 . 4 1 1 A 5 5 LYS CB C 5 36.664 36.486 0.178 1
1 59 . 4 1 1 A 5 5 LYS C C 5 173.762 174.591 -0.829 1
1 60 . 4 1 1 A 5 5 LYS H H 5 8.748 8.444 0.304 1
1 61 . 4 1 1 A 5 5 LYS HA H 5 5.333 5.183 0.150 1
1 70 . 4 1 1 A 6 6 LEU N N 6 122.195 124.242 -2.047 1
1 71 . 4 1 1 A 6 6 LEU CA C 6 53.760 53.651 0.109 1
1 72 . 4 1 1 A 6 6 LEU CB C 6 47.948 44.505 3.443 1
1 76 . 4 1 1 A 6 6 LEU C C 6 172.524 174.683 -2.159 1
1 77 . 4 1 1 A 6 6 LEU H H 6 9.058 9.704 -0.646 1
1 78 . 4 1 1 A 6 6 LEU HA H 6 5.312 6.360 -1.048 1
1 88 . 4 1 1 A 7 7 GLN N N 7 127.800 126.804 0.996 1
1 90 . 4 1 1 A 7 7 GLN CA C 7 52.595 55.051 -2.456 1
1 91 . 4 1 1 A 7 7 GLN CB C 7 28.032 29.331 -1.299 1
1 93 . 4 1 1 A 7 7 GLN C C 7 173.707 175.283 -1.576 1
1 94 . 4 1 1 A 7 7 GLN H H 7 8.945 8.367 0.578 1
1 95 . 4 1 1 A 7 7 GLN HA H 7 5.170 5.269 -0.099 1
1 102 . 4 1 1 A 8 8 TYR N N 8 125.700 123.204 2.496 1
1 103 . 4 1 1 A 8 8 TYR CA C 8 54.578 57.469 -2.891 1
1 104 . 4 1 1 A 8 8 TYR CB C 8 42.236 40.426 1.810 1
1 105 . 4 1 1 A 8 8 TYR C C 8 171.582 173.915 -2.333 1
1 106 . 4 1 1 A 8 8 TYR H H 8 8.445 8.505 -0.060 1
1 107 . 4 1 1 A 8 8 TYR HA H 8 5.401 5.027 0.374 1
1 110 . 4 1 1 A 9 9 SER N N 9 113.300 114.988 -1.688 1
1 111 . 4 1 1 A 9 9 SER H H 9 9.486 8.500 0.986 1
1 112 . 4 1 1 A 9 9 SER CA C 9 55.195 56.507 -1.312 1
1 113 . 4 1 1 A 9 9 SER CB C 9 67.116 65.190 1.926 1
1 114 . 4 1 1 A 9 9 SER C C 9 173.486 173.108 0.378 1
1 115 . 4 1 1 A 9 9 SER HA H 9 5.400 5.601 -0.201 1
1 118 . 4 1 1 A 10 10 LEU N N 10 120.700 126.945 -6.245 1
1 119 . 4 1 1 A 10 10 LEU CA C 10 53.388 53.606 -0.218 1
1 120 . 4 1 1 A 10 10 LEU CB C 10 46.946 44.019 2.927 1
1 121 . 4 1 1 A 10 10 LEU C C 10 174.640 175.173 -0.533 1
1 125 . 4 1 1 A 10 10 LEU H H 10 8.698 9.886 -1.188 1
1 126 . 4 1 1 A 10 10 LEU HA H 10 5.471 5.031 0.440 1
1 136 . 4 1 1 A 11 11 ASP N N 11 119.760 125.339 -5.579 1
1 137 . 4 1 1 A 11 11 ASP CA C 11 52.525 52.627 -0.102 1
1 138 . 4 1 1 A 11 11 ASP CB C 11 44.683 45.172 -0.489 1
1 139 . 4 1 1 A 11 11 ASP C C 11 173.093 173.816 -0.723 1
1 140 . 4 1 1 A 11 11 ASP H H 11 8.673 8.778 -0.105 1
1 141 . 4 1 1 A 11 11 ASP HA H 11 5.126 5.455 -0.329 1
1 144 . 4 1 1 A 12 12 TYR N N 12 124.200 122.341 1.859 1
1 145 . 4 1 1 A 12 12 TYR CA C 12 57.883 57.640 0.243 1
1 146 . 4 1 1 A 12 12 TYR CB C 12 40.054 41.797 -1.743 1
1 147 . 4 1 1 A 12 12 TYR C C 12 171.962 172.894 -0.932 1
1 148 . 4 1 1 A 12 12 TYR H H 12 8.898 8.815 0.083 1
1 149 . 4 1 1 A 12 12 TYR HA H 12 4.609 5.152 -0.543 1
1 154 . 4 1 1 A 13 13 ASP N N 13 126.400 129.212 -2.812 1
1 155 . 4 1 1 A 13 13 ASP CA C 13 51.141 52.470 -1.329 1
1 156 . 4 1 1 A 13 13 ASP CB C 13 40.891 41.740 -0.849 1
1 157 . 4 1 1 A 13 13 ASP C C 13 175.599 176.138 -0.539 1
1 158 . 4 1 1 A 13 13 ASP H H 13 8.018 8.519 -0.501 1
1 159 . 4 1 1 A 13 13 ASP HA H 13 4.591 4.524 0.067 1
1 162 . 4 1 1 A 14 14 PHE N N 14 123.575 123.686 -0.111 1
1 163 . 4 1 1 A 14 14 PHE CA C 14 60.734 58.051 2.683 1
1 164 . 4 1 1 A 14 14 PHE CB C 14 38.821 38.516 0.305 1
1 165 . 4 1 1 A 14 14 PHE C C 14 176.704 175.984 0.720 1
1 166 . 4 1 1 A 14 14 PHE H H 14 8.540 7.586 0.954 1
1 167 . 4 1 1 A 14 14 PHE HA H 14 4.187 3.802 0.385 1
1 170 . 4 1 1 A 15 15 GLN N N 15 118.500 117.140 1.360 1
1 172 . 4 1 1 A 15 15 GLN CA C 15 57.927 55.920 2.007 1
1 173 . 4 1 1 A 15 15 GLN CB C 15 28.129 27.766 0.363 1
1 175 . 4 1 1 A 15 15 GLN C C 15 176.646 176.669 -0.023 1
1 176 . 4 1 1 A 15 15 GLN H H 15 8.307 7.045 1.262 1
1 177 . 4 1 1 A 15 15 GLN HA H 15 4.150 4.216 -0.066 1
1 184 . 4 1 1 A 16 16 ASN N N 16 113.392 116.633 -3.241 1
1 185 . 4 1 1 A 16 16 ASN CA C 16 52.051 51.894 0.157 1
1 186 . 4 1 1 A 16 16 ASN CB C 16 39.238 37.999 1.239 1
1 187 . 4 1 1 A 16 16 ASN C C 16 173.191 175.528 -2.337 1
1 188 . 4 1 1 A 16 16 ASN H H 16 7.347 7.365 -0.018 1
1 189 . 4 1 1 A 16 16 ASN HA H 16 4.682 4.692 -0.010 1
1 195 . 4 1 1 A 17 17 ASN N N 17 118.200 116.690 1.510 1
1 196 . 4 1 1 A 17 17 ASN CA C 17 54.524 54.163 0.361 1
1 197 . 4 1 1 A 17 17 ASN CB C 17 36.825 37.348 -0.523 1
1 198 . 4 1 1 A 17 17 ASN C C 17 175.797 174.182 1.615 1
1 199 . 4 1 1 A 17 17 ASN H H 17 7.682 8.101 -0.419 1
1 200 . 4 1 1 A 17 17 ASN HA H 17 4.300 4.562 -0.262 1
1 206 . 4 1 1 A 18 18 GLN N N 18 110.518 115.157 -4.639 1
1 208 . 4 1 1 A 18 18 GLN CA C 18 52.888 54.161 -1.273 1
1 209 . 4 1 1 A 18 18 GLN CB C 18 31.353 31.922 -0.569 1
1 211 . 4 1 1 A 18 18 GLN C C 18 171.717 174.154 -2.437 1
1 212 . 4 1 1 A 18 18 GLN H H 18 6.757 7.667 -0.910 1
1 213 . 4 1 1 A 18 18 GLN HA H 18 4.911 5.089 -0.178 1
1 220 . 4 1 1 A 19 19 LEU N N 19 124.400 124.310 0.090 1
1 221 . 4 1 1 A 19 19 LEU CA C 19 53.873 54.212 -0.339 1
1 222 . 4 1 1 A 19 19 LEU CB C 19 44.558 42.904 1.654 1
1 226 . 4 1 1 A 19 19 LEU C C 19 173.731 175.515 -1.784 1
1 227 . 4 1 1 A 19 19 LEU H H 19 9.048 8.251 0.797 1
1 228 . 4 1 1 A 19 19 LEU HA H 19 4.543 4.812 -0.269 1
1 238 . 4 1 1 A 20 20 LEU N N 20 128.415 121.137 7.278 1
1 239 . 4 1 1 A 20 20 LEU CA C 20 53.695 53.296 0.399 1
1 240 . 4 1 1 A 20 20 LEU CB C 20 41.956 45.583 -3.627 1
1 244 . 4 1 1 A 20 20 LEU C C 20 175.696 174.822 0.874 1
1 245 . 4 1 1 A 20 20 LEU H H 20 9.021 8.943 0.078 1
1 246 . 4 1 1 A 20 20 LEU HA H 20 4.852 4.564 0.288 1
1 256 . 4 1 1 A 21 21 VAL N N 21 125.838 124.371 1.467 1
1 257 . 4 1 1 A 21 21 VAL CA C 21 60.511 60.830 -0.319 1
1 258 . 4 1 1 A 21 21 VAL CB C 21 45.331 32.769 12.562 1
1 260 . 4 1 1 A 21 21 VAL C C 21 173.979 174.391 -0.412 1
1 261 . 4 1 1 A 21 21 VAL H H 21 9.073 8.646 0.427 1
1 262 . 4 1 1 A 21 21 VAL HA H 21 4.853 4.506 0.347 1
1 270 . 4 1 1 A 22 22 GLY N N 22 117.254 116.097 1.157 1
1 271 . 4 1 1 A 22 22 GLY CA C 22 43.843 46.608 -2.765 1
1 272 . 4 1 1 A 22 22 GLY C C 22 172.485 174.251 -1.766 1
1 273 . 4 1 1 A 22 22 GLY H H 22 9.486 8.466 1.020 1
1 274 . 4 1 1 A 22 22 GLY HA3 H 22 4.653 4.042 0.611 1
1 275 . 4 1 1 A 22 22 GLY HA2 H 22 3.520 4.000 -0.480 1
1 276 . 4 1 1 A 23 23 ILE N N 23 125.106 121.211 3.895 1
1 277 . 4 1 1 A 23 23 ILE CA C 23 58.182 59.648 -1.466 1
1 278 . 4 1 1 A 23 23 ILE CB C 23 35.290 38.338 -3.048 1
1 282 . 4 1 1 A 23 23 ILE C C 23 174.346 175.925 -1.579 1
1 283 . 4 1 1 A 23 23 ILE H H 23 8.831 7.880 0.951 1
1 284 . 4 1 1 A 23 23 ILE HA H 23 4.330 4.892 -0.562 1
1 294 . 4 1 1 A 24 24 ILE N N 24 126.735 121.122 5.613 1
1 295 . 4 1 1 A 24 24 ILE CA C 24 65.005 62.659 2.346 1
1 296 . 4 1 1 A 24 24 ILE CB C 24 37.790 38.279 -0.489 1
1 300 . 4 1 1 A 24 24 ILE C C 24 177.149 176.171 0.978 1
1 301 . 4 1 1 A 24 24 ILE H H 24 8.365 8.367 -0.002 1
1 302 . 4 1 1 A 24 24 ILE HA H 24 3.903 4.042 -0.139 1
1 312 . 4 1 1 A 25 25 GLN N N 25 110.662 114.620 -3.958 1
1 314 . 4 1 1 A 25 25 GLN CA C 25 54.295 54.420 -0.125 1
1 315 . 4 1 1 A 25 25 GLN CB C 25 30.953 32.213 -1.260 1
1 317 . 4 1 1 A 25 25 GLN C C 25 171.152 173.368 -2.216 1
1 318 . 4 1 1 A 25 25 GLN H H 25 7.706 7.642 0.064 1
1 319 . 4 1 1 A 25 25 GLN HA H 25 5.123 4.706 0.417 1
1 325 . 4 1 1 A 26 26 ALA N N 26 121.300 123.071 -1.771 1
1 326 . 4 1 1 A 26 26 ALA CA C 26 49.951 50.135 -0.184 1
1 327 . 4 1 1 A 26 26 ALA CB C 26 22.406 22.327 0.079 1
1 328 . 4 1 1 A 26 26 ALA C C 26 171.937 175.870 -3.933 1
1 329 . 4 1 1 A 26 26 ALA H H 26 9.195 8.230 0.965 1
1 330 . 4 1 1 A 26 26 ALA HA H 26 5.740 5.789 -0.049 1
1 334 . 4 1 1 A 27 27 ALA N N 27 120.100 121.587 -1.487 1
1 335 . 4 1 1 A 27 27 ALA CA C 27 50.524 50.715 -0.191 1
1 336 . 4 1 1 A 27 27 ALA CB C 27 24.047 21.570 2.477 1
1 337 . 4 1 1 A 27 27 ALA C C 27 174.984 176.875 -1.891 1
1 338 . 4 1 1 A 27 27 ALA H H 27 9.118 8.562 0.556 1
1 339 . 4 1 1 A 27 27 ALA HA H 27 5.353 4.807 0.546 1
1 343 . 4 1 1 A 28 28 GLU N N 28 112.600 118.879 -6.279 1
1 344 . 4 1 1 A 28 28 GLU CA C 28 56.032 57.368 -1.336 1
1 345 . 4 1 1 A 28 28 GLU CB C 28 25.966 27.610 -1.644 1
1 347 . 4 1 1 A 28 28 GLU C C 28 174.427 175.401 -0.974 1
1 348 . 4 1 1 A 28 28 GLU H H 28 8.453 8.462 -0.009 1
1 349 . 4 1 1 A 28 28 GLU HA H 28 3.648 3.820 -0.172 1
1 354 . 4 1 1 A 29 29 LEU N N 29 116.093 120.284 -4.191 1
1 355 . 4 1 1 A 29 29 LEU CA C 29 53.295 52.700 0.595 1
1 356 . 4 1 1 A 29 29 LEU CB C 29 39.640 41.094 -1.454 1
1 360 . 4 1 1 A 29 29 LEU C C 29 173.800 174.472 -0.672 1
1 361 . 4 1 1 A 29 29 LEU H H 29 7.951 8.171 -0.220 1
1 362 . 4 1 1 A 29 29 LEU HA H 29 4.330 4.682 -0.352 1
1 372 . 4 1 1 A 30 30 PRO CA C 30 61.760 62.545 -0.785 1
1 373 . 4 1 1 A 30 30 PRO CB C 30 31.492 31.900 -0.408 1
1 376 . 4 1 1 A 30 30 PRO C C 30 175.525 176.588 -1.063 1
1 377 . 4 1 1 A 30 30 PRO HA H 30 4.327 4.538 -0.211 1
1 383 . 4 1 1 A 31 31 ALA N N 31 122.487 124.088 -1.601 1
1 384 . 4 1 1 A 31 31 ALA CA C 31 50.604 52.376 -1.772 1
1 385 . 4 1 1 A 31 31 ALA CB C 31 18.576 19.570 -0.994 1
1 386 . 4 1 1 A 31 31 ALA C C 31 177.222 177.331 -0.109 1
1 387 . 4 1 1 A 31 31 ALA H H 31 8.128 8.269 -0.141 1
1 388 . 4 1 1 A 31 31 ALA HA H 31 4.130 4.479 -0.349 1
1 392 . 4 1 1 A 32 32 LEU N N 32 124.400 123.487 0.913 1
1 393 . 4 1 1 A 32 32 LEU CA C 32 55.041 53.798 1.243 1
1 394 . 4 1 1 A 32 32 LEU CB C 32 42.916 42.007 0.909 1
1 398 . 4 1 1 A 32 32 LEU C C 32 176.852 174.766 2.086 1
1 399 . 4 1 1 A 32 32 LEU H H 32 8.035 8.813 -0.778 1
1 400 . 4 1 1 A 32 32 LEU HA H 32 4.240 4.615 -0.375 1
1 410 . 4 1 1 A 33 33 ASP N N 33 119.800 120.108 -0.308 1
1 411 . 4 1 1 A 33 33 ASP CA C 33 52.948 53.278 -0.330 1
1 412 . 4 1 1 A 33 33 ASP CB C 33 41.578 44.916 -3.338 1
1 413 . 4 1 1 A 33 33 ASP C C 33 176.200 174.575 1.625 1
1 414 . 4 1 1 A 33 33 ASP H H 33 8.400 7.484 0.916 1
1 415 . 4 1 1 A 33 33 ASP HA H 33 4.785 5.031 -0.246 1
1 418 . 4 1 1 A 34 34 MET N N 34 120.000 121.511 -1.511 1
1 419 . 4 1 1 A 34 34 MET CA C 34 56.561 54.947 1.614 1
1 420 . 4 1 1 A 34 34 MET CB C 34 31.288 30.545 0.743 1
1 422 . 4 1 1 A 34 34 MET C C 34 176.483 176.222 0.261 1
1 423 . 4 1 1 A 34 34 MET H H 34 8.492 8.656 -0.164 1
1 424 . 4 1 1 A 34 34 MET HA H 34 4.213 4.618 -0.405 1
1 429 . 4 1 1 A 35 35 GLY N N 35 110.400 108.891 1.509 1
1 430 . 4 1 1 A 35 35 GLY CA C 35 44.884 45.375 -0.491 1
1 431 . 4 1 1 A 35 35 GLY C C 35 174.831 175.132 -0.301 1
1 432 . 4 1 1 A 35 35 GLY H H 35 8.668 8.263 0.405 1
1 433 . 4 1 1 A 35 35 GLY HA3 H 35 4.039 4.124 -0.085 1
1 434 . 4 1 1 A 35 35 GLY HA2 H 35 3.818 4.116 -0.298 1
1 435 . 4 1 1 A 36 36 GLY N N 36 107.400 109.619 -2.219 1
1 436 . 4 1 1 A 36 36 GLY CA C 36 45.427 46.630 -1.203 1
1 437 . 4 1 1 A 36 36 GLY C C 36 173.194 173.602 -0.408 1
1 438 . 4 1 1 A 36 36 GLY H H 36 8.008 7.723 0.285 1
1 439 . 4 1 1 A 36 36 GLY HA3 H 36 4.000 3.943 0.057 1
1 440 . 4 1 1 A 36 36 GLY HA2 H 36 3.861 3.943 -0.082 1
1 441 . 4 1 1 A 37 37 THR N N 37 111.100 110.424 0.676 1
1 442 . 4 1 1 A 37 37 THR CA C 37 59.954 59.661 0.293 1
1 443 . 4 1 1 A 37 37 THR CB C 37 70.589 72.718 -2.129 1
1 445 . 4 1 1 A 37 37 THR C C 37 171.355 172.705 -1.350 1
1 446 . 4 1 1 A 37 37 THR H H 37 7.476 7.533 -0.057 1
1 447 . 4 1 1 A 37 37 THR HA H 37 4.511 5.051 -0.540 1
1 450 . 4 1 1 A 38 38 SER N N 38 115.811 116.499 -0.688 1
1 451 . 4 1 1 A 38 38 SER CA C 38 57.664 56.380 1.284 1
1 452 . 4 1 1 A 38 38 SER CB C 38 70.510 66.729 3.781 1
1 453 . 4 1 1 A 38 38 SER C C 38 170.198 172.805 -2.607 1
1 454 . 4 1 1 A 38 38 SER H H 38 7.257 9.118 -1.861 1
1 455 . 4 1 1 A 38 38 SER HA H 38 4.707 5.672 -0.965 1
1 458 . 4 1 1 A 39 39 ASP N N 39 121.288 123.382 -2.094 1
1 459 . 4 1 1 A 39 39 ASP CA C 39 51.058 51.673 -0.615 1
1 460 . 4 1 1 A 39 39 ASP CB C 39 42.210 41.961 0.249 1
1 461 . 4 1 1 A 39 39 ASP C C 39 172.500 173.658 -1.158 1
1 462 . 4 1 1 A 39 39 ASP H H 39 8.698 8.971 -0.273 1
1 463 . 4 1 1 A 39 39 ASP HA H 39 5.940 6.173 -0.233 1
1 466 . 4 1 1 A 40 40 PRO CA C 40 62.440 63.273 -0.833 1
1 467 . 4 1 1 A 40 40 PRO CB C 40 34.370 32.496 1.874 1
1 470 . 4 1 1 A 40 40 PRO C C 40 176.317 175.230 1.087 1
1 471 . 4 1 1 A 40 40 PRO HA H 40 5.826 4.646 1.180 1
1 478 . 4 1 1 A 41 41 TYR N N 41 113.769 123.984 -10.215 1
1 479 . 4 1 1 A 41 41 TYR CA C 41 56.150 58.255 -2.105 1
1 480 . 4 1 1 A 41 41 TYR CB C 41 40.246 41.880 -1.634 1
1 481 . 4 1 1 A 41 41 TYR C C 41 171.425 173.480 -2.055 1
1 482 . 4 1 1 A 41 41 TYR H H 41 8.703 8.849 -0.146 1
1 483 . 4 1 1 A 41 41 TYR HA H 41 4.795 4.935 -0.140 1
1 487 . 4 1 1 A 42 42 VAL N N 42 119.919 127.369 -7.450 1
1 488 . 4 1 1 A 42 42 VAL CA C 42 60.064 61.523 -1.459 1
1 489 . 4 1 1 A 42 42 VAL CB C 42 33.816 32.308 1.508 1
1 492 . 4 1 1 A 42 42 VAL C C 42 174.456 174.877 -0.421 1
1 493 . 4 1 1 A 42 42 VAL HA H 42 5.020 4.687 0.333 1
1 501 . 4 1 1 A 43 43 LYS N N 43 125.776 127.399 -1.623 1
1 502 . 4 1 1 A 43 43 LYS CA C 43 54.601 55.404 -0.803 1
1 503 . 4 1 1 A 43 43 LYS CB C 43 36.096 32.526 3.570 1
1 507 . 4 1 1 A 43 43 LYS C C 43 174.518 174.543 -0.025 1
1 508 . 4 1 1 A 43 43 LYS H H 43 9.415 9.300 0.115 1
1 509 . 4 1 1 A 43 43 LYS HA H 43 5.374 4.311 1.063 1
1 518 . 4 1 1 A 44 44 VAL N N 44 121.484 124.832 -3.348 1
1 519 . 4 1 1 A 44 44 VAL CA C 44 59.365 59.721 -0.356 1
1 520 . 4 1 1 A 44 44 VAL CB C 44 34.818 33.457 1.361 1
1 523 . 4 1 1 A 44 44 VAL C C 44 173.928 174.478 -0.550 1
1 524 . 4 1 1 A 44 44 VAL H H 44 8.845 8.410 0.435 1
1 525 . 4 1 1 A 44 44 VAL HA H 44 5.326 4.350 0.976 1
1 533 . 4 1 1 A 45 45 PHE N N 45 120.600 125.867 -5.267 1
1 534 . 4 1 1 A 45 45 PHE CA C 45 55.886 56.139 -0.253 1
1 535 . 4 1 1 A 45 45 PHE CB C 45 39.882 44.301 -4.419 1
1 536 . 4 1 1 A 45 45 PHE C C 45 171.102 174.625 -3.523 1
1 537 . 4 1 1 A 45 45 PHE H H 45 8.254 9.430 -1.176 1
1 538 . 4 1 1 A 45 45 PHE HA H 45 4.971 5.247 -0.276 1
1 541 . 4 1 1 A 46 46 LEU N N 46 121.444 120.250 1.194 1
1 542 . 4 1 1 A 46 46 LEU CA C 46 52.376 53.497 -1.121 1
1 543 . 4 1 1 A 46 46 LEU CB C 46 43.229 45.418 -2.189 1
1 547 . 4 1 1 A 46 46 LEU C C 46 176.176 176.703 -0.527 1
1 548 . 4 1 1 A 46 46 LEU H H 46 9.137 8.949 0.188 1
1 549 . 4 1 1 A 46 46 LEU HA H 46 4.189 5.234 -1.045 1
1 559 . 4 1 1 A 47 47 LEU N N 47 123.900 120.416 3.484 1
1 560 . 4 1 1 A 47 47 LEU CA C 47 52.926 53.176 -0.250 1
1 561 . 4 1 1 A 47 47 LEU CB C 47 41.010 42.787 -1.777 1
1 565 . 4 1 1 A 47 47 LEU C C 47 175.800 178.137 -2.337 1
1 566 . 4 1 1 A 47 47 LEU H H 47 8.945 8.064 0.881 1
1 567 . 4 1 1 A 47 47 LEU HA H 47 4.185 4.651 -0.466 1
1 577 . 4 1 1 A 48 48 PRO CA C 48 62.992 65.806 -2.814 1
1 578 . 4 1 1 A 48 48 PRO CB C 48 24.080 31.727 -7.647 1
1 581 . 4 1 1 A 48 48 PRO C C 48 176.188 177.769 -1.581 1
1 582 . 4 1 1 A 48 48 PRO HA H 48 4.474 4.161 0.313 1
1 588 . 4 1 1 A 49 49 ASP N N 49 113.800 117.063 -3.263 1
1 589 . 4 1 1 A 49 49 ASP CA C 49 55.199 57.077 -1.878 1
1 590 . 4 1 1 A 49 49 ASP CB C 49 40.158 40.709 -0.551 1
1 591 . 4 1 1 A 49 49 ASP C C 49 175.304 176.045 -0.741 1
1 592 . 4 1 1 A 49 49 ASP H H 49 8.467 8.122 0.345 1
1 593 . 4 1 1 A 49 49 ASP HA H 49 4.576 4.382 0.194 1
1 596 . 4 1 1 A 50 50 LYS N N 50 120.081 118.860 1.221 1
1 597 . 4 1 1 A 50 50 LYS CA C 50 56.803 57.112 -0.309 1
1 598 . 4 1 1 A 50 50 LYS CB C 50 32.059 30.666 1.393 1
1 602 . 4 1 1 A 50 50 LYS H H 50 8.329 8.059 0.270 1
1 603 . 4 1 1 A 50 50 LYS HA H 50 3.949 3.978 -0.029 1
1 604 . 4 1 1 A 50 50 LYS C C 50 175.754 176.663 -0.909 1
1 613 . 4 1 1 A 51 51 LYS N N 51 117.896 117.761 0.135 1
1 614 . 4 1 1 A 51 51 LYS CA C 51 57.360 56.227 1.133 1
1 615 . 4 1 1 A 51 51 LYS CB C 51 32.230 32.491 -0.261 1
1 619 . 4 1 1 A 51 51 LYS H H 51 8.099 8.266 -0.167 1
1 620 . 4 1 1 A 51 51 LYS HA H 51 3.950 4.415 -0.465 1
1 621 . 4 1 1 A 51 51 LYS C C 51 176.619 175.652 0.967 1
1 630 . 4 1 1 A 52 52 LYS N N 52 120.200 117.169 3.031 1
1 631 . 4 1 1 A 52 52 LYS CA C 52 54.688 55.254 -0.566 1
1 632 . 4 1 1 A 52 52 LYS CB C 52 31.829 32.934 -1.105 1
1 636 . 4 1 1 A 52 52 LYS H H 52 7.447 7.879 -0.432 1
1 637 . 4 1 1 A 52 52 LYS HA H 52 4.259 4.944 -0.685 1
1 638 . 4 1 1 A 52 52 LYS C C 52 173.420 174.866 -1.446 1
1 647 . 4 1 1 A 53 53 LYS N N 53 123.119 126.751 -3.632 1
1 648 . 4 1 1 A 53 53 LYS CA C 53 53.698 55.653 -1.955 1
1 649 . 4 1 1 A 53 53 LYS CB C 53 41.592 33.378 8.214 1
1 653 . 4 1 1 A 53 53 LYS H H 53 7.810 9.160 -1.350 1
1 654 . 4 1 1 A 53 53 LYS HA H 53 5.004 5.198 -0.194 1
1 655 . 4 1 1 A 53 53 LYS C C 53 174.468 175.188 -0.720 1
1 664 . 4 1 1 A 54 54 PHE N N 54 120.200 126.701 -6.501 1
1 665 . 4 1 1 A 54 54 PHE CA C 54 56.583 56.718 -0.135 1
1 666 . 4 1 1 A 54 54 PHE CB C 54 42.110 43.233 -1.123 1
1 667 . 4 1 1 A 54 54 PHE C C 54 173.801 174.686 -0.885 1
1 668 . 4 1 1 A 54 54 PHE H H 54 8.490 8.836 -0.346 1
1 669 . 4 1 1 A 54 54 PHE HA H 54 4.680 5.404 -0.724 1
1 672 . 4 1 1 A 55 55 GLU N N 55 117.600 120.890 -3.290 1
1 673 . 4 1 1 A 55 55 GLU CA C 55 53.537 55.556 -2.019 1
1 674 . 4 1 1 A 55 55 GLU CB C 55 33.241 33.115 0.126 1
1 676 . 4 1 1 A 55 55 GLU C C 55 176.694 175.511 1.183 1
1 677 . 4 1 1 A 55 55 GLU H H 55 8.309 8.954 -0.645 1
1 678 . 4 1 1 A 55 55 GLU HA H 55 5.690 5.034 0.656 1
1 683 . 4 1 1 A 56 56 THR N N 56 111.700 122.236 -10.536 1
1 684 . 4 1 1 A 56 56 THR CA C 56 60.989 62.585 -1.596 1
1 685 . 4 1 1 A 56 56 THR CB C 56 71.860 69.495 2.365 1
1 687 . 4 1 1 A 56 56 THR C C 56 174.385 174.133 0.252 1
1 688 . 4 1 1 A 56 56 THR H H 56 8.775 9.115 -0.340 1
1 689 . 4 1 1 A 56 56 THR HA H 56 4.838 4.339 0.499 1
1 692 . 4 1 1 A 57 57 LYS N N 57 119.500 124.119 -4.619 1
1 693 . 4 1 1 A 57 57 LYS CA C 57 56.775 56.114 0.661 1
1 694 . 4 1 1 A 57 57 LYS CB C 57 32.743 32.895 -0.152 1
1 698 . 4 1 1 A 57 57 LYS H H 57 9.787 7.569 2.218 1
1 699 . 4 1 1 A 57 57 LYS HA H 57 4.151 4.075 0.076 1
1 700 . 4 1 1 A 57 57 LYS C C 57 177.417 175.738 1.679 1
1 709 . 4 1 1 A 58 58 VAL N N 58 123.100 121.588 1.512 1
1 710 . 4 1 1 A 58 58 VAL CA C 58 61.870 61.610 0.260 1
1 711 . 4 1 1 A 58 58 VAL CB C 58 32.081 32.476 -0.395 1
1 714 . 4 1 1 A 58 58 VAL C C 58 176.850 175.325 1.525 1
1 715 . 4 1 1 A 58 58 VAL H H 58 8.120 8.248 -0.128 1
1 716 . 4 1 1 A 58 58 VAL HA H 58 4.284 4.053 0.231 1
1 724 . 4 1 1 A 59 59 HIS N N 59 128.800 124.867 3.933 1
1 725 . 4 1 1 A 59 59 HIS CA C 59 54.311 54.907 -0.596 1
1 726 . 4 1 1 A 59 59 HIS CB C 59 30.426 29.262 1.164 1
1 727 . 4 1 1 A 59 59 HIS C C 59 172.101 174.925 -2.824 1
1 728 . 4 1 1 A 59 59 HIS H H 59 8.550 8.472 0.078 1
1 729 . 4 1 1 A 59 59 HIS HA H 59 4.457 4.955 -0.498 1
1 732 . 4 1 1 A 60 60 ARG N N 60 118.700 123.555 -4.855 1
1 733 . 4 1 1 A 60 60 ARG CA C 60 55.702 56.377 -0.675 1
1 734 . 4 1 1 A 60 60 ARG CB C 60 30.713 30.314 0.399 1
1 737 . 4 1 1 A 60 60 ARG C C 60 176.252 176.053 0.199 1
1 738 . 4 1 1 A 60 60 ARG H H 60 8.211 8.666 -0.455 1
1 739 . 4 1 1 A 60 60 ARG HA H 60 4.389 4.186 0.203 1
1 746 . 4 1 1 A 61 61 LYS N N 61 122.500 118.007 4.493 1
1 747 . 4 1 1 A 61 61 LYS CA C 61 55.977 57.086 -1.109 1
1 748 . 4 1 1 A 61 61 LYS CB C 61 29.711 29.562 0.149 1
1 752 . 4 1 1 A 61 61 LYS H H 61 9.608 9.108 0.500 1
1 753 . 4 1 1 A 61 61 LYS HA H 61 3.946 4.092 -0.146 1
1 754 . 4 1 1 A 61 61 LYS C C 61 175.083 174.876 0.207 1
1 763 . 4 1 1 A 62 62 THR N N 62 113.400 108.694 4.706 1
1 764 . 4 1 1 A 62 62 THR CA C 62 59.755 60.253 -0.498 1
1 765 . 4 1 1 A 62 62 THR CB C 62 63.417 71.779 -8.362 1
1 767 . 4 1 1 A 62 62 THR C C 62 170.120 174.180 -4.060 1
1 768 . 4 1 1 A 62 62 THR H H 62 8.470 7.672 0.798 1
1 769 . 4 1 1 A 62 62 THR HA H 62 4.703 4.907 -0.204 1
1 772 . 4 1 1 A 63 63 LEU N N 63 123.100 123.994 -0.894 1
1 773 . 4 1 1 A 63 63 LEU CA C 63 52.833 54.659 -1.826 1
1 774 . 4 1 1 A 63 63 LEU CB C 63 40.311 41.912 -1.601 1
1 778 . 4 1 1 A 63 63 LEU C C 63 175.135 176.528 -1.393 1
1 779 . 4 1 1 A 63 63 LEU H H 63 8.257 8.653 -0.396 1
1 780 . 4 1 1 A 63 63 LEU HA H 63 4.483 4.533 -0.050 1
1 790 . 4 1 1 A 64 64 ASN N N 64 114.829 117.826 -2.997 1
1 792 . 4 1 1 A 64 64 ASN CA C 64 50.610 50.532 0.078 1
1 793 . 4 1 1 A 64 64 ASN CB C 64 40.550 38.972 1.578 1
1 794 . 4 1 1 A 64 64 ASN C C 64 171.500 172.814 -1.314 1
1 795 . 4 1 1 A 64 64 ASN H H 64 8.306 8.114 0.192 1
1 796 . 4 1 1 A 64 64 ASN HA H 64 5.450 5.191 0.259 1
1 801 . 4 1 1 A 65 65 PRO CA C 65 61.914 62.221 -0.307 1
1 802 . 4 1 1 A 65 65 PRO CB C 65 30.780 32.309 -1.529 1
1 805 . 4 1 1 A 65 65 PRO C C 65 173.852 176.149 -2.297 1
1 806 . 4 1 1 A 65 65 PRO HA H 65 3.970 4.661 -0.691 1
1 813 . 4 1 1 A 66 66 VAL N N 66 121.000 117.314 3.686 1
1 814 . 4 1 1 A 66 66 VAL CA C 66 61.782 60.278 1.504 1
1 815 . 4 1 1 A 66 66 VAL CB C 66 32.721 33.787 -1.066 1
1 818 . 4 1 1 A 66 66 VAL C C 66 175.152 175.712 -0.560 1
1 819 . 4 1 1 A 66 66 VAL H H 66 7.926 8.037 -0.111 1
1 820 . 4 1 1 A 66 66 VAL HA H 66 3.807 4.739 -0.932 1
1 828 . 4 1 1 A 67 67 PHE N N 67 123.400 127.031 -3.631 1
1 829 . 4 1 1 A 67 67 PHE CA C 67 59.262 60.434 -1.172 1
1 830 . 4 1 1 A 67 67 PHE CB C 67 39.849 40.099 -0.250 1
1 831 . 4 1 1 A 67 67 PHE C C 67 175.748 175.667 0.081 1
1 832 . 4 1 1 A 67 67 PHE H H 67 8.150 8.840 -0.690 1
1 833 . 4 1 1 A 67 67 PHE HA H 67 4.378 4.415 -0.037 1
1 836 . 4 1 1 A 68 68 ASN N N 68 117.500 116.858 0.642 1
1 837 . 4 1 1 A 68 68 ASN CA C 68 53.983 53.832 0.151 1
1 838 . 4 1 1 A 68 68 ASN CB C 68 37.351 35.917 1.434 1
1 839 . 4 1 1 A 68 68 ASN C C 68 173.314 174.978 -1.664 1
1 840 . 4 1 1 A 68 68 ASN H H 68 8.920 8.954 -0.034 1
1 841 . 4 1 1 A 68 68 ASN HA H 68 4.350 5.003 -0.653 1
1 847 . 4 1 1 A 69 69 GLU N N 69 116.000 121.547 -5.547 1
1 848 . 4 1 1 A 69 69 GLU CA C 69 55.742 54.941 0.801 1
1 849 . 4 1 1 A 69 69 GLU CB C 69 34.663 32.218 2.445 1
1 851 . 4 1 1 A 69 69 GLU C C 69 174.165 174.771 -0.606 1
1 852 . 4 1 1 A 69 69 GLU H H 69 7.931 7.992 -0.061 1
1 853 . 4 1 1 A 69 69 GLU HA H 69 4.638 5.024 -0.386 1
1 858 . 4 1 1 A 70 70 GLN N N 70 121.500 126.110 -4.610 1
1 860 . 4 1 1 A 70 70 GLN CA C 70 53.807 55.465 -1.658 1
1 861 . 4 1 1 A 70 70 GLN CB C 70 31.750 29.416 2.334 1
1 863 . 4 1 1 A 70 70 GLN C C 70 173.068 174.525 -1.457 1
1 864 . 4 1 1 A 70 70 GLN H H 70 8.174 8.797 -0.623 1
1 865 . 4 1 1 A 70 70 GLN HA H 70 4.985 4.582 0.403 1
1 872 . 4 1 1 A 71 71 PHE N N 71 124.300 123.515 0.785 1
1 873 . 4 1 1 A 71 71 PHE CA C 71 55.249 56.236 -0.987 1
1 874 . 4 1 1 A 71 71 PHE CB C 71 42.133 39.075 3.058 1
1 875 . 4 1 1 A 71 71 PHE C C 71 173.570 174.773 -1.203 1
1 876 . 4 1 1 A 71 71 PHE H H 71 9.040 8.752 0.288 1
1 877 . 4 1 1 A 71 71 PHE HA H 71 4.528 4.869 -0.341 1
1 880 . 4 1 1 A 72 72 THR N N 72 114.000 118.772 -4.772 1
1 881 . 4 1 1 A 72 72 THR CA C 72 59.491 63.038 -3.547 1
1 882 . 4 1 1 A 72 72 THR CB C 72 70.623 69.578 1.045 1
1 884 . 4 1 1 A 72 72 THR C C 72 172.834 173.931 -1.097 1
1 885 . 4 1 1 A 72 72 THR H H 72 7.763 8.332 -0.569 1
1 886 . 4 1 1 A 72 72 THR HA H 72 5.212 4.034 1.178 1
1 889 . 4 1 1 A 73 73 PHE N N 73 120.900 125.740 -4.840 1
1 890 . 4 1 1 A 73 73 PHE CA C 73 56.071 56.076 -0.005 1
1 891 . 4 1 1 A 73 73 PHE CB C 73 41.570 40.551 1.019 1
1 892 . 4 1 1 A 73 73 PHE C C 73 174.890 175.097 -0.207 1
1 893 . 4 1 1 A 73 73 PHE H H 73 8.983 9.277 -0.294 1
1 894 . 4 1 1 A 73 73 PHE HA H 73 4.750 4.978 -0.228 1
1 897 . 4 1 1 A 74 74 LYS N N 74 127.500 125.581 1.919 1
1 898 . 4 1 1 A 74 74 LYS CA C 74 56.186 56.130 0.056 1
1 899 . 4 1 1 A 74 74 LYS CB C 74 30.577 30.798 -0.221 1
1 903 . 4 1 1 A 74 74 LYS C C 74 174.575 175.028 -0.453 1
1 904 . 4 1 1 A 74 74 LYS H H 74 9.063 9.044 0.019 1
1 905 . 4 1 1 A 74 74 LYS HA H 74 4.690 4.556 0.134 1
1 914 . 4 1 1 A 75 75 VAL N N 75 126.600 116.960 9.640 1
1 915 . 4 1 1 A 75 75 VAL CA C 75 57.737 58.395 -0.658 1
1 916 . 4 1 1 A 75 75 VAL CB C 75 35.160 34.904 0.256 1
1 919 . 4 1 1 A 75 75 VAL C C 75 171.500 173.738 -2.238 1
1 920 . 4 1 1 A 75 75 VAL H H 75 7.546 8.173 -0.627 1
1 921 . 4 1 1 A 75 75 VAL HA H 75 4.650 4.826 -0.176 1
1 929 . 4 1 1 A 76 76 PRO CA C 76 62.476 62.787 -0.311 1
1 930 . 4 1 1 A 76 76 PRO CB C 76 32.143 32.811 -0.668 1
1 933 . 4 1 1 A 76 76 PRO C C 76 176.991 177.371 -0.380 1
1 934 . 4 1 1 A 76 76 PRO HA H 76 4.329 4.741 -0.412 1
1 941 . 4 1 1 A 77 77 TYR N N 77 128.500 125.431 3.069 1
1 942 . 4 1 1 A 77 77 TYR CA C 77 61.772 60.575 1.197 1
1 943 . 4 1 1 A 77 77 TYR CB C 77 37.898 37.389 0.509 1
1 944 . 4 1 1 A 77 77 TYR C C 77 177.516 177.087 0.429 1
1 945 . 4 1 1 A 77 77 TYR H H 77 8.626 9.151 -0.525 1
1 946 . 4 1 1 A 77 77 TYR HA H 77 3.403 4.180 -0.777 1
1 950 . 4 1 1 A 78 78 SER N N 78 110.600 116.463 -5.863 1
1 951 . 4 1 1 A 78 78 SER H H 78 8.509 8.106 0.403 1
1 952 . 4 1 1 A 78 78 SER CA C 78 60.064 60.925 -0.861 1
1 953 . 4 1 1 A 78 78 SER CB C 78 62.022 62.216 -0.194 1
1 954 . 4 1 1 A 78 78 SER C C 78 175.292 176.209 -0.917 1
1 955 . 4 1 1 A 78 78 SER HA H 78 3.940 3.988 -0.048 1
1 958 . 4 1 1 A 79 79 GLU N N 79 119.000 121.323 -2.323 1
1 959 . 4 1 1 A 79 79 GLU CA C 79 55.273 56.436 -1.163 1
1 960 . 4 1 1 A 79 79 GLU CB C 79 30.302 30.188 0.114 1
1 962 . 4 1 1 A 79 79 GLU C C 79 177.218 178.975 -1.757 1
1 963 . 4 1 1 A 79 79 GLU H H 79 7.411 7.747 -0.336 1
1 964 . 4 1 1 A 79 79 GLU HA H 79 4.280 4.298 -0.018 1
1 969 . 4 1 1 A 80 80 LEU N N 80 121.600 122.274 -0.674 1
1 970 . 4 1 1 A 80 80 LEU CA C 80 57.376 57.896 -0.520 1
1 971 . 4 1 1 A 80 80 LEU CB C 80 41.916 41.857 0.059 1
1 975 . 4 1 1 A 80 80 LEU C C 80 177.098 178.461 -1.363 1
1 976 . 4 1 1 A 80 80 LEU H H 80 7.311 8.022 -0.711 1
1 977 . 4 1 1 A 80 80 LEU HA H 80 3.643 4.013 -0.370 1
1 987 . 4 1 1 A 81 81 GLY N N 81 102.900 106.929 -4.029 1
1 988 . 4 1 1 A 81 81 GLY CA C 81 46.638 47.382 -0.744 1
1 989 . 4 1 1 A 81 81 GLY C C 81 174.240 176.642 -2.402 1
1 990 . 4 1 1 A 81 81 GLY H H 81 7.860 8.356 -0.496 1
1 991 . 4 1 1 A 81 81 GLY HA3 H 81 3.744 3.767 -0.023 1
1 992 . 4 1 1 A 81 81 GLY HA2 H 81 3.434 3.746 -0.312 1
1 993 . 4 1 1 A 82 82 GLY N N 82 105.900 108.694 -2.794 1
1 994 . 4 1 1 A 82 82 GLY CA C 82 44.289 46.951 -2.662 1
1 995 . 4 1 1 A 82 82 GLY C C 82 174.591 174.583 0.008 1
1 996 . 4 1 1 A 82 82 GLY H H 82 7.396 8.162 -0.766 1
1 997 . 4 1 1 A 82 82 GLY HA3 H 82 4.267 3.944 0.323 1
1 998 . 4 1 1 A 82 82 GLY HA2 H 82 3.760 3.944 -0.184 1
1 999 . 4 1 1 A 83 83 LYS N N 83 119.000 119.173 -0.173 1
1 1000 . 4 1 1 A 83 83 LYS CA C 83 53.818 55.104 -1.286 1
1 1001 . 4 1 1 A 83 83 LYS CB C 83 33.814 33.571 0.243 1
1 1005 . 4 1 1 A 83 83 LYS H H 83 7.888 7.501 0.387 1
1 1006 . 4 1 1 A 83 83 LYS HA H 83 4.366 4.610 -0.244 1
1 1007 . 4 1 1 A 83 83 LYS C C 83 176.518 175.719 0.799 1
1 1015 . 4 1 1 A 84 84 THR N N 84 118.500 113.247 5.253 1
1 1016 . 4 1 1 A 84 84 THR CA C 84 61.914 60.528 1.386 1
1 1017 . 4 1 1 A 84 84 THR CB C 84 71.340 71.141 0.199 1
1 1019 . 4 1 1 A 84 84 THR C C 84 171.750 173.481 -1.731 1
1 1020 . 4 1 1 A 84 84 THR H H 84 8.248 8.722 -0.474 1
1 1021 . 4 1 1 A 84 84 THR HA H 84 4.638 5.242 -0.604 1
1 1024 . 4 1 1 A 85 85 LEU N N 85 130.500 126.440 4.060 1
1 1025 . 4 1 1 A 85 85 LEU CA C 85 53.982 53.990 -0.008 1
1 1026 . 4 1 1 A 85 85 LEU CB C 85 43.826 42.834 0.992 1
1 1030 . 4 1 1 A 85 85 LEU C C 85 173.417 176.529 -3.112 1
1 1031 . 4 1 1 A 85 85 LEU H H 85 8.430 8.686 -0.256 1
1 1032 . 4 1 1 A 85 85 LEU HA H 85 4.417 4.748 -0.331 1
1 1042 . 4 1 1 A 86 86 VAL N N 86 127.723 119.156 8.567 1
1 1043 . 4 1 1 A 86 86 VAL CA C 86 61.206 59.980 1.226 1
1 1044 . 4 1 1 A 86 86 VAL CB C 86 31.856 34.346 -2.490 1
1 1047 . 4 1 1 A 86 86 VAL C C 86 173.599 174.604 -1.005 1
1 1048 . 4 1 1 A 86 86 VAL H H 86 8.771 8.950 -0.179 1
1 1049 . 4 1 1 A 86 86 VAL HA H 86 4.151 5.252 -1.101 1
1 1057 . 4 1 1 A 87 87 MET N N 87 122.600 123.678 -1.078 1
1 1058 . 4 1 1 A 87 87 MET CA C 87 53.654 54.096 -0.442 1
1 1059 . 4 1 1 A 87 87 MET CB C 87 31.288 36.697 -5.409 1
1 1061 . 4 1 1 A 87 87 MET C C 87 172.749 174.597 -1.848 1
1 1062 . 4 1 1 A 87 87 MET H H 87 7.503 8.956 -1.453 1
1 1063 . 4 1 1 A 87 87 MET HA H 87 4.706 5.162 -0.456 1
1 1068 . 4 1 1 A 88 88 ALA N N 88 124.200 124.724 -0.524 1
1 1069 . 4 1 1 A 88 88 ALA CA C 88 50.017 50.898 -0.881 1
1 1070 . 4 1 1 A 88 88 ALA CB C 88 23.107 20.799 2.308 1
1 1071 . 4 1 1 A 88 88 ALA C C 88 174.558 175.699 -1.141 1
1 1072 . 4 1 1 A 88 88 ALA H H 88 8.755 8.432 0.323 1
1 1073 . 4 1 1 A 88 88 ALA HA H 88 4.948 5.001 -0.053 1
1 1077 . 4 1 1 A 89 89 VAL N N 89 122.900 123.566 -0.666 1
1 1078 . 4 1 1 A 89 89 VAL CA C 89 60.881 63.051 -2.170 1
1 1079 . 4 1 1 A 89 89 VAL CB C 89 31.541 31.354 0.187 1
1 1082 . 4 1 1 A 89 89 VAL C C 89 173.707 174.741 -1.034 1
1 1083 . 4 1 1 A 89 89 VAL H H 89 8.813 9.124 -0.311 1
1 1084 . 4 1 1 A 89 89 VAL HA H 89 4.652 4.542 0.110 1
1 1092 . 4 1 1 A 90 90 TYR N N 90 128.400 128.457 -0.057 1
1 1093 . 4 1 1 A 90 90 TYR CA C 90 56.230 56.107 0.123 1
1 1094 . 4 1 1 A 90 90 TYR CB C 90 43.211 41.916 1.295 1
1 1095 . 4 1 1 A 90 90 TYR C C 90 173.024 173.266 -0.242 1
1 1096 . 4 1 1 A 90 90 TYR H H 90 9.067 9.639 -0.572 1
1 1097 . 4 1 1 A 90 90 TYR HA H 90 4.766 5.215 -0.449 1
1 1101 . 4 1 1 A 91 91 ASP N N 91 116.300 129.267 -12.967 1
1 1102 . 4 1 1 A 91 91 ASP CA C 91 51.800 52.665 -0.865 1
1 1103 . 4 1 1 A 91 91 ASP CB C 91 42.265 42.526 -0.261 1
1 1104 . 4 1 1 A 91 91 ASP C C 91 175.823 175.516 0.307 1
1 1105 . 4 1 1 A 91 91 ASP H H 91 8.700 8.457 0.243 1
1 1106 . 4 1 1 A 91 91 ASP HA H 91 5.098 5.075 0.023 1
1 1109 . 4 1 1 A 92 92 PHE N N 92 128.100 127.773 0.327 1
1 1110 . 4 1 1 A 92 92 PHE CA C 92 58.830 56.542 2.288 1
1 1111 . 4 1 1 A 92 92 PHE CB C 92 31.850 38.731 -6.881 1
1 1112 . 4 1 1 A 92 92 PHE C C 92 173.437 175.175 -1.738 1
1 1113 . 4 1 1 A 92 92 PHE H H 92 9.540 8.809 0.731 1
1 1114 . 4 1 1 A 92 92 PHE HA H 92 4.480 4.980 -0.500 1
1 1117 . 4 1 1 A 93 93 ASP N N 93 122.100 126.961 -4.861 1
1 1118 . 4 1 1 A 93 93 ASP CA C 93 53.701 53.357 0.344 1
1 1119 . 4 1 1 A 93 93 ASP CB C 93 41.736 40.410 1.326 1
1 1120 . 4 1 1 A 93 93 ASP C C 93 175.548 174.497 1.051 1
1 1121 . 4 1 1 A 93 93 ASP H H 93 7.812 8.048 -0.236 1
1 1122 . 4 1 1 A 93 93 ASP HA H 93 4.480 4.342 0.138 1
1 1125 . 4 1 1 A 94 94 ARG N N 94 121.500 114.588 6.912 1
1 1126 . 4 1 1 A 94 94 ARG CA C 94 56.142 57.605 -1.463 1
1 1127 . 4 1 1 A 94 94 ARG CB C 94 30.173 28.122 2.051 1
1 1129 . 4 1 1 A 94 94 ARG C C 94 175.795 175.722 0.073 1
1 1130 . 4 1 1 A 94 94 ARG H H 94 8.264 7.439 0.825 1
1 1131 . 4 1 1 A 94 94 ARG HA H 94 4.000 3.746 0.254 1
1 1138 . 4 1 1 A 95 95 PHE N N 95 118.600 112.163 6.437 1
1 1139 . 4 1 1 A 95 95 PHE CA C 95 59.850 57.368 2.482 1
1 1140 . 4 1 1 A 95 95 PHE CB C 95 38.955 40.531 -1.576 1
1 1141 . 4 1 1 A 95 95 PHE C C 95 172.969 175.736 -2.767 1
1 1142 . 4 1 1 A 95 95 PHE H H 95 6.889 7.669 -0.780 1
1 1143 . 4 1 1 A 95 95 PHE HA H 95 4.373 4.715 -0.342 1
1 1146 . 4 1 1 A 96 96 SER N N 96 114.200 113.988 0.212 1
1 1147 . 4 1 1 A 96 96 SER H H 96 8.027 6.623 1.404 1
1 1148 . 4 1 1 A 96 96 SER CA C 96 57.596 57.853 -0.257 1
1 1149 . 4 1 1 A 96 96 SER CB C 96 63.494 64.399 -0.905 1
1 1150 . 4 1 1 A 96 96 SER C C 96 174.149 173.987 0.162 1
1 1151 . 4 1 1 A 96 96 SER HA H 96 4.220 4.478 -0.258 1
1 1154 . 4 1 1 A 97 97 LYS N N 97 121.600 121.402 0.198 1
1 1155 . 4 1 1 A 97 97 LYS CA C 97 58.206 56.176 2.030 1
1 1156 . 4 1 1 A 97 97 LYS CB C 97 31.860 32.777 -0.917 1
1 1159 . 4 1 1 A 97 97 LYS H H 97 8.264 8.510 -0.246 1
1 1160 . 4 1 1 A 97 97 LYS HA H 97 4.202 4.370 -0.168 1
1 1161 . 4 1 1 A 97 97 LYS C C 97 175.599 176.584 -0.985 1
1 1170 . 4 1 1 A 98 98 HIS N N 98 119.000 122.530 -3.530 1
1 1171 . 4 1 1 A 98 98 HIS CA C 98 54.159 56.874 -2.715 1
1 1172 . 4 1 1 A 98 98 HIS CB C 98 30.040 29.516 0.524 1
1 1173 . 4 1 1 A 98 98 HIS C C 98 174.050 174.333 -0.283 1
1 1174 . 4 1 1 A 98 98 HIS H H 98 8.350 8.697 -0.347 1
1 1175 . 4 1 1 A 98 98 HIS HA H 98 4.784 4.397 0.387 1
1 1178 . 4 1 1 A 99 99 ASP N N 99 122.600 125.037 -2.437 1
1 1179 . 4 1 1 A 99 99 ASP CA C 99 53.806 53.428 0.378 1
1 1180 . 4 1 1 A 99 99 ASP CB C 99 41.074 42.501 -1.427 1
1 1181 . 4 1 1 A 99 99 ASP C C 99 174.346 175.971 -1.625 1
1 1182 . 4 1 1 A 99 99 ASP H H 99 8.812 8.670 0.142 1
1 1183 . 4 1 1 A 99 99 ASP HA H 99 4.781 4.871 -0.090 1
1 1186 . 4 1 1 A 100 100 ILE N N 100 122.400 126.004 -3.604 1
1 1187 . 4 1 1 A 100 100 ILE CA C 100 60.989 62.304 -1.315 1
1 1188 . 4 1 1 A 100 100 ILE CB C 100 38.823 37.691 1.132 1
1 1192 . 4 1 1 A 100 100 ILE C C 100 174.431 177.973 -3.542 1
1 1193 . 4 1 1 A 100 100 ILE H H 100 8.075 8.825 -0.750 1
1 1194 . 4 1 1 A 100 100 ILE HA H 100 3.405 4.116 -0.711 1
1 1204 . 4 1 1 A 101 101 ILE N N 101 127.400 123.984 3.416 1
1 1205 . 4 1 1 A 101 101 ILE CA C 101 63.380 63.228 0.152 1
1 1206 . 4 1 1 A 101 101 ILE CB C 101 38.058 38.209 -0.151 1
1 1210 . 4 1 1 A 101 101 ILE C C 101 175.859 176.290 -0.431 1
1 1211 . 4 1 1 A 101 101 ILE H H 101 9.219 8.641 0.578 1
1 1212 . 4 1 1 A 101 101 ILE HA H 101 3.869 3.989 -0.120 1
1 1219 . 4 1 1 A 102 102 GLY N N 102 101.500 109.580 -8.080 1
1 1220 . 4 1 1 A 102 102 GLY CA C 102 45.259 45.746 -0.487 1
1 1221 . 4 1 1 A 102 102 GLY C C 102 169.614 171.644 -2.030 1
1 1222 . 4 1 1 A 102 102 GLY H H 102 7.241 7.486 -0.245 1
1 1223 . 4 1 1 A 102 102 GLY HA3 H 102 4.024 4.031 -0.007 1
1 1224 . 4 1 1 A 102 102 GLY HA2 H 102 3.811 4.026 -0.215 1
1 1225 . 4 1 1 A 103 103 GLU N N 103 117.100 119.600 -2.500 1
1 1226 . 4 1 1 A 103 103 GLU CA C 103 54.229 55.564 -1.335 1
1 1227 . 4 1 1 A 103 103 GLU CB C 103 34.012 33.888 0.124 1
1 1229 . 4 1 1 A 103 103 GLU C C 103 173.993 174.290 -0.297 1
1 1230 . 4 1 1 A 103 103 GLU H H 103 9.499 9.107 0.392 1
1 1231 . 4 1 1 A 103 103 GLU HA H 103 5.513 5.443 0.070 1
1 1236 . 4 1 1 A 104 104 PHE N N 104 115.900 124.910 -9.010 1
1 1237 . 4 1 1 A 104 104 PHE CA C 104 58.037 56.800 1.237 1
1 1238 . 4 1 1 A 104 104 PHE CB C 104 41.030 42.768 -1.738 1
1 1239 . 4 1 1 A 104 104 PHE C C 104 171.749 173.152 -1.403 1
1 1240 . 4 1 1 A 104 104 PHE H H 104 8.525 9.081 -0.556 1
1 1241 . 4 1 1 A 104 104 PHE HA H 104 4.731 5.255 -0.524 1
1 1244 . 4 1 1 A 105 105 LYS N N 105 118.900 127.256 -8.356 1
1 1245 . 4 1 1 A 105 105 LYS CA C 105 53.771 54.485 -0.714 1
1 1246 . 4 1 1 A 105 105 LYS CB C 105 34.953 35.198 -0.245 1
1 1250 . 4 1 1 A 105 105 LYS H H 105 7.805 8.626 -0.821 1
1 1251 . 4 1 1 A 105 105 LYS HA H 105 5.188 4.941 0.247 1
1 1252 . 4 1 1 A 105 105 LYS C C 105 175.389 174.657 0.732 1
1 1261 . 4 1 1 A 106 106 VAL N N 106 121.400 126.110 -4.710 1
1 1262 . 4 1 1 A 106 106 VAL CA C 106 58.522 58.992 -0.470 1
1 1263 . 4 1 1 A 106 106 VAL CB C 106 34.050 35.107 -1.057 1
1 1266 . 4 1 1 A 106 106 VAL C C 106 173.300 173.962 -0.662 1
1 1267 . 4 1 1 A 106 106 VAL H H 106 9.276 8.427 0.849 1
1 1268 . 4 1 1 A 106 106 VAL HA H 106 4.430 4.439 -0.009 1
1 1276 . 4 1 1 A 107 107 PRO CA C 107 62.265 62.744 -0.479 1
1 1277 . 4 1 1 A 107 107 PRO CB C 107 31.157 31.512 -0.355 1
1 1280 . 4 1 1 A 107 107 PRO C C 107 178.967 178.861 0.106 1
1 1281 . 4 1 1 A 107 107 PRO HA H 107 4.703 4.722 -0.019 1
1 1288 . 4 1 1 A 108 108 MET N N 108 126.300 125.859 0.441 1
1 1289 . 4 1 1 A 108 108 MET CA C 108 56.728 57.578 -0.850 1
1 1290 . 4 1 1 A 108 108 MET CB C 108 32.909 32.614 0.295 1
1 1292 . 4 1 1 A 108 108 MET C C 108 176.858 178.178 -1.320 1
1 1293 . 4 1 1 A 108 108 MET H H 108 8.716 8.436 0.280 1
1 1294 . 4 1 1 A 108 108 MET HA H 108 4.483 4.494 -0.011 1
1 1299 . 4 1 1 A 109 109 ASN N N 109 115.600 116.579 -0.979 1
1 1300 . 4 1 1 A 109 109 ASN CA C 109 53.983 55.283 -1.300 1
1 1301 . 4 1 1 A 109 109 ASN CB C 109 36.227 36.681 -0.454 1
1 1302 . 4 1 1 A 109 109 ASN C C 109 175.789 176.949 -1.160 1
1 1303 . 4 1 1 A 109 109 ASN H H 109 8.342 8.849 -0.507 1
1 1304 . 4 1 1 A 109 109 ASN HA H 109 4.564 4.506 0.058 1
1 1310 . 4 1 1 A 110 110 THR N N 110 107.600 112.363 -4.763 1
1 1311 . 4 1 1 A 110 110 THR CA C 110 61.115 64.045 -2.930 1
1 1312 . 4 1 1 A 110 110 THR CB C 110 62.929 69.958 -7.029 1
1 1314 . 4 1 1 A 110 110 THR C C 110 173.508 174.452 -0.944 1
1 1315 . 4 1 1 A 110 110 THR H H 110 7.522 7.868 -0.346 1
1 1316 . 4 1 1 A 110 110 THR HA H 110 4.461 4.316 0.145 1
1 1319 . 4 1 1 A 111 111 VAL N N 111 123.700 119.607 4.093 1
1 1320 . 4 1 1 A 111 111 VAL CA C 111 61.782 61.550 0.232 1
1 1321 . 4 1 1 A 111 111 VAL CB C 111 32.821 32.088 0.733 1
1 1324 . 4 1 1 A 111 111 VAL C C 111 173.903 174.540 -0.637 1
1 1325 . 4 1 1 A 111 111 VAL H H 111 6.960 7.573 -0.613 1
1 1326 . 4 1 1 A 111 111 VAL HA H 111 3.703 4.067 -0.364 1
1 1334 . 4 1 1 A 112 112 ASP N N 112 125.800 128.202 -2.402 1
1 1335 . 4 1 1 A 112 112 ASP CA C 112 51.777 54.641 -2.864 1
1 1336 . 4 1 1 A 112 112 ASP CB C 112 40.648 41.264 -0.616 1
1 1337 . 4 1 1 A 112 112 ASP C C 112 175.407 174.982 0.425 1
1 1338 . 4 1 1 A 112 112 ASP H H 112 8.341 8.706 -0.365 1
1 1339 . 4 1 1 A 112 112 ASP HA H 112 4.719 4.879 -0.160 1
1 1342 . 4 1 1 A 113 113 PHE N N 113 122.700 124.624 -1.924 1
1 1343 . 4 1 1 A 113 113 PHE CA C 113 59.887 55.923 3.964 1
1 1344 . 4 1 1 A 113 113 PHE CB C 113 37.999 36.587 1.412 1
1 1345 . 4 1 1 A 113 113 PHE C C 113 175.854 176.617 -0.763 1
1 1346 . 4 1 1 A 113 113 PHE H H 113 8.391 8.783 -0.392 1
1 1347 . 4 1 1 A 113 113 PHE HA H 113 4.670 4.709 -0.039 1
1 1350 . 4 1 1 A 114 114 GLY N N 114 108.608 109.909 -1.301 1
1 1351 . 4 1 1 A 114 114 GLY CA C 114 45.657 47.317 -1.660 1
1 1352 . 4 1 1 A 114 114 GLY C C 114 172.963 174.688 -1.725 1
1 1353 . 4 1 1 A 114 114 GLY H H 114 8.953 8.669 0.284 1
1 1354 . 4 1 1 A 114 114 GLY HA3 H 114 4.018 3.762 0.256 1
1 1355 . 4 1 1 A 114 114 GLY HA2 H 114 3.912 3.593 0.319 1
1 1356 . 4 1 1 A 115 115 HIS N N 115 114.926 115.359 -0.433 1
1 1357 . 4 1 1 A 115 115 HIS CA C 115 53.533 54.331 -0.798 1
1 1358 . 4 1 1 A 115 115 HIS CB C 115 30.349 30.773 -0.424 1
1 1359 . 4 1 1 A 115 115 HIS C C 115 172.453 173.405 -0.952 1
1 1360 . 4 1 1 A 115 115 HIS H H 115 7.510 8.046 -0.536 1
1 1361 . 4 1 1 A 115 115 HIS HA H 115 4.868 5.049 -0.181 1
1 1364 . 4 1 1 A 116 116 VAL N N 116 122.100 119.721 2.379 1
1 1365 . 4 1 1 A 116 116 VAL CA C 116 62.992 59.559 3.433 1
1 1366 . 4 1 1 A 116 116 VAL CB C 116 31.850 34.150 -2.300 1
1 1369 . 4 1 1 A 116 116 VAL C C 116 176.352 173.790 2.562 1
1 1370 . 4 1 1 A 116 116 VAL H H 116 8.460 8.470 -0.010 1
1 1371 . 4 1 1 A 116 116 VAL HA H 116 4.268 5.298 -1.030 1
1 1379 . 4 1 1 A 117 117 THR N N 117 124.700 125.109 -0.409 1
1 1380 . 4 1 1 A 117 117 THR CA C 117 61.694 62.218 -0.524 1
1 1381 . 4 1 1 A 117 117 THR CB C 117 70.001 69.375 0.626 1
1 1383 . 4 1 1 A 117 117 THR C C 117 172.762 173.812 -1.050 1
1 1384 . 4 1 1 A 117 117 THR H H 117 8.550 9.358 -0.808 1
1 1385 . 4 1 1 A 117 117 THR HA H 117 4.460 4.542 -0.082 1
1 1388 . 4 1 1 A 118 118 GLU N N 118 126.000 125.410 0.590 1
1 1389 . 4 1 1 A 118 118 GLU CA C 118 55.038 55.279 -0.241 1
1 1390 . 4 1 1 A 118 118 GLU CB C 118 30.835 31.126 -0.291 1
1 1392 . 4 1 1 A 118 118 GLU C C 118 174.419 175.229 -0.810 1
1 1393 . 4 1 1 A 118 118 GLU H H 118 8.382 8.912 -0.530 1
1 1394 . 4 1 1 A 118 118 GLU HA H 118 4.776 4.913 -0.137 1
1 1399 . 4 1 1 A 119 119 GLU N N 119 123.000 120.919 2.081 1
1 1400 . 4 1 1 A 119 119 GLU CA C 119 54.292 54.937 -0.645 1
1 1401 . 4 1 1 A 119 119 GLU CB C 119 32.909 33.244 -0.335 1
1 1403 . 4 1 1 A 119 119 GLU C C 119 173.072 174.554 -1.482 1
1 1404 . 4 1 1 A 119 119 GLU H H 119 8.057 8.956 -0.899 1
1 1405 . 4 1 1 A 119 119 GLU HA H 119 4.631 4.659 -0.028 1
1 1410 . 4 1 1 A 120 120 TRP N N 120 118.300 122.099 -3.799 1
1 1411 . 4 1 1 A 120 120 TRP C C 120 177.336 175.383 1.953 1
1 1412 . 4 1 1 A 120 120 TRP CA C 120 55.672 57.017 -1.345 1
1 1413 . 4 1 1 A 120 120 TRP CB C 120 31.259 29.512 1.747 1
1 1414 . 4 1 1 A 120 120 TRP H H 120 8.212 8.501 -0.289 1
1 1415 . 4 1 1 A 120 120 TRP HA H 120 5.322 5.082 0.240 1
1 1424 . 4 1 1 A 121 121 ARG N N 121 120.900 126.619 -5.719 1
1 1425 . 4 1 1 A 121 121 ARG CA C 121 53.631 54.025 -0.394 1
1 1426 . 4 1 1 A 121 121 ARG CB C 121 32.865 33.649 -0.784 1
1 1429 . 4 1 1 A 121 121 ARG C C 121 174.321 175.429 -1.108 1
1 1430 . 4 1 1 A 121 121 ARG H H 121 9.012 8.803 0.209 1
1 1431 . 4 1 1 A 121 121 ARG HA H 121 4.488 5.109 -0.621 1
1 1438 . 4 1 1 A 122 122 ASP N N 122 121.600 123.651 -2.051 1
1 1439 . 4 1 1 A 122 122 ASP CA C 122 53.795 53.237 0.558 1
1 1440 . 4 1 1 A 122 122 ASP CB C 122 40.544 42.253 -1.709 1
1 1441 . 4 1 1 A 122 122 ASP C C 122 176.041 175.151 0.890 1
1 1442 . 4 1 1 A 122 122 ASP H H 122 8.226 8.874 -0.648 1
1 1443 . 4 1 1 A 122 122 ASP HA H 122 4.791 5.355 -0.564 1
1 1446 . 4 1 1 A 123 123 LEU N N 123 120.700 126.078 -5.378 1
1 1447 . 4 1 1 A 123 123 LEU CA C 123 54.997 54.235 0.762 1
1 1448 . 4 1 1 A 123 123 LEU CB C 123 41.765 43.249 -1.484 1
1 1452 . 4 1 1 A 123 123 LEU C C 123 175.964 176.231 -0.267 1
1 1453 . 4 1 1 A 123 123 LEU H H 123 8.436 8.683 -0.247 1
1 1454 . 4 1 1 A 123 123 LEU HA H 123 4.125 5.175 -1.050 1
1 1464 . 4 1 1 A 124 124 GLN N N 124 119.200 125.685 -6.485 1
1 1466 . 4 1 1 A 124 124 GLN CA C 124 53.278 55.660 -2.382 1
1 1467 . 4 1 1 A 124 124 GLN CB C 124 31.232 29.391 1.841 1
1 1469 . 4 1 1 A 124 124 GLN C C 124 175.183 175.792 -0.609 1
1 1470 . 4 1 1 A 124 124 GLN H H 124 9.020 8.570 0.450 1
1 1471 . 4 1 1 A 124 124 GLN HA H 124 4.738 4.533 0.205 1
1 1478 . 4 1 1 A 125 125 SER N N 125 115.300 119.479 -4.179 1
1 1479 . 4 1 1 A 125 125 SER H H 125 8.543 8.694 -0.151 1
1 1480 . 4 1 1 A 125 125 SER CA C 125 58.477 60.302 -1.825 1
1 1481 . 4 1 1 A 125 125 SER CB C 125 63.274 63.521 -0.247 1
1 1482 . 4 1 1 A 125 125 SER C C 125 174.609 174.220 0.389 1
1 1483 . 4 1 1 A 125 125 SER HA H 125 4.235 4.502 -0.267 1
1 1486 . 4 1 1 A 126 126 ALA N N 126 126.900 128.602 -1.702 1
1 1487 . 4 1 1 A 126 126 ALA CA C 126 51.636 50.534 1.102 1
1 1488 . 4 1 1 A 126 126 ALA CB C 126 19.845 20.712 -0.867 1
1 1489 . 4 1 1 A 126 126 ALA C C 126 176.876 176.665 0.211 1
1 1490 . 4 1 1 A 126 126 ALA H H 126 8.640 8.686 -0.046 1
1 1491 . 4 1 1 A 126 126 ALA HA H 126 4.216 5.082 -0.866 1
1 1495 . 4 1 1 A 127 127 GLU N N 127 120.600 123.309 -2.709 1
1 1496 . 4 1 1 A 127 127 GLU CA C 127 56.142 55.391 0.751 1
1 1497 . 4 1 1 A 127 127 GLU CB C 127 29.996 29.075 0.921 1
1 1499 . 4 1 1 A 127 127 GLU C C 127 175.129 175.366 -0.237 1
1 1500 . 4 1 1 A 127 127 GLU H H 127 8.204 8.768 -0.564 1
1 1501 . 4 1 1 A 127 127 GLU HA H 127 4.176 4.516 -0.340 1
1 12 . 5 1 1 A 2 2 LYS N N 2 123.200 118.141 5.059 1
1 13 . 5 1 1 A 2 2 LYS CA C 2 55.550 55.211 0.339 1
1 14 . 5 1 1 A 2 2 LYS CB C 2 31.730 34.062 -2.332 1
1 18 . 5 1 1 A 2 2 LYS H H 2 8.320 8.714 -0.394 1
1 19 . 5 1 1 A 2 2 LYS C C 2 176.041 175.656 0.385 1
1 20 . 5 1 1 A 2 2 LYS HA H 2 4.413 4.832 -0.419 1
1 29 . 5 1 1 A 3 3 LEU N N 3 124.700 124.529 0.171 1
1 30 . 5 1 1 A 3 3 LEU CA C 3 53.800 55.603 -1.803 1
1 31 . 5 1 1 A 3 3 LEU CB C 3 43.351 43.167 0.184 1
1 35 . 5 1 1 A 3 3 LEU C C 3 173.289 176.828 -3.539 1
1 36 . 5 1 1 A 3 3 LEU H H 3 8.319 9.008 -0.689 1
1 37 . 5 1 1 A 3 3 LEU HA H 3 4.363 4.390 -0.027 1
1 47 . 5 1 1 A 4 4 GLY N N 4 102.100 105.811 -3.711 1
1 48 . 5 1 1 A 4 4 GLY CA C 4 44.232 44.195 0.037 1
1 49 . 5 1 1 A 4 4 GLY C C 4 174.476 172.934 1.542 1
1 50 . 5 1 1 A 4 4 GLY H H 4 7.412 7.723 -0.311 1
1 51 . 5 1 1 A 4 4 GLY HA3 H 4 4.367 4.060 0.307 1
1 52 . 5 1 1 A 4 4 GLY HA2 H 4 3.662 4.051 -0.389 1
1 53 . 5 1 1 A 5 5 LYS N N 5 114.993 120.526 -5.533 1
1 54 . 5 1 1 A 5 5 LYS CA C 5 54.807 54.491 0.316 1
1 55 . 5 1 1 A 5 5 LYS CB C 5 36.664 36.710 -0.046 1
1 59 . 5 1 1 A 5 5 LYS C C 5 173.762 174.858 -1.096 1
1 60 . 5 1 1 A 5 5 LYS H H 5 8.748 8.333 0.415 1
1 61 . 5 1 1 A 5 5 LYS HA H 5 5.333 5.235 0.098 1
1 70 . 5 1 1 A 6 6 LEU N N 6 122.195 124.076 -1.881 1
1 71 . 5 1 1 A 6 6 LEU CA C 6 53.760 54.298 -0.538 1
1 72 . 5 1 1 A 6 6 LEU CB C 6 47.948 44.615 3.333 1
1 76 . 5 1 1 A 6 6 LEU C C 6 172.524 174.775 -2.251 1
1 77 . 5 1 1 A 6 6 LEU H H 6 9.058 9.807 -0.749 1
1 78 . 5 1 1 A 6 6 LEU HA H 6 5.312 5.971 -0.659 1
1 88 . 5 1 1 A 7 7 GLN N N 7 127.800 126.410 1.390 1
1 90 . 5 1 1 A 7 7 GLN CA C 7 52.595 54.885 -2.290 1
1 91 . 5 1 1 A 7 7 GLN CB C 7 28.032 29.904 -1.872 1
1 93 . 5 1 1 A 7 7 GLN C C 7 173.707 175.335 -1.628 1
1 94 . 5 1 1 A 7 7 GLN H H 7 8.945 8.518 0.427 1
1 95 . 5 1 1 A 7 7 GLN HA H 7 5.170 5.334 -0.164 1
1 102 . 5 1 1 A 8 8 TYR N N 8 125.700 124.089 1.611 1
1 103 . 5 1 1 A 8 8 TYR CA C 8 54.578 57.592 -3.014 1
1 104 . 5 1 1 A 8 8 TYR CB C 8 42.236 40.463 1.773 1
1 105 . 5 1 1 A 8 8 TYR C C 8 171.582 173.959 -2.377 1
1 106 . 5 1 1 A 8 8 TYR H H 8 8.445 8.513 -0.068 1
1 107 . 5 1 1 A 8 8 TYR HA H 8 5.401 5.079 0.322 1
1 110 . 5 1 1 A 9 9 SER N N 9 113.300 114.974 -1.674 1
1 111 . 5 1 1 A 9 9 SER H H 9 9.486 9.005 0.481 1
1 112 . 5 1 1 A 9 9 SER CA C 9 55.195 57.030 -1.835 1
1 113 . 5 1 1 A 9 9 SER CB C 9 67.116 63.611 3.505 1
1 114 . 5 1 1 A 9 9 SER C C 9 173.486 173.400 0.086 1
1 115 . 5 1 1 A 9 9 SER HA H 9 5.400 5.433 -0.033 1
1 118 . 5 1 1 A 10 10 LEU N N 10 120.700 123.158 -2.458 1
1 119 . 5 1 1 A 10 10 LEU CA C 10 53.388 53.280 0.108 1
1 120 . 5 1 1 A 10 10 LEU CB C 10 46.946 43.798 3.148 1
1 121 . 5 1 1 A 10 10 LEU C C 10 174.640 175.620 -0.980 1
1 125 . 5 1 1 A 10 10 LEU H H 10 8.698 8.736 -0.038 1
1 126 . 5 1 1 A 10 10 LEU HA H 10 5.471 5.433 0.038 1
1 136 . 5 1 1 A 11 11 ASP N N 11 119.760 121.748 -1.988 1
1 137 . 5 1 1 A 11 11 ASP CA C 11 52.525 53.004 -0.479 1
1 138 . 5 1 1 A 11 11 ASP CB C 11 44.683 45.171 -0.488 1
1 139 . 5 1 1 A 11 11 ASP C C 11 173.093 174.237 -1.144 1
1 140 . 5 1 1 A 11 11 ASP H H 11 8.673 9.067 -0.394 1
1 141 . 5 1 1 A 11 11 ASP HA H 11 5.126 5.493 -0.367 1
1 144 . 5 1 1 A 12 12 TYR N N 12 124.200 120.660 3.540 1
1 145 . 5 1 1 A 12 12 TYR CA C 12 57.883 58.126 -0.243 1
1 146 . 5 1 1 A 12 12 TYR CB C 12 40.054 41.512 -1.458 1
1 147 . 5 1 1 A 12 12 TYR C C 12 171.962 173.304 -1.342 1
1 148 . 5 1 1 A 12 12 TYR H H 12 8.898 9.166 -0.268 1
1 149 . 5 1 1 A 12 12 TYR HA H 12 4.609 5.055 -0.446 1
1 154 . 5 1 1 A 13 13 ASP N N 13 126.400 124.733 1.667 1
1 155 . 5 1 1 A 13 13 ASP CA C 13 51.141 53.152 -2.011 1
1 156 . 5 1 1 A 13 13 ASP CB C 13 40.891 40.635 0.256 1
1 157 . 5 1 1 A 13 13 ASP C C 13 175.599 176.720 -1.121 1
1 158 . 5 1 1 A 13 13 ASP H H 13 8.018 8.015 0.003 1
1 159 . 5 1 1 A 13 13 ASP HA H 13 4.591 4.625 -0.034 1
1 162 . 5 1 1 A 14 14 PHE N N 14 123.575 124.729 -1.154 1
1 163 . 5 1 1 A 14 14 PHE CA C 14 60.734 59.238 1.496 1
1 164 . 5 1 1 A 14 14 PHE CB C 14 38.821 37.749 1.072 1
1 165 . 5 1 1 A 14 14 PHE C C 14 176.704 175.749 0.955 1
1 166 . 5 1 1 A 14 14 PHE H H 14 8.540 8.126 0.414 1
1 167 . 5 1 1 A 14 14 PHE HA H 14 4.187 4.310 -0.123 1
1 170 . 5 1 1 A 15 15 GLN N N 15 118.500 116.888 1.612 1
1 172 . 5 1 1 A 15 15 GLN CA C 15 57.927 55.416 2.511 1
1 173 . 5 1 1 A 15 15 GLN CB C 15 28.129 27.276 0.853 1
1 175 . 5 1 1 A 15 15 GLN C C 15 176.646 176.496 0.150 1
1 176 . 5 1 1 A 15 15 GLN H H 15 8.307 7.490 0.817 1
1 177 . 5 1 1 A 15 15 GLN HA H 15 4.150 3.946 0.204 1
1 184 . 5 1 1 A 16 16 ASN N N 16 113.392 116.443 -3.051 1
1 185 . 5 1 1 A 16 16 ASN CA C 16 52.051 51.922 0.129 1
1 186 . 5 1 1 A 16 16 ASN CB C 16 39.238 37.703 1.535 1
1 187 . 5 1 1 A 16 16 ASN C C 16 173.191 174.912 -1.721 1
1 188 . 5 1 1 A 16 16 ASN H H 16 7.347 7.821 -0.474 1
1 189 . 5 1 1 A 16 16 ASN HA H 16 4.682 4.659 0.023 1
1 195 . 5 1 1 A 17 17 ASN N N 17 118.200 115.353 2.847 1
1 196 . 5 1 1 A 17 17 ASN CA C 17 54.524 54.795 -0.271 1
1 197 . 5 1 1 A 17 17 ASN CB C 17 36.825 36.830 -0.005 1
1 198 . 5 1 1 A 17 17 ASN C C 17 175.797 173.916 1.881 1
1 199 . 5 1 1 A 17 17 ASN H H 17 7.682 7.632 0.050 1
1 200 . 5 1 1 A 17 17 ASN HA H 17 4.300 4.750 -0.450 1
1 206 . 5 1 1 A 18 18 GLN N N 18 110.518 113.299 -2.781 1
1 208 . 5 1 1 A 18 18 GLN CA C 18 52.888 54.789 -1.901 1
1 209 . 5 1 1 A 18 18 GLN CB C 18 31.353 31.915 -0.562 1
1 211 . 5 1 1 A 18 18 GLN C C 18 171.717 174.007 -2.290 1
1 212 . 5 1 1 A 18 18 GLN H H 18 6.757 7.201 -0.444 1
1 213 . 5 1 1 A 18 18 GLN HA H 18 4.911 5.081 -0.170 1
1 220 . 5 1 1 A 19 19 LEU N N 19 124.400 125.568 -1.168 1
1 221 . 5 1 1 A 19 19 LEU CA C 19 53.873 54.120 -0.247 1
1 222 . 5 1 1 A 19 19 LEU CB C 19 44.558 43.300 1.258 1
1 226 . 5 1 1 A 19 19 LEU C C 19 173.731 175.222 -1.491 1
1 227 . 5 1 1 A 19 19 LEU H H 19 9.048 8.713 0.335 1
1 228 . 5 1 1 A 19 19 LEU HA H 19 4.543 4.998 -0.455 1
1 238 . 5 1 1 A 20 20 LEU N N 20 128.415 122.936 5.479 1
1 239 . 5 1 1 A 20 20 LEU CA C 20 53.695 53.540 0.155 1
1 240 . 5 1 1 A 20 20 LEU CB C 20 41.956 45.306 -3.350 1
1 244 . 5 1 1 A 20 20 LEU C C 20 175.696 175.744 -0.048 1
1 245 . 5 1 1 A 20 20 LEU H H 20 9.021 8.729 0.292 1
1 246 . 5 1 1 A 20 20 LEU HA H 20 4.852 5.056 -0.204 1
1 256 . 5 1 1 A 21 21 VAL N N 21 125.838 124.980 0.858 1
1 257 . 5 1 1 A 21 21 VAL CA C 21 60.511 61.344 -0.833 1
1 258 . 5 1 1 A 21 21 VAL CB C 21 45.331 32.523 12.808 1
1 260 . 5 1 1 A 21 21 VAL C C 21 173.979 174.924 -0.945 1
1 261 . 5 1 1 A 21 21 VAL H H 21 9.073 9.137 -0.064 1
1 262 . 5 1 1 A 21 21 VAL HA H 21 4.853 4.557 0.296 1
1 270 . 5 1 1 A 22 22 GLY N N 22 117.254 113.863 3.391 1
1 271 . 5 1 1 A 22 22 GLY CA C 22 43.843 45.294 -1.451 1
1 272 . 5 1 1 A 22 22 GLY C C 22 172.485 174.272 -1.787 1
1 273 . 5 1 1 A 22 22 GLY H H 22 9.486 9.029 0.457 1
1 274 . 5 1 1 A 22 22 GLY HA3 H 22 4.653 4.197 0.456 1
1 275 . 5 1 1 A 22 22 GLY HA2 H 22 3.520 4.141 -0.621 1
1 276 . 5 1 1 A 23 23 ILE N N 23 125.106 123.468 1.638 1
1 277 . 5 1 1 A 23 23 ILE CA C 23 58.182 59.685 -1.503 1
1 278 . 5 1 1 A 23 23 ILE CB C 23 35.290 38.247 -2.957 1
1 282 . 5 1 1 A 23 23 ILE C C 23 174.346 175.774 -1.428 1
1 283 . 5 1 1 A 23 23 ILE H H 23 8.831 8.703 0.128 1
1 284 . 5 1 1 A 23 23 ILE HA H 23 4.330 4.752 -0.422 1
1 294 . 5 1 1 A 24 24 ILE N N 24 126.735 121.770 4.965 1
1 295 . 5 1 1 A 24 24 ILE CA C 24 65.005 62.846 2.159 1
1 296 . 5 1 1 A 24 24 ILE CB C 24 37.790 40.633 -2.843 1
1 300 . 5 1 1 A 24 24 ILE C C 24 177.149 175.646 1.503 1
1 301 . 5 1 1 A 24 24 ILE H H 24 8.365 8.981 -0.616 1
1 302 . 5 1 1 A 24 24 ILE HA H 24 3.903 4.180 -0.277 1
1 312 . 5 1 1 A 25 25 GLN N N 25 110.662 116.491 -5.829 1
1 314 . 5 1 1 A 25 25 GLN CA C 25 54.295 54.574 -0.279 1
1 315 . 5 1 1 A 25 25 GLN CB C 25 30.953 32.067 -1.114 1
1 317 . 5 1 1 A 25 25 GLN C C 25 171.152 173.319 -2.167 1
1 318 . 5 1 1 A 25 25 GLN H H 25 7.706 7.752 -0.046 1
1 319 . 5 1 1 A 25 25 GLN HA H 25 5.123 4.765 0.358 1
1 325 . 5 1 1 A 26 26 ALA N N 26 121.300 123.033 -1.733 1
1 326 . 5 1 1 A 26 26 ALA CA C 26 49.951 50.166 -0.215 1
1 327 . 5 1 1 A 26 26 ALA CB C 26 22.406 22.513 -0.107 1
1 328 . 5 1 1 A 26 26 ALA C C 26 171.937 175.830 -3.893 1
1 329 . 5 1 1 A 26 26 ALA H H 26 9.195 8.267 0.928 1
1 330 . 5 1 1 A 26 26 ALA HA H 26 5.740 6.208 -0.468 1
1 334 . 5 1 1 A 27 27 ALA N N 27 120.100 121.858 -1.758 1
1 335 . 5 1 1 A 27 27 ALA CA C 27 50.524 50.606 -0.082 1
1 336 . 5 1 1 A 27 27 ALA CB C 27 24.047 21.241 2.806 1
1 337 . 5 1 1 A 27 27 ALA C C 27 174.984 176.884 -1.900 1
1 338 . 5 1 1 A 27 27 ALA H H 27 9.118 8.558 0.560 1
1 339 . 5 1 1 A 27 27 ALA HA H 27 5.353 4.840 0.513 1
1 343 . 5 1 1 A 28 28 GLU N N 28 112.600 120.127 -7.527 1
1 344 . 5 1 1 A 28 28 GLU CA C 28 56.032 57.212 -1.180 1
1 345 . 5 1 1 A 28 28 GLU CB C 28 25.966 27.591 -1.625 1
1 347 . 5 1 1 A 28 28 GLU C C 28 174.427 175.795 -1.368 1
1 348 . 5 1 1 A 28 28 GLU H H 28 8.453 8.743 -0.290 1
1 349 . 5 1 1 A 28 28 GLU HA H 28 3.648 3.807 -0.159 1
1 354 . 5 1 1 A 29 29 LEU N N 29 116.093 120.435 -4.342 1
1 355 . 5 1 1 A 29 29 LEU CA C 29 53.295 53.204 0.091 1
1 356 . 5 1 1 A 29 29 LEU CB C 29 39.640 40.664 -1.024 1
1 360 . 5 1 1 A 29 29 LEU C C 29 173.800 174.548 -0.748 1
1 361 . 5 1 1 A 29 29 LEU H H 29 7.951 7.540 0.411 1
1 362 . 5 1 1 A 29 29 LEU HA H 29 4.330 4.686 -0.356 1
1 372 . 5 1 1 A 30 30 PRO CA C 30 61.760 62.817 -1.057 1
1 373 . 5 1 1 A 30 30 PRO CB C 30 31.492 31.934 -0.442 1
1 376 . 5 1 1 A 30 30 PRO C C 30 175.525 176.405 -0.880 1
1 377 . 5 1 1 A 30 30 PRO HA H 30 4.327 4.489 -0.162 1
1 383 . 5 1 1 A 31 31 ALA N N 31 122.487 124.385 -1.898 1
1 384 . 5 1 1 A 31 31 ALA CA C 31 50.604 51.483 -0.879 1
1 385 . 5 1 1 A 31 31 ALA CB C 31 18.576 20.208 -1.632 1
1 386 . 5 1 1 A 31 31 ALA C C 31 177.222 177.805 -0.583 1
1 387 . 5 1 1 A 31 31 ALA H H 31 8.128 8.407 -0.279 1
1 388 . 5 1 1 A 31 31 ALA HA H 31 4.130 4.777 -0.647 1
1 392 . 5 1 1 A 32 32 LEU N N 32 124.400 123.431 0.969 1
1 393 . 5 1 1 A 32 32 LEU CA C 32 55.041 53.855 1.186 1
1 394 . 5 1 1 A 32 32 LEU CB C 32 42.916 41.936 0.980 1
1 398 . 5 1 1 A 32 32 LEU C C 32 176.852 175.132 1.720 1
1 399 . 5 1 1 A 32 32 LEU H H 32 8.035 8.871 -0.836 1
1 400 . 5 1 1 A 32 32 LEU HA H 32 4.240 4.687 -0.447 1
1 410 . 5 1 1 A 33 33 ASP N N 33 119.800 120.120 -0.320 1
1 411 . 5 1 1 A 33 33 ASP CA C 33 52.948 53.290 -0.342 1
1 412 . 5 1 1 A 33 33 ASP CB C 33 41.578 44.867 -3.289 1
1 413 . 5 1 1 A 33 33 ASP C C 33 176.200 174.877 1.323 1
1 414 . 5 1 1 A 33 33 ASP H H 33 8.400 7.322 1.078 1
1 415 . 5 1 1 A 33 33 ASP HA H 33 4.785 5.088 -0.303 1
1 418 . 5 1 1 A 34 34 MET N N 34 120.000 122.773 -2.773 1
1 419 . 5 1 1 A 34 34 MET CA C 34 56.561 54.823 1.738 1
1 420 . 5 1 1 A 34 34 MET CB C 34 31.288 31.524 -0.236 1
1 422 . 5 1 1 A 34 34 MET C C 34 176.483 176.674 -0.191 1
1 423 . 5 1 1 A 34 34 MET H H 34 8.492 8.760 -0.268 1
1 424 . 5 1 1 A 34 34 MET HA H 34 4.213 4.529 -0.316 1
1 429 . 5 1 1 A 35 35 GLY N N 35 110.400 108.765 1.635 1
1 430 . 5 1 1 A 35 35 GLY CA C 35 44.884 45.438 -0.554 1
1 431 . 5 1 1 A 35 35 GLY C C 35 174.831 175.111 -0.280 1
1 432 . 5 1 1 A 35 35 GLY H H 35 8.668 8.147 0.521 1
1 433 . 5 1 1 A 35 35 GLY HA3 H 35 4.039 4.094 -0.055 1
1 434 . 5 1 1 A 35 35 GLY HA2 H 35 3.818 4.088 -0.270 1
1 435 . 5 1 1 A 36 36 GLY N N 36 107.400 109.597 -2.197 1
1 436 . 5 1 1 A 36 36 GLY CA C 36 45.427 46.624 -1.197 1
1 437 . 5 1 1 A 36 36 GLY C C 36 173.194 173.600 -0.406 1
1 438 . 5 1 1 A 36 36 GLY H H 36 8.008 8.189 -0.181 1
1 439 . 5 1 1 A 36 36 GLY HA3 H 36 4.000 3.940 0.060 1
1 440 . 5 1 1 A 36 36 GLY HA2 H 36 3.861 3.938 -0.077 1
1 441 . 5 1 1 A 37 37 THR N N 37 111.100 110.428 0.672 1
1 442 . 5 1 1 A 37 37 THR CA C 37 59.954 59.721 0.233 1
1 443 . 5 1 1 A 37 37 THR CB C 37 70.589 72.897 -2.308 1
1 445 . 5 1 1 A 37 37 THR C C 37 171.355 172.514 -1.159 1
1 446 . 5 1 1 A 37 37 THR H H 37 7.476 7.531 -0.055 1
1 447 . 5 1 1 A 37 37 THR HA H 37 4.511 5.064 -0.553 1
1 450 . 5 1 1 A 38 38 SER N N 38 115.811 115.220 0.591 1
1 451 . 5 1 1 A 38 38 SER CA C 38 57.664 56.569 1.095 1
1 452 . 5 1 1 A 38 38 SER CB C 38 70.510 66.488 4.022 1
1 453 . 5 1 1 A 38 38 SER C C 38 170.198 173.183 -2.985 1
1 454 . 5 1 1 A 38 38 SER H H 38 7.257 8.785 -1.528 1
1 455 . 5 1 1 A 38 38 SER HA H 38 4.707 5.140 -0.433 1
1 458 . 5 1 1 A 39 39 ASP N N 39 121.288 120.439 0.849 1
1 459 . 5 1 1 A 39 39 ASP CA C 39 51.058 51.782 -0.724 1
1 460 . 5 1 1 A 39 39 ASP CB C 39 42.210 41.818 0.392 1
1 461 . 5 1 1 A 39 39 ASP C C 39 172.500 173.760 -1.260 1
1 462 . 5 1 1 A 39 39 ASP H H 39 8.698 8.734 -0.036 1
1 463 . 5 1 1 A 39 39 ASP HA H 39 5.940 5.836 0.104 1
1 466 . 5 1 1 A 40 40 PRO CA C 40 62.440 62.969 -0.529 1
1 467 . 5 1 1 A 40 40 PRO CB C 40 34.370 32.717 1.653 1
1 470 . 5 1 1 A 40 40 PRO C C 40 176.317 175.314 1.003 1
1 471 . 5 1 1 A 40 40 PRO HA H 40 5.826 4.977 0.849 1
1 478 . 5 1 1 A 41 41 TYR N N 41 113.769 124.488 -10.719 1
1 479 . 5 1 1 A 41 41 TYR CA C 41 56.150 58.103 -1.953 1
1 480 . 5 1 1 A 41 41 TYR CB C 41 40.246 41.979 -1.733 1
1 481 . 5 1 1 A 41 41 TYR C C 41 171.425 173.740 -2.315 1
1 482 . 5 1 1 A 41 41 TYR H H 41 8.703 8.996 -0.293 1
1 483 . 5 1 1 A 41 41 TYR HA H 41 4.795 5.020 -0.225 1
1 487 . 5 1 1 A 42 42 VAL N N 42 119.919 127.139 -7.220 1
1 488 . 5 1 1 A 42 42 VAL CA C 42 60.064 61.634 -1.570 1
1 489 . 5 1 1 A 42 42 VAL CB C 42 33.816 32.558 1.258 1
1 492 . 5 1 1 A 42 42 VAL C C 42 174.456 174.611 -0.155 1
1 493 . 5 1 1 A 42 42 VAL HA H 42 5.020 4.594 0.426 1
1 501 . 5 1 1 A 43 43 LYS N N 43 125.776 128.426 -2.650 1
1 502 . 5 1 1 A 43 43 LYS CA C 43 54.601 56.119 -1.518 1
1 503 . 5 1 1 A 43 43 LYS CB C 43 36.096 33.136 2.960 1
1 507 . 5 1 1 A 43 43 LYS C C 43 174.518 175.472 -0.954 1
1 508 . 5 1 1 A 43 43 LYS H H 43 9.415 9.598 -0.183 1
1 509 . 5 1 1 A 43 43 LYS HA H 43 5.374 4.940 0.434 1
1 518 . 5 1 1 A 44 44 VAL N N 44 121.484 125.511 -4.027 1
1 519 . 5 1 1 A 44 44 VAL CA C 44 59.365 61.054 -1.689 1
1 520 . 5 1 1 A 44 44 VAL CB C 44 34.818 32.446 2.372 1
1 523 . 5 1 1 A 44 44 VAL C C 44 173.928 175.332 -1.404 1
1 524 . 5 1 1 A 44 44 VAL H H 44 8.845 8.752 0.093 1
1 525 . 5 1 1 A 44 44 VAL HA H 44 5.326 4.674 0.652 1
1 533 . 5 1 1 A 45 45 PHE N N 45 120.600 123.593 -2.993 1
1 534 . 5 1 1 A 45 45 PHE CA C 45 55.886 55.676 0.210 1
1 535 . 5 1 1 A 45 45 PHE CB C 45 39.882 41.923 -2.041 1
1 536 . 5 1 1 A 45 45 PHE C C 45 171.102 172.350 -1.248 1
1 537 . 5 1 1 A 45 45 PHE H H 45 8.254 8.111 0.143 1
1 538 . 5 1 1 A 45 45 PHE HA H 45 4.971 5.448 -0.477 1
1 541 . 5 1 1 A 46 46 LEU N N 46 121.444 120.434 1.010 1
1 542 . 5 1 1 A 46 46 LEU CA C 46 52.376 53.444 -1.068 1
1 543 . 5 1 1 A 46 46 LEU CB C 46 43.229 45.026 -1.797 1
1 547 . 5 1 1 A 46 46 LEU C C 46 176.176 175.279 0.897 1
1 548 . 5 1 1 A 46 46 LEU H H 46 9.137 9.077 0.060 1
1 549 . 5 1 1 A 46 46 LEU HA H 46 4.189 5.340 -1.151 1
1 559 . 5 1 1 A 47 47 LEU N N 47 123.900 124.032 -0.132 1
1 560 . 5 1 1 A 47 47 LEU CA C 47 52.926 52.426 0.500 1
1 561 . 5 1 1 A 47 47 LEU CB C 47 41.010 43.542 -2.532 1
1 565 . 5 1 1 A 47 47 LEU C C 47 175.800 177.294 -1.494 1
1 566 . 5 1 1 A 47 47 LEU H H 47 8.945 8.915 0.030 1
1 567 . 5 1 1 A 47 47 LEU HA H 47 4.185 4.670 -0.485 1
1 577 . 5 1 1 A 48 48 PRO CA C 48 62.992 65.063 -2.071 1
1 578 . 5 1 1 A 48 48 PRO CB C 48 24.080 32.021 -7.941 1
1 581 . 5 1 1 A 48 48 PRO C C 48 176.188 177.673 -1.485 1
1 582 . 5 1 1 A 48 48 PRO HA H 48 4.474 4.266 0.208 1
1 588 . 5 1 1 A 49 49 ASP N N 49 113.800 116.395 -2.595 1
1 589 . 5 1 1 A 49 49 ASP CA C 49 55.199 56.872 -1.673 1
1 590 . 5 1 1 A 49 49 ASP CB C 49 40.158 41.434 -1.276 1
1 591 . 5 1 1 A 49 49 ASP C C 49 175.304 175.901 -0.597 1
1 592 . 5 1 1 A 49 49 ASP H H 49 8.467 8.601 -0.134 1
1 593 . 5 1 1 A 49 49 ASP HA H 49 4.576 4.452 0.124 1
1 596 . 5 1 1 A 50 50 LYS N N 50 120.081 118.110 1.971 1
1 597 . 5 1 1 A 50 50 LYS CA C 50 56.803 57.423 -0.620 1
1 598 . 5 1 1 A 50 50 LYS CB C 50 32.059 29.530 2.529 1
1 602 . 5 1 1 A 50 50 LYS H H 50 8.329 7.877 0.452 1
1 603 . 5 1 1 A 50 50 LYS HA H 50 3.949 4.005 -0.056 1
1 604 . 5 1 1 A 50 50 LYS C C 50 175.754 176.549 -0.795 1
1 613 . 5 1 1 A 51 51 LYS N N 51 117.896 117.075 0.821 1
1 614 . 5 1 1 A 51 51 LYS CA C 51 57.360 56.058 1.302 1
1 615 . 5 1 1 A 51 51 LYS CB C 51 32.230 32.793 -0.563 1
1 619 . 5 1 1 A 51 51 LYS H H 51 8.099 8.773 -0.674 1
1 620 . 5 1 1 A 51 51 LYS HA H 51 3.950 4.450 -0.500 1
1 621 . 5 1 1 A 51 51 LYS C C 51 176.619 175.670 0.949 1
1 630 . 5 1 1 A 52 52 LYS N N 52 120.200 118.498 1.702 1
1 631 . 5 1 1 A 52 52 LYS CA C 52 54.688 55.185 -0.497 1
1 632 . 5 1 1 A 52 52 LYS CB C 52 31.829 33.536 -1.707 1
1 636 . 5 1 1 A 52 52 LYS H H 52 7.447 7.715 -0.268 1
1 637 . 5 1 1 A 52 52 LYS HA H 52 4.259 4.836 -0.577 1
1 638 . 5 1 1 A 52 52 LYS C C 52 173.420 175.109 -1.689 1
1 647 . 5 1 1 A 53 53 LYS N N 53 123.119 124.231 -1.112 1
1 648 . 5 1 1 A 53 53 LYS CA C 53 53.698 55.383 -1.685 1
1 649 . 5 1 1 A 53 53 LYS CB C 53 41.592 33.050 8.542 1
1 653 . 5 1 1 A 53 53 LYS H H 53 7.810 8.834 -1.024 1
1 654 . 5 1 1 A 53 53 LYS HA H 53 5.004 4.952 0.052 1
1 655 . 5 1 1 A 53 53 LYS C C 53 174.468 175.333 -0.865 1
1 664 . 5 1 1 A 54 54 PHE N N 54 120.200 126.142 -5.942 1
1 665 . 5 1 1 A 54 54 PHE CA C 54 56.583 56.679 -0.096 1
1 666 . 5 1 1 A 54 54 PHE CB C 54 42.110 42.490 -0.380 1
1 667 . 5 1 1 A 54 54 PHE C C 54 173.801 174.117 -0.316 1
1 668 . 5 1 1 A 54 54 PHE H H 54 8.490 8.553 -0.063 1
1 669 . 5 1 1 A 54 54 PHE HA H 54 4.680 5.082 -0.402 1
1 672 . 5 1 1 A 55 55 GLU N N 55 117.600 126.188 -8.588 1
1 673 . 5 1 1 A 55 55 GLU CA C 55 53.537 55.652 -2.115 1
1 674 . 5 1 1 A 55 55 GLU CB C 55 33.241 32.060 1.181 1
1 676 . 5 1 1 A 55 55 GLU C C 55 176.694 174.830 1.864 1
1 677 . 5 1 1 A 55 55 GLU H H 55 8.309 7.433 0.876 1
1 678 . 5 1 1 A 55 55 GLU HA H 55 5.690 4.734 0.956 1
1 683 . 5 1 1 A 56 56 THR N N 56 111.700 118.191 -6.491 1
1 684 . 5 1 1 A 56 56 THR CA C 56 60.989 60.329 0.660 1
1 685 . 5 1 1 A 56 56 THR CB C 56 71.860 70.137 1.723 1
1 687 . 5 1 1 A 56 56 THR C C 56 174.385 174.279 0.106 1
1 688 . 5 1 1 A 56 56 THR H H 56 8.775 8.076 0.699 1
1 689 . 5 1 1 A 56 56 THR HA H 56 4.838 4.580 0.258 1
1 692 . 5 1 1 A 57 57 LYS N N 57 119.500 122.672 -3.172 1
1 693 . 5 1 1 A 57 57 LYS CA C 57 56.775 56.228 0.547 1
1 694 . 5 1 1 A 57 57 LYS CB C 57 32.743 33.075 -0.332 1
1 698 . 5 1 1 A 57 57 LYS H H 57 9.787 7.322 2.465 1
1 699 . 5 1 1 A 57 57 LYS HA H 57 4.151 4.212 -0.061 1
1 700 . 5 1 1 A 57 57 LYS C C 57 177.417 176.364 1.053 1
1 709 . 5 1 1 A 58 58 VAL N N 58 123.100 125.730 -2.630 1
1 710 . 5 1 1 A 58 58 VAL CA C 58 61.870 62.809 -0.939 1
1 711 . 5 1 1 A 58 58 VAL CB C 58 32.081 31.607 0.474 1
1 714 . 5 1 1 A 58 58 VAL C C 58 176.850 175.518 1.332 1
1 715 . 5 1 1 A 58 58 VAL H H 58 8.120 8.337 -0.217 1
1 716 . 5 1 1 A 58 58 VAL HA H 58 4.284 4.048 0.236 1
1 724 . 5 1 1 A 59 59 HIS N N 59 128.800 127.461 1.339 1
1 725 . 5 1 1 A 59 59 HIS CA C 59 54.311 54.984 -0.673 1
1 726 . 5 1 1 A 59 59 HIS CB C 59 30.426 28.752 1.674 1
1 727 . 5 1 1 A 59 59 HIS C C 59 172.101 175.084 -2.983 1
1 728 . 5 1 1 A 59 59 HIS H H 59 8.550 8.468 0.082 1
1 729 . 5 1 1 A 59 59 HIS HA H 59 4.457 4.984 -0.527 1
1 732 . 5 1 1 A 60 60 ARG N N 60 118.700 123.599 -4.899 1
1 733 . 5 1 1 A 60 60 ARG CA C 60 55.702 56.447 -0.745 1
1 734 . 5 1 1 A 60 60 ARG CB C 60 30.713 30.412 0.301 1
1 737 . 5 1 1 A 60 60 ARG C C 60 176.252 176.035 0.217 1
1 738 . 5 1 1 A 60 60 ARG H H 60 8.211 8.584 -0.373 1
1 739 . 5 1 1 A 60 60 ARG HA H 60 4.389 4.641 -0.252 1
1 746 . 5 1 1 A 61 61 LYS N N 61 122.500 118.262 4.238 1
1 747 . 5 1 1 A 61 61 LYS CA C 61 55.977 57.136 -1.159 1
1 748 . 5 1 1 A 61 61 LYS CB C 61 29.711 29.525 0.186 1
1 752 . 5 1 1 A 61 61 LYS H H 61 9.608 9.214 0.394 1
1 753 . 5 1 1 A 61 61 LYS HA H 61 3.946 3.837 0.109 1
1 754 . 5 1 1 A 61 61 LYS C C 61 175.083 175.148 -0.065 1
1 763 . 5 1 1 A 62 62 THR N N 62 113.400 112.645 0.755 1
1 764 . 5 1 1 A 62 62 THR CA C 62 59.755 61.384 -1.629 1
1 765 . 5 1 1 A 62 62 THR CB C 62 63.417 71.466 -8.049 1
1 767 . 5 1 1 A 62 62 THR C C 62 170.120 172.579 -2.459 1
1 768 . 5 1 1 A 62 62 THR H H 62 8.470 7.795 0.675 1
1 769 . 5 1 1 A 62 62 THR HA H 62 4.703 4.719 -0.016 1
1 772 . 5 1 1 A 63 63 LEU N N 63 123.100 128.661 -5.561 1
1 773 . 5 1 1 A 63 63 LEU CA C 63 52.833 53.970 -1.137 1
1 774 . 5 1 1 A 63 63 LEU CB C 63 40.311 41.773 -1.462 1
1 778 . 5 1 1 A 63 63 LEU C C 63 175.135 176.636 -1.501 1
1 779 . 5 1 1 A 63 63 LEU H H 63 8.257 8.634 -0.377 1
1 780 . 5 1 1 A 63 63 LEU HA H 63 4.483 4.645 -0.162 1
1 790 . 5 1 1 A 64 64 ASN N N 64 114.829 118.097 -3.268 1
1 792 . 5 1 1 A 64 64 ASN CA C 64 50.610 50.283 0.327 1
1 793 . 5 1 1 A 64 64 ASN CB C 64 40.550 38.929 1.621 1
1 794 . 5 1 1 A 64 64 ASN C C 64 171.500 173.160 -1.660 1
1 795 . 5 1 1 A 64 64 ASN H H 64 8.306 7.977 0.329 1
1 796 . 5 1 1 A 64 64 ASN HA H 64 5.450 5.316 0.134 1
1 801 . 5 1 1 A 65 65 PRO CA C 65 61.914 62.061 -0.147 1
1 802 . 5 1 1 A 65 65 PRO CB C 65 30.780 32.324 -1.544 1
1 805 . 5 1 1 A 65 65 PRO C C 65 173.852 176.189 -2.337 1
1 806 . 5 1 1 A 65 65 PRO HA H 65 3.970 4.889 -0.919 1
1 813 . 5 1 1 A 66 66 VAL N N 66 121.000 115.981 5.019 1
1 814 . 5 1 1 A 66 66 VAL CA C 66 61.782 60.072 1.710 1
1 815 . 5 1 1 A 66 66 VAL CB C 66 32.721 33.577 -0.856 1
1 818 . 5 1 1 A 66 66 VAL C C 66 175.152 175.594 -0.442 1
1 819 . 5 1 1 A 66 66 VAL H H 66 7.926 8.140 -0.214 1
1 820 . 5 1 1 A 66 66 VAL HA H 66 3.807 4.808 -1.001 1
1 828 . 5 1 1 A 67 67 PHE N N 67 123.400 126.355 -2.955 1
1 829 . 5 1 1 A 67 67 PHE CA C 67 59.262 60.940 -1.678 1
1 830 . 5 1 1 A 67 67 PHE CB C 67 39.849 40.010 -0.161 1
1 831 . 5 1 1 A 67 67 PHE C C 67 175.748 175.425 0.323 1
1 832 . 5 1 1 A 67 67 PHE H H 67 8.150 8.963 -0.813 1
1 833 . 5 1 1 A 67 67 PHE HA H 67 4.378 4.368 0.010 1
1 836 . 5 1 1 A 68 68 ASN N N 68 117.500 116.930 0.570 1
1 837 . 5 1 1 A 68 68 ASN CA C 68 53.983 53.851 0.132 1
1 838 . 5 1 1 A 68 68 ASN CB C 68 37.351 36.824 0.527 1
1 839 . 5 1 1 A 68 68 ASN C C 68 173.314 174.953 -1.639 1
1 840 . 5 1 1 A 68 68 ASN H H 68 8.920 8.925 -0.005 1
1 841 . 5 1 1 A 68 68 ASN HA H 68 4.350 4.817 -0.467 1
1 847 . 5 1 1 A 69 69 GLU N N 69 116.000 121.744 -5.744 1
1 848 . 5 1 1 A 69 69 GLU CA C 69 55.742 55.108 0.634 1
1 849 . 5 1 1 A 69 69 GLU CB C 69 34.663 32.106 2.557 1
1 851 . 5 1 1 A 69 69 GLU C C 69 174.165 174.971 -0.806 1
1 852 . 5 1 1 A 69 69 GLU H H 69 7.931 7.925 0.006 1
1 853 . 5 1 1 A 69 69 GLU HA H 69 4.638 4.989 -0.351 1
1 858 . 5 1 1 A 70 70 GLN N N 70 121.500 126.591 -5.091 1
1 860 . 5 1 1 A 70 70 GLN CA C 70 53.807 55.467 -1.660 1
1 861 . 5 1 1 A 70 70 GLN CB C 70 31.750 29.363 2.387 1
1 863 . 5 1 1 A 70 70 GLN C C 70 173.068 174.544 -1.476 1
1 864 . 5 1 1 A 70 70 GLN H H 70 8.174 8.762 -0.588 1
1 865 . 5 1 1 A 70 70 GLN HA H 70 4.985 4.731 0.254 1
1 872 . 5 1 1 A 71 71 PHE N N 71 124.300 122.147 2.153 1
1 873 . 5 1 1 A 71 71 PHE CA C 71 55.249 56.490 -1.241 1
1 874 . 5 1 1 A 71 71 PHE CB C 71 42.133 40.968 1.165 1
1 875 . 5 1 1 A 71 71 PHE C C 71 173.570 174.587 -1.017 1
1 876 . 5 1 1 A 71 71 PHE H H 71 9.040 8.862 0.178 1
1 877 . 5 1 1 A 71 71 PHE HA H 71 4.528 4.951 -0.423 1
1 880 . 5 1 1 A 72 72 THR N N 72 114.000 116.094 -2.094 1
1 881 . 5 1 1 A 72 72 THR CA C 72 59.491 61.112 -1.621 1
1 882 . 5 1 1 A 72 72 THR CB C 72 70.623 72.672 -2.049 1
1 884 . 5 1 1 A 72 72 THR C C 72 172.834 172.798 0.036 1
1 885 . 5 1 1 A 72 72 THR H H 72 7.763 8.527 -0.764 1
1 886 . 5 1 1 A 72 72 THR HA H 72 5.212 4.773 0.439 1
1 889 . 5 1 1 A 73 73 PHE N N 73 120.900 124.646 -3.746 1
1 890 . 5 1 1 A 73 73 PHE CA C 73 56.071 56.082 -0.011 1
1 891 . 5 1 1 A 73 73 PHE CB C 73 41.570 38.989 2.581 1
1 892 . 5 1 1 A 73 73 PHE C C 73 174.890 174.059 0.831 1
1 893 . 5 1 1 A 73 73 PHE H H 73 8.983 9.104 -0.121 1
1 894 . 5 1 1 A 73 73 PHE HA H 73 4.750 5.311 -0.561 1
1 897 . 5 1 1 A 74 74 LYS N N 74 127.500 125.982 1.518 1
1 898 . 5 1 1 A 74 74 LYS CA C 74 56.186 55.260 0.926 1
1 899 . 5 1 1 A 74 74 LYS CB C 74 30.577 34.286 -3.709 1
1 903 . 5 1 1 A 74 74 LYS C C 74 174.575 175.679 -1.104 1
1 904 . 5 1 1 A 74 74 LYS H H 74 9.063 8.635 0.428 1
1 905 . 5 1 1 A 74 74 LYS HA H 74 4.690 4.977 -0.287 1
1 914 . 5 1 1 A 75 75 VAL N N 75 126.600 123.532 3.068 1
1 915 . 5 1 1 A 75 75 VAL CA C 75 57.737 58.890 -1.153 1
1 916 . 5 1 1 A 75 75 VAL CB C 75 35.160 33.443 1.717 1
1 919 . 5 1 1 A 75 75 VAL C C 75 171.500 174.988 -3.488 1
1 920 . 5 1 1 A 75 75 VAL H H 75 7.546 8.669 -1.123 1
1 921 . 5 1 1 A 75 75 VAL HA H 75 4.650 5.015 -0.365 1
1 929 . 5 1 1 A 76 76 PRO CA C 76 62.476 62.963 -0.487 1
1 930 . 5 1 1 A 76 76 PRO CB C 76 32.143 32.854 -0.711 1
1 933 . 5 1 1 A 76 76 PRO C C 76 176.991 177.109 -0.118 1
1 934 . 5 1 1 A 76 76 PRO HA H 76 4.329 4.997 -0.668 1
1 941 . 5 1 1 A 77 77 TYR N N 77 128.500 124.649 3.851 1
1 942 . 5 1 1 A 77 77 TYR CA C 77 61.772 60.720 1.052 1
1 943 . 5 1 1 A 77 77 TYR CB C 77 37.898 37.582 0.316 1
1 944 . 5 1 1 A 77 77 TYR C C 77 177.516 177.832 -0.316 1
1 945 . 5 1 1 A 77 77 TYR H H 77 8.626 8.742 -0.116 1
1 946 . 5 1 1 A 77 77 TYR HA H 77 3.403 4.301 -0.898 1
1 950 . 5 1 1 A 78 78 SER N N 78 110.600 116.656 -6.056 1
1 951 . 5 1 1 A 78 78 SER H H 78 8.509 7.993 0.516 1
1 952 . 5 1 1 A 78 78 SER CA C 78 60.064 61.556 -1.492 1
1 953 . 5 1 1 A 78 78 SER CB C 78 62.022 62.877 -0.855 1
1 954 . 5 1 1 A 78 78 SER C C 78 175.292 177.019 -1.727 1
1 955 . 5 1 1 A 78 78 SER HA H 78 3.940 4.034 -0.094 1
1 958 . 5 1 1 A 79 79 GLU N N 79 119.000 120.826 -1.826 1
1 959 . 5 1 1 A 79 79 GLU CA C 79 55.273 58.512 -3.239 1
1 960 . 5 1 1 A 79 79 GLU CB C 79 30.302 29.648 0.654 1
1 962 . 5 1 1 A 79 79 GLU C C 79 177.218 178.745 -1.527 1
1 963 . 5 1 1 A 79 79 GLU H H 79 7.411 8.049 -0.638 1
1 964 . 5 1 1 A 79 79 GLU HA H 79 4.280 4.174 0.106 1
1 969 . 5 1 1 A 80 80 LEU N N 80 121.600 120.804 0.796 1
1 970 . 5 1 1 A 80 80 LEU CA C 80 57.376 57.814 -0.438 1
1 971 . 5 1 1 A 80 80 LEU CB C 80 41.916 41.837 0.079 1
1 975 . 5 1 1 A 80 80 LEU C C 80 177.098 178.537 -1.439 1
1 976 . 5 1 1 A 80 80 LEU H H 80 7.311 8.623 -1.312 1
1 977 . 5 1 1 A 80 80 LEU HA H 80 3.643 4.004 -0.361 1
1 987 . 5 1 1 A 81 81 GLY N N 81 102.900 106.955 -4.055 1
1 988 . 5 1 1 A 81 81 GLY CA C 81 46.638 47.485 -0.847 1
1 989 . 5 1 1 A 81 81 GLY C C 81 174.240 176.661 -2.421 1
1 990 . 5 1 1 A 81 81 GLY H H 81 7.860 8.592 -0.732 1
1 991 . 5 1 1 A 81 81 GLY HA3 H 81 3.744 3.798 -0.054 1
1 992 . 5 1 1 A 81 81 GLY HA2 H 81 3.434 3.795 -0.361 1
1 993 . 5 1 1 A 82 82 GLY N N 82 105.900 108.630 -2.730 1
1 994 . 5 1 1 A 82 82 GLY CA C 82 44.289 46.896 -2.607 1
1 995 . 5 1 1 A 82 82 GLY C C 82 174.591 174.589 0.002 1
1 996 . 5 1 1 A 82 82 GLY H H 82 7.396 8.162 -0.766 1
1 997 . 5 1 1 A 82 82 GLY HA3 H 82 4.267 3.925 0.342 1
1 998 . 5 1 1 A 82 82 GLY HA2 H 82 3.760 3.923 -0.163 1
1 999 . 5 1 1 A 83 83 LYS N N 83 119.000 119.320 -0.320 1
1 1000 . 5 1 1 A 83 83 LYS CA C 83 53.818 55.193 -1.375 1
1 1001 . 5 1 1 A 83 83 LYS CB C 83 33.814 33.415 0.399 1
1 1005 . 5 1 1 A 83 83 LYS H H 83 7.888 7.656 0.232 1
1 1006 . 5 1 1 A 83 83 LYS HA H 83 4.366 4.617 -0.251 1
1 1007 . 5 1 1 A 83 83 LYS C C 83 176.518 175.932 0.586 1
1 1015 . 5 1 1 A 84 84 THR N N 84 118.500 117.191 1.309 1
1 1016 . 5 1 1 A 84 84 THR CA C 84 61.914 62.108 -0.194 1
1 1017 . 5 1 1 A 84 84 THR CB C 84 71.340 70.378 0.962 1
1 1019 . 5 1 1 A 84 84 THR C C 84 171.750 173.551 -1.801 1
1 1020 . 5 1 1 A 84 84 THR H H 84 8.248 8.621 -0.373 1
1 1021 . 5 1 1 A 84 84 THR HA H 84 4.638 4.807 -0.169 1
1 1024 . 5 1 1 A 85 85 LEU N N 85 130.500 130.307 0.193 1
1 1025 . 5 1 1 A 85 85 LEU CA C 85 53.982 53.932 0.050 1
1 1026 . 5 1 1 A 85 85 LEU CB C 85 43.826 43.265 0.561 1
1 1030 . 5 1 1 A 85 85 LEU C C 85 173.417 175.510 -2.093 1
1 1031 . 5 1 1 A 85 85 LEU H H 85 8.430 8.866 -0.436 1
1 1032 . 5 1 1 A 85 85 LEU HA H 85 4.417 4.776 -0.359 1
1 1042 . 5 1 1 A 86 86 VAL N N 86 127.723 121.486 6.237 1
1 1043 . 5 1 1 A 86 86 VAL CA C 86 61.206 59.466 1.740 1
1 1044 . 5 1 1 A 86 86 VAL CB C 86 31.856 34.154 -2.298 1
1 1047 . 5 1 1 A 86 86 VAL C C 86 173.599 174.609 -1.010 1
1 1048 . 5 1 1 A 86 86 VAL H H 86 8.771 8.848 -0.077 1
1 1049 . 5 1 1 A 86 86 VAL HA H 86 4.151 4.694 -0.543 1
1 1057 . 5 1 1 A 87 87 MET N N 87 122.600 123.292 -0.692 1
1 1058 . 5 1 1 A 87 87 MET CA C 87 53.654 52.986 0.668 1
1 1059 . 5 1 1 A 87 87 MET CB C 87 31.288 34.970 -3.682 1
1 1061 . 5 1 1 A 87 87 MET C C 87 172.749 174.683 -1.934 1
1 1062 . 5 1 1 A 87 87 MET H H 87 7.503 9.061 -1.558 1
1 1063 . 5 1 1 A 87 87 MET HA H 87 4.706 5.133 -0.427 1
1 1068 . 5 1 1 A 88 88 ALA N N 88 124.200 122.337 1.863 1
1 1069 . 5 1 1 A 88 88 ALA CA C 88 50.017 50.808 -0.791 1
1 1070 . 5 1 1 A 88 88 ALA CB C 88 23.107 21.582 1.525 1
1 1071 . 5 1 1 A 88 88 ALA C C 88 174.558 176.283 -1.725 1
1 1072 . 5 1 1 A 88 88 ALA H H 88 8.755 9.071 -0.316 1
1 1073 . 5 1 1 A 88 88 ALA HA H 88 4.948 5.178 -0.230 1
1 1077 . 5 1 1 A 89 89 VAL N N 89 122.900 121.565 1.335 1
1 1078 . 5 1 1 A 89 89 VAL CA C 89 60.881 61.896 -1.015 1
1 1079 . 5 1 1 A 89 89 VAL CB C 89 31.541 32.401 -0.860 1
1 1082 . 5 1 1 A 89 89 VAL C C 89 173.707 174.677 -0.970 1
1 1083 . 5 1 1 A 89 89 VAL H H 89 8.813 8.430 0.383 1
1 1084 . 5 1 1 A 89 89 VAL HA H 89 4.652 4.691 -0.039 1
1 1092 . 5 1 1 A 90 90 TYR N N 90 128.400 128.000 0.400 1
1 1093 . 5 1 1 A 90 90 TYR CA C 90 56.230 56.269 -0.039 1
1 1094 . 5 1 1 A 90 90 TYR CB C 90 43.211 42.032 1.179 1
1 1095 . 5 1 1 A 90 90 TYR C C 90 173.024 173.642 -0.618 1
1 1096 . 5 1 1 A 90 90 TYR H H 90 9.067 9.941 -0.874 1
1 1097 . 5 1 1 A 90 90 TYR HA H 90 4.766 5.439 -0.673 1
1 1101 . 5 1 1 A 91 91 ASP N N 91 116.300 129.681 -13.381 1
1 1102 . 5 1 1 A 91 91 ASP CA C 91 51.800 53.138 -1.338 1
1 1103 . 5 1 1 A 91 91 ASP CB C 91 42.265 42.728 -0.463 1
1 1104 . 5 1 1 A 91 91 ASP C C 91 175.823 175.407 0.416 1
1 1105 . 5 1 1 A 91 91 ASP H H 91 8.700 8.901 -0.201 1
1 1106 . 5 1 1 A 91 91 ASP HA H 91 5.098 5.321 -0.223 1
1 1109 . 5 1 1 A 92 92 PHE N N 92 128.100 128.213 -0.113 1
1 1110 . 5 1 1 A 92 92 PHE CA C 92 58.830 56.641 2.189 1
1 1111 . 5 1 1 A 92 92 PHE CB C 92 31.850 38.869 -7.019 1
1 1112 . 5 1 1 A 92 92 PHE C C 92 173.437 175.622 -2.185 1
1 1113 . 5 1 1 A 92 92 PHE H H 92 9.540 8.967 0.573 1
1 1114 . 5 1 1 A 92 92 PHE HA H 92 4.480 5.049 -0.569 1
1 1117 . 5 1 1 A 93 93 ASP N N 93 122.100 124.824 -2.724 1
1 1118 . 5 1 1 A 93 93 ASP CA C 93 53.701 52.887 0.814 1
1 1119 . 5 1 1 A 93 93 ASP CB C 93 41.736 40.164 1.572 1
1 1120 . 5 1 1 A 93 93 ASP C C 93 175.548 176.697 -1.149 1
1 1121 . 5 1 1 A 93 93 ASP H H 93 7.812 8.623 -0.811 1
1 1122 . 5 1 1 A 93 93 ASP HA H 93 4.480 4.728 -0.248 1
1 1125 . 5 1 1 A 94 94 ARG N N 94 121.500 117.820 3.680 1
1 1126 . 5 1 1 A 94 94 ARG CA C 94 56.142 56.996 -0.854 1
1 1127 . 5 1 1 A 94 94 ARG CB C 94 30.173 27.876 2.297 1
1 1129 . 5 1 1 A 94 94 ARG C C 94 175.795 175.131 0.664 1
1 1130 . 5 1 1 A 94 94 ARG H H 94 8.264 7.390 0.874 1
1 1131 . 5 1 1 A 94 94 ARG HA H 94 4.000 3.447 0.553 1
1 1138 . 5 1 1 A 95 95 PHE N N 95 118.600 118.715 -0.115 1
1 1139 . 5 1 1 A 95 95 PHE CA C 95 59.850 59.030 0.820 1
1 1140 . 5 1 1 A 95 95 PHE CB C 95 38.955 40.395 -1.440 1
1 1141 . 5 1 1 A 95 95 PHE C C 95 172.969 174.874 -1.905 1
1 1142 . 5 1 1 A 95 95 PHE H H 95 6.889 7.186 -0.297 1
1 1143 . 5 1 1 A 95 95 PHE HA H 95 4.373 4.744 -0.371 1
1 1146 . 5 1 1 A 96 96 SER N N 96 114.200 111.833 2.367 1
1 1147 . 5 1 1 A 96 96 SER H H 96 8.027 7.661 0.366 1
1 1148 . 5 1 1 A 96 96 SER CA C 96 57.596 57.815 -0.219 1
1 1149 . 5 1 1 A 96 96 SER CB C 96 63.494 64.946 -1.452 1
1 1150 . 5 1 1 A 96 96 SER C C 96 174.149 174.141 0.008 1
1 1151 . 5 1 1 A 96 96 SER HA H 96 4.220 4.245 -0.025 1
1 1154 . 5 1 1 A 97 97 LYS N N 97 121.600 118.117 3.483 1
1 1155 . 5 1 1 A 97 97 LYS CA C 97 58.206 56.312 1.894 1
1 1156 . 5 1 1 A 97 97 LYS CB C 97 31.860 32.466 -0.606 1
1 1159 . 5 1 1 A 97 97 LYS H H 97 8.264 8.189 0.075 1
1 1160 . 5 1 1 A 97 97 LYS HA H 97 4.202 4.164 0.038 1
1 1161 . 5 1 1 A 97 97 LYS C C 97 175.599 176.240 -0.641 1
1 1170 . 5 1 1 A 98 98 HIS N N 98 119.000 122.728 -3.728 1
1 1171 . 5 1 1 A 98 98 HIS CA C 98 54.159 57.062 -2.903 1
1 1172 . 5 1 1 A 98 98 HIS CB C 98 30.040 29.977 0.063 1
1 1173 . 5 1 1 A 98 98 HIS C C 98 174.050 174.382 -0.332 1
1 1174 . 5 1 1 A 98 98 HIS H H 98 8.350 8.666 -0.316 1
1 1175 . 5 1 1 A 98 98 HIS HA H 98 4.784 5.179 -0.395 1
1 1178 . 5 1 1 A 99 99 ASP N N 99 122.600 125.102 -2.502 1
1 1179 . 5 1 1 A 99 99 ASP CA C 99 53.806 53.569 0.237 1
1 1180 . 5 1 1 A 99 99 ASP CB C 99 41.074 42.193 -1.119 1
1 1181 . 5 1 1 A 99 99 ASP C C 99 174.346 175.649 -1.303 1
1 1182 . 5 1 1 A 99 99 ASP H H 99 8.812 8.825 -0.013 1
1 1183 . 5 1 1 A 99 99 ASP HA H 99 4.781 4.791 -0.010 1
1 1186 . 5 1 1 A 100 100 ILE N N 100 122.400 126.097 -3.697 1
1 1187 . 5 1 1 A 100 100 ILE CA C 100 60.989 61.991 -1.002 1
1 1188 . 5 1 1 A 100 100 ILE CB C 100 38.823 37.439 1.384 1
1 1192 . 5 1 1 A 100 100 ILE C C 100 174.431 175.450 -1.019 1
1 1193 . 5 1 1 A 100 100 ILE H H 100 8.075 8.554 -0.479 1
1 1194 . 5 1 1 A 100 100 ILE HA H 100 3.405 3.766 -0.361 1
1 1204 . 5 1 1 A 101 101 ILE N N 101 127.400 128.626 -1.226 1
1 1205 . 5 1 1 A 101 101 ILE CA C 101 63.380 64.047 -0.667 1
1 1206 . 5 1 1 A 101 101 ILE CB C 101 38.058 38.691 -0.633 1
1 1210 . 5 1 1 A 101 101 ILE C C 101 175.859 176.337 -0.478 1
1 1211 . 5 1 1 A 101 101 ILE H H 101 9.219 9.208 0.011 1
1 1212 . 5 1 1 A 101 101 ILE HA H 101 3.869 3.966 -0.097 1
1 1219 . 5 1 1 A 102 102 GLY N N 102 101.500 103.966 -2.466 1
1 1220 . 5 1 1 A 102 102 GLY CA C 102 45.259 46.050 -0.791 1
1 1221 . 5 1 1 A 102 102 GLY C C 102 169.614 171.405 -1.791 1
1 1222 . 5 1 1 A 102 102 GLY H H 102 7.241 7.197 0.044 1
1 1223 . 5 1 1 A 102 102 GLY HA3 H 102 4.024 4.115 -0.091 1
1 1224 . 5 1 1 A 102 102 GLY HA2 H 102 3.811 4.108 -0.297 1
1 1225 . 5 1 1 A 103 103 GLU N N 103 117.100 119.851 -2.751 1
1 1226 . 5 1 1 A 103 103 GLU CA C 103 54.229 56.084 -1.855 1
1 1227 . 5 1 1 A 103 103 GLU CB C 103 34.012 33.398 0.614 1
1 1229 . 5 1 1 A 103 103 GLU C C 103 173.993 174.422 -0.429 1
1 1230 . 5 1 1 A 103 103 GLU H H 103 9.499 8.713 0.786 1
1 1231 . 5 1 1 A 103 103 GLU HA H 103 5.513 5.354 0.159 1
1 1236 . 5 1 1 A 104 104 PHE N N 104 115.900 126.510 -10.610 1
1 1237 . 5 1 1 A 104 104 PHE CA C 104 58.037 57.897 0.140 1
1 1238 . 5 1 1 A 104 104 PHE CB C 104 41.030 42.697 -1.667 1
1 1239 . 5 1 1 A 104 104 PHE C C 104 171.749 173.664 -1.915 1
1 1240 . 5 1 1 A 104 104 PHE H H 104 8.525 8.554 -0.029 1
1 1241 . 5 1 1 A 104 104 PHE HA H 104 4.731 4.959 -0.228 1
1 1244 . 5 1 1 A 105 105 LYS N N 105 118.900 126.210 -7.310 1
1 1245 . 5 1 1 A 105 105 LYS CA C 105 53.771 53.905 -0.134 1
1 1246 . 5 1 1 A 105 105 LYS CB C 105 34.953 36.637 -1.684 1
1 1250 . 5 1 1 A 105 105 LYS H H 105 7.805 8.268 -0.463 1
1 1251 . 5 1 1 A 105 105 LYS HA H 105 5.188 4.775 0.413 1
1 1252 . 5 1 1 A 105 105 LYS C C 105 175.389 174.256 1.133 1
1 1261 . 5 1 1 A 106 106 VAL N N 106 121.400 120.127 1.273 1
1 1262 . 5 1 1 A 106 106 VAL CA C 106 58.522 58.221 0.301 1
1 1263 . 5 1 1 A 106 106 VAL CB C 106 34.050 34.990 -0.940 1
1 1266 . 5 1 1 A 106 106 VAL C C 106 173.300 173.277 0.023 1
1 1267 . 5 1 1 A 106 106 VAL H H 106 9.276 8.305 0.971 1
1 1268 . 5 1 1 A 106 106 VAL HA H 106 4.430 4.551 -0.121 1
1 1276 . 5 1 1 A 107 107 PRO CA C 107 62.265 63.153 -0.888 1
1 1277 . 5 1 1 A 107 107 PRO CB C 107 31.157 32.285 -1.128 1
1 1280 . 5 1 1 A 107 107 PRO C C 107 178.967 178.028 0.939 1
1 1281 . 5 1 1 A 107 107 PRO HA H 107 4.703 4.455 0.248 1
1 1288 . 5 1 1 A 108 108 MET N N 108 126.300 123.840 2.460 1
1 1289 . 5 1 1 A 108 108 MET CA C 108 56.728 57.637 -0.909 1
1 1290 . 5 1 1 A 108 108 MET CB C 108 32.909 32.132 0.777 1
1 1292 . 5 1 1 A 108 108 MET C C 108 176.858 178.343 -1.485 1
1 1293 . 5 1 1 A 108 108 MET H H 108 8.716 8.604 0.112 1
1 1294 . 5 1 1 A 108 108 MET HA H 108 4.483 4.244 0.239 1
1 1299 . 5 1 1 A 109 109 ASN N N 109 115.600 116.281 -0.681 1
1 1300 . 5 1 1 A 109 109 ASN CA C 109 53.983 55.605 -1.622 1
1 1301 . 5 1 1 A 109 109 ASN CB C 109 36.227 37.183 -0.956 1
1 1302 . 5 1 1 A 109 109 ASN C C 109 175.789 176.707 -0.918 1
1 1303 . 5 1 1 A 109 109 ASN H H 109 8.342 8.654 -0.312 1
1 1304 . 5 1 1 A 109 109 ASN HA H 109 4.564 4.495 0.069 1
1 1310 . 5 1 1 A 110 110 THR N N 110 107.600 108.943 -1.343 1
1 1311 . 5 1 1 A 110 110 THR CA C 110 61.115 62.680 -1.565 1
1 1312 . 5 1 1 A 110 110 THR CB C 110 62.929 69.367 -6.438 1
1 1314 . 5 1 1 A 110 110 THR C C 110 173.508 174.714 -1.206 1
1 1315 . 5 1 1 A 110 110 THR H H 110 7.522 7.713 -0.191 1
1 1316 . 5 1 1 A 110 110 THR HA H 110 4.461 4.260 0.201 1
1 1319 . 5 1 1 A 111 111 VAL N N 111 123.700 124.273 -0.573 1
1 1320 . 5 1 1 A 111 111 VAL CA C 111 61.782 62.087 -0.305 1
1 1321 . 5 1 1 A 111 111 VAL CB C 111 32.821 32.589 0.232 1
1 1324 . 5 1 1 A 111 111 VAL C C 111 173.903 174.934 -1.031 1
1 1325 . 5 1 1 A 111 111 VAL H H 111 6.960 7.674 -0.714 1
1 1326 . 5 1 1 A 111 111 VAL HA H 111 3.703 4.180 -0.477 1
1 1334 . 5 1 1 A 112 112 ASP N N 112 125.800 128.381 -2.581 1
1 1335 . 5 1 1 A 112 112 ASP CA C 112 51.777 54.765 -2.988 1
1 1336 . 5 1 1 A 112 112 ASP CB C 112 40.648 41.477 -0.829 1
1 1337 . 5 1 1 A 112 112 ASP C C 112 175.407 174.980 0.427 1
1 1338 . 5 1 1 A 112 112 ASP H H 112 8.341 8.924 -0.583 1
1 1339 . 5 1 1 A 112 112 ASP HA H 112 4.719 4.946 -0.227 1
1 1342 . 5 1 1 A 113 113 PHE N N 113 122.700 126.446 -3.746 1
1 1343 . 5 1 1 A 113 113 PHE CA C 113 59.887 55.985 3.902 1
1 1344 . 5 1 1 A 113 113 PHE CB C 113 37.999 38.005 -0.006 1
1 1345 . 5 1 1 A 113 113 PHE C C 113 175.854 175.482 0.372 1
1 1346 . 5 1 1 A 113 113 PHE H H 113 8.391 9.151 -0.760 1
1 1347 . 5 1 1 A 113 113 PHE HA H 113 4.670 4.901 -0.231 1
1 1350 . 5 1 1 A 114 114 GLY N N 114 108.608 111.913 -3.305 1
1 1351 . 5 1 1 A 114 114 GLY CA C 114 45.657 46.275 -0.618 1
1 1352 . 5 1 1 A 114 114 GLY C C 114 172.963 175.318 -2.355 1
1 1353 . 5 1 1 A 114 114 GLY H H 114 8.953 8.425 0.528 1
1 1354 . 5 1 1 A 114 114 GLY HA3 H 114 4.018 3.424 0.594 1
1 1355 . 5 1 1 A 114 114 GLY HA2 H 114 3.912 3.074 0.838 1
1 1356 . 5 1 1 A 115 115 HIS N N 115 114.926 119.041 -4.115 1
1 1357 . 5 1 1 A 115 115 HIS CA C 115 53.533 56.143 -2.610 1
1 1358 . 5 1 1 A 115 115 HIS CB C 115 30.349 31.041 -0.692 1
1 1359 . 5 1 1 A 115 115 HIS C C 115 172.453 174.870 -2.417 1
1 1360 . 5 1 1 A 115 115 HIS H H 115 7.510 8.042 -0.532 1
1 1361 . 5 1 1 A 115 115 HIS HA H 115 4.868 4.920 -0.052 1
1 1364 . 5 1 1 A 116 116 VAL N N 116 122.100 114.709 7.391 1
1 1365 . 5 1 1 A 116 116 VAL CA C 116 62.992 60.275 2.717 1
1 1366 . 5 1 1 A 116 116 VAL CB C 116 31.850 34.329 -2.479 1
1 1369 . 5 1 1 A 116 116 VAL C C 116 176.352 174.592 1.760 1
1 1370 . 5 1 1 A 116 116 VAL H H 116 8.460 8.148 0.312 1
1 1371 . 5 1 1 A 116 116 VAL HA H 116 4.268 4.748 -0.480 1
1 1379 . 5 1 1 A 117 117 THR N N 117 124.700 121.813 2.887 1
1 1380 . 5 1 1 A 117 117 THR CA C 117 61.694 62.181 -0.487 1
1 1381 . 5 1 1 A 117 117 THR CB C 117 70.001 68.710 1.291 1
1 1383 . 5 1 1 A 117 117 THR C C 117 172.762 173.511 -0.749 1
1 1384 . 5 1 1 A 117 117 THR H H 117 8.550 8.838 -0.288 1
1 1385 . 5 1 1 A 117 117 THR HA H 117 4.460 4.691 -0.231 1
1 1388 . 5 1 1 A 118 118 GLU N N 118 126.000 124.887 1.113 1
1 1389 . 5 1 1 A 118 118 GLU CA C 118 55.038 54.987 0.051 1
1 1390 . 5 1 1 A 118 118 GLU CB C 118 30.835 31.328 -0.493 1
1 1392 . 5 1 1 A 118 118 GLU C C 118 174.419 174.658 -0.239 1
1 1393 . 5 1 1 A 118 118 GLU H H 118 8.382 8.846 -0.464 1
1 1394 . 5 1 1 A 118 118 GLU HA H 118 4.776 5.082 -0.306 1
1 1399 . 5 1 1 A 119 119 GLU N N 119 123.000 120.888 2.112 1
1 1400 . 5 1 1 A 119 119 GLU CA C 119 54.292 54.821 -0.529 1
1 1401 . 5 1 1 A 119 119 GLU CB C 119 32.909 33.369 -0.460 1
1 1403 . 5 1 1 A 119 119 GLU C C 119 173.072 174.346 -1.274 1
1 1404 . 5 1 1 A 119 119 GLU H H 119 8.057 8.598 -0.541 1
1 1405 . 5 1 1 A 119 119 GLU HA H 119 4.631 4.491 0.140 1
1 1410 . 5 1 1 A 120 120 TRP N N 120 118.300 122.460 -4.160 1
1 1411 . 5 1 1 A 120 120 TRP C C 120 177.336 175.526 1.810 1
1 1412 . 5 1 1 A 120 120 TRP CA C 120 55.672 57.373 -1.701 1
1 1413 . 5 1 1 A 120 120 TRP CB C 120 31.259 29.426 1.833 1
1 1414 . 5 1 1 A 120 120 TRP H H 120 8.212 8.309 -0.097 1
1 1415 . 5 1 1 A 120 120 TRP HA H 120 5.322 4.960 0.362 1
1 1424 . 5 1 1 A 121 121 ARG N N 121 120.900 126.541 -5.641 1
1 1425 . 5 1 1 A 121 121 ARG CA C 121 53.631 53.858 -0.227 1
1 1426 . 5 1 1 A 121 121 ARG CB C 121 32.865 33.476 -0.611 1
1 1429 . 5 1 1 A 121 121 ARG C C 121 174.321 175.436 -1.115 1
1 1430 . 5 1 1 A 121 121 ARG H H 121 9.012 8.819 0.193 1
1 1431 . 5 1 1 A 121 121 ARG HA H 121 4.488 5.046 -0.558 1
1 1438 . 5 1 1 A 122 122 ASP N N 122 121.600 123.519 -1.919 1
1 1439 . 5 1 1 A 122 122 ASP CA C 122 53.795 53.111 0.684 1
1 1440 . 5 1 1 A 122 122 ASP CB C 122 40.544 42.185 -1.641 1
1 1441 . 5 1 1 A 122 122 ASP C C 122 176.041 175.361 0.680 1
1 1442 . 5 1 1 A 122 122 ASP H H 122 8.226 8.766 -0.540 1
1 1443 . 5 1 1 A 122 122 ASP HA H 122 4.791 5.254 -0.463 1
1 1446 . 5 1 1 A 123 123 LEU N N 123 120.700 124.609 -3.909 1
1 1447 . 5 1 1 A 123 123 LEU CA C 123 54.997 54.321 0.676 1
1 1448 . 5 1 1 A 123 123 LEU CB C 123 41.765 41.868 -0.103 1
1 1452 . 5 1 1 A 123 123 LEU C C 123 175.964 176.576 -0.612 1
1 1453 . 5 1 1 A 123 123 LEU H H 123 8.436 8.513 -0.077 1
1 1454 . 5 1 1 A 123 123 LEU HA H 123 4.125 4.743 -0.618 1
1 1464 . 5 1 1 A 124 124 GLN N N 124 119.200 124.567 -5.367 1
1 1466 . 5 1 1 A 124 124 GLN CA C 124 53.278 54.922 -1.644 1
1 1467 . 5 1 1 A 124 124 GLN CB C 124 31.232 30.522 0.710 1
1 1469 . 5 1 1 A 124 124 GLN C C 124 175.183 174.942 0.241 1
1 1470 . 5 1 1 A 124 124 GLN H H 124 9.020 8.667 0.353 1
1 1471 . 5 1 1 A 124 124 GLN HA H 124 4.738 4.841 -0.103 1
1 1478 . 5 1 1 A 125 125 SER N N 125 115.300 118.189 -2.889 1
1 1479 . 5 1 1 A 125 125 SER H H 125 8.543 8.840 -0.297 1
1 1480 . 5 1 1 A 125 125 SER CA C 125 58.477 57.898 0.579 1
1 1481 . 5 1 1 A 125 125 SER CB C 125 63.274 63.169 0.105 1
1 1482 . 5 1 1 A 125 125 SER C C 125 174.609 173.835 0.774 1
1 1483 . 5 1 1 A 125 125 SER HA H 125 4.235 4.579 -0.344 1
1 1486 . 5 1 1 A 126 126 ALA N N 126 126.900 130.409 -3.509 1
1 1487 . 5 1 1 A 126 126 ALA CA C 126 51.636 50.285 1.351 1
1 1488 . 5 1 1 A 126 126 ALA CB C 126 19.845 21.003 -1.158 1
1 1489 . 5 1 1 A 126 126 ALA C C 126 176.876 176.650 0.226 1
1 1490 . 5 1 1 A 126 126 ALA H H 126 8.640 8.926 -0.286 1
1 1491 . 5 1 1 A 126 126 ALA HA H 126 4.216 5.204 -0.988 1
1 1495 . 5 1 1 A 127 127 GLU N N 127 120.600 122.238 -1.638 1
1 1496 . 5 1 1 A 127 127 GLU CA C 127 56.142 55.478 0.664 1
1 1497 . 5 1 1 A 127 127 GLU CB C 127 29.996 29.169 0.827 1
1 1499 . 5 1 1 A 127 127 GLU C C 127 175.129 174.890 0.239 1
1 1500 . 5 1 1 A 127 127 GLU H H 127 8.204 8.758 -0.554 1
1 1501 . 5 1 1 A 127 127 GLU HA H 127 4.176 4.560 -0.384 1
1 12 . 6 1 1 A 2 2 LYS N N 2 123.200 118.107 5.093 1
1 13 . 6 1 1 A 2 2 LYS CA C 2 55.550 55.311 0.239 1
1 14 . 6 1 1 A 2 2 LYS CB C 2 31.730 32.629 -0.899 1
1 18 . 6 1 1 A 2 2 LYS H H 2 8.320 8.798 -0.478 1
1 19 . 6 1 1 A 2 2 LYS C C 2 176.041 175.944 0.097 1
1 20 . 6 1 1 A 2 2 LYS HA H 2 4.413 4.937 -0.524 1
1 29 . 6 1 1 A 3 3 LEU N N 3 124.700 123.287 1.413 1
1 30 . 6 1 1 A 3 3 LEU CA C 3 53.800 55.863 -2.063 1
1 31 . 6 1 1 A 3 3 LEU CB C 3 43.351 43.535 -0.184 1
1 35 . 6 1 1 A 3 3 LEU C C 3 173.289 176.662 -3.373 1
1 36 . 6 1 1 A 3 3 LEU H H 3 8.319 8.498 -0.179 1
1 37 . 6 1 1 A 3 3 LEU HA H 3 4.363 4.259 0.104 1
1 47 . 6 1 1 A 4 4 GLY N N 4 102.100 107.126 -5.026 1
1 48 . 6 1 1 A 4 4 GLY CA C 4 44.232 44.559 -0.327 1
1 49 . 6 1 1 A 4 4 GLY C C 4 174.476 172.972 1.504 1
1 50 . 6 1 1 A 4 4 GLY H H 4 7.412 7.845 -0.433 1
1 51 . 6 1 1 A 4 4 GLY HA3 H 4 4.367 4.068 0.299 1
1 52 . 6 1 1 A 4 4 GLY HA2 H 4 3.662 4.056 -0.394 1
1 53 . 6 1 1 A 5 5 LYS N N 5 114.993 120.693 -5.700 1
1 54 . 6 1 1 A 5 5 LYS CA C 5 54.807 54.588 0.219 1
1 55 . 6 1 1 A 5 5 LYS CB C 5 36.664 36.825 -0.161 1
1 59 . 6 1 1 A 5 5 LYS C C 5 173.762 175.268 -1.506 1
1 60 . 6 1 1 A 5 5 LYS H H 5 8.748 8.314 0.434 1
1 61 . 6 1 1 A 5 5 LYS HA H 5 5.333 5.219 0.114 1
1 70 . 6 1 1 A 6 6 LEU N N 6 122.195 122.273 -0.078 1
1 71 . 6 1 1 A 6 6 LEU CA C 6 53.760 53.747 0.013 1
1 72 . 6 1 1 A 6 6 LEU CB C 6 47.948 44.755 3.193 1
1 76 . 6 1 1 A 6 6 LEU C C 6 172.524 174.859 -2.335 1
1 77 . 6 1 1 A 6 6 LEU H H 6 9.058 9.638 -0.580 1
1 78 . 6 1 1 A 6 6 LEU HA H 6 5.312 5.940 -0.628 1
1 88 . 6 1 1 A 7 7 GLN N N 7 127.800 127.190 0.610 1
1 90 . 6 1 1 A 7 7 GLN CA C 7 52.595 55.349 -2.754 1
1 91 . 6 1 1 A 7 7 GLN CB C 7 28.032 29.753 -1.721 1
1 93 . 6 1 1 A 7 7 GLN C C 7 173.707 175.418 -1.711 1
1 94 . 6 1 1 A 7 7 GLN H H 7 8.945 8.785 0.160 1
1 95 . 6 1 1 A 7 7 GLN HA H 7 5.170 5.294 -0.124 1
1 102 . 6 1 1 A 8 8 TYR N N 8 125.700 123.887 1.813 1
1 103 . 6 1 1 A 8 8 TYR CA C 8 54.578 56.503 -1.925 1
1 104 . 6 1 1 A 8 8 TYR CB C 8 42.236 43.842 -1.606 1
1 105 . 6 1 1 A 8 8 TYR C C 8 171.582 174.362 -2.780 1
1 106 . 6 1 1 A 8 8 TYR H H 8 8.445 8.894 -0.449 1
1 107 . 6 1 1 A 8 8 TYR HA H 8 5.401 5.402 -0.001 1
1 110 . 6 1 1 A 9 9 SER N N 9 113.300 115.997 -2.697 1
1 111 . 6 1 1 A 9 9 SER H H 9 9.486 8.856 0.630 1
1 112 . 6 1 1 A 9 9 SER CA C 9 55.195 56.757 -1.562 1
1 113 . 6 1 1 A 9 9 SER CB C 9 67.116 65.260 1.856 1
1 114 . 6 1 1 A 9 9 SER C C 9 173.486 173.114 0.372 1
1 115 . 6 1 1 A 9 9 SER HA H 9 5.400 5.458 -0.058 1
1 118 . 6 1 1 A 10 10 LEU N N 10 120.700 127.914 -7.214 1
1 119 . 6 1 1 A 10 10 LEU CA C 10 53.388 53.449 -0.061 1
1 120 . 6 1 1 A 10 10 LEU CB C 10 46.946 45.584 1.362 1
1 121 . 6 1 1 A 10 10 LEU C C 10 174.640 175.263 -0.623 1
1 125 . 6 1 1 A 10 10 LEU H H 10 8.698 9.506 -0.808 1
1 126 . 6 1 1 A 10 10 LEU HA H 10 5.471 5.894 -0.423 1
1 136 . 6 1 1 A 11 11 ASP N N 11 119.760 122.620 -2.860 1
1 137 . 6 1 1 A 11 11 ASP CA C 11 52.525 52.300 0.225 1
1 138 . 6 1 1 A 11 11 ASP CB C 11 44.683 44.815 -0.132 1
1 139 . 6 1 1 A 11 11 ASP C C 11 173.093 174.161 -1.068 1
1 140 . 6 1 1 A 11 11 ASP H H 11 8.673 9.925 -1.252 1
1 141 . 6 1 1 A 11 11 ASP HA H 11 5.126 5.705 -0.579 1
1 144 . 6 1 1 A 12 12 TYR N N 12 124.200 117.087 7.113 1
1 145 . 6 1 1 A 12 12 TYR CA C 12 57.883 55.486 2.397 1
1 146 . 6 1 1 A 12 12 TYR CB C 12 40.054 41.315 -1.261 1
1 147 . 6 1 1 A 12 12 TYR C C 12 171.962 173.049 -1.087 1
1 148 . 6 1 1 A 12 12 TYR H H 12 8.898 9.007 -0.109 1
1 149 . 6 1 1 A 12 12 TYR HA H 12 4.609 5.689 -1.080 1
1 154 . 6 1 1 A 13 13 ASP N N 13 126.400 125.158 1.242 1
1 155 . 6 1 1 A 13 13 ASP CA C 13 51.141 52.627 -1.486 1
1 156 . 6 1 1 A 13 13 ASP CB C 13 40.891 40.611 0.280 1
1 157 . 6 1 1 A 13 13 ASP C C 13 175.599 176.639 -1.040 1
1 158 . 6 1 1 A 13 13 ASP H H 13 8.018 8.423 -0.405 1
1 159 . 6 1 1 A 13 13 ASP HA H 13 4.591 4.623 -0.032 1
1 162 . 6 1 1 A 14 14 PHE N N 14 123.575 123.735 -0.160 1
1 163 . 6 1 1 A 14 14 PHE CA C 14 60.734 59.346 1.388 1
1 164 . 6 1 1 A 14 14 PHE CB C 14 38.821 38.794 0.027 1
1 165 . 6 1 1 A 14 14 PHE C C 14 176.704 175.982 0.722 1
1 166 . 6 1 1 A 14 14 PHE H H 14 8.540 8.150 0.390 1
1 167 . 6 1 1 A 14 14 PHE HA H 14 4.187 4.692 -0.505 1
1 170 . 6 1 1 A 15 15 GLN N N 15 118.500 117.101 1.399 1
1 172 . 6 1 1 A 15 15 GLN CA C 15 57.927 55.809 2.118 1
1 173 . 6 1 1 A 15 15 GLN CB C 15 28.129 27.721 0.408 1
1 175 . 6 1 1 A 15 15 GLN C C 15 176.646 176.644 0.002 1
1 176 . 6 1 1 A 15 15 GLN H H 15 8.307 7.236 1.071 1
1 177 . 6 1 1 A 15 15 GLN HA H 15 4.150 4.160 -0.010 1
1 184 . 6 1 1 A 16 16 ASN N N 16 113.392 116.896 -3.504 1
1 185 . 6 1 1 A 16 16 ASN CA C 16 52.051 51.853 0.198 1
1 186 . 6 1 1 A 16 16 ASN CB C 16 39.238 37.801 1.437 1
1 187 . 6 1 1 A 16 16 ASN C C 16 173.191 175.032 -1.841 1
1 188 . 6 1 1 A 16 16 ASN H H 16 7.347 7.561 -0.214 1
1 189 . 6 1 1 A 16 16 ASN HA H 16 4.682 4.680 0.002 1
1 195 . 6 1 1 A 17 17 ASN N N 17 118.200 115.696 2.504 1
1 196 . 6 1 1 A 17 17 ASN CA C 17 54.524 54.556 -0.032 1
1 197 . 6 1 1 A 17 17 ASN CB C 17 36.825 36.868 -0.043 1
1 198 . 6 1 1 A 17 17 ASN C C 17 175.797 173.868 1.929 1
1 199 . 6 1 1 A 17 17 ASN H H 17 7.682 8.005 -0.323 1
1 200 . 6 1 1 A 17 17 ASN HA H 17 4.300 4.478 -0.178 1
1 206 . 6 1 1 A 18 18 GLN N N 18 110.518 117.385 -6.867 1
1 208 . 6 1 1 A 18 18 GLN CA C 18 52.888 54.961 -2.073 1
1 209 . 6 1 1 A 18 18 GLN CB C 18 31.353 32.394 -1.041 1
1 211 . 6 1 1 A 18 18 GLN C C 18 171.717 174.020 -2.303 1
1 212 . 6 1 1 A 18 18 GLN H H 18 6.757 7.634 -0.877 1
1 213 . 6 1 1 A 18 18 GLN HA H 18 4.911 5.087 -0.176 1
1 220 . 6 1 1 A 19 19 LEU N N 19 124.400 127.725 -3.325 1
1 221 . 6 1 1 A 19 19 LEU CA C 19 53.873 54.068 -0.195 1
1 222 . 6 1 1 A 19 19 LEU CB C 19 44.558 41.974 2.584 1
1 226 . 6 1 1 A 19 19 LEU C C 19 173.731 175.947 -2.216 1
1 227 . 6 1 1 A 19 19 LEU H H 19 9.048 8.617 0.431 1
1 228 . 6 1 1 A 19 19 LEU HA H 19 4.543 4.576 -0.033 1
1 238 . 6 1 1 A 20 20 LEU N N 20 128.415 125.677 2.738 1
1 239 . 6 1 1 A 20 20 LEU CA C 20 53.695 53.347 0.348 1
1 240 . 6 1 1 A 20 20 LEU CB C 20 41.956 45.251 -3.295 1
1 244 . 6 1 1 A 20 20 LEU C C 20 175.696 175.055 0.641 1
1 245 . 6 1 1 A 20 20 LEU H H 20 9.021 9.683 -0.662 1
1 246 . 6 1 1 A 20 20 LEU HA H 20 4.852 5.071 -0.219 1
1 256 . 6 1 1 A 21 21 VAL N N 21 125.838 121.950 3.888 1
1 257 . 6 1 1 A 21 21 VAL CA C 21 60.511 60.671 -0.160 1
1 258 . 6 1 1 A 21 21 VAL CB C 21 45.331 31.712 13.619 1
1 260 . 6 1 1 A 21 21 VAL C C 21 173.979 174.347 -0.368 1
1 261 . 6 1 1 A 21 21 VAL H H 21 9.073 8.896 0.177 1
1 262 . 6 1 1 A 21 21 VAL HA H 21 4.853 4.720 0.133 1
1 270 . 6 1 1 A 22 22 GLY N N 22 117.254 112.207 5.047 1
1 271 . 6 1 1 A 22 22 GLY CA C 22 43.843 46.553 -2.710 1
1 272 . 6 1 1 A 22 22 GLY C C 22 172.485 173.550 -1.065 1
1 273 . 6 1 1 A 22 22 GLY H H 22 9.486 8.961 0.525 1
1 274 . 6 1 1 A 22 22 GLY HA3 H 22 4.653 4.199 0.454 1
1 275 . 6 1 1 A 22 22 GLY HA2 H 22 3.520 4.091 -0.571 1
1 276 . 6 1 1 A 23 23 ILE N N 23 125.106 122.604 2.502 1
1 277 . 6 1 1 A 23 23 ILE CA C 23 58.182 60.750 -2.568 1
1 278 . 6 1 1 A 23 23 ILE CB C 23 35.290 38.525 -3.235 1
1 282 . 6 1 1 A 23 23 ILE C C 23 174.346 175.602 -1.256 1
1 283 . 6 1 1 A 23 23 ILE H H 23 8.831 8.280 0.551 1
1 284 . 6 1 1 A 23 23 ILE HA H 23 4.330 4.378 -0.048 1
1 294 . 6 1 1 A 24 24 ILE N N 24 126.735 122.802 3.933 1
1 295 . 6 1 1 A 24 24 ILE CA C 24 65.005 62.640 2.365 1
1 296 . 6 1 1 A 24 24 ILE CB C 24 37.790 38.011 -0.221 1
1 300 . 6 1 1 A 24 24 ILE C C 24 177.149 175.681 1.468 1
1 301 . 6 1 1 A 24 24 ILE H H 24 8.365 6.756 1.609 1
1 302 . 6 1 1 A 24 24 ILE HA H 24 3.903 4.583 -0.680 1
1 312 . 6 1 1 A 25 25 GLN N N 25 110.662 115.759 -5.097 1
1 314 . 6 1 1 A 25 25 GLN CA C 25 54.295 55.224 -0.929 1
1 315 . 6 1 1 A 25 25 GLN CB C 25 30.953 32.282 -1.329 1
1 317 . 6 1 1 A 25 25 GLN C C 25 171.152 173.941 -2.789 1
1 318 . 6 1 1 A 25 25 GLN H H 25 7.706 7.150 0.556 1
1 319 . 6 1 1 A 25 25 GLN HA H 25 5.123 4.806 0.317 1
1 325 . 6 1 1 A 26 26 ALA N N 26 121.300 125.510 -4.210 1
1 326 . 6 1 1 A 26 26 ALA CA C 26 49.951 50.229 -0.278 1
1 327 . 6 1 1 A 26 26 ALA CB C 26 22.406 22.282 0.124 1
1 328 . 6 1 1 A 26 26 ALA C C 26 171.937 176.026 -4.089 1
1 329 . 6 1 1 A 26 26 ALA H H 26 9.195 8.493 0.702 1
1 330 . 6 1 1 A 26 26 ALA HA H 26 5.740 5.568 0.172 1
1 334 . 6 1 1 A 27 27 ALA N N 27 120.100 122.265 -2.165 1
1 335 . 6 1 1 A 27 27 ALA CA C 27 50.524 50.694 -0.170 1
1 336 . 6 1 1 A 27 27 ALA CB C 27 24.047 21.607 2.440 1
1 337 . 6 1 1 A 27 27 ALA C C 27 174.984 176.901 -1.917 1
1 338 . 6 1 1 A 27 27 ALA H H 27 9.118 8.668 0.450 1
1 339 . 6 1 1 A 27 27 ALA HA H 27 5.353 4.859 0.494 1
1 343 . 6 1 1 A 28 28 GLU N N 28 112.600 119.259 -6.659 1
1 344 . 6 1 1 A 28 28 GLU CA C 28 56.032 57.304 -1.272 1
1 345 . 6 1 1 A 28 28 GLU CB C 28 25.966 27.531 -1.565 1
1 347 . 6 1 1 A 28 28 GLU C C 28 174.427 175.691 -1.264 1
1 348 . 6 1 1 A 28 28 GLU H H 28 8.453 8.559 -0.106 1
1 349 . 6 1 1 A 28 28 GLU HA H 28 3.648 3.831 -0.183 1
1 354 . 6 1 1 A 29 29 LEU N N 29 116.093 120.710 -4.617 1
1 355 . 6 1 1 A 29 29 LEU CA C 29 53.295 52.803 0.492 1
1 356 . 6 1 1 A 29 29 LEU CB C 29 39.640 41.282 -1.642 1
1 360 . 6 1 1 A 29 29 LEU C C 29 173.800 174.590 -0.790 1
1 361 . 6 1 1 A 29 29 LEU H H 29 7.951 8.321 -0.370 1
1 362 . 6 1 1 A 29 29 LEU HA H 29 4.330 4.686 -0.356 1
1 372 . 6 1 1 A 30 30 PRO CA C 30 61.760 62.676 -0.916 1
1 373 . 6 1 1 A 30 30 PRO CB C 30 31.492 31.911 -0.419 1
1 376 . 6 1 1 A 30 30 PRO C C 30 175.525 176.837 -1.312 1
1 377 . 6 1 1 A 30 30 PRO HA H 30 4.327 4.475 -0.148 1
1 383 . 6 1 1 A 31 31 ALA N N 31 122.487 124.453 -1.966 1
1 384 . 6 1 1 A 31 31 ALA CA C 31 50.604 52.707 -2.103 1
1 385 . 6 1 1 A 31 31 ALA CB C 31 18.576 19.151 -0.575 1
1 386 . 6 1 1 A 31 31 ALA C C 31 177.222 177.441 -0.219 1
1 387 . 6 1 1 A 31 31 ALA H H 31 8.128 8.373 -0.245 1
1 388 . 6 1 1 A 31 31 ALA HA H 31 4.130 4.408 -0.278 1
1 392 . 6 1 1 A 32 32 LEU N N 32 124.400 123.647 0.753 1
1 393 . 6 1 1 A 32 32 LEU CA C 32 55.041 53.811 1.230 1
1 394 . 6 1 1 A 32 32 LEU CB C 32 42.916 42.109 0.807 1
1 398 . 6 1 1 A 32 32 LEU C C 32 176.852 174.871 1.981 1
1 399 . 6 1 1 A 32 32 LEU H H 32 8.035 8.843 -0.808 1
1 400 . 6 1 1 A 32 32 LEU HA H 32 4.240 4.704 -0.464 1
1 410 . 6 1 1 A 33 33 ASP N N 33 119.800 120.145 -0.345 1
1 411 . 6 1 1 A 33 33 ASP CA C 33 52.948 53.230 -0.282 1
1 412 . 6 1 1 A 33 33 ASP CB C 33 41.578 44.932 -3.354 1
1 413 . 6 1 1 A 33 33 ASP C C 33 176.200 174.032 2.168 1
1 414 . 6 1 1 A 33 33 ASP H H 33 8.400 7.165 1.235 1
1 415 . 6 1 1 A 33 33 ASP HA H 33 4.785 5.106 -0.321 1
1 418 . 6 1 1 A 34 34 MET N N 34 120.000 122.788 -2.788 1
1 419 . 6 1 1 A 34 34 MET CA C 34 56.561 54.560 2.001 1
1 420 . 6 1 1 A 34 34 MET CB C 34 31.288 31.071 0.217 1
1 422 . 6 1 1 A 34 34 MET C C 34 176.483 176.560 -0.077 1
1 423 . 6 1 1 A 34 34 MET H H 34 8.492 8.817 -0.325 1
1 424 . 6 1 1 A 34 34 MET HA H 34 4.213 4.485 -0.272 1
1 429 . 6 1 1 A 35 35 GLY N N 35 110.400 109.345 1.055 1
1 430 . 6 1 1 A 35 35 GLY CA C 35 44.884 45.352 -0.468 1
1 431 . 6 1 1 A 35 35 GLY C C 35 174.831 175.211 -0.380 1
1 432 . 6 1 1 A 35 35 GLY H H 35 8.668 8.352 0.316 1
1 433 . 6 1 1 A 35 35 GLY HA3 H 35 4.039 4.072 -0.033 1
1 434 . 6 1 1 A 35 35 GLY HA2 H 35 3.818 4.066 -0.248 1
1 435 . 6 1 1 A 36 36 GLY N N 36 107.400 109.903 -2.503 1
1 436 . 6 1 1 A 36 36 GLY CA C 36 45.427 46.661 -1.234 1
1 437 . 6 1 1 A 36 36 GLY C C 36 173.194 173.588 -0.394 1
1 438 . 6 1 1 A 36 36 GLY H H 36 8.008 7.665 0.343 1
1 439 . 6 1 1 A 36 36 GLY HA3 H 36 4.000 3.929 0.071 1
1 440 . 6 1 1 A 36 36 GLY HA2 H 36 3.861 3.928 -0.067 1
1 441 . 6 1 1 A 37 37 THR N N 37 111.100 110.201 0.899 1
1 442 . 6 1 1 A 37 37 THR CA C 37 59.954 59.665 0.289 1
1 443 . 6 1 1 A 37 37 THR CB C 37 70.589 72.749 -2.160 1
1 445 . 6 1 1 A 37 37 THR C C 37 171.355 172.536 -1.181 1
1 446 . 6 1 1 A 37 37 THR H H 37 7.476 7.528 -0.052 1
1 447 . 6 1 1 A 37 37 THR HA H 37 4.511 5.057 -0.546 1
1 450 . 6 1 1 A 38 38 SER N N 38 115.811 114.786 1.025 1
1 451 . 6 1 1 A 38 38 SER CA C 38 57.664 56.537 1.127 1
1 452 . 6 1 1 A 38 38 SER CB C 38 70.510 66.246 4.264 1
1 453 . 6 1 1 A 38 38 SER C C 38 170.198 173.214 -3.016 1
1 454 . 6 1 1 A 38 38 SER H H 38 7.257 8.916 -1.659 1
1 455 . 6 1 1 A 38 38 SER HA H 38 4.707 5.174 -0.467 1
1 458 . 6 1 1 A 39 39 ASP N N 39 121.288 120.839 0.449 1
1 459 . 6 1 1 A 39 39 ASP CA C 39 51.058 51.653 -0.595 1
1 460 . 6 1 1 A 39 39 ASP CB C 39 42.210 41.869 0.341 1
1 461 . 6 1 1 A 39 39 ASP C C 39 172.500 173.431 -0.931 1
1 462 . 6 1 1 A 39 39 ASP H H 39 8.698 8.944 -0.246 1
1 463 . 6 1 1 A 39 39 ASP HA H 39 5.940 6.048 -0.108 1
1 466 . 6 1 1 A 40 40 PRO CA C 40 62.440 62.950 -0.510 1
1 467 . 6 1 1 A 40 40 PRO CB C 40 34.370 32.750 1.620 1
1 470 . 6 1 1 A 40 40 PRO C C 40 176.317 175.193 1.124 1
1 471 . 6 1 1 A 40 40 PRO HA H 40 5.826 4.787 1.039 1
1 478 . 6 1 1 A 41 41 TYR N N 41 113.769 123.815 -10.046 1
1 479 . 6 1 1 A 41 41 TYR CA C 41 56.150 57.757 -1.607 1
1 480 . 6 1 1 A 41 41 TYR CB C 41 40.246 42.153 -1.907 1
1 481 . 6 1 1 A 41 41 TYR C C 41 171.425 173.112 -1.687 1
1 482 . 6 1 1 A 41 41 TYR H H 41 8.703 8.809 -0.106 1
1 483 . 6 1 1 A 41 41 TYR HA H 41 4.795 4.819 -0.024 1
1 487 . 6 1 1 A 42 42 VAL N N 42 119.919 125.912 -5.993 1
1 488 . 6 1 1 A 42 42 VAL CA C 42 60.064 61.694 -1.630 1
1 489 . 6 1 1 A 42 42 VAL CB C 42 33.816 32.417 1.399 1
1 492 . 6 1 1 A 42 42 VAL C C 42 174.456 174.400 0.056 1
1 493 . 6 1 1 A 42 42 VAL HA H 42 5.020 4.495 0.525 1
1 501 . 6 1 1 A 43 43 LYS N N 43 125.776 128.286 -2.510 1
1 502 . 6 1 1 A 43 43 LYS CA C 43 54.601 54.547 0.054 1
1 503 . 6 1 1 A 43 43 LYS CB C 43 36.096 32.981 3.115 1
1 507 . 6 1 1 A 43 43 LYS C C 43 174.518 174.189 0.329 1
1 508 . 6 1 1 A 43 43 LYS H H 43 9.415 9.383 0.032 1
1 509 . 6 1 1 A 43 43 LYS HA H 43 5.374 2.838 2.536 1
1 518 . 6 1 1 A 44 44 VAL N N 44 121.484 123.465 -1.981 1
1 519 . 6 1 1 A 44 44 VAL CA C 44 59.365 60.529 -1.164 1
1 520 . 6 1 1 A 44 44 VAL CB C 44 34.818 32.870 1.948 1
1 523 . 6 1 1 A 44 44 VAL C C 44 173.928 174.522 -0.594 1
1 524 . 6 1 1 A 44 44 VAL H H 44 8.845 6.946 1.899 1
1 525 . 6 1 1 A 44 44 VAL HA H 44 5.326 4.291 1.035 1
1 533 . 6 1 1 A 45 45 PHE N N 45 120.600 125.344 -4.744 1
1 534 . 6 1 1 A 45 45 PHE CA C 45 55.886 55.974 -0.088 1
1 535 . 6 1 1 A 45 45 PHE CB C 45 39.882 44.073 -4.191 1
1 536 . 6 1 1 A 45 45 PHE C C 45 171.102 174.646 -3.544 1
1 537 . 6 1 1 A 45 45 PHE H H 45 8.254 8.893 -0.639 1
1 538 . 6 1 1 A 45 45 PHE HA H 45 4.971 5.166 -0.195 1
1 541 . 6 1 1 A 46 46 LEU N N 46 121.444 121.100 0.344 1
1 542 . 6 1 1 A 46 46 LEU CA C 46 52.376 53.649 -1.273 1
1 543 . 6 1 1 A 46 46 LEU CB C 46 43.229 45.462 -2.233 1
1 547 . 6 1 1 A 46 46 LEU C C 46 176.176 175.460 0.716 1
1 548 . 6 1 1 A 46 46 LEU H H 46 9.137 9.050 0.087 1
1 549 . 6 1 1 A 46 46 LEU HA H 46 4.189 5.109 -0.920 1
1 559 . 6 1 1 A 47 47 LEU N N 47 123.900 122.525 1.375 1
1 560 . 6 1 1 A 47 47 LEU CA C 47 52.926 52.190 0.736 1
1 561 . 6 1 1 A 47 47 LEU CB C 47 41.010 42.759 -1.749 1
1 565 . 6 1 1 A 47 47 LEU C C 47 175.800 177.493 -1.693 1
1 566 . 6 1 1 A 47 47 LEU H H 47 8.945 8.559 0.386 1
1 567 . 6 1 1 A 47 47 LEU HA H 47 4.185 4.674 -0.489 1
1 577 . 6 1 1 A 48 48 PRO CA C 48 62.992 65.069 -2.077 1
1 578 . 6 1 1 A 48 48 PRO CB C 48 24.080 31.982 -7.902 1
1 581 . 6 1 1 A 48 48 PRO C C 48 176.188 177.638 -1.450 1
1 582 . 6 1 1 A 48 48 PRO HA H 48 4.474 4.220 0.254 1
1 588 . 6 1 1 A 49 49 ASP N N 49 113.800 116.354 -2.554 1
1 589 . 6 1 1 A 49 49 ASP CA C 49 55.199 56.859 -1.660 1
1 590 . 6 1 1 A 49 49 ASP CB C 49 40.158 41.399 -1.241 1
1 591 . 6 1 1 A 49 49 ASP C C 49 175.304 176.073 -0.769 1
1 592 . 6 1 1 A 49 49 ASP H H 49 8.467 9.059 -0.592 1
1 593 . 6 1 1 A 49 49 ASP HA H 49 4.576 4.432 0.144 1
1 596 . 6 1 1 A 50 50 LYS N N 50 120.081 118.833 1.248 1
1 597 . 6 1 1 A 50 50 LYS CA C 50 56.803 57.173 -0.370 1
1 598 . 6 1 1 A 50 50 LYS CB C 50 32.059 30.764 1.295 1
1 602 . 6 1 1 A 50 50 LYS H H 50 8.329 8.084 0.245 1
1 603 . 6 1 1 A 50 50 LYS HA H 50 3.949 4.051 -0.102 1
1 604 . 6 1 1 A 50 50 LYS C C 50 175.754 176.472 -0.718 1
1 613 . 6 1 1 A 51 51 LYS N N 51 117.896 117.801 0.095 1
1 614 . 6 1 1 A 51 51 LYS CA C 51 57.360 56.122 1.238 1
1 615 . 6 1 1 A 51 51 LYS CB C 51 32.230 32.124 0.106 1
1 619 . 6 1 1 A 51 51 LYS H H 51 8.099 8.772 -0.673 1
1 620 . 6 1 1 A 51 51 LYS HA H 51 3.950 4.417 -0.467 1
1 621 . 6 1 1 A 51 51 LYS C C 51 176.619 175.500 1.119 1
1 630 . 6 1 1 A 52 52 LYS N N 52 120.200 118.685 1.515 1
1 631 . 6 1 1 A 52 52 LYS CA C 52 54.688 55.047 -0.359 1
1 632 . 6 1 1 A 52 52 LYS CB C 52 31.829 33.545 -1.716 1
1 636 . 6 1 1 A 52 52 LYS H H 52 7.447 7.723 -0.276 1
1 637 . 6 1 1 A 52 52 LYS HA H 52 4.259 4.768 -0.509 1
1 638 . 6 1 1 A 52 52 LYS C C 52 173.420 174.867 -1.447 1
1 647 . 6 1 1 A 53 53 LYS N N 53 123.119 126.734 -3.615 1
1 648 . 6 1 1 A 53 53 LYS CA C 53 53.698 55.779 -2.081 1
1 649 . 6 1 1 A 53 53 LYS CB C 53 41.592 33.158 8.434 1
1 653 . 6 1 1 A 53 53 LYS H H 53 7.810 9.016 -1.206 1
1 654 . 6 1 1 A 53 53 LYS HA H 53 5.004 4.711 0.293 1
1 655 . 6 1 1 A 53 53 LYS C C 53 174.468 176.139 -1.671 1
1 664 . 6 1 1 A 54 54 PHE N N 54 120.200 123.373 -3.173 1
1 665 . 6 1 1 A 54 54 PHE CA C 54 56.583 55.150 1.433 1
1 666 . 6 1 1 A 54 54 PHE CB C 54 42.110 42.241 -0.131 1
1 667 . 6 1 1 A 54 54 PHE C C 54 173.801 174.360 -0.559 1
1 668 . 6 1 1 A 54 54 PHE H H 54 8.490 8.856 -0.366 1
1 669 . 6 1 1 A 54 54 PHE HA H 54 4.680 5.531 -0.851 1
1 672 . 6 1 1 A 55 55 GLU N N 55 117.600 119.905 -2.305 1
1 673 . 6 1 1 A 55 55 GLU CA C 55 53.537 56.092 -2.555 1
1 674 . 6 1 1 A 55 55 GLU CB C 55 33.241 32.272 0.969 1
1 676 . 6 1 1 A 55 55 GLU C C 55 176.694 174.909 1.785 1
1 677 . 6 1 1 A 55 55 GLU H H 55 8.309 8.677 -0.368 1
1 678 . 6 1 1 A 55 55 GLU HA H 55 5.690 4.546 1.144 1
1 683 . 6 1 1 A 56 56 THR N N 56 111.700 118.382 -6.682 1
1 684 . 6 1 1 A 56 56 THR CA C 56 60.989 60.996 -0.007 1
1 685 . 6 1 1 A 56 56 THR CB C 56 71.860 69.707 2.153 1
1 687 . 6 1 1 A 56 56 THR C C 56 174.385 174.086 0.299 1
1 688 . 6 1 1 A 56 56 THR H H 56 8.775 8.451 0.324 1
1 689 . 6 1 1 A 56 56 THR HA H 56 4.838 4.358 0.480 1
1 692 . 6 1 1 A 57 57 LYS N N 57 119.500 122.699 -3.199 1
1 693 . 6 1 1 A 57 57 LYS CA C 57 56.775 55.935 0.840 1
1 694 . 6 1 1 A 57 57 LYS CB C 57 32.743 32.945 -0.202 1
1 698 . 6 1 1 A 57 57 LYS H H 57 9.787 7.899 1.888 1
1 699 . 6 1 1 A 57 57 LYS HA H 57 4.151 4.200 -0.049 1
1 700 . 6 1 1 A 57 57 LYS C C 57 177.417 175.937 1.480 1
1 709 . 6 1 1 A 58 58 VAL N N 58 123.100 124.121 -1.021 1
1 710 . 6 1 1 A 58 58 VAL CA C 58 61.870 62.535 -0.665 1
1 711 . 6 1 1 A 58 58 VAL CB C 58 32.081 32.360 -0.279 1
1 714 . 6 1 1 A 58 58 VAL C C 58 176.850 174.518 2.332 1
1 715 . 6 1 1 A 58 58 VAL H H 58 8.120 8.286 -0.166 1
1 716 . 6 1 1 A 58 58 VAL HA H 58 4.284 4.249 0.035 1
1 724 . 6 1 1 A 59 59 HIS N N 59 128.800 128.725 0.075 1
1 725 . 6 1 1 A 59 59 HIS CA C 59 54.311 55.100 -0.789 1
1 726 . 6 1 1 A 59 59 HIS CB C 59 30.426 28.599 1.827 1
1 727 . 6 1 1 A 59 59 HIS C C 59 172.101 175.050 -2.949 1
1 728 . 6 1 1 A 59 59 HIS H H 59 8.550 8.358 0.192 1
1 729 . 6 1 1 A 59 59 HIS HA H 59 4.457 5.007 -0.550 1
1 732 . 6 1 1 A 60 60 ARG N N 60 118.700 123.604 -4.904 1
1 733 . 6 1 1 A 60 60 ARG CA C 60 55.702 56.400 -0.698 1
1 734 . 6 1 1 A 60 60 ARG CB C 60 30.713 30.275 0.438 1
1 737 . 6 1 1 A 60 60 ARG C C 60 176.252 176.043 0.209 1
1 738 . 6 1 1 A 60 60 ARG H H 60 8.211 8.638 -0.427 1
1 739 . 6 1 1 A 60 60 ARG HA H 60 4.389 4.222 0.167 1
1 746 . 6 1 1 A 61 61 LYS N N 61 122.500 118.103 4.397 1
1 747 . 6 1 1 A 61 61 LYS CA C 61 55.977 57.130 -1.153 1
1 748 . 6 1 1 A 61 61 LYS CB C 61 29.711 29.578 0.133 1
1 752 . 6 1 1 A 61 61 LYS H H 61 9.608 9.056 0.552 1
1 753 . 6 1 1 A 61 61 LYS HA H 61 3.946 4.094 -0.148 1
1 754 . 6 1 1 A 61 61 LYS C C 61 175.083 175.058 0.025 1
1 763 . 6 1 1 A 62 62 THR N N 62 113.400 108.968 4.432 1
1 764 . 6 1 1 A 62 62 THR CA C 62 59.755 60.272 -0.517 1
1 765 . 6 1 1 A 62 62 THR CB C 62 63.417 71.829 -8.412 1
1 767 . 6 1 1 A 62 62 THR C C 62 170.120 174.077 -3.957 1
1 768 . 6 1 1 A 62 62 THR H H 62 8.470 7.637 0.833 1
1 769 . 6 1 1 A 62 62 THR HA H 62 4.703 4.813 -0.110 1
1 772 . 6 1 1 A 63 63 LEU N N 63 123.100 123.939 -0.839 1
1 773 . 6 1 1 A 63 63 LEU CA C 63 52.833 56.096 -3.263 1
1 774 . 6 1 1 A 63 63 LEU CB C 63 40.311 42.126 -1.815 1
1 778 . 6 1 1 A 63 63 LEU C C 63 175.135 176.804 -1.669 1
1 779 . 6 1 1 A 63 63 LEU H H 63 8.257 8.743 -0.486 1
1 780 . 6 1 1 A 63 63 LEU HA H 63 4.483 4.425 0.058 1
1 790 . 6 1 1 A 64 64 ASN N N 64 114.829 118.343 -3.514 1
1 792 . 6 1 1 A 64 64 ASN CA C 64 50.610 50.544 0.066 1
1 793 . 6 1 1 A 64 64 ASN CB C 64 40.550 38.919 1.631 1
1 794 . 6 1 1 A 64 64 ASN C C 64 171.500 173.034 -1.534 1
1 795 . 6 1 1 A 64 64 ASN H H 64 8.306 8.058 0.248 1
1 796 . 6 1 1 A 64 64 ASN HA H 64 5.450 5.235 0.215 1
1 801 . 6 1 1 A 65 65 PRO CA C 65 61.914 62.304 -0.390 1
1 802 . 6 1 1 A 65 65 PRO CB C 65 30.780 32.521 -1.741 1
1 805 . 6 1 1 A 65 65 PRO C C 65 173.852 176.296 -2.444 1
1 806 . 6 1 1 A 65 65 PRO HA H 65 3.970 4.776 -0.806 1
1 813 . 6 1 1 A 66 66 VAL N N 66 121.000 117.401 3.599 1
1 814 . 6 1 1 A 66 66 VAL CA C 66 61.782 60.291 1.491 1
1 815 . 6 1 1 A 66 66 VAL CB C 66 32.721 33.525 -0.804 1
1 818 . 6 1 1 A 66 66 VAL C C 66 175.152 175.669 -0.517 1
1 819 . 6 1 1 A 66 66 VAL H H 66 7.926 8.120 -0.194 1
1 820 . 6 1 1 A 66 66 VAL HA H 66 3.807 4.807 -1.000 1
1 828 . 6 1 1 A 67 67 PHE N N 67 123.400 126.519 -3.119 1
1 829 . 6 1 1 A 67 67 PHE CA C 67 59.262 60.694 -1.432 1
1 830 . 6 1 1 A 67 67 PHE CB C 67 39.849 39.811 0.038 1
1 831 . 6 1 1 A 67 67 PHE C C 67 175.748 175.387 0.361 1
1 832 . 6 1 1 A 67 67 PHE H H 67 8.150 8.823 -0.673 1
1 833 . 6 1 1 A 67 67 PHE HA H 67 4.378 4.272 0.106 1
1 836 . 6 1 1 A 68 68 ASN N N 68 117.500 116.033 1.467 1
1 837 . 6 1 1 A 68 68 ASN CA C 68 53.983 54.160 -0.177 1
1 838 . 6 1 1 A 68 68 ASN CB C 68 37.351 36.457 0.894 1
1 839 . 6 1 1 A 68 68 ASN C C 68 173.314 173.960 -0.646 1
1 840 . 6 1 1 A 68 68 ASN H H 68 8.920 8.713 0.207 1
1 841 . 6 1 1 A 68 68 ASN HA H 68 4.350 6.066 -1.716 1
1 847 . 6 1 1 A 69 69 GLU N N 69 116.000 118.508 -2.508 1
1 848 . 6 1 1 A 69 69 GLU CA C 69 55.742 54.999 0.743 1
1 849 . 6 1 1 A 69 69 GLU CB C 69 34.663 32.266 2.397 1
1 851 . 6 1 1 A 69 69 GLU C C 69 174.165 174.940 -0.775 1
1 852 . 6 1 1 A 69 69 GLU H H 69 7.931 7.613 0.318 1
1 853 . 6 1 1 A 69 69 GLU HA H 69 4.638 5.104 -0.466 1
1 858 . 6 1 1 A 70 70 GLN N N 70 121.500 124.238 -2.738 1
1 860 . 6 1 1 A 70 70 GLN CA C 70 53.807 55.794 -1.987 1
1 861 . 6 1 1 A 70 70 GLN CB C 70 31.750 28.821 2.929 1
1 863 . 6 1 1 A 70 70 GLN C C 70 173.068 175.245 -2.177 1
1 864 . 6 1 1 A 70 70 GLN H H 70 8.174 8.505 -0.331 1
1 865 . 6 1 1 A 70 70 GLN HA H 70 4.985 4.705 0.280 1
1 872 . 6 1 1 A 71 71 PHE N N 71 124.300 122.359 1.941 1
1 873 . 6 1 1 A 71 71 PHE CA C 71 55.249 56.687 -1.438 1
1 874 . 6 1 1 A 71 71 PHE CB C 71 42.133 38.550 3.583 1
1 875 . 6 1 1 A 71 71 PHE C C 71 173.570 175.284 -1.714 1
1 876 . 6 1 1 A 71 71 PHE H H 71 9.040 8.460 0.580 1
1 877 . 6 1 1 A 71 71 PHE HA H 71 4.528 4.934 -0.406 1
1 880 . 6 1 1 A 72 72 THR N N 72 114.000 119.544 -5.544 1
1 881 . 6 1 1 A 72 72 THR CA C 72 59.491 64.210 -4.719 1
1 882 . 6 1 1 A 72 72 THR CB C 72 70.623 69.080 1.543 1
1 884 . 6 1 1 A 72 72 THR C C 72 172.834 174.442 -1.608 1
1 885 . 6 1 1 A 72 72 THR H H 72 7.763 8.581 -0.818 1
1 886 . 6 1 1 A 72 72 THR HA H 72 5.212 4.108 1.104 1
1 889 . 6 1 1 A 73 73 PHE N N 73 120.900 126.509 -5.609 1
1 890 . 6 1 1 A 73 73 PHE CA C 73 56.071 56.235 -0.164 1
1 891 . 6 1 1 A 73 73 PHE CB C 73 41.570 39.685 1.885 1
1 892 . 6 1 1 A 73 73 PHE C C 73 174.890 175.143 -0.253 1
1 893 . 6 1 1 A 73 73 PHE H H 73 8.983 9.117 -0.134 1
1 894 . 6 1 1 A 73 73 PHE HA H 73 4.750 5.064 -0.314 1
1 897 . 6 1 1 A 74 74 LYS N N 74 127.500 126.087 1.413 1
1 898 . 6 1 1 A 74 74 LYS CA C 74 56.186 56.166 0.020 1
1 899 . 6 1 1 A 74 74 LYS CB C 74 30.577 30.772 -0.195 1
1 903 . 6 1 1 A 74 74 LYS C C 74 174.575 175.237 -0.662 1
1 904 . 6 1 1 A 74 74 LYS H H 74 9.063 8.926 0.137 1
1 905 . 6 1 1 A 74 74 LYS HA H 74 4.690 4.547 0.143 1
1 914 . 6 1 1 A 75 75 VAL N N 75 126.600 123.605 2.995 1
1 915 . 6 1 1 A 75 75 VAL CA C 75 57.737 58.376 -0.639 1
1 916 . 6 1 1 A 75 75 VAL CB C 75 35.160 35.236 -0.076 1
1 919 . 6 1 1 A 75 75 VAL C C 75 171.500 173.495 -1.995 1
1 920 . 6 1 1 A 75 75 VAL H H 75 7.546 8.367 -0.821 1
1 921 . 6 1 1 A 75 75 VAL HA H 75 4.650 4.642 0.008 1
1 929 . 6 1 1 A 76 76 PRO CA C 76 62.476 62.702 -0.226 1
1 930 . 6 1 1 A 76 76 PRO CB C 76 32.143 32.597 -0.454 1
1 933 . 6 1 1 A 76 76 PRO C C 76 176.991 177.575 -0.584 1
1 934 . 6 1 1 A 76 76 PRO HA H 76 4.329 4.566 -0.237 1
1 941 . 6 1 1 A 77 77 TYR N N 77 128.500 125.159 3.341 1
1 942 . 6 1 1 A 77 77 TYR CA C 77 61.772 60.681 1.091 1
1 943 . 6 1 1 A 77 77 TYR CB C 77 37.898 37.490 0.408 1
1 944 . 6 1 1 A 77 77 TYR C C 77 177.516 177.706 -0.190 1
1 945 . 6 1 1 A 77 77 TYR H H 77 8.626 9.082 -0.456 1
1 946 . 6 1 1 A 77 77 TYR HA H 77 3.403 4.202 -0.799 1
1 950 . 6 1 1 A 78 78 SER N N 78 110.600 116.534 -5.934 1
1 951 . 6 1 1 A 78 78 SER H H 78 8.509 7.522 0.987 1
1 952 . 6 1 1 A 78 78 SER CA C 78 60.064 61.948 -1.884 1
1 953 . 6 1 1 A 78 78 SER CB C 78 62.022 62.794 -0.772 1
1 954 . 6 1 1 A 78 78 SER C C 78 175.292 175.919 -0.627 1
1 955 . 6 1 1 A 78 78 SER HA H 78 3.940 4.139 -0.199 1
1 958 . 6 1 1 A 79 79 GLU N N 79 119.000 121.027 -2.027 1
1 959 . 6 1 1 A 79 79 GLU CA C 79 55.273 56.380 -1.107 1
1 960 . 6 1 1 A 79 79 GLU CB C 79 30.302 30.111 0.191 1
1 962 . 6 1 1 A 79 79 GLU C C 79 177.218 179.026 -1.808 1
1 963 . 6 1 1 A 79 79 GLU H H 79 7.411 7.685 -0.274 1
1 964 . 6 1 1 A 79 79 GLU HA H 79 4.280 4.271 0.009 1
1 969 . 6 1 1 A 80 80 LEU N N 80 121.600 122.433 -0.833 1
1 970 . 6 1 1 A 80 80 LEU CA C 80 57.376 57.885 -0.509 1
1 971 . 6 1 1 A 80 80 LEU CB C 80 41.916 41.723 0.193 1
1 975 . 6 1 1 A 80 80 LEU C C 80 177.098 178.456 -1.358 1
1 976 . 6 1 1 A 80 80 LEU H H 80 7.311 8.248 -0.937 1
1 977 . 6 1 1 A 80 80 LEU HA H 80 3.643 4.010 -0.367 1
1 987 . 6 1 1 A 81 81 GLY N N 81 102.900 106.972 -4.072 1
1 988 . 6 1 1 A 81 81 GLY CA C 81 46.638 47.375 -0.737 1
1 989 . 6 1 1 A 81 81 GLY C C 81 174.240 176.613 -2.373 1
1 990 . 6 1 1 A 81 81 GLY H H 81 7.860 8.383 -0.523 1
1 991 . 6 1 1 A 81 81 GLY HA3 H 81 3.744 3.786 -0.042 1
1 992 . 6 1 1 A 81 81 GLY HA2 H 81 3.434 3.770 -0.336 1
1 993 . 6 1 1 A 82 82 GLY N N 82 105.900 108.816 -2.916 1
1 994 . 6 1 1 A 82 82 GLY CA C 82 44.289 46.996 -2.707 1
1 995 . 6 1 1 A 82 82 GLY C C 82 174.591 174.734 -0.143 1
1 996 . 6 1 1 A 82 82 GLY H H 82 7.396 8.206 -0.810 1
1 997 . 6 1 1 A 82 82 GLY HA3 H 82 4.267 3.843 0.424 1
1 998 . 6 1 1 A 82 82 GLY HA2 H 82 3.760 3.840 -0.080 1
1 999 . 6 1 1 A 83 83 LYS N N 83 119.000 118.926 0.074 1
1 1000 . 6 1 1 A 83 83 LYS CA C 83 53.818 54.883 -1.065 1
1 1001 . 6 1 1 A 83 83 LYS CB C 83 33.814 33.586 0.228 1
1 1005 . 6 1 1 A 83 83 LYS H H 83 7.888 7.606 0.282 1
1 1006 . 6 1 1 A 83 83 LYS HA H 83 4.366 4.667 -0.301 1
1 1007 . 6 1 1 A 83 83 LYS C C 83 176.518 176.000 0.518 1
1 1015 . 6 1 1 A 84 84 THR N N 84 118.500 113.050 5.450 1
1 1016 . 6 1 1 A 84 84 THR CA C 84 61.914 60.346 1.568 1
1 1017 . 6 1 1 A 84 84 THR CB C 84 71.340 71.234 0.106 1
1 1019 . 6 1 1 A 84 84 THR C C 84 171.750 173.316 -1.566 1
1 1020 . 6 1 1 A 84 84 THR H H 84 8.248 8.691 -0.443 1
1 1021 . 6 1 1 A 84 84 THR HA H 84 4.638 5.299 -0.661 1
1 1024 . 6 1 1 A 85 85 LEU N N 85 130.500 126.096 4.404 1
1 1025 . 6 1 1 A 85 85 LEU CA C 85 53.982 53.920 0.062 1
1 1026 . 6 1 1 A 85 85 LEU CB C 85 43.826 43.776 0.050 1
1 1030 . 6 1 1 A 85 85 LEU C C 85 173.417 176.178 -2.761 1
1 1031 . 6 1 1 A 85 85 LEU H H 85 8.430 8.671 -0.241 1
1 1032 . 6 1 1 A 85 85 LEU HA H 85 4.417 4.854 -0.437 1
1 1042 . 6 1 1 A 86 86 VAL N N 86 127.723 118.442 9.281 1
1 1043 . 6 1 1 A 86 86 VAL CA C 86 61.206 59.357 1.849 1
1 1044 . 6 1 1 A 86 86 VAL CB C 86 31.856 35.380 -3.524 1
1 1047 . 6 1 1 A 86 86 VAL C C 86 173.599 174.062 -0.463 1
1 1048 . 6 1 1 A 86 86 VAL H H 86 8.771 8.864 -0.093 1
1 1049 . 6 1 1 A 86 86 VAL HA H 86 4.151 4.878 -0.727 1
1 1057 . 6 1 1 A 87 87 MET N N 87 122.600 123.352 -0.752 1
1 1058 . 6 1 1 A 87 87 MET CA C 87 53.654 54.152 -0.498 1
1 1059 . 6 1 1 A 87 87 MET CB C 87 31.288 35.417 -4.129 1
1 1061 . 6 1 1 A 87 87 MET C C 87 172.749 174.486 -1.737 1
1 1062 . 6 1 1 A 87 87 MET H H 87 7.503 9.277 -1.774 1
1 1063 . 6 1 1 A 87 87 MET HA H 87 4.706 4.970 -0.264 1
1 1068 . 6 1 1 A 88 88 ALA N N 88 124.200 128.471 -4.271 1
1 1069 . 6 1 1 A 88 88 ALA CA C 88 50.017 50.740 -0.723 1
1 1070 . 6 1 1 A 88 88 ALA CB C 88 23.107 21.564 1.543 1
1 1071 . 6 1 1 A 88 88 ALA C C 88 174.558 176.169 -1.611 1
1 1072 . 6 1 1 A 88 88 ALA H H 88 8.755 8.906 -0.151 1
1 1073 . 6 1 1 A 88 88 ALA HA H 88 4.948 5.155 -0.207 1
1 1077 . 6 1 1 A 89 89 VAL N N 89 122.900 121.603 1.297 1
1 1078 . 6 1 1 A 89 89 VAL CA C 89 60.881 61.940 -1.059 1
1 1079 . 6 1 1 A 89 89 VAL CB C 89 31.541 32.066 -0.525 1
1 1082 . 6 1 1 A 89 89 VAL C C 89 173.707 174.668 -0.961 1
1 1083 . 6 1 1 A 89 89 VAL H H 89 8.813 8.529 0.284 1
1 1084 . 6 1 1 A 89 89 VAL HA H 89 4.652 4.695 -0.043 1
1 1092 . 6 1 1 A 90 90 TYR N N 90 128.400 127.941 0.459 1
1 1093 . 6 1 1 A 90 90 TYR CA C 90 56.230 56.230 0.000 1
1 1094 . 6 1 1 A 90 90 TYR CB C 90 43.211 41.847 1.364 1
1 1095 . 6 1 1 A 90 90 TYR C C 90 173.024 173.508 -0.484 1
1 1096 . 6 1 1 A 90 90 TYR H H 90 9.067 9.913 -0.846 1
1 1097 . 6 1 1 A 90 90 TYR HA H 90 4.766 5.393 -0.627 1
1 1101 . 6 1 1 A 91 91 ASP N N 91 116.300 128.718 -12.418 1
1 1102 . 6 1 1 A 91 91 ASP CA C 91 51.800 52.557 -0.757 1
1 1103 . 6 1 1 A 91 91 ASP CB C 91 42.265 42.634 -0.369 1
1 1104 . 6 1 1 A 91 91 ASP C C 91 175.823 174.501 1.322 1
1 1105 . 6 1 1 A 91 91 ASP H H 91 8.700 8.243 0.457 1
1 1106 . 6 1 1 A 91 91 ASP HA H 91 5.098 4.974 0.124 1
1 1109 . 6 1 1 A 92 92 PHE N N 92 128.100 127.454 0.646 1
1 1110 . 6 1 1 A 92 92 PHE CA C 92 58.830 56.492 2.338 1
1 1111 . 6 1 1 A 92 92 PHE CB C 92 31.850 38.838 -6.988 1
1 1112 . 6 1 1 A 92 92 PHE C C 92 173.437 175.476 -2.039 1
1 1113 . 6 1 1 A 92 92 PHE H H 92 9.540 8.457 1.083 1
1 1114 . 6 1 1 A 92 92 PHE HA H 92 4.480 4.354 0.126 1
1 1117 . 6 1 1 A 93 93 ASP N N 93 122.100 124.459 -2.359 1
1 1118 . 6 1 1 A 93 93 ASP CA C 93 53.701 52.946 0.755 1
1 1119 . 6 1 1 A 93 93 ASP CB C 93 41.736 40.125 1.611 1
1 1120 . 6 1 1 A 93 93 ASP C C 93 175.548 176.055 -0.507 1
1 1121 . 6 1 1 A 93 93 ASP H H 93 7.812 8.310 -0.498 1
1 1122 . 6 1 1 A 93 93 ASP HA H 93 4.480 4.950 -0.470 1
1 1125 . 6 1 1 A 94 94 ARG N N 94 121.500 113.693 7.807 1
1 1126 . 6 1 1 A 94 94 ARG CA C 94 56.142 57.342 -1.200 1
1 1127 . 6 1 1 A 94 94 ARG CB C 94 30.173 28.047 2.126 1
1 1129 . 6 1 1 A 94 94 ARG C C 94 175.795 175.162 0.633 1
1 1130 . 6 1 1 A 94 94 ARG H H 94 8.264 7.275 0.989 1
1 1131 . 6 1 1 A 94 94 ARG HA H 94 4.000 3.535 0.465 1
1 1138 . 6 1 1 A 95 95 PHE N N 95 118.600 118.125 0.475 1
1 1139 . 6 1 1 A 95 95 PHE CA C 95 59.850 58.870 0.980 1
1 1140 . 6 1 1 A 95 95 PHE CB C 95 38.955 41.045 -2.090 1
1 1141 . 6 1 1 A 95 95 PHE C C 95 172.969 174.750 -1.781 1
1 1142 . 6 1 1 A 95 95 PHE H H 95 6.889 7.752 -0.863 1
1 1143 . 6 1 1 A 95 95 PHE HA H 95 4.373 4.770 -0.397 1
1 1146 . 6 1 1 A 96 96 SER N N 96 114.200 111.359 2.841 1
1 1147 . 6 1 1 A 96 96 SER H H 96 8.027 7.703 0.324 1
1 1148 . 6 1 1 A 96 96 SER CA C 96 57.596 58.066 -0.470 1
1 1149 . 6 1 1 A 96 96 SER CB C 96 63.494 65.000 -1.506 1
1 1150 . 6 1 1 A 96 96 SER C C 96 174.149 173.805 0.344 1
1 1151 . 6 1 1 A 96 96 SER HA H 96 4.220 4.386 -0.166 1
1 1154 . 6 1 1 A 97 97 LYS N N 97 121.600 120.994 0.606 1
1 1155 . 6 1 1 A 97 97 LYS CA C 97 58.206 55.816 2.390 1
1 1156 . 6 1 1 A 97 97 LYS CB C 97 31.860 32.696 -0.836 1
1 1159 . 6 1 1 A 97 97 LYS H H 97 8.264 8.485 -0.221 1
1 1160 . 6 1 1 A 97 97 LYS HA H 97 4.202 4.176 0.026 1
1 1161 . 6 1 1 A 97 97 LYS C C 97 175.599 176.284 -0.685 1
1 1170 . 6 1 1 A 98 98 HIS N N 98 119.000 122.945 -3.945 1
1 1171 . 6 1 1 A 98 98 HIS CA C 98 54.159 56.043 -1.884 1
1 1172 . 6 1 1 A 98 98 HIS CB C 98 30.040 30.022 0.018 1
1 1173 . 6 1 1 A 98 98 HIS C C 98 174.050 174.865 -0.815 1
1 1174 . 6 1 1 A 98 98 HIS H H 98 8.350 8.054 0.296 1
1 1175 . 6 1 1 A 98 98 HIS HA H 98 4.784 5.142 -0.358 1
1 1178 . 6 1 1 A 99 99 ASP N N 99 122.600 125.623 -3.023 1
1 1179 . 6 1 1 A 99 99 ASP CA C 99 53.806 54.286 -0.480 1
1 1180 . 6 1 1 A 99 99 ASP CB C 99 41.074 41.962 -0.888 1
1 1181 . 6 1 1 A 99 99 ASP C C 99 174.346 176.181 -1.835 1
1 1182 . 6 1 1 A 99 99 ASP H H 99 8.812 8.718 0.094 1
1 1183 . 6 1 1 A 99 99 ASP HA H 99 4.781 4.897 -0.116 1
1 1186 . 6 1 1 A 100 100 ILE N N 100 122.400 124.159 -1.759 1
1 1187 . 6 1 1 A 100 100 ILE CA C 100 60.989 62.460 -1.471 1
1 1188 . 6 1 1 A 100 100 ILE CB C 100 38.823 37.772 1.051 1
1 1192 . 6 1 1 A 100 100 ILE C C 100 174.431 178.043 -3.612 1
1 1193 . 6 1 1 A 100 100 ILE H H 100 8.075 8.943 -0.868 1
1 1194 . 6 1 1 A 100 100 ILE HA H 100 3.405 4.281 -0.876 1
1 1204 . 6 1 1 A 101 101 ILE N N 101 127.400 123.989 3.411 1
1 1205 . 6 1 1 A 101 101 ILE CA C 101 63.380 63.318 0.062 1
1 1206 . 6 1 1 A 101 101 ILE CB C 101 38.058 38.237 -0.179 1
1 1210 . 6 1 1 A 101 101 ILE C C 101 175.859 176.261 -0.402 1
1 1211 . 6 1 1 A 101 101 ILE H H 101 9.219 8.522 0.697 1
1 1212 . 6 1 1 A 101 101 ILE HA H 101 3.869 4.070 -0.201 1
1 1219 . 6 1 1 A 102 102 GLY N N 102 101.500 109.585 -8.085 1
1 1220 . 6 1 1 A 102 102 GLY CA C 102 45.259 46.072 -0.813 1
1 1221 . 6 1 1 A 102 102 GLY C C 102 169.614 171.490 -1.876 1
1 1222 . 6 1 1 A 102 102 GLY H H 102 7.241 7.311 -0.070 1
1 1223 . 6 1 1 A 102 102 GLY HA3 H 102 4.024 4.088 -0.064 1
1 1224 . 6 1 1 A 102 102 GLY HA2 H 102 3.811 4.083 -0.272 1
1 1225 . 6 1 1 A 103 103 GLU N N 103 117.100 119.798 -2.698 1
1 1226 . 6 1 1 A 103 103 GLU CA C 103 54.229 56.087 -1.858 1
1 1227 . 6 1 1 A 103 103 GLU CB C 103 34.012 33.458 0.554 1
1 1229 . 6 1 1 A 103 103 GLU C C 103 173.993 174.507 -0.514 1
1 1230 . 6 1 1 A 103 103 GLU H H 103 9.499 8.932 0.567 1
1 1231 . 6 1 1 A 103 103 GLU HA H 103 5.513 5.265 0.248 1
1 1236 . 6 1 1 A 104 104 PHE N N 104 115.900 126.094 -10.194 1
1 1237 . 6 1 1 A 104 104 PHE CA C 104 58.037 57.871 0.166 1
1 1238 . 6 1 1 A 104 104 PHE CB C 104 41.030 42.746 -1.716 1
1 1239 . 6 1 1 A 104 104 PHE C C 104 171.749 173.684 -1.935 1
1 1240 . 6 1 1 A 104 104 PHE H H 104 8.525 8.668 -0.143 1
1 1241 . 6 1 1 A 104 104 PHE HA H 104 4.731 5.001 -0.270 1
1 1244 . 6 1 1 A 105 105 LYS N N 105 118.900 126.893 -7.993 1
1 1245 . 6 1 1 A 105 105 LYS CA C 105 53.771 55.126 -1.355 1
1 1246 . 6 1 1 A 105 105 LYS CB C 105 34.953 34.654 0.299 1
1 1250 . 6 1 1 A 105 105 LYS H H 105 7.805 8.401 -0.596 1
1 1251 . 6 1 1 A 105 105 LYS HA H 105 5.188 4.827 0.361 1
1 1252 . 6 1 1 A 105 105 LYS C C 105 175.389 173.978 1.411 1
1 1261 . 6 1 1 A 106 106 VAL N N 106 121.400 120.552 0.848 1
1 1262 . 6 1 1 A 106 106 VAL CA C 106 58.522 58.539 -0.017 1
1 1263 . 6 1 1 A 106 106 VAL CB C 106 34.050 35.115 -1.065 1
1 1266 . 6 1 1 A 106 106 VAL C C 106 173.300 173.357 -0.057 1
1 1267 . 6 1 1 A 106 106 VAL H H 106 9.276 8.552 0.724 1
1 1268 . 6 1 1 A 106 106 VAL HA H 106 4.430 4.617 -0.187 1
1 1276 . 6 1 1 A 107 107 PRO CA C 107 62.265 63.265 -1.000 1
1 1277 . 6 1 1 A 107 107 PRO CB C 107 31.157 32.158 -1.001 1
1 1280 . 6 1 1 A 107 107 PRO C C 107 178.967 178.121 0.846 1
1 1281 . 6 1 1 A 107 107 PRO HA H 107 4.703 4.488 0.215 1
1 1288 . 6 1 1 A 108 108 MET N N 108 126.300 124.589 1.711 1
1 1289 . 6 1 1 A 108 108 MET CA C 108 56.728 57.736 -1.008 1
1 1290 . 6 1 1 A 108 108 MET CB C 108 32.909 32.323 0.586 1
1 1292 . 6 1 1 A 108 108 MET C C 108 176.858 178.280 -1.422 1
1 1293 . 6 1 1 A 108 108 MET H H 108 8.716 8.305 0.411 1
1 1294 . 6 1 1 A 108 108 MET HA H 108 4.483 4.364 0.119 1
1 1299 . 6 1 1 A 109 109 ASN N N 109 115.600 116.578 -0.978 1
1 1300 . 6 1 1 A 109 109 ASN CA C 109 53.983 55.586 -1.603 1
1 1301 . 6 1 1 A 109 109 ASN CB C 109 36.227 37.282 -1.055 1
1 1302 . 6 1 1 A 109 109 ASN C C 109 175.789 176.678 -0.889 1
1 1303 . 6 1 1 A 109 109 ASN H H 109 8.342 8.859 -0.517 1
1 1304 . 6 1 1 A 109 109 ASN HA H 109 4.564 4.516 0.048 1
1 1310 . 6 1 1 A 110 110 THR N N 110 107.600 108.954 -1.354 1
1 1311 . 6 1 1 A 110 110 THR CA C 110 61.115 62.707 -1.592 1
1 1312 . 6 1 1 A 110 110 THR CB C 110 62.929 69.561 -6.632 1
1 1314 . 6 1 1 A 110 110 THR C C 110 173.508 174.627 -1.119 1
1 1315 . 6 1 1 A 110 110 THR H H 110 7.522 7.998 -0.476 1
1 1316 . 6 1 1 A 110 110 THR HA H 110 4.461 4.351 0.110 1
1 1319 . 6 1 1 A 111 111 VAL N N 111 123.700 122.906 0.794 1
1 1320 . 6 1 1 A 111 111 VAL CA C 111 61.782 60.923 0.859 1
1 1321 . 6 1 1 A 111 111 VAL CB C 111 32.821 32.794 0.027 1
1 1324 . 6 1 1 A 111 111 VAL C C 111 173.903 174.382 -0.479 1
1 1325 . 6 1 1 A 111 111 VAL H H 111 6.960 7.296 -0.336 1
1 1326 . 6 1 1 A 111 111 VAL HA H 111 3.703 4.424 -0.721 1
1 1334 . 6 1 1 A 112 112 ASP N N 112 125.800 128.301 -2.501 1
1 1335 . 6 1 1 A 112 112 ASP CA C 112 51.777 53.280 -1.503 1
1 1336 . 6 1 1 A 112 112 ASP CB C 112 40.648 41.513 -0.865 1
1 1337 . 6 1 1 A 112 112 ASP C C 112 175.407 175.418 -0.011 1
1 1338 . 6 1 1 A 112 112 ASP H H 112 8.341 8.853 -0.512 1
1 1339 . 6 1 1 A 112 112 ASP HA H 112 4.719 5.012 -0.293 1
1 1342 . 6 1 1 A 113 113 PHE N N 113 122.700 122.589 0.111 1
1 1343 . 6 1 1 A 113 113 PHE CA C 113 59.887 55.887 4.000 1
1 1344 . 6 1 1 A 113 113 PHE CB C 113 37.999 36.461 1.538 1
1 1345 . 6 1 1 A 113 113 PHE C C 113 175.854 176.387 -0.533 1
1 1346 . 6 1 1 A 113 113 PHE H H 113 8.391 8.949 -0.558 1
1 1347 . 6 1 1 A 113 113 PHE HA H 113 4.670 4.622 0.048 1
1 1350 . 6 1 1 A 114 114 GLY N N 114 108.608 109.674 -1.066 1
1 1351 . 6 1 1 A 114 114 GLY CA C 114 45.657 47.226 -1.569 1
1 1352 . 6 1 1 A 114 114 GLY C C 114 172.963 174.975 -2.012 1
1 1353 . 6 1 1 A 114 114 GLY H H 114 8.953 8.539 0.414 1
1 1354 . 6 1 1 A 114 114 GLY HA3 H 114 4.018 3.741 0.277 1
1 1355 . 6 1 1 A 114 114 GLY HA2 H 114 3.912 3.518 0.394 1
1 1356 . 6 1 1 A 115 115 HIS N N 115 114.926 114.744 0.182 1
1 1357 . 6 1 1 A 115 115 HIS CA C 115 53.533 54.278 -0.745 1
1 1358 . 6 1 1 A 115 115 HIS CB C 115 30.349 30.740 -0.391 1
1 1359 . 6 1 1 A 115 115 HIS C C 115 172.453 173.291 -0.838 1
1 1360 . 6 1 1 A 115 115 HIS H H 115 7.510 7.722 -0.212 1
1 1361 . 6 1 1 A 115 115 HIS HA H 115 4.868 5.077 -0.209 1
1 1364 . 6 1 1 A 116 116 VAL N N 116 122.100 119.675 2.425 1
1 1365 . 6 1 1 A 116 116 VAL CA C 116 62.992 61.040 1.952 1
1 1366 . 6 1 1 A 116 116 VAL CB C 116 31.850 34.246 -2.396 1
1 1369 . 6 1 1 A 116 116 VAL C C 116 176.352 174.702 1.650 1
1 1370 . 6 1 1 A 116 116 VAL H H 116 8.460 8.502 -0.042 1
1 1371 . 6 1 1 A 116 116 VAL HA H 116 4.268 4.602 -0.334 1
1 1379 . 6 1 1 A 117 117 THR N N 117 124.700 123.769 0.931 1
1 1380 . 6 1 1 A 117 117 THR CA C 117 61.694 61.979 -0.285 1
1 1381 . 6 1 1 A 117 117 THR CB C 117 70.001 68.301 1.700 1
1 1383 . 6 1 1 A 117 117 THR C C 117 172.762 173.898 -1.136 1
1 1384 . 6 1 1 A 117 117 THR H H 117 8.550 9.658 -1.108 1
1 1385 . 6 1 1 A 117 117 THR HA H 117 4.460 4.430 0.030 1
1 1388 . 6 1 1 A 118 118 GLU N N 118 126.000 126.550 -0.550 1
1 1389 . 6 1 1 A 118 118 GLU CA C 118 55.038 55.131 -0.093 1
1 1390 . 6 1 1 A 118 118 GLU CB C 118 30.835 31.225 -0.390 1
1 1392 . 6 1 1 A 118 118 GLU C C 118 174.419 175.103 -0.684 1
1 1393 . 6 1 1 A 118 118 GLU H H 118 8.382 8.954 -0.572 1
1 1394 . 6 1 1 A 118 118 GLU HA H 118 4.776 4.940 -0.164 1
1 1399 . 6 1 1 A 119 119 GLU N N 119 123.000 120.808 2.192 1
1 1400 . 6 1 1 A 119 119 GLU CA C 119 54.292 54.686 -0.394 1
1 1401 . 6 1 1 A 119 119 GLU CB C 119 32.909 33.423 -0.514 1
1 1403 . 6 1 1 A 119 119 GLU C C 119 173.072 174.396 -1.324 1
1 1404 . 6 1 1 A 119 119 GLU H H 119 8.057 8.622 -0.565 1
1 1405 . 6 1 1 A 119 119 GLU HA H 119 4.631 4.378 0.253 1
1 1410 . 6 1 1 A 120 120 TRP N N 120 118.300 122.167 -3.867 1
1 1411 . 6 1 1 A 120 120 TRP C C 120 177.336 175.345 1.991 1
1 1412 . 6 1 1 A 120 120 TRP CA C 120 55.672 56.724 -1.052 1
1 1413 . 6 1 1 A 120 120 TRP CB C 120 31.259 30.137 1.122 1
1 1414 . 6 1 1 A 120 120 TRP H H 120 8.212 8.302 -0.090 1
1 1415 . 6 1 1 A 120 120 TRP HA H 120 5.322 5.173 0.149 1
1 1424 . 6 1 1 A 121 121 ARG N N 121 120.900 126.467 -5.567 1
1 1425 . 6 1 1 A 121 121 ARG CA C 121 53.631 53.964 -0.333 1
1 1426 . 6 1 1 A 121 121 ARG CB C 121 32.865 33.301 -0.436 1
1 1429 . 6 1 1 A 121 121 ARG C C 121 174.321 174.299 0.022 1
1 1430 . 6 1 1 A 121 121 ARG H H 121 9.012 8.903 0.109 1
1 1431 . 6 1 1 A 121 121 ARG HA H 121 4.488 4.949 -0.461 1
1 1438 . 6 1 1 A 122 122 ASP N N 122 121.600 126.332 -4.732 1
1 1439 . 6 1 1 A 122 122 ASP CA C 122 53.795 52.929 0.866 1
1 1440 . 6 1 1 A 122 122 ASP CB C 122 40.544 42.529 -1.985 1
1 1441 . 6 1 1 A 122 122 ASP C C 122 176.041 175.023 1.018 1
1 1442 . 6 1 1 A 122 122 ASP H H 122 8.226 8.291 -0.065 1
1 1443 . 6 1 1 A 122 122 ASP HA H 122 4.791 4.996 -0.205 1
1 1446 . 6 1 1 A 123 123 LEU N N 123 120.700 125.782 -5.082 1
1 1447 . 6 1 1 A 123 123 LEU CA C 123 54.997 54.266 0.731 1
1 1448 . 6 1 1 A 123 123 LEU CB C 123 41.765 42.057 -0.292 1
1 1452 . 6 1 1 A 123 123 LEU C C 123 175.964 176.599 -0.635 1
1 1453 . 6 1 1 A 123 123 LEU H H 123 8.436 8.927 -0.491 1
1 1454 . 6 1 1 A 123 123 LEU HA H 123 4.125 4.813 -0.688 1
1 1464 . 6 1 1 A 124 124 GLN N N 124 119.200 125.279 -6.079 1
1 1466 . 6 1 1 A 124 124 GLN CA C 124 53.278 54.816 -1.538 1
1 1467 . 6 1 1 A 124 124 GLN CB C 124 31.232 30.599 0.633 1
1 1469 . 6 1 1 A 124 124 GLN C C 124 175.183 175.108 0.075 1
1 1470 . 6 1 1 A 124 124 GLN H H 124 9.020 8.550 0.470 1
1 1471 . 6 1 1 A 124 124 GLN HA H 124 4.738 5.048 -0.310 1
1 1478 . 6 1 1 A 125 125 SER N N 125 115.300 118.656 -3.356 1
1 1479 . 6 1 1 A 125 125 SER H H 125 8.543 8.827 -0.284 1
1 1480 . 6 1 1 A 125 125 SER CA C 125 58.477 57.462 1.015 1
1 1481 . 6 1 1 A 125 125 SER CB C 125 63.274 63.410 -0.136 1
1 1482 . 6 1 1 A 125 125 SER C C 125 174.609 173.776 0.833 1
1 1483 . 6 1 1 A 125 125 SER HA H 125 4.235 4.830 -0.595 1
1 1486 . 6 1 1 A 126 126 ALA N N 126 126.900 130.575 -3.675 1
1 1487 . 6 1 1 A 126 126 ALA CA C 126 51.636 50.294 1.342 1
1 1488 . 6 1 1 A 126 126 ALA CB C 126 19.845 21.306 -1.461 1
1 1489 . 6 1 1 A 126 126 ALA C C 126 176.876 176.423 0.453 1
1 1490 . 6 1 1 A 126 126 ALA H H 126 8.640 8.964 -0.324 1
1 1491 . 6 1 1 A 126 126 ALA HA H 126 4.216 5.222 -1.006 1
1 1495 . 6 1 1 A 127 127 GLU N N 127 120.600 122.608 -2.008 1
1 1496 . 6 1 1 A 127 127 GLU CA C 127 56.142 55.031 1.111 1
1 1497 . 6 1 1 A 127 127 GLU CB C 127 29.996 29.616 0.380 1
1 1499 . 6 1 1 A 127 127 GLU C C 127 175.129 175.681 -0.552 1
1 1500 . 6 1 1 A 127 127 GLU H H 127 8.204 8.637 -0.433 1
1 1501 . 6 1 1 A 127 127 GLU HA H 127 4.176 4.711 -0.535 1
1 12 . 7 1 1 A 2 2 LYS N N 2 123.200 121.069 2.131 1
1 13 . 7 1 1 A 2 2 LYS CA C 2 55.550 56.808 -1.258 1
1 14 . 7 1 1 A 2 2 LYS CB C 2 31.730 30.575 1.155 1
1 18 . 7 1 1 A 2 2 LYS H H 2 8.320 8.819 -0.499 1
1 19 . 7 1 1 A 2 2 LYS C C 2 176.041 176.375 -0.334 1
1 20 . 7 1 1 A 2 2 LYS HA H 2 4.413 3.909 0.504 1
1 29 . 7 1 1 A 3 3 LEU N N 3 124.700 123.929 0.771 1
1 30 . 7 1 1 A 3 3 LEU CA C 3 53.800 55.687 -1.887 1
1 31 . 7 1 1 A 3 3 LEU CB C 3 43.351 43.353 -0.002 1
1 35 . 7 1 1 A 3 3 LEU C C 3 173.289 176.697 -3.408 1
1 36 . 7 1 1 A 3 3 LEU H H 3 8.319 8.018 0.301 1
1 37 . 7 1 1 A 3 3 LEU HA H 3 4.363 4.307 0.056 1
1 47 . 7 1 1 A 4 4 GLY N N 4 102.100 107.281 -5.181 1
1 48 . 7 1 1 A 4 4 GLY CA C 4 44.232 44.123 0.109 1
1 49 . 7 1 1 A 4 4 GLY C C 4 174.476 172.907 1.569 1
1 50 . 7 1 1 A 4 4 GLY H H 4 7.412 7.769 -0.357 1
1 51 . 7 1 1 A 4 4 GLY HA3 H 4 4.367 4.032 0.335 1
1 52 . 7 1 1 A 4 4 GLY HA2 H 4 3.662 4.030 -0.368 1
1 53 . 7 1 1 A 5 5 LYS N N 5 114.993 120.387 -5.394 1
1 54 . 7 1 1 A 5 5 LYS CA C 5 54.807 54.523 0.284 1
1 55 . 7 1 1 A 5 5 LYS CB C 5 36.664 36.721 -0.057 1
1 59 . 7 1 1 A 5 5 LYS C C 5 173.762 174.655 -0.893 1
1 60 . 7 1 1 A 5 5 LYS H H 5 8.748 8.324 0.424 1
1 61 . 7 1 1 A 5 5 LYS HA H 5 5.333 5.187 0.146 1
1 70 . 7 1 1 A 6 6 LEU N N 6 122.195 123.745 -1.550 1
1 71 . 7 1 1 A 6 6 LEU CA C 6 53.760 53.668 0.092 1
1 72 . 7 1 1 A 6 6 LEU CB C 6 47.948 44.853 3.095 1
1 76 . 7 1 1 A 6 6 LEU C C 6 172.524 175.243 -2.719 1
1 77 . 7 1 1 A 6 6 LEU H H 6 9.058 9.259 -0.201 1
1 78 . 7 1 1 A 6 6 LEU HA H 6 5.312 5.667 -0.355 1
1 88 . 7 1 1 A 7 7 GLN N N 7 127.800 124.887 2.913 1
1 90 . 7 1 1 A 7 7 GLN CA C 7 52.595 55.024 -2.429 1
1 91 . 7 1 1 A 7 7 GLN CB C 7 28.032 29.512 -1.480 1
1 93 . 7 1 1 A 7 7 GLN C C 7 173.707 174.363 -0.656 1
1 94 . 7 1 1 A 7 7 GLN H H 7 8.945 8.408 0.537 1
1 95 . 7 1 1 A 7 7 GLN HA H 7 5.170 5.100 0.070 1
1 102 . 7 1 1 A 8 8 TYR N N 8 125.700 124.116 1.584 1
1 103 . 7 1 1 A 8 8 TYR CA C 8 54.578 57.410 -2.832 1
1 104 . 7 1 1 A 8 8 TYR CB C 8 42.236 40.403 1.833 1
1 105 . 7 1 1 A 8 8 TYR C C 8 171.582 173.855 -2.273 1
1 106 . 7 1 1 A 8 8 TYR H H 8 8.445 8.846 -0.401 1
1 107 . 7 1 1 A 8 8 TYR HA H 8 5.401 4.896 0.505 1
1 110 . 7 1 1 A 9 9 SER N N 9 113.300 114.906 -1.606 1
1 111 . 7 1 1 A 9 9 SER H H 9 9.486 8.697 0.789 1
1 112 . 7 1 1 A 9 9 SER CA C 9 55.195 56.447 -1.252 1
1 113 . 7 1 1 A 9 9 SER CB C 9 67.116 64.221 2.895 1
1 114 . 7 1 1 A 9 9 SER C C 9 173.486 172.867 0.619 1
1 115 . 7 1 1 A 9 9 SER HA H 9 5.400 6.398 -0.998 1
1 118 . 7 1 1 A 10 10 LEU N N 10 120.700 126.595 -5.895 1
1 119 . 7 1 1 A 10 10 LEU CA C 10 53.388 53.489 -0.101 1
1 120 . 7 1 1 A 10 10 LEU CB C 10 46.946 44.911 2.035 1
1 121 . 7 1 1 A 10 10 LEU C C 10 174.640 175.065 -0.425 1
1 125 . 7 1 1 A 10 10 LEU H H 10 8.698 9.091 -0.393 1
1 126 . 7 1 1 A 10 10 LEU HA H 10 5.471 5.363 0.108 1
1 136 . 7 1 1 A 11 11 ASP N N 11 119.760 124.404 -4.644 1
1 137 . 7 1 1 A 11 11 ASP CA C 11 52.525 52.980 -0.455 1
1 138 . 7 1 1 A 11 11 ASP CB C 11 44.683 44.960 -0.277 1
1 139 . 7 1 1 A 11 11 ASP C C 11 173.093 174.107 -1.014 1
1 140 . 7 1 1 A 11 11 ASP H H 11 8.673 9.220 -0.547 1
1 141 . 7 1 1 A 11 11 ASP HA H 11 5.126 5.262 -0.136 1
1 144 . 7 1 1 A 12 12 TYR N N 12 124.200 117.118 7.082 1
1 145 . 7 1 1 A 12 12 TYR CA C 12 57.883 55.455 2.428 1
1 146 . 7 1 1 A 12 12 TYR CB C 12 40.054 41.465 -1.411 1
1 147 . 7 1 1 A 12 12 TYR C C 12 171.962 173.004 -1.042 1
1 148 . 7 1 1 A 12 12 TYR H H 12 8.898 8.963 -0.065 1
1 149 . 7 1 1 A 12 12 TYR HA H 12 4.609 5.758 -1.149 1
1 154 . 7 1 1 A 13 13 ASP N N 13 126.400 124.877 1.523 1
1 155 . 7 1 1 A 13 13 ASP CA C 13 51.141 52.357 -1.216 1
1 156 . 7 1 1 A 13 13 ASP CB C 13 40.891 41.253 -0.362 1
1 157 . 7 1 1 A 13 13 ASP C C 13 175.599 176.335 -0.736 1
1 158 . 7 1 1 A 13 13 ASP H H 13 8.018 8.867 -0.849 1
1 159 . 7 1 1 A 13 13 ASP HA H 13 4.591 4.629 -0.038 1
1 162 . 7 1 1 A 14 14 PHE N N 14 123.575 123.729 -0.154 1
1 163 . 7 1 1 A 14 14 PHE CA C 14 60.734 58.327 2.407 1
1 164 . 7 1 1 A 14 14 PHE CB C 14 38.821 38.486 0.335 1
1 165 . 7 1 1 A 14 14 PHE C C 14 176.704 175.972 0.732 1
1 166 . 7 1 1 A 14 14 PHE H H 14 8.540 7.788 0.752 1
1 167 . 7 1 1 A 14 14 PHE HA H 14 4.187 4.459 -0.272 1
1 170 . 7 1 1 A 15 15 GLN N N 15 118.500 116.996 1.504 1
1 172 . 7 1 1 A 15 15 GLN CA C 15 57.927 55.779 2.148 1
1 173 . 7 1 1 A 15 15 GLN CB C 15 28.129 27.509 0.620 1
1 175 . 7 1 1 A 15 15 GLN C C 15 176.646 176.589 0.057 1
1 176 . 7 1 1 A 15 15 GLN H H 15 8.307 6.943 1.364 1
1 177 . 7 1 1 A 15 15 GLN HA H 15 4.150 4.152 -0.002 1
1 184 . 7 1 1 A 16 16 ASN N N 16 113.392 116.550 -3.158 1
1 185 . 7 1 1 A 16 16 ASN CA C 16 52.051 51.914 0.137 1
1 186 . 7 1 1 A 16 16 ASN CB C 16 39.238 37.879 1.359 1
1 187 . 7 1 1 A 16 16 ASN C C 16 173.191 175.241 -2.050 1
1 188 . 7 1 1 A 16 16 ASN H H 16 7.347 7.422 -0.075 1
1 189 . 7 1 1 A 16 16 ASN HA H 16 4.682 4.669 0.013 1
1 195 . 7 1 1 A 17 17 ASN N N 17 118.200 116.118 2.082 1
1 196 . 7 1 1 A 17 17 ASN CA C 17 54.524 54.550 -0.026 1
1 197 . 7 1 1 A 17 17 ASN CB C 17 36.825 36.973 -0.148 1
1 198 . 7 1 1 A 17 17 ASN C C 17 175.797 173.902 1.895 1
1 199 . 7 1 1 A 17 17 ASN H H 17 7.682 8.145 -0.463 1
1 200 . 7 1 1 A 17 17 ASN HA H 17 4.300 4.461 -0.161 1
1 206 . 7 1 1 A 18 18 GLN N N 18 110.518 113.315 -2.797 1
1 208 . 7 1 1 A 18 18 GLN CA C 18 52.888 54.248 -1.360 1
1 209 . 7 1 1 A 18 18 GLN CB C 18 31.353 31.916 -0.563 1
1 211 . 7 1 1 A 18 18 GLN C C 18 171.717 174.291 -2.574 1
1 212 . 7 1 1 A 18 18 GLN H H 18 6.757 7.244 -0.487 1
1 213 . 7 1 1 A 18 18 GLN HA H 18 4.911 5.109 -0.198 1
1 220 . 7 1 1 A 19 19 LEU N N 19 124.400 124.384 0.016 1
1 221 . 7 1 1 A 19 19 LEU CA C 19 53.873 54.350 -0.477 1
1 222 . 7 1 1 A 19 19 LEU CB C 19 44.558 42.430 2.128 1
1 226 . 7 1 1 A 19 19 LEU C C 19 173.731 176.088 -2.357 1
1 227 . 7 1 1 A 19 19 LEU H H 19 9.048 8.429 0.619 1
1 228 . 7 1 1 A 19 19 LEU HA H 19 4.543 4.743 -0.200 1
1 238 . 7 1 1 A 20 20 LEU N N 20 128.415 122.520 5.895 1
1 239 . 7 1 1 A 20 20 LEU CA C 20 53.695 53.537 0.158 1
1 240 . 7 1 1 A 20 20 LEU CB C 20 41.956 45.099 -3.143 1
1 244 . 7 1 1 A 20 20 LEU C C 20 175.696 175.564 0.132 1
1 245 . 7 1 1 A 20 20 LEU H H 20 9.021 9.233 -0.212 1
1 246 . 7 1 1 A 20 20 LEU HA H 20 4.852 5.442 -0.590 1
1 256 . 7 1 1 A 21 21 VAL N N 21 125.838 125.029 0.809 1
1 257 . 7 1 1 A 21 21 VAL CA C 21 60.511 61.410 -0.899 1
1 258 . 7 1 1 A 21 21 VAL CB C 21 45.331 32.722 12.609 1
1 260 . 7 1 1 A 21 21 VAL C C 21 173.979 174.985 -1.006 1
1 261 . 7 1 1 A 21 21 VAL H H 21 9.073 9.583 -0.510 1
1 262 . 7 1 1 A 21 21 VAL HA H 21 4.853 4.514 0.339 1
1 270 . 7 1 1 A 22 22 GLY N N 22 117.254 113.731 3.523 1
1 271 . 7 1 1 A 22 22 GLY CA C 22 43.843 45.324 -1.481 1
1 272 . 7 1 1 A 22 22 GLY C C 22 172.485 173.958 -1.473 1
1 273 . 7 1 1 A 22 22 GLY H H 22 9.486 8.570 0.916 1
1 274 . 7 1 1 A 22 22 GLY HA3 H 22 4.653 3.977 0.676 1
1 275 . 7 1 1 A 22 22 GLY HA2 H 22 3.520 3.904 -0.384 1
1 276 . 7 1 1 A 23 23 ILE N N 23 125.106 122.058 3.048 1
1 277 . 7 1 1 A 23 23 ILE CA C 23 58.182 59.599 -1.417 1
1 278 . 7 1 1 A 23 23 ILE CB C 23 35.290 38.293 -3.003 1
1 282 . 7 1 1 A 23 23 ILE C C 23 174.346 175.752 -1.406 1
1 283 . 7 1 1 A 23 23 ILE H H 23 8.831 7.904 0.927 1
1 284 . 7 1 1 A 23 23 ILE HA H 23 4.330 4.791 -0.461 1
1 294 . 7 1 1 A 24 24 ILE N N 24 126.735 120.794 5.941 1
1 295 . 7 1 1 A 24 24 ILE CA C 24 65.005 62.552 2.453 1
1 296 . 7 1 1 A 24 24 ILE CB C 24 37.790 38.425 -0.635 1
1 300 . 7 1 1 A 24 24 ILE C C 24 177.149 176.145 1.004 1
1 301 . 7 1 1 A 24 24 ILE H H 24 8.365 8.554 -0.189 1
1 302 . 7 1 1 A 24 24 ILE HA H 24 3.903 4.111 -0.208 1
1 312 . 7 1 1 A 25 25 GLN N N 25 110.662 114.874 -4.212 1
1 314 . 7 1 1 A 25 25 GLN CA C 25 54.295 54.448 -0.153 1
1 315 . 7 1 1 A 25 25 GLN CB C 25 30.953 31.834 -0.881 1
1 317 . 7 1 1 A 25 25 GLN C C 25 171.152 173.252 -2.100 1
1 318 . 7 1 1 A 25 25 GLN H H 25 7.706 7.658 0.048 1
1 319 . 7 1 1 A 25 25 GLN HA H 25 5.123 4.676 0.447 1
1 325 . 7 1 1 A 26 26 ALA N N 26 121.300 123.198 -1.898 1
1 326 . 7 1 1 A 26 26 ALA CA C 26 49.951 50.164 -0.213 1
1 327 . 7 1 1 A 26 26 ALA CB C 26 22.406 22.556 -0.150 1
1 328 . 7 1 1 A 26 26 ALA C C 26 171.937 175.655 -3.718 1
1 329 . 7 1 1 A 26 26 ALA H H 26 9.195 8.229 0.966 1
1 330 . 7 1 1 A 26 26 ALA HA H 26 5.740 6.048 -0.308 1
1 334 . 7 1 1 A 27 27 ALA N N 27 120.100 121.551 -1.451 1
1 335 . 7 1 1 A 27 27 ALA CA C 27 50.524 50.554 -0.030 1
1 336 . 7 1 1 A 27 27 ALA CB C 27 24.047 21.160 2.887 1
1 337 . 7 1 1 A 27 27 ALA C C 27 174.984 176.835 -1.851 1
1 338 . 7 1 1 A 27 27 ALA H H 27 9.118 8.622 0.496 1
1 339 . 7 1 1 A 27 27 ALA HA H 27 5.353 4.796 0.557 1
1 343 . 7 1 1 A 28 28 GLU N N 28 112.600 120.149 -7.549 1
1 344 . 7 1 1 A 28 28 GLU CA C 28 56.032 57.343 -1.311 1
1 345 . 7 1 1 A 28 28 GLU CB C 28 25.966 27.532 -1.566 1
1 347 . 7 1 1 A 28 28 GLU C C 28 174.427 175.356 -0.929 1
1 348 . 7 1 1 A 28 28 GLU H H 28 8.453 8.549 -0.096 1
1 349 . 7 1 1 A 28 28 GLU HA H 28 3.648 3.802 -0.154 1
1 354 . 7 1 1 A 29 29 LEU N N 29 116.093 120.636 -4.543 1
1 355 . 7 1 1 A 29 29 LEU CA C 29 53.295 51.514 1.781 1
1 356 . 7 1 1 A 29 29 LEU CB C 29 39.640 41.926 -2.286 1
1 360 . 7 1 1 A 29 29 LEU C C 29 173.800 174.660 -0.860 1
1 361 . 7 1 1 A 29 29 LEU H H 29 7.951 8.447 -0.496 1
1 362 . 7 1 1 A 29 29 LEU HA H 29 4.330 4.946 -0.616 1
1 372 . 7 1 1 A 30 30 PRO CA C 30 61.760 63.232 -1.472 1
1 373 . 7 1 1 A 30 30 PRO CB C 30 31.492 32.199 -0.707 1
1 376 . 7 1 1 A 30 30 PRO C C 30 175.525 176.593 -1.068 1
1 377 . 7 1 1 A 30 30 PRO HA H 30 4.327 4.406 -0.079 1
1 383 . 7 1 1 A 31 31 ALA N N 31 122.487 125.190 -2.703 1
1 384 . 7 1 1 A 31 31 ALA CA C 31 50.604 52.798 -2.194 1
1 385 . 7 1 1 A 31 31 ALA CB C 31 18.576 19.206 -0.630 1
1 386 . 7 1 1 A 31 31 ALA C C 31 177.222 177.819 -0.597 1
1 387 . 7 1 1 A 31 31 ALA H H 31 8.128 8.403 -0.275 1
1 388 . 7 1 1 A 31 31 ALA HA H 31 4.130 4.394 -0.264 1
1 392 . 7 1 1 A 32 32 LEU N N 32 124.400 123.371 1.029 1
1 393 . 7 1 1 A 32 32 LEU CA C 32 55.041 53.877 1.164 1
1 394 . 7 1 1 A 32 32 LEU CB C 32 42.916 41.922 0.994 1
1 398 . 7 1 1 A 32 32 LEU C C 32 176.852 175.237 1.615 1
1 399 . 7 1 1 A 32 32 LEU H H 32 8.035 8.486 -0.451 1
1 400 . 7 1 1 A 32 32 LEU HA H 32 4.240 4.671 -0.431 1
1 410 . 7 1 1 A 33 33 ASP N N 33 119.800 120.112 -0.312 1
1 411 . 7 1 1 A 33 33 ASP CA C 33 52.948 53.194 -0.246 1
1 412 . 7 1 1 A 33 33 ASP CB C 33 41.578 44.869 -3.291 1
1 413 . 7 1 1 A 33 33 ASP C C 33 176.200 174.047 2.153 1
1 414 . 7 1 1 A 33 33 ASP H H 33 8.400 7.517 0.883 1
1 415 . 7 1 1 A 33 33 ASP HA H 33 4.785 5.130 -0.345 1
1 418 . 7 1 1 A 34 34 MET N N 34 120.000 123.090 -3.090 1
1 419 . 7 1 1 A 34 34 MET CA C 34 56.561 54.569 1.992 1
1 420 . 7 1 1 A 34 34 MET CB C 34 31.288 31.076 0.212 1
1 422 . 7 1 1 A 34 34 MET C C 34 176.483 176.569 -0.086 1
1 423 . 7 1 1 A 34 34 MET H H 34 8.492 8.850 -0.358 1
1 424 . 7 1 1 A 34 34 MET HA H 34 4.213 4.515 -0.302 1
1 429 . 7 1 1 A 35 35 GLY N N 35 110.400 109.565 0.835 1
1 430 . 7 1 1 A 35 35 GLY CA C 35 44.884 45.357 -0.473 1
1 431 . 7 1 1 A 35 35 GLY C C 35 174.831 175.051 -0.220 1
1 432 . 7 1 1 A 35 35 GLY H H 35 8.668 8.318 0.350 1
1 433 . 7 1 1 A 35 35 GLY HA3 H 35 4.039 4.107 -0.068 1
1 434 . 7 1 1 A 35 35 GLY HA2 H 35 3.818 4.099 -0.281 1
1 435 . 7 1 1 A 36 36 GLY N N 36 107.400 109.685 -2.285 1
1 436 . 7 1 1 A 36 36 GLY CA C 36 45.427 46.867 -1.440 1
1 437 . 7 1 1 A 36 36 GLY C C 36 173.194 173.599 -0.405 1
1 438 . 7 1 1 A 36 36 GLY H H 36 8.008 7.655 0.353 1
1 439 . 7 1 1 A 36 36 GLY HA3 H 36 4.000 3.932 0.068 1
1 440 . 7 1 1 A 36 36 GLY HA2 H 36 3.861 3.931 -0.070 1
1 441 . 7 1 1 A 37 37 THR N N 37 111.100 109.947 1.153 1
1 442 . 7 1 1 A 37 37 THR CA C 37 59.954 59.627 0.327 1
1 443 . 7 1 1 A 37 37 THR CB C 37 70.589 72.773 -2.184 1
1 445 . 7 1 1 A 37 37 THR C C 37 171.355 172.904 -1.549 1
1 446 . 7 1 1 A 37 37 THR H H 37 7.476 7.513 -0.037 1
1 447 . 7 1 1 A 37 37 THR HA H 37 4.511 5.042 -0.531 1
1 450 . 7 1 1 A 38 38 SER N N 38 115.811 116.939 -1.128 1
1 451 . 7 1 1 A 38 38 SER CA C 38 57.664 56.531 1.133 1
1 452 . 7 1 1 A 38 38 SER CB C 38 70.510 66.633 3.877 1
1 453 . 7 1 1 A 38 38 SER C C 38 170.198 173.019 -2.821 1
1 454 . 7 1 1 A 38 38 SER H H 38 7.257 9.101 -1.844 1
1 455 . 7 1 1 A 38 38 SER HA H 38 4.707 5.650 -0.943 1
1 458 . 7 1 1 A 39 39 ASP N N 39 121.288 124.312 -3.024 1
1 459 . 7 1 1 A 39 39 ASP CA C 39 51.058 51.704 -0.646 1
1 460 . 7 1 1 A 39 39 ASP CB C 39 42.210 41.986 0.224 1
1 461 . 7 1 1 A 39 39 ASP C C 39 172.500 173.606 -1.106 1
1 462 . 7 1 1 A 39 39 ASP H H 39 8.698 9.028 -0.330 1
1 463 . 7 1 1 A 39 39 ASP HA H 39 5.940 6.286 -0.346 1
1 466 . 7 1 1 A 40 40 PRO CA C 40 62.440 62.556 -0.116 1
1 467 . 7 1 1 A 40 40 PRO CB C 40 34.370 32.817 1.553 1
1 470 . 7 1 1 A 40 40 PRO C C 40 176.317 176.197 0.120 1
1 471 . 7 1 1 A 40 40 PRO HA H 40 5.826 5.069 0.757 1
1 478 . 7 1 1 A 41 41 TYR N N 41 113.769 118.071 -4.302 1
1 479 . 7 1 1 A 41 41 TYR CA C 41 56.150 56.901 -0.751 1
1 480 . 7 1 1 A 41 41 TYR CB C 41 40.246 40.906 -0.660 1
1 481 . 7 1 1 A 41 41 TYR C C 41 171.425 172.529 -1.104 1
1 482 . 7 1 1 A 41 41 TYR H H 41 8.703 8.848 -0.145 1
1 483 . 7 1 1 A 41 41 TYR HA H 41 4.795 5.140 -0.345 1
1 487 . 7 1 1 A 42 42 VAL N N 42 119.919 122.920 -3.001 1
1 488 . 7 1 1 A 42 42 VAL CA C 42 60.064 62.178 -2.114 1
1 489 . 7 1 1 A 42 42 VAL CB C 42 33.816 32.446 1.370 1
1 492 . 7 1 1 A 42 42 VAL C C 42 174.456 175.389 -0.933 1
1 493 . 7 1 1 A 42 42 VAL HA H 42 5.020 4.385 0.635 1
1 501 . 7 1 1 A 43 43 LYS N N 43 125.776 127.294 -1.518 1
1 502 . 7 1 1 A 43 43 LYS CA C 43 54.601 55.970 -1.369 1
1 503 . 7 1 1 A 43 43 LYS CB C 43 36.096 32.739 3.357 1
1 507 . 7 1 1 A 43 43 LYS C C 43 174.518 175.218 -0.700 1
1 508 . 7 1 1 A 43 43 LYS H H 43 9.415 9.403 0.012 1
1 509 . 7 1 1 A 43 43 LYS HA H 43 5.374 4.526 0.848 1
1 518 . 7 1 1 A 44 44 VAL N N 44 121.484 123.443 -1.959 1
1 519 . 7 1 1 A 44 44 VAL CA C 44 59.365 60.627 -1.262 1
1 520 . 7 1 1 A 44 44 VAL CB C 44 34.818 32.790 2.028 1
1 523 . 7 1 1 A 44 44 VAL C C 44 173.928 174.444 -0.516 1
1 524 . 7 1 1 A 44 44 VAL H H 44 8.845 8.310 0.535 1
1 525 . 7 1 1 A 44 44 VAL HA H 44 5.326 4.440 0.886 1
1 533 . 7 1 1 A 45 45 PHE N N 45 120.600 124.702 -4.102 1
1 534 . 7 1 1 A 45 45 PHE CA C 45 55.886 55.936 -0.050 1
1 535 . 7 1 1 A 45 45 PHE CB C 45 39.882 43.821 -3.939 1
1 536 . 7 1 1 A 45 45 PHE C C 45 171.102 174.489 -3.387 1
1 537 . 7 1 1 A 45 45 PHE H H 45 8.254 8.313 -0.059 1
1 538 . 7 1 1 A 45 45 PHE HA H 45 4.971 5.079 -0.108 1
1 541 . 7 1 1 A 46 46 LEU N N 46 121.444 121.823 -0.379 1
1 542 . 7 1 1 A 46 46 LEU CA C 46 52.376 53.739 -1.363 1
1 543 . 7 1 1 A 46 46 LEU CB C 46 43.229 45.157 -1.928 1
1 547 . 7 1 1 A 46 46 LEU C C 46 176.176 176.753 -0.577 1
1 548 . 7 1 1 A 46 46 LEU H H 46 9.137 8.973 0.164 1
1 549 . 7 1 1 A 46 46 LEU HA H 46 4.189 5.272 -1.083 1
1 559 . 7 1 1 A 47 47 LEU N N 47 123.900 121.517 2.383 1
1 560 . 7 1 1 A 47 47 LEU CA C 47 52.926 52.199 0.727 1
1 561 . 7 1 1 A 47 47 LEU CB C 47 41.010 42.434 -1.424 1
1 565 . 7 1 1 A 47 47 LEU C C 47 175.800 177.106 -1.306 1
1 566 . 7 1 1 A 47 47 LEU H H 47 8.945 8.635 0.310 1
1 567 . 7 1 1 A 47 47 LEU HA H 47 4.185 4.879 -0.694 1
1 577 . 7 1 1 A 48 48 PRO CA C 48 62.992 65.445 -2.453 1
1 578 . 7 1 1 A 48 48 PRO CB C 48 24.080 31.846 -7.766 1
1 581 . 7 1 1 A 48 48 PRO C C 48 176.188 177.714 -1.526 1
1 582 . 7 1 1 A 48 48 PRO HA H 48 4.474 4.276 0.198 1
1 588 . 7 1 1 A 49 49 ASP N N 49 113.800 116.537 -2.737 1
1 589 . 7 1 1 A 49 49 ASP CA C 49 55.199 56.832 -1.633 1
1 590 . 7 1 1 A 49 49 ASP CB C 49 40.158 41.545 -1.387 1
1 591 . 7 1 1 A 49 49 ASP C C 49 175.304 176.095 -0.791 1
1 592 . 7 1 1 A 49 49 ASP H H 49 8.467 8.889 -0.422 1
1 593 . 7 1 1 A 49 49 ASP HA H 49 4.576 4.465 0.111 1
1 596 . 7 1 1 A 50 50 LYS N N 50 120.081 119.115 0.966 1
1 597 . 7 1 1 A 50 50 LYS CA C 50 56.803 57.204 -0.401 1
1 598 . 7 1 1 A 50 50 LYS CB C 50 32.059 30.771 1.288 1
1 602 . 7 1 1 A 50 50 LYS H H 50 8.329 8.103 0.226 1
1 603 . 7 1 1 A 50 50 LYS HA H 50 3.949 4.050 -0.101 1
1 604 . 7 1 1 A 50 50 LYS C C 50 175.754 176.688 -0.934 1
1 613 . 7 1 1 A 51 51 LYS N N 51 117.896 117.713 0.183 1
1 614 . 7 1 1 A 51 51 LYS CA C 51 57.360 55.987 1.373 1
1 615 . 7 1 1 A 51 51 LYS CB C 51 32.230 32.551 -0.321 1
1 619 . 7 1 1 A 51 51 LYS H H 51 8.099 8.937 -0.838 1
1 620 . 7 1 1 A 51 51 LYS HA H 51 3.950 4.451 -0.501 1
1 621 . 7 1 1 A 51 51 LYS C C 51 176.619 175.469 1.150 1
1 630 . 7 1 1 A 52 52 LYS N N 52 120.200 117.966 2.234 1
1 631 . 7 1 1 A 52 52 LYS CA C 52 54.688 55.004 -0.316 1
1 632 . 7 1 1 A 52 52 LYS CB C 52 31.829 33.349 -1.520 1
1 636 . 7 1 1 A 52 52 LYS H H 52 7.447 7.581 -0.134 1
1 637 . 7 1 1 A 52 52 LYS HA H 52 4.259 4.634 -0.375 1
1 638 . 7 1 1 A 52 52 LYS C C 52 173.420 174.814 -1.394 1
1 647 . 7 1 1 A 53 53 LYS N N 53 123.119 126.421 -3.302 1
1 648 . 7 1 1 A 53 53 LYS CA C 53 53.698 55.581 -1.883 1
1 649 . 7 1 1 A 53 53 LYS CB C 53 41.592 33.198 8.394 1
1 653 . 7 1 1 A 53 53 LYS H H 53 7.810 8.919 -1.109 1
1 654 . 7 1 1 A 53 53 LYS HA H 53 5.004 4.762 0.242 1
1 655 . 7 1 1 A 53 53 LYS C C 53 174.468 175.457 -0.989 1
1 664 . 7 1 1 A 54 54 PHE N N 54 120.200 128.413 -8.213 1
1 665 . 7 1 1 A 54 54 PHE CA C 54 56.583 56.688 -0.105 1
1 666 . 7 1 1 A 54 54 PHE CB C 54 42.110 42.204 -0.094 1
1 667 . 7 1 1 A 54 54 PHE C C 54 173.801 174.218 -0.417 1
1 668 . 7 1 1 A 54 54 PHE H H 54 8.490 8.426 0.064 1
1 669 . 7 1 1 A 54 54 PHE HA H 54 4.680 5.065 -0.385 1
1 672 . 7 1 1 A 55 55 GLU N N 55 117.600 123.374 -5.774 1
1 673 . 7 1 1 A 55 55 GLU CA C 55 53.537 55.519 -1.982 1
1 674 . 7 1 1 A 55 55 GLU CB C 55 33.241 33.287 -0.046 1
1 676 . 7 1 1 A 55 55 GLU C C 55 176.694 175.258 1.436 1
1 677 . 7 1 1 A 55 55 GLU H H 55 8.309 8.606 -0.297 1
1 678 . 7 1 1 A 55 55 GLU HA H 55 5.690 4.771 0.919 1
1 683 . 7 1 1 A 56 56 THR N N 56 111.700 118.330 -6.630 1
1 684 . 7 1 1 A 56 56 THR CA C 56 60.989 61.476 -0.487 1
1 685 . 7 1 1 A 56 56 THR CB C 56 71.860 70.002 1.858 1
1 687 . 7 1 1 A 56 56 THR C C 56 174.385 174.078 0.307 1
1 688 . 7 1 1 A 56 56 THR H H 56 8.775 8.363 0.412 1
1 689 . 7 1 1 A 56 56 THR HA H 56 4.838 4.475 0.363 1
1 692 . 7 1 1 A 57 57 LYS N N 57 119.500 122.848 -3.348 1
1 693 . 7 1 1 A 57 57 LYS CA C 57 56.775 55.959 0.816 1
1 694 . 7 1 1 A 57 57 LYS CB C 57 32.743 32.863 -0.120 1
1 698 . 7 1 1 A 57 57 LYS H H 57 9.787 7.441 2.346 1
1 699 . 7 1 1 A 57 57 LYS HA H 57 4.151 4.086 0.065 1
1 700 . 7 1 1 A 57 57 LYS C C 57 177.417 175.743 1.674 1
1 709 . 7 1 1 A 58 58 VAL N N 58 123.100 121.369 1.731 1
1 710 . 7 1 1 A 58 58 VAL CA C 58 61.870 61.584 0.286 1
1 711 . 7 1 1 A 58 58 VAL CB C 58 32.081 32.436 -0.355 1
1 714 . 7 1 1 A 58 58 VAL C C 58 176.850 175.315 1.535 1
1 715 . 7 1 1 A 58 58 VAL H H 58 8.120 8.244 -0.124 1
1 716 . 7 1 1 A 58 58 VAL HA H 58 4.284 4.051 0.233 1
1 724 . 7 1 1 A 59 59 HIS N N 59 128.800 124.889 3.911 1
1 725 . 7 1 1 A 59 59 HIS CA C 59 54.311 54.899 -0.588 1
1 726 . 7 1 1 A 59 59 HIS CB C 59 30.426 29.298 1.128 1
1 727 . 7 1 1 A 59 59 HIS C C 59 172.101 175.111 -3.010 1
1 728 . 7 1 1 A 59 59 HIS H H 59 8.550 8.647 -0.097 1
1 729 . 7 1 1 A 59 59 HIS HA H 59 4.457 4.986 -0.529 1
1 732 . 7 1 1 A 60 60 ARG N N 60 118.700 123.881 -5.181 1
1 733 . 7 1 1 A 60 60 ARG CA C 60 55.702 56.376 -0.674 1
1 734 . 7 1 1 A 60 60 ARG CB C 60 30.713 30.188 0.525 1
1 737 . 7 1 1 A 60 60 ARG C C 60 176.252 176.020 0.232 1
1 738 . 7 1 1 A 60 60 ARG H H 60 8.211 8.664 -0.453 1
1 739 . 7 1 1 A 60 60 ARG HA H 60 4.389 4.947 -0.558 1
1 746 . 7 1 1 A 61 61 LYS N N 61 122.500 117.990 4.510 1
1 747 . 7 1 1 A 61 61 LYS CA C 61 55.977 57.146 -1.169 1
1 748 . 7 1 1 A 61 61 LYS CB C 61 29.711 29.540 0.171 1
1 752 . 7 1 1 A 61 61 LYS H H 61 9.608 8.791 0.817 1
1 753 . 7 1 1 A 61 61 LYS HA H 61 3.946 4.049 -0.103 1
1 754 . 7 1 1 A 61 61 LYS C C 61 175.083 175.044 0.039 1
1 763 . 7 1 1 A 62 62 THR N N 62 113.400 108.952 4.448 1
1 764 . 7 1 1 A 62 62 THR CA C 62 59.755 60.250 -0.495 1
1 765 . 7 1 1 A 62 62 THR CB C 62 63.417 71.805 -8.388 1
1 767 . 7 1 1 A 62 62 THR C C 62 170.120 174.292 -4.172 1
1 768 . 7 1 1 A 62 62 THR H H 62 8.470 7.879 0.591 1
1 769 . 7 1 1 A 62 62 THR HA H 62 4.703 4.847 -0.144 1
1 772 . 7 1 1 A 63 63 LEU N N 63 123.100 124.144 -1.044 1
1 773 . 7 1 1 A 63 63 LEU CA C 63 52.833 56.040 -3.207 1
1 774 . 7 1 1 A 63 63 LEU CB C 63 40.311 42.108 -1.797 1
1 778 . 7 1 1 A 63 63 LEU C C 63 175.135 176.729 -1.594 1
1 779 . 7 1 1 A 63 63 LEU H H 63 8.257 8.716 -0.459 1
1 780 . 7 1 1 A 63 63 LEU HA H 63 4.483 4.250 0.233 1
1 790 . 7 1 1 A 64 64 ASN N N 64 114.829 118.232 -3.403 1
1 792 . 7 1 1 A 64 64 ASN CA C 64 50.610 50.495 0.115 1
1 793 . 7 1 1 A 64 64 ASN CB C 64 40.550 38.896 1.654 1
1 794 . 7 1 1 A 64 64 ASN C C 64 171.500 172.890 -1.390 1
1 795 . 7 1 1 A 64 64 ASN H H 64 8.306 7.956 0.350 1
1 796 . 7 1 1 A 64 64 ASN HA H 64 5.450 5.189 0.261 1
1 801 . 7 1 1 A 65 65 PRO CA C 65 61.914 62.042 -0.128 1
1 802 . 7 1 1 A 65 65 PRO CB C 65 30.780 32.356 -1.576 1
1 805 . 7 1 1 A 65 65 PRO C C 65 173.852 175.203 -1.351 1
1 806 . 7 1 1 A 65 65 PRO HA H 65 3.970 4.820 -0.850 1
1 813 . 7 1 1 A 66 66 VAL N N 66 121.000 121.930 -0.930 1
1 814 . 7 1 1 A 66 66 VAL CA C 66 61.782 60.303 1.479 1
1 815 . 7 1 1 A 66 66 VAL CB C 66 32.721 34.127 -1.406 1
1 818 . 7 1 1 A 66 66 VAL C C 66 175.152 175.725 -0.573 1
1 819 . 7 1 1 A 66 66 VAL H H 66 7.926 8.345 -0.419 1
1 820 . 7 1 1 A 66 66 VAL HA H 66 3.807 4.360 -0.553 1
1 828 . 7 1 1 A 67 67 PHE N N 67 123.400 129.299 -5.899 1
1 829 . 7 1 1 A 67 67 PHE CA C 67 59.262 60.277 -1.015 1
1 830 . 7 1 1 A 67 67 PHE CB C 67 39.849 40.162 -0.313 1
1 831 . 7 1 1 A 67 67 PHE C C 67 175.748 175.675 0.073 1
1 832 . 7 1 1 A 67 67 PHE H H 67 8.150 8.962 -0.812 1
1 833 . 7 1 1 A 67 67 PHE HA H 67 4.378 4.383 -0.005 1
1 836 . 7 1 1 A 68 68 ASN N N 68 117.500 116.903 0.597 1
1 837 . 7 1 1 A 68 68 ASN CA C 68 53.983 53.842 0.141 1
1 838 . 7 1 1 A 68 68 ASN CB C 68 37.351 35.933 1.418 1
1 839 . 7 1 1 A 68 68 ASN C C 68 173.314 174.986 -1.672 1
1 840 . 7 1 1 A 68 68 ASN H H 68 8.920 8.866 0.054 1
1 841 . 7 1 1 A 68 68 ASN HA H 68 4.350 4.921 -0.571 1
1 847 . 7 1 1 A 69 69 GLU N N 69 116.000 121.170 -5.170 1
1 848 . 7 1 1 A 69 69 GLU CA C 69 55.742 54.945 0.797 1
1 849 . 7 1 1 A 69 69 GLU CB C 69 34.663 32.475 2.188 1
1 851 . 7 1 1 A 69 69 GLU C C 69 174.165 174.809 -0.644 1
1 852 . 7 1 1 A 69 69 GLU H H 69 7.931 7.906 0.025 1
1 853 . 7 1 1 A 69 69 GLU HA H 69 4.638 5.032 -0.394 1
1 858 . 7 1 1 A 70 70 GLN N N 70 121.500 126.328 -4.828 1
1 860 . 7 1 1 A 70 70 GLN CA C 70 53.807 55.334 -1.527 1
1 861 . 7 1 1 A 70 70 GLN CB C 70 31.750 29.459 2.291 1
1 863 . 7 1 1 A 70 70 GLN C C 70 173.068 175.279 -2.211 1
1 864 . 7 1 1 A 70 70 GLN H H 70 8.174 8.862 -0.688 1
1 865 . 7 1 1 A 70 70 GLN HA H 70 4.985 4.486 0.499 1
1 872 . 7 1 1 A 71 71 PHE N N 71 124.300 122.785 1.515 1
1 873 . 7 1 1 A 71 71 PHE CA C 71 55.249 56.027 -0.778 1
1 874 . 7 1 1 A 71 71 PHE CB C 71 42.133 38.649 3.484 1
1 875 . 7 1 1 A 71 71 PHE C C 71 173.570 174.958 -1.388 1
1 876 . 7 1 1 A 71 71 PHE H H 71 9.040 8.473 0.567 1
1 877 . 7 1 1 A 71 71 PHE HA H 71 4.528 3.725 0.803 1
1 880 . 7 1 1 A 72 72 THR N N 72 114.000 119.613 -5.613 1
1 881 . 7 1 1 A 72 72 THR CA C 72 59.491 63.350 -3.859 1
1 882 . 7 1 1 A 72 72 THR CB C 72 70.623 69.702 0.921 1
1 884 . 7 1 1 A 72 72 THR C C 72 172.834 174.659 -1.825 1
1 885 . 7 1 1 A 72 72 THR H H 72 7.763 8.861 -1.098 1
1 886 . 7 1 1 A 72 72 THR HA H 72 5.212 4.889 0.323 1
1 889 . 7 1 1 A 73 73 PHE N N 73 120.900 126.404 -5.504 1
1 890 . 7 1 1 A 73 73 PHE CA C 73 56.071 56.212 -0.141 1
1 891 . 7 1 1 A 73 73 PHE CB C 73 41.570 41.019 0.551 1
1 892 . 7 1 1 A 73 73 PHE C C 73 174.890 174.705 0.185 1
1 893 . 7 1 1 A 73 73 PHE H H 73 8.983 9.746 -0.763 1
1 894 . 7 1 1 A 73 73 PHE HA H 73 4.750 5.216 -0.466 1
1 897 . 7 1 1 A 74 74 LYS N N 74 127.500 125.385 2.115 1
1 898 . 7 1 1 A 74 74 LYS CA C 74 56.186 55.536 0.650 1
1 899 . 7 1 1 A 74 74 LYS CB C 74 30.577 30.874 -0.297 1
1 903 . 7 1 1 A 74 74 LYS C C 74 174.575 175.469 -0.894 1
1 904 . 7 1 1 A 74 74 LYS H H 74 9.063 8.812 0.251 1
1 905 . 7 1 1 A 74 74 LYS HA H 74 4.690 4.458 0.232 1
1 914 . 7 1 1 A 75 75 VAL N N 75 126.600 124.110 2.490 1
1 915 . 7 1 1 A 75 75 VAL CA C 75 57.737 58.461 -0.724 1
1 916 . 7 1 1 A 75 75 VAL CB C 75 35.160 35.213 -0.053 1
1 919 . 7 1 1 A 75 75 VAL C C 75 171.500 173.889 -2.389 1
1 920 . 7 1 1 A 75 75 VAL H H 75 7.546 8.330 -0.784 1
1 921 . 7 1 1 A 75 75 VAL HA H 75 4.650 4.700 -0.050 1
1 929 . 7 1 1 A 76 76 PRO CA C 76 62.476 62.766 -0.290 1
1 930 . 7 1 1 A 76 76 PRO CB C 76 32.143 32.813 -0.670 1
1 933 . 7 1 1 A 76 76 PRO C C 76 176.991 177.242 -0.251 1
1 934 . 7 1 1 A 76 76 PRO HA H 76 4.329 4.732 -0.403 1
1 941 . 7 1 1 A 77 77 TYR N N 77 128.500 124.943 3.557 1
1 942 . 7 1 1 A 77 77 TYR CA C 77 61.772 60.642 1.130 1
1 943 . 7 1 1 A 77 77 TYR CB C 77 37.898 37.721 0.177 1
1 944 . 7 1 1 A 77 77 TYR C C 77 177.516 177.152 0.364 1
1 945 . 7 1 1 A 77 77 TYR H H 77 8.626 9.214 -0.588 1
1 946 . 7 1 1 A 77 77 TYR HA H 77 3.403 4.286 -0.883 1
1 950 . 7 1 1 A 78 78 SER N N 78 110.600 116.247 -5.647 1
1 951 . 7 1 1 A 78 78 SER H H 78 8.509 7.916 0.593 1
1 952 . 7 1 1 A 78 78 SER CA C 78 60.064 61.121 -1.057 1
1 953 . 7 1 1 A 78 78 SER CB C 78 62.022 62.115 -0.093 1
1 954 . 7 1 1 A 78 78 SER C C 78 175.292 176.268 -0.976 1
1 955 . 7 1 1 A 78 78 SER HA H 78 3.940 3.997 -0.057 1
1 958 . 7 1 1 A 79 79 GLU N N 79 119.000 121.614 -2.614 1
1 959 . 7 1 1 A 79 79 GLU CA C 79 55.273 56.448 -1.175 1
1 960 . 7 1 1 A 79 79 GLU CB C 79 30.302 30.267 0.035 1
1 962 . 7 1 1 A 79 79 GLU C C 79 177.218 178.547 -1.329 1
1 963 . 7 1 1 A 79 79 GLU H H 79 7.411 7.763 -0.352 1
1 964 . 7 1 1 A 79 79 GLU HA H 79 4.280 4.293 -0.013 1
1 969 . 7 1 1 A 80 80 LEU N N 80 121.600 122.847 -1.247 1
1 970 . 7 1 1 A 80 80 LEU CA C 80 57.376 57.975 -0.599 1
1 971 . 7 1 1 A 80 80 LEU CB C 80 41.916 41.931 -0.015 1
1 975 . 7 1 1 A 80 80 LEU C C 80 177.098 178.418 -1.320 1
1 976 . 7 1 1 A 80 80 LEU H H 80 7.311 7.895 -0.584 1
1 977 . 7 1 1 A 80 80 LEU HA H 80 3.643 4.013 -0.370 1
1 987 . 7 1 1 A 81 81 GLY N N 81 102.900 106.526 -3.626 1
1 988 . 7 1 1 A 81 81 GLY CA C 81 46.638 47.428 -0.790 1
1 989 . 7 1 1 A 81 81 GLY C C 81 174.240 176.709 -2.469 1
1 990 . 7 1 1 A 81 81 GLY H H 81 7.860 7.831 0.029 1
1 991 . 7 1 1 A 81 81 GLY HA3 H 81 3.744 3.724 0.020 1
1 992 . 7 1 1 A 81 81 GLY HA2 H 81 3.434 3.719 -0.285 1
1 993 . 7 1 1 A 82 82 GLY N N 82 105.900 108.825 -2.925 1
1 994 . 7 1 1 A 82 82 GLY CA C 82 44.289 47.036 -2.747 1
1 995 . 7 1 1 A 82 82 GLY C C 82 174.591 174.713 -0.122 1
1 996 . 7 1 1 A 82 82 GLY H H 82 7.396 7.950 -0.554 1
1 997 . 7 1 1 A 82 82 GLY HA3 H 82 4.267 3.856 0.411 1
1 998 . 7 1 1 A 82 82 GLY HA2 H 82 3.760 3.849 -0.089 1
1 999 . 7 1 1 A 83 83 LYS N N 83 119.000 118.769 0.231 1
1 1000 . 7 1 1 A 83 83 LYS CA C 83 53.818 54.815 -0.997 1
1 1001 . 7 1 1 A 83 83 LYS CB C 83 33.814 33.841 -0.027 1
1 1005 . 7 1 1 A 83 83 LYS H H 83 7.888 7.208 0.680 1
1 1006 . 7 1 1 A 83 83 LYS HA H 83 4.366 4.728 -0.362 1
1 1007 . 7 1 1 A 83 83 LYS C C 83 176.518 175.499 1.019 1
1 1015 . 7 1 1 A 84 84 THR N N 84 118.500 116.593 1.907 1
1 1016 . 7 1 1 A 84 84 THR CA C 84 61.914 60.567 1.347 1
1 1017 . 7 1 1 A 84 84 THR CB C 84 71.340 71.538 -0.198 1
1 1019 . 7 1 1 A 84 84 THR C C 84 171.750 172.902 -1.152 1
1 1020 . 7 1 1 A 84 84 THR H H 84 8.248 8.802 -0.554 1
1 1021 . 7 1 1 A 84 84 THR HA H 84 4.638 5.123 -0.485 1
1 1024 . 7 1 1 A 85 85 LEU N N 85 130.500 130.104 0.396 1
1 1025 . 7 1 1 A 85 85 LEU CA C 85 53.982 54.246 -0.264 1
1 1026 . 7 1 1 A 85 85 LEU CB C 85 43.826 44.013 -0.187 1
1 1030 . 7 1 1 A 85 85 LEU C C 85 173.417 176.026 -2.609 1
1 1031 . 7 1 1 A 85 85 LEU H H 85 8.430 8.685 -0.255 1
1 1032 . 7 1 1 A 85 85 LEU HA H 85 4.417 4.909 -0.492 1
1 1042 . 7 1 1 A 86 86 VAL N N 86 127.723 119.627 8.096 1
1 1043 . 7 1 1 A 86 86 VAL CA C 86 61.206 59.967 1.239 1
1 1044 . 7 1 1 A 86 86 VAL CB C 86 31.856 34.471 -2.615 1
1 1047 . 7 1 1 A 86 86 VAL C C 86 173.599 174.212 -0.613 1
1 1048 . 7 1 1 A 86 86 VAL H H 86 8.771 8.871 -0.100 1
1 1049 . 7 1 1 A 86 86 VAL HA H 86 4.151 4.982 -0.831 1
1 1057 . 7 1 1 A 87 87 MET N N 87 122.600 125.201 -2.601 1
1 1058 . 7 1 1 A 87 87 MET CA C 87 53.654 54.254 -0.600 1
1 1059 . 7 1 1 A 87 87 MET CB C 87 31.288 35.962 -4.674 1
1 1061 . 7 1 1 A 87 87 MET C C 87 172.749 174.591 -1.842 1
1 1062 . 7 1 1 A 87 87 MET H H 87 7.503 9.034 -1.531 1
1 1063 . 7 1 1 A 87 87 MET HA H 87 4.706 5.111 -0.405 1
1 1068 . 7 1 1 A 88 88 ALA N N 88 124.200 126.787 -2.587 1
1 1069 . 7 1 1 A 88 88 ALA CA C 88 50.017 50.942 -0.925 1
1 1070 . 7 1 1 A 88 88 ALA CB C 88 23.107 20.892 2.215 1
1 1071 . 7 1 1 A 88 88 ALA C C 88 174.558 175.585 -1.027 1
1 1072 . 7 1 1 A 88 88 ALA H H 88 8.755 8.799 -0.044 1
1 1073 . 7 1 1 A 88 88 ALA HA H 88 4.948 5.066 -0.118 1
1 1077 . 7 1 1 A 89 89 VAL N N 89 122.900 125.810 -2.910 1
1 1078 . 7 1 1 A 89 89 VAL CA C 89 60.881 62.359 -1.478 1
1 1079 . 7 1 1 A 89 89 VAL CB C 89 31.541 32.114 -0.573 1
1 1082 . 7 1 1 A 89 89 VAL C C 89 173.707 174.298 -0.591 1
1 1083 . 7 1 1 A 89 89 VAL H H 89 8.813 8.546 0.267 1
1 1084 . 7 1 1 A 89 89 VAL HA H 89 4.652 4.637 0.015 1
1 1092 . 7 1 1 A 90 90 TYR N N 90 128.400 130.500 -2.100 1
1 1093 . 7 1 1 A 90 90 TYR CA C 90 56.230 56.014 0.216 1
1 1094 . 7 1 1 A 90 90 TYR CB C 90 43.211 41.795 1.416 1
1 1095 . 7 1 1 A 90 90 TYR C C 90 173.024 173.301 -0.277 1
1 1096 . 7 1 1 A 90 90 TYR H H 90 9.067 9.673 -0.606 1
1 1097 . 7 1 1 A 90 90 TYR HA H 90 4.766 5.209 -0.443 1
1 1101 . 7 1 1 A 91 91 ASP N N 91 116.300 129.272 -12.972 1
1 1102 . 7 1 1 A 91 91 ASP CA C 91 51.800 52.828 -1.028 1
1 1103 . 7 1 1 A 91 91 ASP CB C 91 42.265 42.304 -0.039 1
1 1104 . 7 1 1 A 91 91 ASP C C 91 175.823 174.899 0.924 1
1 1105 . 7 1 1 A 91 91 ASP H H 91 8.700 8.073 0.627 1
1 1106 . 7 1 1 A 91 91 ASP HA H 91 5.098 5.066 0.032 1
1 1109 . 7 1 1 A 92 92 PHE N N 92 128.100 128.024 0.076 1
1 1110 . 7 1 1 A 92 92 PHE CA C 92 58.830 56.078 2.752 1
1 1111 . 7 1 1 A 92 92 PHE CB C 92 31.850 38.670 -6.820 1
1 1112 . 7 1 1 A 92 92 PHE C C 92 173.437 175.200 -1.763 1
1 1113 . 7 1 1 A 92 92 PHE H H 92 9.540 8.978 0.562 1
1 1114 . 7 1 1 A 92 92 PHE HA H 92 4.480 3.993 0.487 1
1 1117 . 7 1 1 A 93 93 ASP N N 93 122.100 124.218 -2.118 1
1 1118 . 7 1 1 A 93 93 ASP CA C 93 53.701 52.887 0.814 1
1 1119 . 7 1 1 A 93 93 ASP CB C 93 41.736 40.048 1.688 1
1 1120 . 7 1 1 A 93 93 ASP C C 93 175.548 175.822 -0.274 1
1 1121 . 7 1 1 A 93 93 ASP H H 93 7.812 7.293 0.519 1
1 1122 . 7 1 1 A 93 93 ASP HA H 93 4.480 4.604 -0.124 1
1 1125 . 7 1 1 A 94 94 ARG N N 94 121.500 113.533 7.967 1
1 1126 . 7 1 1 A 94 94 ARG CA C 94 56.142 57.066 -0.924 1
1 1127 . 7 1 1 A 94 94 ARG CB C 94 30.173 27.516 2.657 1
1 1129 . 7 1 1 A 94 94 ARG C C 94 175.795 175.396 0.399 1
1 1130 . 7 1 1 A 94 94 ARG H H 94 8.264 7.203 1.061 1
1 1131 . 7 1 1 A 94 94 ARG HA H 94 4.000 3.428 0.572 1
1 1138 . 7 1 1 A 95 95 PHE N N 95 118.600 118.060 0.540 1
1 1139 . 7 1 1 A 95 95 PHE CA C 95 59.850 59.287 0.563 1
1 1140 . 7 1 1 A 95 95 PHE CB C 95 38.955 41.122 -2.167 1
1 1141 . 7 1 1 A 95 95 PHE C C 95 172.969 175.618 -2.649 1
1 1142 . 7 1 1 A 95 95 PHE H H 95 6.889 7.568 -0.679 1
1 1143 . 7 1 1 A 95 95 PHE HA H 95 4.373 4.636 -0.263 1
1 1146 . 7 1 1 A 96 96 SER N N 96 114.200 112.352 1.848 1
1 1147 . 7 1 1 A 96 96 SER H H 96 8.027 7.732 0.295 1
1 1148 . 7 1 1 A 96 96 SER CA C 96 57.596 57.740 -0.144 1
1 1149 . 7 1 1 A 96 96 SER CB C 96 63.494 65.673 -2.179 1
1 1150 . 7 1 1 A 96 96 SER C C 96 174.149 174.145 0.004 1
1 1151 . 7 1 1 A 96 96 SER HA H 96 4.220 4.619 -0.399 1
1 1154 . 7 1 1 A 97 97 LYS N N 97 121.600 120.543 1.057 1
1 1155 . 7 1 1 A 97 97 LYS CA C 97 58.206 56.171 2.035 1
1 1156 . 7 1 1 A 97 97 LYS CB C 97 31.860 32.866 -1.006 1
1 1159 . 7 1 1 A 97 97 LYS H H 97 8.264 8.523 -0.259 1
1 1160 . 7 1 1 A 97 97 LYS HA H 97 4.202 4.107 0.095 1
1 1161 . 7 1 1 A 97 97 LYS C C 97 175.599 176.685 -1.086 1
1 1170 . 7 1 1 A 98 98 HIS N N 98 119.000 122.719 -3.719 1
1 1171 . 7 1 1 A 98 98 HIS CA C 98 54.159 56.398 -2.239 1
1 1172 . 7 1 1 A 98 98 HIS CB C 98 30.040 29.737 0.303 1
1 1173 . 7 1 1 A 98 98 HIS C C 98 174.050 174.648 -0.598 1
1 1174 . 7 1 1 A 98 98 HIS H H 98 8.350 8.088 0.262 1
1 1175 . 7 1 1 A 98 98 HIS HA H 98 4.784 5.638 -0.854 1
1 1178 . 7 1 1 A 99 99 ASP N N 99 122.600 125.367 -2.767 1
1 1179 . 7 1 1 A 99 99 ASP CA C 99 53.806 53.447 0.359 1
1 1180 . 7 1 1 A 99 99 ASP CB C 99 41.074 42.122 -1.048 1
1 1181 . 7 1 1 A 99 99 ASP C C 99 174.346 175.925 -1.579 1
1 1182 . 7 1 1 A 99 99 ASP H H 99 8.812 8.782 0.030 1
1 1183 . 7 1 1 A 99 99 ASP HA H 99 4.781 4.867 -0.086 1
1 1186 . 7 1 1 A 100 100 ILE N N 100 122.400 126.470 -4.070 1
1 1187 . 7 1 1 A 100 100 ILE CA C 100 60.989 62.249 -1.260 1
1 1188 . 7 1 1 A 100 100 ILE CB C 100 38.823 37.816 1.007 1
1 1192 . 7 1 1 A 100 100 ILE C C 100 174.431 177.864 -3.433 1
1 1193 . 7 1 1 A 100 100 ILE H H 100 8.075 8.945 -0.870 1
1 1194 . 7 1 1 A 100 100 ILE HA H 100 3.405 4.277 -0.872 1
1 1204 . 7 1 1 A 101 101 ILE N N 101 127.400 123.969 3.431 1
1 1205 . 7 1 1 A 101 101 ILE CA C 101 63.380 63.044 0.336 1
1 1206 . 7 1 1 A 101 101 ILE CB C 101 38.058 38.292 -0.234 1
1 1210 . 7 1 1 A 101 101 ILE C C 101 175.859 176.223 -0.364 1
1 1211 . 7 1 1 A 101 101 ILE H H 101 9.219 8.543 0.676 1
1 1212 . 7 1 1 A 101 101 ILE HA H 101 3.869 4.115 -0.246 1
1 1219 . 7 1 1 A 102 102 GLY N N 102 101.500 109.560 -8.060 1
1 1220 . 7 1 1 A 102 102 GLY CA C 102 45.259 45.943 -0.684 1
1 1221 . 7 1 1 A 102 102 GLY C C 102 169.614 171.056 -1.442 1
1 1222 . 7 1 1 A 102 102 GLY H H 102 7.241 7.170 0.071 1
1 1223 . 7 1 1 A 102 102 GLY HA3 H 102 4.024 4.081 -0.057 1
1 1224 . 7 1 1 A 102 102 GLY HA2 H 102 3.811 4.077 -0.266 1
1 1225 . 7 1 1 A 103 103 GLU N N 103 117.100 116.961 0.139 1
1 1226 . 7 1 1 A 103 103 GLU CA C 103 54.229 54.986 -0.757 1
1 1227 . 7 1 1 A 103 103 GLU CB C 103 34.012 33.986 0.026 1
1 1229 . 7 1 1 A 103 103 GLU C C 103 173.993 174.031 -0.038 1
1 1230 . 7 1 1 A 103 103 GLU H H 103 9.499 9.726 -0.227 1
1 1231 . 7 1 1 A 103 103 GLU HA H 103 5.513 5.593 -0.080 1
1 1236 . 7 1 1 A 104 104 PHE N N 104 115.900 121.547 -5.647 1
1 1237 . 7 1 1 A 104 104 PHE CA C 104 58.037 56.744 1.293 1
1 1238 . 7 1 1 A 104 104 PHE CB C 104 41.030 42.807 -1.777 1
1 1239 . 7 1 1 A 104 104 PHE C C 104 171.749 172.992 -1.243 1
1 1240 . 7 1 1 A 104 104 PHE H H 104 8.525 9.017 -0.492 1
1 1241 . 7 1 1 A 104 104 PHE HA H 104 4.731 5.256 -0.525 1
1 1244 . 7 1 1 A 105 105 LYS N N 105 118.900 127.182 -8.282 1
1 1245 . 7 1 1 A 105 105 LYS CA C 105 53.771 54.488 -0.717 1
1 1246 . 7 1 1 A 105 105 LYS CB C 105 34.953 35.400 -0.447 1
1 1250 . 7 1 1 A 105 105 LYS H H 105 7.805 8.710 -0.905 1
1 1251 . 7 1 1 A 105 105 LYS HA H 105 5.188 4.998 0.190 1
1 1252 . 7 1 1 A 105 105 LYS C C 105 175.389 174.060 1.329 1
1 1261 . 7 1 1 A 106 106 VAL N N 106 121.400 124.876 -3.476 1
1 1262 . 7 1 1 A 106 106 VAL CA C 106 58.522 58.285 0.237 1
1 1263 . 7 1 1 A 106 106 VAL CB C 106 34.050 34.888 -0.838 1
1 1266 . 7 1 1 A 106 106 VAL C C 106 173.300 173.343 -0.043 1
1 1267 . 7 1 1 A 106 106 VAL H H 106 9.276 8.368 0.908 1
1 1268 . 7 1 1 A 106 106 VAL HA H 106 4.430 4.574 -0.144 1
1 1276 . 7 1 1 A 107 107 PRO CA C 107 62.265 62.812 -0.547 1
1 1277 . 7 1 1 A 107 107 PRO CB C 107 31.157 31.519 -0.362 1
1 1280 . 7 1 1 A 107 107 PRO C C 107 178.967 178.825 0.142 1
1 1281 . 7 1 1 A 107 107 PRO HA H 107 4.703 4.767 -0.064 1
1 1288 . 7 1 1 A 108 108 MET N N 108 126.300 125.593 0.707 1
1 1289 . 7 1 1 A 108 108 MET CA C 108 56.728 57.977 -1.249 1
1 1290 . 7 1 1 A 108 108 MET CB C 108 32.909 32.368 0.541 1
1 1292 . 7 1 1 A 108 108 MET C C 108 176.858 178.379 -1.521 1
1 1293 . 7 1 1 A 108 108 MET H H 108 8.716 8.450 0.266 1
1 1294 . 7 1 1 A 108 108 MET HA H 108 4.483 4.689 -0.206 1
1 1299 . 7 1 1 A 109 109 ASN N N 109 115.600 116.512 -0.912 1
1 1300 . 7 1 1 A 109 109 ASN CA C 109 53.983 55.627 -1.644 1
1 1301 . 7 1 1 A 109 109 ASN CB C 109 36.227 37.337 -1.110 1
1 1302 . 7 1 1 A 109 109 ASN C C 109 175.789 176.406 -0.617 1
1 1303 . 7 1 1 A 109 109 ASN H H 109 8.342 8.925 -0.583 1
1 1304 . 7 1 1 A 109 109 ASN HA H 109 4.564 4.435 0.129 1
1 1310 . 7 1 1 A 110 110 THR N N 110 107.600 108.647 -1.047 1
1 1311 . 7 1 1 A 110 110 THR CA C 110 61.115 62.830 -1.715 1
1 1312 . 7 1 1 A 110 110 THR CB C 110 62.929 69.680 -6.751 1
1 1314 . 7 1 1 A 110 110 THR C C 110 173.508 174.623 -1.115 1
1 1315 . 7 1 1 A 110 110 THR H H 110 7.522 7.455 0.067 1
1 1316 . 7 1 1 A 110 110 THR HA H 110 4.461 4.400 0.061 1
1 1319 . 7 1 1 A 111 111 VAL N N 111 123.700 122.559 1.141 1
1 1320 . 7 1 1 A 111 111 VAL CA C 111 61.782 61.356 0.426 1
1 1321 . 7 1 1 A 111 111 VAL CB C 111 32.821 32.329 0.492 1
1 1324 . 7 1 1 A 111 111 VAL C C 111 173.903 174.103 -0.200 1
1 1325 . 7 1 1 A 111 111 VAL H H 111 6.960 7.495 -0.535 1
1 1326 . 7 1 1 A 111 111 VAL HA H 111 3.703 4.085 -0.382 1
1 1334 . 7 1 1 A 112 112 ASP N N 112 125.800 128.215 -2.415 1
1 1335 . 7 1 1 A 112 112 ASP CA C 112 51.777 54.105 -2.328 1
1 1336 . 7 1 1 A 112 112 ASP CB C 112 40.648 40.737 -0.089 1
1 1337 . 7 1 1 A 112 112 ASP C C 112 175.407 176.454 -1.047 1
1 1338 . 7 1 1 A 112 112 ASP H H 112 8.341 8.728 -0.387 1
1 1339 . 7 1 1 A 112 112 ASP HA H 112 4.719 4.602 0.117 1
1 1342 . 7 1 1 A 113 113 PHE N N 113 122.700 119.633 3.067 1
1 1343 . 7 1 1 A 113 113 PHE CA C 113 59.887 56.169 3.718 1
1 1344 . 7 1 1 A 113 113 PHE CB C 113 37.999 38.680 -0.681 1
1 1345 . 7 1 1 A 113 113 PHE C C 113 175.854 176.716 -0.862 1
1 1346 . 7 1 1 A 113 113 PHE H H 113 8.391 7.373 1.018 1
1 1347 . 7 1 1 A 113 113 PHE HA H 113 4.670 5.551 -0.881 1
1 1350 . 7 1 1 A 114 114 GLY N N 114 108.608 109.170 -0.562 1
1 1351 . 7 1 1 A 114 114 GLY CA C 114 45.657 47.466 -1.809 1
1 1352 . 7 1 1 A 114 114 GLY C C 114 172.963 174.852 -1.889 1
1 1353 . 7 1 1 A 114 114 GLY H H 114 8.953 8.886 0.067 1
1 1354 . 7 1 1 A 114 114 GLY HA3 H 114 4.018 3.911 0.107 1
1 1355 . 7 1 1 A 114 114 GLY HA2 H 114 3.912 3.887 0.025 1
1 1356 . 7 1 1 A 115 115 HIS N N 115 114.926 120.971 -6.045 1
1 1357 . 7 1 1 A 115 115 HIS CA C 115 53.533 54.209 -0.676 1
1 1358 . 7 1 1 A 115 115 HIS CB C 115 30.349 30.588 -0.239 1
1 1359 . 7 1 1 A 115 115 HIS C C 115 172.453 173.579 -1.126 1
1 1360 . 7 1 1 A 115 115 HIS H H 115 7.510 8.058 -0.548 1
1 1361 . 7 1 1 A 115 115 HIS HA H 115 4.868 4.839 0.029 1
1 1364 . 7 1 1 A 116 116 VAL N N 116 122.100 118.574 3.526 1
1 1365 . 7 1 1 A 116 116 VAL CA C 116 62.992 60.116 2.876 1
1 1366 . 7 1 1 A 116 116 VAL CB C 116 31.850 33.639 -1.789 1
1 1369 . 7 1 1 A 116 116 VAL C C 116 176.352 174.088 2.264 1
1 1370 . 7 1 1 A 116 116 VAL H H 116 8.460 8.069 0.391 1
1 1371 . 7 1 1 A 116 116 VAL HA H 116 4.268 4.716 -0.448 1
1 1379 . 7 1 1 A 117 117 THR N N 117 124.700 122.652 2.048 1
1 1380 . 7 1 1 A 117 117 THR CA C 117 61.694 61.561 0.133 1
1 1381 . 7 1 1 A 117 117 THR CB C 117 70.001 70.081 -0.080 1
1 1383 . 7 1 1 A 117 117 THR C C 117 172.762 173.694 -0.932 1
1 1384 . 7 1 1 A 117 117 THR H H 117 8.550 8.963 -0.413 1
1 1385 . 7 1 1 A 117 117 THR HA H 117 4.460 4.829 -0.369 1
1 1388 . 7 1 1 A 118 118 GLU N N 118 126.000 126.067 -0.067 1
1 1389 . 7 1 1 A 118 118 GLU CA C 118 55.038 55.305 -0.267 1
1 1390 . 7 1 1 A 118 118 GLU CB C 118 30.835 30.563 0.272 1
1 1392 . 7 1 1 A 118 118 GLU C C 118 174.419 175.564 -1.145 1
1 1393 . 7 1 1 A 118 118 GLU H H 118 8.382 8.627 -0.245 1
1 1394 . 7 1 1 A 118 118 GLU HA H 118 4.776 4.784 -0.008 1
1 1399 . 7 1 1 A 119 119 GLU N N 119 123.000 121.106 1.894 1
1 1400 . 7 1 1 A 119 119 GLU CA C 119 54.292 54.844 -0.552 1
1 1401 . 7 1 1 A 119 119 GLU CB C 119 32.909 33.442 -0.533 1
1 1403 . 7 1 1 A 119 119 GLU C C 119 173.072 174.544 -1.472 1
1 1404 . 7 1 1 A 119 119 GLU H H 119 8.057 8.981 -0.924 1
1 1405 . 7 1 1 A 119 119 GLU HA H 119 4.631 4.572 0.059 1
1 1410 . 7 1 1 A 120 120 TRP N N 120 118.300 122.131 -3.831 1
1 1411 . 7 1 1 A 120 120 TRP C C 120 177.336 175.220 2.116 1
1 1412 . 7 1 1 A 120 120 TRP CA C 120 55.672 56.692 -1.020 1
1 1413 . 7 1 1 A 120 120 TRP CB C 120 31.259 29.905 1.354 1
1 1414 . 7 1 1 A 120 120 TRP H H 120 8.212 8.506 -0.294 1
1 1415 . 7 1 1 A 120 120 TRP HA H 120 5.322 5.139 0.183 1
1 1424 . 7 1 1 A 121 121 ARG N N 121 120.900 126.367 -5.467 1
1 1425 . 7 1 1 A 121 121 ARG CA C 121 53.631 53.699 -0.068 1
1 1426 . 7 1 1 A 121 121 ARG CB C 121 32.865 33.706 -0.841 1
1 1429 . 7 1 1 A 121 121 ARG C C 121 174.321 175.198 -0.877 1
1 1430 . 7 1 1 A 121 121 ARG H H 121 9.012 9.025 -0.013 1
1 1431 . 7 1 1 A 121 121 ARG HA H 121 4.488 4.981 -0.493 1
1 1438 . 7 1 1 A 122 122 ASP N N 122 121.600 123.879 -2.279 1
1 1439 . 7 1 1 A 122 122 ASP CA C 122 53.795 52.921 0.874 1
1 1440 . 7 1 1 A 122 122 ASP CB C 122 40.544 42.105 -1.561 1
1 1441 . 7 1 1 A 122 122 ASP C C 122 176.041 174.915 1.126 1
1 1442 . 7 1 1 A 122 122 ASP H H 122 8.226 8.820 -0.594 1
1 1443 . 7 1 1 A 122 122 ASP HA H 122 4.791 5.340 -0.549 1
1 1446 . 7 1 1 A 123 123 LEU N N 123 120.700 126.024 -5.324 1
1 1447 . 7 1 1 A 123 123 LEU CA C 123 54.997 54.088 0.909 1
1 1448 . 7 1 1 A 123 123 LEU CB C 123 41.765 43.148 -1.383 1
1 1452 . 7 1 1 A 123 123 LEU C C 123 175.964 176.278 -0.314 1
1 1453 . 7 1 1 A 123 123 LEU H H 123 8.436 8.798 -0.362 1
1 1454 . 7 1 1 A 123 123 LEU HA H 123 4.125 4.987 -0.862 1
1 1464 . 7 1 1 A 124 124 GLN N N 124 119.200 125.456 -6.256 1
1 1466 . 7 1 1 A 124 124 GLN CA C 124 53.278 55.022 -1.744 1
1 1467 . 7 1 1 A 124 124 GLN CB C 124 31.232 30.361 0.871 1
1 1469 . 7 1 1 A 124 124 GLN C C 124 175.183 175.167 0.016 1
1 1470 . 7 1 1 A 124 124 GLN H H 124 9.020 8.925 0.095 1
1 1471 . 7 1 1 A 124 124 GLN HA H 124 4.738 4.934 -0.196 1
1 1478 . 7 1 1 A 125 125 SER N N 125 115.300 118.316 -3.016 1
1 1479 . 7 1 1 A 125 125 SER H H 125 8.543 8.884 -0.341 1
1 1480 . 7 1 1 A 125 125 SER CA C 125 58.477 58.065 0.412 1
1 1481 . 7 1 1 A 125 125 SER CB C 125 63.274 63.319 -0.045 1
1 1482 . 7 1 1 A 125 125 SER C C 125 174.609 173.994 0.615 1
1 1483 . 7 1 1 A 125 125 SER HA H 125 4.235 4.786 -0.551 1
1 1486 . 7 1 1 A 126 126 ALA N N 126 126.900 129.841 -2.941 1
1 1487 . 7 1 1 A 126 126 ALA CA C 126 51.636 50.420 1.216 1
1 1488 . 7 1 1 A 126 126 ALA CB C 126 19.845 20.852 -1.007 1
1 1489 . 7 1 1 A 126 126 ALA C C 126 176.876 176.584 0.292 1
1 1490 . 7 1 1 A 126 126 ALA H H 126 8.640 8.839 -0.199 1
1 1491 . 7 1 1 A 126 126 ALA HA H 126 4.216 5.114 -0.898 1
1 1495 . 7 1 1 A 127 127 GLU N N 127 120.600 122.489 -1.889 1
1 1496 . 7 1 1 A 127 127 GLU CA C 127 56.142 55.233 0.909 1
1 1497 . 7 1 1 A 127 127 GLU CB C 127 29.996 29.178 0.818 1
1 1499 . 7 1 1 A 127 127 GLU C C 127 175.129 174.964 0.165 1
1 1500 . 7 1 1 A 127 127 GLU H H 127 8.204 8.681 -0.477 1
1 1501 . 7 1 1 A 127 127 GLU HA H 127 4.176 4.625 -0.449 1
1 12 . 8 1 1 A 2 2 LYS N N 2 123.200 120.361 2.839 1
1 13 . 8 1 1 A 2 2 LYS CA C 2 55.550 54.724 0.826 1
1 14 . 8 1 1 A 2 2 LYS CB C 2 31.730 35.122 -3.392 1
1 18 . 8 1 1 A 2 2 LYS H H 2 8.320 8.275 0.045 1
1 19 . 8 1 1 A 2 2 LYS C C 2 176.041 176.486 -0.445 1
1 20 . 8 1 1 A 2 2 LYS HA H 2 4.413 5.022 -0.609 1
1 29 . 8 1 1 A 3 3 LEU N N 3 124.700 126.263 -1.563 1
1 30 . 8 1 1 A 3 3 LEU CA C 3 53.800 56.439 -2.639 1
1 31 . 8 1 1 A 3 3 LEU CB C 3 43.351 42.916 0.435 1
1 35 . 8 1 1 A 3 3 LEU C C 3 173.289 177.348 -4.059 1
1 36 . 8 1 1 A 3 3 LEU H H 3 8.319 9.001 -0.682 1
1 37 . 8 1 1 A 3 3 LEU HA H 3 4.363 5.495 -1.132 1
1 47 . 8 1 1 A 4 4 GLY N N 4 102.100 106.874 -4.774 1
1 48 . 8 1 1 A 4 4 GLY CA C 4 44.232 45.134 -0.902 1
1 49 . 8 1 1 A 4 4 GLY C C 4 174.476 172.969 1.507 1
1 50 . 8 1 1 A 4 4 GLY H H 4 7.412 7.868 -0.456 1
1 51 . 8 1 1 A 4 4 GLY HA3 H 4 4.367 4.009 0.358 1
1 52 . 8 1 1 A 4 4 GLY HA2 H 4 3.662 4.006 -0.344 1
1 53 . 8 1 1 A 5 5 LYS N N 5 114.993 120.222 -5.229 1
1 54 . 8 1 1 A 5 5 LYS CA C 5 54.807 54.571 0.236 1
1 55 . 8 1 1 A 5 5 LYS CB C 5 36.664 36.625 0.039 1
1 59 . 8 1 1 A 5 5 LYS C C 5 173.762 174.658 -0.896 1
1 60 . 8 1 1 A 5 5 LYS H H 5 8.748 8.448 0.300 1
1 61 . 8 1 1 A 5 5 LYS HA H 5 5.333 5.182 0.151 1
1 70 . 8 1 1 A 6 6 LEU N N 6 122.195 124.181 -1.986 1
1 71 . 8 1 1 A 6 6 LEU CA C 6 53.760 53.978 -0.218 1
1 72 . 8 1 1 A 6 6 LEU CB C 6 47.948 44.642 3.306 1
1 76 . 8 1 1 A 6 6 LEU C C 6 172.524 175.058 -2.534 1
1 77 . 8 1 1 A 6 6 LEU H H 6 9.058 9.773 -0.715 1
1 78 . 8 1 1 A 6 6 LEU HA H 6 5.312 5.932 -0.620 1
1 88 . 8 1 1 A 7 7 GLN N N 7 127.800 125.680 2.120 1
1 90 . 8 1 1 A 7 7 GLN CA C 7 52.595 54.897 -2.302 1
1 91 . 8 1 1 A 7 7 GLN CB C 7 28.032 29.853 -1.821 1
1 93 . 8 1 1 A 7 7 GLN C C 7 173.707 174.464 -0.757 1
1 94 . 8 1 1 A 7 7 GLN H H 7 8.945 8.429 0.516 1
1 95 . 8 1 1 A 7 7 GLN HA H 7 5.170 5.287 -0.117 1
1 102 . 8 1 1 A 8 8 TYR N N 8 125.700 124.193 1.507 1
1 103 . 8 1 1 A 8 8 TYR CA C 8 54.578 57.535 -2.957 1
1 104 . 8 1 1 A 8 8 TYR CB C 8 42.236 40.507 1.729 1
1 105 . 8 1 1 A 8 8 TYR C C 8 171.582 174.006 -2.424 1
1 106 . 8 1 1 A 8 8 TYR H H 8 8.445 8.856 -0.411 1
1 107 . 8 1 1 A 8 8 TYR HA H 8 5.401 4.987 0.414 1
1 110 . 8 1 1 A 9 9 SER N N 9 113.300 115.192 -1.892 1
1 111 . 8 1 1 A 9 9 SER H H 9 9.486 8.174 1.312 1
1 112 . 8 1 1 A 9 9 SER CA C 9 55.195 56.441 -1.246 1
1 113 . 8 1 1 A 9 9 SER CB C 9 67.116 65.223 1.893 1
1 114 . 8 1 1 A 9 9 SER C C 9 173.486 173.241 0.245 1
1 115 . 8 1 1 A 9 9 SER HA H 9 5.400 5.451 -0.051 1
1 118 . 8 1 1 A 10 10 LEU N N 10 120.700 126.965 -6.265 1
1 119 . 8 1 1 A 10 10 LEU CA C 10 53.388 53.769 -0.381 1
1 120 . 8 1 1 A 10 10 LEU CB C 10 46.946 44.573 2.373 1
1 121 . 8 1 1 A 10 10 LEU C C 10 174.640 175.222 -0.582 1
1 125 . 8 1 1 A 10 10 LEU H H 10 8.698 9.749 -1.051 1
1 126 . 8 1 1 A 10 10 LEU HA H 10 5.471 5.253 0.218 1
1 136 . 8 1 1 A 11 11 ASP N N 11 119.760 123.787 -4.027 1
1 137 . 8 1 1 A 11 11 ASP CA C 11 52.525 52.903 -0.378 1
1 138 . 8 1 1 A 11 11 ASP CB C 11 44.683 45.495 -0.812 1
1 139 . 8 1 1 A 11 11 ASP C C 11 173.093 174.462 -1.369 1
1 140 . 8 1 1 A 11 11 ASP H H 11 8.673 8.999 -0.326 1
1 141 . 8 1 1 A 11 11 ASP HA H 11 5.126 5.634 -0.508 1
1 144 . 8 1 1 A 12 12 TYR N N 12 124.200 117.472 6.728 1
1 145 . 8 1 1 A 12 12 TYR CA C 12 57.883 55.678 2.205 1
1 146 . 8 1 1 A 12 12 TYR CB C 12 40.054 41.643 -1.589 1
1 147 . 8 1 1 A 12 12 TYR C C 12 171.962 172.368 -0.406 1
1 148 . 8 1 1 A 12 12 TYR H H 12 8.898 9.249 -0.351 1
1 149 . 8 1 1 A 12 12 TYR HA H 12 4.609 5.912 -1.303 1
1 154 . 8 1 1 A 13 13 ASP N N 13 126.400 125.398 1.002 1
1 155 . 8 1 1 A 13 13 ASP CA C 13 51.141 52.753 -1.612 1
1 156 . 8 1 1 A 13 13 ASP CB C 13 40.891 41.932 -1.041 1
1 157 . 8 1 1 A 13 13 ASP C C 13 175.599 176.475 -0.876 1
1 158 . 8 1 1 A 13 13 ASP H H 13 8.018 8.901 -0.883 1
1 159 . 8 1 1 A 13 13 ASP HA H 13 4.591 4.576 0.015 1
1 162 . 8 1 1 A 14 14 PHE N N 14 123.575 124.100 -0.525 1
1 163 . 8 1 1 A 14 14 PHE CA C 14 60.734 58.711 2.023 1
1 164 . 8 1 1 A 14 14 PHE CB C 14 38.821 38.613 0.208 1
1 165 . 8 1 1 A 14 14 PHE C C 14 176.704 176.050 0.654 1
1 166 . 8 1 1 A 14 14 PHE H H 14 8.540 7.934 0.606 1
1 167 . 8 1 1 A 14 14 PHE HA H 14 4.187 4.558 -0.371 1
1 170 . 8 1 1 A 15 15 GLN N N 15 118.500 117.003 1.497 1
1 172 . 8 1 1 A 15 15 GLN CA C 15 57.927 55.786 2.141 1
1 173 . 8 1 1 A 15 15 GLN CB C 15 28.129 27.833 0.296 1
1 175 . 8 1 1 A 15 15 GLN C C 15 176.646 176.607 0.039 1
1 176 . 8 1 1 A 15 15 GLN H H 15 8.307 7.118 1.189 1
1 177 . 8 1 1 A 15 15 GLN HA H 15 4.150 4.205 -0.055 1
1 184 . 8 1 1 A 16 16 ASN N N 16 113.392 116.870 -3.478 1
1 185 . 8 1 1 A 16 16 ASN CA C 16 52.051 51.890 0.161 1
1 186 . 8 1 1 A 16 16 ASN CB C 16 39.238 37.861 1.377 1
1 187 . 8 1 1 A 16 16 ASN C C 16 173.191 175.593 -2.402 1
1 188 . 8 1 1 A 16 16 ASN H H 16 7.347 7.701 -0.354 1
1 189 . 8 1 1 A 16 16 ASN HA H 16 4.682 4.677 0.005 1
1 195 . 8 1 1 A 17 17 ASN N N 17 118.200 116.575 1.625 1
1 196 . 8 1 1 A 17 17 ASN CA C 17 54.524 54.141 0.383 1
1 197 . 8 1 1 A 17 17 ASN CB C 17 36.825 37.204 -0.379 1
1 198 . 8 1 1 A 17 17 ASN C C 17 175.797 174.148 1.649 1
1 199 . 8 1 1 A 17 17 ASN H H 17 7.682 8.083 -0.401 1
1 200 . 8 1 1 A 17 17 ASN HA H 17 4.300 4.506 -0.206 1
1 206 . 8 1 1 A 18 18 GLN N N 18 110.518 115.193 -4.675 1
1 208 . 8 1 1 A 18 18 GLN CA C 18 52.888 54.087 -1.199 1
1 209 . 8 1 1 A 18 18 GLN CB C 18 31.353 31.867 -0.514 1
1 211 . 8 1 1 A 18 18 GLN C C 18 171.717 174.186 -2.469 1
1 212 . 8 1 1 A 18 18 GLN H H 18 6.757 7.857 -1.100 1
1 213 . 8 1 1 A 18 18 GLN HA H 18 4.911 5.095 -0.184 1
1 220 . 8 1 1 A 19 19 LEU N N 19 124.400 124.660 -0.260 1
1 221 . 8 1 1 A 19 19 LEU CA C 19 53.873 54.105 -0.232 1
1 222 . 8 1 1 A 19 19 LEU CB C 19 44.558 42.655 1.903 1
1 226 . 8 1 1 A 19 19 LEU C C 19 173.731 175.764 -2.033 1
1 227 . 8 1 1 A 19 19 LEU H H 19 9.048 8.480 0.568 1
1 228 . 8 1 1 A 19 19 LEU HA H 19 4.543 4.768 -0.225 1
1 238 . 8 1 1 A 20 20 LEU N N 20 128.415 126.346 2.069 1
1 239 . 8 1 1 A 20 20 LEU CA C 20 53.695 53.599 0.096 1
1 240 . 8 1 1 A 20 20 LEU CB C 20 41.956 46.157 -4.201 1
1 244 . 8 1 1 A 20 20 LEU C C 20 175.696 174.573 1.123 1
1 245 . 8 1 1 A 20 20 LEU H H 20 9.021 9.480 -0.459 1
1 246 . 8 1 1 A 20 20 LEU HA H 20 4.852 6.364 -1.512 1
1 256 . 8 1 1 A 21 21 VAL N N 21 125.838 126.698 -0.860 1
1 257 . 8 1 1 A 21 21 VAL CA C 21 60.511 61.377 -0.866 1
1 258 . 8 1 1 A 21 21 VAL CB C 21 45.331 32.749 12.582 1
1 260 . 8 1 1 A 21 21 VAL C C 21 173.979 174.998 -1.019 1
1 261 . 8 1 1 A 21 21 VAL H H 21 9.073 8.746 0.327 1
1 262 . 8 1 1 A 21 21 VAL HA H 21 4.853 4.620 0.233 1
1 270 . 8 1 1 A 22 22 GLY N N 22 117.254 113.847 3.407 1
1 271 . 8 1 1 A 22 22 GLY CA C 22 43.843 45.412 -1.569 1
1 272 . 8 1 1 A 22 22 GLY C C 22 172.485 174.112 -1.627 1
1 273 . 8 1 1 A 22 22 GLY H H 22 9.486 8.995 0.491 1
1 274 . 8 1 1 A 22 22 GLY HA3 H 22 4.653 4.122 0.531 1
1 275 . 8 1 1 A 22 22 GLY HA2 H 22 3.520 4.034 -0.514 1
1 276 . 8 1 1 A 23 23 ILE N N 23 125.106 122.574 2.532 1
1 277 . 8 1 1 A 23 23 ILE CA C 23 58.182 59.700 -1.518 1
1 278 . 8 1 1 A 23 23 ILE CB C 23 35.290 38.326 -3.036 1
1 282 . 8 1 1 A 23 23 ILE C C 23 174.346 175.832 -1.486 1
1 283 . 8 1 1 A 23 23 ILE H H 23 8.831 8.171 0.660 1
1 284 . 8 1 1 A 23 23 ILE HA H 23 4.330 4.838 -0.508 1
1 294 . 8 1 1 A 24 24 ILE N N 24 126.735 121.119 5.616 1
1 295 . 8 1 1 A 24 24 ILE CA C 24 65.005 62.615 2.390 1
1 296 . 8 1 1 A 24 24 ILE CB C 24 37.790 38.361 -0.571 1
1 300 . 8 1 1 A 24 24 ILE C C 24 177.149 176.164 0.985 1
1 301 . 8 1 1 A 24 24 ILE H H 24 8.365 8.445 -0.080 1
1 302 . 8 1 1 A 24 24 ILE HA H 24 3.903 4.098 -0.195 1
1 312 . 8 1 1 A 25 25 GLN N N 25 110.662 114.713 -4.051 1
1 314 . 8 1 1 A 25 25 GLN CA C 25 54.295 54.434 -0.139 1
1 315 . 8 1 1 A 25 25 GLN CB C 25 30.953 32.099 -1.146 1
1 317 . 8 1 1 A 25 25 GLN C C 25 171.152 173.439 -2.287 1
1 318 . 8 1 1 A 25 25 GLN H H 25 7.706 7.679 0.027 1
1 319 . 8 1 1 A 25 25 GLN HA H 25 5.123 4.713 0.410 1
1 325 . 8 1 1 A 26 26 ALA N N 26 121.300 123.313 -2.013 1
1 326 . 8 1 1 A 26 26 ALA CA C 26 49.951 50.254 -0.303 1
1 327 . 8 1 1 A 26 26 ALA CB C 26 22.406 22.150 0.256 1
1 328 . 8 1 1 A 26 26 ALA C C 26 171.937 176.011 -4.074 1
1 329 . 8 1 1 A 26 26 ALA H H 26 9.195 8.414 0.781 1
1 330 . 8 1 1 A 26 26 ALA HA H 26 5.740 5.561 0.179 1
1 334 . 8 1 1 A 27 27 ALA N N 27 120.100 121.761 -1.661 1
1 335 . 8 1 1 A 27 27 ALA CA C 27 50.524 50.730 -0.206 1
1 336 . 8 1 1 A 27 27 ALA CB C 27 24.047 21.565 2.482 1
1 337 . 8 1 1 A 27 27 ALA C C 27 174.984 176.831 -1.847 1
1 338 . 8 1 1 A 27 27 ALA H H 27 9.118 8.706 0.412 1
1 339 . 8 1 1 A 27 27 ALA HA H 27 5.353 4.808 0.545 1
1 343 . 8 1 1 A 28 28 GLU N N 28 112.600 119.263 -6.663 1
1 344 . 8 1 1 A 28 28 GLU CA C 28 56.032 57.403 -1.371 1
1 345 . 8 1 1 A 28 28 GLU CB C 28 25.966 27.603 -1.637 1
1 347 . 8 1 1 A 28 28 GLU C C 28 174.427 175.383 -0.956 1
1 348 . 8 1 1 A 28 28 GLU H H 28 8.453 8.668 -0.215 1
1 349 . 8 1 1 A 28 28 GLU HA H 28 3.648 3.834 -0.186 1
1 354 . 8 1 1 A 29 29 LEU N N 29 116.093 120.283 -4.190 1
1 355 . 8 1 1 A 29 29 LEU CA C 29 53.295 52.679 0.616 1
1 356 . 8 1 1 A 29 29 LEU CB C 29 39.640 41.575 -1.935 1
1 360 . 8 1 1 A 29 29 LEU C C 29 173.800 174.528 -0.728 1
1 361 . 8 1 1 A 29 29 LEU H H 29 7.951 7.802 0.149 1
1 362 . 8 1 1 A 29 29 LEU HA H 29 4.330 4.626 -0.296 1
1 372 . 8 1 1 A 30 30 PRO CA C 30 61.760 62.491 -0.731 1
1 373 . 8 1 1 A 30 30 PRO CB C 30 31.492 32.278 -0.786 1
1 376 . 8 1 1 A 30 30 PRO C C 30 175.525 176.473 -0.948 1
1 377 . 8 1 1 A 30 30 PRO HA H 30 4.327 4.503 -0.176 1
1 383 . 8 1 1 A 31 31 ALA N N 31 122.487 124.274 -1.787 1
1 384 . 8 1 1 A 31 31 ALA CA C 31 50.604 52.725 -2.121 1
1 385 . 8 1 1 A 31 31 ALA CB C 31 18.576 19.267 -0.691 1
1 386 . 8 1 1 A 31 31 ALA C C 31 177.222 177.675 -0.453 1
1 387 . 8 1 1 A 31 31 ALA H H 31 8.128 8.368 -0.240 1
1 388 . 8 1 1 A 31 31 ALA HA H 31 4.130 4.476 -0.346 1
1 392 . 8 1 1 A 32 32 LEU N N 32 124.400 123.544 0.856 1
1 393 . 8 1 1 A 32 32 LEU CA C 32 55.041 53.882 1.159 1
1 394 . 8 1 1 A 32 32 LEU CB C 32 42.916 42.250 0.666 1
1 398 . 8 1 1 A 32 32 LEU C C 32 176.852 175.061 1.791 1
1 399 . 8 1 1 A 32 32 LEU H H 32 8.035 8.902 -0.867 1
1 400 . 8 1 1 A 32 32 LEU HA H 32 4.240 4.716 -0.476 1
1 410 . 8 1 1 A 33 33 ASP N N 33 119.800 119.963 -0.163 1
1 411 . 8 1 1 A 33 33 ASP CA C 33 52.948 53.340 -0.392 1
1 412 . 8 1 1 A 33 33 ASP CB C 33 41.578 44.850 -3.272 1
1 413 . 8 1 1 A 33 33 ASP C C 33 176.200 174.476 1.724 1
1 414 . 8 1 1 A 33 33 ASP H H 33 8.400 7.509 0.891 1
1 415 . 8 1 1 A 33 33 ASP HA H 33 4.785 5.063 -0.278 1
1 418 . 8 1 1 A 34 34 MET N N 34 120.000 121.665 -1.665 1
1 419 . 8 1 1 A 34 34 MET CA C 34 56.561 54.880 1.681 1
1 420 . 8 1 1 A 34 34 MET CB C 34 31.288 30.449 0.839 1
1 422 . 8 1 1 A 34 34 MET C C 34 176.483 176.178 0.305 1
1 423 . 8 1 1 A 34 34 MET H H 34 8.492 8.495 -0.003 1
1 424 . 8 1 1 A 34 34 MET HA H 34 4.213 4.566 -0.353 1
1 429 . 8 1 1 A 35 35 GLY N N 35 110.400 108.752 1.648 1
1 430 . 8 1 1 A 35 35 GLY CA C 35 44.884 45.368 -0.484 1
1 431 . 8 1 1 A 35 35 GLY C C 35 174.831 175.223 -0.392 1
1 432 . 8 1 1 A 35 35 GLY H H 35 8.668 8.204 0.464 1
1 433 . 8 1 1 A 35 35 GLY HA3 H 35 4.039 4.116 -0.077 1
1 434 . 8 1 1 A 35 35 GLY HA2 H 35 3.818 4.109 -0.291 1
1 435 . 8 1 1 A 36 36 GLY N N 36 107.400 109.813 -2.413 1
1 436 . 8 1 1 A 36 36 GLY CA C 36 45.427 46.669 -1.242 1
1 437 . 8 1 1 A 36 36 GLY C C 36 173.194 173.605 -0.411 1
1 438 . 8 1 1 A 36 36 GLY H H 36 8.008 7.641 0.367 1
1 439 . 8 1 1 A 36 36 GLY HA3 H 36 4.000 3.959 0.041 1
1 440 . 8 1 1 A 36 36 GLY HA2 H 36 3.861 3.955 -0.094 1
1 441 . 8 1 1 A 37 37 THR N N 37 111.100 110.460 0.640 1
1 442 . 8 1 1 A 37 37 THR CA C 37 59.954 59.681 0.273 1
1 443 . 8 1 1 A 37 37 THR CB C 37 70.589 72.856 -2.267 1
1 445 . 8 1 1 A 37 37 THR C C 37 171.355 172.564 -1.209 1
1 446 . 8 1 1 A 37 37 THR H H 37 7.476 7.573 -0.097 1
1 447 . 8 1 1 A 37 37 THR HA H 37 4.511 5.069 -0.558 1
1 450 . 8 1 1 A 38 38 SER N N 38 115.811 115.020 0.791 1
1 451 . 8 1 1 A 38 38 SER CA C 38 57.664 56.579 1.085 1
1 452 . 8 1 1 A 38 38 SER CB C 38 70.510 66.409 4.101 1
1 453 . 8 1 1 A 38 38 SER C C 38 170.198 173.334 -3.136 1
1 454 . 8 1 1 A 38 38 SER H H 38 7.257 8.888 -1.631 1
1 455 . 8 1 1 A 38 38 SER HA H 38 4.707 5.211 -0.504 1
1 458 . 8 1 1 A 39 39 ASP N N 39 121.288 120.860 0.428 1
1 459 . 8 1 1 A 39 39 ASP CA C 39 51.058 51.704 -0.646 1
1 460 . 8 1 1 A 39 39 ASP CB C 39 42.210 41.946 0.264 1
1 461 . 8 1 1 A 39 39 ASP C C 39 172.500 173.528 -1.028 1
1 462 . 8 1 1 A 39 39 ASP H H 39 8.698 8.603 0.095 1
1 463 . 8 1 1 A 39 39 ASP HA H 39 5.940 6.127 -0.187 1
1 466 . 8 1 1 A 40 40 PRO CA C 40 62.440 63.061 -0.621 1
1 467 . 8 1 1 A 40 40 PRO CB C 40 34.370 32.944 1.426 1
1 470 . 8 1 1 A 40 40 PRO C C 40 176.317 176.084 0.233 1
1 471 . 8 1 1 A 40 40 PRO HA H 40 5.826 4.737 1.089 1
1 478 . 8 1 1 A 41 41 TYR N N 41 113.769 118.869 -5.100 1
1 479 . 8 1 1 A 41 41 TYR CA C 41 56.150 57.075 -0.925 1
1 480 . 8 1 1 A 41 41 TYR CB C 41 40.246 41.217 -0.971 1
1 481 . 8 1 1 A 41 41 TYR C C 41 171.425 172.728 -1.303 1
1 482 . 8 1 1 A 41 41 TYR H H 41 8.703 8.734 -0.031 1
1 483 . 8 1 1 A 41 41 TYR HA H 41 4.795 4.843 -0.048 1
1 487 . 8 1 1 A 42 42 VAL N N 42 119.919 125.290 -5.371 1
1 488 . 8 1 1 A 42 42 VAL CA C 42 60.064 61.146 -1.082 1
1 489 . 8 1 1 A 42 42 VAL CB C 42 33.816 32.475 1.341 1
1 492 . 8 1 1 A 42 42 VAL C C 42 174.456 174.784 -0.328 1
1 493 . 8 1 1 A 42 42 VAL HA H 42 5.020 4.223 0.797 1
1 501 . 8 1 1 A 43 43 LYS N N 43 125.776 127.427 -1.651 1
1 502 . 8 1 1 A 43 43 LYS CA C 43 54.601 55.553 -0.952 1
1 503 . 8 1 1 A 43 43 LYS CB C 43 36.096 32.708 3.388 1
1 507 . 8 1 1 A 43 43 LYS C C 43 174.518 174.703 -0.185 1
1 508 . 8 1 1 A 43 43 LYS H H 43 9.415 9.234 0.181 1
1 509 . 8 1 1 A 43 43 LYS HA H 43 5.374 4.430 0.944 1
1 518 . 8 1 1 A 44 44 VAL N N 44 121.484 125.269 -3.785 1
1 519 . 8 1 1 A 44 44 VAL CA C 44 59.365 60.871 -1.506 1
1 520 . 8 1 1 A 44 44 VAL CB C 44 34.818 32.519 2.299 1
1 523 . 8 1 1 A 44 44 VAL C C 44 173.928 175.119 -1.191 1
1 524 . 8 1 1 A 44 44 VAL H H 44 8.845 7.874 0.971 1
1 525 . 8 1 1 A 44 44 VAL HA H 44 5.326 4.496 0.830 1
1 533 . 8 1 1 A 45 45 PHE N N 45 120.600 125.452 -4.852 1
1 534 . 8 1 1 A 45 45 PHE CA C 45 55.886 56.081 -0.195 1
1 535 . 8 1 1 A 45 45 PHE CB C 45 39.882 44.150 -4.268 1
1 536 . 8 1 1 A 45 45 PHE C C 45 171.102 174.669 -3.567 1
1 537 . 8 1 1 A 45 45 PHE H H 45 8.254 8.787 -0.533 1
1 538 . 8 1 1 A 45 45 PHE HA H 45 4.971 5.303 -0.332 1
1 541 . 8 1 1 A 46 46 LEU N N 46 121.444 121.326 0.118 1
1 542 . 8 1 1 A 46 46 LEU CA C 46 52.376 53.523 -1.147 1
1 543 . 8 1 1 A 46 46 LEU CB C 46 43.229 45.327 -2.098 1
1 547 . 8 1 1 A 46 46 LEU C C 46 176.176 176.243 -0.067 1
1 548 . 8 1 1 A 46 46 LEU H H 46 9.137 9.075 0.062 1
1 549 . 8 1 1 A 46 46 LEU HA H 46 4.189 5.111 -0.922 1
1 559 . 8 1 1 A 47 47 LEU N N 47 123.900 123.545 0.355 1
1 560 . 8 1 1 A 47 47 LEU CA C 47 52.926 53.097 -0.171 1
1 561 . 8 1 1 A 47 47 LEU CB C 47 41.010 41.636 -0.626 1
1 565 . 8 1 1 A 47 47 LEU C C 47 175.800 176.981 -1.181 1
1 566 . 8 1 1 A 47 47 LEU H H 47 8.945 9.184 -0.239 1
1 567 . 8 1 1 A 47 47 LEU HA H 47 4.185 4.626 -0.441 1
1 577 . 8 1 1 A 48 48 PRO CA C 48 62.992 65.490 -2.498 1
1 578 . 8 1 1 A 48 48 PRO CB C 48 24.080 31.781 -7.701 1
1 581 . 8 1 1 A 48 48 PRO C C 48 176.188 177.714 -1.526 1
1 582 . 8 1 1 A 48 48 PRO HA H 48 4.474 4.243 0.231 1
1 588 . 8 1 1 A 49 49 ASP N N 49 113.800 116.341 -2.541 1
1 589 . 8 1 1 A 49 49 ASP CA C 49 55.199 56.953 -1.754 1
1 590 . 8 1 1 A 49 49 ASP CB C 49 40.158 41.264 -1.106 1
1 591 . 8 1 1 A 49 49 ASP C C 49 175.304 176.077 -0.773 1
1 592 . 8 1 1 A 49 49 ASP H H 49 8.467 9.238 -0.771 1
1 593 . 8 1 1 A 49 49 ASP HA H 49 4.576 4.433 0.143 1
1 596 . 8 1 1 A 50 50 LYS N N 50 120.081 119.088 0.993 1
1 597 . 8 1 1 A 50 50 LYS CA C 50 56.803 57.354 -0.551 1
1 598 . 8 1 1 A 50 50 LYS CB C 50 32.059 30.650 1.409 1
1 602 . 8 1 1 A 50 50 LYS H H 50 8.329 8.081 0.248 1
1 603 . 8 1 1 A 50 50 LYS HA H 50 3.949 4.032 -0.083 1
1 604 . 8 1 1 A 50 50 LYS C C 50 175.754 176.595 -0.841 1
1 613 . 8 1 1 A 51 51 LYS N N 51 117.896 117.939 -0.043 1
1 614 . 8 1 1 A 51 51 LYS CA C 51 57.360 56.040 1.320 1
1 615 . 8 1 1 A 51 51 LYS CB C 51 32.230 32.711 -0.481 1
1 619 . 8 1 1 A 51 51 LYS H H 51 8.099 8.717 -0.618 1
1 620 . 8 1 1 A 51 51 LYS HA H 51 3.950 4.440 -0.490 1
1 621 . 8 1 1 A 51 51 LYS C C 51 176.619 175.619 1.000 1
1 630 . 8 1 1 A 52 52 LYS N N 52 120.200 118.165 2.035 1
1 631 . 8 1 1 A 52 52 LYS CA C 52 54.688 55.218 -0.530 1
1 632 . 8 1 1 A 52 52 LYS CB C 52 31.829 33.757 -1.928 1
1 636 . 8 1 1 A 52 52 LYS H H 52 7.447 7.785 -0.338 1
1 637 . 8 1 1 A 52 52 LYS HA H 52 4.259 4.834 -0.575 1
1 638 . 8 1 1 A 52 52 LYS C C 52 173.420 174.869 -1.449 1
1 647 . 8 1 1 A 53 53 LYS N N 53 123.119 126.510 -3.391 1
1 648 . 8 1 1 A 53 53 LYS CA C 53 53.698 55.400 -1.702 1
1 649 . 8 1 1 A 53 53 LYS CB C 53 41.592 33.210 8.382 1
1 653 . 8 1 1 A 53 53 LYS H H 53 7.810 8.940 -1.130 1
1 654 . 8 1 1 A 53 53 LYS HA H 53 5.004 4.949 0.055 1
1 655 . 8 1 1 A 53 53 LYS C C 53 174.468 174.940 -0.472 1
1 664 . 8 1 1 A 54 54 PHE N N 54 120.200 126.674 -6.474 1
1 665 . 8 1 1 A 54 54 PHE CA C 54 56.583 56.695 -0.112 1
1 666 . 8 1 1 A 54 54 PHE CB C 54 42.110 42.251 -0.141 1
1 667 . 8 1 1 A 54 54 PHE C C 54 173.801 174.916 -1.115 1
1 668 . 8 1 1 A 54 54 PHE H H 54 8.490 8.844 -0.354 1
1 669 . 8 1 1 A 54 54 PHE HA H 54 4.680 5.242 -0.562 1
1 672 . 8 1 1 A 55 55 GLU N N 55 117.600 121.451 -3.851 1
1 673 . 8 1 1 A 55 55 GLU CA C 55 53.537 55.553 -2.016 1
1 674 . 8 1 1 A 55 55 GLU CB C 55 33.241 33.322 -0.081 1
1 676 . 8 1 1 A 55 55 GLU C C 55 176.694 175.391 1.303 1
1 677 . 8 1 1 A 55 55 GLU H H 55 8.309 8.774 -0.465 1
1 678 . 8 1 1 A 55 55 GLU HA H 55 5.690 4.839 0.851 1
1 683 . 8 1 1 A 56 56 THR N N 56 111.700 121.776 -10.076 1
1 684 . 8 1 1 A 56 56 THR CA C 56 60.989 62.692 -1.703 1
1 685 . 8 1 1 A 56 56 THR CB C 56 71.860 69.261 2.599 1
1 687 . 8 1 1 A 56 56 THR C C 56 174.385 174.173 0.212 1
1 688 . 8 1 1 A 56 56 THR H H 56 8.775 8.247 0.528 1
1 689 . 8 1 1 A 56 56 THR HA H 56 4.838 4.445 0.393 1
1 692 . 8 1 1 A 57 57 LYS N N 57 119.500 124.227 -4.727 1
1 693 . 8 1 1 A 57 57 LYS CA C 57 56.775 56.495 0.280 1
1 694 . 8 1 1 A 57 57 LYS CB C 57 32.743 33.133 -0.390 1
1 698 . 8 1 1 A 57 57 LYS H H 57 9.787 7.169 2.618 1
1 699 . 8 1 1 A 57 57 LYS HA H 57 4.151 4.204 -0.053 1
1 700 . 8 1 1 A 57 57 LYS C C 57 177.417 176.500 0.917 1
1 709 . 8 1 1 A 58 58 VAL N N 58 123.100 125.251 -2.151 1
1 710 . 8 1 1 A 58 58 VAL CA C 58 61.870 62.770 -0.900 1
1 711 . 8 1 1 A 58 58 VAL CB C 58 32.081 31.720 0.361 1
1 714 . 8 1 1 A 58 58 VAL C C 58 176.850 175.624 1.226 1
1 715 . 8 1 1 A 58 58 VAL H H 58 8.120 8.329 -0.209 1
1 716 . 8 1 1 A 58 58 VAL HA H 58 4.284 4.050 0.234 1
1 724 . 8 1 1 A 59 59 HIS N N 59 128.800 127.220 1.580 1
1 725 . 8 1 1 A 59 59 HIS CA C 59 54.311 55.129 -0.818 1
1 726 . 8 1 1 A 59 59 HIS CB C 59 30.426 29.020 1.406 1
1 727 . 8 1 1 A 59 59 HIS C C 59 172.101 174.603 -2.502 1
1 728 . 8 1 1 A 59 59 HIS H H 59 8.550 8.700 -0.150 1
1 729 . 8 1 1 A 59 59 HIS HA H 59 4.457 4.990 -0.533 1
1 732 . 8 1 1 A 60 60 ARG N N 60 118.700 123.398 -4.698 1
1 733 . 8 1 1 A 60 60 ARG CA C 60 55.702 56.353 -0.651 1
1 734 . 8 1 1 A 60 60 ARG CB C 60 30.713 30.310 0.403 1
1 737 . 8 1 1 A 60 60 ARG C C 60 176.252 176.476 -0.224 1
1 738 . 8 1 1 A 60 60 ARG H H 60 8.211 8.628 -0.417 1
1 739 . 8 1 1 A 60 60 ARG HA H 60 4.389 4.792 -0.403 1
1 746 . 8 1 1 A 61 61 LYS N N 61 122.500 120.278 2.222 1
1 747 . 8 1 1 A 61 61 LYS CA C 61 55.977 57.166 -1.189 1
1 748 . 8 1 1 A 61 61 LYS CB C 61 29.711 29.525 0.186 1
1 752 . 8 1 1 A 61 61 LYS H H 61 9.608 9.153 0.455 1
1 753 . 8 1 1 A 61 61 LYS HA H 61 3.946 3.864 0.082 1
1 754 . 8 1 1 A 61 61 LYS C C 61 175.083 174.986 0.097 1
1 763 . 8 1 1 A 62 62 THR N N 62 113.400 108.896 4.504 1
1 764 . 8 1 1 A 62 62 THR CA C 62 59.755 60.372 -0.617 1
1 765 . 8 1 1 A 62 62 THR CB C 62 63.417 71.924 -8.507 1
1 767 . 8 1 1 A 62 62 THR C C 62 170.120 174.122 -4.002 1
1 768 . 8 1 1 A 62 62 THR H H 62 8.470 7.641 0.829 1
1 769 . 8 1 1 A 62 62 THR HA H 62 4.703 4.874 -0.171 1
1 772 . 8 1 1 A 63 63 LEU N N 63 123.100 124.528 -1.428 1
1 773 . 8 1 1 A 63 63 LEU CA C 63 52.833 54.492 -1.659 1
1 774 . 8 1 1 A 63 63 LEU CB C 63 40.311 41.925 -1.614 1
1 778 . 8 1 1 A 63 63 LEU C C 63 175.135 176.514 -1.379 1
1 779 . 8 1 1 A 63 63 LEU H H 63 8.257 8.652 -0.395 1
1 780 . 8 1 1 A 63 63 LEU HA H 63 4.483 4.566 -0.083 1
1 790 . 8 1 1 A 64 64 ASN N N 64 114.829 117.748 -2.919 1
1 792 . 8 1 1 A 64 64 ASN CA C 64 50.610 50.535 0.075 1
1 793 . 8 1 1 A 64 64 ASN CB C 64 40.550 38.959 1.591 1
1 794 . 8 1 1 A 64 64 ASN C C 64 171.500 172.971 -1.471 1
1 795 . 8 1 1 A 64 64 ASN H H 64 8.306 8.070 0.236 1
1 796 . 8 1 1 A 64 64 ASN HA H 64 5.450 5.205 0.245 1
1 801 . 8 1 1 A 65 65 PRO CA C 65 61.914 62.147 -0.233 1
1 802 . 8 1 1 A 65 65 PRO CB C 65 30.780 32.236 -1.456 1
1 805 . 8 1 1 A 65 65 PRO C C 65 173.852 176.198 -2.346 1
1 806 . 8 1 1 A 65 65 PRO HA H 65 3.970 4.789 -0.819 1
1 813 . 8 1 1 A 66 66 VAL N N 66 121.000 116.823 4.177 1
1 814 . 8 1 1 A 66 66 VAL CA C 66 61.782 60.179 1.603 1
1 815 . 8 1 1 A 66 66 VAL CB C 66 32.721 33.825 -1.104 1
1 818 . 8 1 1 A 66 66 VAL C C 66 175.152 175.701 -0.549 1
1 819 . 8 1 1 A 66 66 VAL H H 66 7.926 8.091 -0.165 1
1 820 . 8 1 1 A 66 66 VAL HA H 66 3.807 4.784 -0.977 1
1 828 . 8 1 1 A 67 67 PHE N N 67 123.400 126.803 -3.403 1
1 829 . 8 1 1 A 67 67 PHE CA C 67 59.262 60.585 -1.323 1
1 830 . 8 1 1 A 67 67 PHE CB C 67 39.849 40.137 -0.288 1
1 831 . 8 1 1 A 67 67 PHE C C 67 175.748 175.428 0.320 1
1 832 . 8 1 1 A 67 67 PHE H H 67 8.150 9.102 -0.952 1
1 833 . 8 1 1 A 67 67 PHE HA H 67 4.378 4.415 -0.037 1
1 836 . 8 1 1 A 68 68 ASN N N 68 117.500 116.083 1.417 1
1 837 . 8 1 1 A 68 68 ASN CA C 68 53.983 54.178 -0.195 1
1 838 . 8 1 1 A 68 68 ASN CB C 68 37.351 36.516 0.835 1
1 839 . 8 1 1 A 68 68 ASN C C 68 173.314 173.805 -0.491 1
1 840 . 8 1 1 A 68 68 ASN H H 68 8.920 8.917 0.003 1
1 841 . 8 1 1 A 68 68 ASN HA H 68 4.350 4.401 -0.051 1
1 847 . 8 1 1 A 69 69 GLU N N 69 116.000 118.476 -2.476 1
1 848 . 8 1 1 A 69 69 GLU CA C 69 55.742 55.198 0.544 1
1 849 . 8 1 1 A 69 69 GLU CB C 69 34.663 32.119 2.544 1
1 851 . 8 1 1 A 69 69 GLU C C 69 174.165 174.417 -0.252 1
1 852 . 8 1 1 A 69 69 GLU H H 69 7.931 7.880 0.051 1
1 853 . 8 1 1 A 69 69 GLU HA H 69 4.638 4.832 -0.194 1
1 858 . 8 1 1 A 70 70 GLN N N 70 121.500 124.106 -2.606 1
1 860 . 8 1 1 A 70 70 GLN CA C 70 53.807 55.605 -1.798 1
1 861 . 8 1 1 A 70 70 GLN CB C 70 31.750 29.085 2.665 1
1 863 . 8 1 1 A 70 70 GLN C C 70 173.068 174.928 -1.860 1
1 864 . 8 1 1 A 70 70 GLN H H 70 8.174 8.514 -0.340 1
1 865 . 8 1 1 A 70 70 GLN HA H 70 4.985 4.607 0.378 1
1 872 . 8 1 1 A 71 71 PHE N N 71 124.300 122.321 1.979 1
1 873 . 8 1 1 A 71 71 PHE CA C 71 55.249 55.907 -0.658 1
1 874 . 8 1 1 A 71 71 PHE CB C 71 42.133 40.043 2.090 1
1 875 . 8 1 1 A 71 71 PHE C C 71 173.570 174.416 -0.846 1
1 876 . 8 1 1 A 71 71 PHE H H 71 9.040 9.241 -0.201 1
1 877 . 8 1 1 A 71 71 PHE HA H 71 4.528 4.902 -0.374 1
1 880 . 8 1 1 A 72 72 THR N N 72 114.000 114.692 -0.692 1
1 881 . 8 1 1 A 72 72 THR CA C 72 59.491 62.011 -2.520 1
1 882 . 8 1 1 A 72 72 THR CB C 72 70.623 68.697 1.926 1
1 884 . 8 1 1 A 72 72 THR C C 72 172.834 173.629 -0.795 1
1 885 . 8 1 1 A 72 72 THR H H 72 7.763 7.752 0.011 1
1 886 . 8 1 1 A 72 72 THR HA H 72 5.212 3.355 1.857 1
1 889 . 8 1 1 A 73 73 PHE N N 73 120.900 122.295 -1.395 1
1 890 . 8 1 1 A 73 73 PHE CA C 73 56.071 55.607 0.464 1
1 891 . 8 1 1 A 73 73 PHE CB C 73 41.570 38.810 2.760 1
1 892 . 8 1 1 A 73 73 PHE C C 73 174.890 175.108 -0.218 1
1 893 . 8 1 1 A 73 73 PHE H H 73 8.983 8.262 0.721 1
1 894 . 8 1 1 A 73 73 PHE HA H 73 4.750 5.968 -1.218 1
1 897 . 8 1 1 A 74 74 LYS N N 74 127.500 120.464 7.036 1
1 898 . 8 1 1 A 74 74 LYS CA C 74 56.186 55.334 0.852 1
1 899 . 8 1 1 A 74 74 LYS CB C 74 30.577 32.459 -1.882 1
1 903 . 8 1 1 A 74 74 LYS C C 74 174.575 175.165 -0.590 1
1 904 . 8 1 1 A 74 74 LYS H H 74 9.063 8.177 0.886 1
1 905 . 8 1 1 A 74 74 LYS HA H 74 4.690 4.645 0.045 1
1 914 . 8 1 1 A 75 75 VAL N N 75 126.600 115.931 10.669 1
1 915 . 8 1 1 A 75 75 VAL CA C 75 57.737 58.563 -0.826 1
1 916 . 8 1 1 A 75 75 VAL CB C 75 35.160 35.078 0.082 1
1 919 . 8 1 1 A 75 75 VAL C C 75 171.500 173.527 -2.027 1
1 920 . 8 1 1 A 75 75 VAL H H 75 7.546 7.593 -0.047 1
1 921 . 8 1 1 A 75 75 VAL HA H 75 4.650 4.741 -0.091 1
1 929 . 8 1 1 A 76 76 PRO CA C 76 62.476 62.737 -0.261 1
1 930 . 8 1 1 A 76 76 PRO CB C 76 32.143 32.732 -0.589 1
1 933 . 8 1 1 A 76 76 PRO C C 76 176.991 177.102 -0.111 1
1 934 . 8 1 1 A 76 76 PRO HA H 76 4.329 4.656 -0.327 1
1 941 . 8 1 1 A 77 77 TYR N N 77 128.500 124.508 3.992 1
1 942 . 8 1 1 A 77 77 TYR CA C 77 61.772 60.581 1.191 1
1 943 . 8 1 1 A 77 77 TYR CB C 77 37.898 37.396 0.502 1
1 944 . 8 1 1 A 77 77 TYR C C 77 177.516 177.121 0.395 1
1 945 . 8 1 1 A 77 77 TYR H H 77 8.626 8.936 -0.310 1
1 946 . 8 1 1 A 77 77 TYR HA H 77 3.403 4.196 -0.793 1
1 950 . 8 1 1 A 78 78 SER N N 78 110.600 116.430 -5.830 1
1 951 . 8 1 1 A 78 78 SER H H 78 8.509 7.832 0.677 1
1 952 . 8 1 1 A 78 78 SER CA C 78 60.064 61.018 -0.954 1
1 953 . 8 1 1 A 78 78 SER CB C 78 62.022 62.188 -0.166 1
1 954 . 8 1 1 A 78 78 SER C C 78 175.292 176.269 -0.977 1
1 955 . 8 1 1 A 78 78 SER HA H 78 3.940 4.223 -0.283 1
1 958 . 8 1 1 A 79 79 GLU N N 79 119.000 121.399 -2.399 1
1 959 . 8 1 1 A 79 79 GLU CA C 79 55.273 56.383 -1.110 1
1 960 . 8 1 1 A 79 79 GLU CB C 79 30.302 30.221 0.081 1
1 962 . 8 1 1 A 79 79 GLU C C 79 177.218 178.413 -1.195 1
1 963 . 8 1 1 A 79 79 GLU H H 79 7.411 7.585 -0.174 1
1 964 . 8 1 1 A 79 79 GLU HA H 79 4.280 4.288 -0.008 1
1 969 . 8 1 1 A 80 80 LEU N N 80 121.600 122.797 -1.197 1
1 970 . 8 1 1 A 80 80 LEU CA C 80 57.376 57.883 -0.507 1
1 971 . 8 1 1 A 80 80 LEU CB C 80 41.916 42.011 -0.095 1
1 975 . 8 1 1 A 80 80 LEU C C 80 177.098 178.345 -1.247 1
1 976 . 8 1 1 A 80 80 LEU H H 80 7.311 7.604 -0.293 1
1 977 . 8 1 1 A 80 80 LEU HA H 80 3.643 3.861 -0.218 1
1 987 . 8 1 1 A 81 81 GLY N N 81 102.900 106.306 -3.406 1
1 988 . 8 1 1 A 81 81 GLY CA C 81 46.638 47.442 -0.804 1
1 989 . 8 1 1 A 81 81 GLY C C 81 174.240 176.601 -2.361 1
1 990 . 8 1 1 A 81 81 GLY H H 81 7.860 7.875 -0.015 1
1 991 . 8 1 1 A 81 81 GLY HA3 H 81 3.744 3.781 -0.037 1
1 992 . 8 1 1 A 81 81 GLY HA2 H 81 3.434 3.771 -0.337 1
1 993 . 8 1 1 A 82 82 GLY N N 82 105.900 108.885 -2.985 1
1 994 . 8 1 1 A 82 82 GLY CA C 82 44.289 47.019 -2.730 1
1 995 . 8 1 1 A 82 82 GLY C C 82 174.591 174.407 0.184 1
1 996 . 8 1 1 A 82 82 GLY H H 82 7.396 8.182 -0.786 1
1 997 . 8 1 1 A 82 82 GLY HA3 H 82 4.267 3.829 0.438 1
1 998 . 8 1 1 A 82 82 GLY HA2 H 82 3.760 3.826 -0.066 1
1 999 . 8 1 1 A 83 83 LYS N N 83 119.000 115.829 3.171 1
1 1000 . 8 1 1 A 83 83 LYS CA C 83 53.818 55.544 -1.726 1
1 1001 . 8 1 1 A 83 83 LYS CB C 83 33.814 33.883 -0.069 1
1 1005 . 8 1 1 A 83 83 LYS H H 83 7.888 7.147 0.741 1
1 1006 . 8 1 1 A 83 83 LYS HA H 83 4.366 4.583 -0.217 1
1 1007 . 8 1 1 A 83 83 LYS C C 83 176.518 175.862 0.656 1
1 1015 . 8 1 1 A 84 84 THR N N 84 118.500 112.913 5.587 1
1 1016 . 8 1 1 A 84 84 THR CA C 84 61.914 60.624 1.290 1
1 1017 . 8 1 1 A 84 84 THR CB C 84 71.340 71.220 0.120 1
1 1019 . 8 1 1 A 84 84 THR C C 84 171.750 173.648 -1.898 1
1 1020 . 8 1 1 A 84 84 THR H H 84 8.248 8.838 -0.590 1
1 1021 . 8 1 1 A 84 84 THR HA H 84 4.638 5.333 -0.695 1
1 1024 . 8 1 1 A 85 85 LEU N N 85 130.500 123.669 6.831 1
1 1025 . 8 1 1 A 85 85 LEU CA C 85 53.982 53.617 0.365 1
1 1026 . 8 1 1 A 85 85 LEU CB C 85 43.826 43.028 0.798 1
1 1030 . 8 1 1 A 85 85 LEU C C 85 173.417 176.269 -2.852 1
1 1031 . 8 1 1 A 85 85 LEU H H 85 8.430 8.834 -0.404 1
1 1032 . 8 1 1 A 85 85 LEU HA H 85 4.417 4.930 -0.513 1
1 1042 . 8 1 1 A 86 86 VAL N N 86 127.723 119.853 7.870 1
1 1043 . 8 1 1 A 86 86 VAL CA C 86 61.206 59.901 1.305 1
1 1044 . 8 1 1 A 86 86 VAL CB C 86 31.856 34.430 -2.574 1
1 1047 . 8 1 1 A 86 86 VAL C C 86 173.599 174.587 -0.988 1
1 1048 . 8 1 1 A 86 86 VAL H H 86 8.771 8.957 -0.186 1
1 1049 . 8 1 1 A 86 86 VAL HA H 86 4.151 5.273 -1.122 1
1 1057 . 8 1 1 A 87 87 MET N N 87 122.600 123.551 -0.951 1
1 1058 . 8 1 1 A 87 87 MET CA C 87 53.654 54.055 -0.401 1
1 1059 . 8 1 1 A 87 87 MET CB C 87 31.288 36.914 -5.626 1
1 1061 . 8 1 1 A 87 87 MET C C 87 172.749 174.886 -2.137 1
1 1062 . 8 1 1 A 87 87 MET H H 87 7.503 9.005 -1.502 1
1 1063 . 8 1 1 A 87 87 MET HA H 87 4.706 5.228 -0.522 1
1 1068 . 8 1 1 A 88 88 ALA N N 88 124.200 124.830 -0.630 1
1 1069 . 8 1 1 A 88 88 ALA CA C 88 50.017 50.941 -0.924 1
1 1070 . 8 1 1 A 88 88 ALA CB C 88 23.107 21.025 2.082 1
1 1071 . 8 1 1 A 88 88 ALA C C 88 174.558 175.617 -1.059 1
1 1072 . 8 1 1 A 88 88 ALA H H 88 8.755 8.617 0.138 1
1 1073 . 8 1 1 A 88 88 ALA HA H 88 4.948 4.987 -0.039 1
1 1077 . 8 1 1 A 89 89 VAL N N 89 122.900 123.311 -0.411 1
1 1078 . 8 1 1 A 89 89 VAL CA C 89 60.881 62.694 -1.813 1
1 1079 . 8 1 1 A 89 89 VAL CB C 89 31.541 31.394 0.147 1
1 1082 . 8 1 1 A 89 89 VAL C C 89 173.707 174.522 -0.815 1
1 1083 . 8 1 1 A 89 89 VAL H H 89 8.813 8.721 0.092 1
1 1084 . 8 1 1 A 89 89 VAL HA H 89 4.652 4.449 0.203 1
1 1092 . 8 1 1 A 90 90 TYR N N 90 128.400 128.467 -0.067 1
1 1093 . 8 1 1 A 90 90 TYR CA C 90 56.230 55.886 0.344 1
1 1094 . 8 1 1 A 90 90 TYR CB C 90 43.211 41.305 1.906 1
1 1095 . 8 1 1 A 90 90 TYR C C 90 173.024 173.403 -0.379 1
1 1096 . 8 1 1 A 90 90 TYR H H 90 9.067 9.278 -0.211 1
1 1097 . 8 1 1 A 90 90 TYR HA H 90 4.766 5.159 -0.393 1
1 1101 . 8 1 1 A 91 91 ASP N N 91 116.300 129.293 -12.993 1
1 1102 . 8 1 1 A 91 91 ASP CA C 91 51.800 52.768 -0.968 1
1 1103 . 8 1 1 A 91 91 ASP CB C 91 42.265 42.731 -0.466 1
1 1104 . 8 1 1 A 91 91 ASP C C 91 175.823 175.768 0.055 1
1 1105 . 8 1 1 A 91 91 ASP H H 91 8.700 9.220 -0.520 1
1 1106 . 8 1 1 A 91 91 ASP HA H 91 5.098 5.224 -0.126 1
1 1109 . 8 1 1 A 92 92 PHE N N 92 128.100 127.498 0.602 1
1 1110 . 8 1 1 A 92 92 PHE CA C 92 58.830 57.314 1.516 1
1 1111 . 8 1 1 A 92 92 PHE CB C 92 31.850 39.529 -7.679 1
1 1112 . 8 1 1 A 92 92 PHE C C 92 173.437 176.041 -2.604 1
1 1113 . 8 1 1 A 92 92 PHE H H 92 9.540 8.811 0.729 1
1 1114 . 8 1 1 A 92 92 PHE HA H 92 4.480 4.669 -0.189 1
1 1117 . 8 1 1 A 93 93 ASP N N 93 122.100 128.274 -6.174 1
1 1118 . 8 1 1 A 93 93 ASP CA C 93 53.701 53.306 0.395 1
1 1119 . 8 1 1 A 93 93 ASP CB C 93 41.736 40.765 0.971 1
1 1120 . 8 1 1 A 93 93 ASP C C 93 175.548 175.566 -0.018 1
1 1121 . 8 1 1 A 93 93 ASP H H 93 7.812 8.700 -0.888 1
1 1122 . 8 1 1 A 93 93 ASP HA H 93 4.480 5.383 -0.903 1
1 1125 . 8 1 1 A 94 94 ARG N N 94 121.500 115.097 6.403 1
1 1126 . 8 1 1 A 94 94 ARG CA C 94 56.142 57.679 -1.537 1
1 1127 . 8 1 1 A 94 94 ARG CB C 94 30.173 28.022 2.151 1
1 1129 . 8 1 1 A 94 94 ARG C C 94 175.795 174.972 0.823 1
1 1130 . 8 1 1 A 94 94 ARG H H 94 8.264 7.204 1.060 1
1 1131 . 8 1 1 A 94 94 ARG HA H 94 4.000 3.702 0.298 1
1 1138 . 8 1 1 A 95 95 PHE N N 95 118.600 118.947 -0.347 1
1 1139 . 8 1 1 A 95 95 PHE CA C 95 59.850 59.070 0.780 1
1 1140 . 8 1 1 A 95 95 PHE CB C 95 38.955 40.562 -1.607 1
1 1141 . 8 1 1 A 95 95 PHE C C 95 172.969 174.788 -1.819 1
1 1142 . 8 1 1 A 95 95 PHE H H 95 6.889 8.140 -1.251 1
1 1143 . 8 1 1 A 95 95 PHE HA H 95 4.373 4.770 -0.397 1
1 1146 . 8 1 1 A 96 96 SER N N 96 114.200 111.873 2.327 1
1 1147 . 8 1 1 A 96 96 SER H H 96 8.027 7.776 0.251 1
1 1148 . 8 1 1 A 96 96 SER CA C 96 57.596 57.834 -0.238 1
1 1149 . 8 1 1 A 96 96 SER CB C 96 63.494 64.951 -1.457 1
1 1150 . 8 1 1 A 96 96 SER C C 96 174.149 174.104 0.045 1
1 1151 . 8 1 1 A 96 96 SER HA H 96 4.220 4.181 0.039 1
1 1154 . 8 1 1 A 97 97 LYS N N 97 121.600 118.124 3.476 1
1 1155 . 8 1 1 A 97 97 LYS CA C 97 58.206 56.189 2.017 1
1 1156 . 8 1 1 A 97 97 LYS CB C 97 31.860 32.505 -0.645 1
1 1159 . 8 1 1 A 97 97 LYS H H 97 8.264 8.172 0.092 1
1 1160 . 8 1 1 A 97 97 LYS HA H 97 4.202 3.850 0.352 1
1 1161 . 8 1 1 A 97 97 LYS C C 97 175.599 175.864 -0.265 1
1 1170 . 8 1 1 A 98 98 HIS N N 98 119.000 121.637 -2.637 1
1 1171 . 8 1 1 A 98 98 HIS CA C 98 54.159 56.118 -1.959 1
1 1172 . 8 1 1 A 98 98 HIS CB C 98 30.040 29.992 0.048 1
1 1173 . 8 1 1 A 98 98 HIS C C 98 174.050 174.096 -0.046 1
1 1174 . 8 1 1 A 98 98 HIS H H 98 8.350 7.920 0.430 1
1 1175 . 8 1 1 A 98 98 HIS HA H 98 4.784 4.516 0.268 1
1 1178 . 8 1 1 A 99 99 ASP N N 99 122.600 125.285 -2.685 1
1 1179 . 8 1 1 A 99 99 ASP CA C 99 53.806 53.553 0.253 1
1 1180 . 8 1 1 A 99 99 ASP CB C 99 41.074 42.465 -1.391 1
1 1181 . 8 1 1 A 99 99 ASP C C 99 174.346 176.330 -1.984 1
1 1182 . 8 1 1 A 99 99 ASP H H 99 8.812 8.929 -0.117 1
1 1183 . 8 1 1 A 99 99 ASP HA H 99 4.781 4.982 -0.201 1
1 1186 . 8 1 1 A 100 100 ILE N N 100 122.400 126.527 -4.127 1
1 1187 . 8 1 1 A 100 100 ILE CA C 100 60.989 62.177 -1.188 1
1 1188 . 8 1 1 A 100 100 ILE CB C 100 38.823 37.401 1.422 1
1 1192 . 8 1 1 A 100 100 ILE C C 100 174.431 178.056 -3.625 1
1 1193 . 8 1 1 A 100 100 ILE H H 100 8.075 8.690 -0.615 1
1 1194 . 8 1 1 A 100 100 ILE HA H 100 3.405 3.950 -0.545 1
1 1204 . 8 1 1 A 101 101 ILE N N 101 127.400 123.956 3.444 1
1 1205 . 8 1 1 A 101 101 ILE CA C 101 63.380 63.702 -0.322 1
1 1206 . 8 1 1 A 101 101 ILE CB C 101 38.058 38.185 -0.127 1
1 1210 . 8 1 1 A 101 101 ILE C C 101 175.859 176.299 -0.440 1
1 1211 . 8 1 1 A 101 101 ILE H H 101 9.219 8.734 0.485 1
1 1212 . 8 1 1 A 101 101 ILE HA H 101 3.869 4.011 -0.142 1
1 1219 . 8 1 1 A 102 102 GLY N N 102 101.500 109.509 -8.009 1
1 1220 . 8 1 1 A 102 102 GLY CA C 102 45.259 45.728 -0.469 1
1 1221 . 8 1 1 A 102 102 GLY C C 102 169.614 171.472 -1.858 1
1 1222 . 8 1 1 A 102 102 GLY H H 102 7.241 7.049 0.192 1
1 1223 . 8 1 1 A 102 102 GLY HA3 H 102 4.024 4.021 0.003 1
1 1224 . 8 1 1 A 102 102 GLY HA2 H 102 3.811 4.001 -0.190 1
1 1225 . 8 1 1 A 103 103 GLU N N 103 117.100 119.529 -2.429 1
1 1226 . 8 1 1 A 103 103 GLU CA C 103 54.229 55.571 -1.342 1
1 1227 . 8 1 1 A 103 103 GLU CB C 103 34.012 33.870 0.142 1
1 1229 . 8 1 1 A 103 103 GLU C C 103 173.993 174.310 -0.317 1
1 1230 . 8 1 1 A 103 103 GLU H H 103 9.499 9.052 0.447 1
1 1231 . 8 1 1 A 103 103 GLU HA H 103 5.513 5.087 0.426 1
1 1236 . 8 1 1 A 104 104 PHE N N 104 115.900 125.178 -9.278 1
1 1237 . 8 1 1 A 104 104 PHE CA C 104 58.037 56.883 1.154 1
1 1238 . 8 1 1 A 104 104 PHE CB C 104 41.030 42.923 -1.893 1
1 1239 . 8 1 1 A 104 104 PHE C C 104 171.749 173.288 -1.539 1
1 1240 . 8 1 1 A 104 104 PHE H H 104 8.525 9.143 -0.618 1
1 1241 . 8 1 1 A 104 104 PHE HA H 104 4.731 5.172 -0.441 1
1 1244 . 8 1 1 A 105 105 LYS N N 105 118.900 126.316 -7.416 1
1 1245 . 8 1 1 A 105 105 LYS CA C 105 53.771 54.851 -1.080 1
1 1246 . 8 1 1 A 105 105 LYS CB C 105 34.953 35.092 -0.139 1
1 1250 . 8 1 1 A 105 105 LYS H H 105 7.805 8.043 -0.238 1
1 1251 . 8 1 1 A 105 105 LYS HA H 105 5.188 4.896 0.292 1
1 1252 . 8 1 1 A 105 105 LYS C C 105 175.389 174.916 0.473 1
1 1261 . 8 1 1 A 106 106 VAL N N 106 121.400 123.807 -2.407 1
1 1262 . 8 1 1 A 106 106 VAL CA C 106 58.522 59.044 -0.522 1
1 1263 . 8 1 1 A 106 106 VAL CB C 106 34.050 35.048 -0.998 1
1 1266 . 8 1 1 A 106 106 VAL C C 106 173.300 173.893 -0.593 1
1 1267 . 8 1 1 A 106 106 VAL H H 106 9.276 8.764 0.512 1
1 1268 . 8 1 1 A 106 106 VAL HA H 106 4.430 4.474 -0.044 1
1 1276 . 8 1 1 A 107 107 PRO CA C 107 62.265 62.799 -0.534 1
1 1277 . 8 1 1 A 107 107 PRO CB C 107 31.157 31.488 -0.331 1
1 1280 . 8 1 1 A 107 107 PRO C C 107 178.967 178.807 0.160 1
1 1281 . 8 1 1 A 107 107 PRO HA H 107 4.703 4.733 -0.030 1
1 1288 . 8 1 1 A 108 108 MET N N 108 126.300 125.202 1.098 1
1 1289 . 8 1 1 A 108 108 MET CA C 108 56.728 57.692 -0.964 1
1 1290 . 8 1 1 A 108 108 MET CB C 108 32.909 32.177 0.732 1
1 1292 . 8 1 1 A 108 108 MET C C 108 176.858 178.382 -1.524 1
1 1293 . 8 1 1 A 108 108 MET H H 108 8.716 8.389 0.327 1
1 1294 . 8 1 1 A 108 108 MET HA H 108 4.483 4.386 0.097 1
1 1299 . 8 1 1 A 109 109 ASN N N 109 115.600 116.741 -1.141 1
1 1300 . 8 1 1 A 109 109 ASN CA C 109 53.983 55.767 -1.784 1
1 1301 . 8 1 1 A 109 109 ASN CB C 109 36.227 37.275 -1.048 1
1 1302 . 8 1 1 A 109 109 ASN C C 109 175.789 176.544 -0.755 1
1 1303 . 8 1 1 A 109 109 ASN H H 109 8.342 8.733 -0.391 1
1 1304 . 8 1 1 A 109 109 ASN HA H 109 4.564 4.439 0.125 1
1 1310 . 8 1 1 A 110 110 THR N N 110 107.600 111.273 -3.673 1
1 1311 . 8 1 1 A 110 110 THR CA C 110 61.115 63.815 -2.700 1
1 1312 . 8 1 1 A 110 110 THR CB C 110 62.929 70.063 -7.134 1
1 1314 . 8 1 1 A 110 110 THR C C 110 173.508 174.930 -1.422 1
1 1315 . 8 1 1 A 110 110 THR H H 110 7.522 7.449 0.073 1
1 1316 . 8 1 1 A 110 110 THR HA H 110 4.461 4.354 0.107 1
1 1319 . 8 1 1 A 111 111 VAL N N 111 123.700 122.053 1.647 1
1 1320 . 8 1 1 A 111 111 VAL CA C 111 61.782 60.923 0.859 1
1 1321 . 8 1 1 A 111 111 VAL CB C 111 32.821 32.870 -0.049 1
1 1324 . 8 1 1 A 111 111 VAL C C 111 173.903 174.595 -0.692 1
1 1325 . 8 1 1 A 111 111 VAL H H 111 6.960 7.352 -0.392 1
1 1326 . 8 1 1 A 111 111 VAL HA H 111 3.703 4.452 -0.749 1
1 1334 . 8 1 1 A 112 112 ASP N N 112 125.800 128.966 -3.166 1
1 1335 . 8 1 1 A 112 112 ASP CA C 112 51.777 53.913 -2.136 1
1 1336 . 8 1 1 A 112 112 ASP CB C 112 40.648 41.088 -0.440 1
1 1337 . 8 1 1 A 112 112 ASP C C 112 175.407 175.614 -0.207 1
1 1338 . 8 1 1 A 112 112 ASP H H 112 8.341 8.794 -0.453 1
1 1339 . 8 1 1 A 112 112 ASP HA H 112 4.719 4.904 -0.185 1
1 1342 . 8 1 1 A 113 113 PHE N N 113 122.700 122.873 -0.173 1
1 1343 . 8 1 1 A 113 113 PHE CA C 113 59.887 56.026 3.861 1
1 1344 . 8 1 1 A 113 113 PHE CB C 113 37.999 36.507 1.492 1
1 1345 . 8 1 1 A 113 113 PHE C C 113 175.854 176.197 -0.343 1
1 1346 . 8 1 1 A 113 113 PHE H H 113 8.391 8.850 -0.459 1
1 1347 . 8 1 1 A 113 113 PHE HA H 113 4.670 4.700 -0.030 1
1 1350 . 8 1 1 A 114 114 GLY N N 114 108.608 110.178 -1.570 1
1 1351 . 8 1 1 A 114 114 GLY CA C 114 45.657 47.107 -1.450 1
1 1352 . 8 1 1 A 114 114 GLY C C 114 172.963 175.290 -2.327 1
1 1353 . 8 1 1 A 114 114 GLY H H 114 8.953 8.437 0.516 1
1 1354 . 8 1 1 A 114 114 GLY HA3 H 114 4.018 3.490 0.528 1
1 1355 . 8 1 1 A 114 114 GLY HA2 H 114 3.912 3.484 0.428 1
1 1356 . 8 1 1 A 115 115 HIS N N 115 114.926 118.787 -3.861 1
1 1357 . 8 1 1 A 115 115 HIS CA C 115 53.533 55.700 -2.167 1
1 1358 . 8 1 1 A 115 115 HIS CB C 115 30.349 30.751 -0.402 1
1 1359 . 8 1 1 A 115 115 HIS C C 115 172.453 174.228 -1.775 1
1 1360 . 8 1 1 A 115 115 HIS H H 115 7.510 8.125 -0.615 1
1 1361 . 8 1 1 A 115 115 HIS HA H 115 4.868 4.997 -0.129 1
1 1364 . 8 1 1 A 116 116 VAL N N 116 122.100 117.944 4.156 1
1 1365 . 8 1 1 A 116 116 VAL CA C 116 62.992 60.117 2.875 1
1 1366 . 8 1 1 A 116 116 VAL CB C 116 31.850 34.467 -2.617 1
1 1369 . 8 1 1 A 116 116 VAL C C 116 176.352 174.350 2.002 1
1 1370 . 8 1 1 A 116 116 VAL H H 116 8.460 8.303 0.157 1
1 1371 . 8 1 1 A 116 116 VAL HA H 116 4.268 4.715 -0.447 1
1 1379 . 8 1 1 A 117 117 THR N N 117 124.700 121.566 3.134 1
1 1380 . 8 1 1 A 117 117 THR CA C 117 61.694 61.917 -0.223 1
1 1381 . 8 1 1 A 117 117 THR CB C 117 70.001 68.256 1.745 1
1 1383 . 8 1 1 A 117 117 THR C C 117 172.762 173.441 -0.679 1
1 1384 . 8 1 1 A 117 117 THR H H 117 8.550 9.379 -0.829 1
1 1385 . 8 1 1 A 117 117 THR HA H 117 4.460 4.526 -0.066 1
1 1388 . 8 1 1 A 118 118 GLU N N 118 126.000 124.219 1.781 1
1 1389 . 8 1 1 A 118 118 GLU CA C 118 55.038 54.928 0.110 1
1 1390 . 8 1 1 A 118 118 GLU CB C 118 30.835 31.621 -0.786 1
1 1392 . 8 1 1 A 118 118 GLU C C 118 174.419 174.657 -0.238 1
1 1393 . 8 1 1 A 118 118 GLU H H 118 8.382 8.929 -0.547 1
1 1394 . 8 1 1 A 118 118 GLU HA H 118 4.776 5.239 -0.463 1
1 1399 . 8 1 1 A 119 119 GLU N N 119 123.000 120.659 2.341 1
1 1400 . 8 1 1 A 119 119 GLU CA C 119 54.292 54.866 -0.574 1
1 1401 . 8 1 1 A 119 119 GLU CB C 119 32.909 32.537 0.372 1
1 1403 . 8 1 1 A 119 119 GLU C C 119 173.072 174.765 -1.693 1
1 1404 . 8 1 1 A 119 119 GLU H H 119 8.057 8.708 -0.651 1
1 1405 . 8 1 1 A 119 119 GLU HA H 119 4.631 4.515 0.116 1
1 1410 . 8 1 1 A 120 120 TRP N N 120 118.300 122.255 -3.955 1
1 1411 . 8 1 1 A 120 120 TRP C C 120 177.336 176.161 1.175 1
1 1412 . 8 1 1 A 120 120 TRP CA C 120 55.672 57.789 -2.117 1
1 1413 . 8 1 1 A 120 120 TRP CB C 120 31.259 29.126 2.133 1
1 1414 . 8 1 1 A 120 120 TRP H H 120 8.212 8.198 0.014 1
1 1415 . 8 1 1 A 120 120 TRP HA H 120 5.322 4.827 0.495 1
1 1424 . 8 1 1 A 121 121 ARG N N 121 120.900 125.361 -4.461 1
1 1425 . 8 1 1 A 121 121 ARG CA C 121 53.631 54.745 -1.114 1
1 1426 . 8 1 1 A 121 121 ARG CB C 121 32.865 33.207 -0.342 1
1 1429 . 8 1 1 A 121 121 ARG C C 121 174.321 174.810 -0.489 1
1 1430 . 8 1 1 A 121 121 ARG H H 121 9.012 9.303 -0.291 1
1 1431 . 8 1 1 A 121 121 ARG HA H 121 4.488 4.938 -0.450 1
1 1438 . 8 1 1 A 122 122 ASP N N 122 121.600 123.866 -2.266 1
1 1439 . 8 1 1 A 122 122 ASP CA C 122 53.795 53.943 -0.148 1
1 1440 . 8 1 1 A 122 122 ASP CB C 122 40.544 42.336 -1.792 1
1 1441 . 8 1 1 A 122 122 ASP C C 122 176.041 175.191 0.850 1
1 1442 . 8 1 1 A 122 122 ASP H H 122 8.226 8.979 -0.753 1
1 1443 . 8 1 1 A 122 122 ASP HA H 122 4.791 5.161 -0.370 1
1 1446 . 8 1 1 A 123 123 LEU N N 123 120.700 126.301 -5.601 1
1 1447 . 8 1 1 A 123 123 LEU CA C 123 54.997 54.074 0.923 1
1 1448 . 8 1 1 A 123 123 LEU CB C 123 41.765 43.373 -1.608 1
1 1452 . 8 1 1 A 123 123 LEU C C 123 175.964 175.857 0.107 1
1 1453 . 8 1 1 A 123 123 LEU H H 123 8.436 9.123 -0.687 1
1 1454 . 8 1 1 A 123 123 LEU HA H 123 4.125 4.961 -0.836 1
1 1464 . 8 1 1 A 124 124 GLN N N 124 119.200 125.683 -6.483 1
1 1466 . 8 1 1 A 124 124 GLN CA C 124 53.278 55.926 -2.648 1
1 1467 . 8 1 1 A 124 124 GLN CB C 124 31.232 29.363 1.869 1
1 1469 . 8 1 1 A 124 124 GLN C C 124 175.183 175.285 -0.102 1
1 1470 . 8 1 1 A 124 124 GLN H H 124 9.020 8.952 0.068 1
1 1471 . 8 1 1 A 124 124 GLN HA H 124 4.738 4.439 0.299 1
1 1478 . 8 1 1 A 125 125 SER N N 125 115.300 117.260 -1.960 1
1 1479 . 8 1 1 A 125 125 SER H H 125 8.543 8.584 -0.041 1
1 1480 . 8 1 1 A 125 125 SER CA C 125 58.477 59.033 -0.556 1
1 1481 . 8 1 1 A 125 125 SER CB C 125 63.274 63.232 0.042 1
1 1482 . 8 1 1 A 125 125 SER C C 125 174.609 174.985 -0.376 1
1 1483 . 8 1 1 A 125 125 SER HA H 125 4.235 4.382 -0.147 1
1 1486 . 8 1 1 A 126 126 ALA N N 126 126.900 128.304 -1.404 1
1 1487 . 8 1 1 A 126 126 ALA CA C 126 51.636 49.849 1.787 1
1 1488 . 8 1 1 A 126 126 ALA CB C 126 19.845 22.657 -2.812 1
1 1489 . 8 1 1 A 126 126 ALA C C 126 176.876 175.676 1.200 1
1 1490 . 8 1 1 A 126 126 ALA H H 126 8.640 8.647 -0.007 1
1 1491 . 8 1 1 A 126 126 ALA HA H 126 4.216 5.113 -0.897 1
1 1495 . 8 1 1 A 127 127 GLU N N 127 120.600 118.731 1.869 1
1 1496 . 8 1 1 A 127 127 GLU CA C 127 56.142 55.397 0.745 1
1 1497 . 8 1 1 A 127 127 GLU CB C 127 29.996 29.805 0.191 1
1 1499 . 8 1 1 A 127 127 GLU C C 127 175.129 175.128 0.001 1
1 1500 . 8 1 1 A 127 127 GLU H H 127 8.204 8.709 -0.505 1
1 1501 . 8 1 1 A 127 127 GLU HA H 127 4.176 4.841 -0.665 1
1 12 . 9 1 1 A 2 2 LYS N N 2 123.200 118.122 5.078 1
1 13 . 9 1 1 A 2 2 LYS CA C 2 55.550 55.545 0.005 1
1 14 . 9 1 1 A 2 2 LYS CB C 2 31.730 33.148 -1.418 1
1 18 . 9 1 1 A 2 2 LYS H H 2 8.320 8.727 -0.407 1
1 19 . 9 1 1 A 2 2 LYS C C 2 176.041 175.924 0.117 1
1 20 . 9 1 1 A 2 2 LYS HA H 2 4.413 4.854 -0.441 1
1 29 . 9 1 1 A 3 3 LEU N N 3 124.700 123.832 0.868 1
1 30 . 9 1 1 A 3 3 LEU CA C 3 53.800 56.097 -2.297 1
1 31 . 9 1 1 A 3 3 LEU CB C 3 43.351 43.584 -0.233 1
1 35 . 9 1 1 A 3 3 LEU C C 3 173.289 176.692 -3.403 1
1 36 . 9 1 1 A 3 3 LEU H H 3 8.319 8.854 -0.535 1
1 37 . 9 1 1 A 3 3 LEU HA H 3 4.363 4.196 0.167 1
1 47 . 9 1 1 A 4 4 GLY N N 4 102.100 107.094 -4.994 1
1 48 . 9 1 1 A 4 4 GLY CA C 4 44.232 44.537 -0.305 1
1 49 . 9 1 1 A 4 4 GLY C C 4 174.476 172.959 1.517 1
1 50 . 9 1 1 A 4 4 GLY H H 4 7.412 7.806 -0.394 1
1 51 . 9 1 1 A 4 4 GLY HA3 H 4 4.367 4.078 0.289 1
1 52 . 9 1 1 A 4 4 GLY HA2 H 4 3.662 4.069 -0.407 1
1 53 . 9 1 1 A 5 5 LYS N N 5 114.993 120.446 -5.453 1
1 54 . 9 1 1 A 5 5 LYS CA C 5 54.807 54.583 0.224 1
1 55 . 9 1 1 A 5 5 LYS CB C 5 36.664 36.886 -0.222 1
1 59 . 9 1 1 A 5 5 LYS C C 5 173.762 174.871 -1.109 1
1 60 . 9 1 1 A 5 5 LYS H H 5 8.748 8.449 0.299 1
1 61 . 9 1 1 A 5 5 LYS HA H 5 5.333 5.259 0.074 1
1 70 . 9 1 1 A 6 6 LEU N N 6 122.195 121.886 0.309 1
1 71 . 9 1 1 A 6 6 LEU CA C 6 53.760 53.669 0.091 1
1 72 . 9 1 1 A 6 6 LEU CB C 6 47.948 44.466 3.482 1
1 76 . 9 1 1 A 6 6 LEU C C 6 172.524 176.041 -3.517 1
1 77 . 9 1 1 A 6 6 LEU H H 6 9.058 9.694 -0.636 1
1 78 . 9 1 1 A 6 6 LEU HA H 6 5.312 6.375 -1.063 1
1 88 . 9 1 1 A 7 7 GLN N N 7 127.800 124.624 3.176 1
1 90 . 9 1 1 A 7 7 GLN CA C 7 52.595 55.332 -2.737 1
1 91 . 9 1 1 A 7 7 GLN CB C 7 28.032 30.180 -2.148 1
1 93 . 9 1 1 A 7 7 GLN C C 7 173.707 174.577 -0.870 1
1 94 . 9 1 1 A 7 7 GLN H H 7 8.945 8.549 0.396 1
1 95 . 9 1 1 A 7 7 GLN HA H 7 5.170 5.356 -0.186 1
1 102 . 9 1 1 A 8 8 TYR N N 8 125.700 124.211 1.489 1
1 103 . 9 1 1 A 8 8 TYR CA C 8 54.578 57.463 -2.885 1
1 104 . 9 1 1 A 8 8 TYR CB C 8 42.236 40.403 1.833 1
1 105 . 9 1 1 A 8 8 TYR C C 8 171.582 174.011 -2.429 1
1 106 . 9 1 1 A 8 8 TYR H H 8 8.445 8.581 -0.136 1
1 107 . 9 1 1 A 8 8 TYR HA H 8 5.401 5.022 0.379 1
1 110 . 9 1 1 A 9 9 SER N N 9 113.300 114.769 -1.469 1
1 111 . 9 1 1 A 9 9 SER H H 9 9.486 8.361 1.125 1
1 112 . 9 1 1 A 9 9 SER CA C 9 55.195 56.680 -1.485 1
1 113 . 9 1 1 A 9 9 SER CB C 9 67.116 64.843 2.273 1
1 114 . 9 1 1 A 9 9 SER C C 9 173.486 172.699 0.787 1
1 115 . 9 1 1 A 9 9 SER HA H 9 5.400 5.441 -0.041 1
1 118 . 9 1 1 A 10 10 LEU N N 10 120.700 126.936 -6.236 1
1 119 . 9 1 1 A 10 10 LEU CA C 10 53.388 53.786 -0.398 1
1 120 . 9 1 1 A 10 10 LEU CB C 10 46.946 44.432 2.514 1
1 121 . 9 1 1 A 10 10 LEU C C 10 174.640 175.330 -0.690 1
1 125 . 9 1 1 A 10 10 LEU H H 10 8.698 9.923 -1.225 1
1 126 . 9 1 1 A 10 10 LEU HA H 10 5.471 5.245 0.226 1
1 136 . 9 1 1 A 11 11 ASP N N 11 119.760 123.804 -4.044 1
1 137 . 9 1 1 A 11 11 ASP CA C 11 52.525 52.755 -0.230 1
1 138 . 9 1 1 A 11 11 ASP CB C 11 44.683 45.248 -0.565 1
1 139 . 9 1 1 A 11 11 ASP C C 11 173.093 173.665 -0.572 1
1 140 . 9 1 1 A 11 11 ASP H H 11 8.673 9.225 -0.552 1
1 141 . 9 1 1 A 11 11 ASP HA H 11 5.126 5.723 -0.597 1
1 144 . 9 1 1 A 12 12 TYR N N 12 124.200 123.243 0.957 1
1 145 . 9 1 1 A 12 12 TYR CA C 12 57.883 56.557 1.326 1
1 146 . 9 1 1 A 12 12 TYR CB C 12 40.054 41.971 -1.917 1
1 147 . 9 1 1 A 12 12 TYR C C 12 171.962 173.325 -1.363 1
1 148 . 9 1 1 A 12 12 TYR H H 12 8.898 8.900 -0.002 1
1 149 . 9 1 1 A 12 12 TYR HA H 12 4.609 5.291 -0.682 1
1 154 . 9 1 1 A 13 13 ASP N N 13 126.400 129.144 -2.744 1
1 155 . 9 1 1 A 13 13 ASP CA C 13 51.141 52.402 -1.261 1
1 156 . 9 1 1 A 13 13 ASP CB C 13 40.891 41.064 -0.173 1
1 157 . 9 1 1 A 13 13 ASP C C 13 175.599 176.313 -0.714 1
1 158 . 9 1 1 A 13 13 ASP H H 13 8.018 8.757 -0.739 1
1 159 . 9 1 1 A 13 13 ASP HA H 13 4.591 4.643 -0.052 1
1 162 . 9 1 1 A 14 14 PHE N N 14 123.575 123.803 -0.228 1
1 163 . 9 1 1 A 14 14 PHE CA C 14 60.734 58.066 2.668 1
1 164 . 9 1 1 A 14 14 PHE CB C 14 38.821 38.298 0.523 1
1 165 . 9 1 1 A 14 14 PHE C C 14 176.704 175.838 0.866 1
1 166 . 9 1 1 A 14 14 PHE H H 14 8.540 7.557 0.983 1
1 167 . 9 1 1 A 14 14 PHE HA H 14 4.187 3.922 0.265 1
1 170 . 9 1 1 A 15 15 GLN N N 15 118.500 116.995 1.505 1
1 172 . 9 1 1 A 15 15 GLN CA C 15 57.927 55.544 2.383 1
1 173 . 9 1 1 A 15 15 GLN CB C 15 28.129 27.948 0.181 1
1 175 . 9 1 1 A 15 15 GLN C C 15 176.646 176.609 0.037 1
1 176 . 9 1 1 A 15 15 GLN H H 15 8.307 7.410 0.897 1
1 177 . 9 1 1 A 15 15 GLN HA H 15 4.150 4.200 -0.050 1
1 184 . 9 1 1 A 16 16 ASN N N 16 113.392 116.681 -3.289 1
1 185 . 9 1 1 A 16 16 ASN CA C 16 52.051 51.885 0.166 1
1 186 . 9 1 1 A 16 16 ASN CB C 16 39.238 37.819 1.419 1
1 187 . 9 1 1 A 16 16 ASN C C 16 173.191 175.552 -2.361 1
1 188 . 9 1 1 A 16 16 ASN H H 16 7.347 7.842 -0.495 1
1 189 . 9 1 1 A 16 16 ASN HA H 16 4.682 4.674 0.008 1
1 195 . 9 1 1 A 17 17 ASN N N 17 118.200 116.647 1.553 1
1 196 . 9 1 1 A 17 17 ASN CA C 17 54.524 54.151 0.373 1
1 197 . 9 1 1 A 17 17 ASN CB C 17 36.825 37.264 -0.439 1
1 198 . 9 1 1 A 17 17 ASN C C 17 175.797 174.399 1.398 1
1 199 . 9 1 1 A 17 17 ASN H H 17 7.682 8.067 -0.385 1
1 200 . 9 1 1 A 17 17 ASN HA H 17 4.300 4.542 -0.242 1
1 206 . 9 1 1 A 18 18 GLN N N 18 110.518 120.128 -9.610 1
1 208 . 9 1 1 A 18 18 GLN CA C 18 52.888 55.077 -2.189 1
1 209 . 9 1 1 A 18 18 GLN CB C 18 31.353 32.602 -1.249 1
1 211 . 9 1 1 A 18 18 GLN C C 18 171.717 173.983 -2.266 1
1 212 . 9 1 1 A 18 18 GLN H H 18 6.757 7.810 -1.053 1
1 213 . 9 1 1 A 18 18 GLN HA H 18 4.911 4.758 0.153 1
1 220 . 9 1 1 A 19 19 LEU N N 19 124.400 127.218 -2.818 1
1 221 . 9 1 1 A 19 19 LEU CA C 19 53.873 54.374 -0.501 1
1 222 . 9 1 1 A 19 19 LEU CB C 19 44.558 42.903 1.655 1
1 226 . 9 1 1 A 19 19 LEU C C 19 173.731 176.073 -2.342 1
1 227 . 9 1 1 A 19 19 LEU H H 19 9.048 8.275 0.773 1
1 228 . 9 1 1 A 19 19 LEU HA H 19 4.543 5.021 -0.478 1
1 238 . 9 1 1 A 20 20 LEU N N 20 128.415 125.857 2.558 1
1 239 . 9 1 1 A 20 20 LEU CA C 20 53.695 54.105 -0.410 1
1 240 . 9 1 1 A 20 20 LEU CB C 20 41.956 45.905 -3.949 1
1 244 . 9 1 1 A 20 20 LEU C C 20 175.696 174.497 1.199 1
1 245 . 9 1 1 A 20 20 LEU H H 20 9.021 10.078 -1.057 1
1 246 . 9 1 1 A 20 20 LEU HA H 20 4.852 4.941 -0.089 1
1 256 . 9 1 1 A 21 21 VAL N N 21 125.838 127.090 -1.252 1
1 257 . 9 1 1 A 21 21 VAL CA C 21 60.511 61.044 -0.533 1
1 258 . 9 1 1 A 21 21 VAL CB C 21 45.331 34.949 10.382 1
1 260 . 9 1 1 A 21 21 VAL C C 21 173.979 175.069 -1.090 1
1 261 . 9 1 1 A 21 21 VAL H H 21 9.073 8.729 0.344 1
1 262 . 9 1 1 A 21 21 VAL HA H 21 4.853 4.568 0.285 1
1 270 . 9 1 1 A 22 22 GLY N N 22 117.254 114.488 2.766 1
1 271 . 9 1 1 A 22 22 GLY CA C 22 43.843 45.377 -1.534 1
1 272 . 9 1 1 A 22 22 GLY C C 22 172.485 174.486 -2.001 1
1 273 . 9 1 1 A 22 22 GLY H H 22 9.486 9.010 0.476 1
1 274 . 9 1 1 A 22 22 GLY HA3 H 22 4.653 3.847 0.806 1
1 275 . 9 1 1 A 22 22 GLY HA2 H 22 3.520 3.662 -0.142 1
1 276 . 9 1 1 A 23 23 ILE N N 23 125.106 123.472 1.634 1
1 277 . 9 1 1 A 23 23 ILE CA C 23 58.182 60.178 -1.996 1
1 278 . 9 1 1 A 23 23 ILE CB C 23 35.290 38.554 -3.264 1
1 282 . 9 1 1 A 23 23 ILE C C 23 174.346 176.070 -1.724 1
1 283 . 9 1 1 A 23 23 ILE H H 23 8.831 7.861 0.970 1
1 284 . 9 1 1 A 23 23 ILE HA H 23 4.330 4.693 -0.363 1
1 294 . 9 1 1 A 24 24 ILE N N 24 126.735 120.831 5.904 1
1 295 . 9 1 1 A 24 24 ILE CA C 24 65.005 62.671 2.334 1
1 296 . 9 1 1 A 24 24 ILE CB C 24 37.790 38.358 -0.568 1
1 300 . 9 1 1 A 24 24 ILE C C 24 177.149 175.918 1.231 1
1 301 . 9 1 1 A 24 24 ILE H H 24 8.365 8.341 0.024 1
1 302 . 9 1 1 A 24 24 ILE HA H 24 3.903 3.929 -0.026 1
1 312 . 9 1 1 A 25 25 GLN N N 25 110.662 116.208 -5.546 1
1 314 . 9 1 1 A 25 25 GLN CA C 25 54.295 55.519 -1.224 1
1 315 . 9 1 1 A 25 25 GLN CB C 25 30.953 32.599 -1.646 1
1 317 . 9 1 1 A 25 25 GLN C C 25 171.152 173.631 -2.479 1
1 318 . 9 1 1 A 25 25 GLN H H 25 7.706 7.671 0.035 1
1 319 . 9 1 1 A 25 25 GLN HA H 25 5.123 4.730 0.393 1
1 325 . 9 1 1 A 26 26 ALA N N 26 121.300 127.118 -5.818 1
1 326 . 9 1 1 A 26 26 ALA CA C 26 49.951 50.232 -0.281 1
1 327 . 9 1 1 A 26 26 ALA CB C 26 22.406 22.303 0.103 1
1 328 . 9 1 1 A 26 26 ALA C C 26 171.937 176.005 -4.068 1
1 329 . 9 1 1 A 26 26 ALA H H 26 9.195 8.339 0.856 1
1 330 . 9 1 1 A 26 26 ALA HA H 26 5.740 6.303 -0.563 1
1 334 . 9 1 1 A 27 27 ALA N N 27 120.100 122.101 -2.001 1
1 335 . 9 1 1 A 27 27 ALA CA C 27 50.524 50.737 -0.213 1
1 336 . 9 1 1 A 27 27 ALA CB C 27 24.047 21.518 2.529 1
1 337 . 9 1 1 A 27 27 ALA C C 27 174.984 176.904 -1.920 1
1 338 . 9 1 1 A 27 27 ALA H H 27 9.118 8.601 0.517 1
1 339 . 9 1 1 A 27 27 ALA HA H 27 5.353 4.857 0.496 1
1 343 . 9 1 1 A 28 28 GLU N N 28 112.600 119.508 -6.908 1
1 344 . 9 1 1 A 28 28 GLU CA C 28 56.032 57.438 -1.406 1
1 345 . 9 1 1 A 28 28 GLU CB C 28 25.966 27.573 -1.607 1
1 347 . 9 1 1 A 28 28 GLU C C 28 174.427 175.245 -0.818 1
1 348 . 9 1 1 A 28 28 GLU H H 28 8.453 8.752 -0.299 1
1 349 . 9 1 1 A 28 28 GLU HA H 28 3.648 3.849 -0.201 1
1 354 . 9 1 1 A 29 29 LEU N N 29 116.093 120.467 -4.374 1
1 355 . 9 1 1 A 29 29 LEU CA C 29 53.295 51.277 2.018 1
1 356 . 9 1 1 A 29 29 LEU CB C 29 39.640 42.635 -2.995 1
1 360 . 9 1 1 A 29 29 LEU C C 29 173.800 174.700 -0.900 1
1 361 . 9 1 1 A 29 29 LEU H H 29 7.951 8.652 -0.701 1
1 362 . 9 1 1 A 29 29 LEU HA H 29 4.330 4.845 -0.515 1
1 372 . 9 1 1 A 30 30 PRO CA C 30 61.760 63.282 -1.522 1
1 373 . 9 1 1 A 30 30 PRO CB C 30 31.492 32.301 -0.809 1
1 376 . 9 1 1 A 30 30 PRO C C 30 175.525 176.447 -0.922 1
1 377 . 9 1 1 A 30 30 PRO HA H 30 4.327 4.445 -0.118 1
1 383 . 9 1 1 A 31 31 ALA N N 31 122.487 125.171 -2.684 1
1 384 . 9 1 1 A 31 31 ALA CA C 31 50.604 52.439 -1.835 1
1 385 . 9 1 1 A 31 31 ALA CB C 31 18.576 19.624 -1.048 1
1 386 . 9 1 1 A 31 31 ALA C C 31 177.222 177.364 -0.142 1
1 387 . 9 1 1 A 31 31 ALA H H 31 8.128 8.367 -0.239 1
1 388 . 9 1 1 A 31 31 ALA HA H 31 4.130 4.514 -0.384 1
1 392 . 9 1 1 A 32 32 LEU N N 32 124.400 123.450 0.950 1
1 393 . 9 1 1 A 32 32 LEU CA C 32 55.041 53.800 1.241 1
1 394 . 9 1 1 A 32 32 LEU CB C 32 42.916 42.173 0.743 1
1 398 . 9 1 1 A 32 32 LEU C C 32 176.852 174.834 2.018 1
1 399 . 9 1 1 A 32 32 LEU H H 32 8.035 8.817 -0.782 1
1 400 . 9 1 1 A 32 32 LEU HA H 32 4.240 4.778 -0.538 1
1 410 . 9 1 1 A 33 33 ASP N N 33 119.800 120.669 -0.869 1
1 411 . 9 1 1 A 33 33 ASP CA C 33 52.948 53.214 -0.266 1
1 412 . 9 1 1 A 33 33 ASP CB C 33 41.578 44.944 -3.366 1
1 413 . 9 1 1 A 33 33 ASP C C 33 176.200 174.466 1.734 1
1 414 . 9 1 1 A 33 33 ASP H H 33 8.400 7.159 1.241 1
1 415 . 9 1 1 A 33 33 ASP HA H 33 4.785 5.188 -0.403 1
1 418 . 9 1 1 A 34 34 MET N N 34 120.000 121.485 -1.485 1
1 419 . 9 1 1 A 34 34 MET CA C 34 56.561 54.901 1.660 1
1 420 . 9 1 1 A 34 34 MET CB C 34 31.288 30.484 0.804 1
1 422 . 9 1 1 A 34 34 MET C C 34 176.483 176.198 0.285 1
1 423 . 9 1 1 A 34 34 MET H H 34 8.492 8.527 -0.035 1
1 424 . 9 1 1 A 34 34 MET HA H 34 4.213 4.587 -0.374 1
1 429 . 9 1 1 A 35 35 GLY N N 35 110.400 108.716 1.684 1
1 430 . 9 1 1 A 35 35 GLY CA C 35 44.884 45.372 -0.488 1
1 431 . 9 1 1 A 35 35 GLY C C 35 174.831 175.135 -0.304 1
1 432 . 9 1 1 A 35 35 GLY H H 35 8.668 8.399 0.269 1
1 433 . 9 1 1 A 35 35 GLY HA3 H 35 4.039 4.121 -0.082 1
1 434 . 9 1 1 A 35 35 GLY HA2 H 35 3.818 4.116 -0.298 1
1 435 . 9 1 1 A 36 36 GLY N N 36 107.400 109.514 -2.114 1
1 436 . 9 1 1 A 36 36 GLY CA C 36 45.427 46.745 -1.318 1
1 437 . 9 1 1 A 36 36 GLY C C 36 173.194 173.628 -0.434 1
1 438 . 9 1 1 A 36 36 GLY H H 36 8.008 7.811 0.197 1
1 439 . 9 1 1 A 36 36 GLY HA3 H 36 4.000 3.968 0.032 1
1 440 . 9 1 1 A 36 36 GLY HA2 H 36 3.861 3.964 -0.103 1
1 441 . 9 1 1 A 37 37 THR N N 37 111.100 110.417 0.683 1
1 442 . 9 1 1 A 37 37 THR CA C 37 59.954 59.667 0.287 1
1 443 . 9 1 1 A 37 37 THR CB C 37 70.589 72.893 -2.304 1
1 445 . 9 1 1 A 37 37 THR C C 37 171.355 172.632 -1.277 1
1 446 . 9 1 1 A 37 37 THR H H 37 7.476 7.575 -0.099 1
1 447 . 9 1 1 A 37 37 THR HA H 37 4.511 5.074 -0.563 1
1 450 . 9 1 1 A 38 38 SER N N 38 115.811 114.871 0.940 1
1 451 . 9 1 1 A 38 38 SER CA C 38 57.664 56.531 1.133 1
1 452 . 9 1 1 A 38 38 SER CB C 38 70.510 66.263 4.247 1
1 453 . 9 1 1 A 38 38 SER C C 38 170.198 173.357 -3.159 1
1 454 . 9 1 1 A 38 38 SER H H 38 7.257 8.934 -1.677 1
1 455 . 9 1 1 A 38 38 SER HA H 38 4.707 5.199 -0.492 1
1 458 . 9 1 1 A 39 39 ASP N N 39 121.288 121.057 0.231 1
1 459 . 9 1 1 A 39 39 ASP CA C 39 51.058 51.752 -0.694 1
1 460 . 9 1 1 A 39 39 ASP CB C 39 42.210 41.807 0.403 1
1 461 . 9 1 1 A 39 39 ASP C C 39 172.500 173.724 -1.224 1
1 462 . 9 1 1 A 39 39 ASP H H 39 8.698 8.957 -0.259 1
1 463 . 9 1 1 A 39 39 ASP HA H 39 5.940 6.094 -0.154 1
1 466 . 9 1 1 A 40 40 PRO CA C 40 62.440 63.178 -0.738 1
1 467 . 9 1 1 A 40 40 PRO CB C 40 34.370 32.923 1.447 1
1 470 . 9 1 1 A 40 40 PRO C C 40 176.317 175.131 1.186 1
1 471 . 9 1 1 A 40 40 PRO HA H 40 5.826 4.712 1.114 1
1 478 . 9 1 1 A 41 41 TYR N N 41 113.769 124.289 -10.520 1
1 479 . 9 1 1 A 41 41 TYR CA C 41 56.150 57.959 -1.809 1
1 480 . 9 1 1 A 41 41 TYR CB C 41 40.246 41.601 -1.355 1
1 481 . 9 1 1 A 41 41 TYR C C 41 171.425 173.652 -2.227 1
1 482 . 9 1 1 A 41 41 TYR H H 41 8.703 8.902 -0.199 1
1 483 . 9 1 1 A 41 41 TYR HA H 41 4.795 4.768 0.027 1
1 487 . 9 1 1 A 42 42 VAL N N 42 119.919 127.462 -7.543 1
1 488 . 9 1 1 A 42 42 VAL CA C 42 60.064 61.252 -1.188 1
1 489 . 9 1 1 A 42 42 VAL CB C 42 33.816 32.707 1.109 1
1 492 . 9 1 1 A 42 42 VAL C C 42 174.456 174.508 -0.052 1
1 493 . 9 1 1 A 42 42 VAL HA H 42 5.020 4.694 0.326 1
1 501 . 9 1 1 A 43 43 LYS N N 43 125.776 124.959 0.817 1
1 502 . 9 1 1 A 43 43 LYS CA C 43 54.601 55.031 -0.430 1
1 503 . 9 1 1 A 43 43 LYS CB C 43 36.096 33.146 2.950 1
1 507 . 9 1 1 A 43 43 LYS C C 43 174.518 174.378 0.140 1
1 508 . 9 1 1 A 43 43 LYS H H 43 9.415 9.229 0.186 1
1 509 . 9 1 1 A 43 43 LYS HA H 43 5.374 4.359 1.015 1
1 518 . 9 1 1 A 44 44 VAL N N 44 121.484 124.170 -2.686 1
1 519 . 9 1 1 A 44 44 VAL CA C 44 59.365 59.368 -0.003 1
1 520 . 9 1 1 A 44 44 VAL CB C 44 34.818 33.523 1.295 1
1 523 . 9 1 1 A 44 44 VAL C C 44 173.928 173.715 0.213 1
1 524 . 9 1 1 A 44 44 VAL H H 44 8.845 8.330 0.515 1
1 525 . 9 1 1 A 44 44 VAL HA H 44 5.326 4.459 0.867 1
1 533 . 9 1 1 A 45 45 PHE N N 45 120.600 125.800 -5.200 1
1 534 . 9 1 1 A 45 45 PHE CA C 45 55.886 56.077 -0.191 1
1 535 . 9 1 1 A 45 45 PHE CB C 45 39.882 44.120 -4.238 1
1 536 . 9 1 1 A 45 45 PHE C C 45 171.102 174.638 -3.536 1
1 537 . 9 1 1 A 45 45 PHE H H 45 8.254 8.812 -0.558 1
1 538 . 9 1 1 A 45 45 PHE HA H 45 4.971 5.304 -0.333 1
1 541 . 9 1 1 A 46 46 LEU N N 46 121.444 120.700 0.744 1
1 542 . 9 1 1 A 46 46 LEU CA C 46 52.376 53.511 -1.135 1
1 543 . 9 1 1 A 46 46 LEU CB C 46 43.229 45.317 -2.088 1
1 547 . 9 1 1 A 46 46 LEU C C 46 176.176 175.158 1.018 1
1 548 . 9 1 1 A 46 46 LEU H H 46 9.137 8.905 0.232 1
1 549 . 9 1 1 A 46 46 LEU HA H 46 4.189 5.179 -0.990 1
1 559 . 9 1 1 A 47 47 LEU N N 47 123.900 123.246 0.654 1
1 560 . 9 1 1 A 47 47 LEU CA C 47 52.926 52.386 0.540 1
1 561 . 9 1 1 A 47 47 LEU CB C 47 41.010 43.518 -2.508 1
1 565 . 9 1 1 A 47 47 LEU C C 47 175.800 177.258 -1.458 1
1 566 . 9 1 1 A 47 47 LEU H H 47 8.945 8.291 0.654 1
1 567 . 9 1 1 A 47 47 LEU HA H 47 4.185 4.599 -0.414 1
1 577 . 9 1 1 A 48 48 PRO CA C 48 62.992 65.085 -2.093 1
1 578 . 9 1 1 A 48 48 PRO CB C 48 24.080 31.974 -7.894 1
1 581 . 9 1 1 A 48 48 PRO C C 48 176.188 177.638 -1.450 1
1 582 . 9 1 1 A 48 48 PRO HA H 48 4.474 4.264 0.210 1
1 588 . 9 1 1 A 49 49 ASP N N 49 113.800 116.349 -2.549 1
1 589 . 9 1 1 A 49 49 ASP CA C 49 55.199 56.832 -1.633 1
1 590 . 9 1 1 A 49 49 ASP CB C 49 40.158 41.338 -1.180 1
1 591 . 9 1 1 A 49 49 ASP C C 49 175.304 175.993 -0.689 1
1 592 . 9 1 1 A 49 49 ASP H H 49 8.467 9.213 -0.746 1
1 593 . 9 1 1 A 49 49 ASP HA H 49 4.576 4.436 0.140 1
1 596 . 9 1 1 A 50 50 LYS N N 50 120.081 118.814 1.267 1
1 597 . 9 1 1 A 50 50 LYS CA C 50 56.803 57.083 -0.280 1
1 598 . 9 1 1 A 50 50 LYS CB C 50 32.059 30.514 1.545 1
1 602 . 9 1 1 A 50 50 LYS H H 50 8.329 7.944 0.385 1
1 603 . 9 1 1 A 50 50 LYS HA H 50 3.949 4.000 -0.051 1
1 604 . 9 1 1 A 50 50 LYS C C 50 175.754 177.030 -1.276 1
1 613 . 9 1 1 A 51 51 LYS N N 51 117.896 119.177 -1.281 1
1 614 . 9 1 1 A 51 51 LYS CA C 51 57.360 56.013 1.347 1
1 615 . 9 1 1 A 51 51 LYS CB C 51 32.230 32.945 -0.715 1
1 619 . 9 1 1 A 51 51 LYS H H 51 8.099 7.398 0.701 1
1 620 . 9 1 1 A 51 51 LYS HA H 51 3.950 4.489 -0.539 1
1 621 . 9 1 1 A 51 51 LYS C C 51 176.619 176.188 0.431 1
1 630 . 9 1 1 A 52 52 LYS N N 52 120.200 116.673 3.527 1
1 631 . 9 1 1 A 52 52 LYS CA C 52 54.688 55.320 -0.632 1
1 632 . 9 1 1 A 52 52 LYS CB C 52 31.829 33.475 -1.646 1
1 636 . 9 1 1 A 52 52 LYS H H 52 7.447 7.853 -0.406 1
1 637 . 9 1 1 A 52 52 LYS HA H 52 4.259 4.848 -0.589 1
1 638 . 9 1 1 A 52 52 LYS C C 52 173.420 174.833 -1.413 1
1 647 . 9 1 1 A 53 53 LYS N N 53 123.119 126.734 -3.615 1
1 648 . 9 1 1 A 53 53 LYS CA C 53 53.698 55.819 -2.121 1
1 649 . 9 1 1 A 53 53 LYS CB C 53 41.592 33.298 8.294 1
1 653 . 9 1 1 A 53 53 LYS H H 53 7.810 9.070 -1.260 1
1 654 . 9 1 1 A 53 53 LYS HA H 53 5.004 5.192 -0.188 1
1 655 . 9 1 1 A 53 53 LYS C C 53 174.468 175.470 -1.002 1
1 664 . 9 1 1 A 54 54 PHE N N 54 120.200 127.854 -7.654 1
1 665 . 9 1 1 A 54 54 PHE CA C 54 56.583 56.662 -0.079 1
1 666 . 9 1 1 A 54 54 PHE CB C 54 42.110 42.595 -0.485 1
1 667 . 9 1 1 A 54 54 PHE C C 54 173.801 174.175 -0.374 1
1 668 . 9 1 1 A 54 54 PHE H H 54 8.490 8.389 0.101 1
1 669 . 9 1 1 A 54 54 PHE HA H 54 4.680 5.242 -0.562 1
1 672 . 9 1 1 A 55 55 GLU N N 55 117.600 124.762 -7.162 1
1 673 . 9 1 1 A 55 55 GLU CA C 55 53.537 55.301 -1.764 1
1 674 . 9 1 1 A 55 55 GLU CB C 55 33.241 32.766 0.475 1
1 676 . 9 1 1 A 55 55 GLU C C 55 176.694 174.758 1.936 1
1 677 . 9 1 1 A 55 55 GLU H H 55 8.309 6.852 1.457 1
1 678 . 9 1 1 A 55 55 GLU HA H 55 5.690 4.242 1.448 1
1 683 . 9 1 1 A 56 56 THR N N 56 111.700 121.189 -9.489 1
1 684 . 9 1 1 A 56 56 THR CA C 56 60.989 62.241 -1.252 1
1 685 . 9 1 1 A 56 56 THR CB C 56 71.860 69.020 2.840 1
1 687 . 9 1 1 A 56 56 THR C C 56 174.385 174.617 -0.232 1
1 688 . 9 1 1 A 56 56 THR H H 56 8.775 7.602 1.173 1
1 689 . 9 1 1 A 56 56 THR HA H 56 4.838 4.123 0.715 1
1 692 . 9 1 1 A 57 57 LYS N N 57 119.500 124.668 -5.168 1
1 693 . 9 1 1 A 57 57 LYS CA C 57 56.775 56.593 0.182 1
1 694 . 9 1 1 A 57 57 LYS CB C 57 32.743 32.509 0.234 1
1 698 . 9 1 1 A 57 57 LYS H H 57 9.787 7.947 1.840 1
1 699 . 9 1 1 A 57 57 LYS HA H 57 4.151 4.113 0.038 1
1 700 . 9 1 1 A 57 57 LYS C C 57 177.417 176.544 0.873 1
1 709 . 9 1 1 A 58 58 VAL N N 58 123.100 120.273 2.827 1
1 710 . 9 1 1 A 58 58 VAL CA C 58 61.870 61.709 0.161 1
1 711 . 9 1 1 A 58 58 VAL CB C 58 32.081 32.595 -0.514 1
1 714 . 9 1 1 A 58 58 VAL C C 58 176.850 175.461 1.389 1
1 715 . 9 1 1 A 58 58 VAL H H 58 8.120 8.325 -0.205 1
1 716 . 9 1 1 A 58 58 VAL HA H 58 4.284 4.132 0.152 1
1 724 . 9 1 1 A 59 59 HIS N N 59 128.800 124.866 3.934 1
1 725 . 9 1 1 A 59 59 HIS CA C 59 54.311 55.090 -0.779 1
1 726 . 9 1 1 A 59 59 HIS CB C 59 30.426 29.003 1.423 1
1 727 . 9 1 1 A 59 59 HIS C C 59 172.101 175.099 -2.998 1
1 728 . 9 1 1 A 59 59 HIS H H 59 8.550 8.374 0.176 1
1 729 . 9 1 1 A 59 59 HIS HA H 59 4.457 4.978 -0.521 1
1 732 . 9 1 1 A 60 60 ARG N N 60 118.700 123.817 -5.117 1
1 733 . 9 1 1 A 60 60 ARG CA C 60 55.702 56.404 -0.702 1
1 734 . 9 1 1 A 60 60 ARG CB C 60 30.713 30.346 0.367 1
1 737 . 9 1 1 A 60 60 ARG C C 60 176.252 176.077 0.175 1
1 738 . 9 1 1 A 60 60 ARG H H 60 8.211 8.654 -0.443 1
1 739 . 9 1 1 A 60 60 ARG HA H 60 4.389 4.712 -0.323 1
1 746 . 9 1 1 A 61 61 LYS N N 61 122.500 118.028 4.472 1
1 747 . 9 1 1 A 61 61 LYS CA C 61 55.977 57.168 -1.191 1
1 748 . 9 1 1 A 61 61 LYS CB C 61 29.711 29.472 0.239 1
1 752 . 9 1 1 A 61 61 LYS H H 61 9.608 9.073 0.535 1
1 753 . 9 1 1 A 61 61 LYS HA H 61 3.946 4.083 -0.137 1
1 754 . 9 1 1 A 61 61 LYS C C 61 175.083 174.999 0.084 1
1 763 . 9 1 1 A 62 62 THR N N 62 113.400 109.116 4.284 1
1 764 . 9 1 1 A 62 62 THR CA C 62 59.755 60.340 -0.585 1
1 765 . 9 1 1 A 62 62 THR CB C 62 63.417 72.018 -8.601 1
1 767 . 9 1 1 A 62 62 THR C C 62 170.120 174.476 -4.356 1
1 768 . 9 1 1 A 62 62 THR H H 62 8.470 7.561 0.909 1
1 769 . 9 1 1 A 62 62 THR HA H 62 4.703 4.869 -0.166 1
1 772 . 9 1 1 A 63 63 LEU N N 63 123.100 125.556 -2.456 1
1 773 . 9 1 1 A 63 63 LEU CA C 63 52.833 55.732 -2.899 1
1 774 . 9 1 1 A 63 63 LEU CB C 63 40.311 42.596 -2.285 1
1 778 . 9 1 1 A 63 63 LEU C C 63 175.135 176.817 -1.682 1
1 779 . 9 1 1 A 63 63 LEU H H 63 8.257 8.790 -0.533 1
1 780 . 9 1 1 A 63 63 LEU HA H 63 4.483 4.412 0.071 1
1 790 . 9 1 1 A 64 64 ASN N N 64 114.829 118.759 -3.930 1
1 792 . 9 1 1 A 64 64 ASN CA C 64 50.610 50.521 0.089 1
1 793 . 9 1 1 A 64 64 ASN CB C 64 40.550 38.893 1.657 1
1 794 . 9 1 1 A 64 64 ASN C C 64 171.500 173.102 -1.602 1
1 795 . 9 1 1 A 64 64 ASN H H 64 8.306 8.047 0.259 1
1 796 . 9 1 1 A 64 64 ASN HA H 64 5.450 5.221 0.229 1
1 801 . 9 1 1 A 65 65 PRO CA C 65 61.914 62.096 -0.182 1
1 802 . 9 1 1 A 65 65 PRO CB C 65 30.780 32.300 -1.520 1
1 805 . 9 1 1 A 65 65 PRO C C 65 173.852 176.305 -2.453 1
1 806 . 9 1 1 A 65 65 PRO HA H 65 3.970 4.822 -0.852 1
1 813 . 9 1 1 A 66 66 VAL N N 66 121.000 122.088 -1.088 1
1 814 . 9 1 1 A 66 66 VAL CA C 66 61.782 60.379 1.403 1
1 815 . 9 1 1 A 66 66 VAL CB C 66 32.721 33.613 -0.892 1
1 818 . 9 1 1 A 66 66 VAL C C 66 175.152 175.717 -0.565 1
1 819 . 9 1 1 A 66 66 VAL H H 66 7.926 8.346 -0.420 1
1 820 . 9 1 1 A 66 66 VAL HA H 66 3.807 4.530 -0.723 1
1 828 . 9 1 1 A 67 67 PHE N N 67 123.400 129.371 -5.971 1
1 829 . 9 1 1 A 67 67 PHE CA C 67 59.262 60.526 -1.264 1
1 830 . 9 1 1 A 67 67 PHE CB C 67 39.849 40.055 -0.206 1
1 831 . 9 1 1 A 67 67 PHE C C 67 175.748 175.377 0.371 1
1 832 . 9 1 1 A 67 67 PHE H H 67 8.150 8.909 -0.759 1
1 833 . 9 1 1 A 67 67 PHE HA H 67 4.378 4.366 0.012 1
1 836 . 9 1 1 A 68 68 ASN N N 68 117.500 116.888 0.612 1
1 837 . 9 1 1 A 68 68 ASN CA C 68 53.983 53.834 0.149 1
1 838 . 9 1 1 A 68 68 ASN CB C 68 37.351 36.816 0.535 1
1 839 . 9 1 1 A 68 68 ASN C C 68 173.314 174.139 -0.825 1
1 840 . 9 1 1 A 68 68 ASN H H 68 8.920 8.713 0.207 1
1 841 . 9 1 1 A 68 68 ASN HA H 68 4.350 5.696 -1.346 1
1 847 . 9 1 1 A 69 69 GLU N N 69 116.000 118.552 -2.552 1
1 848 . 9 1 1 A 69 69 GLU CA C 69 55.742 54.737 1.005 1
1 849 . 9 1 1 A 69 69 GLU CB C 69 34.663 31.739 2.924 1
1 851 . 9 1 1 A 69 69 GLU C C 69 174.165 174.687 -0.522 1
1 852 . 9 1 1 A 69 69 GLU H H 69 7.931 7.935 -0.004 1
1 853 . 9 1 1 A 69 69 GLU HA H 69 4.638 4.831 -0.193 1
1 858 . 9 1 1 A 70 70 GLN N N 70 121.500 125.548 -4.048 1
1 860 . 9 1 1 A 70 70 GLN CA C 70 53.807 54.910 -1.103 1
1 861 . 9 1 1 A 70 70 GLN CB C 70 31.750 28.737 3.013 1
1 863 . 9 1 1 A 70 70 GLN C C 70 173.068 173.860 -0.792 1
1 864 . 9 1 1 A 70 70 GLN H H 70 8.174 8.489 -0.315 1
1 865 . 9 1 1 A 70 70 GLN HA H 70 4.985 4.190 0.795 1
1 872 . 9 1 1 A 71 71 PHE N N 71 124.300 126.351 -2.051 1
1 873 . 9 1 1 A 71 71 PHE CA C 71 55.249 56.244 -0.995 1
1 874 . 9 1 1 A 71 71 PHE CB C 71 42.133 37.763 4.370 1
1 875 . 9 1 1 A 71 71 PHE C C 71 173.570 174.148 -0.578 1
1 876 . 9 1 1 A 71 71 PHE H H 71 9.040 8.328 0.712 1
1 877 . 9 1 1 A 71 71 PHE HA H 71 4.528 4.002 0.526 1
1 880 . 9 1 1 A 72 72 THR N N 72 114.000 119.155 -5.155 1
1 881 . 9 1 1 A 72 72 THR CA C 72 59.491 63.132 -3.641 1
1 882 . 9 1 1 A 72 72 THR CB C 72 70.623 68.674 1.949 1
1 884 . 9 1 1 A 72 72 THR C C 72 172.834 174.007 -1.173 1
1 885 . 9 1 1 A 72 72 THR H H 72 7.763 7.645 0.118 1
1 886 . 9 1 1 A 72 72 THR HA H 72 5.212 3.905 1.307 1
1 889 . 9 1 1 A 73 73 PHE N N 73 120.900 126.279 -5.379 1
1 890 . 9 1 1 A 73 73 PHE CA C 73 56.071 56.437 -0.366 1
1 891 . 9 1 1 A 73 73 PHE CB C 73 41.570 38.998 2.572 1
1 892 . 9 1 1 A 73 73 PHE C C 73 174.890 175.051 -0.161 1
1 893 . 9 1 1 A 73 73 PHE H H 73 8.983 8.894 0.089 1
1 894 . 9 1 1 A 73 73 PHE HA H 73 4.750 4.871 -0.121 1
1 897 . 9 1 1 A 74 74 LYS N N 74 127.500 125.168 2.332 1
1 898 . 9 1 1 A 74 74 LYS CA C 74 56.186 55.927 0.259 1
1 899 . 9 1 1 A 74 74 LYS CB C 74 30.577 30.656 -0.079 1
1 903 . 9 1 1 A 74 74 LYS C C 74 174.575 175.232 -0.657 1
1 904 . 9 1 1 A 74 74 LYS H H 74 9.063 8.812 0.251 1
1 905 . 9 1 1 A 74 74 LYS HA H 74 4.690 4.517 0.173 1
1 914 . 9 1 1 A 75 75 VAL N N 75 126.600 122.936 3.664 1
1 915 . 9 1 1 A 75 75 VAL CA C 75 57.737 58.283 -0.546 1
1 916 . 9 1 1 A 75 75 VAL CB C 75 35.160 34.946 0.214 1
1 919 . 9 1 1 A 75 75 VAL C C 75 171.500 174.050 -2.550 1
1 920 . 9 1 1 A 75 75 VAL H H 75 7.546 8.483 -0.937 1
1 921 . 9 1 1 A 75 75 VAL HA H 75 4.650 4.636 0.014 1
1 929 . 9 1 1 A 76 76 PRO CA C 76 62.476 62.768 -0.292 1
1 930 . 9 1 1 A 76 76 PRO CB C 76 32.143 32.705 -0.562 1
1 933 . 9 1 1 A 76 76 PRO C C 76 176.991 177.347 -0.356 1
1 934 . 9 1 1 A 76 76 PRO HA H 76 4.329 4.654 -0.325 1
1 941 . 9 1 1 A 77 77 TYR N N 77 128.500 126.519 1.981 1
1 942 . 9 1 1 A 77 77 TYR CA C 77 61.772 61.868 -0.096 1
1 943 . 9 1 1 A 77 77 TYR CB C 77 37.898 38.563 -0.665 1
1 944 . 9 1 1 A 77 77 TYR C C 77 177.516 177.427 0.089 1
1 945 . 9 1 1 A 77 77 TYR H H 77 8.626 9.043 -0.417 1
1 946 . 9 1 1 A 77 77 TYR HA H 77 3.403 3.933 -0.530 1
1 950 . 9 1 1 A 78 78 SER N N 78 110.600 114.233 -3.633 1
1 951 . 9 1 1 A 78 78 SER H H 78 8.509 8.607 -0.098 1
1 952 . 9 1 1 A 78 78 SER CA C 78 60.064 61.455 -1.391 1
1 953 . 9 1 1 A 78 78 SER CB C 78 62.022 62.453 -0.431 1
1 954 . 9 1 1 A 78 78 SER C C 78 175.292 176.435 -1.143 1
1 955 . 9 1 1 A 78 78 SER HA H 78 3.940 4.291 -0.351 1
1 958 . 9 1 1 A 79 79 GLU N N 79 119.000 121.702 -2.702 1
1 959 . 9 1 1 A 79 79 GLU CA C 79 55.273 57.066 -1.793 1
1 960 . 9 1 1 A 79 79 GLU CB C 79 30.302 29.601 0.701 1
1 962 . 9 1 1 A 79 79 GLU C C 79 177.218 178.955 -1.737 1
1 963 . 9 1 1 A 79 79 GLU H H 79 7.411 7.680 -0.269 1
1 964 . 9 1 1 A 79 79 GLU HA H 79 4.280 4.234 0.046 1
1 969 . 9 1 1 A 80 80 LEU N N 80 121.600 122.075 -0.475 1
1 970 . 9 1 1 A 80 80 LEU CA C 80 57.376 57.767 -0.391 1
1 971 . 9 1 1 A 80 80 LEU CB C 80 41.916 41.536 0.380 1
1 975 . 9 1 1 A 80 80 LEU C C 80 177.098 178.304 -1.206 1
1 976 . 9 1 1 A 80 80 LEU H H 80 7.311 8.272 -0.961 1
1 977 . 9 1 1 A 80 80 LEU HA H 80 3.643 3.925 -0.282 1
1 987 . 9 1 1 A 81 81 GLY N N 81 102.900 106.839 -3.939 1
1 988 . 9 1 1 A 81 81 GLY CA C 81 46.638 47.212 -0.574 1
1 989 . 9 1 1 A 81 81 GLY C C 81 174.240 176.520 -2.280 1
1 990 . 9 1 1 A 81 81 GLY H H 81 7.860 8.171 -0.311 1
1 991 . 9 1 1 A 81 81 GLY HA3 H 81 3.744 3.647 0.097 1
1 992 . 9 1 1 A 81 81 GLY HA2 H 81 3.434 3.635 -0.201 1
1 993 . 9 1 1 A 82 82 GLY N N 82 105.900 108.702 -2.802 1
1 994 . 9 1 1 A 82 82 GLY CA C 82 44.289 47.035 -2.746 1
1 995 . 9 1 1 A 82 82 GLY C C 82 174.591 174.600 -0.009 1
1 996 . 9 1 1 A 82 82 GLY H H 82 7.396 7.848 -0.452 1
1 997 . 9 1 1 A 82 82 GLY HA3 H 82 4.267 3.790 0.477 1
1 998 . 9 1 1 A 82 82 GLY HA2 H 82 3.760 3.790 -0.030 1
1 999 . 9 1 1 A 83 83 LYS N N 83 119.000 119.051 -0.051 1
1 1000 . 9 1 1 A 83 83 LYS CA C 83 53.818 55.145 -1.327 1
1 1001 . 9 1 1 A 83 83 LYS CB C 83 33.814 33.485 0.329 1
1 1005 . 9 1 1 A 83 83 LYS H H 83 7.888 7.377 0.511 1
1 1006 . 9 1 1 A 83 83 LYS HA H 83 4.366 4.607 -0.241 1
1 1007 . 9 1 1 A 83 83 LYS C C 83 176.518 175.726 0.792 1
1 1015 . 9 1 1 A 84 84 THR N N 84 118.500 113.280 5.220 1
1 1016 . 9 1 1 A 84 84 THR CA C 84 61.914 60.764 1.150 1
1 1017 . 9 1 1 A 84 84 THR CB C 84 71.340 70.956 0.384 1
1 1019 . 9 1 1 A 84 84 THR C C 84 171.750 172.757 -1.007 1
1 1020 . 9 1 1 A 84 84 THR H H 84 8.248 8.785 -0.537 1
1 1021 . 9 1 1 A 84 84 THR HA H 84 4.638 5.331 -0.693 1
1 1024 . 9 1 1 A 85 85 LEU N N 85 130.500 127.426 3.074 1
1 1025 . 9 1 1 A 85 85 LEU CA C 85 53.982 54.130 -0.148 1
1 1026 . 9 1 1 A 85 85 LEU CB C 85 43.826 44.070 -0.244 1
1 1030 . 9 1 1 A 85 85 LEU C C 85 173.417 175.866 -2.449 1
1 1031 . 9 1 1 A 85 85 LEU H H 85 8.430 8.915 -0.485 1
1 1032 . 9 1 1 A 85 85 LEU HA H 85 4.417 4.615 -0.198 1
1 1042 . 9 1 1 A 86 86 VAL N N 86 127.723 122.415 5.308 1
1 1043 . 9 1 1 A 86 86 VAL CA C 86 61.206 58.552 2.654 1
1 1044 . 9 1 1 A 86 86 VAL CB C 86 31.856 32.980 -1.124 1
1 1047 . 9 1 1 A 86 86 VAL C C 86 173.599 173.839 -0.240 1
1 1048 . 9 1 1 A 86 86 VAL H H 86 8.771 8.932 -0.161 1
1 1049 . 9 1 1 A 86 86 VAL HA H 86 4.151 2.236 1.915 1
1 1057 . 9 1 1 A 87 87 MET N N 87 122.600 122.317 0.283 1
1 1058 . 9 1 1 A 87 87 MET CA C 87 53.654 54.317 -0.663 1
1 1059 . 9 1 1 A 87 87 MET CB C 87 31.288 35.527 -4.239 1
1 1061 . 9 1 1 A 87 87 MET C C 87 172.749 174.357 -1.608 1
1 1062 . 9 1 1 A 87 87 MET H H 87 7.503 7.833 -0.330 1
1 1063 . 9 1 1 A 87 87 MET HA H 87 4.706 4.794 -0.088 1
1 1068 . 9 1 1 A 88 88 ALA N N 88 124.200 125.844 -1.644 1
1 1069 . 9 1 1 A 88 88 ALA CA C 88 50.017 50.482 -0.465 1
1 1070 . 9 1 1 A 88 88 ALA CB C 88 23.107 20.788 2.319 1
1 1071 . 9 1 1 A 88 88 ALA C C 88 174.558 175.453 -0.895 1
1 1072 . 9 1 1 A 88 88 ALA H H 88 8.755 8.884 -0.129 1
1 1073 . 9 1 1 A 88 88 ALA HA H 88 4.948 5.147 -0.199 1
1 1077 . 9 1 1 A 89 89 VAL N N 89 122.900 123.971 -1.071 1
1 1078 . 9 1 1 A 89 89 VAL CA C 89 60.881 62.191 -1.310 1
1 1079 . 9 1 1 A 89 89 VAL CB C 89 31.541 31.698 -0.157 1
1 1082 . 9 1 1 A 89 89 VAL C C 89 173.707 175.410 -1.703 1
1 1083 . 9 1 1 A 89 89 VAL H H 89 8.813 8.989 -0.176 1
1 1084 . 9 1 1 A 89 89 VAL HA H 89 4.652 5.133 -0.481 1
1 1092 . 9 1 1 A 90 90 TYR N N 90 128.400 126.778 1.622 1
1 1093 . 9 1 1 A 90 90 TYR CA C 90 56.230 56.119 0.111 1
1 1094 . 9 1 1 A 90 90 TYR CB C 90 43.211 42.121 1.090 1
1 1095 . 9 1 1 A 90 90 TYR C C 90 173.024 174.405 -1.381 1
1 1096 . 9 1 1 A 90 90 TYR H H 90 9.067 10.135 -1.068 1
1 1097 . 9 1 1 A 90 90 TYR HA H 90 4.766 5.245 -0.479 1
1 1101 . 9 1 1 A 91 91 ASP N N 91 116.300 124.536 -8.236 1
1 1102 . 9 1 1 A 91 91 ASP CA C 91 51.800 52.732 -0.932 1
1 1103 . 9 1 1 A 91 91 ASP CB C 91 42.265 42.745 -0.480 1
1 1104 . 9 1 1 A 91 91 ASP C C 91 175.823 175.435 0.388 1
1 1105 . 9 1 1 A 91 91 ASP H H 91 8.700 9.023 -0.323 1
1 1106 . 9 1 1 A 91 91 ASP HA H 91 5.098 5.233 -0.135 1
1 1109 . 9 1 1 A 92 92 PHE N N 92 128.100 127.506 0.594 1
1 1110 . 9 1 1 A 92 92 PHE CA C 92 58.830 56.794 2.036 1
1 1111 . 9 1 1 A 92 92 PHE CB C 92 31.850 38.903 -7.053 1
1 1112 . 9 1 1 A 92 92 PHE C C 92 173.437 175.801 -2.364 1
1 1113 . 9 1 1 A 92 92 PHE H H 92 9.540 8.744 0.796 1
1 1114 . 9 1 1 A 92 92 PHE HA H 92 4.480 4.587 -0.107 1
1 1117 . 9 1 1 A 93 93 ASP N N 93 122.100 123.898 -1.798 1
1 1118 . 9 1 1 A 93 93 ASP CA C 93 53.701 52.976 0.725 1
1 1119 . 9 1 1 A 93 93 ASP CB C 93 41.736 39.597 2.139 1
1 1120 . 9 1 1 A 93 93 ASP C C 93 175.548 175.584 -0.036 1
1 1121 . 9 1 1 A 93 93 ASP H H 93 7.812 8.440 -0.628 1
1 1122 . 9 1 1 A 93 93 ASP HA H 93 4.480 4.653 -0.173 1
1 1125 . 9 1 1 A 94 94 ARG N N 94 121.500 113.005 8.495 1
1 1126 . 9 1 1 A 94 94 ARG CA C 94 56.142 56.760 -0.618 1
1 1127 . 9 1 1 A 94 94 ARG CB C 94 30.173 27.410 2.763 1
1 1129 . 9 1 1 A 94 94 ARG C C 94 175.795 175.212 0.583 1
1 1130 . 9 1 1 A 94 94 ARG H H 94 8.264 6.797 1.467 1
1 1131 . 9 1 1 A 94 94 ARG HA H 94 4.000 2.806 1.194 1
1 1138 . 9 1 1 A 95 95 PHE N N 95 118.600 117.817 0.783 1
1 1139 . 9 1 1 A 95 95 PHE CA C 95 59.850 59.055 0.795 1
1 1140 . 9 1 1 A 95 95 PHE CB C 95 38.955 40.755 -1.800 1
1 1141 . 9 1 1 A 95 95 PHE C C 95 172.969 175.346 -2.377 1
1 1142 . 9 1 1 A 95 95 PHE H H 95 6.889 7.668 -0.779 1
1 1143 . 9 1 1 A 95 95 PHE HA H 95 4.373 4.547 -0.174 1
1 1146 . 9 1 1 A 96 96 SER N N 96 114.200 111.230 2.970 1
1 1147 . 9 1 1 A 96 96 SER H H 96 8.027 7.834 0.193 1
1 1148 . 9 1 1 A 96 96 SER CA C 96 57.596 56.399 1.197 1
1 1149 . 9 1 1 A 96 96 SER CB C 96 63.494 65.181 -1.687 1
1 1150 . 9 1 1 A 96 96 SER C C 96 174.149 174.007 0.142 1
1 1151 . 9 1 1 A 96 96 SER HA H 96 4.220 4.689 -0.469 1
1 1154 . 9 1 1 A 97 97 LYS N N 97 121.600 121.892 -0.292 1
1 1155 . 9 1 1 A 97 97 LYS CA C 97 58.206 55.326 2.880 1
1 1156 . 9 1 1 A 97 97 LYS CB C 97 31.860 32.952 -1.092 1
1 1159 . 9 1 1 A 97 97 LYS H H 97 8.264 8.422 -0.158 1
1 1160 . 9 1 1 A 97 97 LYS HA H 97 4.202 5.211 -1.009 1
1 1161 . 9 1 1 A 97 97 LYS C C 97 175.599 175.288 0.311 1
1 1170 . 9 1 1 A 98 98 HIS N N 98 119.000 121.894 -2.894 1
1 1171 . 9 1 1 A 98 98 HIS CA C 98 54.159 54.413 -0.254 1
1 1172 . 9 1 1 A 98 98 HIS CB C 98 30.040 30.986 -0.946 1
1 1173 . 9 1 1 A 98 98 HIS C C 98 174.050 173.751 0.299 1
1 1174 . 9 1 1 A 98 98 HIS H H 98 8.350 8.072 0.278 1
1 1175 . 9 1 1 A 98 98 HIS HA H 98 4.784 5.134 -0.350 1
1 1178 . 9 1 1 A 99 99 ASP N N 99 122.600 123.042 -0.442 1
1 1179 . 9 1 1 A 99 99 ASP CA C 99 53.806 53.001 0.805 1
1 1180 . 9 1 1 A 99 99 ASP CB C 99 41.074 40.389 0.685 1
1 1181 . 9 1 1 A 99 99 ASP C C 99 174.346 174.096 0.250 1
1 1182 . 9 1 1 A 99 99 ASP H H 99 8.812 8.805 0.007 1
1 1183 . 9 1 1 A 99 99 ASP HA H 99 4.781 5.177 -0.396 1
1 1186 . 9 1 1 A 100 100 ILE N N 100 122.400 125.643 -3.243 1
1 1187 . 9 1 1 A 100 100 ILE CA C 100 60.989 60.660 0.329 1
1 1188 . 9 1 1 A 100 100 ILE CB C 100 38.823 38.329 0.494 1
1 1192 . 9 1 1 A 100 100 ILE C C 100 174.431 174.744 -0.313 1
1 1193 . 9 1 1 A 100 100 ILE H H 100 8.075 8.401 -0.326 1
1 1194 . 9 1 1 A 100 100 ILE HA H 100 3.405 4.240 -0.835 1
1 1204 . 9 1 1 A 101 101 ILE N N 101 127.400 130.669 -3.269 1
1 1205 . 9 1 1 A 101 101 ILE CA C 101 63.380 63.310 0.070 1
1 1206 . 9 1 1 A 101 101 ILE CB C 101 38.058 38.607 -0.549 1
1 1210 . 9 1 1 A 101 101 ILE C C 101 175.859 176.421 -0.562 1
1 1211 . 9 1 1 A 101 101 ILE H H 101 9.219 8.884 0.335 1
1 1212 . 9 1 1 A 101 101 ILE HA H 101 3.869 4.140 -0.271 1
1 1219 . 9 1 1 A 102 102 GLY N N 102 101.500 105.159 -3.659 1
1 1220 . 9 1 1 A 102 102 GLY CA C 102 45.259 46.170 -0.911 1
1 1221 . 9 1 1 A 102 102 GLY C C 102 169.614 171.557 -1.943 1
1 1222 . 9 1 1 A 102 102 GLY H H 102 7.241 7.963 -0.722 1
1 1223 . 9 1 1 A 102 102 GLY HA3 H 102 4.024 4.199 -0.175 1
1 1224 . 9 1 1 A 102 102 GLY HA2 H 102 3.811 4.189 -0.378 1
1 1225 . 9 1 1 A 103 103 GLU N N 103 117.100 120.193 -3.093 1
1 1226 . 9 1 1 A 103 103 GLU CA C 103 54.229 55.681 -1.452 1
1 1227 . 9 1 1 A 103 103 GLU CB C 103 34.012 33.565 0.447 1
1 1229 . 9 1 1 A 103 103 GLU C C 103 173.993 174.700 -0.707 1
1 1230 . 9 1 1 A 103 103 GLU H H 103 9.499 8.697 0.802 1
1 1231 . 9 1 1 A 103 103 GLU HA H 103 5.513 5.160 0.353 1
1 1236 . 9 1 1 A 104 104 PHE N N 104 115.900 117.997 -2.097 1
1 1237 . 9 1 1 A 104 104 PHE CA C 104 58.037 55.191 2.846 1
1 1238 . 9 1 1 A 104 104 PHE CB C 104 41.030 42.422 -1.392 1
1 1239 . 9 1 1 A 104 104 PHE C C 104 171.749 173.091 -1.342 1
1 1240 . 9 1 1 A 104 104 PHE H H 104 8.525 8.831 -0.306 1
1 1241 . 9 1 1 A 104 104 PHE HA H 104 4.731 5.763 -1.032 1
1 1244 . 9 1 1 A 105 105 LYS N N 105 118.900 120.580 -1.680 1
1 1245 . 9 1 1 A 105 105 LYS CA C 105 53.771 54.783 -1.012 1
1 1246 . 9 1 1 A 105 105 LYS CB C 105 34.953 35.359 -0.406 1
1 1250 . 9 1 1 A 105 105 LYS H H 105 7.805 8.707 -0.902 1
1 1251 . 9 1 1 A 105 105 LYS HA H 105 5.188 4.641 0.547 1
1 1252 . 9 1 1 A 105 105 LYS C C 105 175.389 174.880 0.509 1
1 1261 . 9 1 1 A 106 106 VAL N N 106 121.400 126.066 -4.666 1
1 1262 . 9 1 1 A 106 106 VAL CA C 106 58.522 59.308 -0.786 1
1 1263 . 9 1 1 A 106 106 VAL CB C 106 34.050 34.169 -0.119 1
1 1266 . 9 1 1 A 106 106 VAL C C 106 173.300 174.108 -0.808 1
1 1267 . 9 1 1 A 106 106 VAL H H 106 9.276 8.975 0.301 1
1 1268 . 9 1 1 A 106 106 VAL HA H 106 4.430 4.738 -0.308 1
1 1276 . 9 1 1 A 107 107 PRO CA C 107 62.265 62.631 -0.366 1
1 1277 . 9 1 1 A 107 107 PRO CB C 107 31.157 31.718 -0.561 1
1 1280 . 9 1 1 A 107 107 PRO C C 107 178.967 178.547 0.420 1
1 1281 . 9 1 1 A 107 107 PRO HA H 107 4.703 4.736 -0.033 1
1 1288 . 9 1 1 A 108 108 MET N N 108 126.300 125.107 1.193 1
1 1289 . 9 1 1 A 108 108 MET CA C 108 56.728 58.093 -1.365 1
1 1290 . 9 1 1 A 108 108 MET CB C 108 32.909 32.109 0.800 1
1 1292 . 9 1 1 A 108 108 MET C C 108 176.858 178.313 -1.455 1
1 1293 . 9 1 1 A 108 108 MET H H 108 8.716 8.322 0.394 1
1 1294 . 9 1 1 A 108 108 MET HA H 108 4.483 4.310 0.173 1
1 1299 . 9 1 1 A 109 109 ASN N N 109 115.600 116.742 -1.142 1
1 1300 . 9 1 1 A 109 109 ASN CA C 109 53.983 55.565 -1.582 1
1 1301 . 9 1 1 A 109 109 ASN CB C 109 36.227 37.171 -0.944 1
1 1302 . 9 1 1 A 109 109 ASN C C 109 175.789 176.690 -0.901 1
1 1303 . 9 1 1 A 109 109 ASN H H 109 8.342 8.737 -0.395 1
1 1304 . 9 1 1 A 109 109 ASN HA H 109 4.564 4.338 0.226 1
1 1310 . 9 1 1 A 110 110 THR N N 110 107.600 111.474 -3.874 1
1 1311 . 9 1 1 A 110 110 THR CA C 110 61.115 63.405 -2.290 1
1 1312 . 9 1 1 A 110 110 THR CB C 110 62.929 69.836 -6.907 1
1 1314 . 9 1 1 A 110 110 THR C C 110 173.508 174.423 -0.915 1
1 1315 . 9 1 1 A 110 110 THR H H 110 7.522 7.523 -0.001 1
1 1316 . 9 1 1 A 110 110 THR HA H 110 4.461 4.327 0.134 1
1 1319 . 9 1 1 A 111 111 VAL N N 111 123.700 120.080 3.620 1
1 1320 . 9 1 1 A 111 111 VAL CA C 111 61.782 61.791 -0.009 1
1 1321 . 9 1 1 A 111 111 VAL CB C 111 32.821 32.364 0.457 1
1 1324 . 9 1 1 A 111 111 VAL C C 111 173.903 174.651 -0.748 1
1 1325 . 9 1 1 A 111 111 VAL H H 111 6.960 7.275 -0.315 1
1 1326 . 9 1 1 A 111 111 VAL HA H 111 3.703 4.089 -0.386 1
1 1334 . 9 1 1 A 112 112 ASP N N 112 125.800 127.959 -2.159 1
1 1335 . 9 1 1 A 112 112 ASP CA C 112 51.777 53.470 -1.693 1
1 1336 . 9 1 1 A 112 112 ASP CB C 112 40.648 40.891 -0.243 1
1 1337 . 9 1 1 A 112 112 ASP C C 112 175.407 175.375 0.032 1
1 1338 . 9 1 1 A 112 112 ASP H H 112 8.341 8.869 -0.528 1
1 1339 . 9 1 1 A 112 112 ASP HA H 112 4.719 4.928 -0.209 1
1 1342 . 9 1 1 A 113 113 PHE N N 113 122.700 125.369 -2.669 1
1 1343 . 9 1 1 A 113 113 PHE CA C 113 59.887 55.965 3.922 1
1 1344 . 9 1 1 A 113 113 PHE CB C 113 37.999 36.918 1.081 1
1 1345 . 9 1 1 A 113 113 PHE C C 113 175.854 176.577 -0.723 1
1 1346 . 9 1 1 A 113 113 PHE H H 113 8.391 9.202 -0.811 1
1 1347 . 9 1 1 A 113 113 PHE HA H 113 4.670 4.809 -0.139 1
1 1350 . 9 1 1 A 114 114 GLY N N 114 108.608 109.115 -0.507 1
1 1351 . 9 1 1 A 114 114 GLY CA C 114 45.657 46.977 -1.320 1
1 1352 . 9 1 1 A 114 114 GLY C C 114 172.963 175.912 -2.949 1
1 1353 . 9 1 1 A 114 114 GLY H H 114 8.953 8.521 0.432 1
1 1354 . 9 1 1 A 114 114 GLY HA3 H 114 4.018 3.356 0.662 1
1 1355 . 9 1 1 A 114 114 GLY HA2 H 114 3.912 3.308 0.604 1
1 1356 . 9 1 1 A 115 115 HIS N N 115 114.926 119.269 -4.343 1
1 1357 . 9 1 1 A 115 115 HIS CA C 115 53.533 56.128 -2.595 1
1 1358 . 9 1 1 A 115 115 HIS CB C 115 30.349 30.825 -0.476 1
1 1359 . 9 1 1 A 115 115 HIS C C 115 172.453 173.895 -1.442 1
1 1360 . 9 1 1 A 115 115 HIS H H 115 7.510 7.893 -0.383 1
1 1361 . 9 1 1 A 115 115 HIS HA H 115 4.868 4.924 -0.056 1
1 1364 . 9 1 1 A 116 116 VAL N N 116 122.100 118.128 3.972 1
1 1365 . 9 1 1 A 116 116 VAL CA C 116 62.992 61.280 1.712 1
1 1366 . 9 1 1 A 116 116 VAL CB C 116 31.850 33.925 -2.075 1
1 1369 . 9 1 1 A 116 116 VAL C C 116 176.352 174.970 1.382 1
1 1370 . 9 1 1 A 116 116 VAL H H 116 8.460 8.048 0.412 1
1 1371 . 9 1 1 A 116 116 VAL HA H 116 4.268 4.960 -0.692 1
1 1379 . 9 1 1 A 117 117 THR N N 117 124.700 124.340 0.360 1
1 1380 . 9 1 1 A 117 117 THR CA C 117 61.694 62.052 -0.358 1
1 1381 . 9 1 1 A 117 117 THR CB C 117 70.001 68.495 1.506 1
1 1383 . 9 1 1 A 117 117 THR C C 117 172.762 173.653 -0.891 1
1 1384 . 9 1 1 A 117 117 THR H H 117 8.550 9.623 -1.073 1
1 1385 . 9 1 1 A 117 117 THR HA H 117 4.460 4.657 -0.197 1
1 1388 . 9 1 1 A 118 118 GLU N N 118 126.000 125.510 0.490 1
1 1389 . 9 1 1 A 118 118 GLU CA C 118 55.038 55.144 -0.106 1
1 1390 . 9 1 1 A 118 118 GLU CB C 118 30.835 30.695 0.140 1
1 1392 . 9 1 1 A 118 118 GLU C C 118 174.419 174.757 -0.338 1
1 1393 . 9 1 1 A 118 118 GLU H H 118 8.382 8.756 -0.374 1
1 1394 . 9 1 1 A 118 118 GLU HA H 118 4.776 5.036 -0.260 1
1 1399 . 9 1 1 A 119 119 GLU N N 119 123.000 121.203 1.797 1
1 1400 . 9 1 1 A 119 119 GLU CA C 119 54.292 54.593 -0.301 1
1 1401 . 9 1 1 A 119 119 GLU CB C 119 32.909 33.097 -0.188 1
1 1403 . 9 1 1 A 119 119 GLU C C 119 173.072 174.158 -1.086 1
1 1404 . 9 1 1 A 119 119 GLU H H 119 8.057 8.820 -0.763 1
1 1405 . 9 1 1 A 119 119 GLU HA H 119 4.631 4.177 0.454 1
1 1410 . 9 1 1 A 120 120 TRP N N 120 118.300 121.970 -3.670 1
1 1411 . 9 1 1 A 120 120 TRP C C 120 177.336 175.329 2.007 1
1 1412 . 9 1 1 A 120 120 TRP CA C 120 55.672 56.626 -0.954 1
1 1413 . 9 1 1 A 120 120 TRP CB C 120 31.259 29.718 1.541 1
1 1414 . 9 1 1 A 120 120 TRP H H 120 8.212 8.251 -0.039 1
1 1415 . 9 1 1 A 120 120 TRP HA H 120 5.322 5.199 0.123 1
1 1424 . 9 1 1 A 121 121 ARG N N 121 120.900 126.634 -5.734 1
1 1425 . 9 1 1 A 121 121 ARG CA C 121 53.631 54.165 -0.534 1
1 1426 . 9 1 1 A 121 121 ARG CB C 121 32.865 33.154 -0.289 1
1 1429 . 9 1 1 A 121 121 ARG C C 121 174.321 175.590 -1.269 1
1 1430 . 9 1 1 A 121 121 ARG H H 121 9.012 8.927 0.085 1
1 1431 . 9 1 1 A 121 121 ARG HA H 121 4.488 5.027 -0.539 1
1 1438 . 9 1 1 A 122 122 ASP N N 122 121.600 124.497 -2.897 1
1 1439 . 9 1 1 A 122 122 ASP CA C 122 53.795 53.230 0.565 1
1 1440 . 9 1 1 A 122 122 ASP CB C 122 40.544 42.201 -1.657 1
1 1441 . 9 1 1 A 122 122 ASP C C 122 176.041 175.452 0.589 1
1 1442 . 9 1 1 A 122 122 ASP H H 122 8.226 8.995 -0.769 1
1 1443 . 9 1 1 A 122 122 ASP HA H 122 4.791 5.304 -0.513 1
1 1446 . 9 1 1 A 123 123 LEU N N 123 120.700 125.619 -4.919 1
1 1447 . 9 1 1 A 123 123 LEU CA C 123 54.997 54.055 0.942 1
1 1448 . 9 1 1 A 123 123 LEU CB C 123 41.765 42.992 -1.227 1
1 1452 . 9 1 1 A 123 123 LEU C C 123 175.964 176.500 -0.536 1
1 1453 . 9 1 1 A 123 123 LEU H H 123 8.436 9.033 -0.597 1
1 1454 . 9 1 1 A 123 123 LEU HA H 123 4.125 5.275 -1.150 1
1 1464 . 9 1 1 A 124 124 GLN N N 124 119.200 124.274 -5.074 1
1 1466 . 9 1 1 A 124 124 GLN CA C 124 53.278 54.775 -1.497 1
1 1467 . 9 1 1 A 124 124 GLN CB C 124 31.232 30.820 0.412 1
1 1469 . 9 1 1 A 124 124 GLN C C 124 175.183 174.873 0.310 1
1 1470 . 9 1 1 A 124 124 GLN H H 124 9.020 9.088 -0.068 1
1 1471 . 9 1 1 A 124 124 GLN HA H 124 4.738 4.975 -0.237 1
1 1478 . 9 1 1 A 125 125 SER N N 125 115.300 118.360 -3.060 1
1 1479 . 9 1 1 A 125 125 SER H H 125 8.543 8.887 -0.344 1
1 1480 . 9 1 1 A 125 125 SER CA C 125 58.477 57.907 0.570 1
1 1481 . 9 1 1 A 125 125 SER CB C 125 63.274 63.395 -0.121 1
1 1482 . 9 1 1 A 125 125 SER C C 125 174.609 174.070 0.539 1
1 1483 . 9 1 1 A 125 125 SER HA H 125 4.235 4.742 -0.507 1
1 1486 . 9 1 1 A 126 126 ALA N N 126 126.900 129.773 -2.873 1
1 1487 . 9 1 1 A 126 126 ALA CA C 126 51.636 50.475 1.161 1
1 1488 . 9 1 1 A 126 126 ALA CB C 126 19.845 21.062 -1.217 1
1 1489 . 9 1 1 A 126 126 ALA C C 126 176.876 176.692 0.184 1
1 1490 . 9 1 1 A 126 126 ALA H H 126 8.640 8.967 -0.327 1
1 1491 . 9 1 1 A 126 126 ALA HA H 126 4.216 5.183 -0.967 1
1 1495 . 9 1 1 A 127 127 GLU N N 127 120.600 122.120 -1.520 1
1 1496 . 9 1 1 A 127 127 GLU CA C 127 56.142 55.288 0.854 1
1 1497 . 9 1 1 A 127 127 GLU CB C 127 29.996 29.675 0.321 1
1 1499 . 9 1 1 A 127 127 GLU C C 127 175.129 175.232 -0.103 1
1 1500 . 9 1 1 A 127 127 GLU H H 127 8.204 8.675 -0.471 1
1 1501 . 9 1 1 A 127 127 GLU HA H 127 4.176 4.503 -0.327 1
1 12 . 10 1 1 A 2 2 LYS N N 2 123.200 118.166 5.034 1
1 13 . 10 1 1 A 2 2 LYS CA C 2 55.550 55.235 0.315 1
1 14 . 10 1 1 A 2 2 LYS CB C 2 31.730 34.239 -2.509 1
1 18 . 10 1 1 A 2 2 LYS H H 2 8.320 8.732 -0.412 1
1 19 . 10 1 1 A 2 2 LYS C C 2 176.041 175.665 0.376 1
1 20 . 10 1 1 A 2 2 LYS HA H 2 4.413 4.866 -0.453 1
1 29 . 10 1 1 A 3 3 LEU N N 3 124.700 124.527 0.173 1
1 30 . 10 1 1 A 3 3 LEU CA C 3 53.800 55.578 -1.778 1
1 31 . 10 1 1 A 3 3 LEU CB C 3 43.351 43.011 0.340 1
1 35 . 10 1 1 A 3 3 LEU C C 3 173.289 176.839 -3.550 1
1 36 . 10 1 1 A 3 3 LEU H H 3 8.319 9.142 -0.823 1
1 37 . 10 1 1 A 3 3 LEU HA H 3 4.363 4.398 -0.035 1
1 47 . 10 1 1 A 4 4 GLY N N 4 102.100 105.942 -3.842 1
1 48 . 10 1 1 A 4 4 GLY CA C 4 44.232 44.473 -0.241 1
1 49 . 10 1 1 A 4 4 GLY C C 4 174.476 172.941 1.535 1
1 50 . 10 1 1 A 4 4 GLY H H 4 7.412 7.827 -0.415 1
1 51 . 10 1 1 A 4 4 GLY HA3 H 4 4.367 4.034 0.333 1
1 52 . 10 1 1 A 4 4 GLY HA2 H 4 3.662 4.033 -0.371 1
1 53 . 10 1 1 A 5 5 LYS N N 5 114.993 120.540 -5.547 1
1 54 . 10 1 1 A 5 5 LYS CA C 5 54.807 54.461 0.346 1
1 55 . 10 1 1 A 5 5 LYS CB C 5 36.664 36.789 -0.125 1
1 59 . 10 1 1 A 5 5 LYS C C 5 173.762 174.745 -0.983 1
1 60 . 10 1 1 A 5 5 LYS H H 5 8.748 8.290 0.458 1
1 61 . 10 1 1 A 5 5 LYS HA H 5 5.333 5.169 0.164 1
1 70 . 10 1 1 A 6 6 LEU N N 6 122.195 123.831 -1.636 1
1 71 . 10 1 1 A 6 6 LEU CA C 6 53.760 54.171 -0.411 1
1 72 . 10 1 1 A 6 6 LEU CB C 6 47.948 44.975 2.973 1
1 76 . 10 1 1 A 6 6 LEU C C 6 172.524 175.473 -2.949 1
1 77 . 10 1 1 A 6 6 LEU H H 6 9.058 9.397 -0.339 1
1 78 . 10 1 1 A 6 6 LEU HA H 6 5.312 5.340 -0.028 1
1 88 . 10 1 1 A 7 7 GLN N N 7 127.800 125.933 1.867 1
1 90 . 10 1 1 A 7 7 GLN CA C 7 52.595 55.260 -2.665 1
1 91 . 10 1 1 A 7 7 GLN CB C 7 28.032 29.650 -1.618 1
1 93 . 10 1 1 A 7 7 GLN C C 7 173.707 175.075 -1.368 1
1 94 . 10 1 1 A 7 7 GLN H H 7 8.945 8.683 0.262 1
1 95 . 10 1 1 A 7 7 GLN HA H 7 5.170 4.826 0.344 1
1 102 . 10 1 1 A 8 8 TYR N N 8 125.700 118.798 6.902 1
1 103 . 10 1 1 A 8 8 TYR CA C 8 54.578 55.713 -1.135 1
1 104 . 10 1 1 A 8 8 TYR CB C 8 42.236 41.993 0.243 1
1 105 . 10 1 1 A 8 8 TYR C C 8 171.582 173.242 -1.660 1
1 106 . 10 1 1 A 8 8 TYR H H 8 8.445 8.936 -0.491 1
1 107 . 10 1 1 A 8 8 TYR HA H 8 5.401 5.625 -0.224 1
1 110 . 10 1 1 A 9 9 SER N N 9 113.300 114.502 -1.202 1
1 111 . 10 1 1 A 9 9 SER H H 9 9.486 8.814 0.672 1
1 112 . 10 1 1 A 9 9 SER CA C 9 55.195 56.824 -1.629 1
1 113 . 10 1 1 A 9 9 SER CB C 9 67.116 65.907 1.209 1
1 114 . 10 1 1 A 9 9 SER C C 9 173.486 173.441 0.045 1
1 115 . 10 1 1 A 9 9 SER HA H 9 5.400 5.928 -0.528 1
1 118 . 10 1 1 A 10 10 LEU N N 10 120.700 126.835 -6.135 1
1 119 . 10 1 1 A 10 10 LEU CA C 10 53.388 53.416 -0.028 1
1 120 . 10 1 1 A 10 10 LEU CB C 10 46.946 44.756 2.190 1
1 121 . 10 1 1 A 10 10 LEU C C 10 174.640 175.111 -0.471 1
1 125 . 10 1 1 A 10 10 LEU H H 10 8.698 9.466 -0.768 1
1 126 . 10 1 1 A 10 10 LEU HA H 10 5.471 5.278 0.193 1
1 136 . 10 1 1 A 11 11 ASP N N 11 119.760 125.564 -5.804 1
1 137 . 10 1 1 A 11 11 ASP CA C 11 52.525 52.855 -0.330 1
1 138 . 10 1 1 A 11 11 ASP CB C 11 44.683 45.404 -0.721 1
1 139 . 10 1 1 A 11 11 ASP C C 11 173.093 174.269 -1.176 1
1 140 . 10 1 1 A 11 11 ASP H H 11 8.673 9.520 -0.847 1
1 141 . 10 1 1 A 11 11 ASP HA H 11 5.126 5.693 -0.567 1
1 144 . 10 1 1 A 12 12 TYR N N 12 124.200 117.701 6.499 1
1 145 . 10 1 1 A 12 12 TYR CA C 12 57.883 55.657 2.226 1
1 146 . 10 1 1 A 12 12 TYR CB C 12 40.054 41.906 -1.852 1
1 147 . 10 1 1 A 12 12 TYR C C 12 171.962 172.439 -0.477 1
1 148 . 10 1 1 A 12 12 TYR H H 12 8.898 9.234 -0.336 1
1 149 . 10 1 1 A 12 12 TYR HA H 12 4.609 5.534 -0.925 1
1 154 . 10 1 1 A 13 13 ASP N N 13 126.400 123.245 3.155 1
1 155 . 10 1 1 A 13 13 ASP CA C 13 51.141 52.561 -1.420 1
1 156 . 10 1 1 A 13 13 ASP CB C 13 40.891 41.145 -0.254 1
1 157 . 10 1 1 A 13 13 ASP C C 13 175.599 176.497 -0.898 1
1 158 . 10 1 1 A 13 13 ASP H H 13 8.018 8.489 -0.471 1
1 159 . 10 1 1 A 13 13 ASP HA H 13 4.591 4.587 0.004 1
1 162 . 10 1 1 A 14 14 PHE N N 14 123.575 124.325 -0.750 1
1 163 . 10 1 1 A 14 14 PHE CA C 14 60.734 58.454 2.280 1
1 164 . 10 1 1 A 14 14 PHE CB C 14 38.821 38.824 -0.003 1
1 165 . 10 1 1 A 14 14 PHE C C 14 176.704 176.221 0.483 1
1 166 . 10 1 1 A 14 14 PHE H H 14 8.540 7.890 0.650 1
1 167 . 10 1 1 A 14 14 PHE HA H 14 4.187 4.591 -0.404 1
1 170 . 10 1 1 A 15 15 GLN N N 15 118.500 117.123 1.377 1
1 172 . 10 1 1 A 15 15 GLN CA C 15 57.927 55.921 2.006 1
1 173 . 10 1 1 A 15 15 GLN CB C 15 28.129 27.631 0.498 1
1 175 . 10 1 1 A 15 15 GLN C C 15 176.646 176.796 -0.150 1
1 176 . 10 1 1 A 15 15 GLN H H 15 8.307 7.306 1.001 1
1 177 . 10 1 1 A 15 15 GLN HA H 15 4.150 4.172 -0.022 1
1 184 . 10 1 1 A 16 16 ASN N N 16 113.392 116.437 -3.045 1
1 185 . 10 1 1 A 16 16 ASN CA C 16 52.051 51.830 0.221 1
1 186 . 10 1 1 A 16 16 ASN CB C 16 39.238 38.068 1.170 1
1 187 . 10 1 1 A 16 16 ASN C C 16 173.191 175.144 -1.953 1
1 188 . 10 1 1 A 16 16 ASN H H 16 7.347 7.451 -0.104 1
1 189 . 10 1 1 A 16 16 ASN HA H 16 4.682 4.662 0.020 1
1 195 . 10 1 1 A 17 17 ASN N N 17 118.200 116.061 2.139 1
1 196 . 10 1 1 A 17 17 ASN CA C 17 54.524 54.423 0.101 1
1 197 . 10 1 1 A 17 17 ASN CB C 17 36.825 37.071 -0.246 1
1 198 . 10 1 1 A 17 17 ASN C C 17 175.797 173.724 2.073 1
1 199 . 10 1 1 A 17 17 ASN H H 17 7.682 8.013 -0.331 1
1 200 . 10 1 1 A 17 17 ASN HA H 17 4.300 4.463 -0.163 1
1 206 . 10 1 1 A 18 18 GLN N N 18 110.518 113.097 -2.579 1
1 208 . 10 1 1 A 18 18 GLN CA C 18 52.888 54.034 -1.146 1
1 209 . 10 1 1 A 18 18 GLN CB C 18 31.353 31.537 -0.184 1
1 211 . 10 1 1 A 18 18 GLN C C 18 171.717 173.953 -2.236 1
1 212 . 10 1 1 A 18 18 GLN H H 18 6.757 7.796 -1.039 1
1 213 . 10 1 1 A 18 18 GLN HA H 18 4.911 4.987 -0.076 1
1 220 . 10 1 1 A 19 19 LEU N N 19 124.400 124.210 0.190 1
1 221 . 10 1 1 A 19 19 LEU CA C 19 53.873 54.223 -0.350 1
1 222 . 10 1 1 A 19 19 LEU CB C 19 44.558 42.483 2.075 1
1 226 . 10 1 1 A 19 19 LEU C C 19 173.731 176.034 -2.303 1
1 227 . 10 1 1 A 19 19 LEU H H 19 9.048 8.384 0.664 1
1 228 . 10 1 1 A 19 19 LEU HA H 19 4.543 4.576 -0.033 1
1 238 . 10 1 1 A 20 20 LEU N N 20 128.415 121.619 6.796 1
1 239 . 10 1 1 A 20 20 LEU CA C 20 53.695 54.214 -0.519 1
1 240 . 10 1 1 A 20 20 LEU CB C 20 41.956 45.860 -3.904 1
1 244 . 10 1 1 A 20 20 LEU C C 20 175.696 174.438 1.258 1
1 245 . 10 1 1 A 20 20 LEU H H 20 9.021 9.091 -0.070 1
1 246 . 10 1 1 A 20 20 LEU HA H 20 4.852 4.840 0.012 1
1 256 . 10 1 1 A 21 21 VAL N N 21 125.838 122.602 3.236 1
1 257 . 10 1 1 A 21 21 VAL CA C 21 60.511 60.463 0.048 1
1 258 . 10 1 1 A 21 21 VAL CB C 21 45.331 31.919 13.412 1
1 260 . 10 1 1 A 21 21 VAL C C 21 173.979 174.691 -0.712 1
1 261 . 10 1 1 A 21 21 VAL H H 21 9.073 9.005 0.068 1
1 262 . 10 1 1 A 21 21 VAL HA H 21 4.853 4.775 0.078 1
1 270 . 10 1 1 A 22 22 GLY N N 22 117.254 112.378 4.876 1
1 271 . 10 1 1 A 22 22 GLY CA C 22 43.843 45.820 -1.977 1
1 272 . 10 1 1 A 22 22 GLY C C 22 172.485 174.663 -2.178 1
1 273 . 10 1 1 A 22 22 GLY H H 22 9.486 8.523 0.963 1
1 274 . 10 1 1 A 22 22 GLY HA3 H 22 4.653 4.050 0.603 1
1 275 . 10 1 1 A 22 22 GLY HA2 H 22 3.520 4.041 -0.521 1
1 276 . 10 1 1 A 23 23 ILE N N 23 125.106 123.185 1.921 1
1 277 . 10 1 1 A 23 23 ILE CA C 23 58.182 60.345 -2.163 1
1 278 . 10 1 1 A 23 23 ILE CB C 23 35.290 38.686 -3.396 1
1 282 . 10 1 1 A 23 23 ILE C C 23 174.346 176.137 -1.791 1
1 283 . 10 1 1 A 23 23 ILE H H 23 8.831 8.656 0.175 1
1 284 . 10 1 1 A 23 23 ILE HA H 23 4.330 4.672 -0.342 1
1 294 . 10 1 1 A 24 24 ILE N N 24 126.735 120.920 5.815 1
1 295 . 10 1 1 A 24 24 ILE CA C 24 65.005 62.725 2.280 1
1 296 . 10 1 1 A 24 24 ILE CB C 24 37.790 39.009 -1.219 1
1 300 . 10 1 1 A 24 24 ILE C C 24 177.149 176.229 0.920 1
1 301 . 10 1 1 A 24 24 ILE H H 24 8.365 8.735 -0.370 1
1 302 . 10 1 1 A 24 24 ILE HA H 24 3.903 4.373 -0.470 1
1 312 . 10 1 1 A 25 25 GLN N N 25 110.662 114.973 -4.311 1
1 314 . 10 1 1 A 25 25 GLN CA C 25 54.295 54.679 -0.384 1
1 315 . 10 1 1 A 25 25 GLN CB C 25 30.953 32.169 -1.216 1
1 317 . 10 1 1 A 25 25 GLN C C 25 171.152 172.993 -1.841 1
1 318 . 10 1 1 A 25 25 GLN H H 25 7.706 7.425 0.281 1
1 319 . 10 1 1 A 25 25 GLN HA H 25 5.123 4.857 0.266 1
1 325 . 10 1 1 A 26 26 ALA N N 26 121.300 122.640 -1.340 1
1 326 . 10 1 1 A 26 26 ALA CA C 26 49.951 49.898 0.053 1
1 327 . 10 1 1 A 26 26 ALA CB C 26 22.406 23.051 -0.645 1
1 328 . 10 1 1 A 26 26 ALA C C 26 171.937 175.531 -3.594 1
1 329 . 10 1 1 A 26 26 ALA H H 26 9.195 8.852 0.343 1
1 330 . 10 1 1 A 26 26 ALA HA H 26 5.740 6.185 -0.445 1
1 334 . 10 1 1 A 27 27 ALA N N 27 120.100 121.347 -1.247 1
1 335 . 10 1 1 A 27 27 ALA CA C 27 50.524 50.500 0.024 1
1 336 . 10 1 1 A 27 27 ALA CB C 27 24.047 21.199 2.848 1
1 337 . 10 1 1 A 27 27 ALA C C 27 174.984 176.858 -1.874 1
1 338 . 10 1 1 A 27 27 ALA H H 27 9.118 8.733 0.385 1
1 339 . 10 1 1 A 27 27 ALA HA H 27 5.353 4.821 0.532 1
1 343 . 10 1 1 A 28 28 GLU N N 28 112.600 119.750 -7.150 1
1 344 . 10 1 1 A 28 28 GLU CA C 28 56.032 57.330 -1.298 1
1 345 . 10 1 1 A 28 28 GLU CB C 28 25.966 27.528 -1.562 1
1 347 . 10 1 1 A 28 28 GLU C C 28 174.427 175.713 -1.286 1
1 348 . 10 1 1 A 28 28 GLU H H 28 8.453 8.761 -0.308 1
1 349 . 10 1 1 A 28 28 GLU HA H 28 3.648 3.814 -0.166 1
1 354 . 10 1 1 A 29 29 LEU N N 29 116.093 120.653 -4.560 1
1 355 . 10 1 1 A 29 29 LEU CA C 29 53.295 52.740 0.555 1
1 356 . 10 1 1 A 29 29 LEU CB C 29 39.640 41.759 -2.119 1
1 360 . 10 1 1 A 29 29 LEU C C 29 173.800 174.662 -0.862 1
1 361 . 10 1 1 A 29 29 LEU H H 29 7.951 8.657 -0.706 1
1 362 . 10 1 1 A 29 29 LEU HA H 29 4.330 4.537 -0.207 1
1 372 . 10 1 1 A 30 30 PRO CA C 30 61.760 63.167 -1.407 1
1 373 . 10 1 1 A 30 30 PRO CB C 30 31.492 32.203 -0.711 1
1 376 . 10 1 1 A 30 30 PRO C C 30 175.525 176.270 -0.745 1
1 377 . 10 1 1 A 30 30 PRO HA H 30 4.327 4.411 -0.084 1
1 383 . 10 1 1 A 31 31 ALA N N 31 122.487 125.103 -2.616 1
1 384 . 10 1 1 A 31 31 ALA CA C 31 50.604 51.635 -1.031 1
1 385 . 10 1 1 A 31 31 ALA CB C 31 18.576 20.379 -1.803 1
1 386 . 10 1 1 A 31 31 ALA C C 31 177.222 178.418 -1.196 1
1 387 . 10 1 1 A 31 31 ALA H H 31 8.128 8.412 -0.284 1
1 388 . 10 1 1 A 31 31 ALA HA H 31 4.130 4.770 -0.640 1
1 392 . 10 1 1 A 32 32 LEU N N 32 124.400 118.448 5.952 1
1 393 . 10 1 1 A 32 32 LEU CA C 32 55.041 53.631 1.410 1
1 394 . 10 1 1 A 32 32 LEU CB C 32 42.916 41.812 1.104 1
1 398 . 10 1 1 A 32 32 LEU C C 32 176.852 175.515 1.337 1
1 399 . 10 1 1 A 32 32 LEU H H 32 8.035 8.809 -0.774 1
1 400 . 10 1 1 A 32 32 LEU HA H 32 4.240 4.682 -0.442 1
1 410 . 10 1 1 A 33 33 ASP N N 33 119.800 119.329 0.471 1
1 411 . 10 1 1 A 33 33 ASP CA C 33 52.948 53.065 -0.117 1
1 412 . 10 1 1 A 33 33 ASP CB C 33 41.578 45.016 -3.438 1
1 413 . 10 1 1 A 33 33 ASP C C 33 176.200 174.319 1.881 1
1 414 . 10 1 1 A 33 33 ASP H H 33 8.400 7.063 1.337 1
1 415 . 10 1 1 A 33 33 ASP HA H 33 4.785 5.184 -0.399 1
1 418 . 10 1 1 A 34 34 MET N N 34 120.000 121.525 -1.525 1
1 419 . 10 1 1 A 34 34 MET CA C 34 56.561 54.781 1.780 1
1 420 . 10 1 1 A 34 34 MET CB C 34 31.288 30.386 0.902 1
1 422 . 10 1 1 A 34 34 MET C C 34 176.483 176.236 0.247 1
1 423 . 10 1 1 A 34 34 MET H H 34 8.492 8.456 0.036 1
1 424 . 10 1 1 A 34 34 MET HA H 34 4.213 4.537 -0.324 1
1 429 . 10 1 1 A 35 35 GLY N N 35 110.400 109.332 1.068 1
1 430 . 10 1 1 A 35 35 GLY CA C 35 44.884 45.346 -0.462 1
1 431 . 10 1 1 A 35 35 GLY C C 35 174.831 175.166 -0.335 1
1 432 . 10 1 1 A 35 35 GLY H H 35 8.668 8.337 0.331 1
1 433 . 10 1 1 A 35 35 GLY HA3 H 35 4.039 4.096 -0.057 1
1 434 . 10 1 1 A 35 35 GLY HA2 H 35 3.818 4.086 -0.268 1
1 435 . 10 1 1 A 36 36 GLY N N 36 107.400 109.590 -2.190 1
1 436 . 10 1 1 A 36 36 GLY CA C 36 45.427 46.650 -1.223 1
1 437 . 10 1 1 A 36 36 GLY C C 36 173.194 173.595 -0.401 1
1 438 . 10 1 1 A 36 36 GLY H H 36 8.008 8.081 -0.073 1
1 439 . 10 1 1 A 36 36 GLY HA3 H 36 4.000 3.929 0.071 1
1 440 . 10 1 1 A 36 36 GLY HA2 H 36 3.861 3.929 -0.068 1
1 441 . 10 1 1 A 37 37 THR N N 37 111.100 110.445 0.655 1
1 442 . 10 1 1 A 37 37 THR CA C 37 59.954 59.567 0.387 1
1 443 . 10 1 1 A 37 37 THR CB C 37 70.589 72.802 -2.213 1
1 445 . 10 1 1 A 37 37 THR C C 37 171.355 172.634 -1.279 1
1 446 . 10 1 1 A 37 37 THR H H 37 7.476 7.517 -0.041 1
1 447 . 10 1 1 A 37 37 THR HA H 37 4.511 5.060 -0.549 1
1 450 . 10 1 1 A 38 38 SER N N 38 115.811 114.800 1.011 1
1 451 . 10 1 1 A 38 38 SER CA C 38 57.664 56.517 1.147 1
1 452 . 10 1 1 A 38 38 SER CB C 38 70.510 66.323 4.187 1
1 453 . 10 1 1 A 38 38 SER C C 38 170.198 173.326 -3.128 1
1 454 . 10 1 1 A 38 38 SER H H 38 7.257 8.920 -1.663 1
1 455 . 10 1 1 A 38 38 SER HA H 38 4.707 5.184 -0.477 1
1 458 . 10 1 1 A 39 39 ASP N N 39 121.288 121.124 0.164 1
1 459 . 10 1 1 A 39 39 ASP CA C 39 51.058 51.753 -0.695 1
1 460 . 10 1 1 A 39 39 ASP CB C 39 42.210 42.025 0.185 1
1 461 . 10 1 1 A 39 39 ASP C C 39 172.500 173.493 -0.993 1
1 462 . 10 1 1 A 39 39 ASP H H 39 8.698 9.157 -0.459 1
1 463 . 10 1 1 A 39 39 ASP HA H 39 5.940 5.748 0.192 1
1 466 . 10 1 1 A 40 40 PRO CA C 40 62.440 62.821 -0.381 1
1 467 . 10 1 1 A 40 40 PRO CB C 40 34.370 33.593 0.777 1
1 470 . 10 1 1 A 40 40 PRO C C 40 176.317 176.077 0.240 1
1 471 . 10 1 1 A 40 40 PRO HA H 40 5.826 5.191 0.635 1
1 478 . 10 1 1 A 41 41 TYR N N 41 113.769 117.750 -3.981 1
1 479 . 10 1 1 A 41 41 TYR CA C 41 56.150 56.791 -0.641 1
1 480 . 10 1 1 A 41 41 TYR CB C 41 40.246 40.764 -0.518 1
1 481 . 10 1 1 A 41 41 TYR C C 41 171.425 172.600 -1.175 1
1 482 . 10 1 1 A 41 41 TYR H H 41 8.703 8.772 -0.069 1
1 483 . 10 1 1 A 41 41 TYR HA H 41 4.795 5.139 -0.344 1
1 487 . 10 1 1 A 42 42 VAL N N 42 119.919 122.878 -2.959 1
1 488 . 10 1 1 A 42 42 VAL CA C 42 60.064 62.308 -2.244 1
1 489 . 10 1 1 A 42 42 VAL CB C 42 33.816 32.434 1.382 1
1 492 . 10 1 1 A 42 42 VAL C C 42 174.456 175.316 -0.860 1
1 493 . 10 1 1 A 42 42 VAL HA H 42 5.020 4.612 0.408 1
1 501 . 10 1 1 A 43 43 LYS N N 43 125.776 125.657 0.119 1
1 502 . 10 1 1 A 43 43 LYS CA C 43 54.601 55.654 -1.053 1
1 503 . 10 1 1 A 43 43 LYS CB C 43 36.096 33.392 2.704 1
1 507 . 10 1 1 A 43 43 LYS C C 43 174.518 175.292 -0.774 1
1 508 . 10 1 1 A 43 43 LYS H H 43 9.415 8.921 0.494 1
1 509 . 10 1 1 A 43 43 LYS HA H 43 5.374 5.377 -0.003 1
1 518 . 10 1 1 A 44 44 VAL N N 44 121.484 124.583 -3.099 1
1 519 . 10 1 1 A 44 44 VAL CA C 44 59.365 60.187 -0.822 1
1 520 . 10 1 1 A 44 44 VAL CB C 44 34.818 33.791 1.027 1
1 523 . 10 1 1 A 44 44 VAL C C 44 173.928 175.119 -1.191 1
1 524 . 10 1 1 A 44 44 VAL H H 44 8.845 9.110 -0.265 1
1 525 . 10 1 1 A 44 44 VAL HA H 44 5.326 4.977 0.349 1
1 533 . 10 1 1 A 45 45 PHE N N 45 120.600 123.020 -2.420 1
1 534 . 10 1 1 A 45 45 PHE CA C 45 55.886 55.789 0.097 1
1 535 . 10 1 1 A 45 45 PHE CB C 45 39.882 42.143 -2.261 1
1 536 . 10 1 1 A 45 45 PHE C C 45 171.102 172.499 -1.397 1
1 537 . 10 1 1 A 45 45 PHE H H 45 8.254 8.992 -0.738 1
1 538 . 10 1 1 A 45 45 PHE HA H 45 4.971 5.544 -0.573 1
1 541 . 10 1 1 A 46 46 LEU N N 46 121.444 120.035 1.409 1
1 542 . 10 1 1 A 46 46 LEU CA C 46 52.376 53.609 -1.233 1
1 543 . 10 1 1 A 46 46 LEU CB C 46 43.229 45.435 -2.206 1
1 547 . 10 1 1 A 46 46 LEU C C 46 176.176 176.448 -0.272 1
1 548 . 10 1 1 A 46 46 LEU H H 46 9.137 9.131 0.006 1
1 549 . 10 1 1 A 46 46 LEU HA H 46 4.189 5.179 -0.990 1
1 559 . 10 1 1 A 47 47 LEU N N 47 123.900 121.673 2.227 1
1 560 . 10 1 1 A 47 47 LEU CA C 47 52.926 52.962 -0.036 1
1 561 . 10 1 1 A 47 47 LEU CB C 47 41.010 41.910 -0.900 1
1 565 . 10 1 1 A 47 47 LEU C C 47 175.800 177.477 -1.677 1
1 566 . 10 1 1 A 47 47 LEU H H 47 8.945 8.043 0.902 1
1 567 . 10 1 1 A 47 47 LEU HA H 47 4.185 4.863 -0.678 1
1 577 . 10 1 1 A 48 48 PRO CA C 48 62.992 65.008 -2.016 1
1 578 . 10 1 1 A 48 48 PRO CB C 48 24.080 32.003 -7.923 1
1 581 . 10 1 1 A 48 48 PRO C C 48 176.188 177.652 -1.464 1
1 582 . 10 1 1 A 48 48 PRO HA H 48 4.474 4.278 0.196 1
1 588 . 10 1 1 A 49 49 ASP N N 49 113.800 116.403 -2.603 1
1 589 . 10 1 1 A 49 49 ASP CA C 49 55.199 56.880 -1.681 1
1 590 . 10 1 1 A 49 49 ASP CB C 49 40.158 41.418 -1.260 1
1 591 . 10 1 1 A 49 49 ASP C C 49 175.304 176.114 -0.810 1
1 592 . 10 1 1 A 49 49 ASP H H 49 8.467 9.448 -0.981 1
1 593 . 10 1 1 A 49 49 ASP HA H 49 4.576 4.454 0.122 1
1 596 . 10 1 1 A 50 50 LYS N N 50 120.081 118.834 1.247 1
1 597 . 10 1 1 A 50 50 LYS CA C 50 56.803 57.241 -0.438 1
1 598 . 10 1 1 A 50 50 LYS CB C 50 32.059 30.700 1.359 1
1 602 . 10 1 1 A 50 50 LYS H H 50 8.329 8.077 0.252 1
1 603 . 10 1 1 A 50 50 LYS HA H 50 3.949 4.089 -0.140 1
1 604 . 10 1 1 A 50 50 LYS C C 50 175.754 176.817 -1.063 1
1 613 . 10 1 1 A 51 51 LYS N N 51 117.896 117.851 0.045 1
1 614 . 10 1 1 A 51 51 LYS CA C 51 57.360 56.184 1.176 1
1 615 . 10 1 1 A 51 51 LYS CB C 51 32.230 32.364 -0.134 1
1 619 . 10 1 1 A 51 51 LYS H H 51 8.099 8.344 -0.245 1
1 620 . 10 1 1 A 51 51 LYS HA H 51 3.950 4.444 -0.494 1
1 621 . 10 1 1 A 51 51 LYS C C 51 176.619 175.492 1.127 1
1 630 . 10 1 1 A 52 52 LYS N N 52 120.200 117.498 2.702 1
1 631 . 10 1 1 A 52 52 LYS CA C 52 54.688 55.559 -0.871 1
1 632 . 10 1 1 A 52 52 LYS CB C 52 31.829 33.495 -1.666 1
1 636 . 10 1 1 A 52 52 LYS H H 52 7.447 7.925 -0.478 1
1 637 . 10 1 1 A 52 52 LYS HA H 52 4.259 4.936 -0.677 1
1 638 . 10 1 1 A 52 52 LYS C C 52 173.420 174.727 -1.307 1
1 647 . 10 1 1 A 53 53 LYS N N 53 123.119 126.780 -3.661 1
1 648 . 10 1 1 A 53 53 LYS CA C 53 53.698 55.210 -1.512 1
1 649 . 10 1 1 A 53 53 LYS CB C 53 41.592 33.014 8.578 1
1 653 . 10 1 1 A 53 53 LYS H H 53 7.810 8.854 -1.044 1
1 654 . 10 1 1 A 53 53 LYS HA H 53 5.004 4.728 0.276 1
1 655 . 10 1 1 A 53 53 LYS C C 53 174.468 174.809 -0.341 1
1 664 . 10 1 1 A 54 54 PHE N N 54 120.200 126.573 -6.373 1
1 665 . 10 1 1 A 54 54 PHE CA C 54 56.583 56.592 -0.009 1
1 666 . 10 1 1 A 54 54 PHE CB C 54 42.110 43.201 -1.091 1
1 667 . 10 1 1 A 54 54 PHE C C 54 173.801 174.624 -0.823 1
1 668 . 10 1 1 A 54 54 PHE H H 54 8.490 8.741 -0.251 1
1 669 . 10 1 1 A 54 54 PHE HA H 54 4.680 5.266 -0.586 1
1 672 . 10 1 1 A 55 55 GLU N N 55 117.600 120.890 -3.290 1
1 673 . 10 1 1 A 55 55 GLU CA C 55 53.537 56.098 -2.561 1
1 674 . 10 1 1 A 55 55 GLU CB C 55 33.241 32.519 0.722 1
1 676 . 10 1 1 A 55 55 GLU C C 55 176.694 175.317 1.377 1
1 677 . 10 1 1 A 55 55 GLU H H 55 8.309 8.878 -0.569 1
1 678 . 10 1 1 A 55 55 GLU HA H 55 5.690 5.135 0.555 1
1 683 . 10 1 1 A 56 56 THR N N 56 111.700 118.280 -6.580 1
1 684 . 10 1 1 A 56 56 THR CA C 56 60.989 61.168 -0.179 1
1 685 . 10 1 1 A 56 56 THR CB C 56 71.860 69.909 1.951 1
1 687 . 10 1 1 A 56 56 THR C C 56 174.385 174.198 0.187 1
1 688 . 10 1 1 A 56 56 THR H H 56 8.775 8.978 -0.203 1
1 689 . 10 1 1 A 56 56 THR HA H 56 4.838 5.355 -0.517 1
1 692 . 10 1 1 A 57 57 LYS N N 57 119.500 124.257 -4.757 1
1 693 . 10 1 1 A 57 57 LYS CA C 57 56.775 55.464 1.311 1
1 694 . 10 1 1 A 57 57 LYS CB C 57 32.743 33.133 -0.390 1
1 698 . 10 1 1 A 57 57 LYS H H 57 9.787 8.559 1.228 1
1 699 . 10 1 1 A 57 57 LYS HA H 57 4.151 4.878 -0.727 1
1 700 . 10 1 1 A 57 57 LYS C C 57 177.417 174.918 2.499 1
1 709 . 10 1 1 A 58 58 VAL N N 58 123.100 125.618 -2.518 1
1 710 . 10 1 1 A 58 58 VAL CA C 58 61.870 61.085 0.785 1
1 711 . 10 1 1 A 58 58 VAL CB C 58 32.081 33.627 -1.546 1
1 714 . 10 1 1 A 58 58 VAL C C 58 176.850 175.034 1.816 1
1 715 . 10 1 1 A 58 58 VAL H H 58 8.120 9.043 -0.923 1
1 716 . 10 1 1 A 58 58 VAL HA H 58 4.284 4.866 -0.582 1
1 724 . 10 1 1 A 59 59 HIS N N 59 128.800 125.747 3.053 1
1 725 . 10 1 1 A 59 59 HIS CA C 59 54.311 53.759 0.552 1
1 726 . 10 1 1 A 59 59 HIS CB C 59 30.426 29.666 0.760 1
1 727 . 10 1 1 A 59 59 HIS C C 59 172.101 175.225 -3.124 1
1 728 . 10 1 1 A 59 59 HIS H H 59 8.550 8.533 0.017 1
1 729 . 10 1 1 A 59 59 HIS HA H 59 4.457 5.105 -0.648 1
1 732 . 10 1 1 A 60 60 ARG N N 60 118.700 118.625 0.075 1
1 733 . 10 1 1 A 60 60 ARG CA C 60 55.702 55.487 0.215 1
1 734 . 10 1 1 A 60 60 ARG CB C 60 30.713 30.934 -0.221 1
1 737 . 10 1 1 A 60 60 ARG C C 60 176.252 175.938 0.314 1
1 738 . 10 1 1 A 60 60 ARG H H 60 8.211 8.242 -0.031 1
1 739 . 10 1 1 A 60 60 ARG HA H 60 4.389 4.666 -0.277 1
1 746 . 10 1 1 A 61 61 LYS N N 61 122.500 118.576 3.924 1
1 747 . 10 1 1 A 61 61 LYS CA C 61 55.977 57.133 -1.156 1
1 748 . 10 1 1 A 61 61 LYS CB C 61 29.711 29.845 -0.134 1
1 752 . 10 1 1 A 61 61 LYS H H 61 9.608 9.073 0.535 1
1 753 . 10 1 1 A 61 61 LYS HA H 61 3.946 3.862 0.084 1
1 754 . 10 1 1 A 61 61 LYS C C 61 175.083 175.071 0.012 1
1 763 . 10 1 1 A 62 62 THR N N 62 113.400 108.871 4.529 1
1 764 . 10 1 1 A 62 62 THR CA C 62 59.755 60.130 -0.375 1
1 765 . 10 1 1 A 62 62 THR CB C 62 63.417 71.541 -8.124 1
1 767 . 10 1 1 A 62 62 THR C C 62 170.120 174.203 -4.083 1
1 768 . 10 1 1 A 62 62 THR H H 62 8.470 7.706 0.764 1
1 769 . 10 1 1 A 62 62 THR HA H 62 4.703 4.760 -0.057 1
1 772 . 10 1 1 A 63 63 LEU N N 63 123.100 124.152 -1.052 1
1 773 . 10 1 1 A 63 63 LEU CA C 63 52.833 56.159 -3.326 1
1 774 . 10 1 1 A 63 63 LEU CB C 63 40.311 42.104 -1.793 1
1 778 . 10 1 1 A 63 63 LEU C C 63 175.135 176.912 -1.777 1
1 779 . 10 1 1 A 63 63 LEU H H 63 8.257 8.769 -0.512 1
1 780 . 10 1 1 A 63 63 LEU HA H 63 4.483 4.463 0.020 1
1 790 . 10 1 1 A 64 64 ASN N N 64 114.829 117.764 -2.935 1
1 792 . 10 1 1 A 64 64 ASN CA C 64 50.610 50.354 0.256 1
1 793 . 10 1 1 A 64 64 ASN CB C 64 40.550 38.871 1.679 1
1 794 . 10 1 1 A 64 64 ASN C C 64 171.500 173.287 -1.787 1
1 795 . 10 1 1 A 64 64 ASN H H 64 8.306 8.024 0.282 1
1 796 . 10 1 1 A 64 64 ASN HA H 64 5.450 5.140 0.310 1
1 801 . 10 1 1 A 65 65 PRO CA C 65 61.914 62.135 -0.221 1
1 802 . 10 1 1 A 65 65 PRO CB C 65 30.780 32.602 -1.822 1
1 805 . 10 1 1 A 65 65 PRO C C 65 173.852 175.850 -1.998 1
1 806 . 10 1 1 A 65 65 PRO HA H 65 3.970 5.009 -1.039 1
1 813 . 10 1 1 A 66 66 VAL N N 66 121.000 121.783 -0.783 1
1 814 . 10 1 1 A 66 66 VAL CA C 66 61.782 60.698 1.084 1
1 815 . 10 1 1 A 66 66 VAL CB C 66 32.721 35.790 -3.069 1
1 818 . 10 1 1 A 66 66 VAL C C 66 175.152 175.725 -0.573 1
1 819 . 10 1 1 A 66 66 VAL H H 66 7.926 8.792 -0.866 1
1 820 . 10 1 1 A 66 66 VAL HA H 66 3.807 4.644 -0.837 1
1 828 . 10 1 1 A 67 67 PHE N N 67 123.400 126.534 -3.134 1
1 829 . 10 1 1 A 67 67 PHE CA C 67 59.262 61.011 -1.749 1
1 830 . 10 1 1 A 67 67 PHE CB C 67 39.849 39.777 0.072 1
1 831 . 10 1 1 A 67 67 PHE C C 67 175.748 175.579 0.169 1
1 832 . 10 1 1 A 67 67 PHE H H 67 8.150 9.292 -1.142 1
1 833 . 10 1 1 A 67 67 PHE HA H 67 4.378 4.229 0.149 1
1 836 . 10 1 1 A 68 68 ASN N N 68 117.500 117.569 -0.069 1
1 837 . 10 1 1 A 68 68 ASN CA C 68 53.983 54.148 -0.165 1
1 838 . 10 1 1 A 68 68 ASN CB C 68 37.351 37.139 0.212 1
1 839 . 10 1 1 A 68 68 ASN C C 68 173.314 174.640 -1.326 1
1 840 . 10 1 1 A 68 68 ASN H H 68 8.920 8.656 0.264 1
1 841 . 10 1 1 A 68 68 ASN HA H 68 4.350 6.016 -1.666 1
1 847 . 10 1 1 A 69 69 GLU N N 69 116.000 119.343 -3.343 1
1 848 . 10 1 1 A 69 69 GLU CA C 69 55.742 56.783 -1.041 1
1 849 . 10 1 1 A 69 69 GLU CB C 69 34.663 31.839 2.824 1
1 851 . 10 1 1 A 69 69 GLU C C 69 174.165 174.236 -0.071 1
1 852 . 10 1 1 A 69 69 GLU H H 69 7.931 8.043 -0.112 1
1 853 . 10 1 1 A 69 69 GLU HA H 69 4.638 4.769 -0.131 1
1 858 . 10 1 1 A 70 70 GLN N N 70 121.500 127.826 -6.326 1
1 860 . 10 1 1 A 70 70 GLN CA C 70 53.807 54.338 -0.531 1
1 861 . 10 1 1 A 70 70 GLN CB C 70 31.750 32.234 -0.484 1
1 863 . 10 1 1 A 70 70 GLN C C 70 173.068 174.412 -1.344 1
1 864 . 10 1 1 A 70 70 GLN H H 70 8.174 9.280 -1.106 1
1 865 . 10 1 1 A 70 70 GLN HA H 70 4.985 5.161 -0.176 1
1 872 . 10 1 1 A 71 71 PHE N N 71 124.300 128.520 -4.220 1
1 873 . 10 1 1 A 71 71 PHE CA C 71 55.249 56.822 -1.573 1
1 874 . 10 1 1 A 71 71 PHE CB C 71 42.133 39.929 2.204 1
1 875 . 10 1 1 A 71 71 PHE C C 71 173.570 174.256 -0.686 1
1 876 . 10 1 1 A 71 71 PHE H H 71 9.040 9.023 0.017 1
1 877 . 10 1 1 A 71 71 PHE HA H 71 4.528 4.790 -0.262 1
1 880 . 10 1 1 A 72 72 THR N N 72 114.000 119.452 -5.452 1
1 881 . 10 1 1 A 72 72 THR CA C 72 59.491 62.569 -3.078 1
1 882 . 10 1 1 A 72 72 THR CB C 72 70.623 67.222 3.401 1
1 884 . 10 1 1 A 72 72 THR C C 72 172.834 172.767 0.067 1
1 885 . 10 1 1 A 72 72 THR H H 72 7.763 7.741 0.022 1
1 886 . 10 1 1 A 72 72 THR HA H 72 5.212 4.223 0.989 1
1 889 . 10 1 1 A 73 73 PHE N N 73 120.900 124.947 -4.047 1
1 890 . 10 1 1 A 73 73 PHE CA C 73 56.071 56.164 -0.093 1
1 891 . 10 1 1 A 73 73 PHE CB C 73 41.570 40.033 1.537 1
1 892 . 10 1 1 A 73 73 PHE C C 73 174.890 174.412 0.478 1
1 893 . 10 1 1 A 73 73 PHE H H 73 8.983 9.566 -0.583 1
1 894 . 10 1 1 A 73 73 PHE HA H 73 4.750 5.128 -0.378 1
1 897 . 10 1 1 A 74 74 LYS N N 74 127.500 125.841 1.659 1
1 898 . 10 1 1 A 74 74 LYS CA C 74 56.186 55.509 0.677 1
1 899 . 10 1 1 A 74 74 LYS CB C 74 30.577 30.941 -0.364 1
1 903 . 10 1 1 A 74 74 LYS C C 74 174.575 174.950 -0.375 1
1 904 . 10 1 1 A 74 74 LYS H H 74 9.063 8.835 0.228 1
1 905 . 10 1 1 A 74 74 LYS HA H 74 4.690 4.378 0.312 1
1 914 . 10 1 1 A 75 75 VAL N N 75 126.600 118.596 8.004 1
1 915 . 10 1 1 A 75 75 VAL CA C 75 57.737 58.275 -0.538 1
1 916 . 10 1 1 A 75 75 VAL CB C 75 35.160 34.854 0.306 1
1 919 . 10 1 1 A 75 75 VAL C C 75 171.500 173.525 -2.025 1
1 920 . 10 1 1 A 75 75 VAL H H 75 7.546 8.386 -0.840 1
1 921 . 10 1 1 A 75 75 VAL HA H 75 4.650 4.790 -0.140 1
1 929 . 10 1 1 A 76 76 PRO CA C 76 62.476 62.630 -0.154 1
1 930 . 10 1 1 A 76 76 PRO CB C 76 32.143 32.526 -0.383 1
1 933 . 10 1 1 A 76 76 PRO C C 76 176.991 177.157 -0.166 1
1 934 . 10 1 1 A 76 76 PRO HA H 76 4.329 4.831 -0.502 1
1 941 . 10 1 1 A 77 77 TYR N N 77 128.500 125.438 3.062 1
1 942 . 10 1 1 A 77 77 TYR CA C 77 61.772 60.699 1.073 1
1 943 . 10 1 1 A 77 77 TYR CB C 77 37.898 37.435 0.463 1
1 944 . 10 1 1 A 77 77 TYR C C 77 177.516 177.034 0.482 1
1 945 . 10 1 1 A 77 77 TYR H H 77 8.626 8.868 -0.242 1
1 946 . 10 1 1 A 77 77 TYR HA H 77 3.403 4.139 -0.736 1
1 950 . 10 1 1 A 78 78 SER N N 78 110.600 116.866 -6.266 1
1 951 . 10 1 1 A 78 78 SER H H 78 8.509 7.847 0.662 1
1 952 . 10 1 1 A 78 78 SER CA C 78 60.064 61.071 -1.007 1
1 953 . 10 1 1 A 78 78 SER CB C 78 62.022 62.252 -0.230 1
1 954 . 10 1 1 A 78 78 SER C C 78 175.292 176.501 -1.209 1
1 955 . 10 1 1 A 78 78 SER HA H 78 3.940 4.291 -0.351 1
1 958 . 10 1 1 A 79 79 GLU N N 79 119.000 121.302 -2.302 1
1 959 . 10 1 1 A 79 79 GLU CA C 79 55.273 58.576 -3.303 1
1 960 . 10 1 1 A 79 79 GLU CB C 79 30.302 29.421 0.881 1
1 962 . 10 1 1 A 79 79 GLU C C 79 177.218 178.519 -1.301 1
1 963 . 10 1 1 A 79 79 GLU H H 79 7.411 7.575 -0.164 1
1 964 . 10 1 1 A 79 79 GLU HA H 79 4.280 4.087 0.193 1
1 969 . 10 1 1 A 80 80 LEU N N 80 121.600 120.727 0.873 1
1 970 . 10 1 1 A 80 80 LEU CA C 80 57.376 57.790 -0.414 1
1 971 . 10 1 1 A 80 80 LEU CB C 80 41.916 41.605 0.311 1
1 975 . 10 1 1 A 80 80 LEU C C 80 177.098 178.390 -1.292 1
1 976 . 10 1 1 A 80 80 LEU H H 80 7.311 8.167 -0.856 1
1 977 . 10 1 1 A 80 80 LEU HA H 80 3.643 3.922 -0.279 1
1 987 . 10 1 1 A 81 81 GLY N N 81 102.900 106.939 -4.039 1
1 988 . 10 1 1 A 81 81 GLY CA C 81 46.638 47.396 -0.758 1
1 989 . 10 1 1 A 81 81 GLY C C 81 174.240 176.615 -2.375 1
1 990 . 10 1 1 A 81 81 GLY H H 81 7.860 8.323 -0.463 1
1 991 . 10 1 1 A 81 81 GLY HA3 H 81 3.744 3.752 -0.008 1
1 992 . 10 1 1 A 81 81 GLY HA2 H 81 3.434 3.751 -0.317 1
1 993 . 10 1 1 A 82 82 GLY N N 82 105.900 108.578 -2.678 1
1 994 . 10 1 1 A 82 82 GLY CA C 82 44.289 46.550 -2.261 1
1 995 . 10 1 1 A 82 82 GLY C C 82 174.591 174.579 0.012 1
1 996 . 10 1 1 A 82 82 GLY H H 82 7.396 8.141 -0.745 1
1 997 . 10 1 1 A 82 82 GLY HA3 H 82 4.267 3.959 0.308 1
1 998 . 10 1 1 A 82 82 GLY HA2 H 82 3.760 3.959 -0.199 1
1 999 . 10 1 1 A 83 83 LYS N N 83 119.000 119.496 -0.496 1
1 1000 . 10 1 1 A 83 83 LYS CA C 83 53.818 56.096 -2.278 1
1 1001 . 10 1 1 A 83 83 LYS CB C 83 33.814 33.227 0.587 1
1 1005 . 10 1 1 A 83 83 LYS H H 83 7.888 7.683 0.205 1
1 1006 . 10 1 1 A 83 83 LYS HA H 83 4.366 4.435 -0.069 1
1 1007 . 10 1 1 A 83 83 LYS C C 83 176.518 175.799 0.719 1
1 1015 . 10 1 1 A 84 84 THR N N 84 118.500 114.382 4.118 1
1 1016 . 10 1 1 A 84 84 THR CA C 84 61.914 60.658 1.256 1
1 1017 . 10 1 1 A 84 84 THR CB C 84 71.340 70.882 0.458 1
1 1019 . 10 1 1 A 84 84 THR C C 84 171.750 173.798 -2.048 1
1 1020 . 10 1 1 A 84 84 THR H H 84 8.248 8.859 -0.611 1
1 1021 . 10 1 1 A 84 84 THR HA H 84 4.638 5.130 -0.492 1
1 1024 . 10 1 1 A 85 85 LEU N N 85 130.500 124.381 6.119 1
1 1025 . 10 1 1 A 85 85 LEU CA C 85 53.982 53.416 0.566 1
1 1026 . 10 1 1 A 85 85 LEU CB C 85 43.826 43.048 0.778 1
1 1030 . 10 1 1 A 85 85 LEU C C 85 173.417 176.129 -2.712 1
1 1031 . 10 1 1 A 85 85 LEU H H 85 8.430 8.369 0.061 1
1 1032 . 10 1 1 A 85 85 LEU HA H 85 4.417 4.732 -0.315 1
1 1042 . 10 1 1 A 86 86 VAL N N 86 127.723 118.500 9.223 1
1 1043 . 10 1 1 A 86 86 VAL CA C 86 61.206 59.364 1.842 1
1 1044 . 10 1 1 A 86 86 VAL CB C 86 31.856 33.956 -2.100 1
1 1047 . 10 1 1 A 86 86 VAL C C 86 173.599 173.747 -0.148 1
1 1048 . 10 1 1 A 86 86 VAL H H 86 8.771 8.730 0.041 1
1 1049 . 10 1 1 A 86 86 VAL HA H 86 4.151 4.615 -0.464 1
1 1057 . 10 1 1 A 87 87 MET N N 87 122.600 125.329 -2.729 1
1 1058 . 10 1 1 A 87 87 MET CA C 87 53.654 54.079 -0.425 1
1 1059 . 10 1 1 A 87 87 MET CB C 87 31.288 36.304 -5.016 1
1 1061 . 10 1 1 A 87 87 MET C C 87 172.749 174.652 -1.903 1
1 1062 . 10 1 1 A 87 87 MET H H 87 7.503 8.695 -1.192 1
1 1063 . 10 1 1 A 87 87 MET HA H 87 4.706 5.291 -0.585 1
1 1068 . 10 1 1 A 88 88 ALA N N 88 124.200 126.670 -2.470 1
1 1069 . 10 1 1 A 88 88 ALA CA C 88 50.017 51.033 -1.016 1
1 1070 . 10 1 1 A 88 88 ALA CB C 88 23.107 21.692 1.415 1
1 1071 . 10 1 1 A 88 88 ALA C C 88 174.558 175.656 -1.098 1
1 1072 . 10 1 1 A 88 88 ALA H H 88 8.755 9.233 -0.478 1
1 1073 . 10 1 1 A 88 88 ALA HA H 88 4.948 5.241 -0.293 1
1 1077 . 10 1 1 A 89 89 VAL N N 89 122.900 126.107 -3.207 1
1 1078 . 10 1 1 A 89 89 VAL CA C 89 60.881 62.435 -1.554 1
1 1079 . 10 1 1 A 89 89 VAL CB C 89 31.541 32.074 -0.533 1
1 1082 . 10 1 1 A 89 89 VAL C C 89 173.707 174.124 -0.417 1
1 1083 . 10 1 1 A 89 89 VAL H H 89 8.813 8.536 0.277 1
1 1084 . 10 1 1 A 89 89 VAL HA H 89 4.652 4.642 0.010 1
1 1092 . 10 1 1 A 90 90 TYR N N 90 128.400 130.519 -2.119 1
1 1093 . 10 1 1 A 90 90 TYR CA C 90 56.230 55.952 0.278 1
1 1094 . 10 1 1 A 90 90 TYR CB C 90 43.211 41.040 2.171 1
1 1095 . 10 1 1 A 90 90 TYR C C 90 173.024 173.274 -0.250 1
1 1096 . 10 1 1 A 90 90 TYR H H 90 9.067 9.326 -0.259 1
1 1097 . 10 1 1 A 90 90 TYR HA H 90 4.766 5.188 -0.422 1
1 1101 . 10 1 1 A 91 91 ASP N N 91 116.300 129.069 -12.769 1
1 1102 . 10 1 1 A 91 91 ASP CA C 91 51.800 52.657 -0.857 1
1 1103 . 10 1 1 A 91 91 ASP CB C 91 42.265 42.478 -0.213 1
1 1104 . 10 1 1 A 91 91 ASP C C 91 175.823 175.452 0.371 1
1 1105 . 10 1 1 A 91 91 ASP H H 91 8.700 8.494 0.206 1
1 1106 . 10 1 1 A 91 91 ASP HA H 91 5.098 5.086 0.012 1
1 1109 . 10 1 1 A 92 92 PHE N N 92 128.100 127.690 0.410 1
1 1110 . 10 1 1 A 92 92 PHE CA C 92 58.830 57.045 1.785 1
1 1111 . 10 1 1 A 92 92 PHE CB C 92 31.850 39.140 -7.290 1
1 1112 . 10 1 1 A 92 92 PHE C C 92 173.437 176.003 -2.566 1
1 1113 . 10 1 1 A 92 92 PHE H H 92 9.540 9.479 0.061 1
1 1114 . 10 1 1 A 92 92 PHE HA H 92 4.480 4.512 -0.032 1
1 1117 . 10 1 1 A 93 93 ASP N N 93 122.100 127.558 -5.458 1
1 1118 . 10 1 1 A 93 93 ASP CA C 93 53.701 53.768 -0.067 1
1 1119 . 10 1 1 A 93 93 ASP CB C 93 41.736 41.084 0.652 1
1 1120 . 10 1 1 A 93 93 ASP C C 93 175.548 175.593 -0.045 1
1 1121 . 10 1 1 A 93 93 ASP H H 93 7.812 8.874 -1.062 1
1 1122 . 10 1 1 A 93 93 ASP HA H 93 4.480 4.712 -0.232 1
1 1125 . 10 1 1 A 94 94 ARG N N 94 121.500 115.305 6.195 1
1 1126 . 10 1 1 A 94 94 ARG CA C 94 56.142 57.479 -1.337 1
1 1127 . 10 1 1 A 94 94 ARG CB C 94 30.173 27.886 2.287 1
1 1129 . 10 1 1 A 94 94 ARG C C 94 175.795 175.114 0.681 1
1 1130 . 10 1 1 A 94 94 ARG H H 94 8.264 7.261 1.003 1
1 1131 . 10 1 1 A 94 94 ARG HA H 94 4.000 3.319 0.681 1
1 1138 . 10 1 1 A 95 95 PHE N N 95 118.600 119.641 -1.041 1
1 1139 . 10 1 1 A 95 95 PHE CA C 95 59.850 59.159 0.691 1
1 1140 . 10 1 1 A 95 95 PHE CB C 95 38.955 40.450 -1.495 1
1 1141 . 10 1 1 A 95 95 PHE C C 95 172.969 174.897 -1.928 1
1 1142 . 10 1 1 A 95 95 PHE H H 95 6.889 8.151 -1.262 1
1 1143 . 10 1 1 A 95 95 PHE HA H 95 4.373 4.880 -0.507 1
1 1146 . 10 1 1 A 96 96 SER N N 96 114.200 111.707 2.493 1
1 1147 . 10 1 1 A 96 96 SER H H 96 8.027 7.658 0.369 1
1 1148 . 10 1 1 A 96 96 SER CA C 96 57.596 57.465 0.131 1
1 1149 . 10 1 1 A 96 96 SER CB C 96 63.494 64.487 -0.993 1
1 1150 . 10 1 1 A 96 96 SER C C 96 174.149 174.106 0.043 1
1 1151 . 10 1 1 A 96 96 SER HA H 96 4.220 4.524 -0.304 1
1 1154 . 10 1 1 A 97 97 LYS N N 97 121.600 120.402 1.198 1
1 1155 . 10 1 1 A 97 97 LYS CA C 97 58.206 56.310 1.896 1
1 1156 . 10 1 1 A 97 97 LYS CB C 97 31.860 32.568 -0.708 1
1 1159 . 10 1 1 A 97 97 LYS H H 97 8.264 8.493 -0.229 1
1 1160 . 10 1 1 A 97 97 LYS HA H 97 4.202 3.971 0.231 1
1 1161 . 10 1 1 A 97 97 LYS C C 97 175.599 176.752 -1.153 1
1 1170 . 10 1 1 A 98 98 HIS N N 98 119.000 122.515 -3.515 1
1 1171 . 10 1 1 A 98 98 HIS CA C 98 54.159 56.658 -2.499 1
1 1172 . 10 1 1 A 98 98 HIS CB C 98 30.040 29.811 0.229 1
1 1173 . 10 1 1 A 98 98 HIS C C 98 174.050 174.340 -0.290 1
1 1174 . 10 1 1 A 98 98 HIS H H 98 8.350 7.940 0.410 1
1 1175 . 10 1 1 A 98 98 HIS HA H 98 4.784 4.540 0.244 1
1 1178 . 10 1 1 A 99 99 ASP N N 99 122.600 125.445 -2.845 1
1 1179 . 10 1 1 A 99 99 ASP CA C 99 53.806 53.245 0.561 1
1 1180 . 10 1 1 A 99 99 ASP CB C 99 41.074 41.679 -0.605 1
1 1181 . 10 1 1 A 99 99 ASP C C 99 174.346 175.394 -1.048 1
1 1182 . 10 1 1 A 99 99 ASP H H 99 8.812 8.880 -0.068 1
1 1183 . 10 1 1 A 99 99 ASP HA H 99 4.781 4.759 0.022 1
1 1186 . 10 1 1 A 100 100 ILE N N 100 122.400 126.954 -4.554 1
1 1187 . 10 1 1 A 100 100 ILE CA C 100 60.989 61.988 -0.999 1
1 1188 . 10 1 1 A 100 100 ILE CB C 100 38.823 37.614 1.209 1
1 1192 . 10 1 1 A 100 100 ILE C C 100 174.431 177.491 -3.060 1
1 1193 . 10 1 1 A 100 100 ILE H H 100 8.075 8.692 -0.617 1
1 1194 . 10 1 1 A 100 100 ILE HA H 100 3.405 3.918 -0.513 1
1 1204 . 10 1 1 A 101 101 ILE N N 101 127.400 123.848 3.552 1
1 1205 . 10 1 1 A 101 101 ILE CA C 101 63.380 62.770 0.610 1
1 1206 . 10 1 1 A 101 101 ILE CB C 101 38.058 38.361 -0.303 1
1 1210 . 10 1 1 A 101 101 ILE C C 101 175.859 176.283 -0.424 1
1 1211 . 10 1 1 A 101 101 ILE H H 101 9.219 8.447 0.772 1
1 1212 . 10 1 1 A 101 101 ILE HA H 101 3.869 4.095 -0.226 1
1 1219 . 10 1 1 A 102 102 GLY N N 102 101.500 109.571 -8.071 1
1 1220 . 10 1 1 A 102 102 GLY CA C 102 45.259 45.994 -0.735 1
1 1221 . 10 1 1 A 102 102 GLY C C 102 169.614 171.447 -1.833 1
1 1222 . 10 1 1 A 102 102 GLY H H 102 7.241 7.014 0.227 1
1 1223 . 10 1 1 A 102 102 GLY HA3 H 102 4.024 4.079 -0.055 1
1 1224 . 10 1 1 A 102 102 GLY HA2 H 102 3.811 4.078 -0.267 1
1 1225 . 10 1 1 A 103 103 GLU N N 103 117.100 119.802 -2.702 1
1 1226 . 10 1 1 A 103 103 GLU CA C 103 54.229 55.855 -1.626 1
1 1227 . 10 1 1 A 103 103 GLU CB C 103 34.012 33.608 0.404 1
1 1229 . 10 1 1 A 103 103 GLU C C 103 173.993 174.751 -0.758 1
1 1230 . 10 1 1 A 103 103 GLU H H 103 9.499 9.027 0.472 1
1 1231 . 10 1 1 A 103 103 GLU HA H 103 5.513 5.453 0.060 1
1 1236 . 10 1 1 A 104 104 PHE N N 104 115.900 118.773 -2.873 1
1 1237 . 10 1 1 A 104 104 PHE CA C 104 58.037 55.765 2.272 1
1 1238 . 10 1 1 A 104 104 PHE CB C 104 41.030 42.937 -1.907 1
1 1239 . 10 1 1 A 104 104 PHE C C 104 171.749 172.418 -0.669 1
1 1240 . 10 1 1 A 104 104 PHE H H 104 8.525 9.091 -0.566 1
1 1241 . 10 1 1 A 104 104 PHE HA H 104 4.731 5.577 -0.846 1
1 1244 . 10 1 1 A 105 105 LYS N N 105 118.900 122.280 -3.380 1
1 1245 . 10 1 1 A 105 105 LYS CA C 105 53.771 54.731 -0.960 1
1 1246 . 10 1 1 A 105 105 LYS CB C 105 34.953 35.151 -0.198 1
1 1250 . 10 1 1 A 105 105 LYS H H 105 7.805 9.119 -1.314 1
1 1251 . 10 1 1 A 105 105 LYS HA H 105 5.188 4.941 0.247 1
1 1252 . 10 1 1 A 105 105 LYS C C 105 175.389 175.215 0.174 1
1 1261 . 10 1 1 A 106 106 VAL N N 106 121.400 126.229 -4.829 1
1 1262 . 10 1 1 A 106 106 VAL CA C 106 58.522 59.174 -0.652 1
1 1263 . 10 1 1 A 106 106 VAL CB C 106 34.050 35.419 -1.369 1
1 1266 . 10 1 1 A 106 106 VAL C C 106 173.300 173.926 -0.626 1
1 1267 . 10 1 1 A 106 106 VAL H H 106 9.276 8.273 1.003 1
1 1268 . 10 1 1 A 106 106 VAL HA H 106 4.430 4.601 -0.171 1
1 1276 . 10 1 1 A 107 107 PRO CA C 107 62.265 62.958 -0.693 1
1 1277 . 10 1 1 A 107 107 PRO CB C 107 31.157 31.693 -0.536 1
1 1280 . 10 1 1 A 107 107 PRO C C 107 178.967 178.337 0.630 1
1 1281 . 10 1 1 A 107 107 PRO HA H 107 4.703 4.526 0.177 1
1 1288 . 10 1 1 A 108 108 MET N N 108 126.300 124.998 1.302 1
1 1289 . 10 1 1 A 108 108 MET CA C 108 56.728 57.515 -0.787 1
1 1290 . 10 1 1 A 108 108 MET CB C 108 32.909 32.286 0.623 1
1 1292 . 10 1 1 A 108 108 MET C C 108 176.858 178.231 -1.373 1
1 1293 . 10 1 1 A 108 108 MET H H 108 8.716 8.415 0.301 1
1 1294 . 10 1 1 A 108 108 MET HA H 108 4.483 4.284 0.199 1
1 1299 . 10 1 1 A 109 109 ASN N N 109 115.600 116.479 -0.879 1
1 1300 . 10 1 1 A 109 109 ASN CA C 109 53.983 55.581 -1.598 1
1 1301 . 10 1 1 A 109 109 ASN CB C 109 36.227 37.165 -0.938 1
1 1302 . 10 1 1 A 109 109 ASN C C 109 175.789 176.715 -0.926 1
1 1303 . 10 1 1 A 109 109 ASN H H 109 8.342 8.791 -0.449 1
1 1304 . 10 1 1 A 109 109 ASN HA H 109 4.564 4.433 0.131 1
1 1310 . 10 1 1 A 110 110 THR N N 110 107.600 111.766 -4.166 1
1 1311 . 10 1 1 A 110 110 THR CA C 110 61.115 63.557 -2.442 1
1 1312 . 10 1 1 A 110 110 THR CB C 110 62.929 69.693 -6.764 1
1 1314 . 10 1 1 A 110 110 THR C C 110 173.508 174.758 -1.250 1
1 1315 . 10 1 1 A 110 110 THR H H 110 7.522 7.480 0.042 1
1 1316 . 10 1 1 A 110 110 THR HA H 110 4.461 4.324 0.137 1
1 1319 . 10 1 1 A 111 111 VAL N N 111 123.700 122.816 0.884 1
1 1320 . 10 1 1 A 111 111 VAL CA C 111 61.782 60.749 1.033 1
1 1321 . 10 1 1 A 111 111 VAL CB C 111 32.821 32.317 0.504 1
1 1324 . 10 1 1 A 111 111 VAL C C 111 173.903 174.135 -0.232 1
1 1325 . 10 1 1 A 111 111 VAL H H 111 6.960 7.122 -0.162 1
1 1326 . 10 1 1 A 111 111 VAL HA H 111 3.703 4.247 -0.544 1
1 1334 . 10 1 1 A 112 112 ASP N N 112 125.800 129.920 -4.120 1
1 1335 . 10 1 1 A 112 112 ASP CA C 112 51.777 53.004 -1.227 1
1 1336 . 10 1 1 A 112 112 ASP CB C 112 40.648 40.778 -0.130 1
1 1337 . 10 1 1 A 112 112 ASP C C 112 175.407 174.813 0.594 1
1 1338 . 10 1 1 A 112 112 ASP H H 112 8.341 8.759 -0.418 1
1 1339 . 10 1 1 A 112 112 ASP HA H 112 4.719 4.715 0.004 1
1 1342 . 10 1 1 A 113 113 PHE N N 113 122.700 125.430 -2.730 1
1 1343 . 10 1 1 A 113 113 PHE CA C 113 59.887 55.965 3.922 1
1 1344 . 10 1 1 A 113 113 PHE CB C 113 37.999 36.419 1.580 1
1 1345 . 10 1 1 A 113 113 PHE C C 113 175.854 176.253 -0.399 1
1 1346 . 10 1 1 A 113 113 PHE H H 113 8.391 8.726 -0.335 1
1 1347 . 10 1 1 A 113 113 PHE HA H 113 4.670 4.540 0.130 1
1 1350 . 10 1 1 A 114 114 GLY N N 114 108.608 109.245 -0.637 1
1 1351 . 10 1 1 A 114 114 GLY CA C 114 45.657 47.183 -1.526 1
1 1352 . 10 1 1 A 114 114 GLY C C 114 172.963 175.279 -2.316 1
1 1353 . 10 1 1 A 114 114 GLY H H 114 8.953 8.107 0.846 1
1 1354 . 10 1 1 A 114 114 GLY HA3 H 114 4.018 3.551 0.467 1
1 1355 . 10 1 1 A 114 114 GLY HA2 H 114 3.912 3.507 0.405 1
1 1356 . 10 1 1 A 115 115 HIS N N 115 114.926 113.242 1.684 1
1 1357 . 10 1 1 A 115 115 HIS CA C 115 53.533 55.338 -1.805 1
1 1358 . 10 1 1 A 115 115 HIS CB C 115 30.349 30.475 -0.126 1
1 1359 . 10 1 1 A 115 115 HIS C C 115 172.453 173.117 -0.664 1
1 1360 . 10 1 1 A 115 115 HIS H H 115 7.510 7.581 -0.071 1
1 1361 . 10 1 1 A 115 115 HIS HA H 115 4.868 5.138 -0.270 1
1 1364 . 10 1 1 A 116 116 VAL N N 116 122.100 121.086 1.014 1
1 1365 . 10 1 1 A 116 116 VAL CA C 116 62.992 59.647 3.345 1
1 1366 . 10 1 1 A 116 116 VAL CB C 116 31.850 34.304 -2.454 1
1 1369 . 10 1 1 A 116 116 VAL C C 116 176.352 173.517 2.835 1
1 1370 . 10 1 1 A 116 116 VAL H H 116 8.460 8.728 -0.268 1
1 1371 . 10 1 1 A 116 116 VAL HA H 116 4.268 5.275 -1.007 1
1 1379 . 10 1 1 A 117 117 THR N N 117 124.700 123.743 0.957 1
1 1380 . 10 1 1 A 117 117 THR CA C 117 61.694 61.975 -0.281 1
1 1381 . 10 1 1 A 117 117 THR CB C 117 70.001 69.586 0.415 1
1 1383 . 10 1 1 A 117 117 THR C C 117 172.762 173.933 -1.171 1
1 1384 . 10 1 1 A 117 117 THR H H 117 8.550 9.950 -1.400 1
1 1385 . 10 1 1 A 117 117 THR HA H 117 4.460 4.633 -0.173 1
1 1388 . 10 1 1 A 118 118 GLU N N 118 126.000 124.953 1.047 1
1 1389 . 10 1 1 A 118 118 GLU CA C 118 55.038 55.168 -0.130 1
1 1390 . 10 1 1 A 118 118 GLU CB C 118 30.835 31.692 -0.857 1
1 1392 . 10 1 1 A 118 118 GLU C C 118 174.419 174.916 -0.497 1
1 1393 . 10 1 1 A 118 118 GLU H H 118 8.382 8.881 -0.499 1
1 1394 . 10 1 1 A 118 118 GLU HA H 118 4.776 5.251 -0.475 1
1 1399 . 10 1 1 A 119 119 GLU N N 119 123.000 120.929 2.071 1
1 1400 . 10 1 1 A 119 119 GLU CA C 119 54.292 54.751 -0.459 1
1 1401 . 10 1 1 A 119 119 GLU CB C 119 32.909 33.489 -0.580 1
1 1403 . 10 1 1 A 119 119 GLU C C 119 173.072 174.393 -1.321 1
1 1404 . 10 1 1 A 119 119 GLU H H 119 8.057 8.568 -0.511 1
1 1405 . 10 1 1 A 119 119 GLU HA H 119 4.631 4.402 0.229 1
1 1410 . 10 1 1 A 120 120 TRP N N 120 118.300 122.110 -3.810 1
1 1411 . 10 1 1 A 120 120 TRP C C 120 177.336 175.150 2.186 1
1 1412 . 10 1 1 A 120 120 TRP CA C 120 55.672 56.607 -0.935 1
1 1413 . 10 1 1 A 120 120 TRP CB C 120 31.259 30.012 1.247 1
1 1414 . 10 1 1 A 120 120 TRP H H 120 8.212 8.339 -0.127 1
1 1415 . 10 1 1 A 120 120 TRP HA H 120 5.322 5.026 0.296 1
1 1424 . 10 1 1 A 121 121 ARG N N 121 120.900 126.157 -5.257 1
1 1425 . 10 1 1 A 121 121 ARG CA C 121 53.631 53.546 0.085 1
1 1426 . 10 1 1 A 121 121 ARG CB C 121 32.865 32.650 0.215 1
1 1429 . 10 1 1 A 121 121 ARG C C 121 174.321 174.581 -0.260 1
1 1430 . 10 1 1 A 121 121 ARG H H 121 9.012 8.473 0.539 1
1 1431 . 10 1 1 A 121 121 ARG HA H 121 4.488 4.873 -0.385 1
1 1438 . 10 1 1 A 122 122 ASP N N 122 121.600 126.802 -5.202 1
1 1439 . 10 1 1 A 122 122 ASP CA C 122 53.795 53.460 0.335 1
1 1440 . 10 1 1 A 122 122 ASP CB C 122 40.544 42.685 -2.141 1
1 1441 . 10 1 1 A 122 122 ASP C C 122 176.041 175.221 0.820 1
1 1442 . 10 1 1 A 122 122 ASP H H 122 8.226 8.679 -0.453 1
1 1443 . 10 1 1 A 122 122 ASP HA H 122 4.791 5.058 -0.267 1
1 1446 . 10 1 1 A 123 123 LEU N N 123 120.700 126.734 -6.034 1
1 1447 . 10 1 1 A 123 123 LEU CA C 123 54.997 54.209 0.788 1
1 1448 . 10 1 1 A 123 123 LEU CB C 123 41.765 42.902 -1.137 1
1 1452 . 10 1 1 A 123 123 LEU C C 123 175.964 176.146 -0.182 1
1 1453 . 10 1 1 A 123 123 LEU H H 123 8.436 8.581 -0.145 1
1 1454 . 10 1 1 A 123 123 LEU HA H 123 4.125 4.960 -0.835 1
1 1464 . 10 1 1 A 124 124 GLN N N 124 119.200 125.735 -6.535 1
1 1466 . 10 1 1 A 124 124 GLN CA C 124 53.278 54.786 -1.508 1
1 1467 . 10 1 1 A 124 124 GLN CB C 124 31.232 30.574 0.658 1
1 1469 . 10 1 1 A 124 124 GLN C C 124 175.183 174.858 0.325 1
1 1470 . 10 1 1 A 124 124 GLN H H 124 9.020 8.536 0.484 1
1 1471 . 10 1 1 A 124 124 GLN HA H 124 4.738 5.041 -0.303 1
1 1478 . 10 1 1 A 125 125 SER N N 125 115.300 118.670 -3.370 1
1 1479 . 10 1 1 A 125 125 SER H H 125 8.543 8.809 -0.266 1
1 1480 . 10 1 1 A 125 125 SER CA C 125 58.477 57.604 0.873 1
1 1481 . 10 1 1 A 125 125 SER CB C 125 63.274 63.476 -0.202 1
1 1482 . 10 1 1 A 125 125 SER C C 125 174.609 173.801 0.808 1
1 1483 . 10 1 1 A 125 125 SER HA H 125 4.235 4.872 -0.637 1
1 1486 . 10 1 1 A 126 126 ALA N N 126 126.900 130.433 -3.533 1
1 1487 . 10 1 1 A 126 126 ALA CA C 126 51.636 50.223 1.413 1
1 1488 . 10 1 1 A 126 126 ALA CB C 126 19.845 21.003 -1.158 1
1 1489 . 10 1 1 A 126 126 ALA C C 126 176.876 176.528 0.348 1
1 1490 . 10 1 1 A 126 126 ALA H H 126 8.640 9.041 -0.401 1
1 1491 . 10 1 1 A 126 126 ALA HA H 126 4.216 5.193 -0.977 1
1 1495 . 10 1 1 A 127 127 GLU N N 127 120.600 122.427 -1.827 1
1 1496 . 10 1 1 A 127 127 GLU CA C 127 56.142 55.234 0.908 1
1 1497 . 10 1 1 A 127 127 GLU CB C 127 29.996 29.069 0.927 1
1 1499 . 10 1 1 A 127 127 GLU C C 127 175.129 174.893 0.236 1
1 1500 . 10 1 1 A 127 127 GLU H H 127 8.204 8.707 -0.503 1
1 1501 . 10 1 1 A 127 127 GLU HA H 127 4.176 4.579 -0.403 1
1 12 . 11 1 1 A 2 2 LYS N N 2 123.200 121.369 1.831 1
1 13 . 11 1 1 A 2 2 LYS CA C 2 55.550 54.852 0.698 1
1 14 . 11 1 1 A 2 2 LYS CB C 2 31.730 32.873 -1.143 1
1 18 . 11 1 1 A 2 2 LYS H H 2 8.320 9.075 -0.755 1
1 19 . 11 1 1 A 2 2 LYS C C 2 176.041 176.352 -0.311 1
1 20 . 11 1 1 A 2 2 LYS HA H 2 4.413 4.725 -0.312 1
1 29 . 11 1 1 A 3 3 LEU N N 3 124.700 125.639 -0.939 1
1 30 . 11 1 1 A 3 3 LEU CA C 3 53.800 56.336 -2.536 1
1 31 . 11 1 1 A 3 3 LEU CB C 3 43.351 43.148 0.203 1
1 35 . 11 1 1 A 3 3 LEU C C 3 173.289 177.417 -4.128 1
1 36 . 11 1 1 A 3 3 LEU H H 3 8.319 8.849 -0.530 1
1 37 . 11 1 1 A 3 3 LEU HA H 3 4.363 6.097 -1.734 1
1 47 . 11 1 1 A 4 4 GLY N N 4 102.100 106.862 -4.762 1
1 48 . 11 1 1 A 4 4 GLY CA C 4 44.232 44.939 -0.707 1
1 49 . 11 1 1 A 4 4 GLY C C 4 174.476 172.874 1.602 1
1 50 . 11 1 1 A 4 4 GLY H H 4 7.412 7.850 -0.438 1
1 51 . 11 1 1 A 4 4 GLY HA3 H 4 4.367 4.000 0.367 1
1 52 . 11 1 1 A 4 4 GLY HA2 H 4 3.662 3.995 -0.333 1
1 53 . 11 1 1 A 5 5 LYS N N 5 114.993 119.826 -4.833 1
1 54 . 11 1 1 A 5 5 LYS CA C 5 54.807 54.456 0.351 1
1 55 . 11 1 1 A 5 5 LYS CB C 5 36.664 36.733 -0.069 1
1 59 . 11 1 1 A 5 5 LYS C C 5 173.762 174.724 -0.962 1
1 60 . 11 1 1 A 5 5 LYS H H 5 8.748 8.406 0.342 1
1 61 . 11 1 1 A 5 5 LYS HA H 5 5.333 4.957 0.376 1
1 70 . 11 1 1 A 6 6 LEU N N 6 122.195 122.305 -0.110 1
1 71 . 11 1 1 A 6 6 LEU CA C 6 53.760 53.442 0.318 1
1 72 . 11 1 1 A 6 6 LEU CB C 6 47.948 44.539 3.409 1
1 76 . 11 1 1 A 6 6 LEU C C 6 172.524 174.508 -1.984 1
1 77 . 11 1 1 A 6 6 LEU H H 6 9.058 9.551 -0.493 1
1 78 . 11 1 1 A 6 6 LEU HA H 6 5.312 6.053 -0.741 1
1 88 . 11 1 1 A 7 7 GLN N N 7 127.800 126.657 1.143 1
1 90 . 11 1 1 A 7 7 GLN CA C 7 52.595 55.346 -2.751 1
1 91 . 11 1 1 A 7 7 GLN CB C 7 28.032 29.624 -1.592 1
1 93 . 11 1 1 A 7 7 GLN C C 7 173.707 175.426 -1.719 1
1 94 . 11 1 1 A 7 7 GLN H H 7 8.945 8.666 0.279 1
1 95 . 11 1 1 A 7 7 GLN HA H 7 5.170 4.929 0.241 1
1 102 . 11 1 1 A 8 8 TYR N N 8 125.700 121.874 3.826 1
1 103 . 11 1 1 A 8 8 TYR CA C 8 54.578 55.645 -1.067 1
1 104 . 11 1 1 A 8 8 TYR CB C 8 42.236 41.825 0.411 1
1 105 . 11 1 1 A 8 8 TYR C C 8 171.582 173.782 -2.200 1
1 106 . 11 1 1 A 8 8 TYR H H 8 8.445 8.762 -0.317 1
1 107 . 11 1 1 A 8 8 TYR HA H 8 5.401 5.587 -0.186 1
1 110 . 11 1 1 A 9 9 SER N N 9 113.300 116.339 -3.039 1
1 111 . 11 1 1 A 9 9 SER H H 9 9.486 9.211 0.275 1
1 112 . 11 1 1 A 9 9 SER CA C 9 55.195 57.683 -2.488 1
1 113 . 11 1 1 A 9 9 SER CB C 9 67.116 65.936 1.180 1
1 114 . 11 1 1 A 9 9 SER C C 9 173.486 173.134 0.352 1
1 115 . 11 1 1 A 9 9 SER HA H 9 5.400 5.870 -0.470 1
1 118 . 11 1 1 A 10 10 LEU N N 10 120.700 127.770 -7.070 1
1 119 . 11 1 1 A 10 10 LEU CA C 10 53.388 53.577 -0.189 1
1 120 . 11 1 1 A 10 10 LEU CB C 10 46.946 43.989 2.957 1
1 121 . 11 1 1 A 10 10 LEU C C 10 174.640 175.199 -0.559 1
1 125 . 11 1 1 A 10 10 LEU H H 10 8.698 9.689 -0.991 1
1 126 . 11 1 1 A 10 10 LEU HA H 10 5.471 5.936 -0.465 1
1 136 . 11 1 1 A 11 11 ASP N N 11 119.760 125.121 -5.361 1
1 137 . 11 1 1 A 11 11 ASP CA C 11 52.525 52.563 -0.038 1
1 138 . 11 1 1 A 11 11 ASP CB C 11 44.683 45.420 -0.737 1
1 139 . 11 1 1 A 11 11 ASP C C 11 173.093 173.465 -0.372 1
1 140 . 11 1 1 A 11 11 ASP H H 11 8.673 9.313 -0.640 1
1 141 . 11 1 1 A 11 11 ASP HA H 11 5.126 5.769 -0.643 1
1 144 . 11 1 1 A 12 12 TYR N N 12 124.200 123.087 1.113 1
1 145 . 11 1 1 A 12 12 TYR CA C 12 57.883 56.203 1.680 1
1 146 . 11 1 1 A 12 12 TYR CB C 12 40.054 41.717 -1.663 1
1 147 . 11 1 1 A 12 12 TYR C C 12 171.962 173.317 -1.355 1
1 148 . 11 1 1 A 12 12 TYR H H 12 8.898 8.795 0.103 1
1 149 . 11 1 1 A 12 12 TYR HA H 12 4.609 5.254 -0.645 1
1 154 . 11 1 1 A 13 13 ASP N N 13 126.400 128.807 -2.407 1
1 155 . 11 1 1 A 13 13 ASP CA C 13 51.141 52.384 -1.243 1
1 156 . 11 1 1 A 13 13 ASP CB C 13 40.891 40.728 0.163 1
1 157 . 11 1 1 A 13 13 ASP C C 13 175.599 175.959 -0.360 1
1 158 . 11 1 1 A 13 13 ASP H H 13 8.018 8.423 -0.405 1
1 159 . 11 1 1 A 13 13 ASP HA H 13 4.591 4.465 0.126 1
1 162 . 11 1 1 A 14 14 PHE N N 14 123.575 123.688 -0.113 1
1 163 . 11 1 1 A 14 14 PHE CA C 14 60.734 57.861 2.873 1
1 164 . 11 1 1 A 14 14 PHE CB C 14 38.821 38.393 0.428 1
1 165 . 11 1 1 A 14 14 PHE C C 14 176.704 175.749 0.955 1
1 166 . 11 1 1 A 14 14 PHE H H 14 8.540 7.362 1.178 1
1 167 . 11 1 1 A 14 14 PHE HA H 14 4.187 3.318 0.869 1
1 170 . 11 1 1 A 15 15 GLN N N 15 118.500 117.020 1.480 1
1 172 . 11 1 1 A 15 15 GLN CA C 15 57.927 55.813 2.114 1
1 173 . 11 1 1 A 15 15 GLN CB C 15 28.129 28.181 -0.052 1
1 175 . 11 1 1 A 15 15 GLN C C 15 176.646 176.593 0.053 1
1 176 . 11 1 1 A 15 15 GLN H H 15 8.307 7.516 0.791 1
1 177 . 11 1 1 A 15 15 GLN HA H 15 4.150 4.220 -0.070 1
1 184 . 11 1 1 A 16 16 ASN N N 16 113.392 116.859 -3.467 1
1 185 . 11 1 1 A 16 16 ASN CA C 16 52.051 51.819 0.232 1
1 186 . 11 1 1 A 16 16 ASN CB C 16 39.238 37.763 1.475 1
1 187 . 11 1 1 A 16 16 ASN C C 16 173.191 174.971 -1.780 1
1 188 . 11 1 1 A 16 16 ASN H H 16 7.347 7.692 -0.345 1
1 189 . 11 1 1 A 16 16 ASN HA H 16 4.682 4.633 0.049 1
1 195 . 11 1 1 A 17 17 ASN N N 17 118.200 114.845 3.355 1
1 196 . 11 1 1 A 17 17 ASN CA C 17 54.524 54.439 0.085 1
1 197 . 11 1 1 A 17 17 ASN CB C 17 36.825 36.785 0.040 1
1 198 . 11 1 1 A 17 17 ASN C C 17 175.797 173.745 2.052 1
1 199 . 11 1 1 A 17 17 ASN H H 17 7.682 7.782 -0.100 1
1 200 . 11 1 1 A 17 17 ASN HA H 17 4.300 4.130 0.170 1
1 206 . 11 1 1 A 18 18 GLN N N 18 110.518 113.759 -3.241 1
1 208 . 11 1 1 A 18 18 GLN CA C 18 52.888 54.020 -1.132 1
1 209 . 11 1 1 A 18 18 GLN CB C 18 31.353 31.518 -0.165 1
1 211 . 11 1 1 A 18 18 GLN C C 18 171.717 173.993 -2.276 1
1 212 . 11 1 1 A 18 18 GLN H H 18 6.757 7.525 -0.768 1
1 213 . 11 1 1 A 18 18 GLN HA H 18 4.911 4.955 -0.044 1
1 220 . 11 1 1 A 19 19 LEU N N 19 124.400 124.522 -0.122 1
1 221 . 11 1 1 A 19 19 LEU CA C 19 53.873 54.460 -0.587 1
1 222 . 11 1 1 A 19 19 LEU CB C 19 44.558 41.868 2.690 1
1 226 . 11 1 1 A 19 19 LEU C C 19 173.731 176.045 -2.314 1
1 227 . 11 1 1 A 19 19 LEU H H 19 9.048 8.894 0.154 1
1 228 . 11 1 1 A 19 19 LEU HA H 19 4.543 4.532 0.011 1
1 238 . 11 1 1 A 20 20 LEU N N 20 128.415 126.091 2.324 1
1 239 . 11 1 1 A 20 20 LEU CA C 20 53.695 53.427 0.268 1
1 240 . 11 1 1 A 20 20 LEU CB C 20 41.956 45.581 -3.625 1
1 244 . 11 1 1 A 20 20 LEU C C 20 175.696 174.836 0.860 1
1 245 . 11 1 1 A 20 20 LEU H H 20 9.021 9.370 -0.349 1
1 246 . 11 1 1 A 20 20 LEU HA H 20 4.852 5.257 -0.405 1
1 256 . 11 1 1 A 21 21 VAL N N 21 125.838 127.246 -1.408 1
1 257 . 11 1 1 A 21 21 VAL CA C 21 60.511 61.542 -1.031 1
1 258 . 11 1 1 A 21 21 VAL CB C 21 45.331 32.189 13.142 1
1 260 . 11 1 1 A 21 21 VAL C C 21 173.979 174.860 -0.881 1
1 261 . 11 1 1 A 21 21 VAL H H 21 9.073 9.293 -0.220 1
1 262 . 11 1 1 A 21 21 VAL HA H 21 4.853 4.511 0.342 1
1 270 . 11 1 1 A 22 22 GLY N N 22 117.254 113.534 3.720 1
1 271 . 11 1 1 A 22 22 GLY CA C 22 43.843 46.851 -3.008 1
1 272 . 11 1 1 A 22 22 GLY C C 22 172.485 173.767 -1.282 1
1 273 . 11 1 1 A 22 22 GLY H H 22 9.486 8.539 0.947 1
1 274 . 11 1 1 A 22 22 GLY HA3 H 22 4.653 4.238 0.415 1
1 275 . 11 1 1 A 22 22 GLY HA2 H 22 3.520 4.163 -0.643 1
1 276 . 11 1 1 A 23 23 ILE N N 23 125.106 122.207 2.899 1
1 277 . 11 1 1 A 23 23 ILE CA C 23 58.182 60.746 -2.564 1
1 278 . 11 1 1 A 23 23 ILE CB C 23 35.290 39.135 -3.845 1
1 282 . 11 1 1 A 23 23 ILE C C 23 174.346 176.392 -2.046 1
1 283 . 11 1 1 A 23 23 ILE H H 23 8.831 8.128 0.703 1
1 284 . 11 1 1 A 23 23 ILE HA H 23 4.330 4.685 -0.355 1
1 294 . 11 1 1 A 24 24 ILE N N 24 126.735 122.731 4.004 1
1 295 . 11 1 1 A 24 24 ILE CA C 24 65.005 61.617 3.388 1
1 296 . 11 1 1 A 24 24 ILE CB C 24 37.790 38.352 -0.562 1
1 300 . 11 1 1 A 24 24 ILE C C 24 177.149 176.232 0.917 1
1 301 . 11 1 1 A 24 24 ILE H H 24 8.365 8.442 -0.077 1
1 302 . 11 1 1 A 24 24 ILE HA H 24 3.903 4.372 -0.469 1
1 312 . 11 1 1 A 25 25 GLN N N 25 110.662 119.122 -8.460 1
1 314 . 11 1 1 A 25 25 GLN CA C 25 54.295 54.664 -0.369 1
1 315 . 11 1 1 A 25 25 GLN CB C 25 30.953 32.213 -1.260 1
1 317 . 11 1 1 A 25 25 GLN C C 25 171.152 173.432 -2.280 1
1 318 . 11 1 1 A 25 25 GLN H H 25 7.706 7.699 0.007 1
1 319 . 11 1 1 A 25 25 GLN HA H 25 5.123 4.864 0.259 1
1 325 . 11 1 1 A 26 26 ALA N N 26 121.300 123.242 -1.942 1
1 326 . 11 1 1 A 26 26 ALA CA C 26 49.951 50.305 -0.354 1
1 327 . 11 1 1 A 26 26 ALA CB C 26 22.406 22.565 -0.159 1
1 328 . 11 1 1 A 26 26 ALA C C 26 171.937 175.685 -3.748 1
1 329 . 11 1 1 A 26 26 ALA H H 26 9.195 8.731 0.464 1
1 330 . 11 1 1 A 26 26 ALA HA H 26 5.740 6.136 -0.396 1
1 334 . 11 1 1 A 27 27 ALA N N 27 120.100 121.451 -1.351 1
1 335 . 11 1 1 A 27 27 ALA CA C 27 50.524 50.604 -0.080 1
1 336 . 11 1 1 A 27 27 ALA CB C 27 24.047 21.488 2.559 1
1 337 . 11 1 1 A 27 27 ALA C C 27 174.984 176.870 -1.886 1
1 338 . 11 1 1 A 27 27 ALA H H 27 9.118 8.516 0.602 1
1 339 . 11 1 1 A 27 27 ALA HA H 27 5.353 4.802 0.551 1
1 343 . 11 1 1 A 28 28 GLU N N 28 112.600 119.683 -7.083 1
1 344 . 11 1 1 A 28 28 GLU CA C 28 56.032 57.200 -1.168 1
1 345 . 11 1 1 A 28 28 GLU CB C 28 25.966 27.505 -1.539 1
1 347 . 11 1 1 A 28 28 GLU C C 28 174.427 175.715 -1.288 1
1 348 . 11 1 1 A 28 28 GLU H H 28 8.453 8.728 -0.275 1
1 349 . 11 1 1 A 28 28 GLU HA H 28 3.648 3.808 -0.160 1
1 354 . 11 1 1 A 29 29 LEU N N 29 116.093 120.495 -4.402 1
1 355 . 11 1 1 A 29 29 LEU CA C 29 53.295 53.073 0.222 1
1 356 . 11 1 1 A 29 29 LEU CB C 29 39.640 40.681 -1.041 1
1 360 . 11 1 1 A 29 29 LEU C C 29 173.800 174.503 -0.703 1
1 361 . 11 1 1 A 29 29 LEU H H 29 7.951 8.294 -0.343 1
1 362 . 11 1 1 A 29 29 LEU HA H 29 4.330 4.471 -0.141 1
1 372 . 11 1 1 A 30 30 PRO CA C 30 61.760 62.637 -0.877 1
1 373 . 11 1 1 A 30 30 PRO CB C 30 31.492 31.948 -0.456 1
1 376 . 11 1 1 A 30 30 PRO C C 30 175.525 176.572 -1.047 1
1 377 . 11 1 1 A 30 30 PRO HA H 30 4.327 4.471 -0.144 1
1 383 . 11 1 1 A 31 31 ALA N N 31 122.487 124.362 -1.875 1
1 384 . 11 1 1 A 31 31 ALA CA C 31 50.604 52.229 -1.625 1
1 385 . 11 1 1 A 31 31 ALA CB C 31 18.576 19.558 -0.982 1
1 386 . 11 1 1 A 31 31 ALA C C 31 177.222 177.177 0.045 1
1 387 . 11 1 1 A 31 31 ALA H H 31 8.128 8.312 -0.184 1
1 388 . 11 1 1 A 31 31 ALA HA H 31 4.130 4.526 -0.396 1
1 392 . 11 1 1 A 32 32 LEU N N 32 124.400 124.699 -0.299 1
1 393 . 11 1 1 A 32 32 LEU CA C 32 55.041 53.683 1.358 1
1 394 . 11 1 1 A 32 32 LEU CB C 32 42.916 42.017 0.899 1
1 398 . 11 1 1 A 32 32 LEU C C 32 176.852 174.829 2.023 1
1 399 . 11 1 1 A 32 32 LEU H H 32 8.035 8.229 -0.194 1
1 400 . 11 1 1 A 32 32 LEU HA H 32 4.240 4.745 -0.505 1
1 410 . 11 1 1 A 33 33 ASP N N 33 119.800 120.017 -0.217 1
1 411 . 11 1 1 A 33 33 ASP CA C 33 52.948 53.219 -0.271 1
1 412 . 11 1 1 A 33 33 ASP CB C 33 41.578 44.938 -3.360 1
1 413 . 11 1 1 A 33 33 ASP C C 33 176.200 173.929 2.271 1
1 414 . 11 1 1 A 33 33 ASP H H 33 8.400 7.209 1.191 1
1 415 . 11 1 1 A 33 33 ASP HA H 33 4.785 5.024 -0.239 1
1 418 . 11 1 1 A 34 34 MET N N 34 120.000 122.311 -2.311 1
1 419 . 11 1 1 A 34 34 MET CA C 34 56.561 54.463 2.098 1
1 420 . 11 1 1 A 34 34 MET CB C 34 31.288 31.121 0.167 1
1 422 . 11 1 1 A 34 34 MET C C 34 176.483 176.585 -0.102 1
1 423 . 11 1 1 A 34 34 MET H H 34 8.492 8.847 -0.355 1
1 424 . 11 1 1 A 34 34 MET HA H 34 4.213 4.546 -0.333 1
1 429 . 11 1 1 A 35 35 GLY N N 35 110.400 109.538 0.862 1
1 430 . 11 1 1 A 35 35 GLY CA C 35 44.884 45.437 -0.553 1
1 431 . 11 1 1 A 35 35 GLY C C 35 174.831 175.162 -0.331 1
1 432 . 11 1 1 A 35 35 GLY H H 35 8.668 8.245 0.423 1
1 433 . 11 1 1 A 35 35 GLY HA3 H 35 4.039 4.114 -0.075 1
1 434 . 11 1 1 A 35 35 GLY HA2 H 35 3.818 4.109 -0.291 1
1 435 . 11 1 1 A 36 36 GLY N N 36 107.400 109.635 -2.235 1
1 436 . 11 1 1 A 36 36 GLY CA C 36 45.427 46.664 -1.237 1
1 437 . 11 1 1 A 36 36 GLY C C 36 173.194 173.593 -0.399 1
1 438 . 11 1 1 A 36 36 GLY H H 36 8.008 8.202 -0.194 1
1 439 . 11 1 1 A 36 36 GLY HA3 H 36 4.000 3.949 0.051 1
1 440 . 11 1 1 A 36 36 GLY HA2 H 36 3.861 3.948 -0.087 1
1 441 . 11 1 1 A 37 37 THR N N 37 111.100 110.218 0.882 1
1 442 . 11 1 1 A 37 37 THR CA C 37 59.954 59.731 0.223 1
1 443 . 11 1 1 A 37 37 THR CB C 37 70.589 72.755 -2.166 1
1 445 . 11 1 1 A 37 37 THR C C 37 171.355 172.657 -1.302 1
1 446 . 11 1 1 A 37 37 THR H H 37 7.476 7.531 -0.055 1
1 447 . 11 1 1 A 37 37 THR HA H 37 4.511 5.074 -0.563 1
1 450 . 11 1 1 A 38 38 SER N N 38 115.811 114.736 1.075 1
1 451 . 11 1 1 A 38 38 SER CA C 38 57.664 56.346 1.318 1
1 452 . 11 1 1 A 38 38 SER CB C 38 70.510 66.086 4.424 1
1 453 . 11 1 1 A 38 38 SER C C 38 170.198 173.600 -3.402 1
1 454 . 11 1 1 A 38 38 SER H H 38 7.257 8.906 -1.649 1
1 455 . 11 1 1 A 38 38 SER HA H 38 4.707 5.336 -0.629 1
1 458 . 11 1 1 A 39 39 ASP N N 39 121.288 120.996 0.292 1
1 459 . 11 1 1 A 39 39 ASP CA C 39 51.058 51.790 -0.732 1
1 460 . 11 1 1 A 39 39 ASP CB C 39 42.210 41.937 0.273 1
1 461 . 11 1 1 A 39 39 ASP C C 39 172.500 173.520 -1.020 1
1 462 . 11 1 1 A 39 39 ASP H H 39 8.698 8.869 -0.171 1
1 463 . 11 1 1 A 39 39 ASP HA H 39 5.940 6.176 -0.236 1
1 466 . 11 1 1 A 40 40 PRO CA C 40 62.440 62.873 -0.433 1
1 467 . 11 1 1 A 40 40 PRO CB C 40 34.370 32.958 1.412 1
1 470 . 11 1 1 A 40 40 PRO C C 40 176.317 176.265 0.052 1
1 471 . 11 1 1 A 40 40 PRO HA H 40 5.826 5.005 0.821 1
1 478 . 11 1 1 A 41 41 TYR N N 41 113.769 118.408 -4.639 1
1 479 . 11 1 1 A 41 41 TYR CA C 41 56.150 56.446 -0.296 1
1 480 . 11 1 1 A 41 41 TYR CB C 41 40.246 41.054 -0.808 1
1 481 . 11 1 1 A 41 41 TYR C C 41 171.425 173.417 -1.992 1
1 482 . 11 1 1 A 41 41 TYR H H 41 8.703 8.664 0.039 1
1 483 . 11 1 1 A 41 41 TYR HA H 41 4.795 5.117 -0.322 1
1 487 . 11 1 1 A 42 42 VAL N N 42 119.919 119.561 0.358 1
1 488 . 11 1 1 A 42 42 VAL CA C 42 60.064 61.354 -1.290 1
1 489 . 11 1 1 A 42 42 VAL CB C 42 33.816 32.636 1.180 1
1 492 . 11 1 1 A 42 42 VAL C C 42 174.456 175.190 -0.734 1
1 493 . 11 1 1 A 42 42 VAL HA H 42 5.020 4.676 0.344 1
1 501 . 11 1 1 A 43 43 LYS N N 43 125.776 127.191 -1.415 1
1 502 . 11 1 1 A 43 43 LYS CA C 43 54.601 55.519 -0.918 1
1 503 . 11 1 1 A 43 43 LYS CB C 43 36.096 32.719 3.377 1
1 507 . 11 1 1 A 43 43 LYS C C 43 174.518 175.579 -1.061 1
1 508 . 11 1 1 A 43 43 LYS H H 43 9.415 9.761 -0.346 1
1 509 . 11 1 1 A 43 43 LYS HA H 43 5.374 3.666 1.708 1
1 518 . 11 1 1 A 44 44 VAL N N 44 121.484 121.137 0.347 1
1 519 . 11 1 1 A 44 44 VAL CA C 44 59.365 61.375 -2.010 1
1 520 . 11 1 1 A 44 44 VAL CB C 44 34.818 33.313 1.505 1
1 523 . 11 1 1 A 44 44 VAL C C 44 173.928 175.343 -1.415 1
1 524 . 11 1 1 A 44 44 VAL H H 44 8.845 8.752 0.093 1
1 525 . 11 1 1 A 44 44 VAL HA H 44 5.326 5.098 0.228 1
1 533 . 11 1 1 A 45 45 PHE N N 45 120.600 120.691 -0.091 1
1 534 . 11 1 1 A 45 45 PHE CA C 45 55.886 56.062 -0.176 1
1 535 . 11 1 1 A 45 45 PHE CB C 45 39.882 41.554 -1.672 1
1 536 . 11 1 1 A 45 45 PHE C C 45 171.102 172.333 -1.231 1
1 537 . 11 1 1 A 45 45 PHE H H 45 8.254 8.136 0.118 1
1 538 . 11 1 1 A 45 45 PHE HA H 45 4.971 5.399 -0.428 1
1 541 . 11 1 1 A 46 46 LEU N N 46 121.444 120.762 0.682 1
1 542 . 11 1 1 A 46 46 LEU CA C 46 52.376 53.516 -1.140 1
1 543 . 11 1 1 A 46 46 LEU CB C 46 43.229 46.228 -2.999 1
1 547 . 11 1 1 A 46 46 LEU C C 46 176.176 175.868 0.308 1
1 548 . 11 1 1 A 46 46 LEU H H 46 9.137 8.905 0.232 1
1 549 . 11 1 1 A 46 46 LEU HA H 46 4.189 4.901 -0.712 1
1 559 . 11 1 1 A 47 47 LEU N N 47 123.900 122.032 1.868 1
1 560 . 11 1 1 A 47 47 LEU CA C 47 52.926 52.536 0.390 1
1 561 . 11 1 1 A 47 47 LEU CB C 47 41.010 41.656 -0.646 1
1 565 . 11 1 1 A 47 47 LEU C C 47 175.800 176.803 -1.003 1
1 566 . 11 1 1 A 47 47 LEU H H 47 8.945 8.854 0.091 1
1 567 . 11 1 1 A 47 47 LEU HA H 47 4.185 4.768 -0.583 1
1 577 . 11 1 1 A 48 48 PRO CA C 48 62.992 65.355 -2.363 1
1 578 . 11 1 1 A 48 48 PRO CB C 48 24.080 31.903 -7.823 1
1 581 . 11 1 1 A 48 48 PRO C C 48 176.188 177.770 -1.582 1
1 582 . 11 1 1 A 48 48 PRO HA H 48 4.474 4.313 0.161 1
1 588 . 11 1 1 A 49 49 ASP N N 49 113.800 116.862 -3.062 1
1 589 . 11 1 1 A 49 49 ASP CA C 49 55.199 56.896 -1.697 1
1 590 . 11 1 1 A 49 49 ASP CB C 49 40.158 41.477 -1.319 1
1 591 . 11 1 1 A 49 49 ASP C C 49 175.304 176.131 -0.827 1
1 592 . 11 1 1 A 49 49 ASP H H 49 8.467 9.049 -0.582 1
1 593 . 11 1 1 A 49 49 ASP HA H 49 4.576 4.478 0.098 1
1 596 . 11 1 1 A 50 50 LYS N N 50 120.081 119.149 0.932 1
1 597 . 11 1 1 A 50 50 LYS CA C 50 56.803 57.394 -0.591 1
1 598 . 11 1 1 A 50 50 LYS CB C 50 32.059 30.717 1.342 1
1 602 . 11 1 1 A 50 50 LYS H H 50 8.329 8.086 0.243 1
1 603 . 11 1 1 A 50 50 LYS HA H 50 3.949 4.089 -0.140 1
1 604 . 11 1 1 A 50 50 LYS C C 50 175.754 176.661 -0.907 1
1 613 . 11 1 1 A 51 51 LYS N N 51 117.896 117.990 -0.094 1
1 614 . 11 1 1 A 51 51 LYS CA C 51 57.360 56.046 1.314 1
1 615 . 11 1 1 A 51 51 LYS CB C 51 32.230 32.737 -0.507 1
1 619 . 11 1 1 A 51 51 LYS H H 51 8.099 8.906 -0.807 1
1 620 . 11 1 1 A 51 51 LYS HA H 51 3.950 4.461 -0.511 1
1 621 . 11 1 1 A 51 51 LYS C C 51 176.619 175.506 1.113 1
1 630 . 11 1 1 A 52 52 LYS N N 52 120.200 118.353 1.847 1
1 631 . 11 1 1 A 52 52 LYS CA C 52 54.688 55.029 -0.341 1
1 632 . 11 1 1 A 52 52 LYS CB C 52 31.829 33.776 -1.947 1
1 636 . 11 1 1 A 52 52 LYS H H 52 7.447 7.790 -0.343 1
1 637 . 11 1 1 A 52 52 LYS HA H 52 4.259 4.720 -0.461 1
1 638 . 11 1 1 A 52 52 LYS C C 52 173.420 175.235 -1.815 1
1 647 . 11 1 1 A 53 53 LYS N N 53 123.119 123.200 -0.081 1
1 648 . 11 1 1 A 53 53 LYS CA C 53 53.698 55.955 -2.257 1
1 649 . 11 1 1 A 53 53 LYS CB C 53 41.592 32.638 8.954 1
1 653 . 11 1 1 A 53 53 LYS H H 53 7.810 8.521 -0.711 1
1 654 . 11 1 1 A 53 53 LYS HA H 53 5.004 4.580 0.424 1
1 655 . 11 1 1 A 53 53 LYS C C 53 174.468 176.177 -1.709 1
1 664 . 11 1 1 A 54 54 PHE N N 54 120.200 121.095 -0.895 1
1 665 . 11 1 1 A 54 54 PHE CA C 54 56.583 55.309 1.274 1
1 666 . 11 1 1 A 54 54 PHE CB C 54 42.110 41.958 0.152 1
1 667 . 11 1 1 A 54 54 PHE C C 54 173.801 174.325 -0.524 1
1 668 . 11 1 1 A 54 54 PHE H H 54 8.490 8.884 -0.394 1
1 669 . 11 1 1 A 54 54 PHE HA H 54 4.680 5.394 -0.714 1
1 672 . 11 1 1 A 55 55 GLU N N 55 117.600 119.904 -2.304 1
1 673 . 11 1 1 A 55 55 GLU CA C 55 53.537 56.090 -2.553 1
1 674 . 11 1 1 A 55 55 GLU CB C 55 33.241 32.033 1.208 1
1 676 . 11 1 1 A 55 55 GLU C C 55 176.694 174.680 2.014 1
1 677 . 11 1 1 A 55 55 GLU H H 55 8.309 8.591 -0.282 1
1 678 . 11 1 1 A 55 55 GLU HA H 55 5.690 4.563 1.127 1
1 683 . 11 1 1 A 56 56 THR N N 56 111.700 120.756 -9.056 1
1 684 . 11 1 1 A 56 56 THR CA C 56 60.989 60.715 0.274 1
1 685 . 11 1 1 A 56 56 THR CB C 56 71.860 70.296 1.564 1
1 687 . 11 1 1 A 56 56 THR C C 56 174.385 174.341 0.044 1
1 688 . 11 1 1 A 56 56 THR H H 56 8.775 8.700 0.075 1
1 689 . 11 1 1 A 56 56 THR HA H 56 4.838 5.384 -0.546 1
1 692 . 11 1 1 A 57 57 LYS N N 57 119.500 122.345 -2.845 1
1 693 . 11 1 1 A 57 57 LYS CA C 57 56.775 56.078 0.697 1
1 694 . 11 1 1 A 57 57 LYS CB C 57 32.743 32.732 0.011 1
1 698 . 11 1 1 A 57 57 LYS H H 57 9.787 7.604 2.183 1
1 699 . 11 1 1 A 57 57 LYS HA H 57 4.151 4.073 0.078 1
1 700 . 11 1 1 A 57 57 LYS C C 57 177.417 176.184 1.233 1
1 709 . 11 1 1 A 58 58 VAL N N 58 123.100 126.171 -3.071 1
1 710 . 11 1 1 A 58 58 VAL CA C 58 61.870 62.845 -0.975 1
1 711 . 11 1 1 A 58 58 VAL CB C 58 32.081 31.697 0.384 1
1 714 . 11 1 1 A 58 58 VAL C C 58 176.850 175.676 1.174 1
1 715 . 11 1 1 A 58 58 VAL H H 58 8.120 8.251 -0.131 1
1 716 . 11 1 1 A 58 58 VAL HA H 58 4.284 3.958 0.326 1
1 724 . 11 1 1 A 59 59 HIS N N 59 128.800 127.516 1.284 1
1 725 . 11 1 1 A 59 59 HIS CA C 59 54.311 55.027 -0.716 1
1 726 . 11 1 1 A 59 59 HIS CB C 59 30.426 29.139 1.287 1
1 727 . 11 1 1 A 59 59 HIS C C 59 172.101 174.747 -2.646 1
1 728 . 11 1 1 A 59 59 HIS H H 59 8.550 8.781 -0.231 1
1 729 . 11 1 1 A 59 59 HIS HA H 59 4.457 4.979 -0.522 1
1 732 . 11 1 1 A 60 60 ARG N N 60 118.700 123.447 -4.747 1
1 733 . 11 1 1 A 60 60 ARG CA C 60 55.702 56.289 -0.587 1
1 734 . 11 1 1 A 60 60 ARG CB C 60 30.713 30.310 0.403 1
1 737 . 11 1 1 A 60 60 ARG C C 60 176.252 176.428 -0.176 1
1 738 . 11 1 1 A 60 60 ARG H H 60 8.211 8.554 -0.343 1
1 739 . 11 1 1 A 60 60 ARG HA H 60 4.389 4.925 -0.536 1
1 746 . 11 1 1 A 61 61 LYS N N 61 122.500 120.156 2.344 1
1 747 . 11 1 1 A 61 61 LYS CA C 61 55.977 57.097 -1.120 1
1 748 . 11 1 1 A 61 61 LYS CB C 61 29.711 29.494 0.217 1
1 752 . 11 1 1 A 61 61 LYS H H 61 9.608 9.290 0.318 1
1 753 . 11 1 1 A 61 61 LYS HA H 61 3.946 4.105 -0.159 1
1 754 . 11 1 1 A 61 61 LYS C C 61 175.083 175.044 0.039 1
1 763 . 11 1 1 A 62 62 THR N N 62 113.400 113.261 0.139 1
1 764 . 11 1 1 A 62 62 THR CA C 62 59.755 60.758 -1.003 1
1 765 . 11 1 1 A 62 62 THR CB C 62 63.417 71.275 -7.858 1
1 767 . 11 1 1 A 62 62 THR C C 62 170.120 172.404 -2.284 1
1 768 . 11 1 1 A 62 62 THR H H 62 8.470 8.185 0.285 1
1 769 . 11 1 1 A 62 62 THR HA H 62 4.703 4.749 -0.046 1
1 772 . 11 1 1 A 63 63 LEU N N 63 123.100 129.002 -5.902 1
1 773 . 11 1 1 A 63 63 LEU CA C 63 52.833 54.627 -1.794 1
1 774 . 11 1 1 A 63 63 LEU CB C 63 40.311 42.029 -1.718 1
1 778 . 11 1 1 A 63 63 LEU C C 63 175.135 176.670 -1.535 1
1 779 . 11 1 1 A 63 63 LEU H H 63 8.257 8.628 -0.371 1
1 780 . 11 1 1 A 63 63 LEU HA H 63 4.483 4.515 -0.032 1
1 790 . 11 1 1 A 64 64 ASN N N 64 114.829 118.086 -3.257 1
1 792 . 11 1 1 A 64 64 ASN CA C 64 50.610 50.335 0.275 1
1 793 . 11 1 1 A 64 64 ASN CB C 64 40.550 38.870 1.680 1
1 794 . 11 1 1 A 64 64 ASN C C 64 171.500 173.295 -1.795 1
1 795 . 11 1 1 A 64 64 ASN H H 64 8.306 7.906 0.400 1
1 796 . 11 1 1 A 64 64 ASN HA H 64 5.450 5.161 0.289 1
1 801 . 11 1 1 A 65 65 PRO CA C 65 61.914 61.980 -0.066 1
1 802 . 11 1 1 A 65 65 PRO CB C 65 30.780 32.352 -1.572 1
1 805 . 11 1 1 A 65 65 PRO C C 65 173.852 175.601 -1.749 1
1 806 . 11 1 1 A 65 65 PRO HA H 65 3.970 4.855 -0.885 1
1 813 . 11 1 1 A 66 66 VAL N N 66 121.000 121.728 -0.728 1
1 814 . 11 1 1 A 66 66 VAL CA C 66 61.782 60.788 0.994 1
1 815 . 11 1 1 A 66 66 VAL CB C 66 32.721 36.115 -3.394 1
1 818 . 11 1 1 A 66 66 VAL C C 66 175.152 176.178 -1.026 1
1 819 . 11 1 1 A 66 66 VAL H H 66 7.926 8.638 -0.712 1
1 820 . 11 1 1 A 66 66 VAL HA H 66 3.807 4.662 -0.855 1
1 828 . 11 1 1 A 67 67 PHE N N 67 123.400 126.865 -3.465 1
1 829 . 11 1 1 A 67 67 PHE CA C 67 59.262 61.324 -2.062 1
1 830 . 11 1 1 A 67 67 PHE CB C 67 39.849 40.096 -0.247 1
1 831 . 11 1 1 A 67 67 PHE C C 67 175.748 175.375 0.373 1
1 832 . 11 1 1 A 67 67 PHE H H 67 8.150 9.395 -1.245 1
1 833 . 11 1 1 A 67 67 PHE HA H 67 4.378 4.160 0.218 1
1 836 . 11 1 1 A 68 68 ASN N N 68 117.500 116.316 1.184 1
1 837 . 11 1 1 A 68 68 ASN CA C 68 53.983 54.360 -0.377 1
1 838 . 11 1 1 A 68 68 ASN CB C 68 37.351 36.590 0.761 1
1 839 . 11 1 1 A 68 68 ASN C C 68 173.314 174.014 -0.700 1
1 840 . 11 1 1 A 68 68 ASN H H 68 8.920 8.492 0.428 1
1 841 . 11 1 1 A 68 68 ASN HA H 68 4.350 5.517 -1.167 1
1 847 . 11 1 1 A 69 69 GLU N N 69 116.000 117.951 -1.951 1
1 848 . 11 1 1 A 69 69 GLU CA C 69 55.742 55.641 0.101 1
1 849 . 11 1 1 A 69 69 GLU CB C 69 34.663 33.172 1.491 1
1 851 . 11 1 1 A 69 69 GLU C C 69 174.165 175.913 -1.748 1
1 852 . 11 1 1 A 69 69 GLU H H 69 7.931 8.056 -0.125 1
1 853 . 11 1 1 A 69 69 GLU HA H 69 4.638 4.795 -0.157 1
1 858 . 11 1 1 A 70 70 GLN N N 70 121.500 123.940 -2.440 1
1 860 . 11 1 1 A 70 70 GLN CA C 70 53.807 56.252 -2.445 1
1 861 . 11 1 1 A 70 70 GLN CB C 70 31.750 28.880 2.870 1
1 863 . 11 1 1 A 70 70 GLN C C 70 173.068 175.618 -2.550 1
1 864 . 11 1 1 A 70 70 GLN H H 70 8.174 8.571 -0.397 1
1 865 . 11 1 1 A 70 70 GLN HA H 70 4.985 5.610 -0.625 1
1 872 . 11 1 1 A 71 71 PHE N N 71 124.300 123.393 0.907 1
1 873 . 11 1 1 A 71 71 PHE CA C 71 55.249 57.254 -2.005 1
1 874 . 11 1 1 A 71 71 PHE CB C 71 42.133 38.144 3.989 1
1 875 . 11 1 1 A 71 71 PHE C C 71 173.570 175.172 -1.602 1
1 876 . 11 1 1 A 71 71 PHE H H 71 9.040 9.773 -0.733 1
1 877 . 11 1 1 A 71 71 PHE HA H 71 4.528 4.897 -0.369 1
1 880 . 11 1 1 A 72 72 THR N N 72 114.000 119.824 -5.824 1
1 881 . 11 1 1 A 72 72 THR CA C 72 59.491 64.000 -4.509 1
1 882 . 11 1 1 A 72 72 THR CB C 72 70.623 69.067 1.556 1
1 884 . 11 1 1 A 72 72 THR C C 72 172.834 173.789 -0.955 1
1 885 . 11 1 1 A 72 72 THR H H 72 7.763 8.323 -0.560 1
1 886 . 11 1 1 A 72 72 THR HA H 72 5.212 4.340 0.872 1
1 889 . 11 1 1 A 73 73 PHE N N 73 120.900 127.488 -6.588 1
1 890 . 11 1 1 A 73 73 PHE CA C 73 56.071 56.114 -0.043 1
1 891 . 11 1 1 A 73 73 PHE CB C 73 41.570 40.047 1.523 1
1 892 . 11 1 1 A 73 73 PHE C C 73 174.890 174.287 0.603 1
1 893 . 11 1 1 A 73 73 PHE H H 73 8.983 9.182 -0.199 1
1 894 . 11 1 1 A 73 73 PHE HA H 73 4.750 5.141 -0.391 1
1 897 . 11 1 1 A 74 74 LYS N N 74 127.500 127.785 -0.285 1
1 898 . 11 1 1 A 74 74 LYS CA C 74 56.186 55.908 0.278 1
1 899 . 11 1 1 A 74 74 LYS CB C 74 30.577 30.848 -0.271 1
1 903 . 11 1 1 A 74 74 LYS C C 74 174.575 175.270 -0.695 1
1 904 . 11 1 1 A 74 74 LYS H H 74 9.063 9.073 -0.010 1
1 905 . 11 1 1 A 74 74 LYS HA H 74 4.690 4.553 0.137 1
1 914 . 11 1 1 A 75 75 VAL N N 75 126.600 122.610 3.990 1
1 915 . 11 1 1 A 75 75 VAL CA C 75 57.737 58.257 -0.520 1
1 916 . 11 1 1 A 75 75 VAL CB C 75 35.160 35.385 -0.225 1
1 919 . 11 1 1 A 75 75 VAL C C 75 171.500 173.848 -2.348 1
1 920 . 11 1 1 A 75 75 VAL H H 75 7.546 8.128 -0.582 1
1 921 . 11 1 1 A 75 75 VAL HA H 75 4.650 4.687 -0.037 1
1 929 . 11 1 1 A 76 76 PRO CA C 76 62.476 62.859 -0.383 1
1 930 . 11 1 1 A 76 76 PRO CB C 76 32.143 32.742 -0.599 1
1 933 . 11 1 1 A 76 76 PRO C C 76 176.991 177.286 -0.295 1
1 934 . 11 1 1 A 76 76 PRO HA H 76 4.329 5.048 -0.719 1
1 941 . 11 1 1 A 77 77 TYR N N 77 128.500 125.272 3.228 1
1 942 . 11 1 1 A 77 77 TYR CA C 77 61.772 60.480 1.292 1
1 943 . 11 1 1 A 77 77 TYR CB C 77 37.898 37.205 0.693 1
1 944 . 11 1 1 A 77 77 TYR C C 77 177.516 177.568 -0.052 1
1 945 . 11 1 1 A 77 77 TYR H H 77 8.626 9.075 -0.449 1
1 946 . 11 1 1 A 77 77 TYR HA H 77 3.403 4.004 -0.601 1
1 950 . 11 1 1 A 78 78 SER N N 78 110.600 116.893 -6.293 1
1 951 . 11 1 1 A 78 78 SER H H 78 8.509 8.267 0.242 1
1 952 . 11 1 1 A 78 78 SER CA C 78 60.064 62.023 -1.959 1
1 953 . 11 1 1 A 78 78 SER CB C 78 62.022 62.815 -0.793 1
1 954 . 11 1 1 A 78 78 SER C C 78 175.292 175.713 -0.421 1
1 955 . 11 1 1 A 78 78 SER HA H 78 3.940 4.030 -0.090 1
1 958 . 11 1 1 A 79 79 GLU N N 79 119.000 120.817 -1.817 1
1 959 . 11 1 1 A 79 79 GLU CA C 79 55.273 58.639 -3.366 1
1 960 . 11 1 1 A 79 79 GLU CB C 79 30.302 29.450 0.852 1
1 962 . 11 1 1 A 79 79 GLU C C 79 177.218 178.674 -1.456 1
1 963 . 11 1 1 A 79 79 GLU H H 79 7.411 7.607 -0.196 1
1 964 . 11 1 1 A 79 79 GLU HA H 79 4.280 4.124 0.156 1
1 969 . 11 1 1 A 80 80 LEU N N 80 121.600 121.217 0.383 1
1 970 . 11 1 1 A 80 80 LEU CA C 80 57.376 57.926 -0.550 1
1 971 . 11 1 1 A 80 80 LEU CB C 80 41.916 41.691 0.225 1
1 975 . 11 1 1 A 80 80 LEU C C 80 177.098 178.465 -1.367 1
1 976 . 11 1 1 A 80 80 LEU H H 80 7.311 8.224 -0.913 1
1 977 . 11 1 1 A 80 80 LEU HA H 80 3.643 4.025 -0.382 1
1 987 . 11 1 1 A 81 81 GLY N N 81 102.900 106.720 -3.820 1
1 988 . 11 1 1 A 81 81 GLY CA C 81 46.638 47.209 -0.571 1
1 989 . 11 1 1 A 81 81 GLY C C 81 174.240 176.565 -2.325 1
1 990 . 11 1 1 A 81 81 GLY H H 81 7.860 8.333 -0.473 1
1 991 . 11 1 1 A 81 81 GLY HA3 H 81 3.744 3.737 0.007 1
1 992 . 11 1 1 A 81 81 GLY HA2 H 81 3.434 3.721 -0.287 1
1 993 . 11 1 1 A 82 82 GLY N N 82 105.900 108.727 -2.827 1
1 994 . 11 1 1 A 82 82 GLY CA C 82 44.289 46.943 -2.654 1
1 995 . 11 1 1 A 82 82 GLY C C 82 174.591 174.508 0.083 1
1 996 . 11 1 1 A 82 82 GLY H H 82 7.396 7.753 -0.357 1
1 997 . 11 1 1 A 82 82 GLY HA3 H 82 4.267 3.988 0.279 1
1 998 . 11 1 1 A 82 82 GLY HA2 H 82 3.760 3.983 -0.223 1
1 999 . 11 1 1 A 83 83 LYS N N 83 119.000 119.105 -0.105 1
1 1000 . 11 1 1 A 83 83 LYS CA C 83 53.818 55.332 -1.514 1
1 1001 . 11 1 1 A 83 83 LYS CB C 83 33.814 34.281 -0.467 1
1 1005 . 11 1 1 A 83 83 LYS H H 83 7.888 8.249 -0.361 1
1 1006 . 11 1 1 A 83 83 LYS HA H 83 4.366 4.733 -0.367 1
1 1007 . 11 1 1 A 83 83 LYS C C 83 176.518 176.242 0.276 1
1 1015 . 11 1 1 A 84 84 THR N N 84 118.500 115.292 3.208 1
1 1016 . 11 1 1 A 84 84 THR CA C 84 61.914 60.620 1.294 1
1 1017 . 11 1 1 A 84 84 THR CB C 84 71.340 70.587 0.753 1
1 1019 . 11 1 1 A 84 84 THR C C 84 171.750 172.772 -1.022 1
1 1020 . 11 1 1 A 84 84 THR H H 84 8.248 8.957 -0.709 1
1 1021 . 11 1 1 A 84 84 THR HA H 84 4.638 5.290 -0.652 1
1 1024 . 11 1 1 A 85 85 LEU N N 85 130.500 127.411 3.089 1
1 1025 . 11 1 1 A 85 85 LEU CA C 85 53.982 53.501 0.481 1
1 1026 . 11 1 1 A 85 85 LEU CB C 85 43.826 43.779 0.047 1
1 1030 . 11 1 1 A 85 85 LEU C C 85 173.417 175.507 -2.090 1
1 1031 . 11 1 1 A 85 85 LEU H H 85 8.430 8.361 0.069 1
1 1032 . 11 1 1 A 85 85 LEU HA H 85 4.417 4.543 -0.126 1
1 1042 . 11 1 1 A 86 86 VAL N N 86 127.723 120.675 7.048 1
1 1043 . 11 1 1 A 86 86 VAL CA C 86 61.206 59.073 2.133 1
1 1044 . 11 1 1 A 86 86 VAL CB C 86 31.856 34.538 -2.682 1
1 1047 . 11 1 1 A 86 86 VAL C C 86 173.599 174.113 -0.514 1
1 1048 . 11 1 1 A 86 86 VAL H H 86 8.771 8.546 0.225 1
1 1049 . 11 1 1 A 86 86 VAL HA H 86 4.151 4.723 -0.572 1
1 1057 . 11 1 1 A 87 87 MET N N 87 122.600 122.651 -0.051 1
1 1058 . 11 1 1 A 87 87 MET CA C 87 53.654 54.096 -0.442 1
1 1059 . 11 1 1 A 87 87 MET CB C 87 31.288 35.930 -4.642 1
1 1061 . 11 1 1 A 87 87 MET C C 87 172.749 174.931 -2.182 1
1 1062 . 11 1 1 A 87 87 MET H H 87 7.503 8.880 -1.377 1
1 1063 . 11 1 1 A 87 87 MET HA H 87 4.706 5.533 -0.827 1
1 1068 . 11 1 1 A 88 88 ALA N N 88 124.200 125.362 -1.162 1
1 1069 . 11 1 1 A 88 88 ALA CA C 88 50.017 50.966 -0.949 1
1 1070 . 11 1 1 A 88 88 ALA CB C 88 23.107 21.478 1.629 1
1 1071 . 11 1 1 A 88 88 ALA C C 88 174.558 175.629 -1.071 1
1 1072 . 11 1 1 A 88 88 ALA H H 88 8.755 8.911 -0.156 1
1 1073 . 11 1 1 A 88 88 ALA HA H 88 4.948 5.201 -0.253 1
1 1077 . 11 1 1 A 89 89 VAL N N 89 122.900 123.610 -0.710 1
1 1078 . 11 1 1 A 89 89 VAL CA C 89 60.881 62.410 -1.529 1
1 1079 . 11 1 1 A 89 89 VAL CB C 89 31.541 31.694 -0.153 1
1 1082 . 11 1 1 A 89 89 VAL C C 89 173.707 174.520 -0.813 1
1 1083 . 11 1 1 A 89 89 VAL H H 89 8.813 9.121 -0.308 1
1 1084 . 11 1 1 A 89 89 VAL HA H 89 4.652 4.809 -0.157 1
1 1092 . 11 1 1 A 90 90 TYR N N 90 128.400 128.486 -0.086 1
1 1093 . 11 1 1 A 90 90 TYR CA C 90 56.230 55.894 0.336 1
1 1094 . 11 1 1 A 90 90 TYR CB C 90 43.211 40.805 2.406 1
1 1095 . 11 1 1 A 90 90 TYR C C 90 173.024 173.464 -0.440 1
1 1096 . 11 1 1 A 90 90 TYR H H 90 9.067 9.637 -0.570 1
1 1097 . 11 1 1 A 90 90 TYR HA H 90 4.766 5.102 -0.336 1
1 1101 . 11 1 1 A 91 91 ASP N N 91 116.300 129.046 -12.746 1
1 1102 . 11 1 1 A 91 91 ASP CA C 91 51.800 52.781 -0.981 1
1 1103 . 11 1 1 A 91 91 ASP CB C 91 42.265 41.883 0.382 1
1 1104 . 11 1 1 A 91 91 ASP C C 91 175.823 174.838 0.985 1
1 1105 . 11 1 1 A 91 91 ASP H H 91 8.700 8.515 0.185 1
1 1106 . 11 1 1 A 91 91 ASP HA H 91 5.098 5.190 -0.092 1
1 1109 . 11 1 1 A 92 92 PHE N N 92 128.100 128.328 -0.228 1
1 1110 . 11 1 1 A 92 92 PHE CA C 92 58.830 56.530 2.300 1
1 1111 . 11 1 1 A 92 92 PHE CB C 92 31.850 38.980 -7.130 1
1 1112 . 11 1 1 A 92 92 PHE C C 92 173.437 175.231 -1.794 1
1 1113 . 11 1 1 A 92 92 PHE H H 92 9.540 8.937 0.603 1
1 1114 . 11 1 1 A 92 92 PHE HA H 92 4.480 5.139 -0.659 1
1 1117 . 11 1 1 A 93 93 ASP N N 93 122.100 123.817 -1.717 1
1 1118 . 11 1 1 A 93 93 ASP CA C 93 53.701 52.825 0.876 1
1 1119 . 11 1 1 A 93 93 ASP CB C 93 41.736 40.733 1.003 1
1 1120 . 11 1 1 A 93 93 ASP C C 93 175.548 177.057 -1.509 1
1 1121 . 11 1 1 A 93 93 ASP H H 93 7.812 8.260 -0.448 1
1 1122 . 11 1 1 A 93 93 ASP HA H 93 4.480 4.909 -0.429 1
1 1125 . 11 1 1 A 94 94 ARG N N 94 121.500 113.970 7.530 1
1 1126 . 11 1 1 A 94 94 ARG CA C 94 56.142 57.819 -1.677 1
1 1127 . 11 1 1 A 94 94 ARG CB C 94 30.173 27.863 2.310 1
1 1129 . 11 1 1 A 94 94 ARG C C 94 175.795 175.046 0.749 1
1 1130 . 11 1 1 A 94 94 ARG H H 94 8.264 7.743 0.521 1
1 1131 . 11 1 1 A 94 94 ARG HA H 94 4.000 3.654 0.346 1
1 1138 . 11 1 1 A 95 95 PHE N N 95 118.600 118.800 -0.200 1
1 1139 . 11 1 1 A 95 95 PHE CA C 95 59.850 58.936 0.914 1
1 1140 . 11 1 1 A 95 95 PHE CB C 95 38.955 41.821 -2.866 1
1 1141 . 11 1 1 A 95 95 PHE C C 95 172.969 175.100 -2.131 1
1 1142 . 11 1 1 A 95 95 PHE H H 95 6.889 8.291 -1.402 1
1 1143 . 11 1 1 A 95 95 PHE HA H 95 4.373 4.781 -0.408 1
1 1146 . 11 1 1 A 96 96 SER N N 96 114.200 113.207 0.993 1
1 1147 . 11 1 1 A 96 96 SER H H 96 8.027 7.453 0.574 1
1 1148 . 11 1 1 A 96 96 SER CA C 96 57.596 57.791 -0.195 1
1 1149 . 11 1 1 A 96 96 SER CB C 96 63.494 64.064 -0.570 1
1 1150 . 11 1 1 A 96 96 SER C C 96 174.149 173.923 0.226 1
1 1151 . 11 1 1 A 96 96 SER HA H 96 4.220 4.491 -0.271 1
1 1154 . 11 1 1 A 97 97 LYS N N 97 121.600 120.900 0.700 1
1 1155 . 11 1 1 A 97 97 LYS CA C 97 58.206 57.194 1.012 1
1 1156 . 11 1 1 A 97 97 LYS CB C 97 31.860 32.621 -0.761 1
1 1159 . 11 1 1 A 97 97 LYS H H 97 8.264 8.570 -0.306 1
1 1160 . 11 1 1 A 97 97 LYS HA H 97 4.202 4.262 -0.060 1
1 1161 . 11 1 1 A 97 97 LYS C C 97 175.599 176.590 -0.991 1
1 1170 . 11 1 1 A 98 98 HIS N N 98 119.000 122.296 -3.296 1
1 1171 . 11 1 1 A 98 98 HIS CA C 98 54.159 57.233 -3.074 1
1 1172 . 11 1 1 A 98 98 HIS CB C 98 30.040 30.618 -0.578 1
1 1173 . 11 1 1 A 98 98 HIS C C 98 174.050 174.214 -0.164 1
1 1174 . 11 1 1 A 98 98 HIS H H 98 8.350 8.213 0.137 1
1 1175 . 11 1 1 A 98 98 HIS HA H 98 4.784 4.439 0.345 1
1 1178 . 11 1 1 A 99 99 ASP N N 99 122.600 124.074 -1.474 1
1 1179 . 11 1 1 A 99 99 ASP CA C 99 53.806 53.642 0.164 1
1 1180 . 11 1 1 A 99 99 ASP CB C 99 41.074 40.688 0.386 1
1 1181 . 11 1 1 A 99 99 ASP C C 99 174.346 175.464 -1.118 1
1 1182 . 11 1 1 A 99 99 ASP H H 99 8.812 8.253 0.559 1
1 1183 . 11 1 1 A 99 99 ASP HA H 99 4.781 3.958 0.823 1
1 1186 . 11 1 1 A 100 100 ILE N N 100 122.400 115.902 6.498 1
1 1187 . 11 1 1 A 100 100 ILE CA C 100 60.989 61.279 -0.290 1
1 1188 . 11 1 1 A 100 100 ILE CB C 100 38.823 38.428 0.395 1
1 1192 . 11 1 1 A 100 100 ILE C C 100 174.431 176.915 -2.484 1
1 1193 . 11 1 1 A 100 100 ILE H H 100 8.075 7.949 0.126 1
1 1194 . 11 1 1 A 100 100 ILE HA H 100 3.405 3.842 -0.437 1
1 1204 . 11 1 1 A 101 101 ILE N N 101 127.400 121.321 6.079 1
1 1205 . 11 1 1 A 101 101 ILE CA C 101 63.380 63.593 -0.213 1
1 1206 . 11 1 1 A 101 101 ILE CB C 101 38.058 38.148 -0.090 1
1 1210 . 11 1 1 A 101 101 ILE C C 101 175.859 176.231 -0.372 1
1 1211 . 11 1 1 A 101 101 ILE H H 101 9.219 8.619 0.600 1
1 1212 . 11 1 1 A 101 101 ILE HA H 101 3.869 3.998 -0.129 1
1 1219 . 11 1 1 A 102 102 GLY N N 102 101.500 109.547 -8.047 1
1 1220 . 11 1 1 A 102 102 GLY CA C 102 45.259 45.791 -0.532 1
1 1221 . 11 1 1 A 102 102 GLY C C 102 169.614 171.571 -1.957 1
1 1222 . 11 1 1 A 102 102 GLY H H 102 7.241 7.082 0.159 1
1 1223 . 11 1 1 A 102 102 GLY HA3 H 102 4.024 4.055 -0.031 1
1 1224 . 11 1 1 A 102 102 GLY HA2 H 102 3.811 4.047 -0.236 1
1 1225 . 11 1 1 A 103 103 GLU N N 103 117.100 119.035 -1.935 1
1 1226 . 11 1 1 A 103 103 GLU CA C 103 54.229 56.005 -1.776 1
1 1227 . 11 1 1 A 103 103 GLU CB C 103 34.012 33.642 0.370 1
1 1229 . 11 1 1 A 103 103 GLU C C 103 173.993 174.148 -0.155 1
1 1230 . 11 1 1 A 103 103 GLU H H 103 9.499 9.017 0.482 1
1 1231 . 11 1 1 A 103 103 GLU HA H 103 5.513 5.148 0.365 1
1 1236 . 11 1 1 A 104 104 PHE N N 104 115.900 125.416 -9.516 1
1 1237 . 11 1 1 A 104 104 PHE CA C 104 58.037 57.217 0.820 1
1 1238 . 11 1 1 A 104 104 PHE CB C 104 41.030 42.855 -1.825 1
1 1239 . 11 1 1 A 104 104 PHE C C 104 171.749 173.364 -1.615 1
1 1240 . 11 1 1 A 104 104 PHE H H 104 8.525 9.267 -0.742 1
1 1241 . 11 1 1 A 104 104 PHE HA H 104 4.731 5.154 -0.423 1
1 1244 . 11 1 1 A 105 105 LYS N N 105 118.900 126.033 -7.133 1
1 1245 . 11 1 1 A 105 105 LYS CA C 105 53.771 54.573 -0.802 1
1 1246 . 11 1 1 A 105 105 LYS CB C 105 34.953 34.916 0.037 1
1 1250 . 11 1 1 A 105 105 LYS H H 105 7.805 7.782 0.023 1
1 1251 . 11 1 1 A 105 105 LYS HA H 105 5.188 4.969 0.219 1
1 1252 . 11 1 1 A 105 105 LYS C C 105 175.389 175.714 -0.325 1
1 1261 . 11 1 1 A 106 106 VAL N N 106 121.400 123.237 -1.837 1
1 1262 . 11 1 1 A 106 106 VAL CA C 106 58.522 59.115 -0.593 1
1 1263 . 11 1 1 A 106 106 VAL CB C 106 34.050 34.266 -0.216 1
1 1266 . 11 1 1 A 106 106 VAL C C 106 173.300 173.657 -0.357 1
1 1267 . 11 1 1 A 106 106 VAL H H 106 9.276 9.232 0.044 1
1 1268 . 11 1 1 A 106 106 VAL HA H 106 4.430 4.607 -0.177 1
1 1276 . 11 1 1 A 107 107 PRO CA C 107 62.265 62.916 -0.651 1
1 1277 . 11 1 1 A 107 107 PRO CB C 107 31.157 32.659 -1.502 1
1 1280 . 11 1 1 A 107 107 PRO C C 107 178.967 177.740 1.227 1
1 1281 . 11 1 1 A 107 107 PRO HA H 107 4.703 4.680 0.023 1
1 1288 . 11 1 1 A 108 108 MET N N 108 126.300 123.764 2.536 1
1 1289 . 11 1 1 A 108 108 MET CA C 108 56.728 58.286 -1.558 1
1 1290 . 11 1 1 A 108 108 MET CB C 108 32.909 32.201 0.708 1
1 1292 . 11 1 1 A 108 108 MET C C 108 176.858 178.249 -1.391 1
1 1293 . 11 1 1 A 108 108 MET H H 108 8.716 8.886 -0.170 1
1 1294 . 11 1 1 A 108 108 MET HA H 108 4.483 4.529 -0.046 1
1 1299 . 11 1 1 A 109 109 ASN N N 109 115.600 119.412 -3.812 1
1 1300 . 11 1 1 A 109 109 ASN CA C 109 53.983 55.611 -1.628 1
1 1301 . 11 1 1 A 109 109 ASN CB C 109 36.227 38.602 -2.375 1
1 1302 . 11 1 1 A 109 109 ASN C C 109 175.789 176.669 -0.880 1
1 1303 . 11 1 1 A 109 109 ASN H H 109 8.342 8.290 0.052 1
1 1304 . 11 1 1 A 109 109 ASN HA H 109 4.564 4.644 -0.080 1
1 1310 . 11 1 1 A 110 110 THR N N 110 107.600 111.001 -3.401 1
1 1311 . 11 1 1 A 110 110 THR CA C 110 61.115 64.284 -3.169 1
1 1312 . 11 1 1 A 110 110 THR CB C 110 62.929 70.001 -7.072 1
1 1314 . 11 1 1 A 110 110 THR C C 110 173.508 174.136 -0.628 1
1 1315 . 11 1 1 A 110 110 THR H H 110 7.522 7.540 -0.018 1
1 1316 . 11 1 1 A 110 110 THR HA H 110 4.461 4.298 0.163 1
1 1319 . 11 1 1 A 111 111 VAL N N 111 123.700 119.811 3.889 1
1 1320 . 11 1 1 A 111 111 VAL CA C 111 61.782 61.504 0.278 1
1 1321 . 11 1 1 A 111 111 VAL CB C 111 32.821 32.128 0.693 1
1 1324 . 11 1 1 A 111 111 VAL C C 111 173.903 174.316 -0.413 1
1 1325 . 11 1 1 A 111 111 VAL H H 111 6.960 7.165 -0.205 1
1 1326 . 11 1 1 A 111 111 VAL HA H 111 3.703 4.081 -0.378 1
1 1334 . 11 1 1 A 112 112 ASP N N 112 125.800 128.586 -2.786 1
1 1335 . 11 1 1 A 112 112 ASP CA C 112 51.777 52.985 -1.208 1
1 1336 . 11 1 1 A 112 112 ASP CB C 112 40.648 41.336 -0.688 1
1 1337 . 11 1 1 A 112 112 ASP C C 112 175.407 175.051 0.356 1
1 1338 . 11 1 1 A 112 112 ASP H H 112 8.341 8.842 -0.501 1
1 1339 . 11 1 1 A 112 112 ASP HA H 112 4.719 4.986 -0.267 1
1 1342 . 11 1 1 A 113 113 PHE N N 113 122.700 123.087 -0.387 1
1 1343 . 11 1 1 A 113 113 PHE CA C 113 59.887 56.202 3.685 1
1 1344 . 11 1 1 A 113 113 PHE CB C 113 37.999 36.555 1.444 1
1 1345 . 11 1 1 A 113 113 PHE C C 113 175.854 176.654 -0.800 1
1 1346 . 11 1 1 A 113 113 PHE H H 113 8.391 8.877 -0.486 1
1 1347 . 11 1 1 A 113 113 PHE HA H 113 4.670 4.755 -0.085 1
1 1350 . 11 1 1 A 114 114 GLY N N 114 108.608 110.172 -1.564 1
1 1351 . 11 1 1 A 114 114 GLY CA C 114 45.657 47.324 -1.667 1
1 1352 . 11 1 1 A 114 114 GLY C C 114 172.963 175.629 -2.666 1
1 1353 . 11 1 1 A 114 114 GLY H H 114 8.953 8.465 0.488 1
1 1354 . 11 1 1 A 114 114 GLY HA3 H 114 4.018 3.789 0.229 1
1 1355 . 11 1 1 A 114 114 GLY HA2 H 114 3.912 3.773 0.139 1
1 1356 . 11 1 1 A 115 115 HIS N N 115 114.926 121.090 -6.164 1
1 1357 . 11 1 1 A 115 115 HIS CA C 115 53.533 56.649 -3.116 1
1 1358 . 11 1 1 A 115 115 HIS CB C 115 30.349 30.101 0.248 1
1 1359 . 11 1 1 A 115 115 HIS C C 115 172.453 173.727 -1.274 1
1 1360 . 11 1 1 A 115 115 HIS H H 115 7.510 8.157 -0.647 1
1 1361 . 11 1 1 A 115 115 HIS HA H 115 4.868 4.840 0.028 1
1 1364 . 11 1 1 A 116 116 VAL N N 116 122.100 119.448 2.652 1
1 1365 . 11 1 1 A 116 116 VAL CA C 116 62.992 61.281 1.711 1
1 1366 . 11 1 1 A 116 116 VAL CB C 116 31.850 34.493 -2.643 1
1 1369 . 11 1 1 A 116 116 VAL C C 116 176.352 175.052 1.300 1
1 1370 . 11 1 1 A 116 116 VAL H H 116 8.460 8.187 0.273 1
1 1371 . 11 1 1 A 116 116 VAL HA H 116 4.268 5.372 -1.104 1
1 1379 . 11 1 1 A 117 117 THR N N 117 124.700 123.919 0.781 1
1 1380 . 11 1 1 A 117 117 THR CA C 117 61.694 62.121 -0.427 1
1 1381 . 11 1 1 A 117 117 THR CB C 117 70.001 69.671 0.330 1
1 1383 . 11 1 1 A 117 117 THR C C 117 172.762 173.921 -1.159 1
1 1384 . 11 1 1 A 117 117 THR H H 117 8.550 9.588 -1.038 1
1 1385 . 11 1 1 A 117 117 THR HA H 117 4.460 4.681 -0.221 1
1 1388 . 11 1 1 A 118 118 GLU N N 118 126.000 125.378 0.622 1
1 1389 . 11 1 1 A 118 118 GLU CA C 118 55.038 55.179 -0.141 1
1 1390 . 11 1 1 A 118 118 GLU CB C 118 30.835 31.125 -0.290 1
1 1392 . 11 1 1 A 118 118 GLU C C 118 174.419 175.099 -0.680 1
1 1393 . 11 1 1 A 118 118 GLU H H 118 8.382 8.931 -0.549 1
1 1394 . 11 1 1 A 118 118 GLU HA H 118 4.776 5.032 -0.256 1
1 1399 . 11 1 1 A 119 119 GLU N N 119 123.000 120.835 2.165 1
1 1400 . 11 1 1 A 119 119 GLU CA C 119 54.292 54.706 -0.414 1
1 1401 . 11 1 1 A 119 119 GLU CB C 119 32.909 33.514 -0.605 1
1 1403 . 11 1 1 A 119 119 GLU C C 119 173.072 174.190 -1.118 1
1 1404 . 11 1 1 A 119 119 GLU H H 119 8.057 8.776 -0.719 1
1 1405 . 11 1 1 A 119 119 GLU HA H 119 4.631 4.269 0.362 1
1 1410 . 11 1 1 A 120 120 TRP N N 120 118.300 122.027 -3.727 1
1 1411 . 11 1 1 A 120 120 TRP C C 120 177.336 174.990 2.346 1
1 1412 . 11 1 1 A 120 120 TRP CA C 120 55.672 56.369 -0.697 1
1 1413 . 11 1 1 A 120 120 TRP CB C 120 31.259 29.616 1.643 1
1 1414 . 11 1 1 A 120 120 TRP H H 120 8.212 8.125 0.087 1
1 1415 . 11 1 1 A 120 120 TRP HA H 120 5.322 4.987 0.335 1
1 1424 . 11 1 1 A 121 121 ARG N N 121 120.900 126.174 -5.274 1
1 1425 . 11 1 1 A 121 121 ARG CA C 121 53.631 53.540 0.091 1
1 1426 . 11 1 1 A 121 121 ARG CB C 121 32.865 33.008 -0.143 1
1 1429 . 11 1 1 A 121 121 ARG C C 121 174.321 174.982 -0.661 1
1 1430 . 11 1 1 A 121 121 ARG H H 121 9.012 8.659 0.353 1
1 1431 . 11 1 1 A 121 121 ARG HA H 121 4.488 4.587 -0.099 1
1 1438 . 11 1 1 A 122 122 ASP N N 122 121.600 124.011 -2.411 1
1 1439 . 11 1 1 A 122 122 ASP CA C 122 53.795 53.009 0.786 1
1 1440 . 11 1 1 A 122 122 ASP CB C 122 40.544 41.988 -1.444 1
1 1441 . 11 1 1 A 122 122 ASP C C 122 176.041 175.029 1.012 1
1 1442 . 11 1 1 A 122 122 ASP H H 122 8.226 8.272 -0.046 1
1 1443 . 11 1 1 A 122 122 ASP HA H 122 4.791 5.172 -0.381 1
1 1446 . 11 1 1 A 123 123 LEU N N 123 120.700 125.212 -4.512 1
1 1447 . 11 1 1 A 123 123 LEU CA C 123 54.997 54.383 0.614 1
1 1448 . 11 1 1 A 123 123 LEU CB C 123 41.765 42.062 -0.297 1
1 1452 . 11 1 1 A 123 123 LEU C C 123 175.964 176.505 -0.541 1
1 1453 . 11 1 1 A 123 123 LEU H H 123 8.436 8.534 -0.098 1
1 1454 . 11 1 1 A 123 123 LEU HA H 123 4.125 4.872 -0.747 1
1 1464 . 11 1 1 A 124 124 GLN N N 124 119.200 125.432 -6.232 1
1 1466 . 11 1 1 A 124 124 GLN CA C 124 53.278 55.962 -2.684 1
1 1467 . 11 1 1 A 124 124 GLN CB C 124 31.232 29.385 1.847 1
1 1469 . 11 1 1 A 124 124 GLN C C 124 175.183 175.783 -0.600 1
1 1470 . 11 1 1 A 124 124 GLN H H 124 9.020 8.962 0.058 1
1 1471 . 11 1 1 A 124 124 GLN HA H 124 4.738 4.453 0.285 1
1 1478 . 11 1 1 A 125 125 SER N N 125 115.300 119.305 -4.005 1
1 1479 . 11 1 1 A 125 125 SER H H 125 8.543 8.626 -0.083 1
1 1480 . 11 1 1 A 125 125 SER CA C 125 58.477 60.151 -1.674 1
1 1481 . 11 1 1 A 125 125 SER CB C 125 63.274 63.337 -0.063 1
1 1482 . 11 1 1 A 125 125 SER C C 125 174.609 174.495 0.114 1
1 1483 . 11 1 1 A 125 125 SER HA H 125 4.235 4.985 -0.750 1
1 1486 . 11 1 1 A 126 126 ALA N N 126 126.900 129.279 -2.379 1
1 1487 . 11 1 1 A 126 126 ALA CA C 126 51.636 50.351 1.285 1
1 1488 . 11 1 1 A 126 126 ALA CB C 126 19.845 20.956 -1.111 1
1 1489 . 11 1 1 A 126 126 ALA C C 126 176.876 176.698 0.178 1
1 1490 . 11 1 1 A 126 126 ALA H H 126 8.640 8.903 -0.263 1
1 1491 . 11 1 1 A 126 126 ALA HA H 126 4.216 5.187 -0.971 1
1 1495 . 11 1 1 A 127 127 GLU N N 127 120.600 122.847 -2.247 1
1 1496 . 11 1 1 A 127 127 GLU CA C 127 56.142 54.982 1.160 1
1 1497 . 11 1 1 A 127 127 GLU CB C 127 29.996 30.357 -0.361 1
1 1499 . 11 1 1 A 127 127 GLU C C 127 175.129 175.256 -0.127 1
1 1500 . 11 1 1 A 127 127 GLU H H 127 8.204 8.962 -0.758 1
1 1501 . 11 1 1 A 127 127 GLU HA H 127 4.176 4.800 -0.624 1
1 12 . 12 1 1 A 2 2 LYS N N 2 123.200 121.205 1.995 1
1 13 . 12 1 1 A 2 2 LYS CA C 2 55.550 54.760 0.790 1
1 14 . 12 1 1 A 2 2 LYS CB C 2 31.730 32.655 -0.925 1
1 18 . 12 1 1 A 2 2 LYS H H 2 8.320 8.625 -0.305 1
1 19 . 12 1 1 A 2 2 LYS C C 2 176.041 176.411 -0.370 1
1 20 . 12 1 1 A 2 2 LYS HA H 2 4.413 4.681 -0.268 1
1 29 . 12 1 1 A 3 3 LEU N N 3 124.700 125.296 -0.596 1
1 30 . 12 1 1 A 3 3 LEU CA C 3 53.800 56.383 -2.583 1
1 31 . 12 1 1 A 3 3 LEU CB C 3 43.351 43.194 0.157 1
1 35 . 12 1 1 A 3 3 LEU C C 3 173.289 177.499 -4.210 1
1 36 . 12 1 1 A 3 3 LEU H H 3 8.319 8.826 -0.507 1
1 37 . 12 1 1 A 3 3 LEU HA H 3 4.363 6.076 -1.713 1
1 47 . 12 1 1 A 4 4 GLY N N 4 102.100 106.891 -4.791 1
1 48 . 12 1 1 A 4 4 GLY CA C 4 44.232 45.130 -0.898 1
1 49 . 12 1 1 A 4 4 GLY C C 4 174.476 172.950 1.526 1
1 50 . 12 1 1 A 4 4 GLY H H 4 7.412 7.884 -0.472 1
1 51 . 12 1 1 A 4 4 GLY HA3 H 4 4.367 4.007 0.360 1
1 52 . 12 1 1 A 4 4 GLY HA2 H 4 3.662 3.996 -0.334 1
1 53 . 12 1 1 A 5 5 LYS N N 5 114.993 120.198 -5.205 1
1 54 . 12 1 1 A 5 5 LYS CA C 5 54.807 54.494 0.313 1
1 55 . 12 1 1 A 5 5 LYS CB C 5 36.664 36.551 0.113 1
1 59 . 12 1 1 A 5 5 LYS C C 5 173.762 174.850 -1.088 1
1 60 . 12 1 1 A 5 5 LYS H H 5 8.748 8.448 0.300 1
1 61 . 12 1 1 A 5 5 LYS HA H 5 5.333 5.100 0.233 1
1 70 . 12 1 1 A 6 6 LEU N N 6 122.195 122.077 0.118 1
1 71 . 12 1 1 A 6 6 LEU CA C 6 53.760 53.582 0.178 1
1 72 . 12 1 1 A 6 6 LEU CB C 6 47.948 44.325 3.623 1
1 76 . 12 1 1 A 6 6 LEU C C 6 172.524 175.044 -2.520 1
1 77 . 12 1 1 A 6 6 LEU H H 6 9.058 9.776 -0.718 1
1 78 . 12 1 1 A 6 6 LEU HA H 6 5.312 6.335 -1.023 1
1 88 . 12 1 1 A 7 7 GLN N N 7 127.800 127.084 0.716 1
1 90 . 12 1 1 A 7 7 GLN CA C 7 52.595 55.148 -2.553 1
1 91 . 12 1 1 A 7 7 GLN CB C 7 28.032 29.700 -1.668 1
1 93 . 12 1 1 A 7 7 GLN C C 7 173.707 175.294 -1.587 1
1 94 . 12 1 1 A 7 7 GLN H H 7 8.945 8.573 0.372 1
1 95 . 12 1 1 A 7 7 GLN HA H 7 5.170 5.179 -0.009 1
1 102 . 12 1 1 A 8 8 TYR N N 8 125.700 122.552 3.148 1
1 103 . 12 1 1 A 8 8 TYR CA C 8 54.578 57.343 -2.765 1
1 104 . 12 1 1 A 8 8 TYR CB C 8 42.236 42.312 -0.076 1
1 105 . 12 1 1 A 8 8 TYR C C 8 171.582 174.721 -3.139 1
1 106 . 12 1 1 A 8 8 TYR H H 8 8.445 8.599 -0.154 1
1 107 . 12 1 1 A 8 8 TYR HA H 8 5.401 5.313 0.088 1
1 110 . 12 1 1 A 9 9 SER N N 9 113.300 114.848 -1.548 1
1 111 . 12 1 1 A 9 9 SER H H 9 9.486 9.509 -0.023 1
1 112 . 12 1 1 A 9 9 SER CA C 9 55.195 56.953 -1.758 1
1 113 . 12 1 1 A 9 9 SER CB C 9 67.116 65.745 1.371 1
1 114 . 12 1 1 A 9 9 SER C C 9 173.486 173.875 -0.389 1
1 115 . 12 1 1 A 9 9 SER HA H 9 5.400 6.027 -0.627 1
1 118 . 12 1 1 A 10 10 LEU N N 10 120.700 123.506 -2.806 1
1 119 . 12 1 1 A 10 10 LEU CA C 10 53.388 53.179 0.209 1
1 120 . 12 1 1 A 10 10 LEU CB C 10 46.946 45.681 1.265 1
1 121 . 12 1 1 A 10 10 LEU C C 10 174.640 175.124 -0.484 1
1 125 . 12 1 1 A 10 10 LEU H H 10 8.698 9.613 -0.915 1
1 126 . 12 1 1 A 10 10 LEU HA H 10 5.471 5.564 -0.093 1
1 136 . 12 1 1 A 11 11 ASP N N 11 119.760 122.778 -3.018 1
1 137 . 12 1 1 A 11 11 ASP CA C 11 52.525 52.663 -0.138 1
1 138 . 12 1 1 A 11 11 ASP CB C 11 44.683 45.266 -0.583 1
1 139 . 12 1 1 A 11 11 ASP C C 11 173.093 174.237 -1.144 1
1 140 . 12 1 1 A 11 11 ASP H H 11 8.673 9.164 -0.491 1
1 141 . 12 1 1 A 11 11 ASP HA H 11 5.126 5.758 -0.632 1
1 144 . 12 1 1 A 12 12 TYR N N 12 124.200 117.433 6.767 1
1 145 . 12 1 1 A 12 12 TYR CA C 12 57.883 55.577 2.306 1
1 146 . 12 1 1 A 12 12 TYR CB C 12 40.054 41.256 -1.202 1
1 147 . 12 1 1 A 12 12 TYR C C 12 171.962 173.081 -1.119 1
1 148 . 12 1 1 A 12 12 TYR H H 12 8.898 9.223 -0.325 1
1 149 . 12 1 1 A 12 12 TYR HA H 12 4.609 5.802 -1.193 1
1 154 . 12 1 1 A 13 13 ASP N N 13 126.400 125.519 0.881 1
1 155 . 12 1 1 A 13 13 ASP CA C 13 51.141 53.048 -1.907 1
1 156 . 12 1 1 A 13 13 ASP CB C 13 40.891 40.878 0.013 1
1 157 . 12 1 1 A 13 13 ASP C C 13 175.599 176.655 -1.056 1
1 158 . 12 1 1 A 13 13 ASP H H 13 8.018 8.493 -0.475 1
1 159 . 12 1 1 A 13 13 ASP HA H 13 4.591 4.552 0.039 1
1 162 . 12 1 1 A 14 14 PHE N N 14 123.575 123.934 -0.359 1
1 163 . 12 1 1 A 14 14 PHE CA C 14 60.734 59.259 1.475 1
1 164 . 12 1 1 A 14 14 PHE CB C 14 38.821 38.442 0.379 1
1 165 . 12 1 1 A 14 14 PHE C C 14 176.704 175.863 0.841 1
1 166 . 12 1 1 A 14 14 PHE H H 14 8.540 7.776 0.764 1
1 167 . 12 1 1 A 14 14 PHE HA H 14 4.187 4.510 -0.323 1
1 170 . 12 1 1 A 15 15 GLN N N 15 118.500 117.122 1.378 1
1 172 . 12 1 1 A 15 15 GLN CA C 15 57.927 55.869 2.058 1
1 173 . 12 1 1 A 15 15 GLN CB C 15 28.129 27.667 0.462 1
1 175 . 12 1 1 A 15 15 GLN C C 15 176.646 176.652 -0.006 1
1 176 . 12 1 1 A 15 15 GLN H H 15 8.307 7.572 0.735 1
1 177 . 12 1 1 A 15 15 GLN HA H 15 4.150 4.179 -0.029 1
1 184 . 12 1 1 A 16 16 ASN N N 16 113.392 116.663 -3.271 1
1 185 . 12 1 1 A 16 16 ASN CA C 16 52.051 51.899 0.152 1
1 186 . 12 1 1 A 16 16 ASN CB C 16 39.238 37.873 1.365 1
1 187 . 12 1 1 A 16 16 ASN C C 16 173.191 175.575 -2.384 1
1 188 . 12 1 1 A 16 16 ASN H H 16 7.347 7.661 -0.314 1
1 189 . 12 1 1 A 16 16 ASN HA H 16 4.682 4.675 0.007 1
1 195 . 12 1 1 A 17 17 ASN N N 17 118.200 116.678 1.522 1
1 196 . 12 1 1 A 17 17 ASN CA C 17 54.524 54.119 0.405 1
1 197 . 12 1 1 A 17 17 ASN CB C 17 36.825 37.219 -0.394 1
1 198 . 12 1 1 A 17 17 ASN C C 17 175.797 174.131 1.666 1
1 199 . 12 1 1 A 17 17 ASN H H 17 7.682 7.748 -0.066 1
1 200 . 12 1 1 A 17 17 ASN HA H 17 4.300 4.431 -0.131 1
1 206 . 12 1 1 A 18 18 GLN N N 18 110.518 118.187 -7.669 1
1 208 . 12 1 1 A 18 18 GLN CA C 18 52.888 54.806 -1.918 1
1 209 . 12 1 1 A 18 18 GLN CB C 18 31.353 32.818 -1.465 1
1 211 . 12 1 1 A 18 18 GLN C C 18 171.717 173.963 -2.246 1
1 212 . 12 1 1 A 18 18 GLN H H 18 6.757 7.628 -0.871 1
1 213 . 12 1 1 A 18 18 GLN HA H 18 4.911 4.827 0.084 1
1 220 . 12 1 1 A 19 19 LEU N N 19 124.400 126.391 -1.991 1
1 221 . 12 1 1 A 19 19 LEU CA C 19 53.873 54.537 -0.664 1
1 222 . 12 1 1 A 19 19 LEU CB C 19 44.558 43.062 1.496 1
1 226 . 12 1 1 A 19 19 LEU C C 19 173.731 176.330 -2.599 1
1 227 . 12 1 1 A 19 19 LEU H H 19 9.048 8.152 0.896 1
1 228 . 12 1 1 A 19 19 LEU HA H 19 4.543 5.086 -0.543 1
1 238 . 12 1 1 A 20 20 LEU N N 20 128.415 124.944 3.471 1
1 239 . 12 1 1 A 20 20 LEU CA C 20 53.695 54.749 -1.054 1
1 240 . 12 1 1 A 20 20 LEU CB C 20 41.956 45.363 -3.407 1
1 244 . 12 1 1 A 20 20 LEU C C 20 175.696 174.787 0.909 1
1 245 . 12 1 1 A 20 20 LEU H H 20 9.021 10.047 -1.026 1
1 246 . 12 1 1 A 20 20 LEU HA H 20 4.852 4.867 -0.015 1
1 256 . 12 1 1 A 21 21 VAL N N 21 125.838 127.470 -1.632 1
1 257 . 12 1 1 A 21 21 VAL CA C 21 60.511 61.752 -1.241 1
1 258 . 12 1 1 A 21 21 VAL CB C 21 45.331 34.048 11.283 1
1 260 . 12 1 1 A 21 21 VAL C C 21 173.979 174.957 -0.978 1
1 261 . 12 1 1 A 21 21 VAL H H 21 9.073 8.895 0.178 1
1 262 . 12 1 1 A 21 21 VAL HA H 21 4.853 4.603 0.250 1
1 270 . 12 1 1 A 22 22 GLY N N 22 117.254 113.680 3.574 1
1 271 . 12 1 1 A 22 22 GLY CA C 22 43.843 44.805 -0.962 1
1 272 . 12 1 1 A 22 22 GLY C C 22 172.485 173.554 -1.069 1
1 273 . 12 1 1 A 22 22 GLY H H 22 9.486 8.924 0.562 1
1 274 . 12 1 1 A 22 22 GLY HA3 H 22 4.653 3.547 1.106 1
1 275 . 12 1 1 A 22 22 GLY HA2 H 22 3.520 3.480 0.040 1
1 276 . 12 1 1 A 23 23 ILE N N 23 125.106 125.839 -0.733 1
1 277 . 12 1 1 A 23 23 ILE CA C 23 58.182 60.836 -2.654 1
1 278 . 12 1 1 A 23 23 ILE CB C 23 35.290 38.231 -2.941 1
1 282 . 12 1 1 A 23 23 ILE C C 23 174.346 176.507 -2.161 1
1 283 . 12 1 1 A 23 23 ILE H H 23 8.831 8.608 0.223 1
1 284 . 12 1 1 A 23 23 ILE HA H 23 4.330 4.307 0.023 1
1 294 . 12 1 1 A 24 24 ILE N N 24 126.735 123.747 2.988 1
1 295 . 12 1 1 A 24 24 ILE CA C 24 65.005 63.470 1.535 1
1 296 . 12 1 1 A 24 24 ILE CB C 24 37.790 38.324 -0.534 1
1 300 . 12 1 1 A 24 24 ILE C C 24 177.149 176.106 1.043 1
1 301 . 12 1 1 A 24 24 ILE H H 24 8.365 8.060 0.305 1
1 302 . 12 1 1 A 24 24 ILE HA H 24 3.903 4.176 -0.273 1
1 312 . 12 1 1 A 25 25 GLN N N 25 110.662 116.677 -6.015 1
1 314 . 12 1 1 A 25 25 GLN CA C 25 54.295 55.302 -1.007 1
1 315 . 12 1 1 A 25 25 GLN CB C 25 30.953 32.380 -1.427 1
1 317 . 12 1 1 A 25 25 GLN C C 25 171.152 173.875 -2.723 1
1 318 . 12 1 1 A 25 25 GLN H H 25 7.706 7.925 -0.219 1
1 319 . 12 1 1 A 25 25 GLN HA H 25 5.123 5.107 0.016 1
1 325 . 12 1 1 A 26 26 ALA N N 26 121.300 127.095 -5.795 1
1 326 . 12 1 1 A 26 26 ALA CA C 26 49.951 50.328 -0.377 1
1 327 . 12 1 1 A 26 26 ALA CB C 26 22.406 22.605 -0.199 1
1 328 . 12 1 1 A 26 26 ALA C C 26 171.937 175.773 -3.836 1
1 329 . 12 1 1 A 26 26 ALA H H 26 9.195 8.954 0.241 1
1 330 . 12 1 1 A 26 26 ALA HA H 26 5.740 5.867 -0.127 1
1 334 . 12 1 1 A 27 27 ALA N N 27 120.100 121.367 -1.267 1
1 335 . 12 1 1 A 27 27 ALA CA C 27 50.524 50.696 -0.172 1
1 336 . 12 1 1 A 27 27 ALA CB C 27 24.047 21.730 2.317 1
1 337 . 12 1 1 A 27 27 ALA C C 27 174.984 176.842 -1.858 1
1 338 . 12 1 1 A 27 27 ALA H H 27 9.118 8.483 0.635 1
1 339 . 12 1 1 A 27 27 ALA HA H 27 5.353 4.822 0.531 1
1 343 . 12 1 1 A 28 28 GLU N N 28 112.600 118.994 -6.394 1
1 344 . 12 1 1 A 28 28 GLU CA C 28 56.032 57.218 -1.186 1
1 345 . 12 1 1 A 28 28 GLU CB C 28 25.966 27.586 -1.620 1
1 347 . 12 1 1 A 28 28 GLU C C 28 174.427 175.688 -1.261 1
1 348 . 12 1 1 A 28 28 GLU H H 28 8.453 8.732 -0.279 1
1 349 . 12 1 1 A 28 28 GLU HA H 28 3.648 3.795 -0.147 1
1 354 . 12 1 1 A 29 29 LEU N N 29 116.093 120.500 -4.407 1
1 355 . 12 1 1 A 29 29 LEU CA C 29 53.295 53.016 0.279 1
1 356 . 12 1 1 A 29 29 LEU CB C 29 39.640 40.990 -1.350 1
1 360 . 12 1 1 A 29 29 LEU C C 29 173.800 174.520 -0.720 1
1 361 . 12 1 1 A 29 29 LEU H H 29 7.951 8.196 -0.245 1
1 362 . 12 1 1 A 29 29 LEU HA H 29 4.330 4.595 -0.265 1
1 372 . 12 1 1 A 30 30 PRO CA C 30 61.760 62.692 -0.932 1
1 373 . 12 1 1 A 30 30 PRO CB C 30 31.492 31.940 -0.448 1
1 376 . 12 1 1 A 30 30 PRO C C 30 175.525 176.149 -0.624 1
1 377 . 12 1 1 A 30 30 PRO HA H 30 4.327 4.478 -0.151 1
1 383 . 12 1 1 A 31 31 ALA N N 31 122.487 124.308 -1.821 1
1 384 . 12 1 1 A 31 31 ALA CA C 31 50.604 51.559 -0.955 1
1 385 . 12 1 1 A 31 31 ALA CB C 31 18.576 19.954 -1.378 1
1 386 . 12 1 1 A 31 31 ALA C C 31 177.222 177.383 -0.161 1
1 387 . 12 1 1 A 31 31 ALA H H 31 8.128 8.355 -0.227 1
1 388 . 12 1 1 A 31 31 ALA HA H 31 4.130 4.561 -0.431 1
1 392 . 12 1 1 A 32 32 LEU N N 32 124.400 124.351 0.049 1
1 393 . 12 1 1 A 32 32 LEU CA C 32 55.041 53.629 1.412 1
1 394 . 12 1 1 A 32 32 LEU CB C 32 42.916 41.725 1.191 1
1 398 . 12 1 1 A 32 32 LEU C C 32 176.852 174.823 2.029 1
1 399 . 12 1 1 A 32 32 LEU H H 32 8.035 8.272 -0.237 1
1 400 . 12 1 1 A 32 32 LEU HA H 32 4.240 4.545 -0.305 1
1 410 . 12 1 1 A 33 33 ASP N N 33 119.800 120.003 -0.203 1
1 411 . 12 1 1 A 33 33 ASP CA C 33 52.948 53.077 -0.129 1
1 412 . 12 1 1 A 33 33 ASP CB C 33 41.578 44.641 -3.063 1
1 413 . 12 1 1 A 33 33 ASP C C 33 176.200 173.896 2.304 1
1 414 . 12 1 1 A 33 33 ASP H H 33 8.400 7.045 1.355 1
1 415 . 12 1 1 A 33 33 ASP HA H 33 4.785 5.059 -0.274 1
1 418 . 12 1 1 A 34 34 MET N N 34 120.000 122.067 -2.067 1
1 419 . 12 1 1 A 34 34 MET CA C 34 56.561 54.426 2.135 1
1 420 . 12 1 1 A 34 34 MET CB C 34 31.288 31.041 0.247 1
1 422 . 12 1 1 A 34 34 MET C C 34 176.483 176.566 -0.083 1
1 423 . 12 1 1 A 34 34 MET H H 34 8.492 8.809 -0.317 1
1 424 . 12 1 1 A 34 34 MET HA H 34 4.213 4.521 -0.308 1
1 429 . 12 1 1 A 35 35 GLY N N 35 110.400 109.194 1.206 1
1 430 . 12 1 1 A 35 35 GLY CA C 35 44.884 45.529 -0.645 1
1 431 . 12 1 1 A 35 35 GLY C C 35 174.831 175.152 -0.321 1
1 432 . 12 1 1 A 35 35 GLY H H 35 8.668 8.203 0.465 1
1 433 . 12 1 1 A 35 35 GLY HA3 H 35 4.039 4.029 0.010 1
1 434 . 12 1 1 A 35 35 GLY HA2 H 35 3.818 4.025 -0.207 1
1 435 . 12 1 1 A 36 36 GLY N N 36 107.400 109.511 -2.111 1
1 436 . 12 1 1 A 36 36 GLY CA C 36 45.427 46.648 -1.221 1
1 437 . 12 1 1 A 36 36 GLY C C 36 173.194 173.579 -0.385 1
1 438 . 12 1 1 A 36 36 GLY H H 36 8.008 7.594 0.414 1
1 439 . 12 1 1 A 36 36 GLY HA3 H 36 4.000 3.934 0.066 1
1 440 . 12 1 1 A 36 36 GLY HA2 H 36 3.861 3.931 -0.070 1
1 441 . 12 1 1 A 37 37 THR N N 37 111.100 110.404 0.696 1
1 442 . 12 1 1 A 37 37 THR CA C 37 59.954 59.484 0.470 1
1 443 . 12 1 1 A 37 37 THR CB C 37 70.589 72.831 -2.242 1
1 445 . 12 1 1 A 37 37 THR C C 37 171.355 172.627 -1.272 1
1 446 . 12 1 1 A 37 37 THR H H 37 7.476 7.489 -0.013 1
1 447 . 12 1 1 A 37 37 THR HA H 37 4.511 5.059 -0.548 1
1 450 . 12 1 1 A 38 38 SER N N 38 115.811 114.708 1.103 1
1 451 . 12 1 1 A 38 38 SER CA C 38 57.664 56.177 1.487 1
1 452 . 12 1 1 A 38 38 SER CB C 38 70.510 66.047 4.463 1
1 453 . 12 1 1 A 38 38 SER C C 38 170.198 173.236 -3.038 1
1 454 . 12 1 1 A 38 38 SER H H 38 7.257 8.935 -1.678 1
1 455 . 12 1 1 A 38 38 SER HA H 38 4.707 5.250 -0.543 1
1 458 . 12 1 1 A 39 39 ASP N N 39 121.288 120.619 0.669 1
1 459 . 12 1 1 A 39 39 ASP CA C 39 51.058 51.688 -0.630 1
1 460 . 12 1 1 A 39 39 ASP CB C 39 42.210 41.936 0.274 1
1 461 . 12 1 1 A 39 39 ASP C C 39 172.500 173.765 -1.265 1
1 462 . 12 1 1 A 39 39 ASP H H 39 8.698 8.862 -0.164 1
1 463 . 12 1 1 A 39 39 ASP HA H 39 5.940 6.219 -0.279 1
1 466 . 12 1 1 A 40 40 PRO CA C 40 62.440 63.520 -1.080 1
1 467 . 12 1 1 A 40 40 PRO CB C 40 34.370 32.595 1.775 1
1 470 . 12 1 1 A 40 40 PRO C C 40 176.317 175.223 1.094 1
1 471 . 12 1 1 A 40 40 PRO HA H 40 5.826 4.589 1.237 1
1 478 . 12 1 1 A 41 41 TYR N N 41 113.769 124.048 -10.279 1
1 479 . 12 1 1 A 41 41 TYR CA C 41 56.150 58.194 -2.044 1
1 480 . 12 1 1 A 41 41 TYR CB C 41 40.246 42.317 -2.071 1
1 481 . 12 1 1 A 41 41 TYR C C 41 171.425 174.047 -2.622 1
1 482 . 12 1 1 A 41 41 TYR H H 41 8.703 8.973 -0.270 1
1 483 . 12 1 1 A 41 41 TYR HA H 41 4.795 5.071 -0.276 1
1 487 . 12 1 1 A 42 42 VAL N N 42 119.919 123.842 -3.923 1
1 488 . 12 1 1 A 42 42 VAL CA C 42 60.064 61.188 -1.124 1
1 489 . 12 1 1 A 42 42 VAL CB C 42 33.816 31.920 1.896 1
1 492 . 12 1 1 A 42 42 VAL C C 42 174.456 175.200 -0.744 1
1 493 . 12 1 1 A 42 42 VAL HA H 42 5.020 5.781 -0.761 1
1 501 . 12 1 1 A 43 43 LYS N N 43 125.776 128.287 -2.511 1
1 502 . 12 1 1 A 43 43 LYS CA C 43 54.601 54.920 -0.319 1
1 503 . 12 1 1 A 43 43 LYS CB C 43 36.096 34.843 1.253 1
1 507 . 12 1 1 A 43 43 LYS C C 43 174.518 175.369 -0.851 1
1 508 . 12 1 1 A 43 43 LYS H H 43 9.415 9.265 0.150 1
1 509 . 12 1 1 A 43 43 LYS HA H 43 5.374 4.795 0.579 1
1 518 . 12 1 1 A 44 44 VAL N N 44 121.484 122.316 -0.832 1
1 519 . 12 1 1 A 44 44 VAL CA C 44 59.365 60.628 -1.263 1
1 520 . 12 1 1 A 44 44 VAL CB C 44 34.818 35.553 -0.735 1
1 523 . 12 1 1 A 44 44 VAL C C 44 173.928 174.187 -0.259 1
1 524 . 12 1 1 A 44 44 VAL H H 44 8.845 7.802 1.043 1
1 525 . 12 1 1 A 44 44 VAL HA H 44 5.326 4.805 0.521 1
1 533 . 12 1 1 A 45 45 PHE N N 45 120.600 125.371 -4.771 1
1 534 . 12 1 1 A 45 45 PHE CA C 45 55.886 55.961 -0.075 1
1 535 . 12 1 1 A 45 45 PHE CB C 45 39.882 43.882 -4.000 1
1 536 . 12 1 1 A 45 45 PHE C C 45 171.102 174.918 -3.816 1
1 537 . 12 1 1 A 45 45 PHE H H 45 8.254 9.837 -1.583 1
1 538 . 12 1 1 A 45 45 PHE HA H 45 4.971 5.165 -0.194 1
1 541 . 12 1 1 A 46 46 LEU N N 46 121.444 120.896 0.548 1
1 542 . 12 1 1 A 46 46 LEU CA C 46 52.376 53.652 -1.276 1
1 543 . 12 1 1 A 46 46 LEU CB C 46 43.229 45.594 -2.365 1
1 547 . 12 1 1 A 46 46 LEU C C 46 176.176 176.631 -0.455 1
1 548 . 12 1 1 A 46 46 LEU H H 46 9.137 9.089 0.048 1
1 549 . 12 1 1 A 46 46 LEU HA H 46 4.189 5.205 -1.016 1
1 559 . 12 1 1 A 47 47 LEU N N 47 123.900 120.820 3.080 1
1 560 . 12 1 1 A 47 47 LEU CA C 47 52.926 53.150 -0.224 1
1 561 . 12 1 1 A 47 47 LEU CB C 47 41.010 42.764 -1.754 1
1 565 . 12 1 1 A 47 47 LEU C C 47 175.800 178.189 -2.389 1
1 566 . 12 1 1 A 47 47 LEU H H 47 8.945 8.077 0.868 1
1 567 . 12 1 1 A 47 47 LEU HA H 47 4.185 4.659 -0.474 1
1 577 . 12 1 1 A 48 48 PRO CA C 48 62.992 65.843 -2.851 1
1 578 . 12 1 1 A 48 48 PRO CB C 48 24.080 31.735 -7.655 1
1 581 . 12 1 1 A 48 48 PRO C C 48 176.188 177.840 -1.652 1
1 582 . 12 1 1 A 48 48 PRO HA H 48 4.474 4.185 0.289 1
1 588 . 12 1 1 A 49 49 ASP N N 49 113.800 117.589 -3.789 1
1 589 . 12 1 1 A 49 49 ASP CA C 49 55.199 57.177 -1.978 1
1 590 . 12 1 1 A 49 49 ASP CB C 49 40.158 40.728 -0.570 1
1 591 . 12 1 1 A 49 49 ASP C C 49 175.304 176.087 -0.783 1
1 592 . 12 1 1 A 49 49 ASP H H 49 8.467 8.171 0.296 1
1 593 . 12 1 1 A 49 49 ASP HA H 49 4.576 4.415 0.161 1
1 596 . 12 1 1 A 50 50 LYS N N 50 120.081 118.949 1.132 1
1 597 . 12 1 1 A 50 50 LYS CA C 50 56.803 57.111 -0.308 1
1 598 . 12 1 1 A 50 50 LYS CB C 50 32.059 30.792 1.267 1
1 602 . 12 1 1 A 50 50 LYS H H 50 8.329 8.069 0.260 1
1 603 . 12 1 1 A 50 50 LYS HA H 50 3.949 4.077 -0.128 1
1 604 . 12 1 1 A 50 50 LYS C C 50 175.754 176.376 -0.622 1
1 613 . 12 1 1 A 51 51 LYS N N 51 117.896 118.348 -0.452 1
1 614 . 12 1 1 A 51 51 LYS CA C 51 57.360 55.852 1.508 1
1 615 . 12 1 1 A 51 51 LYS CB C 51 32.230 31.304 0.926 1
1 619 . 12 1 1 A 51 51 LYS H H 51 8.099 8.304 -0.205 1
1 620 . 12 1 1 A 51 51 LYS HA H 51 3.950 4.479 -0.529 1
1 621 . 12 1 1 A 51 51 LYS C C 51 176.619 175.059 1.560 1
1 630 . 12 1 1 A 52 52 LYS N N 52 120.200 121.684 -1.484 1
1 631 . 12 1 1 A 52 52 LYS CA C 52 54.688 55.508 -0.820 1
1 632 . 12 1 1 A 52 52 LYS CB C 52 31.829 35.279 -3.450 1
1 636 . 12 1 1 A 52 52 LYS H H 52 7.447 7.459 -0.012 1
1 637 . 12 1 1 A 52 52 LYS HA H 52 4.259 4.928 -0.669 1
1 638 . 12 1 1 A 52 52 LYS C C 52 173.420 175.187 -1.767 1
1 647 . 12 1 1 A 53 53 LYS N N 53 123.119 128.550 -5.431 1
1 648 . 12 1 1 A 53 53 LYS CA C 53 53.698 56.311 -2.613 1
1 649 . 12 1 1 A 53 53 LYS CB C 53 41.592 32.841 8.751 1
1 653 . 12 1 1 A 53 53 LYS H H 53 7.810 8.876 -1.066 1
1 654 . 12 1 1 A 53 53 LYS HA H 53 5.004 4.573 0.431 1
1 655 . 12 1 1 A 53 53 LYS C C 53 174.468 176.044 -1.576 1
1 664 . 12 1 1 A 54 54 PHE N N 54 120.200 124.162 -3.962 1
1 665 . 12 1 1 A 54 54 PHE CA C 54 56.583 54.794 1.789 1
1 666 . 12 1 1 A 54 54 PHE CB C 54 42.110 42.441 -0.331 1
1 667 . 12 1 1 A 54 54 PHE C C 54 173.801 174.410 -0.609 1
1 668 . 12 1 1 A 54 54 PHE H H 54 8.490 8.507 -0.017 1
1 669 . 12 1 1 A 54 54 PHE HA H 54 4.680 5.642 -0.962 1
1 672 . 12 1 1 A 55 55 GLU N N 55 117.600 119.051 -1.451 1
1 673 . 12 1 1 A 55 55 GLU CA C 55 53.537 55.251 -1.714 1
1 674 . 12 1 1 A 55 55 GLU CB C 55 33.241 32.524 0.717 1
1 676 . 12 1 1 A 55 55 GLU C C 55 176.694 176.338 0.356 1
1 677 . 12 1 1 A 55 55 GLU H H 55 8.309 8.887 -0.578 1
1 678 . 12 1 1 A 55 55 GLU HA H 55 5.690 4.950 0.740 1
1 683 . 12 1 1 A 56 56 THR N N 56 111.700 116.147 -4.447 1
1 684 . 12 1 1 A 56 56 THR CA C 56 60.989 61.100 -0.111 1
1 685 . 12 1 1 A 56 56 THR CB C 56 71.860 71.960 -0.100 1
1 687 . 12 1 1 A 56 56 THR C C 56 174.385 174.340 0.045 1
1 688 . 12 1 1 A 56 56 THR H H 56 8.775 8.748 0.027 1
1 689 . 12 1 1 A 56 56 THR HA H 56 4.838 4.927 -0.089 1
1 692 . 12 1 1 A 57 57 LYS N N 57 119.500 118.328 1.172 1
1 693 . 12 1 1 A 57 57 LYS CA C 57 56.775 56.578 0.197 1
1 694 . 12 1 1 A 57 57 LYS CB C 57 32.743 32.928 -0.185 1
1 698 . 12 1 1 A 57 57 LYS H H 57 9.787 8.105 1.682 1
1 699 . 12 1 1 A 57 57 LYS HA H 57 4.151 4.105 0.046 1
1 700 . 12 1 1 A 57 57 LYS C C 57 177.417 175.967 1.450 1
1 709 . 12 1 1 A 58 58 VAL N N 58 123.100 124.917 -1.817 1
1 710 . 12 1 1 A 58 58 VAL CA C 58 61.870 61.231 0.639 1
1 711 . 12 1 1 A 58 58 VAL CB C 58 32.081 32.539 -0.458 1
1 714 . 12 1 1 A 58 58 VAL C C 58 176.850 174.189 2.661 1
1 715 . 12 1 1 A 58 58 VAL H H 58 8.120 8.684 -0.564 1
1 716 . 12 1 1 A 58 58 VAL HA H 58 4.284 5.589 -1.305 1
1 724 . 12 1 1 A 59 59 HIS N N 59 128.800 128.692 0.108 1
1 725 . 12 1 1 A 59 59 HIS CA C 59 54.311 54.345 -0.034 1
1 726 . 12 1 1 A 59 59 HIS CB C 59 30.426 31.015 -0.589 1
1 727 . 12 1 1 A 59 59 HIS C C 59 172.101 174.629 -2.528 1
1 728 . 12 1 1 A 59 59 HIS H H 59 8.550 9.107 -0.557 1
1 729 . 12 1 1 A 59 59 HIS HA H 59 4.457 5.106 -0.649 1
1 732 . 12 1 1 A 60 60 ARG N N 60 118.700 124.035 -5.335 1
1 733 . 12 1 1 A 60 60 ARG CA C 60 55.702 56.529 -0.827 1
1 734 . 12 1 1 A 60 60 ARG CB C 60 30.713 30.262 0.451 1
1 737 . 12 1 1 A 60 60 ARG C C 60 176.252 176.049 0.203 1
1 738 . 12 1 1 A 60 60 ARG H H 60 8.211 8.535 -0.324 1
1 739 . 12 1 1 A 60 60 ARG HA H 60 4.389 4.214 0.175 1
1 746 . 12 1 1 A 61 61 LYS N N 61 122.500 118.040 4.460 1
1 747 . 12 1 1 A 61 61 LYS CA C 61 55.977 57.144 -1.167 1
1 748 . 12 1 1 A 61 61 LYS CB C 61 29.711 29.540 0.171 1
1 752 . 12 1 1 A 61 61 LYS H H 61 9.608 9.183 0.425 1
1 753 . 12 1 1 A 61 61 LYS HA H 61 3.946 3.999 -0.053 1
1 754 . 12 1 1 A 61 61 LYS C C 61 175.083 174.928 0.155 1
1 763 . 12 1 1 A 62 62 THR N N 62 113.400 112.135 1.265 1
1 764 . 12 1 1 A 62 62 THR CA C 62 59.755 61.028 -1.273 1
1 765 . 12 1 1 A 62 62 THR CB C 62 63.417 71.112 -7.695 1
1 767 . 12 1 1 A 62 62 THR C C 62 170.120 172.780 -2.660 1
1 768 . 12 1 1 A 62 62 THR H H 62 8.470 8.431 0.039 1
1 769 . 12 1 1 A 62 62 THR HA H 62 4.703 4.769 -0.066 1
1 772 . 12 1 1 A 63 63 LEU N N 63 123.100 128.355 -5.255 1
1 773 . 12 1 1 A 63 63 LEU CA C 63 52.833 55.178 -2.345 1
1 774 . 12 1 1 A 63 63 LEU CB C 63 40.311 42.651 -2.340 1
1 778 . 12 1 1 A 63 63 LEU C C 63 175.135 176.835 -1.700 1
1 779 . 12 1 1 A 63 63 LEU H H 63 8.257 8.728 -0.471 1
1 780 . 12 1 1 A 63 63 LEU HA H 63 4.483 4.799 -0.316 1
1 790 . 12 1 1 A 64 64 ASN N N 64 114.829 117.796 -2.967 1
1 792 . 12 1 1 A 64 64 ASN CA C 64 50.610 50.254 0.356 1
1 793 . 12 1 1 A 64 64 ASN CB C 64 40.550 38.976 1.574 1
1 794 . 12 1 1 A 64 64 ASN C C 64 171.500 172.783 -1.283 1
1 795 . 12 1 1 A 64 64 ASN H H 64 8.306 7.904 0.402 1
1 796 . 12 1 1 A 64 64 ASN HA H 64 5.450 5.164 0.286 1
1 801 . 12 1 1 A 65 65 PRO CA C 65 61.914 61.908 0.006 1
1 802 . 12 1 1 A 65 65 PRO CB C 65 30.780 31.931 -1.151 1
1 805 . 12 1 1 A 65 65 PRO C C 65 173.852 175.117 -1.265 1
1 806 . 12 1 1 A 65 65 PRO HA H 65 3.970 4.510 -0.540 1
1 813 . 12 1 1 A 66 66 VAL N N 66 121.000 121.559 -0.559 1
1 814 . 12 1 1 A 66 66 VAL CA C 66 61.782 60.571 1.211 1
1 815 . 12 1 1 A 66 66 VAL CB C 66 32.721 33.627 -0.906 1
1 818 . 12 1 1 A 66 66 VAL C C 66 175.152 175.828 -0.676 1
1 819 . 12 1 1 A 66 66 VAL H H 66 7.926 8.285 -0.359 1
1 820 . 12 1 1 A 66 66 VAL HA H 66 3.807 4.656 -0.849 1
1 828 . 12 1 1 A 67 67 PHE N N 67 123.400 129.501 -6.101 1
1 829 . 12 1 1 A 67 67 PHE CA C 67 59.262 61.311 -2.049 1
1 830 . 12 1 1 A 67 67 PHE CB C 67 39.849 39.783 0.066 1
1 831 . 12 1 1 A 67 67 PHE C C 67 175.748 175.478 0.270 1
1 832 . 12 1 1 A 67 67 PHE H H 67 8.150 9.273 -1.123 1
1 833 . 12 1 1 A 67 67 PHE HA H 67 4.378 4.488 -0.110 1
1 836 . 12 1 1 A 68 68 ASN N N 68 117.500 116.208 1.292 1
1 837 . 12 1 1 A 68 68 ASN CA C 68 53.983 54.251 -0.268 1
1 838 . 12 1 1 A 68 68 ASN CB C 68 37.351 36.763 0.588 1
1 839 . 12 1 1 A 68 68 ASN C C 68 173.314 173.834 -0.520 1
1 840 . 12 1 1 A 68 68 ASN H H 68 8.920 8.501 0.419 1
1 841 . 12 1 1 A 68 68 ASN HA H 68 4.350 5.123 -0.773 1
1 847 . 12 1 1 A 69 69 GLU N N 69 116.000 115.504 0.496 1
1 848 . 12 1 1 A 69 69 GLU CA C 69 55.742 54.420 1.322 1
1 849 . 12 1 1 A 69 69 GLU CB C 69 34.663 31.692 2.971 1
1 851 . 12 1 1 A 69 69 GLU C C 69 174.165 174.761 -0.596 1
1 852 . 12 1 1 A 69 69 GLU H H 69 7.931 8.222 -0.291 1
1 853 . 12 1 1 A 69 69 GLU HA H 69 4.638 4.771 -0.133 1
1 858 . 12 1 1 A 70 70 GLN N N 70 121.500 123.839 -2.339 1
1 860 . 12 1 1 A 70 70 GLN CA C 70 53.807 55.623 -1.816 1
1 861 . 12 1 1 A 70 70 GLN CB C 70 31.750 28.904 2.846 1
1 863 . 12 1 1 A 70 70 GLN C C 70 173.068 175.105 -2.037 1
1 864 . 12 1 1 A 70 70 GLN H H 70 8.174 8.359 -0.185 1
1 865 . 12 1 1 A 70 70 GLN HA H 70 4.985 3.902 1.083 1
1 872 . 12 1 1 A 71 71 PHE N N 71 124.300 123.347 0.953 1
1 873 . 12 1 1 A 71 71 PHE CA C 71 55.249 56.700 -1.451 1
1 874 . 12 1 1 A 71 71 PHE CB C 71 42.133 38.732 3.401 1
1 875 . 12 1 1 A 71 71 PHE C C 71 173.570 174.582 -1.012 1
1 876 . 12 1 1 A 71 71 PHE H H 71 9.040 8.111 0.929 1
1 877 . 12 1 1 A 71 71 PHE HA H 71 4.528 4.692 -0.164 1
1 880 . 12 1 1 A 72 72 THR N N 72 114.000 119.657 -5.657 1
1 881 . 12 1 1 A 72 72 THR CA C 72 59.491 61.933 -2.442 1
1 882 . 12 1 1 A 72 72 THR CB C 72 70.623 69.570 1.053 1
1 884 . 12 1 1 A 72 72 THR C C 72 172.834 173.795 -0.961 1
1 885 . 12 1 1 A 72 72 THR H H 72 7.763 8.719 -0.956 1
1 886 . 12 1 1 A 72 72 THR HA H 72 5.212 4.430 0.782 1
1 889 . 12 1 1 A 73 73 PHE N N 73 120.900 125.633 -4.733 1
1 890 . 12 1 1 A 73 73 PHE CA C 73 56.071 56.276 -0.205 1
1 891 . 12 1 1 A 73 73 PHE CB C 73 41.570 40.386 1.184 1
1 892 . 12 1 1 A 73 73 PHE C C 73 174.890 175.188 -0.298 1
1 893 . 12 1 1 A 73 73 PHE H H 73 8.983 8.904 0.079 1
1 894 . 12 1 1 A 73 73 PHE HA H 73 4.750 5.032 -0.282 1
1 897 . 12 1 1 A 74 74 LYS N N 74 127.500 125.169 2.331 1
1 898 . 12 1 1 A 74 74 LYS CA C 74 56.186 56.036 0.150 1
1 899 . 12 1 1 A 74 74 LYS CB C 74 30.577 30.680 -0.103 1
1 903 . 12 1 1 A 74 74 LYS C C 74 174.575 174.360 0.215 1
1 904 . 12 1 1 A 74 74 LYS H H 74 9.063 8.561 0.502 1
1 905 . 12 1 1 A 74 74 LYS HA H 74 4.690 4.493 0.197 1
1 914 . 12 1 1 A 75 75 VAL N N 75 126.600 123.955 2.645 1
1 915 . 12 1 1 A 75 75 VAL CA C 75 57.737 58.947 -1.210 1
1 916 . 12 1 1 A 75 75 VAL CB C 75 35.160 35.384 -0.224 1
1 919 . 12 1 1 A 75 75 VAL C C 75 171.500 173.451 -1.951 1
1 920 . 12 1 1 A 75 75 VAL H H 75 7.546 8.183 -0.637 1
1 921 . 12 1 1 A 75 75 VAL HA H 75 4.650 4.597 0.053 1
1 929 . 12 1 1 A 76 76 PRO CA C 76 62.476 62.776 -0.300 1
1 930 . 12 1 1 A 76 76 PRO CB C 76 32.143 32.670 -0.527 1
1 933 . 12 1 1 A 76 76 PRO C C 76 176.991 177.350 -0.359 1
1 934 . 12 1 1 A 76 76 PRO HA H 76 4.329 4.609 -0.280 1
1 941 . 12 1 1 A 77 77 TYR N N 77 128.500 126.604 1.896 1
1 942 . 12 1 1 A 77 77 TYR CA C 77 61.772 61.963 -0.191 1
1 943 . 12 1 1 A 77 77 TYR CB C 77 37.898 38.762 -0.864 1
1 944 . 12 1 1 A 77 77 TYR C C 77 177.516 177.445 0.071 1
1 945 . 12 1 1 A 77 77 TYR H H 77 8.626 9.083 -0.457 1
1 946 . 12 1 1 A 77 77 TYR HA H 77 3.403 4.032 -0.629 1
1 950 . 12 1 1 A 78 78 SER N N 78 110.600 114.233 -3.633 1
1 951 . 12 1 1 A 78 78 SER H H 78 8.509 8.572 -0.063 1
1 952 . 12 1 1 A 78 78 SER CA C 78 60.064 61.540 -1.476 1
1 953 . 12 1 1 A 78 78 SER CB C 78 62.022 62.355 -0.333 1
1 954 . 12 1 1 A 78 78 SER C C 78 175.292 176.427 -1.135 1
1 955 . 12 1 1 A 78 78 SER HA H 78 3.940 4.190 -0.250 1
1 958 . 12 1 1 A 79 79 GLU N N 79 119.000 121.535 -2.535 1
1 959 . 12 1 1 A 79 79 GLU CA C 79 55.273 56.290 -1.017 1
1 960 . 12 1 1 A 79 79 GLU CB C 79 30.302 30.270 0.032 1
1 962 . 12 1 1 A 79 79 GLU C C 79 177.218 178.947 -1.729 1
1 963 . 12 1 1 A 79 79 GLU H H 79 7.411 7.627 -0.216 1
1 964 . 12 1 1 A 79 79 GLU HA H 79 4.280 4.269 0.011 1
1 969 . 12 1 1 A 80 80 LEU N N 80 121.600 122.387 -0.787 1
1 970 . 12 1 1 A 80 80 LEU CA C 80 57.376 57.831 -0.455 1
1 971 . 12 1 1 A 80 80 LEU CB C 80 41.916 41.626 0.290 1
1 975 . 12 1 1 A 80 80 LEU C C 80 177.098 178.336 -1.238 1
1 976 . 12 1 1 A 80 80 LEU H H 80 7.311 8.184 -0.873 1
1 977 . 12 1 1 A 80 80 LEU HA H 80 3.643 3.970 -0.327 1
1 987 . 12 1 1 A 81 81 GLY N N 81 102.900 106.844 -3.944 1
1 988 . 12 1 1 A 81 81 GLY CA C 81 46.638 47.203 -0.565 1
1 989 . 12 1 1 A 81 81 GLY C C 81 174.240 176.495 -2.255 1
1 990 . 12 1 1 A 81 81 GLY H H 81 7.860 8.217 -0.357 1
1 991 . 12 1 1 A 81 81 GLY HA3 H 81 3.744 3.645 0.099 1
1 992 . 12 1 1 A 81 81 GLY HA2 H 81 3.434 3.645 -0.211 1
1 993 . 12 1 1 A 82 82 GLY N N 82 105.900 108.732 -2.832 1
1 994 . 12 1 1 A 82 82 GLY CA C 82 44.289 47.033 -2.744 1
1 995 . 12 1 1 A 82 82 GLY C C 82 174.591 174.599 -0.008 1
1 996 . 12 1 1 A 82 82 GLY H H 82 7.396 7.881 -0.485 1
1 997 . 12 1 1 A 82 82 GLY HA3 H 82 4.267 3.794 0.473 1
1 998 . 12 1 1 A 82 82 GLY HA2 H 82 3.760 3.790 -0.030 1
1 999 . 12 1 1 A 83 83 LYS N N 83 119.000 118.996 0.004 1
1 1000 . 12 1 1 A 83 83 LYS CA C 83 53.818 55.070 -1.252 1
1 1001 . 12 1 1 A 83 83 LYS CB C 83 33.814 33.644 0.170 1
1 1005 . 12 1 1 A 83 83 LYS H H 83 7.888 7.434 0.454 1
1 1006 . 12 1 1 A 83 83 LYS HA H 83 4.366 4.647 -0.281 1
1 1007 . 12 1 1 A 83 83 LYS C C 83 176.518 175.670 0.848 1
1 1015 . 12 1 1 A 84 84 THR N N 84 118.500 113.063 5.437 1
1 1016 . 12 1 1 A 84 84 THR CA C 84 61.914 60.651 1.263 1
1 1017 . 12 1 1 A 84 84 THR CB C 84 71.340 70.941 0.399 1
1 1019 . 12 1 1 A 84 84 THR C C 84 171.750 174.031 -2.281 1
1 1020 . 12 1 1 A 84 84 THR H H 84 8.248 8.849 -0.601 1
1 1021 . 12 1 1 A 84 84 THR HA H 84 4.638 5.286 -0.648 1
1 1024 . 12 1 1 A 85 85 LEU N N 85 130.500 123.407 7.093 1
1 1025 . 12 1 1 A 85 85 LEU CA C 85 53.982 53.290 0.692 1
1 1026 . 12 1 1 A 85 85 LEU CB C 85 43.826 43.253 0.573 1
1 1030 . 12 1 1 A 85 85 LEU C C 85 173.417 176.284 -2.867 1
1 1031 . 12 1 1 A 85 85 LEU H H 85 8.430 8.750 -0.320 1
1 1032 . 12 1 1 A 85 85 LEU HA H 85 4.417 4.993 -0.576 1
1 1042 . 12 1 1 A 86 86 VAL N N 86 127.723 117.532 10.191 1
1 1043 . 12 1 1 A 86 86 VAL CA C 86 61.206 59.440 1.766 1
1 1044 . 12 1 1 A 86 86 VAL CB C 86 31.856 34.965 -3.109 1
1 1047 . 12 1 1 A 86 86 VAL C C 86 173.599 173.956 -0.357 1
1 1048 . 12 1 1 A 86 86 VAL H H 86 8.771 9.458 -0.687 1
1 1049 . 12 1 1 A 86 86 VAL HA H 86 4.151 4.937 -0.786 1
1 1057 . 12 1 1 A 87 87 MET N N 87 122.600 123.270 -0.670 1
1 1058 . 12 1 1 A 87 87 MET CA C 87 53.654 54.300 -0.646 1
1 1059 . 12 1 1 A 87 87 MET CB C 87 31.288 35.792 -4.504 1
1 1061 . 12 1 1 A 87 87 MET C C 87 172.749 174.723 -1.974 1
1 1062 . 12 1 1 A 87 87 MET H H 87 7.503 9.334 -1.831 1
1 1063 . 12 1 1 A 87 87 MET HA H 87 4.706 5.083 -0.377 1
1 1068 . 12 1 1 A 88 88 ALA N N 88 124.200 128.358 -4.158 1
1 1069 . 12 1 1 A 88 88 ALA CA C 88 50.017 50.945 -0.928 1
1 1070 . 12 1 1 A 88 88 ALA CB C 88 23.107 21.640 1.467 1
1 1071 . 12 1 1 A 88 88 ALA C C 88 174.558 175.927 -1.369 1
1 1072 . 12 1 1 A 88 88 ALA H H 88 8.755 9.184 -0.429 1
1 1073 . 12 1 1 A 88 88 ALA HA H 88 4.948 5.222 -0.274 1
1 1077 . 12 1 1 A 89 89 VAL N N 89 122.900 123.659 -0.759 1
1 1078 . 12 1 1 A 89 89 VAL CA C 89 60.881 62.810 -1.929 1
1 1079 . 12 1 1 A 89 89 VAL CB C 89 31.541 31.734 -0.193 1
1 1082 . 12 1 1 A 89 89 VAL C C 89 173.707 174.842 -1.135 1
1 1083 . 12 1 1 A 89 89 VAL H H 89 8.813 8.576 0.237 1
1 1084 . 12 1 1 A 89 89 VAL HA H 89 4.652 4.711 -0.059 1
1 1092 . 12 1 1 A 90 90 TYR N N 90 128.400 128.596 -0.196 1
1 1093 . 12 1 1 A 90 90 TYR CA C 90 56.230 56.378 -0.148 1
1 1094 . 12 1 1 A 90 90 TYR CB C 90 43.211 42.418 0.793 1
1 1095 . 12 1 1 A 90 90 TYR C C 90 173.024 173.753 -0.729 1
1 1096 . 12 1 1 A 90 90 TYR H H 90 9.067 9.131 -0.064 1
1 1097 . 12 1 1 A 90 90 TYR HA H 90 4.766 5.373 -0.607 1
1 1101 . 12 1 1 A 91 91 ASP N N 91 116.300 128.499 -12.199 1
1 1102 . 12 1 1 A 91 91 ASP CA C 91 51.800 52.556 -0.756 1
1 1103 . 12 1 1 A 91 91 ASP CB C 91 42.265 41.737 0.528 1
1 1104 . 12 1 1 A 91 91 ASP C C 91 175.823 174.459 1.364 1
1 1105 . 12 1 1 A 91 91 ASP H H 91 8.700 8.660 0.040 1
1 1106 . 12 1 1 A 91 91 ASP HA H 91 5.098 4.786 0.312 1
1 1109 . 12 1 1 A 92 92 PHE N N 92 128.100 128.022 0.078 1
1 1110 . 12 1 1 A 92 92 PHE CA C 92 58.830 56.254 2.576 1
1 1111 . 12 1 1 A 92 92 PHE CB C 92 31.850 38.770 -6.920 1
1 1112 . 12 1 1 A 92 92 PHE C C 92 173.437 175.588 -2.151 1
1 1113 . 12 1 1 A 92 92 PHE H H 92 9.540 9.081 0.459 1
1 1114 . 12 1 1 A 92 92 PHE HA H 92 4.480 4.402 0.078 1
1 1117 . 12 1 1 A 93 93 ASP N N 93 122.100 124.222 -2.122 1
1 1118 . 12 1 1 A 93 93 ASP CA C 93 53.701 52.968 0.733 1
1 1119 . 12 1 1 A 93 93 ASP CB C 93 41.736 40.202 1.534 1
1 1120 . 12 1 1 A 93 93 ASP C C 93 175.548 175.795 -0.247 1
1 1121 . 12 1 1 A 93 93 ASP H H 93 7.812 8.412 -0.600 1
1 1122 . 12 1 1 A 93 93 ASP HA H 93 4.480 4.731 -0.251 1
1 1125 . 12 1 1 A 94 94 ARG N N 94 121.500 113.790 7.710 1
1 1126 . 12 1 1 A 94 94 ARG CA C 94 56.142 57.162 -1.020 1
1 1127 . 12 1 1 A 94 94 ARG CB C 94 30.173 27.863 2.310 1
1 1129 . 12 1 1 A 94 94 ARG C C 94 175.795 175.137 0.658 1
1 1130 . 12 1 1 A 94 94 ARG H H 94 8.264 7.349 0.915 1
1 1131 . 12 1 1 A 94 94 ARG HA H 94 4.000 3.503 0.497 1
1 1138 . 12 1 1 A 95 95 PHE N N 95 118.600 118.076 0.524 1
1 1139 . 12 1 1 A 95 95 PHE CA C 95 59.850 58.883 0.967 1
1 1140 . 12 1 1 A 95 95 PHE CB C 95 38.955 40.045 -1.090 1
1 1141 . 12 1 1 A 95 95 PHE C C 95 172.969 174.826 -1.857 1
1 1142 . 12 1 1 A 95 95 PHE H H 95 6.889 7.731 -0.842 1
1 1143 . 12 1 1 A 95 95 PHE HA H 95 4.373 4.841 -0.468 1
1 1146 . 12 1 1 A 96 96 SER N N 96 114.200 111.548 2.652 1
1 1147 . 12 1 1 A 96 96 SER H H 96 8.027 8.064 -0.037 1
1 1148 . 12 1 1 A 96 96 SER CA C 96 57.596 57.245 0.351 1
1 1149 . 12 1 1 A 96 96 SER CB C 96 63.494 65.897 -2.403 1
1 1150 . 12 1 1 A 96 96 SER C C 96 174.149 174.052 0.097 1
1 1151 . 12 1 1 A 96 96 SER HA H 96 4.220 4.567 -0.347 1
1 1154 . 12 1 1 A 97 97 LYS N N 97 121.600 120.321 1.279 1
1 1155 . 12 1 1 A 97 97 LYS CA C 97 58.206 56.012 2.194 1
1 1156 . 12 1 1 A 97 97 LYS CB C 97 31.860 33.141 -1.281 1
1 1159 . 12 1 1 A 97 97 LYS H H 97 8.264 8.415 -0.151 1
1 1160 . 12 1 1 A 97 97 LYS HA H 97 4.202 4.474 -0.272 1
1 1161 . 12 1 1 A 97 97 LYS C C 97 175.599 175.703 -0.104 1
1 1170 . 12 1 1 A 98 98 HIS N N 98 119.000 123.728 -4.728 1
1 1171 . 12 1 1 A 98 98 HIS CA C 98 54.159 56.005 -1.846 1
1 1172 . 12 1 1 A 98 98 HIS CB C 98 30.040 30.806 -0.766 1
1 1173 . 12 1 1 A 98 98 HIS C C 98 174.050 175.052 -1.002 1
1 1174 . 12 1 1 A 98 98 HIS H H 98 8.350 8.603 -0.253 1
1 1175 . 12 1 1 A 98 98 HIS HA H 98 4.784 4.845 -0.061 1
1 1178 . 12 1 1 A 99 99 ASP N N 99 122.600 122.413 0.187 1
1 1179 . 12 1 1 A 99 99 ASP CA C 99 53.806 54.593 -0.787 1
1 1180 . 12 1 1 A 99 99 ASP CB C 99 41.074 41.604 -0.530 1
1 1181 . 12 1 1 A 99 99 ASP C C 99 174.346 176.646 -2.300 1
1 1182 . 12 1 1 A 99 99 ASP H H 99 8.812 8.902 -0.090 1
1 1183 . 12 1 1 A 99 99 ASP HA H 99 4.781 4.785 -0.004 1
1 1186 . 12 1 1 A 100 100 ILE N N 100 122.400 120.519 1.881 1
1 1187 . 12 1 1 A 100 100 ILE CA C 100 60.989 61.678 -0.689 1
1 1188 . 12 1 1 A 100 100 ILE CB C 100 38.823 39.071 -0.248 1
1 1192 . 12 1 1 A 100 100 ILE C C 100 174.431 177.096 -2.665 1
1 1193 . 12 1 1 A 100 100 ILE H H 100 8.075 8.518 -0.443 1
1 1194 . 12 1 1 A 100 100 ILE HA H 100 3.405 4.437 -1.032 1
1 1204 . 12 1 1 A 101 101 ILE N N 101 127.400 121.021 6.379 1
1 1205 . 12 1 1 A 101 101 ILE CA C 101 63.380 63.722 -0.342 1
1 1206 . 12 1 1 A 101 101 ILE CB C 101 38.058 38.180 -0.122 1
1 1210 . 12 1 1 A 101 101 ILE C C 101 175.859 176.305 -0.446 1
1 1211 . 12 1 1 A 101 101 ILE H H 101 9.219 8.388 0.831 1
1 1212 . 12 1 1 A 101 101 ILE HA H 101 3.869 4.022 -0.153 1
1 1219 . 12 1 1 A 102 102 GLY N N 102 101.500 109.583 -8.083 1
1 1220 . 12 1 1 A 102 102 GLY CA C 102 45.259 45.878 -0.619 1
1 1221 . 12 1 1 A 102 102 GLY C C 102 169.614 171.450 -1.836 1
1 1222 . 12 1 1 A 102 102 GLY H H 102 7.241 7.387 -0.146 1
1 1223 . 12 1 1 A 102 102 GLY HA3 H 102 4.024 4.107 -0.083 1
1 1224 . 12 1 1 A 102 102 GLY HA2 H 102 3.811 4.107 -0.296 1
1 1225 . 12 1 1 A 103 103 GLU N N 103 117.100 118.947 -1.847 1
1 1226 . 12 1 1 A 103 103 GLU CA C 103 54.229 55.954 -1.725 1
1 1227 . 12 1 1 A 103 103 GLU CB C 103 34.012 33.605 0.407 1
1 1229 . 12 1 1 A 103 103 GLU C C 103 173.993 174.574 -0.581 1
1 1230 . 12 1 1 A 103 103 GLU H H 103 9.499 9.120 0.379 1
1 1231 . 12 1 1 A 103 103 GLU HA H 103 5.513 5.498 0.015 1
1 1236 . 12 1 1 A 104 104 PHE N N 104 115.900 126.270 -10.370 1
1 1237 . 12 1 1 A 104 104 PHE CA C 104 58.037 57.894 0.143 1
1 1238 . 12 1 1 A 104 104 PHE CB C 104 41.030 42.722 -1.692 1
1 1239 . 12 1 1 A 104 104 PHE C C 104 171.749 173.681 -1.932 1
1 1240 . 12 1 1 A 104 104 PHE H H 104 8.525 8.762 -0.237 1
1 1241 . 12 1 1 A 104 104 PHE HA H 104 4.731 5.007 -0.276 1
1 1244 . 12 1 1 A 105 105 LYS N N 105 118.900 127.127 -8.227 1
1 1245 . 12 1 1 A 105 105 LYS CA C 105 53.771 55.260 -1.489 1
1 1246 . 12 1 1 A 105 105 LYS CB C 105 34.953 34.718 0.235 1
1 1250 . 12 1 1 A 105 105 LYS H H 105 7.805 8.635 -0.830 1
1 1251 . 12 1 1 A 105 105 LYS HA H 105 5.188 4.890 0.298 1
1 1252 . 12 1 1 A 105 105 LYS C C 105 175.389 174.115 1.274 1
1 1261 . 12 1 1 A 106 106 VAL N N 106 121.400 120.600 0.800 1
1 1262 . 12 1 1 A 106 106 VAL CA C 106 58.522 58.505 0.017 1
1 1263 . 12 1 1 A 106 106 VAL CB C 106 34.050 35.106 -1.056 1
1 1266 . 12 1 1 A 106 106 VAL C C 106 173.300 173.390 -0.090 1
1 1267 . 12 1 1 A 106 106 VAL H H 106 9.276 8.152 1.124 1
1 1268 . 12 1 1 A 106 106 VAL HA H 106 4.430 4.704 -0.274 1
1 1276 . 12 1 1 A 107 107 PRO CA C 107 62.265 63.231 -0.966 1
1 1277 . 12 1 1 A 107 107 PRO CB C 107 31.157 32.288 -1.131 1
1 1280 . 12 1 1 A 107 107 PRO C C 107 178.967 178.036 0.931 1
1 1281 . 12 1 1 A 107 107 PRO HA H 107 4.703 4.477 0.226 1
1 1288 . 12 1 1 A 108 108 MET N N 108 126.300 123.798 2.502 1
1 1289 . 12 1 1 A 108 108 MET CA C 108 56.728 57.678 -0.950 1
1 1290 . 12 1 1 A 108 108 MET CB C 108 32.909 32.177 0.732 1
1 1292 . 12 1 1 A 108 108 MET C C 108 176.858 178.346 -1.488 1
1 1293 . 12 1 1 A 108 108 MET H H 108 8.716 8.391 0.325 1
1 1294 . 12 1 1 A 108 108 MET HA H 108 4.483 4.303 0.180 1
1 1299 . 12 1 1 A 109 109 ASN N N 109 115.600 116.677 -1.077 1
1 1300 . 12 1 1 A 109 109 ASN CA C 109 53.983 55.652 -1.669 1
1 1301 . 12 1 1 A 109 109 ASN CB C 109 36.227 37.105 -0.878 1
1 1302 . 12 1 1 A 109 109 ASN C C 109 175.789 177.107 -1.318 1
1 1303 . 12 1 1 A 109 109 ASN H H 109 8.342 8.739 -0.397 1
1 1304 . 12 1 1 A 109 109 ASN HA H 109 4.564 4.356 0.208 1
1 1310 . 12 1 1 A 110 110 THR N N 110 107.600 108.860 -1.260 1
1 1311 . 12 1 1 A 110 110 THR CA C 110 61.115 62.615 -1.500 1
1 1312 . 12 1 1 A 110 110 THR CB C 110 62.929 69.456 -6.527 1
1 1314 . 12 1 1 A 110 110 THR C C 110 173.508 174.526 -1.018 1
1 1315 . 12 1 1 A 110 110 THR H H 110 7.522 7.650 -0.128 1
1 1316 . 12 1 1 A 110 110 THR HA H 110 4.461 4.278 0.183 1
1 1319 . 12 1 1 A 111 111 VAL N N 111 123.700 124.411 -0.711 1
1 1320 . 12 1 1 A 111 111 VAL CA C 111 61.782 61.996 -0.214 1
1 1321 . 12 1 1 A 111 111 VAL CB C 111 32.821 32.102 0.719 1
1 1324 . 12 1 1 A 111 111 VAL C C 111 173.903 174.689 -0.786 1
1 1325 . 12 1 1 A 111 111 VAL H H 111 6.960 7.195 -0.235 1
1 1326 . 12 1 1 A 111 111 VAL HA H 111 3.703 4.143 -0.440 1
1 1334 . 12 1 1 A 112 112 ASP N N 112 125.800 128.216 -2.416 1
1 1335 . 12 1 1 A 112 112 ASP CA C 112 51.777 53.256 -1.479 1
1 1336 . 12 1 1 A 112 112 ASP CB C 112 40.648 40.683 -0.035 1
1 1337 . 12 1 1 A 112 112 ASP C C 112 175.407 175.265 0.142 1
1 1338 . 12 1 1 A 112 112 ASP H H 112 8.341 8.904 -0.563 1
1 1339 . 12 1 1 A 112 112 ASP HA H 112 4.719 5.013 -0.294 1
1 1342 . 12 1 1 A 113 113 PHE N N 113 122.700 125.364 -2.664 1
1 1343 . 12 1 1 A 113 113 PHE CA C 113 59.887 55.757 4.130 1
1 1344 . 12 1 1 A 113 113 PHE CB C 113 37.999 36.666 1.333 1
1 1345 . 12 1 1 A 113 113 PHE C C 113 175.854 176.226 -0.372 1
1 1346 . 12 1 1 A 113 113 PHE H H 113 8.391 9.245 -0.854 1
1 1347 . 12 1 1 A 113 113 PHE HA H 113 4.670 4.690 -0.020 1
1 1350 . 12 1 1 A 114 114 GLY N N 114 108.608 109.582 -0.974 1
1 1351 . 12 1 1 A 114 114 GLY CA C 114 45.657 46.980 -1.323 1
1 1352 . 12 1 1 A 114 114 GLY C C 114 172.963 175.781 -2.818 1
1 1353 . 12 1 1 A 114 114 GLY H H 114 8.953 8.502 0.451 1
1 1354 . 12 1 1 A 114 114 GLY HA3 H 114 4.018 3.424 0.594 1
1 1355 . 12 1 1 A 114 114 GLY HA2 H 114 3.912 3.342 0.570 1
1 1356 . 12 1 1 A 115 115 HIS N N 115 114.926 119.127 -4.201 1
1 1357 . 12 1 1 A 115 115 HIS CA C 115 53.533 56.062 -2.529 1
1 1358 . 12 1 1 A 115 115 HIS CB C 115 30.349 30.910 -0.561 1
1 1359 . 12 1 1 A 115 115 HIS C C 115 172.453 174.123 -1.670 1
1 1360 . 12 1 1 A 115 115 HIS H H 115 7.510 8.030 -0.520 1
1 1361 . 12 1 1 A 115 115 HIS HA H 115 4.868 5.036 -0.168 1
1 1364 . 12 1 1 A 116 116 VAL N N 116 122.100 118.206 3.894 1
1 1365 . 12 1 1 A 116 116 VAL CA C 116 62.992 61.322 1.670 1
1 1366 . 12 1 1 A 116 116 VAL CB C 116 31.850 33.952 -2.102 1
1 1369 . 12 1 1 A 116 116 VAL C C 116 176.352 175.020 1.332 1
1 1370 . 12 1 1 A 116 116 VAL H H 116 8.460 8.101 0.359 1
1 1371 . 12 1 1 A 116 116 VAL HA H 116 4.268 4.659 -0.391 1
1 1379 . 12 1 1 A 117 117 THR N N 117 124.700 123.103 1.597 1
1 1380 . 12 1 1 A 117 117 THR CA C 117 61.694 62.284 -0.590 1
1 1381 . 12 1 1 A 117 117 THR CB C 117 70.001 68.166 1.835 1
1 1383 . 12 1 1 A 117 117 THR C C 117 172.762 173.747 -0.985 1
1 1384 . 12 1 1 A 117 117 THR H H 117 8.550 9.058 -0.508 1
1 1385 . 12 1 1 A 117 117 THR HA H 117 4.460 4.443 0.017 1
1 1388 . 12 1 1 A 118 118 GLU N N 118 126.000 126.162 -0.162 1
1 1389 . 12 1 1 A 118 118 GLU CA C 118 55.038 54.891 0.147 1
1 1390 . 12 1 1 A 118 118 GLU CB C 118 30.835 31.776 -0.941 1
1 1392 . 12 1 1 A 118 118 GLU C C 118 174.419 174.630 -0.211 1
1 1393 . 12 1 1 A 118 118 GLU H H 118 8.382 8.759 -0.377 1
1 1394 . 12 1 1 A 118 118 GLU HA H 118 4.776 5.106 -0.330 1
1 1399 . 12 1 1 A 119 119 GLU N N 119 123.000 120.545 2.455 1
1 1400 . 12 1 1 A 119 119 GLU CA C 119 54.292 54.631 -0.339 1
1 1401 . 12 1 1 A 119 119 GLU CB C 119 32.909 33.470 -0.561 1
1 1403 . 12 1 1 A 119 119 GLU C C 119 173.072 174.173 -1.101 1
1 1404 . 12 1 1 A 119 119 GLU H H 119 8.057 8.758 -0.701 1
1 1405 . 12 1 1 A 119 119 GLU HA H 119 4.631 4.320 0.311 1
1 1410 . 12 1 1 A 120 120 TRP N N 120 118.300 122.372 -4.072 1
1 1411 . 12 1 1 A 120 120 TRP C C 120 177.336 175.051 2.285 1
1 1412 . 12 1 1 A 120 120 TRP CA C 120 55.672 56.432 -0.760 1
1 1413 . 12 1 1 A 120 120 TRP CB C 120 31.259 29.471 1.788 1
1 1414 . 12 1 1 A 120 120 TRP H H 120 8.212 8.159 0.053 1
1 1415 . 12 1 1 A 120 120 TRP HA H 120 5.322 5.073 0.249 1
1 1424 . 12 1 1 A 121 121 ARG N N 121 120.900 126.463 -5.563 1
1 1425 . 12 1 1 A 121 121 ARG CA C 121 53.631 53.998 -0.367 1
1 1426 . 12 1 1 A 121 121 ARG CB C 121 32.865 33.272 -0.407 1
1 1429 . 12 1 1 A 121 121 ARG C C 121 174.321 175.024 -0.703 1
1 1430 . 12 1 1 A 121 121 ARG H H 121 9.012 8.975 0.037 1
1 1431 . 12 1 1 A 121 121 ARG HA H 121 4.488 4.768 -0.280 1
1 1438 . 12 1 1 A 122 122 ASP N N 122 121.600 124.162 -2.562 1
1 1439 . 12 1 1 A 122 122 ASP CA C 122 53.795 52.822 0.973 1
1 1440 . 12 1 1 A 122 122 ASP CB C 122 40.544 41.962 -1.418 1
1 1441 . 12 1 1 A 122 122 ASP C C 122 176.041 174.817 1.224 1
1 1442 . 12 1 1 A 122 122 ASP H H 122 8.226 8.603 -0.377 1
1 1443 . 12 1 1 A 122 122 ASP HA H 122 4.791 5.360 -0.569 1
1 1446 . 12 1 1 A 123 123 LEU N N 123 120.700 125.650 -4.950 1
1 1447 . 12 1 1 A 123 123 LEU CA C 123 54.997 54.458 0.539 1
1 1448 . 12 1 1 A 123 123 LEU CB C 123 41.765 42.048 -0.283 1
1 1452 . 12 1 1 A 123 123 LEU C C 123 175.964 176.666 -0.702 1
1 1453 . 12 1 1 A 123 123 LEU H H 123 8.436 8.750 -0.314 1
1 1454 . 12 1 1 A 123 123 LEU HA H 123 4.125 4.963 -0.838 1
1 1464 . 12 1 1 A 124 124 GLN N N 124 119.200 125.432 -6.232 1
1 1466 . 12 1 1 A 124 124 GLN CA C 124 53.278 56.206 -2.928 1
1 1467 . 12 1 1 A 124 124 GLN CB C 124 31.232 29.288 1.944 1
1 1469 . 12 1 1 A 124 124 GLN C C 124 175.183 175.189 -0.006 1
1 1470 . 12 1 1 A 124 124 GLN H H 124 9.020 9.056 -0.036 1
1 1471 . 12 1 1 A 124 124 GLN HA H 124 4.738 4.455 0.283 1
1 1478 . 12 1 1 A 125 125 SER N N 125 115.300 118.854 -3.554 1
1 1479 . 12 1 1 A 125 125 SER H H 125 8.543 8.668 -0.125 1
1 1480 . 12 1 1 A 125 125 SER CA C 125 58.477 57.524 0.953 1
1 1481 . 12 1 1 A 125 125 SER CB C 125 63.274 63.259 0.015 1
1 1482 . 12 1 1 A 125 125 SER C C 125 174.609 173.825 0.784 1
1 1483 . 12 1 1 A 125 125 SER HA H 125 4.235 5.120 -0.885 1
1 1486 . 12 1 1 A 126 126 ALA N N 126 126.900 130.410 -3.510 1
1 1487 . 12 1 1 A 126 126 ALA CA C 126 51.636 50.319 1.317 1
1 1488 . 12 1 1 A 126 126 ALA CB C 126 19.845 20.838 -0.993 1
1 1489 . 12 1 1 A 126 126 ALA C C 126 176.876 176.740 0.136 1
1 1490 . 12 1 1 A 126 126 ALA H H 126 8.640 8.941 -0.301 1
1 1491 . 12 1 1 A 126 126 ALA HA H 126 4.216 5.140 -0.924 1
1 1495 . 12 1 1 A 127 127 GLU N N 127 120.600 122.811 -2.211 1
1 1496 . 12 1 1 A 127 127 GLU CA C 127 56.142 55.349 0.793 1
1 1497 . 12 1 1 A 127 127 GLU CB C 127 29.996 29.256 0.740 1
1 1499 . 12 1 1 A 127 127 GLU C C 127 175.129 175.501 -0.372 1
1 1500 . 12 1 1 A 127 127 GLU H H 127 8.204 8.753 -0.549 1
1 1501 . 12 1 1 A 127 127 GLU HA H 127 4.176 4.551 -0.375 1
1 12 . 13 1 1 A 2 2 LYS N N 2 123.200 118.205 4.995 1
1 13 . 13 1 1 A 2 2 LYS CA C 2 55.550 55.428 0.122 1
1 14 . 13 1 1 A 2 2 LYS CB C 2 31.730 33.262 -1.532 1
1 18 . 13 1 1 A 2 2 LYS H H 2 8.320 8.829 -0.509 1
1 19 . 13 1 1 A 2 2 LYS C C 2 176.041 175.742 0.299 1
1 20 . 13 1 1 A 2 2 LYS HA H 2 4.413 4.927 -0.514 1
1 29 . 13 1 1 A 3 3 LEU N N 3 124.700 125.263 -0.563 1
1 30 . 13 1 1 A 3 3 LEU CA C 3 53.800 55.409 -1.609 1
1 31 . 13 1 1 A 3 3 LEU CB C 3 43.351 42.941 0.410 1
1 35 . 13 1 1 A 3 3 LEU C C 3 173.289 176.762 -3.473 1
1 36 . 13 1 1 A 3 3 LEU H H 3 8.319 9.085 -0.766 1
1 37 . 13 1 1 A 3 3 LEU HA H 3 4.363 4.442 -0.079 1
1 47 . 13 1 1 A 4 4 GLY N N 4 102.100 105.926 -3.826 1
1 48 . 13 1 1 A 4 4 GLY CA C 4 44.232 44.177 0.055 1
1 49 . 13 1 1 A 4 4 GLY C C 4 174.476 172.991 1.485 1
1 50 . 13 1 1 A 4 4 GLY H H 4 7.412 7.798 -0.386 1
1 51 . 13 1 1 A 4 4 GLY HA3 H 4 4.367 4.024 0.343 1
1 52 . 13 1 1 A 4 4 GLY HA2 H 4 3.662 4.017 -0.355 1
1 53 . 13 1 1 A 5 5 LYS N N 5 114.993 120.227 -5.234 1
1 54 . 13 1 1 A 5 5 LYS CA C 5 54.807 54.514 0.293 1
1 55 . 13 1 1 A 5 5 LYS CB C 5 36.664 36.657 0.007 1
1 59 . 13 1 1 A 5 5 LYS C C 5 173.762 175.000 -1.238 1
1 60 . 13 1 1 A 5 5 LYS H H 5 8.748 8.356 0.392 1
1 61 . 13 1 1 A 5 5 LYS HA H 5 5.333 5.168 0.165 1
1 70 . 13 1 1 A 6 6 LEU N N 6 122.195 120.369 1.826 1
1 71 . 13 1 1 A 6 6 LEU CA C 6 53.760 53.560 0.200 1
1 72 . 13 1 1 A 6 6 LEU CB C 6 47.948 44.238 3.710 1
1 76 . 13 1 1 A 6 6 LEU C C 6 172.524 176.017 -3.493 1
1 77 . 13 1 1 A 6 6 LEU H H 6 9.058 9.846 -0.788 1
1 78 . 13 1 1 A 6 6 LEU HA H 6 5.312 6.195 -0.883 1
1 88 . 13 1 1 A 7 7 GLN N N 7 127.800 124.861 2.939 1
1 90 . 13 1 1 A 7 7 GLN CA C 7 52.595 55.171 -2.576 1
1 91 . 13 1 1 A 7 7 GLN CB C 7 28.032 29.451 -1.419 1
1 93 . 13 1 1 A 7 7 GLN C C 7 173.707 174.671 -0.964 1
1 94 . 13 1 1 A 7 7 GLN H H 7 8.945 8.637 0.308 1
1 95 . 13 1 1 A 7 7 GLN HA H 7 5.170 5.193 -0.023 1
1 102 . 13 1 1 A 8 8 TYR N N 8 125.700 124.165 1.535 1
1 103 . 13 1 1 A 8 8 TYR CA C 8 54.578 57.525 -2.947 1
1 104 . 13 1 1 A 8 8 TYR CB C 8 42.236 40.446 1.790 1
1 105 . 13 1 1 A 8 8 TYR C C 8 171.582 174.043 -2.461 1
1 106 . 13 1 1 A 8 8 TYR H H 8 8.445 8.507 -0.062 1
1 107 . 13 1 1 A 8 8 TYR HA H 8 5.401 5.029 0.372 1
1 110 . 13 1 1 A 9 9 SER N N 9 113.300 116.949 -3.649 1
1 111 . 13 1 1 A 9 9 SER H H 9 9.486 8.412 1.074 1
1 112 . 13 1 1 A 9 9 SER CA C 9 55.195 57.385 -2.190 1
1 113 . 13 1 1 A 9 9 SER CB C 9 67.116 65.307 1.809 1
1 114 . 13 1 1 A 9 9 SER C C 9 173.486 172.959 0.527 1
1 115 . 13 1 1 A 9 9 SER HA H 9 5.400 5.536 -0.136 1
1 118 . 13 1 1 A 10 10 LEU N N 10 120.700 127.845 -7.145 1
1 119 . 13 1 1 A 10 10 LEU CA C 10 53.388 53.696 -0.308 1
1 120 . 13 1 1 A 10 10 LEU CB C 10 46.946 44.114 2.832 1
1 121 . 13 1 1 A 10 10 LEU C C 10 174.640 175.244 -0.604 1
1 125 . 13 1 1 A 10 10 LEU H H 10 8.698 9.910 -1.212 1
1 126 . 13 1 1 A 10 10 LEU HA H 10 5.471 5.102 0.369 1
1 136 . 13 1 1 A 11 11 ASP N N 11 119.760 123.632 -3.872 1
1 137 . 13 1 1 A 11 11 ASP CA C 11 52.525 52.498 0.027 1
1 138 . 13 1 1 A 11 11 ASP CB C 11 44.683 45.091 -0.408 1
1 139 . 13 1 1 A 11 11 ASP C C 11 173.093 173.861 -0.768 1
1 140 . 13 1 1 A 11 11 ASP H H 11 8.673 9.149 -0.476 1
1 141 . 13 1 1 A 11 11 ASP HA H 11 5.126 5.580 -0.454 1
1 144 . 13 1 1 A 12 12 TYR N N 12 124.200 121.303 2.897 1
1 145 . 13 1 1 A 12 12 TYR CA C 12 57.883 57.451 0.432 1
1 146 . 13 1 1 A 12 12 TYR CB C 12 40.054 41.737 -1.683 1
1 147 . 13 1 1 A 12 12 TYR C C 12 171.962 172.775 -0.813 1
1 148 . 13 1 1 A 12 12 TYR H H 12 8.898 8.846 0.052 1
1 149 . 13 1 1 A 12 12 TYR HA H 12 4.609 5.156 -0.547 1
1 154 . 13 1 1 A 13 13 ASP N N 13 126.400 128.988 -2.588 1
1 155 . 13 1 1 A 13 13 ASP CA C 13 51.141 52.409 -1.268 1
1 156 . 13 1 1 A 13 13 ASP CB C 13 40.891 42.124 -1.233 1
1 157 . 13 1 1 A 13 13 ASP C C 13 175.599 176.298 -0.699 1
1 158 . 13 1 1 A 13 13 ASP H H 13 8.018 8.673 -0.655 1
1 159 . 13 1 1 A 13 13 ASP HA H 13 4.591 4.597 -0.006 1
1 162 . 13 1 1 A 14 14 PHE N N 14 123.575 123.878 -0.303 1
1 163 . 13 1 1 A 14 14 PHE CA C 14 60.734 58.290 2.444 1
1 164 . 13 1 1 A 14 14 PHE CB C 14 38.821 38.611 0.210 1
1 165 . 13 1 1 A 14 14 PHE C C 14 176.704 175.860 0.844 1
1 166 . 13 1 1 A 14 14 PHE H H 14 8.540 7.827 0.713 1
1 167 . 13 1 1 A 14 14 PHE HA H 14 4.187 4.046 0.141 1
1 170 . 13 1 1 A 15 15 GLN N N 15 118.500 117.051 1.449 1
1 172 . 13 1 1 A 15 15 GLN CA C 15 57.927 55.715 2.212 1
1 173 . 13 1 1 A 15 15 GLN CB C 15 28.129 27.993 0.136 1
1 175 . 13 1 1 A 15 15 GLN C C 15 176.646 176.573 0.073 1
1 176 . 13 1 1 A 15 15 GLN H H 15 8.307 6.915 1.392 1
1 177 . 13 1 1 A 15 15 GLN HA H 15 4.150 4.209 -0.059 1
1 184 . 13 1 1 A 16 16 ASN N N 16 113.392 116.638 -3.246 1
1 185 . 13 1 1 A 16 16 ASN CA C 16 52.051 51.863 0.188 1
1 186 . 13 1 1 A 16 16 ASN CB C 16 39.238 37.836 1.402 1
1 187 . 13 1 1 A 16 16 ASN C C 16 173.191 175.530 -2.339 1
1 188 . 13 1 1 A 16 16 ASN H H 16 7.347 7.793 -0.446 1
1 189 . 13 1 1 A 16 16 ASN HA H 16 4.682 4.656 0.026 1
1 195 . 13 1 1 A 17 17 ASN N N 17 118.200 116.658 1.542 1
1 196 . 13 1 1 A 17 17 ASN CA C 17 54.524 54.083 0.441 1
1 197 . 13 1 1 A 17 17 ASN CB C 17 36.825 37.282 -0.457 1
1 198 . 13 1 1 A 17 17 ASN C C 17 175.797 174.076 1.721 1
1 199 . 13 1 1 A 17 17 ASN H H 17 7.682 8.029 -0.347 1
1 200 . 13 1 1 A 17 17 ASN HA H 17 4.300 4.500 -0.200 1
1 206 . 13 1 1 A 18 18 GLN N N 18 110.518 114.953 -4.435 1
1 208 . 13 1 1 A 18 18 GLN CA C 18 52.888 53.782 -0.894 1
1 209 . 13 1 1 A 18 18 GLN CB C 18 31.353 31.608 -0.255 1
1 211 . 13 1 1 A 18 18 GLN C C 18 171.717 174.257 -2.540 1
1 212 . 13 1 1 A 18 18 GLN H H 18 6.757 7.523 -0.766 1
1 213 . 13 1 1 A 18 18 GLN HA H 18 4.911 5.137 -0.226 1
1 220 . 13 1 1 A 19 19 LEU N N 19 124.400 123.896 0.504 1
1 221 . 13 1 1 A 19 19 LEU CA C 19 53.873 54.410 -0.537 1
1 222 . 13 1 1 A 19 19 LEU CB C 19 44.558 42.413 2.145 1
1 226 . 13 1 1 A 19 19 LEU C C 19 173.731 176.195 -2.464 1
1 227 . 13 1 1 A 19 19 LEU H H 19 9.048 8.235 0.813 1
1 228 . 13 1 1 A 19 19 LEU HA H 19 4.543 4.609 -0.066 1
1 238 . 13 1 1 A 20 20 LEU N N 20 128.415 125.414 3.001 1
1 239 . 13 1 1 A 20 20 LEU CA C 20 53.695 54.102 -0.407 1
1 240 . 13 1 1 A 20 20 LEU CB C 20 41.956 45.644 -3.688 1
1 244 . 13 1 1 A 20 20 LEU C C 20 175.696 174.436 1.260 1
1 245 . 13 1 1 A 20 20 LEU H H 20 9.021 9.780 -0.759 1
1 246 . 13 1 1 A 20 20 LEU HA H 20 4.852 4.859 -0.007 1
1 256 . 13 1 1 A 21 21 VAL N N 21 125.838 126.985 -1.147 1
1 257 . 13 1 1 A 21 21 VAL CA C 21 60.511 60.893 -0.382 1
1 258 . 13 1 1 A 21 21 VAL CB C 21 45.331 34.794 10.537 1
1 260 . 13 1 1 A 21 21 VAL C C 21 173.979 174.685 -0.706 1
1 261 . 13 1 1 A 21 21 VAL H H 21 9.073 8.451 0.622 1
1 262 . 13 1 1 A 21 21 VAL HA H 21 4.853 4.509 0.344 1
1 270 . 13 1 1 A 22 22 GLY N N 22 117.254 114.236 3.018 1
1 271 . 13 1 1 A 22 22 GLY CA C 22 43.843 45.550 -1.707 1
1 272 . 13 1 1 A 22 22 GLY C C 22 172.485 174.742 -2.257 1
1 273 . 13 1 1 A 22 22 GLY H H 22 9.486 8.993 0.493 1
1 274 . 13 1 1 A 22 22 GLY HA3 H 22 4.653 4.032 0.621 1
1 275 . 13 1 1 A 22 22 GLY HA2 H 22 3.520 4.012 -0.492 1
1 276 . 13 1 1 A 23 23 ILE N N 23 125.106 123.758 1.348 1
1 277 . 13 1 1 A 23 23 ILE CA C 23 58.182 60.324 -2.142 1
1 278 . 13 1 1 A 23 23 ILE CB C 23 35.290 38.758 -3.468 1
1 282 . 13 1 1 A 23 23 ILE C C 23 174.346 176.185 -1.839 1
1 283 . 13 1 1 A 23 23 ILE H H 23 8.831 8.636 0.195 1
1 284 . 13 1 1 A 23 23 ILE HA H 23 4.330 4.725 -0.395 1
1 294 . 13 1 1 A 24 24 ILE N N 24 126.735 120.893 5.842 1
1 295 . 13 1 1 A 24 24 ILE CA C 24 65.005 62.637 2.368 1
1 296 . 13 1 1 A 24 24 ILE CB C 24 37.790 38.365 -0.575 1
1 300 . 13 1 1 A 24 24 ILE C C 24 177.149 175.887 1.262 1
1 301 . 13 1 1 A 24 24 ILE H H 24 8.365 8.387 -0.022 1
1 302 . 13 1 1 A 24 24 ILE HA H 24 3.903 3.990 -0.087 1
1 312 . 13 1 1 A 25 25 GLN N N 25 110.662 116.218 -5.556 1
1 314 . 13 1 1 A 25 25 GLN CA C 25 54.295 55.350 -1.055 1
1 315 . 13 1 1 A 25 25 GLN CB C 25 30.953 32.068 -1.115 1
1 317 . 13 1 1 A 25 25 GLN C C 25 171.152 173.540 -2.388 1
1 318 . 13 1 1 A 25 25 GLN H H 25 7.706 7.558 0.148 1
1 319 . 13 1 1 A 25 25 GLN HA H 25 5.123 4.448 0.675 1
1 325 . 13 1 1 A 26 26 ALA N N 26 121.300 127.310 -6.010 1
1 326 . 13 1 1 A 26 26 ALA CA C 26 49.951 49.543 0.408 1
1 327 . 13 1 1 A 26 26 ALA CB C 26 22.406 22.591 -0.185 1
1 328 . 13 1 1 A 26 26 ALA C C 26 171.937 175.390 -3.453 1
1 329 . 13 1 1 A 26 26 ALA H H 26 9.195 8.261 0.934 1
1 330 . 13 1 1 A 26 26 ALA HA H 26 5.740 6.136 -0.396 1
1 334 . 13 1 1 A 27 27 ALA N N 27 120.100 121.931 -1.831 1
1 335 . 13 1 1 A 27 27 ALA CA C 27 50.524 50.613 -0.089 1
1 336 . 13 1 1 A 27 27 ALA CB C 27 24.047 21.428 2.619 1
1 337 . 13 1 1 A 27 27 ALA C C 27 174.984 176.783 -1.799 1
1 338 . 13 1 1 A 27 27 ALA H H 27 9.118 8.570 0.548 1
1 339 . 13 1 1 A 27 27 ALA HA H 27 5.353 4.716 0.637 1
1 343 . 13 1 1 A 28 28 GLU N N 28 112.600 119.208 -6.608 1
1 344 . 13 1 1 A 28 28 GLU CA C 28 56.032 57.380 -1.348 1
1 345 . 13 1 1 A 28 28 GLU CB C 28 25.966 27.477 -1.511 1
1 347 . 13 1 1 A 28 28 GLU C C 28 174.427 175.276 -0.849 1
1 348 . 13 1 1 A 28 28 GLU H H 28 8.453 8.533 -0.080 1
1 349 . 13 1 1 A 28 28 GLU HA H 28 3.648 3.799 -0.151 1
1 354 . 13 1 1 A 29 29 LEU N N 29 116.093 120.636 -4.543 1
1 355 . 13 1 1 A 29 29 LEU CA C 29 53.295 51.529 1.766 1
1 356 . 13 1 1 A 29 29 LEU CB C 29 39.640 42.094 -2.454 1
1 360 . 13 1 1 A 29 29 LEU C C 29 173.800 174.758 -0.958 1
1 361 . 13 1 1 A 29 29 LEU H H 29 7.951 8.399 -0.448 1
1 362 . 13 1 1 A 29 29 LEU HA H 29 4.330 4.772 -0.442 1
1 372 . 13 1 1 A 30 30 PRO CA C 30 61.760 63.032 -1.272 1
1 373 . 13 1 1 A 30 30 PRO CB C 30 31.492 32.034 -0.542 1
1 376 . 13 1 1 A 30 30 PRO C C 30 175.525 176.844 -1.319 1
1 377 . 13 1 1 A 30 30 PRO HA H 30 4.327 4.447 -0.120 1
1 383 . 13 1 1 A 31 31 ALA N N 31 122.487 124.850 -2.363 1
1 384 . 13 1 1 A 31 31 ALA CA C 31 50.604 52.423 -1.819 1
1 385 . 13 1 1 A 31 31 ALA CB C 31 18.576 19.572 -0.996 1
1 386 . 13 1 1 A 31 31 ALA C C 31 177.222 177.437 -0.215 1
1 387 . 13 1 1 A 31 31 ALA H H 31 8.128 8.309 -0.181 1
1 388 . 13 1 1 A 31 31 ALA HA H 31 4.130 4.486 -0.356 1
1 392 . 13 1 1 A 32 32 LEU N N 32 124.400 123.360 1.040 1
1 393 . 13 1 1 A 32 32 LEU CA C 32 55.041 53.671 1.370 1
1 394 . 13 1 1 A 32 32 LEU CB C 32 42.916 42.040 0.876 1
1 398 . 13 1 1 A 32 32 LEU C C 32 176.852 174.686 2.166 1
1 399 . 13 1 1 A 32 32 LEU H H 32 8.035 8.727 -0.692 1
1 400 . 13 1 1 A 32 32 LEU HA H 32 4.240 4.733 -0.493 1
1 410 . 13 1 1 A 33 33 ASP N N 33 119.800 120.246 -0.446 1
1 411 . 13 1 1 A 33 33 ASP CA C 33 52.948 53.227 -0.279 1
1 412 . 13 1 1 A 33 33 ASP CB C 33 41.578 44.776 -3.198 1
1 413 . 13 1 1 A 33 33 ASP C C 33 176.200 174.098 2.102 1
1 414 . 13 1 1 A 33 33 ASP H H 33 8.400 7.115 1.285 1
1 415 . 13 1 1 A 33 33 ASP HA H 33 4.785 5.090 -0.305 1
1 418 . 13 1 1 A 34 34 MET N N 34 120.000 122.188 -2.188 1
1 419 . 13 1 1 A 34 34 MET CA C 34 56.561 54.530 2.031 1
1 420 . 13 1 1 A 34 34 MET CB C 34 31.288 31.015 0.273 1
1 422 . 13 1 1 A 34 34 MET C C 34 176.483 176.544 -0.061 1
1 423 . 13 1 1 A 34 34 MET H H 34 8.492 8.794 -0.302 1
1 424 . 13 1 1 A 34 34 MET HA H 34 4.213 4.486 -0.273 1
1 429 . 13 1 1 A 35 35 GLY N N 35 110.400 108.473 1.927 1
1 430 . 13 1 1 A 35 35 GLY CA C 35 44.884 45.525 -0.641 1
1 431 . 13 1 1 A 35 35 GLY C C 35 174.831 175.154 -0.323 1
1 432 . 13 1 1 A 35 35 GLY H H 35 8.668 8.138 0.530 1
1 433 . 13 1 1 A 35 35 GLY HA3 H 35 4.039 4.043 -0.004 1
1 434 . 13 1 1 A 35 35 GLY HA2 H 35 3.818 4.036 -0.218 1
1 435 . 13 1 1 A 36 36 GLY N N 36 107.400 109.762 -2.362 1
1 436 . 13 1 1 A 36 36 GLY CA C 36 45.427 46.653 -1.226 1
1 437 . 13 1 1 A 36 36 GLY C C 36 173.194 173.588 -0.394 1
1 438 . 13 1 1 A 36 36 GLY H H 36 8.008 7.597 0.411 1
1 439 . 13 1 1 A 36 36 GLY HA3 H 36 4.000 3.940 0.060 1
1 440 . 13 1 1 A 36 36 GLY HA2 H 36 3.861 3.937 -0.076 1
1 441 . 13 1 1 A 37 37 THR N N 37 111.100 110.432 0.668 1
1 442 . 13 1 1 A 37 37 THR CA C 37 59.954 59.639 0.315 1
1 443 . 13 1 1 A 37 37 THR CB C 37 70.589 72.829 -2.240 1
1 445 . 13 1 1 A 37 37 THR C C 37 171.355 172.629 -1.274 1
1 446 . 13 1 1 A 37 37 THR H H 37 7.476 7.550 -0.074 1
1 447 . 13 1 1 A 37 37 THR HA H 37 4.511 5.049 -0.538 1
1 450 . 13 1 1 A 38 38 SER N N 38 115.811 114.782 1.029 1
1 451 . 13 1 1 A 38 38 SER CA C 38 57.664 56.459 1.205 1
1 452 . 13 1 1 A 38 38 SER CB C 38 70.510 66.329 4.181 1
1 453 . 13 1 1 A 38 38 SER C C 38 170.198 173.182 -2.984 1
1 454 . 13 1 1 A 38 38 SER H H 38 7.257 8.984 -1.727 1
1 455 . 13 1 1 A 38 38 SER HA H 38 4.707 5.174 -0.467 1
1 458 . 13 1 1 A 39 39 ASP N N 39 121.288 120.616 0.672 1
1 459 . 13 1 1 A 39 39 ASP CA C 39 51.058 51.752 -0.694 1
1 460 . 13 1 1 A 39 39 ASP CB C 39 42.210 42.084 0.126 1
1 461 . 13 1 1 A 39 39 ASP C C 39 172.500 173.526 -1.026 1
1 462 . 13 1 1 A 39 39 ASP H H 39 8.698 9.094 -0.396 1
1 463 . 13 1 1 A 39 39 ASP HA H 39 5.940 6.248 -0.308 1
1 466 . 13 1 1 A 40 40 PRO CA C 40 62.440 63.105 -0.665 1
1 467 . 13 1 1 A 40 40 PRO CB C 40 34.370 32.808 1.562 1
1 470 . 13 1 1 A 40 40 PRO C C 40 176.317 175.465 0.852 1
1 471 . 13 1 1 A 40 40 PRO HA H 40 5.826 4.887 0.939 1
1 478 . 13 1 1 A 41 41 TYR N N 41 113.769 124.176 -10.407 1
1 479 . 13 1 1 A 41 41 TYR CA C 41 56.150 57.910 -1.760 1
1 480 . 13 1 1 A 41 41 TYR CB C 41 40.246 42.044 -1.798 1
1 481 . 13 1 1 A 41 41 TYR C C 41 171.425 173.367 -1.942 1
1 482 . 13 1 1 A 41 41 TYR H H 41 8.703 9.023 -0.320 1
1 483 . 13 1 1 A 41 41 TYR HA H 41 4.795 4.904 -0.109 1
1 487 . 13 1 1 A 42 42 VAL N N 42 119.919 122.899 -2.980 1
1 488 . 13 1 1 A 42 42 VAL CA C 42 60.064 60.598 -0.534 1
1 489 . 13 1 1 A 42 42 VAL CB C 42 33.816 32.822 0.994 1
1 492 . 13 1 1 A 42 42 VAL C C 42 174.456 174.803 -0.347 1
1 493 . 13 1 1 A 42 42 VAL HA H 42 5.020 4.662 0.358 1
1 501 . 13 1 1 A 43 43 LYS N N 43 125.776 125.881 -0.105 1
1 502 . 13 1 1 A 43 43 LYS CA C 43 54.601 56.216 -1.615 1
1 503 . 13 1 1 A 43 43 LYS CB C 43 36.096 33.432 2.664 1
1 507 . 13 1 1 A 43 43 LYS C C 43 174.518 175.743 -1.225 1
1 508 . 13 1 1 A 43 43 LYS H H 43 9.415 9.589 -0.174 1
1 509 . 13 1 1 A 43 43 LYS HA H 43 5.374 4.802 0.572 1
1 518 . 13 1 1 A 44 44 VAL N N 44 121.484 125.386 -3.902 1
1 519 . 13 1 1 A 44 44 VAL CA C 44 59.365 61.227 -1.862 1
1 520 . 13 1 1 A 44 44 VAL CB C 44 34.818 32.651 2.167 1
1 523 . 13 1 1 A 44 44 VAL C C 44 173.928 175.264 -1.336 1
1 524 . 13 1 1 A 44 44 VAL H H 44 8.845 8.626 0.219 1
1 525 . 13 1 1 A 44 44 VAL HA H 44 5.326 4.824 0.502 1
1 533 . 13 1 1 A 45 45 PHE N N 45 120.600 125.273 -4.673 1
1 534 . 13 1 1 A 45 45 PHE CA C 45 55.886 56.066 -0.180 1
1 535 . 13 1 1 A 45 45 PHE CB C 45 39.882 44.285 -4.403 1
1 536 . 13 1 1 A 45 45 PHE C C 45 171.102 174.761 -3.659 1
1 537 . 13 1 1 A 45 45 PHE H H 45 8.254 8.969 -0.715 1
1 538 . 13 1 1 A 45 45 PHE HA H 45 4.971 5.240 -0.269 1
1 541 . 13 1 1 A 46 46 LEU N N 46 121.444 121.207 0.237 1
1 542 . 13 1 1 A 46 46 LEU CA C 46 52.376 53.819 -1.443 1
1 543 . 13 1 1 A 46 46 LEU CB C 46 43.229 45.837 -2.608 1
1 547 . 13 1 1 A 46 46 LEU C C 46 176.176 175.309 0.867 1
1 548 . 13 1 1 A 46 46 LEU H H 46 9.137 9.104 0.033 1
1 549 . 13 1 1 A 46 46 LEU HA H 46 4.189 5.232 -1.043 1
1 559 . 13 1 1 A 47 47 LEU N N 47 123.900 123.227 0.673 1
1 560 . 13 1 1 A 47 47 LEU CA C 47 52.926 52.422 0.504 1
1 561 . 13 1 1 A 47 47 LEU CB C 47 41.010 43.487 -2.477 1
1 565 . 13 1 1 A 47 47 LEU C C 47 175.800 177.294 -1.494 1
1 566 . 13 1 1 A 47 47 LEU H H 47 8.945 8.202 0.743 1
1 567 . 13 1 1 A 47 47 LEU HA H 47 4.185 4.607 -0.422 1
1 577 . 13 1 1 A 48 48 PRO CA C 48 62.992 65.037 -2.045 1
1 578 . 13 1 1 A 48 48 PRO CB C 48 24.080 31.990 -7.910 1
1 581 . 13 1 1 A 48 48 PRO C C 48 176.188 177.663 -1.475 1
1 582 . 13 1 1 A 48 48 PRO HA H 48 4.474 4.277 0.197 1
1 588 . 13 1 1 A 49 49 ASP N N 49 113.800 116.384 -2.584 1
1 589 . 13 1 1 A 49 49 ASP CA C 49 55.199 56.885 -1.686 1
1 590 . 13 1 1 A 49 49 ASP CB C 49 40.158 41.407 -1.249 1
1 591 . 13 1 1 A 49 49 ASP C C 49 175.304 175.921 -0.617 1
1 592 . 13 1 1 A 49 49 ASP H H 49 8.467 9.457 -0.990 1
1 593 . 13 1 1 A 49 49 ASP HA H 49 4.576 4.443 0.133 1
1 596 . 13 1 1 A 50 50 LYS N N 50 120.081 118.645 1.436 1
1 597 . 13 1 1 A 50 50 LYS CA C 50 56.803 57.157 -0.354 1
1 598 . 13 1 1 A 50 50 LYS CB C 50 32.059 30.483 1.576 1
1 602 . 13 1 1 A 50 50 LYS H H 50 8.329 7.967 0.362 1
1 603 . 13 1 1 A 50 50 LYS HA H 50 3.949 3.911 0.038 1
1 604 . 13 1 1 A 50 50 LYS C C 50 175.754 176.469 -0.715 1
1 613 . 13 1 1 A 51 51 LYS N N 51 117.896 117.559 0.337 1
1 614 . 13 1 1 A 51 51 LYS CA C 51 57.360 55.963 1.397 1
1 615 . 13 1 1 A 51 51 LYS CB C 51 32.230 32.410 -0.180 1
1 619 . 13 1 1 A 51 51 LYS H H 51 8.099 7.936 0.163 1
1 620 . 13 1 1 A 51 51 LYS HA H 51 3.950 4.423 -0.473 1
1 621 . 13 1 1 A 51 51 LYS C C 51 176.619 175.092 1.527 1
1 630 . 13 1 1 A 52 52 LYS N N 52 120.200 118.288 1.912 1
1 631 . 13 1 1 A 52 52 LYS CA C 52 54.688 55.001 -0.313 1
1 632 . 13 1 1 A 52 52 LYS CB C 52 31.829 33.708 -1.879 1
1 636 . 13 1 1 A 52 52 LYS H H 52 7.447 7.513 -0.066 1
1 637 . 13 1 1 A 52 52 LYS HA H 52 4.259 4.560 -0.301 1
1 638 . 13 1 1 A 52 52 LYS C C 52 173.420 174.434 -1.014 1
1 647 . 13 1 1 A 53 53 LYS N N 53 123.119 126.298 -3.179 1
1 648 . 13 1 1 A 53 53 LYS CA C 53 53.698 55.236 -1.538 1
1 649 . 13 1 1 A 53 53 LYS CB C 53 41.592 33.151 8.441 1
1 653 . 13 1 1 A 53 53 LYS H H 53 7.810 8.862 -1.052 1
1 654 . 13 1 1 A 53 53 LYS HA H 53 5.004 4.320 0.684 1
1 655 . 13 1 1 A 53 53 LYS C C 53 174.468 174.973 -0.505 1
1 664 . 13 1 1 A 54 54 PHE N N 54 120.200 127.772 -7.572 1
1 665 . 13 1 1 A 54 54 PHE CA C 54 56.583 56.658 -0.075 1
1 666 . 13 1 1 A 54 54 PHE CB C 54 42.110 42.390 -0.280 1
1 667 . 13 1 1 A 54 54 PHE C C 54 173.801 174.165 -0.364 1
1 668 . 13 1 1 A 54 54 PHE H H 54 8.490 8.047 0.443 1
1 669 . 13 1 1 A 54 54 PHE HA H 54 4.680 5.112 -0.432 1
1 672 . 13 1 1 A 55 55 GLU N N 55 117.600 125.701 -8.101 1
1 673 . 13 1 1 A 55 55 GLU CA C 55 53.537 55.388 -1.851 1
1 674 . 13 1 1 A 55 55 GLU CB C 55 33.241 32.863 0.378 1
1 676 . 13 1 1 A 55 55 GLU C C 55 176.694 174.601 2.093 1
1 677 . 13 1 1 A 55 55 GLU H H 55 8.309 7.047 1.262 1
1 678 . 13 1 1 A 55 55 GLU HA H 55 5.690 4.403 1.287 1
1 683 . 13 1 1 A 56 56 THR N N 56 111.700 120.202 -8.502 1
1 684 . 13 1 1 A 56 56 THR CA C 56 60.989 60.610 0.379 1
1 685 . 13 1 1 A 56 56 THR CB C 56 71.860 70.160 1.700 1
1 687 . 13 1 1 A 56 56 THR C C 56 174.385 174.545 -0.160 1
1 688 . 13 1 1 A 56 56 THR H H 56 8.775 7.282 1.493 1
1 689 . 13 1 1 A 56 56 THR HA H 56 4.838 4.197 0.641 1
1 692 . 13 1 1 A 57 57 LYS N N 57 119.500 122.251 -2.751 1
1 693 . 13 1 1 A 57 57 LYS CA C 57 56.775 56.283 0.492 1
1 694 . 13 1 1 A 57 57 LYS CB C 57 32.743 32.979 -0.236 1
1 698 . 13 1 1 A 57 57 LYS H H 57 9.787 8.033 1.754 1
1 699 . 13 1 1 A 57 57 LYS HA H 57 4.151 4.234 -0.083 1
1 700 . 13 1 1 A 57 57 LYS C C 57 177.417 176.107 1.310 1
1 709 . 13 1 1 A 58 58 VAL N N 58 123.100 125.108 -2.008 1
1 710 . 13 1 1 A 58 58 VAL CA C 58 61.870 62.388 -0.518 1
1 711 . 13 1 1 A 58 58 VAL CB C 58 32.081 32.207 -0.126 1
1 714 . 13 1 1 A 58 58 VAL C C 58 176.850 174.041 2.809 1
1 715 . 13 1 1 A 58 58 VAL H H 58 8.120 8.115 0.005 1
1 716 . 13 1 1 A 58 58 VAL HA H 58 4.284 4.233 0.051 1
1 724 . 13 1 1 A 59 59 HIS N N 59 128.800 127.986 0.814 1
1 725 . 13 1 1 A 59 59 HIS CA C 59 54.311 54.714 -0.403 1
1 726 . 13 1 1 A 59 59 HIS CB C 59 30.426 29.552 0.874 1
1 727 . 13 1 1 A 59 59 HIS C C 59 172.101 175.126 -3.025 1
1 728 . 13 1 1 A 59 59 HIS H H 59 8.550 8.737 -0.187 1
1 729 . 13 1 1 A 59 59 HIS HA H 59 4.457 5.006 -0.549 1
1 732 . 13 1 1 A 60 60 ARG N N 60 118.700 123.728 -5.028 1
1 733 . 13 1 1 A 60 60 ARG CA C 60 55.702 56.425 -0.723 1
1 734 . 13 1 1 A 60 60 ARG CB C 60 30.713 30.207 0.506 1
1 737 . 13 1 1 A 60 60 ARG C C 60 176.252 176.016 0.236 1
1 738 . 13 1 1 A 60 60 ARG H H 60 8.211 8.601 -0.390 1
1 739 . 13 1 1 A 60 60 ARG HA H 60 4.389 4.904 -0.515 1
1 746 . 13 1 1 A 61 61 LYS N N 61 122.500 117.843 4.657 1
1 747 . 13 1 1 A 61 61 LYS CA C 61 55.977 57.085 -1.108 1
1 748 . 13 1 1 A 61 61 LYS CB C 61 29.711 29.550 0.161 1
1 752 . 13 1 1 A 61 61 LYS H H 61 9.608 9.106 0.502 1
1 753 . 13 1 1 A 61 61 LYS HA H 61 3.946 4.052 -0.106 1
1 754 . 13 1 1 A 61 61 LYS C C 61 175.083 175.014 0.069 1
1 763 . 13 1 1 A 62 62 THR N N 62 113.400 108.980 4.420 1
1 764 . 13 1 1 A 62 62 THR CA C 62 59.755 60.232 -0.477 1
1 765 . 13 1 1 A 62 62 THR CB C 62 63.417 71.949 -8.532 1
1 767 . 13 1 1 A 62 62 THR C C 62 170.120 174.779 -4.659 1
1 768 . 13 1 1 A 62 62 THR H H 62 8.470 7.860 0.610 1
1 769 . 13 1 1 A 62 62 THR HA H 62 4.703 4.868 -0.165 1
1 772 . 13 1 1 A 63 63 LEU N N 63 123.100 123.850 -0.750 1
1 773 . 13 1 1 A 63 63 LEU CA C 63 52.833 55.937 -3.104 1
1 774 . 13 1 1 A 63 63 LEU CB C 63 40.311 42.015 -1.704 1
1 778 . 13 1 1 A 63 63 LEU C C 63 175.135 176.563 -1.428 1
1 779 . 13 1 1 A 63 63 LEU H H 63 8.257 8.699 -0.442 1
1 780 . 13 1 1 A 63 63 LEU HA H 63 4.483 4.447 0.036 1
1 790 . 13 1 1 A 64 64 ASN N N 64 114.829 117.908 -3.079 1
1 792 . 13 1 1 A 64 64 ASN CA C 64 50.610 50.464 0.146 1
1 793 . 13 1 1 A 64 64 ASN CB C 64 40.550 38.930 1.620 1
1 794 . 13 1 1 A 64 64 ASN C C 64 171.500 173.323 -1.823 1
1 795 . 13 1 1 A 64 64 ASN H H 64 8.306 7.989 0.317 1
1 796 . 13 1 1 A 64 64 ASN HA H 64 5.450 5.091 0.359 1
1 801 . 13 1 1 A 65 65 PRO CA C 65 61.914 62.197 -0.283 1
1 802 . 13 1 1 A 65 65 PRO CB C 65 30.780 33.015 -2.235 1
1 805 . 13 1 1 A 65 65 PRO C C 65 173.852 175.907 -2.055 1
1 806 . 13 1 1 A 65 65 PRO HA H 65 3.970 4.668 -0.698 1
1 813 . 13 1 1 A 66 66 VAL N N 66 121.000 116.911 4.089 1
1 814 . 13 1 1 A 66 66 VAL CA C 66 61.782 59.728 2.054 1
1 815 . 13 1 1 A 66 66 VAL CB C 66 32.721 34.452 -1.731 1
1 818 . 13 1 1 A 66 66 VAL C C 66 175.152 175.726 -0.574 1
1 819 . 13 1 1 A 66 66 VAL H H 66 7.926 7.960 -0.034 1
1 820 . 13 1 1 A 66 66 VAL HA H 66 3.807 4.514 -0.707 1
1 828 . 13 1 1 A 67 67 PHE N N 67 123.400 124.861 -1.461 1
1 829 . 13 1 1 A 67 67 PHE CA C 67 59.262 60.687 -1.425 1
1 830 . 13 1 1 A 67 67 PHE CB C 67 39.849 39.241 0.608 1
1 831 . 13 1 1 A 67 67 PHE C C 67 175.748 176.048 -0.300 1
1 832 . 13 1 1 A 67 67 PHE H H 67 8.150 8.598 -0.448 1
1 833 . 13 1 1 A 67 67 PHE HA H 67 4.378 4.032 0.346 1
1 836 . 13 1 1 A 68 68 ASN N N 68 117.500 116.794 0.706 1
1 837 . 13 1 1 A 68 68 ASN CA C 68 53.983 53.979 0.004 1
1 838 . 13 1 1 A 68 68 ASN CB C 68 37.351 36.258 1.093 1
1 839 . 13 1 1 A 68 68 ASN C C 68 173.314 174.352 -1.038 1
1 840 . 13 1 1 A 68 68 ASN H H 68 8.920 8.604 0.316 1
1 841 . 13 1 1 A 68 68 ASN HA H 68 4.350 5.382 -1.032 1
1 847 . 13 1 1 A 69 69 GLU N N 69 116.000 119.144 -3.144 1
1 848 . 13 1 1 A 69 69 GLU CA C 69 55.742 54.994 0.748 1
1 849 . 13 1 1 A 69 69 GLU CB C 69 34.663 32.076 2.587 1
1 851 . 13 1 1 A 69 69 GLU C C 69 174.165 175.148 -0.983 1
1 852 . 13 1 1 A 69 69 GLU H H 69 7.931 7.900 0.031 1
1 853 . 13 1 1 A 69 69 GLU HA H 69 4.638 4.904 -0.266 1
1 858 . 13 1 1 A 70 70 GLN N N 70 121.500 125.968 -4.468 1
1 860 . 13 1 1 A 70 70 GLN CA C 70 53.807 55.419 -1.612 1
1 861 . 13 1 1 A 70 70 GLN CB C 70 31.750 29.007 2.743 1
1 863 . 13 1 1 A 70 70 GLN C C 70 173.068 174.964 -1.896 1
1 864 . 13 1 1 A 70 70 GLN H H 70 8.174 8.786 -0.612 1
1 865 . 13 1 1 A 70 70 GLN HA H 70 4.985 4.493 0.492 1
1 872 . 13 1 1 A 71 71 PHE N N 71 124.300 124.195 0.105 1
1 873 . 13 1 1 A 71 71 PHE CA C 71 55.249 55.496 -0.247 1
1 874 . 13 1 1 A 71 71 PHE CB C 71 42.133 39.757 2.376 1
1 875 . 13 1 1 A 71 71 PHE C C 71 173.570 174.582 -1.012 1
1 876 . 13 1 1 A 71 71 PHE H H 71 9.040 7.889 1.151 1
1 877 . 13 1 1 A 71 71 PHE HA H 71 4.528 4.325 0.203 1
1 880 . 13 1 1 A 72 72 THR N N 72 114.000 119.868 -5.868 1
1 881 . 13 1 1 A 72 72 THR CA C 72 59.491 63.546 -4.055 1
1 882 . 13 1 1 A 72 72 THR CB C 72 70.623 69.209 1.414 1
1 884 . 13 1 1 A 72 72 THR C C 72 172.834 173.667 -0.833 1
1 885 . 13 1 1 A 72 72 THR H H 72 7.763 8.569 -0.806 1
1 886 . 13 1 1 A 72 72 THR HA H 72 5.212 4.208 1.004 1
1 889 . 13 1 1 A 73 73 PHE N N 73 120.900 126.790 -5.890 1
1 890 . 13 1 1 A 73 73 PHE CA C 73 56.071 56.398 -0.327 1
1 891 . 13 1 1 A 73 73 PHE CB C 73 41.570 41.017 0.553 1
1 892 . 13 1 1 A 73 73 PHE C C 73 174.890 174.293 0.597 1
1 893 . 13 1 1 A 73 73 PHE H H 73 8.983 9.089 -0.106 1
1 894 . 13 1 1 A 73 73 PHE HA H 73 4.750 5.140 -0.390 1
1 897 . 13 1 1 A 74 74 LYS N N 74 127.500 127.516 -0.016 1
1 898 . 13 1 1 A 74 74 LYS CA C 74 56.186 55.620 0.566 1
1 899 . 13 1 1 A 74 74 LYS CB C 74 30.577 30.480 0.097 1
1 903 . 13 1 1 A 74 74 LYS C C 74 174.575 174.154 0.421 1
1 904 . 13 1 1 A 74 74 LYS H H 74 9.063 8.448 0.615 1
1 905 . 13 1 1 A 74 74 LYS HA H 74 4.690 4.373 0.317 1
1 914 . 13 1 1 A 75 75 VAL N N 75 126.600 123.408 3.192 1
1 915 . 13 1 1 A 75 75 VAL CA C 75 57.737 59.083 -1.346 1
1 916 . 13 1 1 A 75 75 VAL CB C 75 35.160 35.540 -0.380 1
1 919 . 13 1 1 A 75 75 VAL C C 75 171.500 173.807 -2.307 1
1 920 . 13 1 1 A 75 75 VAL H H 75 7.546 7.498 0.048 1
1 921 . 13 1 1 A 75 75 VAL HA H 75 4.650 4.551 0.099 1
1 929 . 13 1 1 A 76 76 PRO CA C 76 62.476 62.840 -0.364 1
1 930 . 13 1 1 A 76 76 PRO CB C 76 32.143 32.702 -0.559 1
1 933 . 13 1 1 A 76 76 PRO C C 76 176.991 177.402 -0.411 1
1 934 . 13 1 1 A 76 76 PRO HA H 76 4.329 5.010 -0.681 1
1 941 . 13 1 1 A 77 77 TYR N N 77 128.500 125.478 3.022 1
1 942 . 13 1 1 A 77 77 TYR CA C 77 61.772 60.667 1.105 1
1 943 . 13 1 1 A 77 77 TYR CB C 77 37.898 37.345 0.553 1
1 944 . 13 1 1 A 77 77 TYR C C 77 177.516 177.671 -0.155 1
1 945 . 13 1 1 A 77 77 TYR H H 77 8.626 9.375 -0.749 1
1 946 . 13 1 1 A 77 77 TYR HA H 77 3.403 4.215 -0.812 1
1 950 . 13 1 1 A 78 78 SER N N 78 110.600 116.102 -5.502 1
1 951 . 13 1 1 A 78 78 SER H H 78 8.509 7.865 0.644 1
1 952 . 13 1 1 A 78 78 SER CA C 78 60.064 61.282 -1.218 1
1 953 . 13 1 1 A 78 78 SER CB C 78 62.022 62.789 -0.767 1
1 954 . 13 1 1 A 78 78 SER C C 78 175.292 175.709 -0.417 1
1 955 . 13 1 1 A 78 78 SER HA H 78 3.940 3.710 0.230 1
1 958 . 13 1 1 A 79 79 GLU N N 79 119.000 120.764 -1.764 1
1 959 . 13 1 1 A 79 79 GLU CA C 79 55.273 56.259 -0.986 1
1 960 . 13 1 1 A 79 79 GLU CB C 79 30.302 30.338 -0.036 1
1 962 . 13 1 1 A 79 79 GLU C C 79 177.218 178.885 -1.667 1
1 963 . 13 1 1 A 79 79 GLU H H 79 7.411 7.743 -0.332 1
1 964 . 13 1 1 A 79 79 GLU HA H 79 4.280 4.286 -0.006 1
1 969 . 13 1 1 A 80 80 LEU N N 80 121.600 122.467 -0.867 1
1 970 . 13 1 1 A 80 80 LEU CA C 80 57.376 57.944 -0.568 1
1 971 . 13 1 1 A 80 80 LEU CB C 80 41.916 41.882 0.034 1
1 975 . 13 1 1 A 80 80 LEU C C 80 177.098 178.477 -1.379 1
1 976 . 13 1 1 A 80 80 LEU H H 80 7.311 8.264 -0.953 1
1 977 . 13 1 1 A 80 80 LEU HA H 80 3.643 4.110 -0.467 1
1 987 . 13 1 1 A 81 81 GLY N N 81 102.900 106.927 -4.027 1
1 988 . 13 1 1 A 81 81 GLY CA C 81 46.638 47.308 -0.670 1
1 989 . 13 1 1 A 81 81 GLY C C 81 174.240 176.569 -2.329 1
1 990 . 13 1 1 A 81 81 GLY H H 81 7.860 7.866 -0.006 1
1 991 . 13 1 1 A 81 81 GLY HA3 H 81 3.744 3.761 -0.017 1
1 992 . 13 1 1 A 81 81 GLY HA2 H 81 3.434 3.742 -0.308 1
1 993 . 13 1 1 A 82 82 GLY N N 82 105.900 108.841 -2.941 1
1 994 . 13 1 1 A 82 82 GLY CA C 82 44.289 47.056 -2.767 1
1 995 . 13 1 1 A 82 82 GLY C C 82 174.591 174.632 -0.041 1
1 996 . 13 1 1 A 82 82 GLY H H 82 7.396 7.783 -0.387 1
1 997 . 13 1 1 A 82 82 GLY HA3 H 82 4.267 3.879 0.388 1
1 998 . 13 1 1 A 82 82 GLY HA2 H 82 3.760 3.876 -0.116 1
1 999 . 13 1 1 A 83 83 LYS N N 83 119.000 118.574 0.426 1
1 1000 . 13 1 1 A 83 83 LYS CA C 83 53.818 54.817 -0.999 1
1 1001 . 13 1 1 A 83 83 LYS CB C 83 33.814 33.879 -0.065 1
1 1005 . 13 1 1 A 83 83 LYS H H 83 7.888 7.474 0.414 1
1 1006 . 13 1 1 A 83 83 LYS HA H 83 4.366 4.756 -0.390 1
1 1007 . 13 1 1 A 83 83 LYS C C 83 176.518 175.732 0.786 1
1 1015 . 13 1 1 A 84 84 THR N N 84 118.500 116.596 1.904 1
1 1016 . 13 1 1 A 84 84 THR CA C 84 61.914 60.370 1.544 1
1 1017 . 13 1 1 A 84 84 THR CB C 84 71.340 71.104 0.236 1
1 1019 . 13 1 1 A 84 84 THR C C 84 171.750 173.777 -2.027 1
1 1020 . 13 1 1 A 84 84 THR H H 84 8.248 8.800 -0.552 1
1 1021 . 13 1 1 A 84 84 THR HA H 84 4.638 4.916 -0.278 1
1 1024 . 13 1 1 A 85 85 LEU N N 85 130.500 126.047 4.453 1
1 1025 . 13 1 1 A 85 85 LEU CA C 85 53.982 53.437 0.545 1
1 1026 . 13 1 1 A 85 85 LEU CB C 85 43.826 43.460 0.366 1
1 1030 . 13 1 1 A 85 85 LEU C C 85 173.417 176.460 -3.043 1
1 1031 . 13 1 1 A 85 85 LEU H H 85 8.430 9.151 -0.721 1
1 1032 . 13 1 1 A 85 85 LEU HA H 85 4.417 5.137 -0.720 1
1 1042 . 13 1 1 A 86 86 VAL N N 86 127.723 117.677 10.046 1
1 1043 . 13 1 1 A 86 86 VAL CA C 86 61.206 59.358 1.848 1
1 1044 . 13 1 1 A 86 86 VAL CB C 86 31.856 35.128 -3.272 1
1 1047 . 13 1 1 A 86 86 VAL C C 86 173.599 174.505 -0.906 1
1 1048 . 13 1 1 A 86 86 VAL H H 86 8.771 8.952 -0.181 1
1 1049 . 13 1 1 A 86 86 VAL HA H 86 4.151 5.080 -0.929 1
1 1057 . 13 1 1 A 87 87 MET N N 87 122.600 122.214 0.386 1
1 1058 . 13 1 1 A 87 87 MET CA C 87 53.654 53.751 -0.097 1
1 1059 . 13 1 1 A 87 87 MET CB C 87 31.288 35.652 -4.364 1
1 1061 . 13 1 1 A 87 87 MET C C 87 172.749 175.303 -2.554 1
1 1062 . 13 1 1 A 87 87 MET H H 87 7.503 8.959 -1.456 1
1 1063 . 13 1 1 A 87 87 MET HA H 87 4.706 5.597 -0.891 1
1 1068 . 13 1 1 A 88 88 ALA N N 88 124.200 122.889 1.311 1
1 1069 . 13 1 1 A 88 88 ALA CA C 88 50.017 51.192 -1.175 1
1 1070 . 13 1 1 A 88 88 ALA CB C 88 23.107 21.583 1.524 1
1 1071 . 13 1 1 A 88 88 ALA C C 88 174.558 175.915 -1.357 1
1 1072 . 13 1 1 A 88 88 ALA H H 88 8.755 8.906 -0.151 1
1 1073 . 13 1 1 A 88 88 ALA HA H 88 4.948 5.544 -0.596 1
1 1077 . 13 1 1 A 89 89 VAL N N 89 122.900 123.559 -0.659 1
1 1078 . 13 1 1 A 89 89 VAL CA C 89 60.881 63.324 -2.443 1
1 1079 . 13 1 1 A 89 89 VAL CB C 89 31.541 31.669 -0.128 1
1 1082 . 13 1 1 A 89 89 VAL C C 89 173.707 174.824 -1.117 1
1 1083 . 13 1 1 A 89 89 VAL H H 89 8.813 8.925 -0.112 1
1 1084 . 13 1 1 A 89 89 VAL HA H 89 4.652 4.782 -0.130 1
1 1092 . 13 1 1 A 90 90 TYR N N 90 128.400 129.004 -0.604 1
1 1093 . 13 1 1 A 90 90 TYR CA C 90 56.230 56.277 -0.047 1
1 1094 . 13 1 1 A 90 90 TYR CB C 90 43.211 41.971 1.240 1
1 1095 . 13 1 1 A 90 90 TYR C C 90 173.024 173.589 -0.565 1
1 1096 . 13 1 1 A 90 90 TYR H H 90 9.067 9.787 -0.720 1
1 1097 . 13 1 1 A 90 90 TYR HA H 90 4.766 5.433 -0.667 1
1 1101 . 13 1 1 A 91 91 ASP N N 91 116.300 129.251 -12.951 1
1 1102 . 13 1 1 A 91 91 ASP CA C 91 51.800 52.636 -0.836 1
1 1103 . 13 1 1 A 91 91 ASP CB C 91 42.265 42.664 -0.399 1
1 1104 . 13 1 1 A 91 91 ASP C C 91 175.823 174.991 0.832 1
1 1105 . 13 1 1 A 91 91 ASP H H 91 8.700 8.737 -0.037 1
1 1106 . 13 1 1 A 91 91 ASP HA H 91 5.098 5.096 0.002 1
1 1109 . 13 1 1 A 92 92 PHE N N 92 128.100 127.645 0.455 1
1 1110 . 13 1 1 A 92 92 PHE CA C 92 58.830 56.616 2.214 1
1 1111 . 13 1 1 A 92 92 PHE CB C 92 31.850 38.715 -6.865 1
1 1112 . 13 1 1 A 92 92 PHE C C 92 173.437 175.468 -2.031 1
1 1113 . 13 1 1 A 92 92 PHE H H 92 9.540 8.688 0.852 1
1 1114 . 13 1 1 A 92 92 PHE HA H 92 4.480 4.455 0.025 1
1 1117 . 13 1 1 A 93 93 ASP N N 93 122.100 127.435 -5.335 1
1 1118 . 13 1 1 A 93 93 ASP CA C 93 53.701 53.755 -0.054 1
1 1119 . 13 1 1 A 93 93 ASP CB C 93 41.736 40.928 0.808 1
1 1120 . 13 1 1 A 93 93 ASP C C 93 175.548 174.931 0.617 1
1 1121 . 13 1 1 A 93 93 ASP H H 93 7.812 8.550 -0.738 1
1 1122 . 13 1 1 A 93 93 ASP HA H 93 4.480 4.769 -0.289 1
1 1125 . 13 1 1 A 94 94 ARG N N 94 121.500 114.802 6.698 1
1 1126 . 13 1 1 A 94 94 ARG CA C 94 56.142 57.747 -1.605 1
1 1127 . 13 1 1 A 94 94 ARG CB C 94 30.173 27.983 2.190 1
1 1129 . 13 1 1 A 94 94 ARG C C 94 175.795 175.031 0.764 1
1 1130 . 13 1 1 A 94 94 ARG H H 94 8.264 7.356 0.908 1
1 1131 . 13 1 1 A 94 94 ARG HA H 94 4.000 3.490 0.510 1
1 1138 . 13 1 1 A 95 95 PHE N N 95 118.600 119.934 -1.334 1
1 1139 . 13 1 1 A 95 95 PHE CA C 95 59.850 59.343 0.507 1
1 1140 . 13 1 1 A 95 95 PHE CB C 95 38.955 41.112 -2.157 1
1 1141 . 13 1 1 A 95 95 PHE C C 95 172.969 175.294 -2.325 1
1 1142 . 13 1 1 A 95 95 PHE H H 95 6.889 8.710 -1.821 1
1 1143 . 13 1 1 A 95 95 PHE HA H 95 4.373 4.815 -0.442 1
1 1146 . 13 1 1 A 96 96 SER N N 96 114.200 115.161 -0.961 1
1 1147 . 13 1 1 A 96 96 SER H H 96 8.027 7.486 0.541 1
1 1148 . 13 1 1 A 96 96 SER CA C 96 57.596 57.831 -0.235 1
1 1149 . 13 1 1 A 96 96 SER CB C 96 63.494 63.918 -0.424 1
1 1150 . 13 1 1 A 96 96 SER C C 96 174.149 174.091 0.058 1
1 1151 . 13 1 1 A 96 96 SER HA H 96 4.220 4.463 -0.243 1
1 1154 . 13 1 1 A 97 97 LYS N N 97 121.600 121.253 0.347 1
1 1155 . 13 1 1 A 97 97 LYS CA C 97 58.206 56.088 2.118 1
1 1156 . 13 1 1 A 97 97 LYS CB C 97 31.860 32.371 -0.511 1
1 1159 . 13 1 1 A 97 97 LYS H H 97 8.264 8.202 0.062 1
1 1160 . 13 1 1 A 97 97 LYS HA H 97 4.202 3.894 0.308 1
1 1161 . 13 1 1 A 97 97 LYS C C 97 175.599 175.680 -0.081 1
1 1170 . 13 1 1 A 98 98 HIS N N 98 119.000 122.394 -3.394 1
1 1171 . 13 1 1 A 98 98 HIS CA C 98 54.159 55.736 -1.577 1
1 1172 . 13 1 1 A 98 98 HIS CB C 98 30.040 29.942 0.098 1
1 1173 . 13 1 1 A 98 98 HIS C C 98 174.050 173.812 0.238 1
1 1174 . 13 1 1 A 98 98 HIS H H 98 8.350 7.797 0.553 1
1 1175 . 13 1 1 A 98 98 HIS HA H 98 4.784 4.555 0.229 1
1 1178 . 13 1 1 A 99 99 ASP N N 99 122.600 125.623 -3.023 1
1 1179 . 13 1 1 A 99 99 ASP CA C 99 53.806 53.366 0.440 1
1 1180 . 13 1 1 A 99 99 ASP CB C 99 41.074 42.625 -1.551 1
1 1181 . 13 1 1 A 99 99 ASP C C 99 174.346 175.794 -1.448 1
1 1182 . 13 1 1 A 99 99 ASP H H 99 8.812 8.822 -0.010 1
1 1183 . 13 1 1 A 99 99 ASP HA H 99 4.781 5.131 -0.350 1
1 1186 . 13 1 1 A 100 100 ILE N N 100 122.400 126.731 -4.331 1
1 1187 . 13 1 1 A 100 100 ILE CA C 100 60.989 62.049 -1.060 1
1 1188 . 13 1 1 A 100 100 ILE CB C 100 38.823 37.527 1.296 1
1 1192 . 13 1 1 A 100 100 ILE C C 100 174.431 177.424 -2.993 1
1 1193 . 13 1 1 A 100 100 ILE H H 100 8.075 8.987 -0.912 1
1 1194 . 13 1 1 A 100 100 ILE HA H 100 3.405 4.296 -0.891 1
1 1204 . 13 1 1 A 101 101 ILE N N 101 127.400 124.210 3.190 1
1 1205 . 13 1 1 A 101 101 ILE CA C 101 63.380 62.759 0.621 1
1 1206 . 13 1 1 A 101 101 ILE CB C 101 38.058 37.743 0.315 1
1 1210 . 13 1 1 A 101 101 ILE C C 101 175.859 176.593 -0.734 1
1 1211 . 13 1 1 A 101 101 ILE H H 101 9.219 8.676 0.543 1
1 1212 . 13 1 1 A 101 101 ILE HA H 101 3.869 4.241 -0.372 1
1 1219 . 13 1 1 A 102 102 GLY N N 102 101.500 108.984 -7.484 1
1 1220 . 13 1 1 A 102 102 GLY CA C 102 45.259 45.773 -0.514 1
1 1221 . 13 1 1 A 102 102 GLY C C 102 169.614 171.215 -1.601 1
1 1222 . 13 1 1 A 102 102 GLY H H 102 7.241 7.563 -0.322 1
1 1223 . 13 1 1 A 102 102 GLY HA3 H 102 4.024 4.179 -0.155 1
1 1224 . 13 1 1 A 102 102 GLY HA2 H 102 3.811 4.168 -0.357 1
1 1225 . 13 1 1 A 103 103 GLU N N 103 117.100 117.497 -0.397 1
1 1226 . 13 1 1 A 103 103 GLU CA C 103 54.229 55.505 -1.276 1
1 1227 . 13 1 1 A 103 103 GLU CB C 103 34.012 33.174 0.838 1
1 1229 . 13 1 1 A 103 103 GLU C C 103 173.993 174.781 -0.788 1
1 1230 . 13 1 1 A 103 103 GLU H H 103 9.499 9.038 0.461 1
1 1231 . 13 1 1 A 103 103 GLU HA H 103 5.513 5.126 0.387 1
1 1236 . 13 1 1 A 104 104 PHE N N 104 115.900 117.108 -1.208 1
1 1237 . 13 1 1 A 104 104 PHE CA C 104 58.037 56.935 1.102 1
1 1238 . 13 1 1 A 104 104 PHE CB C 104 41.030 41.432 -0.402 1
1 1239 . 13 1 1 A 104 104 PHE C C 104 171.749 173.344 -1.595 1
1 1240 . 13 1 1 A 104 104 PHE H H 104 8.525 8.767 -0.242 1
1 1241 . 13 1 1 A 104 104 PHE HA H 104 4.731 6.077 -1.346 1
1 1244 . 13 1 1 A 105 105 LYS N N 105 118.900 120.240 -1.340 1
1 1245 . 13 1 1 A 105 105 LYS CA C 105 53.771 55.279 -1.508 1
1 1246 . 13 1 1 A 105 105 LYS CB C 105 34.953 35.765 -0.812 1
1 1250 . 13 1 1 A 105 105 LYS H H 105 7.805 8.866 -1.061 1
1 1251 . 13 1 1 A 105 105 LYS HA H 105 5.188 5.310 -0.122 1
1 1252 . 13 1 1 A 105 105 LYS C C 105 175.389 174.803 0.586 1
1 1261 . 13 1 1 A 106 106 VAL N N 106 121.400 124.855 -3.455 1
1 1262 . 13 1 1 A 106 106 VAL CA C 106 58.522 59.313 -0.791 1
1 1263 . 13 1 1 A 106 106 VAL CB C 106 34.050 33.953 0.097 1
1 1266 . 13 1 1 A 106 106 VAL C C 106 173.300 173.782 -0.482 1
1 1267 . 13 1 1 A 106 106 VAL H H 106 9.276 9.501 -0.225 1
1 1268 . 13 1 1 A 106 106 VAL HA H 106 4.430 4.750 -0.320 1
1 1276 . 13 1 1 A 107 107 PRO CA C 107 62.265 62.442 -0.177 1
1 1277 . 13 1 1 A 107 107 PRO CB C 107 31.157 31.717 -0.560 1
1 1280 . 13 1 1 A 107 107 PRO C C 107 178.967 178.050 0.917 1
1 1281 . 13 1 1 A 107 107 PRO HA H 107 4.703 4.822 -0.119 1
1 1288 . 13 1 1 A 108 108 MET N N 108 126.300 124.070 2.230 1
1 1289 . 13 1 1 A 108 108 MET CA C 108 56.728 58.018 -1.290 1
1 1290 . 13 1 1 A 108 108 MET CB C 108 32.909 31.770 1.139 1
1 1292 . 13 1 1 A 108 108 MET C C 108 176.858 178.319 -1.461 1
1 1293 . 13 1 1 A 108 108 MET H H 108 8.716 8.387 0.329 1
1 1294 . 13 1 1 A 108 108 MET HA H 108 4.483 4.329 0.154 1
1 1299 . 13 1 1 A 109 109 ASN N N 109 115.600 116.986 -1.386 1
1 1300 . 13 1 1 A 109 109 ASN CA C 109 53.983 55.736 -1.753 1
1 1301 . 13 1 1 A 109 109 ASN CB C 109 36.227 37.614 -1.387 1
1 1302 . 13 1 1 A 109 109 ASN C C 109 175.789 176.983 -1.194 1
1 1303 . 13 1 1 A 109 109 ASN H H 109 8.342 8.610 -0.268 1
1 1304 . 13 1 1 A 109 109 ASN HA H 109 4.564 4.447 0.117 1
1 1310 . 13 1 1 A 110 110 THR N N 110 107.600 108.189 -0.589 1
1 1311 . 13 1 1 A 110 110 THR CA C 110 61.115 62.951 -1.836 1
1 1312 . 13 1 1 A 110 110 THR CB C 110 62.929 69.757 -6.828 1
1 1314 . 13 1 1 A 110 110 THR C C 110 173.508 174.814 -1.306 1
1 1315 . 13 1 1 A 110 110 THR H H 110 7.522 7.689 -0.167 1
1 1316 . 13 1 1 A 110 110 THR HA H 110 4.461 4.341 0.120 1
1 1319 . 13 1 1 A 111 111 VAL N N 111 123.700 123.655 0.045 1
1 1320 . 13 1 1 A 111 111 VAL CA C 111 61.782 61.652 0.130 1
1 1321 . 13 1 1 A 111 111 VAL CB C 111 32.821 32.082 0.739 1
1 1324 . 13 1 1 A 111 111 VAL C C 111 173.903 174.497 -0.594 1
1 1325 . 13 1 1 A 111 111 VAL H H 111 6.960 7.521 -0.561 1
1 1326 . 13 1 1 A 111 111 VAL HA H 111 3.703 4.097 -0.394 1
1 1334 . 13 1 1 A 112 112 ASP N N 112 125.800 128.316 -2.516 1
1 1335 . 13 1 1 A 112 112 ASP CA C 112 51.777 53.242 -1.465 1
1 1336 . 13 1 1 A 112 112 ASP CB C 112 40.648 41.431 -0.783 1
1 1337 . 13 1 1 A 112 112 ASP C C 112 175.407 175.220 0.187 1
1 1338 . 13 1 1 A 112 112 ASP H H 112 8.341 8.793 -0.452 1
1 1339 . 13 1 1 A 112 112 ASP HA H 112 4.719 4.920 -0.201 1
1 1342 . 13 1 1 A 113 113 PHE N N 113 122.700 122.829 -0.129 1
1 1343 . 13 1 1 A 113 113 PHE CA C 113 59.887 55.989 3.898 1
1 1344 . 13 1 1 A 113 113 PHE CB C 113 37.999 36.670 1.329 1
1 1345 . 13 1 1 A 113 113 PHE C C 113 175.854 176.472 -0.618 1
1 1346 . 13 1 1 A 113 113 PHE H H 113 8.391 8.836 -0.445 1
1 1347 . 13 1 1 A 113 113 PHE HA H 113 4.670 4.695 -0.025 1
1 1350 . 13 1 1 A 114 114 GLY N N 114 108.608 109.678 -1.070 1
1 1351 . 13 1 1 A 114 114 GLY CA C 114 45.657 47.101 -1.444 1
1 1352 . 13 1 1 A 114 114 GLY C C 114 172.963 175.698 -2.735 1
1 1353 . 13 1 1 A 114 114 GLY H H 114 8.953 8.614 0.339 1
1 1354 . 13 1 1 A 114 114 GLY HA3 H 114 4.018 3.552 0.466 1
1 1355 . 13 1 1 A 114 114 GLY HA2 H 114 3.912 3.507 0.405 1
1 1356 . 13 1 1 A 115 115 HIS N N 115 114.926 119.070 -4.144 1
1 1357 . 13 1 1 A 115 115 HIS CA C 115 53.533 55.953 -2.420 1
1 1358 . 13 1 1 A 115 115 HIS CB C 115 30.349 30.884 -0.535 1
1 1359 . 13 1 1 A 115 115 HIS C C 115 172.453 174.271 -1.818 1
1 1360 . 13 1 1 A 115 115 HIS H H 115 7.510 8.078 -0.568 1
1 1361 . 13 1 1 A 115 115 HIS HA H 115 4.868 4.967 -0.099 1
1 1364 . 13 1 1 A 116 116 VAL N N 116 122.100 119.900 2.200 1
1 1365 . 13 1 1 A 116 116 VAL CA C 116 62.992 59.528 3.464 1
1 1366 . 13 1 1 A 116 116 VAL CB C 116 31.850 34.375 -2.525 1
1 1369 . 13 1 1 A 116 116 VAL C C 116 176.352 173.589 2.763 1
1 1370 . 13 1 1 A 116 116 VAL H H 116 8.460 8.485 -0.025 1
1 1371 . 13 1 1 A 116 116 VAL HA H 116 4.268 5.451 -1.183 1
1 1379 . 13 1 1 A 117 117 THR N N 117 124.700 125.148 -0.448 1
1 1380 . 13 1 1 A 117 117 THR CA C 117 61.694 62.152 -0.458 1
1 1381 . 13 1 1 A 117 117 THR CB C 117 70.001 68.974 1.027 1
1 1383 . 13 1 1 A 117 117 THR C C 117 172.762 173.924 -1.162 1
1 1384 . 13 1 1 A 117 117 THR H H 117 8.550 9.553 -1.003 1
1 1385 . 13 1 1 A 117 117 THR HA H 117 4.460 4.671 -0.211 1
1 1388 . 13 1 1 A 118 118 GLU N N 118 126.000 126.190 -0.190 1
1 1389 . 13 1 1 A 118 118 GLU CA C 118 55.038 55.255 -0.217 1
1 1390 . 13 1 1 A 118 118 GLU CB C 118 30.835 31.165 -0.330 1
1 1392 . 13 1 1 A 118 118 GLU C C 118 174.419 175.400 -0.981 1
1 1393 . 13 1 1 A 118 118 GLU H H 118 8.382 8.723 -0.341 1
1 1394 . 13 1 1 A 118 118 GLU HA H 118 4.776 4.961 -0.185 1
1 1399 . 13 1 1 A 119 119 GLU N N 119 123.000 121.640 1.360 1
1 1400 . 13 1 1 A 119 119 GLU CA C 119 54.292 54.930 -0.638 1
1 1401 . 13 1 1 A 119 119 GLU CB C 119 32.909 32.706 0.203 1
1 1403 . 13 1 1 A 119 119 GLU C C 119 173.072 174.644 -1.572 1
1 1404 . 13 1 1 A 119 119 GLU H H 119 8.057 8.906 -0.849 1
1 1405 . 13 1 1 A 119 119 GLU HA H 119 4.631 4.520 0.111 1
1 1410 . 13 1 1 A 120 120 TRP N N 120 118.300 122.075 -3.775 1
1 1411 . 13 1 1 A 120 120 TRP C C 120 177.336 175.508 1.828 1
1 1412 . 13 1 1 A 120 120 TRP CA C 120 55.672 57.265 -1.593 1
1 1413 . 13 1 1 A 120 120 TRP CB C 120 31.259 29.317 1.942 1
1 1414 . 13 1 1 A 120 120 TRP H H 120 8.212 8.367 -0.155 1
1 1415 . 13 1 1 A 120 120 TRP HA H 120 5.322 5.019 0.303 1
1 1424 . 13 1 1 A 121 121 ARG N N 121 120.900 126.569 -5.669 1
1 1425 . 13 1 1 A 121 121 ARG CA C 121 53.631 53.724 -0.093 1
1 1426 . 13 1 1 A 121 121 ARG CB C 121 32.865 33.640 -0.775 1
1 1429 . 13 1 1 A 121 121 ARG C C 121 174.321 175.631 -1.310 1
1 1430 . 13 1 1 A 121 121 ARG H H 121 9.012 8.755 0.257 1
1 1431 . 13 1 1 A 121 121 ARG HA H 121 4.488 5.104 -0.616 1
1 1438 . 13 1 1 A 122 122 ASP N N 122 121.600 123.285 -1.685 1
1 1439 . 13 1 1 A 122 122 ASP CA C 122 53.795 53.355 0.440 1
1 1440 . 13 1 1 A 122 122 ASP CB C 122 40.544 42.077 -1.533 1
1 1441 . 13 1 1 A 122 122 ASP C C 122 176.041 175.825 0.216 1
1 1442 . 13 1 1 A 122 122 ASP H H 122 8.226 8.697 -0.471 1
1 1443 . 13 1 1 A 122 122 ASP HA H 122 4.791 5.255 -0.464 1
1 1446 . 13 1 1 A 123 123 LEU N N 123 120.700 124.781 -4.081 1
1 1447 . 13 1 1 A 123 123 LEU CA C 123 54.997 54.608 0.389 1
1 1448 . 13 1 1 A 123 123 LEU CB C 123 41.765 41.285 0.480 1
1 1452 . 13 1 1 A 123 123 LEU C C 123 175.964 176.273 -0.309 1
1 1453 . 13 1 1 A 123 123 LEU H H 123 8.436 8.464 -0.028 1
1 1454 . 13 1 1 A 123 123 LEU HA H 123 4.125 4.570 -0.445 1
1 1464 . 13 1 1 A 124 124 GLN N N 124 119.200 124.640 -5.440 1
1 1466 . 13 1 1 A 124 124 GLN CA C 124 53.278 54.169 -0.891 1
1 1467 . 13 1 1 A 124 124 GLN CB C 124 31.232 30.805 0.427 1
1 1469 . 13 1 1 A 124 124 GLN C C 124 175.183 175.953 -0.770 1
1 1470 . 13 1 1 A 124 124 GLN H H 124 9.020 8.661 0.359 1
1 1471 . 13 1 1 A 124 124 GLN HA H 124 4.738 4.739 -0.001 1
1 1478 . 13 1 1 A 125 125 SER N N 125 115.300 119.042 -3.742 1
1 1479 . 13 1 1 A 125 125 SER H H 125 8.543 8.767 -0.224 1
1 1480 . 13 1 1 A 125 125 SER CA C 125 58.477 60.247 -1.770 1
1 1481 . 13 1 1 A 125 125 SER CB C 125 63.274 63.222 0.052 1
1 1482 . 13 1 1 A 125 125 SER C C 125 174.609 174.417 0.192 1
1 1483 . 13 1 1 A 125 125 SER HA H 125 4.235 4.570 -0.335 1
1 1486 . 13 1 1 A 126 126 ALA N N 126 126.900 129.289 -2.389 1
1 1487 . 13 1 1 A 126 126 ALA CA C 126 51.636 50.545 1.091 1
1 1488 . 13 1 1 A 126 126 ALA CB C 126 19.845 20.929 -1.084 1
1 1489 . 13 1 1 A 126 126 ALA C C 126 176.876 176.466 0.410 1
1 1490 . 13 1 1 A 126 126 ALA H H 126 8.640 8.828 -0.188 1
1 1491 . 13 1 1 A 126 126 ALA HA H 126 4.216 5.196 -0.980 1
1 1495 . 13 1 1 A 127 127 GLU N N 127 120.600 122.304 -1.704 1
1 1496 . 13 1 1 A 127 127 GLU CA C 127 56.142 55.075 1.067 1
1 1497 . 13 1 1 A 127 127 GLU CB C 127 29.996 29.988 0.008 1
1 1499 . 13 1 1 A 127 127 GLU C C 127 175.129 174.538 0.591 1
1 1500 . 13 1 1 A 127 127 GLU H H 127 8.204 8.760 -0.556 1
1 1501 . 13 1 1 A 127 127 GLU HA H 127 4.176 4.758 -0.582 1
1 12 . 14 1 1 A 2 2 LYS N N 2 123.200 118.282 4.918 1
1 13 . 14 1 1 A 2 2 LYS CA C 2 55.550 55.408 0.142 1
1 14 . 14 1 1 A 2 2 LYS CB C 2 31.730 33.213 -1.483 1
1 18 . 14 1 1 A 2 2 LYS H H 2 8.320 8.883 -0.563 1
1 19 . 14 1 1 A 2 2 LYS C C 2 176.041 176.318 -0.277 1
1 20 . 14 1 1 A 2 2 LYS HA H 2 4.413 5.002 -0.589 1
1 29 . 14 1 1 A 3 3 LEU N N 3 124.700 124.678 0.022 1
1 30 . 14 1 1 A 3 3 LEU CA C 3 53.800 55.863 -2.063 1
1 31 . 14 1 1 A 3 3 LEU CB C 3 43.351 43.489 -0.138 1
1 35 . 14 1 1 A 3 3 LEU C C 3 173.289 176.669 -3.380 1
1 36 . 14 1 1 A 3 3 LEU H H 3 8.319 8.769 -0.450 1
1 37 . 14 1 1 A 3 3 LEU HA H 3 4.363 4.227 0.136 1
1 47 . 14 1 1 A 4 4 GLY N N 4 102.100 107.371 -5.271 1
1 48 . 14 1 1 A 4 4 GLY CA C 4 44.232 44.509 -0.277 1
1 49 . 14 1 1 A 4 4 GLY C C 4 174.476 173.016 1.460 1
1 50 . 14 1 1 A 4 4 GLY H H 4 7.412 7.875 -0.463 1
1 51 . 14 1 1 A 4 4 GLY HA3 H 4 4.367 4.068 0.299 1
1 52 . 14 1 1 A 4 4 GLY HA2 H 4 3.662 4.066 -0.404 1
1 53 . 14 1 1 A 5 5 LYS N N 5 114.993 120.673 -5.680 1
1 54 . 14 1 1 A 5 5 LYS CA C 5 54.807 54.703 0.104 1
1 55 . 14 1 1 A 5 5 LYS CB C 5 36.664 36.847 -0.183 1
1 59 . 14 1 1 A 5 5 LYS C C 5 173.762 174.774 -1.012 1
1 60 . 14 1 1 A 5 5 LYS H H 5 8.748 8.340 0.408 1
1 61 . 14 1 1 A 5 5 LYS HA H 5 5.333 5.308 0.025 1
1 70 . 14 1 1 A 6 6 LEU N N 6 122.195 124.349 -2.154 1
1 71 . 14 1 1 A 6 6 LEU CA C 6 53.760 53.751 0.009 1
1 72 . 14 1 1 A 6 6 LEU CB C 6 47.948 45.079 2.869 1
1 76 . 14 1 1 A 6 6 LEU C C 6 172.524 174.714 -2.190 1
1 77 . 14 1 1 A 6 6 LEU H H 6 9.058 9.703 -0.645 1
1 78 . 14 1 1 A 6 6 LEU HA H 6 5.312 6.086 -0.774 1
1 88 . 14 1 1 A 7 7 GLN N N 7 127.800 126.876 0.924 1
1 90 . 14 1 1 A 7 7 GLN CA C 7 52.595 55.165 -2.570 1
1 91 . 14 1 1 A 7 7 GLN CB C 7 28.032 29.688 -1.656 1
1 93 . 14 1 1 A 7 7 GLN C C 7 173.707 175.359 -1.652 1
1 94 . 14 1 1 A 7 7 GLN H H 7 8.945 8.402 0.543 1
1 95 . 14 1 1 A 7 7 GLN HA H 7 5.170 5.347 -0.177 1
1 102 . 14 1 1 A 8 8 TYR N N 8 125.700 122.874 2.826 1
1 103 . 14 1 1 A 8 8 TYR CA C 8 54.578 57.565 -2.987 1
1 104 . 14 1 1 A 8 8 TYR CB C 8 42.236 40.554 1.682 1
1 105 . 14 1 1 A 8 8 TYR C C 8 171.582 173.898 -2.316 1
1 106 . 14 1 1 A 8 8 TYR H H 8 8.445 8.502 -0.057 1
1 107 . 14 1 1 A 8 8 TYR HA H 8 5.401 4.975 0.426 1
1 110 . 14 1 1 A 9 9 SER N N 9 113.300 114.933 -1.633 1
1 111 . 14 1 1 A 9 9 SER H H 9 9.486 8.422 1.064 1
1 112 . 14 1 1 A 9 9 SER CA C 9 55.195 56.534 -1.339 1
1 113 . 14 1 1 A 9 9 SER CB C 9 67.116 65.077 2.039 1
1 114 . 14 1 1 A 9 9 SER C C 9 173.486 173.158 0.328 1
1 115 . 14 1 1 A 9 9 SER HA H 9 5.400 6.047 -0.647 1
1 118 . 14 1 1 A 10 10 LEU N N 10 120.700 126.981 -6.281 1
1 119 . 14 1 1 A 10 10 LEU CA C 10 53.388 53.518 -0.130 1
1 120 . 14 1 1 A 10 10 LEU CB C 10 46.946 44.331 2.615 1
1 121 . 14 1 1 A 10 10 LEU C C 10 174.640 175.187 -0.547 1
1 125 . 14 1 1 A 10 10 LEU H H 10 8.698 9.732 -1.034 1
1 126 . 14 1 1 A 10 10 LEU HA H 10 5.471 5.142 0.329 1
1 136 . 14 1 1 A 11 11 ASP N N 11 119.760 123.482 -3.722 1
1 137 . 14 1 1 A 11 11 ASP CA C 11 52.525 52.887 -0.362 1
1 138 . 14 1 1 A 11 11 ASP CB C 11 44.683 45.248 -0.565 1
1 139 . 14 1 1 A 11 11 ASP C C 11 173.093 173.895 -0.802 1
1 140 . 14 1 1 A 11 11 ASP H H 11 8.673 9.420 -0.747 1
1 141 . 14 1 1 A 11 11 ASP HA H 11 5.126 6.056 -0.930 1
1 144 . 14 1 1 A 12 12 TYR N N 12 124.200 121.481 2.719 1
1 145 . 14 1 1 A 12 12 TYR CA C 12 57.883 57.941 -0.058 1
1 146 . 14 1 1 A 12 12 TYR CB C 12 40.054 41.481 -1.427 1
1 147 . 14 1 1 A 12 12 TYR C C 12 171.962 172.873 -0.911 1
1 148 . 14 1 1 A 12 12 TYR H H 12 8.898 8.545 0.353 1
1 149 . 14 1 1 A 12 12 TYR HA H 12 4.609 5.207 -0.598 1
1 154 . 14 1 1 A 13 13 ASP N N 13 126.400 129.072 -2.672 1
1 155 . 14 1 1 A 13 13 ASP CA C 13 51.141 52.990 -1.849 1
1 156 . 14 1 1 A 13 13 ASP CB C 13 40.891 41.723 -0.832 1
1 157 . 14 1 1 A 13 13 ASP C C 13 175.599 176.520 -0.921 1
1 158 . 14 1 1 A 13 13 ASP H H 13 8.018 8.495 -0.477 1
1 159 . 14 1 1 A 13 13 ASP HA H 13 4.591 4.655 -0.064 1
1 162 . 14 1 1 A 14 14 PHE N N 14 123.575 123.924 -0.349 1
1 163 . 14 1 1 A 14 14 PHE CA C 14 60.734 58.376 2.358 1
1 164 . 14 1 1 A 14 14 PHE CB C 14 38.821 38.455 0.366 1
1 165 . 14 1 1 A 14 14 PHE C C 14 176.704 175.970 0.734 1
1 166 . 14 1 1 A 14 14 PHE H H 14 8.540 8.141 0.399 1
1 167 . 14 1 1 A 14 14 PHE HA H 14 4.187 3.862 0.325 1
1 170 . 14 1 1 A 15 15 GLN N N 15 118.500 116.931 1.569 1
1 172 . 14 1 1 A 15 15 GLN CA C 15 57.927 55.651 2.276 1
1 173 . 14 1 1 A 15 15 GLN CB C 15 28.129 27.673 0.456 1
1 175 . 14 1 1 A 15 15 GLN C C 15 176.646 176.517 0.129 1
1 176 . 14 1 1 A 15 15 GLN H H 15 8.307 7.053 1.254 1
1 177 . 14 1 1 A 15 15 GLN HA H 15 4.150 4.066 0.084 1
1 184 . 14 1 1 A 16 16 ASN N N 16 113.392 116.534 -3.142 1
1 185 . 14 1 1 A 16 16 ASN CA C 16 52.051 51.785 0.266 1
1 186 . 14 1 1 A 16 16 ASN CB C 16 39.238 37.942 1.296 1
1 187 . 14 1 1 A 16 16 ASN C C 16 173.191 175.505 -2.314 1
1 188 . 14 1 1 A 16 16 ASN H H 16 7.347 7.375 -0.028 1
1 189 . 14 1 1 A 16 16 ASN HA H 16 4.682 4.628 0.054 1
1 195 . 14 1 1 A 17 17 ASN N N 17 118.200 116.653 1.547 1
1 196 . 14 1 1 A 17 17 ASN CA C 17 54.524 54.110 0.414 1
1 197 . 14 1 1 A 17 17 ASN CB C 17 36.825 37.268 -0.443 1
1 198 . 14 1 1 A 17 17 ASN C C 17 175.797 174.176 1.621 1
1 199 . 14 1 1 A 17 17 ASN H H 17 7.682 7.965 -0.283 1
1 200 . 14 1 1 A 17 17 ASN HA H 17 4.300 4.547 -0.247 1
1 206 . 14 1 1 A 18 18 GLN N N 18 110.518 115.232 -4.714 1
1 208 . 14 1 1 A 18 18 GLN CA C 18 52.888 54.059 -1.171 1
1 209 . 14 1 1 A 18 18 GLN CB C 18 31.353 31.630 -0.277 1
1 211 . 14 1 1 A 18 18 GLN C C 18 171.717 174.286 -2.569 1
1 212 . 14 1 1 A 18 18 GLN H H 18 6.757 7.734 -0.977 1
1 213 . 14 1 1 A 18 18 GLN HA H 18 4.911 5.087 -0.176 1
1 220 . 14 1 1 A 19 19 LEU N N 19 124.400 124.554 -0.154 1
1 221 . 14 1 1 A 19 19 LEU CA C 19 53.873 54.465 -0.592 1
1 222 . 14 1 1 A 19 19 LEU CB C 19 44.558 42.811 1.747 1
1 226 . 14 1 1 A 19 19 LEU C C 19 173.731 175.956 -2.225 1
1 227 . 14 1 1 A 19 19 LEU H H 19 9.048 8.724 0.324 1
1 228 . 14 1 1 A 19 19 LEU HA H 19 4.543 4.935 -0.392 1
1 238 . 14 1 1 A 20 20 LEU N N 20 128.415 125.947 2.468 1
1 239 . 14 1 1 A 20 20 LEU CA C 20 53.695 53.665 0.030 1
1 240 . 14 1 1 A 20 20 LEU CB C 20 41.956 45.455 -3.499 1
1 244 . 14 1 1 A 20 20 LEU C C 20 175.696 174.721 0.975 1
1 245 . 14 1 1 A 20 20 LEU H H 20 9.021 9.440 -0.419 1
1 246 . 14 1 1 A 20 20 LEU HA H 20 4.852 5.303 -0.451 1
1 256 . 14 1 1 A 21 21 VAL N N 21 125.838 121.520 4.318 1
1 257 . 14 1 1 A 21 21 VAL CA C 21 60.511 60.589 -0.078 1
1 258 . 14 1 1 A 21 21 VAL CB C 21 45.331 33.019 12.312 1
1 260 . 14 1 1 A 21 21 VAL C C 21 173.979 173.967 0.012 1
1 261 . 14 1 1 A 21 21 VAL H H 21 9.073 9.129 -0.056 1
1 262 . 14 1 1 A 21 21 VAL HA H 21 4.853 4.817 0.036 1
1 270 . 14 1 1 A 22 22 GLY N N 22 117.254 113.911 3.343 1
1 271 . 14 1 1 A 22 22 GLY CA C 22 43.843 46.219 -2.376 1
1 272 . 14 1 1 A 22 22 GLY C C 22 172.485 173.863 -1.378 1
1 273 . 14 1 1 A 22 22 GLY H H 22 9.486 8.492 0.994 1
1 274 . 14 1 1 A 22 22 GLY HA3 H 22 4.653 3.998 0.655 1
1 275 . 14 1 1 A 22 22 GLY HA2 H 22 3.520 3.835 -0.315 1
1 276 . 14 1 1 A 23 23 ILE N N 23 125.106 125.268 -0.162 1
1 277 . 14 1 1 A 23 23 ILE CA C 23 58.182 60.409 -2.227 1
1 278 . 14 1 1 A 23 23 ILE CB C 23 35.290 38.904 -3.614 1
1 282 . 14 1 1 A 23 23 ILE C C 23 174.346 176.220 -1.874 1
1 283 . 14 1 1 A 23 23 ILE H H 23 8.831 8.480 0.351 1
1 284 . 14 1 1 A 23 23 ILE HA H 23 4.330 4.819 -0.489 1
1 294 . 14 1 1 A 24 24 ILE N N 24 126.735 122.248 4.487 1
1 295 . 14 1 1 A 24 24 ILE CA C 24 65.005 62.535 2.470 1
1 296 . 14 1 1 A 24 24 ILE CB C 24 37.790 38.144 -0.354 1
1 300 . 14 1 1 A 24 24 ILE C C 24 177.149 175.678 1.471 1
1 301 . 14 1 1 A 24 24 ILE H H 24 8.365 8.461 -0.096 1
1 302 . 14 1 1 A 24 24 ILE HA H 24 3.903 3.976 -0.073 1
1 312 . 14 1 1 A 25 25 GLN N N 25 110.662 114.231 -3.569 1
1 314 . 14 1 1 A 25 25 GLN CA C 25 54.295 53.956 0.339 1
1 315 . 14 1 1 A 25 25 GLN CB C 25 30.953 31.811 -0.858 1
1 317 . 14 1 1 A 25 25 GLN C C 25 171.152 173.069 -1.917 1
1 318 . 14 1 1 A 25 25 GLN H H 25 7.706 7.415 0.291 1
1 319 . 14 1 1 A 25 25 GLN HA H 25 5.123 3.549 1.574 1
1 325 . 14 1 1 A 26 26 ALA N N 26 121.300 122.968 -1.668 1
1 326 . 14 1 1 A 26 26 ALA CA C 26 49.951 50.173 -0.222 1
1 327 . 14 1 1 A 26 26 ALA CB C 26 22.406 22.550 -0.144 1
1 328 . 14 1 1 A 26 26 ALA C C 26 171.937 175.875 -3.938 1
1 329 . 14 1 1 A 26 26 ALA H H 26 9.195 8.524 0.671 1
1 330 . 14 1 1 A 26 26 ALA HA H 26 5.740 5.997 -0.257 1
1 334 . 14 1 1 A 27 27 ALA N N 27 120.100 122.008 -1.908 1
1 335 . 14 1 1 A 27 27 ALA CA C 27 50.524 50.702 -0.178 1
1 336 . 14 1 1 A 27 27 ALA CB C 27 24.047 21.552 2.495 1
1 337 . 14 1 1 A 27 27 ALA C C 27 174.984 176.840 -1.856 1
1 338 . 14 1 1 A 27 27 ALA H H 27 9.118 8.564 0.554 1
1 339 . 14 1 1 A 27 27 ALA HA H 27 5.353 4.798 0.555 1
1 343 . 14 1 1 A 28 28 GLU N N 28 112.600 119.233 -6.633 1
1 344 . 14 1 1 A 28 28 GLU CA C 28 56.032 57.404 -1.372 1
1 345 . 14 1 1 A 28 28 GLU CB C 28 25.966 27.578 -1.612 1
1 347 . 14 1 1 A 28 28 GLU C C 28 174.427 175.737 -1.310 1
1 348 . 14 1 1 A 28 28 GLU H H 28 8.453 8.681 -0.228 1
1 349 . 14 1 1 A 28 28 GLU HA H 28 3.648 3.827 -0.179 1
1 354 . 14 1 1 A 29 29 LEU N N 29 116.093 120.446 -4.353 1
1 355 . 14 1 1 A 29 29 LEU CA C 29 53.295 53.267 0.028 1
1 356 . 14 1 1 A 29 29 LEU CB C 29 39.640 41.163 -1.523 1
1 360 . 14 1 1 A 29 29 LEU C C 29 173.800 174.586 -0.786 1
1 361 . 14 1 1 A 29 29 LEU H H 29 7.951 8.060 -0.109 1
1 362 . 14 1 1 A 29 29 LEU HA H 29 4.330 4.801 -0.471 1
1 372 . 14 1 1 A 30 30 PRO CA C 30 61.760 62.625 -0.865 1
1 373 . 14 1 1 A 30 30 PRO CB C 30 31.492 31.897 -0.405 1
1 376 . 14 1 1 A 30 30 PRO C C 30 175.525 176.835 -1.310 1
1 377 . 14 1 1 A 30 30 PRO HA H 30 4.327 4.475 -0.148 1
1 383 . 14 1 1 A 31 31 ALA N N 31 122.487 124.347 -1.860 1
1 384 . 14 1 1 A 31 31 ALA CA C 31 50.604 52.706 -2.102 1
1 385 . 14 1 1 A 31 31 ALA CB C 31 18.576 19.280 -0.704 1
1 386 . 14 1 1 A 31 31 ALA C C 31 177.222 177.286 -0.064 1
1 387 . 14 1 1 A 31 31 ALA H H 31 8.128 8.290 -0.162 1
1 388 . 14 1 1 A 31 31 ALA HA H 31 4.130 4.443 -0.313 1
1 392 . 14 1 1 A 32 32 LEU N N 32 124.400 123.826 0.574 1
1 393 . 14 1 1 A 32 32 LEU CA C 32 55.041 53.669 1.372 1
1 394 . 14 1 1 A 32 32 LEU CB C 32 42.916 42.019 0.897 1
1 398 . 14 1 1 A 32 32 LEU C C 32 176.852 174.675 2.177 1
1 399 . 14 1 1 A 32 32 LEU H H 32 8.035 8.790 -0.755 1
1 400 . 14 1 1 A 32 32 LEU HA H 32 4.240 4.745 -0.505 1
1 410 . 14 1 1 A 33 33 ASP N N 33 119.800 120.811 -1.011 1
1 411 . 14 1 1 A 33 33 ASP CA C 33 52.948 53.264 -0.316 1
1 412 . 14 1 1 A 33 33 ASP CB C 33 41.578 44.941 -3.363 1
1 413 . 14 1 1 A 33 33 ASP C C 33 176.200 174.465 1.735 1
1 414 . 14 1 1 A 33 33 ASP H H 33 8.400 7.172 1.228 1
1 415 . 14 1 1 A 33 33 ASP HA H 33 4.785 5.151 -0.366 1
1 418 . 14 1 1 A 34 34 MET N N 34 120.000 121.142 -1.142 1
1 419 . 14 1 1 A 34 34 MET CA C 34 56.561 54.863 1.698 1
1 420 . 14 1 1 A 34 34 MET CB C 34 31.288 30.425 0.863 1
1 422 . 14 1 1 A 34 34 MET C C 34 176.483 176.173 0.310 1
1 423 . 14 1 1 A 34 34 MET H H 34 8.492 8.487 0.005 1
1 424 . 14 1 1 A 34 34 MET HA H 34 4.213 4.556 -0.343 1
1 429 . 14 1 1 A 35 35 GLY N N 35 110.400 108.726 1.674 1
1 430 . 14 1 1 A 35 35 GLY CA C 35 44.884 45.355 -0.471 1
1 431 . 14 1 1 A 35 35 GLY C C 35 174.831 175.123 -0.292 1
1 432 . 14 1 1 A 35 35 GLY H H 35 8.668 8.386 0.282 1
1 433 . 14 1 1 A 35 35 GLY HA3 H 35 4.039 4.106 -0.067 1
1 434 . 14 1 1 A 35 35 GLY HA2 H 35 3.818 4.098 -0.280 1
1 435 . 14 1 1 A 36 36 GLY N N 36 107.400 109.635 -2.235 1
1 436 . 14 1 1 A 36 36 GLY CA C 36 45.427 46.576 -1.149 1
1 437 . 14 1 1 A 36 36 GLY C C 36 173.194 173.602 -0.408 1
1 438 . 14 1 1 A 36 36 GLY H H 36 8.008 7.803 0.205 1
1 439 . 14 1 1 A 36 36 GLY HA3 H 36 4.000 3.951 0.049 1
1 440 . 14 1 1 A 36 36 GLY HA2 H 36 3.861 3.949 -0.088 1
1 441 . 14 1 1 A 37 37 THR N N 37 111.100 110.440 0.660 1
1 442 . 14 1 1 A 37 37 THR CA C 37 59.954 59.606 0.348 1
1 443 . 14 1 1 A 37 37 THR CB C 37 70.589 72.753 -2.164 1
1 445 . 14 1 1 A 37 37 THR C C 37 171.355 172.635 -1.280 1
1 446 . 14 1 1 A 37 37 THR H H 37 7.476 7.535 -0.059 1
1 447 . 14 1 1 A 37 37 THR HA H 37 4.511 5.050 -0.539 1
1 450 . 14 1 1 A 38 38 SER N N 38 115.811 114.778 1.033 1
1 451 . 14 1 1 A 38 38 SER CA C 38 57.664 56.475 1.189 1
1 452 . 14 1 1 A 38 38 SER CB C 38 70.510 66.171 4.339 1
1 453 . 14 1 1 A 38 38 SER C C 38 170.198 173.309 -3.111 1
1 454 . 14 1 1 A 38 38 SER H H 38 7.257 8.917 -1.660 1
1 455 . 14 1 1 A 38 38 SER HA H 38 4.707 5.180 -0.473 1
1 458 . 14 1 1 A 39 39 ASP N N 39 121.288 120.882 0.406 1
1 459 . 14 1 1 A 39 39 ASP CA C 39 51.058 51.766 -0.708 1
1 460 . 14 1 1 A 39 39 ASP CB C 39 42.210 42.084 0.126 1
1 461 . 14 1 1 A 39 39 ASP C C 39 172.500 173.594 -1.094 1
1 462 . 14 1 1 A 39 39 ASP H H 39 8.698 9.144 -0.446 1
1 463 . 14 1 1 A 39 39 ASP HA H 39 5.940 6.326 -0.386 1
1 466 . 14 1 1 A 40 40 PRO CA C 40 62.440 63.181 -0.741 1
1 467 . 14 1 1 A 40 40 PRO CB C 40 34.370 32.610 1.760 1
1 470 . 14 1 1 A 40 40 PRO C C 40 176.317 176.193 0.124 1
1 471 . 14 1 1 A 40 40 PRO HA H 40 5.826 4.666 1.160 1
1 478 . 14 1 1 A 41 41 TYR N N 41 113.769 118.676 -4.907 1
1 479 . 14 1 1 A 41 41 TYR CA C 41 56.150 56.889 -0.739 1
1 480 . 14 1 1 A 41 41 TYR CB C 41 40.246 41.210 -0.964 1
1 481 . 14 1 1 A 41 41 TYR C C 41 171.425 172.511 -1.086 1
1 482 . 14 1 1 A 41 41 TYR H H 41 8.703 8.747 -0.044 1
1 483 . 14 1 1 A 41 41 TYR HA H 41 4.795 5.116 -0.321 1
1 487 . 14 1 1 A 42 42 VAL N N 42 119.919 124.196 -4.277 1
1 488 . 14 1 1 A 42 42 VAL CA C 42 60.064 61.707 -1.643 1
1 489 . 14 1 1 A 42 42 VAL CB C 42 33.816 31.808 2.008 1
1 492 . 14 1 1 A 42 42 VAL C C 42 174.456 174.730 -0.274 1
1 493 . 14 1 1 A 42 42 VAL HA H 42 5.020 4.199 0.821 1
1 501 . 14 1 1 A 43 43 LYS N N 43 125.776 127.248 -1.472 1
1 502 . 14 1 1 A 43 43 LYS CA C 43 54.601 54.944 -0.343 1
1 503 . 14 1 1 A 43 43 LYS CB C 43 36.096 33.811 2.285 1
1 507 . 14 1 1 A 43 43 LYS C C 43 174.518 175.186 -0.668 1
1 508 . 14 1 1 A 43 43 LYS H H 43 9.415 9.168 0.247 1
1 509 . 14 1 1 A 43 43 LYS HA H 43 5.374 4.526 0.848 1
1 518 . 14 1 1 A 44 44 VAL N N 44 121.484 123.460 -1.976 1
1 519 . 14 1 1 A 44 44 VAL CA C 44 59.365 60.708 -1.343 1
1 520 . 14 1 1 A 44 44 VAL CB C 44 34.818 33.978 0.840 1
1 523 . 14 1 1 A 44 44 VAL C C 44 173.928 174.299 -0.371 1
1 524 . 14 1 1 A 44 44 VAL H H 44 8.845 8.235 0.610 1
1 525 . 14 1 1 A 44 44 VAL HA H 44 5.326 4.582 0.744 1
1 533 . 14 1 1 A 45 45 PHE N N 45 120.600 125.545 -4.945 1
1 534 . 14 1 1 A 45 45 PHE CA C 45 55.886 55.952 -0.066 1
1 535 . 14 1 1 A 45 45 PHE CB C 45 39.882 44.065 -4.183 1
1 536 . 14 1 1 A 45 45 PHE C C 45 171.102 174.419 -3.317 1
1 537 . 14 1 1 A 45 45 PHE H H 45 8.254 9.125 -0.871 1
1 538 . 14 1 1 A 45 45 PHE HA H 45 4.971 5.189 -0.218 1
1 541 . 14 1 1 A 46 46 LEU N N 46 121.444 121.049 0.395 1
1 542 . 14 1 1 A 46 46 LEU CA C 46 52.376 53.526 -1.150 1
1 543 . 14 1 1 A 46 46 LEU CB C 46 43.229 46.664 -3.435 1
1 547 . 14 1 1 A 46 46 LEU C C 46 176.176 174.689 1.487 1
1 548 . 14 1 1 A 46 46 LEU H H 46 9.137 8.847 0.290 1
1 549 . 14 1 1 A 46 46 LEU HA H 46 4.189 5.157 -0.968 1
1 559 . 14 1 1 A 47 47 LEU N N 47 123.900 124.649 -0.749 1
1 560 . 14 1 1 A 47 47 LEU CA C 47 52.926 52.944 -0.018 1
1 561 . 14 1 1 A 47 47 LEU CB C 47 41.010 41.268 -0.258 1
1 565 . 14 1 1 A 47 47 LEU C C 47 175.800 176.835 -1.035 1
1 566 . 14 1 1 A 47 47 LEU H H 47 8.945 8.882 0.063 1
1 567 . 14 1 1 A 47 47 LEU HA H 47 4.185 4.698 -0.513 1
1 577 . 14 1 1 A 48 48 PRO CA C 48 62.992 65.438 -2.446 1
1 578 . 14 1 1 A 48 48 PRO CB C 48 24.080 31.892 -7.812 1
1 581 . 14 1 1 A 48 48 PRO C C 48 176.188 177.804 -1.616 1
1 582 . 14 1 1 A 48 48 PRO HA H 48 4.474 4.262 0.212 1
1 588 . 14 1 1 A 49 49 ASP N N 49 113.800 115.996 -2.196 1
1 589 . 14 1 1 A 49 49 ASP CA C 49 55.199 56.926 -1.727 1
1 590 . 14 1 1 A 49 49 ASP CB C 49 40.158 42.109 -1.951 1
1 591 . 14 1 1 A 49 49 ASP C C 49 175.304 175.947 -0.643 1
1 592 . 14 1 1 A 49 49 ASP H H 49 8.467 8.724 -0.257 1
1 593 . 14 1 1 A 49 49 ASP HA H 49 4.576 4.579 -0.003 1
1 596 . 14 1 1 A 50 50 LYS N N 50 120.081 116.585 3.496 1
1 597 . 14 1 1 A 50 50 LYS CA C 50 56.803 57.078 -0.275 1
1 598 . 14 1 1 A 50 50 LYS CB C 50 32.059 30.315 1.744 1
1 602 . 14 1 1 A 50 50 LYS H H 50 8.329 7.880 0.449 1
1 603 . 14 1 1 A 50 50 LYS HA H 50 3.949 3.975 -0.026 1
1 604 . 14 1 1 A 50 50 LYS C C 50 175.754 175.810 -0.056 1
1 613 . 14 1 1 A 51 51 LYS N N 51 117.896 120.296 -2.400 1
1 614 . 14 1 1 A 51 51 LYS CA C 51 57.360 56.205 1.155 1
1 615 . 14 1 1 A 51 51 LYS CB C 51 32.230 31.595 0.635 1
1 619 . 14 1 1 A 51 51 LYS H H 51 8.099 8.174 -0.075 1
1 620 . 14 1 1 A 51 51 LYS HA H 51 3.950 4.364 -0.414 1
1 621 . 14 1 1 A 51 51 LYS C C 51 176.619 175.674 0.945 1
1 630 . 14 1 1 A 52 52 LYS N N 52 120.200 122.235 -2.035 1
1 631 . 14 1 1 A 52 52 LYS CA C 52 54.688 55.265 -0.577 1
1 632 . 14 1 1 A 52 52 LYS CB C 52 31.829 33.173 -1.344 1
1 636 . 14 1 1 A 52 52 LYS H H 52 7.447 7.686 -0.239 1
1 637 . 14 1 1 A 52 52 LYS HA H 52 4.259 4.726 -0.467 1
1 638 . 14 1 1 A 52 52 LYS C C 52 173.420 175.043 -1.623 1
1 647 . 14 1 1 A 53 53 LYS N N 53 123.119 125.672 -2.553 1
1 648 . 14 1 1 A 53 53 LYS CA C 53 53.698 56.767 -3.069 1
1 649 . 14 1 1 A 53 53 LYS CB C 53 41.592 32.562 9.030 1
1 653 . 14 1 1 A 53 53 LYS H H 53 7.810 8.439 -0.629 1
1 654 . 14 1 1 A 53 53 LYS HA H 53 5.004 5.115 -0.111 1
1 655 . 14 1 1 A 53 53 LYS C C 53 174.468 176.229 -1.761 1
1 664 . 14 1 1 A 54 54 PHE N N 54 120.200 126.854 -6.654 1
1 665 . 14 1 1 A 54 54 PHE CA C 54 56.583 57.631 -1.048 1
1 666 . 14 1 1 A 54 54 PHE CB C 54 42.110 40.789 1.321 1
1 667 . 14 1 1 A 54 54 PHE C C 54 173.801 174.793 -0.992 1
1 668 . 14 1 1 A 54 54 PHE H H 54 8.490 9.303 -0.813 1
1 669 . 14 1 1 A 54 54 PHE HA H 54 4.680 4.745 -0.065 1
1 672 . 14 1 1 A 55 55 GLU N N 55 117.600 120.671 -3.071 1
1 673 . 14 1 1 A 55 55 GLU CA C 55 53.537 54.546 -1.009 1
1 674 . 14 1 1 A 55 55 GLU CB C 55 33.241 33.323 -0.082 1
1 676 . 14 1 1 A 55 55 GLU C C 55 176.694 175.846 0.848 1
1 677 . 14 1 1 A 55 55 GLU H H 55 8.309 9.039 -0.730 1
1 678 . 14 1 1 A 55 55 GLU HA H 55 5.690 5.007 0.683 1
1 683 . 14 1 1 A 56 56 THR N N 56 111.700 116.755 -5.055 1
1 684 . 14 1 1 A 56 56 THR CA C 56 60.989 62.098 -1.109 1
1 685 . 14 1 1 A 56 56 THR CB C 56 71.860 69.832 2.028 1
1 687 . 14 1 1 A 56 56 THR C C 56 174.385 174.247 0.138 1
1 688 . 14 1 1 A 56 56 THR H H 56 8.775 8.736 0.039 1
1 689 . 14 1 1 A 56 56 THR HA H 56 4.838 5.610 -0.772 1
1 692 . 14 1 1 A 57 57 LYS N N 57 119.500 123.164 -3.664 1
1 693 . 14 1 1 A 57 57 LYS CA C 57 56.775 56.831 -0.056 1
1 694 . 14 1 1 A 57 57 LYS CB C 57 32.743 32.692 0.051 1
1 698 . 14 1 1 A 57 57 LYS H H 57 9.787 8.458 1.329 1
1 699 . 14 1 1 A 57 57 LYS HA H 57 4.151 4.192 -0.041 1
1 700 . 14 1 1 A 57 57 LYS C C 57 177.417 176.625 0.792 1
1 709 . 14 1 1 A 58 58 VAL N N 58 123.100 120.851 2.249 1
1 710 . 14 1 1 A 58 58 VAL CA C 58 61.870 61.587 0.283 1
1 711 . 14 1 1 A 58 58 VAL CB C 58 32.081 32.015 0.066 1
1 714 . 14 1 1 A 58 58 VAL C C 58 176.850 175.190 1.660 1
1 715 . 14 1 1 A 58 58 VAL H H 58 8.120 8.261 -0.141 1
1 716 . 14 1 1 A 58 58 VAL HA H 58 4.284 4.204 0.080 1
1 724 . 14 1 1 A 59 59 HIS N N 59 128.800 125.436 3.364 1
1 725 . 14 1 1 A 59 59 HIS CA C 59 54.311 55.038 -0.727 1
1 726 . 14 1 1 A 59 59 HIS CB C 59 30.426 28.983 1.443 1
1 727 . 14 1 1 A 59 59 HIS C C 59 172.101 175.091 -2.990 1
1 728 . 14 1 1 A 59 59 HIS H H 59 8.550 8.488 0.062 1
1 729 . 14 1 1 A 59 59 HIS HA H 59 4.457 4.941 -0.484 1
1 732 . 14 1 1 A 60 60 ARG N N 60 118.700 123.582 -4.882 1
1 733 . 14 1 1 A 60 60 ARG CA C 60 55.702 56.387 -0.685 1
1 734 . 14 1 1 A 60 60 ARG CB C 60 30.713 30.269 0.444 1
1 737 . 14 1 1 A 60 60 ARG C C 60 176.252 176.063 0.189 1
1 738 . 14 1 1 A 60 60 ARG H H 60 8.211 8.638 -0.427 1
1 739 . 14 1 1 A 60 60 ARG HA H 60 4.389 4.240 0.149 1
1 746 . 14 1 1 A 61 61 LYS N N 61 122.500 117.974 4.526 1
1 747 . 14 1 1 A 61 61 LYS CA C 61 55.977 57.165 -1.188 1
1 748 . 14 1 1 A 61 61 LYS CB C 61 29.711 29.509 0.202 1
1 752 . 14 1 1 A 61 61 LYS H H 61 9.608 9.100 0.508 1
1 753 . 14 1 1 A 61 61 LYS HA H 61 3.946 4.283 -0.337 1
1 754 . 14 1 1 A 61 61 LYS C C 61 175.083 174.903 0.180 1
1 763 . 14 1 1 A 62 62 THR N N 62 113.400 108.976 4.424 1
1 764 . 14 1 1 A 62 62 THR CA C 62 59.755 60.316 -0.561 1
1 765 . 14 1 1 A 62 62 THR CB C 62 63.417 71.832 -8.415 1
1 767 . 14 1 1 A 62 62 THR C C 62 170.120 174.142 -4.022 1
1 768 . 14 1 1 A 62 62 THR H H 62 8.470 7.589 0.881 1
1 769 . 14 1 1 A 62 62 THR HA H 62 4.703 4.910 -0.207 1
1 772 . 14 1 1 A 63 63 LEU N N 63 123.100 124.090 -0.990 1
1 773 . 14 1 1 A 63 63 LEU CA C 63 52.833 55.105 -2.272 1
1 774 . 14 1 1 A 63 63 LEU CB C 63 40.311 41.885 -1.574 1
1 778 . 14 1 1 A 63 63 LEU C C 63 175.135 176.611 -1.476 1
1 779 . 14 1 1 A 63 63 LEU H H 63 8.257 8.710 -0.453 1
1 780 . 14 1 1 A 63 63 LEU HA H 63 4.483 4.388 0.095 1
1 790 . 14 1 1 A 64 64 ASN N N 64 114.829 117.807 -2.978 1
1 792 . 14 1 1 A 64 64 ASN CA C 64 50.610 50.426 0.184 1
1 793 . 14 1 1 A 64 64 ASN CB C 64 40.550 38.923 1.627 1
1 794 . 14 1 1 A 64 64 ASN C C 64 171.500 173.089 -1.589 1
1 795 . 14 1 1 A 64 64 ASN H H 64 8.306 8.032 0.274 1
1 796 . 14 1 1 A 64 64 ASN HA H 64 5.450 5.193 0.257 1
1 801 . 14 1 1 A 65 65 PRO CA C 65 61.914 62.114 -0.200 1
1 802 . 14 1 1 A 65 65 PRO CB C 65 30.780 32.276 -1.496 1
1 805 . 14 1 1 A 65 65 PRO C C 65 173.852 176.147 -2.295 1
1 806 . 14 1 1 A 65 65 PRO HA H 65 3.970 4.663 -0.693 1
1 813 . 14 1 1 A 66 66 VAL N N 66 121.000 117.007 3.993 1
1 814 . 14 1 1 A 66 66 VAL CA C 66 61.782 59.873 1.909 1
1 815 . 14 1 1 A 66 66 VAL CB C 66 32.721 34.008 -1.287 1
1 818 . 14 1 1 A 66 66 VAL C C 66 175.152 175.327 -0.175 1
1 819 . 14 1 1 A 66 66 VAL H H 66 7.926 7.863 0.063 1
1 820 . 14 1 1 A 66 66 VAL HA H 66 3.807 4.353 -0.546 1
1 828 . 14 1 1 A 67 67 PHE N N 67 123.400 122.925 0.475 1
1 829 . 14 1 1 A 67 67 PHE CA C 67 59.262 60.481 -1.219 1
1 830 . 14 1 1 A 67 67 PHE CB C 67 39.849 39.353 0.496 1
1 831 . 14 1 1 A 67 67 PHE C C 67 175.748 176.024 -0.276 1
1 832 . 14 1 1 A 67 67 PHE H H 67 8.150 7.456 0.694 1
1 833 . 14 1 1 A 67 67 PHE HA H 67 4.378 4.726 -0.348 1
1 836 . 14 1 1 A 68 68 ASN N N 68 117.500 114.397 3.103 1
1 837 . 14 1 1 A 68 68 ASN CA C 68 53.983 54.267 -0.284 1
1 838 . 14 1 1 A 68 68 ASN CB C 68 37.351 36.781 0.570 1
1 839 . 14 1 1 A 68 68 ASN C C 68 173.314 174.108 -0.794 1
1 840 . 14 1 1 A 68 68 ASN H H 68 8.920 8.765 0.155 1
1 841 . 14 1 1 A 68 68 ASN HA H 68 4.350 4.809 -0.459 1
1 847 . 14 1 1 A 69 69 GLU N N 69 116.000 114.533 1.467 1
1 848 . 14 1 1 A 69 69 GLU CA C 69 55.742 55.175 0.567 1
1 849 . 14 1 1 A 69 69 GLU CB C 69 34.663 33.215 1.448 1
1 851 . 14 1 1 A 69 69 GLU C C 69 174.165 174.864 -0.699 1
1 852 . 14 1 1 A 69 69 GLU H H 69 7.931 7.866 0.065 1
1 853 . 14 1 1 A 69 69 GLU HA H 69 4.638 4.973 -0.335 1
1 858 . 14 1 1 A 70 70 GLN N N 70 121.500 121.809 -0.309 1
1 860 . 14 1 1 A 70 70 GLN CA C 70 53.807 55.880 -2.073 1
1 861 . 14 1 1 A 70 70 GLN CB C 70 31.750 28.774 2.976 1
1 863 . 14 1 1 A 70 70 GLN C C 70 173.068 175.376 -2.308 1
1 864 . 14 1 1 A 70 70 GLN H H 70 8.174 8.418 -0.244 1
1 865 . 14 1 1 A 70 70 GLN HA H 70 4.985 4.624 0.361 1
1 872 . 14 1 1 A 71 71 PHE N N 71 124.300 122.679 1.621 1
1 873 . 14 1 1 A 71 71 PHE CA C 71 55.249 57.094 -1.845 1
1 874 . 14 1 1 A 71 71 PHE CB C 71 42.133 38.293 3.840 1
1 875 . 14 1 1 A 71 71 PHE C C 71 173.570 175.120 -1.550 1
1 876 . 14 1 1 A 71 71 PHE H H 71 9.040 8.508 0.532 1
1 877 . 14 1 1 A 71 71 PHE HA H 71 4.528 4.871 -0.343 1
1 880 . 14 1 1 A 72 72 THR N N 72 114.000 118.153 -4.153 1
1 881 . 14 1 1 A 72 72 THR CA C 72 59.491 62.538 -3.047 1
1 882 . 14 1 1 A 72 72 THR CB C 72 70.623 68.948 1.675 1
1 884 . 14 1 1 A 72 72 THR C C 72 172.834 174.570 -1.736 1
1 885 . 14 1 1 A 72 72 THR H H 72 7.763 8.443 -0.680 1
1 886 . 14 1 1 A 72 72 THR HA H 72 5.212 4.026 1.186 1
1 889 . 14 1 1 A 73 73 PHE N N 73 120.900 122.017 -1.117 1
1 890 . 14 1 1 A 73 73 PHE CA C 73 56.071 55.825 0.246 1
1 891 . 14 1 1 A 73 73 PHE CB C 73 41.570 39.806 1.764 1
1 892 . 14 1 1 A 73 73 PHE C C 73 174.890 173.843 1.047 1
1 893 . 14 1 1 A 73 73 PHE H H 73 8.983 8.055 0.928 1
1 894 . 14 1 1 A 73 73 PHE HA H 73 4.750 5.261 -0.511 1
1 897 . 14 1 1 A 74 74 LYS N N 74 127.500 125.448 2.052 1
1 898 . 14 1 1 A 74 74 LYS CA C 74 56.186 55.402 0.784 1
1 899 . 14 1 1 A 74 74 LYS CB C 74 30.577 30.873 -0.296 1
1 903 . 14 1 1 A 74 74 LYS C C 74 174.575 175.291 -0.716 1
1 904 . 14 1 1 A 74 74 LYS H H 74 9.063 8.789 0.274 1
1 905 . 14 1 1 A 74 74 LYS HA H 74 4.690 4.700 -0.010 1
1 914 . 14 1 1 A 75 75 VAL N N 75 126.600 123.274 3.326 1
1 915 . 14 1 1 A 75 75 VAL CA C 75 57.737 58.488 -0.751 1
1 916 . 14 1 1 A 75 75 VAL CB C 75 35.160 35.301 -0.141 1
1 919 . 14 1 1 A 75 75 VAL C C 75 171.500 173.912 -2.412 1
1 920 . 14 1 1 A 75 75 VAL H H 75 7.546 8.115 -0.569 1
1 921 . 14 1 1 A 75 75 VAL HA H 75 4.650 4.637 0.013 1
1 929 . 14 1 1 A 76 76 PRO CA C 76 62.476 62.835 -0.359 1
1 930 . 14 1 1 A 76 76 PRO CB C 76 32.143 32.650 -0.507 1
1 933 . 14 1 1 A 76 76 PRO C C 76 176.991 177.071 -0.080 1
1 934 . 14 1 1 A 76 76 PRO HA H 76 4.329 4.689 -0.360 1
1 941 . 14 1 1 A 77 77 TYR N N 77 128.500 125.159 3.341 1
1 942 . 14 1 1 A 77 77 TYR CA C 77 61.772 60.355 1.417 1
1 943 . 14 1 1 A 77 77 TYR CB C 77 37.898 37.094 0.804 1
1 944 . 14 1 1 A 77 77 TYR C C 77 177.516 176.933 0.583 1
1 945 . 14 1 1 A 77 77 TYR H H 77 8.626 8.850 -0.224 1
1 946 . 14 1 1 A 77 77 TYR HA H 77 3.403 4.062 -0.659 1
1 950 . 14 1 1 A 78 78 SER N N 78 110.600 116.099 -5.499 1
1 951 . 14 1 1 A 78 78 SER H H 78 8.509 8.360 0.149 1
1 952 . 14 1 1 A 78 78 SER CA C 78 60.064 61.225 -1.161 1
1 953 . 14 1 1 A 78 78 SER CB C 78 62.022 62.198 -0.176 1
1 954 . 14 1 1 A 78 78 SER C C 78 175.292 176.262 -0.970 1
1 955 . 14 1 1 A 78 78 SER HA H 78 3.940 3.827 0.113 1
1 958 . 14 1 1 A 79 79 GLU N N 79 119.000 121.656 -2.656 1
1 959 . 14 1 1 A 79 79 GLU CA C 79 55.273 56.337 -1.064 1
1 960 . 14 1 1 A 79 79 GLU CB C 79 30.302 30.240 0.062 1
1 962 . 14 1 1 A 79 79 GLU C C 79 177.218 178.597 -1.379 1
1 963 . 14 1 1 A 79 79 GLU H H 79 7.411 7.791 -0.380 1
1 964 . 14 1 1 A 79 79 GLU HA H 79 4.280 4.246 0.034 1
1 969 . 14 1 1 A 80 80 LEU N N 80 121.600 122.657 -1.057 1
1 970 . 14 1 1 A 80 80 LEU CA C 80 57.376 57.886 -0.510 1
1 971 . 14 1 1 A 80 80 LEU CB C 80 41.916 41.836 0.080 1
1 975 . 14 1 1 A 80 80 LEU C C 80 177.098 178.202 -1.104 1
1 976 . 14 1 1 A 80 80 LEU H H 80 7.311 7.915 -0.604 1
1 977 . 14 1 1 A 80 80 LEU HA H 80 3.643 3.959 -0.316 1
1 987 . 14 1 1 A 81 81 GLY N N 81 102.900 106.404 -3.504 1
1 988 . 14 1 1 A 81 81 GLY CA C 81 46.638 47.103 -0.465 1
1 989 . 14 1 1 A 81 81 GLY C C 81 174.240 176.482 -2.242 1
1 990 . 14 1 1 A 81 81 GLY H H 81 7.860 8.251 -0.391 1
1 991 . 14 1 1 A 81 81 GLY HA3 H 81 3.744 3.656 0.088 1
1 992 . 14 1 1 A 81 81 GLY HA2 H 81 3.434 3.648 -0.214 1
1 993 . 14 1 1 A 82 82 GLY N N 82 105.900 108.798 -2.898 1
1 994 . 14 1 1 A 82 82 GLY CA C 82 44.289 46.922 -2.633 1
1 995 . 14 1 1 A 82 82 GLY C C 82 174.591 174.493 0.098 1
1 996 . 14 1 1 A 82 82 GLY H H 82 7.396 7.772 -0.376 1
1 997 . 14 1 1 A 82 82 GLY HA3 H 82 4.267 3.899 0.368 1
1 998 . 14 1 1 A 82 82 GLY HA2 H 82 3.760 3.896 -0.136 1
1 999 . 14 1 1 A 83 83 LYS N N 83 119.000 118.958 0.042 1
1 1000 . 14 1 1 A 83 83 LYS CA C 83 53.818 55.468 -1.650 1
1 1001 . 14 1 1 A 83 83 LYS CB C 83 33.814 33.998 -0.184 1
1 1005 . 14 1 1 A 83 83 LYS H H 83 7.888 8.161 -0.273 1
1 1006 . 14 1 1 A 83 83 LYS HA H 83 4.366 4.621 -0.255 1
1 1007 . 14 1 1 A 83 83 LYS C C 83 176.518 175.735 0.783 1
1 1015 . 14 1 1 A 84 84 THR N N 84 118.500 118.736 -0.236 1
1 1016 . 14 1 1 A 84 84 THR CA C 84 61.914 60.148 1.766 1
1 1017 . 14 1 1 A 84 84 THR CB C 84 71.340 70.833 0.507 1
1 1019 . 14 1 1 A 84 84 THR C C 84 171.750 173.551 -1.801 1
1 1020 . 14 1 1 A 84 84 THR H H 84 8.248 8.905 -0.657 1
1 1021 . 14 1 1 A 84 84 THR HA H 84 4.638 5.091 -0.453 1
1 1024 . 14 1 1 A 85 85 LEU N N 85 130.500 128.983 1.517 1
1 1025 . 14 1 1 A 85 85 LEU CA C 85 53.982 54.889 -0.907 1
1 1026 . 14 1 1 A 85 85 LEU CB C 85 43.826 42.470 1.356 1
1 1030 . 14 1 1 A 85 85 LEU C C 85 173.417 176.663 -3.246 1
1 1031 . 14 1 1 A 85 85 LEU H H 85 8.430 8.704 -0.274 1
1 1032 . 14 1 1 A 85 85 LEU HA H 85 4.417 4.569 -0.152 1
1 1042 . 14 1 1 A 86 86 VAL N N 86 127.723 119.644 8.079 1
1 1043 . 14 1 1 A 86 86 VAL CA C 86 61.206 59.945 1.261 1
1 1044 . 14 1 1 A 86 86 VAL CB C 86 31.856 34.567 -2.711 1
1 1047 . 14 1 1 A 86 86 VAL C C 86 173.599 174.288 -0.689 1
1 1048 . 14 1 1 A 86 86 VAL H H 86 8.771 8.996 -0.225 1
1 1049 . 14 1 1 A 86 86 VAL HA H 86 4.151 5.111 -0.960 1
1 1057 . 14 1 1 A 87 87 MET N N 87 122.600 125.327 -2.727 1
1 1058 . 14 1 1 A 87 87 MET CA C 87 53.654 54.145 -0.491 1
1 1059 . 14 1 1 A 87 87 MET CB C 87 31.288 35.974 -4.686 1
1 1061 . 14 1 1 A 87 87 MET C C 87 172.749 174.598 -1.849 1
1 1062 . 14 1 1 A 87 87 MET H H 87 7.503 9.560 -2.057 1
1 1063 . 14 1 1 A 87 87 MET HA H 87 4.706 5.138 -0.432 1
1 1068 . 14 1 1 A 88 88 ALA N N 88 124.200 126.163 -1.963 1
1 1069 . 14 1 1 A 88 88 ALA CA C 88 50.017 51.041 -1.024 1
1 1070 . 14 1 1 A 88 88 ALA CB C 88 23.107 21.522 1.585 1
1 1071 . 14 1 1 A 88 88 ALA C C 88 174.558 175.683 -1.125 1
1 1072 . 14 1 1 A 88 88 ALA H H 88 8.755 8.847 -0.092 1
1 1073 . 14 1 1 A 88 88 ALA HA H 88 4.948 5.136 -0.188 1
1 1077 . 14 1 1 A 89 89 VAL N N 89 122.900 123.346 -0.446 1
1 1078 . 14 1 1 A 89 89 VAL CA C 89 60.881 62.745 -1.864 1
1 1079 . 14 1 1 A 89 89 VAL CB C 89 31.541 31.519 0.022 1
1 1082 . 14 1 1 A 89 89 VAL C C 89 173.707 174.525 -0.818 1
1 1083 . 14 1 1 A 89 89 VAL H H 89 8.813 8.752 0.061 1
1 1084 . 14 1 1 A 89 89 VAL HA H 89 4.652 4.182 0.470 1
1 1092 . 14 1 1 A 90 90 TYR N N 90 128.400 128.528 -0.128 1
1 1093 . 14 1 1 A 90 90 TYR CA C 90 56.230 55.909 0.321 1
1 1094 . 14 1 1 A 90 90 TYR CB C 90 43.211 41.411 1.800 1
1 1095 . 14 1 1 A 90 90 TYR C C 90 173.024 173.362 -0.338 1
1 1096 . 14 1 1 A 90 90 TYR H H 90 9.067 9.463 -0.396 1
1 1097 . 14 1 1 A 90 90 TYR HA H 90 4.766 5.203 -0.437 1
1 1101 . 14 1 1 A 91 91 ASP N N 91 116.300 129.352 -13.052 1
1 1102 . 14 1 1 A 91 91 ASP CA C 91 51.800 52.767 -0.967 1
1 1103 . 14 1 1 A 91 91 ASP CB C 91 42.265 42.547 -0.282 1
1 1104 . 14 1 1 A 91 91 ASP C C 91 175.823 175.400 0.423 1
1 1105 . 14 1 1 A 91 91 ASP H H 91 8.700 8.596 0.104 1
1 1106 . 14 1 1 A 91 91 ASP HA H 91 5.098 5.194 -0.096 1
1 1109 . 14 1 1 A 92 92 PHE N N 92 128.100 128.000 0.100 1
1 1110 . 14 1 1 A 92 92 PHE CA C 92 58.830 56.923 1.907 1
1 1111 . 14 1 1 A 92 92 PHE CB C 92 31.850 38.945 -7.095 1
1 1112 . 14 1 1 A 92 92 PHE C C 92 173.437 175.646 -2.209 1
1 1113 . 14 1 1 A 92 92 PHE H H 92 9.540 9.328 0.212 1
1 1114 . 14 1 1 A 92 92 PHE HA H 92 4.480 4.912 -0.432 1
1 1117 . 14 1 1 A 93 93 ASP N N 93 122.100 127.506 -5.406 1
1 1118 . 14 1 1 A 93 93 ASP CA C 93 53.701 53.866 -0.165 1
1 1119 . 14 1 1 A 93 93 ASP CB C 93 41.736 41.032 0.704 1
1 1120 . 14 1 1 A 93 93 ASP C C 93 175.548 175.017 0.531 1
1 1121 . 14 1 1 A 93 93 ASP H H 93 7.812 8.823 -1.011 1
1 1122 . 14 1 1 A 93 93 ASP HA H 93 4.480 4.790 -0.310 1
1 1125 . 14 1 1 A 94 94 ARG N N 94 121.500 114.721 6.779 1
1 1126 . 14 1 1 A 94 94 ARG CA C 94 56.142 57.803 -1.661 1
1 1127 . 14 1 1 A 94 94 ARG CB C 94 30.173 28.043 2.130 1
1 1129 . 14 1 1 A 94 94 ARG C C 94 175.795 175.077 0.718 1
1 1130 . 14 1 1 A 94 94 ARG H H 94 8.264 7.492 0.772 1
1 1131 . 14 1 1 A 94 94 ARG HA H 94 4.000 3.487 0.513 1
1 1138 . 14 1 1 A 95 95 PHE N N 95 118.600 119.676 -1.076 1
1 1139 . 14 1 1 A 95 95 PHE CA C 95 59.850 59.370 0.480 1
1 1140 . 14 1 1 A 95 95 PHE CB C 95 38.955 41.128 -2.173 1
1 1141 . 14 1 1 A 95 95 PHE C C 95 172.969 174.929 -1.960 1
1 1142 . 14 1 1 A 95 95 PHE H H 95 6.889 8.584 -1.695 1
1 1143 . 14 1 1 A 95 95 PHE HA H 95 4.373 4.853 -0.480 1
1 1146 . 14 1 1 A 96 96 SER N N 96 114.200 111.384 2.816 1
1 1147 . 14 1 1 A 96 96 SER H H 96 8.027 7.778 0.249 1
1 1148 . 14 1 1 A 96 96 SER CA C 96 57.596 58.005 -0.409 1
1 1149 . 14 1 1 A 96 96 SER CB C 96 63.494 65.153 -1.659 1
1 1150 . 14 1 1 A 96 96 SER C C 96 174.149 173.953 0.196 1
1 1151 . 14 1 1 A 96 96 SER HA H 96 4.220 4.501 -0.281 1
1 1154 . 14 1 1 A 97 97 LYS N N 97 121.600 120.918 0.682 1
1 1155 . 14 1 1 A 97 97 LYS CA C 97 58.206 55.988 2.218 1
1 1156 . 14 1 1 A 97 97 LYS CB C 97 31.860 32.552 -0.692 1
1 1159 . 14 1 1 A 97 97 LYS H H 97 8.264 8.494 -0.230 1
1 1160 . 14 1 1 A 97 97 LYS HA H 97 4.202 4.036 0.166 1
1 1161 . 14 1 1 A 97 97 LYS C C 97 175.599 176.225 -0.626 1
1 1170 . 14 1 1 A 98 98 HIS N N 98 119.000 122.234 -3.234 1
1 1171 . 14 1 1 A 98 98 HIS CA C 98 54.159 55.961 -1.802 1
1 1172 . 14 1 1 A 98 98 HIS CB C 98 30.040 29.929 0.111 1
1 1173 . 14 1 1 A 98 98 HIS C C 98 174.050 173.685 0.365 1
1 1174 . 14 1 1 A 98 98 HIS H H 98 8.350 7.741 0.609 1
1 1175 . 14 1 1 A 98 98 HIS HA H 98 4.784 4.480 0.304 1
1 1178 . 14 1 1 A 99 99 ASP N N 99 122.600 125.203 -2.603 1
1 1179 . 14 1 1 A 99 99 ASP CA C 99 53.806 53.330 0.476 1
1 1180 . 14 1 1 A 99 99 ASP CB C 99 41.074 42.478 -1.404 1
1 1181 . 14 1 1 A 99 99 ASP C C 99 174.346 175.726 -1.380 1
1 1182 . 14 1 1 A 99 99 ASP H H 99 8.812 8.729 0.083 1
1 1183 . 14 1 1 A 99 99 ASP HA H 99 4.781 4.727 0.054 1
1 1186 . 14 1 1 A 100 100 ILE N N 100 122.400 126.141 -3.741 1
1 1187 . 14 1 1 A 100 100 ILE CA C 100 60.989 61.971 -0.982 1
1 1188 . 14 1 1 A 100 100 ILE CB C 100 38.823 37.546 1.277 1
1 1192 . 14 1 1 A 100 100 ILE C C 100 174.431 177.739 -3.308 1
1 1193 . 14 1 1 A 100 100 ILE H H 100 8.075 8.662 -0.587 1
1 1194 . 14 1 1 A 100 100 ILE HA H 100 3.405 3.847 -0.442 1
1 1204 . 14 1 1 A 101 101 ILE N N 101 127.400 123.925 3.475 1
1 1205 . 14 1 1 A 101 101 ILE CA C 101 63.380 63.041 0.339 1
1 1206 . 14 1 1 A 101 101 ILE CB C 101 38.058 38.239 -0.181 1
1 1210 . 14 1 1 A 101 101 ILE C C 101 175.859 176.373 -0.514 1
1 1211 . 14 1 1 A 101 101 ILE H H 101 9.219 8.386 0.833 1
1 1212 . 14 1 1 A 101 101 ILE HA H 101 3.869 4.014 -0.145 1
1 1219 . 14 1 1 A 102 102 GLY N N 102 101.500 109.546 -8.046 1
1 1220 . 14 1 1 A 102 102 GLY CA C 102 45.259 45.830 -0.571 1
1 1221 . 14 1 1 A 102 102 GLY C C 102 169.614 171.057 -1.443 1
1 1222 . 14 1 1 A 102 102 GLY H H 102 7.241 7.021 0.220 1
1 1223 . 14 1 1 A 102 102 GLY HA3 H 102 4.024 4.049 -0.025 1
1 1224 . 14 1 1 A 102 102 GLY HA2 H 102 3.811 4.040 -0.229 1
1 1225 . 14 1 1 A 103 103 GLU N N 103 117.100 117.169 -0.069 1
1 1226 . 14 1 1 A 103 103 GLU CA C 103 54.229 54.851 -0.622 1
1 1227 . 14 1 1 A 103 103 GLU CB C 103 34.012 34.063 -0.051 1
1 1229 . 14 1 1 A 103 103 GLU C C 103 173.993 173.951 0.042 1
1 1230 . 14 1 1 A 103 103 GLU H H 103 9.499 9.536 -0.037 1
1 1231 . 14 1 1 A 103 103 GLU HA H 103 5.513 5.566 -0.053 1
1 1236 . 14 1 1 A 104 104 PHE N N 104 115.900 121.584 -5.684 1
1 1237 . 14 1 1 A 104 104 PHE CA C 104 58.037 56.690 1.347 1
1 1238 . 14 1 1 A 104 104 PHE CB C 104 41.030 42.969 -1.939 1
1 1239 . 14 1 1 A 104 104 PHE C C 104 171.749 173.180 -1.431 1
1 1240 . 14 1 1 A 104 104 PHE H H 104 8.525 9.171 -0.646 1
1 1241 . 14 1 1 A 104 104 PHE HA H 104 4.731 5.293 -0.562 1
1 1244 . 14 1 1 A 105 105 LYS N N 105 118.900 127.176 -8.276 1
1 1245 . 14 1 1 A 105 105 LYS CA C 105 53.771 54.575 -0.804 1
1 1246 . 14 1 1 A 105 105 LYS CB C 105 34.953 35.282 -0.329 1
1 1250 . 14 1 1 A 105 105 LYS H H 105 7.805 8.583 -0.778 1
1 1251 . 14 1 1 A 105 105 LYS HA H 105 5.188 4.951 0.237 1
1 1252 . 14 1 1 A 105 105 LYS C C 105 175.389 174.738 0.651 1
1 1261 . 14 1 1 A 106 106 VAL N N 106 121.400 125.968 -4.568 1
1 1262 . 14 1 1 A 106 106 VAL CA C 106 58.522 58.999 -0.477 1
1 1263 . 14 1 1 A 106 106 VAL CB C 106 34.050 33.694 0.356 1
1 1266 . 14 1 1 A 106 106 VAL C C 106 173.300 173.428 -0.128 1
1 1267 . 14 1 1 A 106 106 VAL H H 106 9.276 8.505 0.771 1
1 1268 . 14 1 1 A 106 106 VAL HA H 106 4.430 4.498 -0.068 1
1 1276 . 14 1 1 A 107 107 PRO CA C 107 62.265 62.936 -0.671 1
1 1277 . 14 1 1 A 107 107 PRO CB C 107 31.157 32.755 -1.598 1
1 1280 . 14 1 1 A 107 107 PRO C C 107 178.967 177.640 1.327 1
1 1281 . 14 1 1 A 107 107 PRO HA H 107 4.703 4.561 0.142 1
1 1288 . 14 1 1 A 108 108 MET N N 108 126.300 123.157 3.143 1
1 1289 . 14 1 1 A 108 108 MET CA C 108 56.728 57.728 -1.000 1
1 1290 . 14 1 1 A 108 108 MET CB C 108 32.909 32.018 0.891 1
1 1292 . 14 1 1 A 108 108 MET C C 108 176.858 178.046 -1.188 1
1 1293 . 14 1 1 A 108 108 MET H H 108 8.716 8.661 0.055 1
1 1294 . 14 1 1 A 108 108 MET HA H 108 4.483 4.044 0.439 1
1 1299 . 14 1 1 A 109 109 ASN N N 109 115.600 118.752 -3.152 1
1 1300 . 14 1 1 A 109 109 ASN CA C 109 53.983 55.502 -1.519 1
1 1301 . 14 1 1 A 109 109 ASN CB C 109 36.227 38.207 -1.980 1
1 1302 . 14 1 1 A 109 109 ASN C C 109 175.789 176.936 -1.147 1
1 1303 . 14 1 1 A 109 109 ASN H H 109 8.342 8.326 0.016 1
1 1304 . 14 1 1 A 109 109 ASN HA H 109 4.564 4.547 0.017 1
1 1310 . 14 1 1 A 110 110 THR N N 110 107.600 109.779 -2.179 1
1 1311 . 14 1 1 A 110 110 THR CA C 110 61.115 61.568 -0.453 1
1 1312 . 14 1 1 A 110 110 THR CB C 110 62.929 68.733 -5.804 1
1 1314 . 14 1 1 A 110 110 THR C C 110 173.508 174.217 -0.709 1
1 1315 . 14 1 1 A 110 110 THR H H 110 7.522 7.732 -0.210 1
1 1316 . 14 1 1 A 110 110 THR HA H 110 4.461 4.403 0.058 1
1 1319 . 14 1 1 A 111 111 VAL N N 111 123.700 123.167 0.533 1
1 1320 . 14 1 1 A 111 111 VAL CA C 111 61.782 62.518 -0.736 1
1 1321 . 14 1 1 A 111 111 VAL CB C 111 32.821 32.900 -0.079 1
1 1324 . 14 1 1 A 111 111 VAL C C 111 173.903 175.553 -1.650 1
1 1325 . 14 1 1 A 111 111 VAL H H 111 6.960 7.202 -0.242 1
1 1326 . 14 1 1 A 111 111 VAL HA H 111 3.703 3.865 -0.162 1
1 1334 . 14 1 1 A 112 112 ASP N N 112 125.800 126.676 -0.876 1
1 1335 . 14 1 1 A 112 112 ASP CA C 112 51.777 54.291 -2.514 1
1 1336 . 14 1 1 A 112 112 ASP CB C 112 40.648 41.289 -0.641 1
1 1337 . 14 1 1 A 112 112 ASP C C 112 175.407 175.956 -0.549 1
1 1338 . 14 1 1 A 112 112 ASP H H 112 8.341 8.417 -0.076 1
1 1339 . 14 1 1 A 112 112 ASP HA H 112 4.719 4.337 0.382 1
1 1342 . 14 1 1 A 113 113 PHE N N 113 122.700 123.439 -0.739 1
1 1343 . 14 1 1 A 113 113 PHE CA C 113 59.887 57.617 2.270 1
1 1344 . 14 1 1 A 113 113 PHE CB C 113 37.999 37.917 0.082 1
1 1345 . 14 1 1 A 113 113 PHE C C 113 175.854 176.893 -1.039 1
1 1346 . 14 1 1 A 113 113 PHE H H 113 8.391 8.194 0.197 1
1 1347 . 14 1 1 A 113 113 PHE HA H 113 4.670 4.645 0.025 1
1 1350 . 14 1 1 A 114 114 GLY N N 114 108.608 111.582 -2.974 1
1 1351 . 14 1 1 A 114 114 GLY CA C 114 45.657 47.456 -1.799 1
1 1352 . 14 1 1 A 114 114 GLY C C 114 172.963 176.457 -3.494 1
1 1353 . 14 1 1 A 114 114 GLY H H 114 8.953 8.748 0.205 1
1 1354 . 14 1 1 A 114 114 GLY HA3 H 114 4.018 3.824 0.194 1
1 1355 . 14 1 1 A 114 114 GLY HA2 H 114 3.912 3.597 0.315 1
1 1356 . 14 1 1 A 115 115 HIS N N 115 114.926 119.612 -4.686 1
1 1357 . 14 1 1 A 115 115 HIS CA C 115 53.533 57.876 -4.343 1
1 1358 . 14 1 1 A 115 115 HIS CB C 115 30.349 30.317 0.032 1
1 1359 . 14 1 1 A 115 115 HIS C C 115 172.453 174.833 -2.380 1
1 1360 . 14 1 1 A 115 115 HIS H H 115 7.510 7.815 -0.305 1
1 1361 . 14 1 1 A 115 115 HIS HA H 115 4.868 4.585 0.283 1
1 1364 . 14 1 1 A 116 116 VAL N N 116 122.100 117.957 4.143 1
1 1365 . 14 1 1 A 116 116 VAL CA C 116 62.992 59.895 3.097 1
1 1366 . 14 1 1 A 116 116 VAL CB C 116 31.850 33.958 -2.108 1
1 1369 . 14 1 1 A 116 116 VAL C C 116 176.352 174.027 2.325 1
1 1370 . 14 1 1 A 116 116 VAL H H 116 8.460 8.213 0.247 1
1 1371 . 14 1 1 A 116 116 VAL HA H 116 4.268 4.902 -0.634 1
1 1379 . 14 1 1 A 117 117 THR N N 117 124.700 125.874 -1.174 1
1 1380 . 14 1 1 A 117 117 THR CA C 117 61.694 62.098 -0.404 1
1 1381 . 14 1 1 A 117 117 THR CB C 117 70.001 69.655 0.346 1
1 1383 . 14 1 1 A 117 117 THR C C 117 172.762 173.704 -0.942 1
1 1384 . 14 1 1 A 117 117 THR H H 117 8.550 9.522 -0.972 1
1 1385 . 14 1 1 A 117 117 THR HA H 117 4.460 4.754 -0.294 1
1 1388 . 14 1 1 A 118 118 GLU N N 118 126.000 124.481 1.519 1
1 1389 . 14 1 1 A 118 118 GLU CA C 118 55.038 54.974 0.064 1
1 1390 . 14 1 1 A 118 118 GLU CB C 118 30.835 31.415 -0.580 1
1 1392 . 14 1 1 A 118 118 GLU C C 118 174.419 174.659 -0.240 1
1 1393 . 14 1 1 A 118 118 GLU H H 118 8.382 8.878 -0.496 1
1 1394 . 14 1 1 A 118 118 GLU HA H 118 4.776 5.084 -0.308 1
1 1399 . 14 1 1 A 119 119 GLU N N 119 123.000 121.152 1.848 1
1 1400 . 14 1 1 A 119 119 GLU CA C 119 54.292 54.774 -0.482 1
1 1401 . 14 1 1 A 119 119 GLU CB C 119 32.909 32.795 0.114 1
1 1403 . 14 1 1 A 119 119 GLU C C 119 173.072 174.064 -0.992 1
1 1404 . 14 1 1 A 119 119 GLU H H 119 8.057 8.672 -0.615 1
1 1405 . 14 1 1 A 119 119 GLU HA H 119 4.631 4.329 0.302 1
1 1410 . 14 1 1 A 120 120 TRP N N 120 118.300 121.905 -3.605 1
1 1411 . 14 1 1 A 120 120 TRP C C 120 177.336 175.330 2.006 1
1 1412 . 14 1 1 A 120 120 TRP CA C 120 55.672 56.556 -0.884 1
1 1413 . 14 1 1 A 120 120 TRP CB C 120 31.259 29.735 1.524 1
1 1414 . 14 1 1 A 120 120 TRP H H 120 8.212 8.272 -0.060 1
1 1415 . 14 1 1 A 120 120 TRP HA H 120 5.322 5.226 0.096 1
1 1424 . 14 1 1 A 121 121 ARG N N 121 120.900 126.623 -5.723 1
1 1425 . 14 1 1 A 121 121 ARG CA C 121 53.631 53.973 -0.342 1
1 1426 . 14 1 1 A 121 121 ARG CB C 121 32.865 33.730 -0.865 1
1 1429 . 14 1 1 A 121 121 ARG C C 121 174.321 175.045 -0.724 1
1 1430 . 14 1 1 A 121 121 ARG H H 121 9.012 8.855 0.157 1
1 1431 . 14 1 1 A 121 121 ARG HA H 121 4.488 5.204 -0.716 1
1 1438 . 14 1 1 A 122 122 ASP N N 122 121.600 127.047 -5.447 1
1 1439 . 14 1 1 A 122 122 ASP CA C 122 53.795 53.715 0.080 1
1 1440 . 14 1 1 A 122 122 ASP CB C 122 40.544 42.654 -2.110 1
1 1441 . 14 1 1 A 122 122 ASP C C 122 176.041 175.404 0.637 1
1 1442 . 14 1 1 A 122 122 ASP H H 122 8.226 8.876 -0.650 1
1 1443 . 14 1 1 A 122 122 ASP HA H 122 4.791 5.137 -0.346 1
1 1446 . 14 1 1 A 123 123 LEU N N 123 120.700 126.741 -6.041 1
1 1447 . 14 1 1 A 123 123 LEU CA C 123 54.997 54.292 0.705 1
1 1448 . 14 1 1 A 123 123 LEU CB C 123 41.765 42.700 -0.935 1
1 1452 . 14 1 1 A 123 123 LEU C C 123 175.964 176.785 -0.821 1
1 1453 . 14 1 1 A 123 123 LEU H H 123 8.436 8.945 -0.509 1
1 1454 . 14 1 1 A 123 123 LEU HA H 123 4.125 5.075 -0.950 1
1 1464 . 14 1 1 A 124 124 GLN N N 124 119.200 124.544 -5.344 1
1 1466 . 14 1 1 A 124 124 GLN CA C 124 53.278 54.809 -1.531 1
1 1467 . 14 1 1 A 124 124 GLN CB C 124 31.232 30.464 0.768 1
1 1469 . 14 1 1 A 124 124 GLN C C 124 175.183 174.956 0.227 1
1 1470 . 14 1 1 A 124 124 GLN H H 124 9.020 8.925 0.095 1
1 1471 . 14 1 1 A 124 124 GLN HA H 124 4.738 4.964 -0.226 1
1 1478 . 14 1 1 A 125 125 SER N N 125 115.300 118.473 -3.173 1
1 1479 . 14 1 1 A 125 125 SER H H 125 8.543 8.927 -0.384 1
1 1480 . 14 1 1 A 125 125 SER CA C 125 58.477 58.320 0.157 1
1 1481 . 14 1 1 A 125 125 SER CB C 125 63.274 63.212 0.062 1
1 1482 . 14 1 1 A 125 125 SER C C 125 174.609 174.352 0.257 1
1 1483 . 14 1 1 A 125 125 SER HA H 125 4.235 4.796 -0.561 1
1 1486 . 14 1 1 A 126 126 ALA N N 126 126.900 129.671 -2.771 1
1 1487 . 14 1 1 A 126 126 ALA CA C 126 51.636 50.527 1.109 1
1 1488 . 14 1 1 A 126 126 ALA CB C 126 19.845 20.983 -1.138 1
1 1489 . 14 1 1 A 126 126 ALA C C 126 176.876 176.881 -0.005 1
1 1490 . 14 1 1 A 126 126 ALA H H 126 8.640 8.767 -0.127 1
1 1491 . 14 1 1 A 126 126 ALA HA H 126 4.216 5.118 -0.902 1
1 1495 . 14 1 1 A 127 127 GLU N N 127 120.600 121.798 -1.198 1
1 1496 . 14 1 1 A 127 127 GLU CA C 127 56.142 55.224 0.918 1
1 1497 . 14 1 1 A 127 127 GLU CB C 127 29.996 29.628 0.368 1
1 1499 . 14 1 1 A 127 127 GLU C C 127 175.129 175.257 -0.128 1
1 1500 . 14 1 1 A 127 127 GLU H H 127 8.204 8.696 -0.492 1
1 1501 . 14 1 1 A 127 127 GLU HA H 127 4.176 4.530 -0.354 1
1 12 . 15 1 1 A 2 2 LYS N N 2 123.200 117.520 5.680 1
1 13 . 15 1 1 A 2 2 LYS CA C 2 55.550 55.405 0.145 1
1 14 . 15 1 1 A 2 2 LYS CB C 2 31.730 33.725 -1.995 1
1 18 . 15 1 1 A 2 2 LYS H H 2 8.320 8.702 -0.382 1
1 19 . 15 1 1 A 2 2 LYS C C 2 176.041 175.935 0.106 1
1 20 . 15 1 1 A 2 2 LYS HA H 2 4.413 4.874 -0.461 1
1 29 . 15 1 1 A 3 3 LEU N N 3 124.700 124.171 0.529 1
1 30 . 15 1 1 A 3 3 LEU CA C 3 53.800 56.010 -2.210 1
1 31 . 15 1 1 A 3 3 LEU CB C 3 43.351 43.465 -0.114 1
1 35 . 15 1 1 A 3 3 LEU C C 3 173.289 176.669 -3.380 1
1 36 . 15 1 1 A 3 3 LEU H H 3 8.319 8.676 -0.357 1
1 37 . 15 1 1 A 3 3 LEU HA H 3 4.363 4.137 0.226 1
1 47 . 15 1 1 A 4 4 GLY N N 4 102.100 107.083 -4.983 1
1 48 . 15 1 1 A 4 4 GLY CA C 4 44.232 44.280 -0.048 1
1 49 . 15 1 1 A 4 4 GLY C C 4 174.476 172.980 1.496 1
1 50 . 15 1 1 A 4 4 GLY H H 4 7.412 7.817 -0.405 1
1 51 . 15 1 1 A 4 4 GLY HA3 H 4 4.367 4.056 0.311 1
1 52 . 15 1 1 A 4 4 GLY HA2 H 4 3.662 4.052 -0.390 1
1 53 . 15 1 1 A 5 5 LYS N N 5 114.993 120.659 -5.666 1
1 54 . 15 1 1 A 5 5 LYS CA C 5 54.807 54.537 0.270 1
1 55 . 15 1 1 A 5 5 LYS CB C 5 36.664 36.739 -0.075 1
1 59 . 15 1 1 A 5 5 LYS C C 5 173.762 175.051 -1.289 1
1 60 . 15 1 1 A 5 5 LYS H H 5 8.748 8.357 0.391 1
1 61 . 15 1 1 A 5 5 LYS HA H 5 5.333 5.184 0.149 1
1 70 . 15 1 1 A 6 6 LEU N N 6 122.195 121.421 0.774 1
1 71 . 15 1 1 A 6 6 LEU CA C 6 53.760 53.474 0.286 1
1 72 . 15 1 1 A 6 6 LEU CB C 6 47.948 44.422 3.526 1
1 76 . 15 1 1 A 6 6 LEU C C 6 172.524 174.963 -2.439 1
1 77 . 15 1 1 A 6 6 LEU H H 6 9.058 9.531 -0.473 1
1 78 . 15 1 1 A 6 6 LEU HA H 6 5.312 5.831 -0.519 1
1 88 . 15 1 1 A 7 7 GLN N N 7 127.800 126.947 0.853 1
1 90 . 15 1 1 A 7 7 GLN CA C 7 52.595 55.072 -2.477 1
1 91 . 15 1 1 A 7 7 GLN CB C 7 28.032 29.631 -1.599 1
1 93 . 15 1 1 A 7 7 GLN C C 7 173.707 175.424 -1.717 1
1 94 . 15 1 1 A 7 7 GLN H H 7 8.945 8.370 0.575 1
1 95 . 15 1 1 A 7 7 GLN HA H 7 5.170 5.239 -0.069 1
1 102 . 15 1 1 A 8 8 TYR N N 8 125.700 123.201 2.499 1
1 103 . 15 1 1 A 8 8 TYR CA C 8 54.578 57.500 -2.922 1
1 104 . 15 1 1 A 8 8 TYR CB C 8 42.236 40.443 1.793 1
1 105 . 15 1 1 A 8 8 TYR C C 8 171.582 173.916 -2.334 1
1 106 . 15 1 1 A 8 8 TYR H H 8 8.445 8.430 0.015 1
1 107 . 15 1 1 A 8 8 TYR HA H 8 5.401 4.943 0.458 1
1 110 . 15 1 1 A 9 9 SER N N 9 113.300 115.249 -1.949 1
1 111 . 15 1 1 A 9 9 SER H H 9 9.486 8.293 1.193 1
1 112 . 15 1 1 A 9 9 SER CA C 9 55.195 56.563 -1.368 1
1 113 . 15 1 1 A 9 9 SER CB C 9 67.116 65.174 1.942 1
1 114 . 15 1 1 A 9 9 SER C C 9 173.486 173.247 0.239 1
1 115 . 15 1 1 A 9 9 SER HA H 9 5.400 5.572 -0.172 1
1 118 . 15 1 1 A 10 10 LEU N N 10 120.700 127.208 -6.508 1
1 119 . 15 1 1 A 10 10 LEU CA C 10 53.388 53.374 0.014 1
1 120 . 15 1 1 A 10 10 LEU CB C 10 46.946 45.062 1.884 1
1 121 . 15 1 1 A 10 10 LEU C C 10 174.640 175.022 -0.382 1
1 125 . 15 1 1 A 10 10 LEU H H 10 8.698 9.653 -0.955 1
1 126 . 15 1 1 A 10 10 LEU HA H 10 5.471 5.538 -0.067 1
1 136 . 15 1 1 A 11 11 ASP N N 11 119.760 124.171 -4.411 1
1 137 . 15 1 1 A 11 11 ASP CA C 11 52.525 52.829 -0.304 1
1 138 . 15 1 1 A 11 11 ASP CB C 11 44.683 45.433 -0.750 1
1 139 . 15 1 1 A 11 11 ASP C C 11 173.093 173.907 -0.814 1
1 140 . 15 1 1 A 11 11 ASP H H 11 8.673 9.005 -0.332 1
1 141 . 15 1 1 A 11 11 ASP HA H 11 5.126 5.488 -0.362 1
1 144 . 15 1 1 A 12 12 TYR N N 12 124.200 117.528 6.672 1
1 145 . 15 1 1 A 12 12 TYR CA C 12 57.883 55.440 2.443 1
1 146 . 15 1 1 A 12 12 TYR CB C 12 40.054 41.479 -1.425 1
1 147 . 15 1 1 A 12 12 TYR C C 12 171.962 172.898 -0.936 1
1 148 . 15 1 1 A 12 12 TYR H H 12 8.898 8.781 0.117 1
1 149 . 15 1 1 A 12 12 TYR HA H 12 4.609 5.885 -1.276 1
1 154 . 15 1 1 A 13 13 ASP N N 13 126.400 124.760 1.640 1
1 155 . 15 1 1 A 13 13 ASP CA C 13 51.141 52.912 -1.771 1
1 156 . 15 1 1 A 13 13 ASP CB C 13 40.891 40.915 -0.024 1
1 157 . 15 1 1 A 13 13 ASP C C 13 175.599 176.625 -1.026 1
1 158 . 15 1 1 A 13 13 ASP H H 13 8.018 8.541 -0.523 1
1 159 . 15 1 1 A 13 13 ASP HA H 13 4.591 4.692 -0.101 1
1 162 . 15 1 1 A 14 14 PHE N N 14 123.575 124.850 -1.275 1
1 163 . 15 1 1 A 14 14 PHE CA C 14 60.734 58.571 2.163 1
1 164 . 15 1 1 A 14 14 PHE CB C 14 38.821 39.317 -0.496 1
1 165 . 15 1 1 A 14 14 PHE C C 14 176.704 176.112 0.592 1
1 166 . 15 1 1 A 14 14 PHE H H 14 8.540 8.049 0.491 1
1 167 . 15 1 1 A 14 14 PHE HA H 14 4.187 4.683 -0.496 1
1 170 . 15 1 1 A 15 15 GLN N N 15 118.500 117.152 1.348 1
1 172 . 15 1 1 A 15 15 GLN CA C 15 57.927 55.815 2.112 1
1 173 . 15 1 1 A 15 15 GLN CB C 15 28.129 27.737 0.392 1
1 175 . 15 1 1 A 15 15 GLN C C 15 176.646 176.646 0.000 1
1 176 . 15 1 1 A 15 15 GLN H H 15 8.307 7.621 0.686 1
1 177 . 15 1 1 A 15 15 GLN HA H 15 4.150 4.241 -0.091 1
1 184 . 15 1 1 A 16 16 ASN N N 16 113.392 116.752 -3.360 1
1 185 . 15 1 1 A 16 16 ASN CA C 16 52.051 51.892 0.159 1
1 186 . 15 1 1 A 16 16 ASN CB C 16 39.238 37.907 1.331 1
1 187 . 15 1 1 A 16 16 ASN C C 16 173.191 175.482 -2.291 1
1 188 . 15 1 1 A 16 16 ASN H H 16 7.347 7.921 -0.574 1
1 189 . 15 1 1 A 16 16 ASN HA H 16 4.682 4.699 -0.017 1
1 195 . 15 1 1 A 17 17 ASN N N 17 118.200 116.430 1.770 1
1 196 . 15 1 1 A 17 17 ASN CA C 17 54.524 54.132 0.392 1
1 197 . 15 1 1 A 17 17 ASN CB C 17 36.825 37.135 -0.310 1
1 198 . 15 1 1 A 17 17 ASN C C 17 175.797 174.066 1.731 1
1 199 . 15 1 1 A 17 17 ASN H H 17 7.682 8.132 -0.450 1
1 200 . 15 1 1 A 17 17 ASN HA H 17 4.300 4.468 -0.168 1
1 206 . 15 1 1 A 18 18 GLN N N 18 110.518 115.090 -4.572 1
1 208 . 15 1 1 A 18 18 GLN CA C 18 52.888 54.022 -1.134 1
1 209 . 15 1 1 A 18 18 GLN CB C 18 31.353 31.831 -0.478 1
1 211 . 15 1 1 A 18 18 GLN C C 18 171.717 174.007 -2.290 1
1 212 . 15 1 1 A 18 18 GLN H H 18 6.757 7.799 -1.042 1
1 213 . 15 1 1 A 18 18 GLN HA H 18 4.911 4.919 -0.008 1
1 220 . 15 1 1 A 19 19 LEU N N 19 124.400 124.109 0.291 1
1 221 . 15 1 1 A 19 19 LEU CA C 19 53.873 53.931 -0.058 1
1 222 . 15 1 1 A 19 19 LEU CB C 19 44.558 42.123 2.435 1
1 226 . 15 1 1 A 19 19 LEU C C 19 173.731 175.592 -1.861 1
1 227 . 15 1 1 A 19 19 LEU H H 19 9.048 7.738 1.310 1
1 228 . 15 1 1 A 19 19 LEU HA H 19 4.543 4.590 -0.047 1
1 238 . 15 1 1 A 20 20 LEU N N 20 128.415 124.710 3.705 1
1 239 . 15 1 1 A 20 20 LEU CA C 20 53.695 53.789 -0.094 1
1 240 . 15 1 1 A 20 20 LEU CB C 20 41.956 46.149 -4.193 1
1 244 . 15 1 1 A 20 20 LEU C C 20 175.696 174.505 1.191 1
1 245 . 15 1 1 A 20 20 LEU H H 20 9.021 9.429 -0.408 1
1 246 . 15 1 1 A 20 20 LEU HA H 20 4.852 5.416 -0.564 1
1 256 . 15 1 1 A 21 21 VAL N N 21 125.838 126.620 -0.782 1
1 257 . 15 1 1 A 21 21 VAL CA C 21 60.511 61.447 -0.936 1
1 258 . 15 1 1 A 21 21 VAL CB C 21 45.331 32.935 12.396 1
1 260 . 15 1 1 A 21 21 VAL C C 21 173.979 174.576 -0.597 1
1 261 . 15 1 1 A 21 21 VAL H H 21 9.073 9.163 -0.090 1
1 262 . 15 1 1 A 21 21 VAL HA H 21 4.853 4.811 0.042 1
1 270 . 15 1 1 A 22 22 GLY N N 22 117.254 116.204 1.050 1
1 271 . 15 1 1 A 22 22 GLY CA C 22 43.843 46.173 -2.330 1
1 272 . 15 1 1 A 22 22 GLY C C 22 172.485 174.203 -1.718 1
1 273 . 15 1 1 A 22 22 GLY H H 22 9.486 9.097 0.389 1
1 274 . 15 1 1 A 22 22 GLY HA3 H 22 4.653 4.079 0.574 1
1 275 . 15 1 1 A 22 22 GLY HA2 H 22 3.520 4.060 -0.540 1
1 276 . 15 1 1 A 23 23 ILE N N 23 125.106 121.522 3.584 1
1 277 . 15 1 1 A 23 23 ILE CA C 23 58.182 59.703 -1.521 1
1 278 . 15 1 1 A 23 23 ILE CB C 23 35.290 38.273 -2.983 1
1 282 . 15 1 1 A 23 23 ILE C C 23 174.346 176.043 -1.697 1
1 283 . 15 1 1 A 23 23 ILE H H 23 8.831 7.993 0.838 1
1 284 . 15 1 1 A 23 23 ILE HA H 23 4.330 4.885 -0.555 1
1 294 . 15 1 1 A 24 24 ILE N N 24 126.735 121.091 5.644 1
1 295 . 15 1 1 A 24 24 ILE CA C 24 65.005 62.747 2.258 1
1 296 . 15 1 1 A 24 24 ILE CB C 24 37.790 38.443 -0.653 1
1 300 . 15 1 1 A 24 24 ILE C C 24 177.149 176.304 0.845 1
1 301 . 15 1 1 A 24 24 ILE H H 24 8.365 8.503 -0.138 1
1 302 . 15 1 1 A 24 24 ILE HA H 24 3.903 4.163 -0.260 1
1 312 . 15 1 1 A 25 25 GLN N N 25 110.662 114.728 -4.066 1
1 314 . 15 1 1 A 25 25 GLN CA C 25 54.295 54.852 -0.557 1
1 315 . 15 1 1 A 25 25 GLN CB C 25 30.953 32.178 -1.225 1
1 317 . 15 1 1 A 25 25 GLN C C 25 171.152 173.337 -2.185 1
1 318 . 15 1 1 A 25 25 GLN H H 25 7.706 7.713 -0.007 1
1 319 . 15 1 1 A 25 25 GLN HA H 25 5.123 5.234 -0.111 1
1 325 . 15 1 1 A 26 26 ALA N N 26 121.300 123.422 -2.122 1
1 326 . 15 1 1 A 26 26 ALA CA C 26 49.951 50.279 -0.328 1
1 327 . 15 1 1 A 26 26 ALA CB C 26 22.406 22.624 -0.218 1
1 328 . 15 1 1 A 26 26 ALA C C 26 171.937 175.861 -3.924 1
1 329 . 15 1 1 A 26 26 ALA H H 26 9.195 8.624 0.571 1
1 330 . 15 1 1 A 26 26 ALA HA H 26 5.740 6.337 -0.597 1
1 334 . 15 1 1 A 27 27 ALA N N 27 120.100 121.803 -1.703 1
1 335 . 15 1 1 A 27 27 ALA CA C 27 50.524 50.642 -0.118 1
1 336 . 15 1 1 A 27 27 ALA CB C 27 24.047 21.491 2.556 1
1 337 . 15 1 1 A 27 27 ALA C C 27 174.984 176.875 -1.891 1
1 338 . 15 1 1 A 27 27 ALA H H 27 9.118 8.677 0.441 1
1 339 . 15 1 1 A 27 27 ALA HA H 27 5.353 4.837 0.516 1
1 343 . 15 1 1 A 28 28 GLU N N 28 112.600 119.486 -6.886 1
1 344 . 15 1 1 A 28 28 GLU CA C 28 56.032 57.334 -1.302 1
1 345 . 15 1 1 A 28 28 GLU CB C 28 25.966 27.493 -1.527 1
1 347 . 15 1 1 A 28 28 GLU C C 28 174.427 175.465 -1.038 1
1 348 . 15 1 1 A 28 28 GLU H H 28 8.453 8.528 -0.075 1
1 349 . 15 1 1 A 28 28 GLU HA H 28 3.648 3.820 -0.172 1
1 354 . 15 1 1 A 29 29 LEU N N 29 116.093 120.703 -4.610 1
1 355 . 15 1 1 A 29 29 LEU CA C 29 53.295 51.767 1.528 1
1 356 . 15 1 1 A 29 29 LEU CB C 29 39.640 42.127 -2.487 1
1 360 . 15 1 1 A 29 29 LEU C C 29 173.800 174.630 -0.830 1
1 361 . 15 1 1 A 29 29 LEU H H 29 7.951 8.516 -0.565 1
1 362 . 15 1 1 A 29 29 LEU HA H 29 4.330 5.128 -0.798 1
1 372 . 15 1 1 A 30 30 PRO CA C 30 61.760 63.261 -1.501 1
1 373 . 15 1 1 A 30 30 PRO CB C 30 31.492 32.256 -0.764 1
1 376 . 15 1 1 A 30 30 PRO C C 30 175.525 176.271 -0.746 1
1 377 . 15 1 1 A 30 30 PRO HA H 30 4.327 4.415 -0.088 1
1 383 . 15 1 1 A 31 31 ALA N N 31 122.487 125.056 -2.569 1
1 384 . 15 1 1 A 31 31 ALA CA C 31 50.604 51.294 -0.690 1
1 385 . 15 1 1 A 31 31 ALA CB C 31 18.576 20.042 -1.466 1
1 386 . 15 1 1 A 31 31 ALA C C 31 177.222 177.772 -0.550 1
1 387 . 15 1 1 A 31 31 ALA H H 31 8.128 8.370 -0.242 1
1 388 . 15 1 1 A 31 31 ALA HA H 31 4.130 4.747 -0.617 1
1 392 . 15 1 1 A 32 32 LEU N N 32 124.400 123.698 0.702 1
1 393 . 15 1 1 A 32 32 LEU CA C 32 55.041 53.924 1.117 1
1 394 . 15 1 1 A 32 32 LEU CB C 32 42.916 42.196 0.720 1
1 398 . 15 1 1 A 32 32 LEU C C 32 176.852 175.090 1.762 1
1 399 . 15 1 1 A 32 32 LEU H H 32 8.035 8.471 -0.436 1
1 400 . 15 1 1 A 32 32 LEU HA H 32 4.240 4.725 -0.485 1
1 410 . 15 1 1 A 33 33 ASP N N 33 119.800 119.759 0.041 1
1 411 . 15 1 1 A 33 33 ASP CA C 33 52.948 52.863 0.085 1
1 412 . 15 1 1 A 33 33 ASP CB C 33 41.578 44.493 -2.915 1
1 413 . 15 1 1 A 33 33 ASP C C 33 176.200 174.626 1.574 1
1 414 . 15 1 1 A 33 33 ASP H H 33 8.400 7.075 1.325 1
1 415 . 15 1 1 A 33 33 ASP HA H 33 4.785 4.917 -0.132 1
1 418 . 15 1 1 A 34 34 MET N N 34 120.000 120.362 -0.362 1
1 419 . 15 1 1 A 34 34 MET CA C 34 56.561 54.865 1.696 1
1 420 . 15 1 1 A 34 34 MET CB C 34 31.288 30.437 0.851 1
1 422 . 15 1 1 A 34 34 MET C C 34 176.483 176.155 0.328 1
1 423 . 15 1 1 A 34 34 MET H H 34 8.492 8.480 0.012 1
1 424 . 15 1 1 A 34 34 MET HA H 34 4.213 4.537 -0.324 1
1 429 . 15 1 1 A 35 35 GLY N N 35 110.400 108.104 2.296 1
1 430 . 15 1 1 A 35 35 GLY CA C 35 44.884 45.533 -0.649 1
1 431 . 15 1 1 A 35 35 GLY C C 35 174.831 175.160 -0.329 1
1 432 . 15 1 1 A 35 35 GLY H H 35 8.668 8.384 0.284 1
1 433 . 15 1 1 A 35 35 GLY HA3 H 35 4.039 4.072 -0.033 1
1 434 . 15 1 1 A 35 35 GLY HA2 H 35 3.818 4.069 -0.251 1
1 435 . 15 1 1 A 36 36 GLY N N 36 107.400 109.571 -2.171 1
1 436 . 15 1 1 A 36 36 GLY CA C 36 45.427 46.724 -1.297 1
1 437 . 15 1 1 A 36 36 GLY C C 36 173.194 173.602 -0.408 1
1 438 . 15 1 1 A 36 36 GLY H H 36 8.008 7.688 0.320 1
1 439 . 15 1 1 A 36 36 GLY HA3 H 36 4.000 3.937 0.063 1
1 440 . 15 1 1 A 36 36 GLY HA2 H 36 3.861 3.936 -0.075 1
1 441 . 15 1 1 A 37 37 THR N N 37 111.100 110.396 0.704 1
1 442 . 15 1 1 A 37 37 THR CA C 37 59.954 59.476 0.478 1
1 443 . 15 1 1 A 37 37 THR CB C 37 70.589 72.842 -2.253 1
1 445 . 15 1 1 A 37 37 THR C C 37 171.355 172.765 -1.410 1
1 446 . 15 1 1 A 37 37 THR H H 37 7.476 7.510 -0.034 1
1 447 . 15 1 1 A 37 37 THR HA H 37 4.511 5.078 -0.567 1
1 450 . 15 1 1 A 38 38 SER N N 38 115.811 116.425 -0.614 1
1 451 . 15 1 1 A 38 38 SER CA C 38 57.664 56.480 1.184 1
1 452 . 15 1 1 A 38 38 SER CB C 38 70.510 66.594 3.916 1
1 453 . 15 1 1 A 38 38 SER C C 38 170.198 173.063 -2.865 1
1 454 . 15 1 1 A 38 38 SER H H 38 7.257 9.130 -1.873 1
1 455 . 15 1 1 A 38 38 SER HA H 38 4.707 5.452 -0.745 1
1 458 . 15 1 1 A 39 39 ASP N N 39 121.288 123.921 -2.633 1
1 459 . 15 1 1 A 39 39 ASP CA C 39 51.058 51.780 -0.722 1
1 460 . 15 1 1 A 39 39 ASP CB C 39 42.210 41.900 0.310 1
1 461 . 15 1 1 A 39 39 ASP C C 39 172.500 173.556 -1.056 1
1 462 . 15 1 1 A 39 39 ASP H H 39 8.698 9.092 -0.394 1
1 463 . 15 1 1 A 39 39 ASP HA H 39 5.940 6.292 -0.352 1
1 466 . 15 1 1 A 40 40 PRO CA C 40 62.440 63.190 -0.750 1
1 467 . 15 1 1 A 40 40 PRO CB C 40 34.370 32.933 1.437 1
1 470 . 15 1 1 A 40 40 PRO C C 40 176.317 176.288 0.029 1
1 471 . 15 1 1 A 40 40 PRO HA H 40 5.826 4.717 1.109 1
1 478 . 15 1 1 A 41 41 TYR N N 41 113.769 118.039 -4.270 1
1 479 . 15 1 1 A 41 41 TYR CA C 41 56.150 56.669 -0.519 1
1 480 . 15 1 1 A 41 41 TYR CB C 41 40.246 40.903 -0.657 1
1 481 . 15 1 1 A 41 41 TYR C C 41 171.425 172.586 -1.161 1
1 482 . 15 1 1 A 41 41 TYR H H 41 8.703 8.924 -0.221 1
1 483 . 15 1 1 A 41 41 TYR HA H 41 4.795 5.447 -0.652 1
1 487 . 15 1 1 A 42 42 VAL N N 42 119.919 123.987 -4.068 1
1 488 . 15 1 1 A 42 42 VAL CA C 42 60.064 60.780 -0.716 1
1 489 . 15 1 1 A 42 42 VAL CB C 42 33.816 33.815 0.001 1
1 492 . 15 1 1 A 42 42 VAL C C 42 174.456 175.161 -0.705 1
1 493 . 15 1 1 A 42 42 VAL HA H 42 5.020 4.825 0.195 1
1 501 . 15 1 1 A 43 43 LYS N N 43 125.776 126.402 -0.626 1
1 502 . 15 1 1 A 43 43 LYS CA C 43 54.601 55.354 -0.753 1
1 503 . 15 1 1 A 43 43 LYS CB C 43 36.096 34.563 1.533 1
1 507 . 15 1 1 A 43 43 LYS C C 43 174.518 175.381 -0.863 1
1 508 . 15 1 1 A 43 43 LYS H H 43 9.415 9.000 0.415 1
1 509 . 15 1 1 A 43 43 LYS HA H 43 5.374 5.079 0.295 1
1 518 . 15 1 1 A 44 44 VAL N N 44 121.484 123.386 -1.902 1
1 519 . 15 1 1 A 44 44 VAL CA C 44 59.365 61.415 -2.050 1
1 520 . 15 1 1 A 44 44 VAL CB C 44 34.818 34.368 0.450 1
1 523 . 15 1 1 A 44 44 VAL C C 44 173.928 175.350 -1.422 1
1 524 . 15 1 1 A 44 44 VAL H H 44 8.845 8.849 -0.004 1
1 525 . 15 1 1 A 44 44 VAL HA H 44 5.326 4.864 0.462 1
1 533 . 15 1 1 A 45 45 PHE N N 45 120.600 123.081 -2.481 1
1 534 . 15 1 1 A 45 45 PHE CA C 45 55.886 55.654 0.232 1
1 535 . 15 1 1 A 45 45 PHE CB C 45 39.882 42.340 -2.458 1
1 536 . 15 1 1 A 45 45 PHE C C 45 171.102 172.414 -1.312 1
1 537 . 15 1 1 A 45 45 PHE H H 45 8.254 8.880 -0.626 1
1 538 . 15 1 1 A 45 45 PHE HA H 45 4.971 5.456 -0.485 1
1 541 . 15 1 1 A 46 46 LEU N N 46 121.444 120.061 1.383 1
1 542 . 15 1 1 A 46 46 LEU CA C 46 52.376 53.499 -1.123 1
1 543 . 15 1 1 A 46 46 LEU CB C 46 43.229 44.645 -1.416 1
1 547 . 15 1 1 A 46 46 LEU C C 46 176.176 176.730 -0.554 1
1 548 . 15 1 1 A 46 46 LEU H H 46 9.137 9.888 -0.751 1
1 549 . 15 1 1 A 46 46 LEU HA H 46 4.189 4.993 -0.804 1
1 559 . 15 1 1 A 47 47 LEU N N 47 123.900 121.492 2.408 1
1 560 . 15 1 1 A 47 47 LEU CA C 47 52.926 53.468 -0.542 1
1 561 . 15 1 1 A 47 47 LEU CB C 47 41.010 42.481 -1.471 1
1 565 . 15 1 1 A 47 47 LEU C C 47 175.800 177.610 -1.810 1
1 566 . 15 1 1 A 47 47 LEU H H 47 8.945 8.469 0.476 1
1 567 . 15 1 1 A 47 47 LEU HA H 47 4.185 4.581 -0.396 1
1 577 . 15 1 1 A 48 48 PRO CA C 48 62.992 65.183 -2.191 1
1 578 . 15 1 1 A 48 48 PRO CB C 48 24.080 31.858 -7.778 1
1 581 . 15 1 1 A 48 48 PRO C C 48 176.188 178.004 -1.816 1
1 582 . 15 1 1 A 48 48 PRO HA H 48 4.474 4.167 0.307 1
1 588 . 15 1 1 A 49 49 ASP N N 49 113.800 116.958 -3.158 1
1 589 . 15 1 1 A 49 49 ASP CA C 49 55.199 55.844 -0.645 1
1 590 . 15 1 1 A 49 49 ASP CB C 49 40.158 40.892 -0.734 1
1 591 . 15 1 1 A 49 49 ASP C C 49 175.304 176.226 -0.922 1
1 592 . 15 1 1 A 49 49 ASP H H 49 8.467 8.460 0.007 1
1 593 . 15 1 1 A 49 49 ASP HA H 49 4.576 4.467 0.109 1
1 596 . 15 1 1 A 50 50 LYS N N 50 120.081 117.658 2.423 1
1 597 . 15 1 1 A 50 50 LYS CA C 50 56.803 57.244 -0.441 1
1 598 . 15 1 1 A 50 50 LYS CB C 50 32.059 31.925 0.134 1
1 602 . 15 1 1 A 50 50 LYS H H 50 8.329 8.139 0.190 1
1 603 . 15 1 1 A 50 50 LYS HA H 50 3.949 4.400 -0.451 1
1 604 . 15 1 1 A 50 50 LYS C C 50 175.754 176.941 -1.187 1
1 613 . 15 1 1 A 51 51 LYS N N 51 117.896 120.112 -2.216 1
1 614 . 15 1 1 A 51 51 LYS CA C 51 57.360 56.831 0.529 1
1 615 . 15 1 1 A 51 51 LYS CB C 51 32.230 32.275 -0.045 1
1 619 . 15 1 1 A 51 51 LYS H H 51 8.099 8.099 0.000 1
1 620 . 15 1 1 A 51 51 LYS HA H 51 3.950 4.816 -0.866 1
1 621 . 15 1 1 A 51 51 LYS C C 51 176.619 176.177 0.442 1
1 630 . 15 1 1 A 52 52 LYS N N 52 120.200 118.215 1.985 1
1 631 . 15 1 1 A 52 52 LYS CA C 52 54.688 55.052 -0.364 1
1 632 . 15 1 1 A 52 52 LYS CB C 52 31.829 32.612 -0.783 1
1 636 . 15 1 1 A 52 52 LYS H H 52 7.447 7.811 -0.364 1
1 637 . 15 1 1 A 52 52 LYS HA H 52 4.259 4.529 -0.270 1
1 638 . 15 1 1 A 52 52 LYS C C 52 173.420 174.569 -1.149 1
1 647 . 15 1 1 A 53 53 LYS N N 53 123.119 125.814 -2.695 1
1 648 . 15 1 1 A 53 53 LYS CA C 53 53.698 55.282 -1.584 1
1 649 . 15 1 1 A 53 53 LYS CB C 53 41.592 33.914 7.678 1
1 653 . 15 1 1 A 53 53 LYS H H 53 7.810 8.903 -1.093 1
1 654 . 15 1 1 A 53 53 LYS HA H 53 5.004 4.648 0.356 1
1 655 . 15 1 1 A 53 53 LYS C C 53 174.468 176.483 -2.015 1
1 664 . 15 1 1 A 54 54 PHE N N 54 120.200 124.291 -4.091 1
1 665 . 15 1 1 A 54 54 PHE CA C 54 56.583 57.745 -1.162 1
1 666 . 15 1 1 A 54 54 PHE CB C 54 42.110 40.629 1.481 1
1 667 . 15 1 1 A 54 54 PHE C C 54 173.801 174.674 -0.873 1
1 668 . 15 1 1 A 54 54 PHE H H 54 8.490 8.864 -0.374 1
1 669 . 15 1 1 A 54 54 PHE HA H 54 4.680 4.645 0.035 1
1 672 . 15 1 1 A 55 55 GLU N N 55 117.600 118.382 -0.782 1
1 673 . 15 1 1 A 55 55 GLU CA C 55 53.537 54.411 -0.874 1
1 674 . 15 1 1 A 55 55 GLU CB C 55 33.241 33.142 0.099 1
1 676 . 15 1 1 A 55 55 GLU C C 55 176.694 174.617 2.077 1
1 677 . 15 1 1 A 55 55 GLU H H 55 8.309 9.040 -0.731 1
1 678 . 15 1 1 A 55 55 GLU HA H 55 5.690 4.627 1.063 1
1 683 . 15 1 1 A 56 56 THR N N 56 111.700 114.336 -2.636 1
1 684 . 15 1 1 A 56 56 THR CA C 56 60.989 60.975 0.014 1
1 685 . 15 1 1 A 56 56 THR CB C 56 71.860 70.407 1.453 1
1 687 . 15 1 1 A 56 56 THR C C 56 174.385 173.744 0.641 1
1 688 . 15 1 1 A 56 56 THR H H 56 8.775 8.750 0.025 1
1 689 . 15 1 1 A 56 56 THR HA H 56 4.838 4.991 -0.153 1
1 692 . 15 1 1 A 57 57 LYS N N 57 119.500 122.659 -3.159 1
1 693 . 15 1 1 A 57 57 LYS CA C 57 56.775 55.457 1.318 1
1 694 . 15 1 1 A 57 57 LYS CB C 57 32.743 32.852 -0.109 1
1 698 . 15 1 1 A 57 57 LYS H H 57 9.787 8.746 1.041 1
1 699 . 15 1 1 A 57 57 LYS HA H 57 4.151 4.976 -0.825 1
1 700 . 15 1 1 A 57 57 LYS C C 57 177.417 175.347 2.070 1
1 709 . 15 1 1 A 58 58 VAL N N 58 123.100 120.674 2.426 1
1 710 . 15 1 1 A 58 58 VAL CA C 58 61.870 60.577 1.293 1
1 711 . 15 1 1 A 58 58 VAL CB C 58 32.081 32.804 -0.723 1
1 714 . 15 1 1 A 58 58 VAL C C 58 176.850 174.298 2.552 1
1 715 . 15 1 1 A 58 58 VAL H H 58 8.120 8.743 -0.623 1
1 716 . 15 1 1 A 58 58 VAL HA H 58 4.284 4.855 -0.571 1
1 724 . 15 1 1 A 59 59 HIS N N 59 128.800 125.636 3.164 1
1 725 . 15 1 1 A 59 59 HIS CA C 59 54.311 54.202 0.109 1
1 726 . 15 1 1 A 59 59 HIS CB C 59 30.426 30.033 0.393 1
1 727 . 15 1 1 A 59 59 HIS C C 59 172.101 174.407 -2.306 1
1 728 . 15 1 1 A 59 59 HIS H H 59 8.550 8.916 -0.366 1
1 729 . 15 1 1 A 59 59 HIS HA H 59 4.457 5.036 -0.579 1
1 732 . 15 1 1 A 60 60 ARG N N 60 118.700 123.540 -4.840 1
1 733 . 15 1 1 A 60 60 ARG CA C 60 55.702 55.921 -0.219 1
1 734 . 15 1 1 A 60 60 ARG CB C 60 30.713 30.228 0.485 1
1 737 . 15 1 1 A 60 60 ARG C C 60 176.252 176.323 -0.071 1
1 738 . 15 1 1 A 60 60 ARG H H 60 8.211 8.403 -0.192 1
1 739 . 15 1 1 A 60 60 ARG HA H 60 4.389 4.300 0.089 1
1 746 . 15 1 1 A 61 61 LYS N N 61 122.500 120.652 1.848 1
1 747 . 15 1 1 A 61 61 LYS CA C 61 55.977 57.141 -1.164 1
1 748 . 15 1 1 A 61 61 LYS CB C 61 29.711 29.673 0.038 1
1 752 . 15 1 1 A 61 61 LYS H H 61 9.608 9.291 0.317 1
1 753 . 15 1 1 A 61 61 LYS HA H 61 3.946 3.822 0.124 1
1 754 . 15 1 1 A 61 61 LYS C C 61 175.083 175.006 0.077 1
1 763 . 15 1 1 A 62 62 THR N N 62 113.400 108.814 4.586 1
1 764 . 15 1 1 A 62 62 THR CA C 62 59.755 59.913 -0.158 1
1 765 . 15 1 1 A 62 62 THR CB C 62 63.417 72.091 -8.674 1
1 767 . 15 1 1 A 62 62 THR C C 62 170.120 174.827 -4.707 1
1 768 . 15 1 1 A 62 62 THR H H 62 8.470 7.625 0.845 1
1 769 . 15 1 1 A 62 62 THR HA H 62 4.703 4.854 -0.151 1
1 772 . 15 1 1 A 63 63 LEU N N 63 123.100 123.915 -0.815 1
1 773 . 15 1 1 A 63 63 LEU CA C 63 52.833 55.722 -2.889 1
1 774 . 15 1 1 A 63 63 LEU CB C 63 40.311 42.044 -1.733 1
1 778 . 15 1 1 A 63 63 LEU C C 63 175.135 176.534 -1.399 1
1 779 . 15 1 1 A 63 63 LEU H H 63 8.257 8.689 -0.432 1
1 780 . 15 1 1 A 63 63 LEU HA H 63 4.483 4.334 0.149 1
1 790 . 15 1 1 A 64 64 ASN N N 64 114.829 118.188 -3.359 1
1 792 . 15 1 1 A 64 64 ASN CA C 64 50.610 50.498 0.112 1
1 793 . 15 1 1 A 64 64 ASN CB C 64 40.550 38.887 1.663 1
1 794 . 15 1 1 A 64 64 ASN C C 64 171.500 173.110 -1.610 1
1 795 . 15 1 1 A 64 64 ASN H H 64 8.306 8.009 0.297 1
1 796 . 15 1 1 A 64 64 ASN HA H 64 5.450 5.192 0.258 1
1 801 . 15 1 1 A 65 65 PRO CA C 65 61.914 62.215 -0.301 1
1 802 . 15 1 1 A 65 65 PRO CB C 65 30.780 32.245 -1.465 1
1 805 . 15 1 1 A 65 65 PRO C C 65 173.852 176.236 -2.384 1
1 806 . 15 1 1 A 65 65 PRO HA H 65 3.970 4.760 -0.790 1
1 813 . 15 1 1 A 66 66 VAL N N 66 121.000 117.139 3.861 1
1 814 . 15 1 1 A 66 66 VAL CA C 66 61.782 59.924 1.858 1
1 815 . 15 1 1 A 66 66 VAL CB C 66 32.721 34.612 -1.891 1
1 818 . 15 1 1 A 66 66 VAL C C 66 175.152 175.726 -0.574 1
1 819 . 15 1 1 A 66 66 VAL H H 66 7.926 8.129 -0.203 1
1 820 . 15 1 1 A 66 66 VAL HA H 66 3.807 4.821 -1.014 1
1 828 . 15 1 1 A 67 67 PHE N N 67 123.400 125.098 -1.698 1
1 829 . 15 1 1 A 67 67 PHE CA C 67 59.262 60.365 -1.103 1
1 830 . 15 1 1 A 67 67 PHE CB C 67 39.849 39.750 0.099 1
1 831 . 15 1 1 A 67 67 PHE C C 67 175.748 176.146 -0.398 1
1 832 . 15 1 1 A 67 67 PHE H H 67 8.150 8.987 -0.837 1
1 833 . 15 1 1 A 67 67 PHE HA H 67 4.378 4.766 -0.388 1
1 836 . 15 1 1 A 68 68 ASN N N 68 117.500 116.861 0.639 1
1 837 . 15 1 1 A 68 68 ASN CA C 68 53.983 54.026 -0.043 1
1 838 . 15 1 1 A 68 68 ASN CB C 68 37.351 36.283 1.068 1
1 839 . 15 1 1 A 68 68 ASN C C 68 173.314 174.843 -1.529 1
1 840 . 15 1 1 A 68 68 ASN H H 68 8.920 9.039 -0.119 1
1 841 . 15 1 1 A 68 68 ASN HA H 68 4.350 5.024 -0.674 1
1 847 . 15 1 1 A 69 69 GLU N N 69 116.000 120.771 -4.771 1
1 848 . 15 1 1 A 69 69 GLU CA C 69 55.742 55.152 0.590 1
1 849 . 15 1 1 A 69 69 GLU CB C 69 34.663 32.485 2.178 1
1 851 . 15 1 1 A 69 69 GLU C C 69 174.165 174.741 -0.576 1
1 852 . 15 1 1 A 69 69 GLU H H 69 7.931 7.963 -0.032 1
1 853 . 15 1 1 A 69 69 GLU HA H 69 4.638 4.776 -0.138 1
1 858 . 15 1 1 A 70 70 GLN N N 70 121.500 126.321 -4.821 1
1 860 . 15 1 1 A 70 70 GLN CA C 70 53.807 55.565 -1.758 1
1 861 . 15 1 1 A 70 70 GLN CB C 70 31.750 29.389 2.361 1
1 863 . 15 1 1 A 70 70 GLN C C 70 173.068 175.179 -2.111 1
1 864 . 15 1 1 A 70 70 GLN H H 70 8.174 8.643 -0.469 1
1 865 . 15 1 1 A 70 70 GLN HA H 70 4.985 4.751 0.234 1
1 872 . 15 1 1 A 71 71 PHE N N 71 124.300 123.364 0.936 1
1 873 . 15 1 1 A 71 71 PHE CA C 71 55.249 56.410 -1.161 1
1 874 . 15 1 1 A 71 71 PHE CB C 71 42.133 39.977 2.156 1
1 875 . 15 1 1 A 71 71 PHE C C 71 173.570 175.781 -2.211 1
1 876 . 15 1 1 A 71 71 PHE H H 71 9.040 8.964 0.076 1
1 877 . 15 1 1 A 71 71 PHE HA H 71 4.528 5.287 -0.759 1
1 880 . 15 1 1 A 72 72 THR N N 72 114.000 120.110 -6.110 1
1 881 . 15 1 1 A 72 72 THR CA C 72 59.491 64.548 -5.057 1
1 882 . 15 1 1 A 72 72 THR CB C 72 70.623 69.182 1.441 1
1 884 . 15 1 1 A 72 72 THR C C 72 172.834 174.611 -1.777 1
1 885 . 15 1 1 A 72 72 THR H H 72 7.763 9.025 -1.262 1
1 886 . 15 1 1 A 72 72 THR HA H 72 5.212 4.330 0.882 1
1 889 . 15 1 1 A 73 73 PHE N N 73 120.900 124.621 -3.721 1
1 890 . 15 1 1 A 73 73 PHE CA C 73 56.071 55.750 0.321 1
1 891 . 15 1 1 A 73 73 PHE CB C 73 41.570 40.902 0.668 1
1 892 . 15 1 1 A 73 73 PHE C C 73 174.890 174.539 0.351 1
1 893 . 15 1 1 A 73 73 PHE H H 73 8.983 9.327 -0.344 1
1 894 . 15 1 1 A 73 73 PHE HA H 73 4.750 5.490 -0.740 1
1 897 . 15 1 1 A 74 74 LYS N N 74 127.500 122.314 5.186 1
1 898 . 15 1 1 A 74 74 LYS CA C 74 56.186 55.606 0.580 1
1 899 . 15 1 1 A 74 74 LYS CB C 74 30.577 33.087 -2.510 1
1 903 . 15 1 1 A 74 74 LYS C C 74 174.575 175.103 -0.528 1
1 904 . 15 1 1 A 74 74 LYS H H 74 9.063 8.766 0.297 1
1 905 . 15 1 1 A 74 74 LYS HA H 74 4.690 4.507 0.183 1
1 914 . 15 1 1 A 75 75 VAL N N 75 126.600 124.107 2.493 1
1 915 . 15 1 1 A 75 75 VAL CA C 75 57.737 58.086 -0.349 1
1 916 . 15 1 1 A 75 75 VAL CB C 75 35.160 34.932 0.228 1
1 919 . 15 1 1 A 75 75 VAL C C 75 171.500 173.984 -2.484 1
1 920 . 15 1 1 A 75 75 VAL H H 75 7.546 8.014 -0.468 1
1 921 . 15 1 1 A 75 75 VAL HA H 75 4.650 4.642 0.008 1
1 929 . 15 1 1 A 76 76 PRO CA C 76 62.476 62.649 -0.173 1
1 930 . 15 1 1 A 76 76 PRO CB C 76 32.143 32.505 -0.362 1
1 933 . 15 1 1 A 76 76 PRO C C 76 176.991 177.008 -0.017 1
1 934 . 15 1 1 A 76 76 PRO HA H 76 4.329 4.513 -0.184 1
1 941 . 15 1 1 A 77 77 TYR N N 77 128.500 125.132 3.368 1
1 942 . 15 1 1 A 77 77 TYR CA C 77 61.772 60.211 1.561 1
1 943 . 15 1 1 A 77 77 TYR CB C 77 37.898 36.998 0.900 1
1 944 . 15 1 1 A 77 77 TYR C C 77 177.516 176.487 1.029 1
1 945 . 15 1 1 A 77 77 TYR H H 77 8.626 8.876 -0.250 1
1 946 . 15 1 1 A 77 77 TYR HA H 77 3.403 3.735 -0.332 1
1 950 . 15 1 1 A 78 78 SER N N 78 110.600 116.312 -5.712 1
1 951 . 15 1 1 A 78 78 SER H H 78 8.509 7.620 0.889 1
1 952 . 15 1 1 A 78 78 SER CA C 78 60.064 60.945 -0.881 1
1 953 . 15 1 1 A 78 78 SER CB C 78 62.022 62.142 -0.120 1
1 954 . 15 1 1 A 78 78 SER C C 78 175.292 176.045 -0.753 1
1 955 . 15 1 1 A 78 78 SER HA H 78 3.940 3.976 -0.036 1
1 958 . 15 1 1 A 79 79 GLU N N 79 119.000 121.347 -2.347 1
1 959 . 15 1 1 A 79 79 GLU CA C 79 55.273 56.643 -1.370 1
1 960 . 15 1 1 A 79 79 GLU CB C 79 30.302 29.910 0.392 1
1 962 . 15 1 1 A 79 79 GLU C C 79 177.218 178.838 -1.620 1
1 963 . 15 1 1 A 79 79 GLU H H 79 7.411 7.427 -0.016 1
1 964 . 15 1 1 A 79 79 GLU HA H 79 4.280 4.181 0.099 1
1 969 . 15 1 1 A 80 80 LEU N N 80 121.600 122.063 -0.463 1
1 970 . 15 1 1 A 80 80 LEU CA C 80 57.376 57.777 -0.401 1
1 971 . 15 1 1 A 80 80 LEU CB C 80 41.916 41.525 0.391 1
1 975 . 15 1 1 A 80 80 LEU C C 80 177.098 178.314 -1.216 1
1 976 . 15 1 1 A 80 80 LEU H H 80 7.311 7.998 -0.687 1
1 977 . 15 1 1 A 80 80 LEU HA H 80 3.643 3.913 -0.270 1
1 987 . 15 1 1 A 81 81 GLY N N 81 102.900 106.857 -3.957 1
1 988 . 15 1 1 A 81 81 GLY CA C 81 46.638 47.277 -0.639 1
1 989 . 15 1 1 A 81 81 GLY C C 81 174.240 176.593 -2.353 1
1 990 . 15 1 1 A 81 81 GLY H H 81 7.860 8.127 -0.267 1
1 991 . 15 1 1 A 81 81 GLY HA3 H 81 3.744 3.758 -0.014 1
1 992 . 15 1 1 A 81 81 GLY HA2 H 81 3.434 3.719 -0.285 1
1 993 . 15 1 1 A 82 82 GLY N N 82 105.900 108.661 -2.761 1
1 994 . 15 1 1 A 82 82 GLY CA C 82 44.289 46.835 -2.546 1
1 995 . 15 1 1 A 82 82 GLY C C 82 174.591 174.677 -0.086 1
1 996 . 15 1 1 A 82 82 GLY H H 82 7.396 7.901 -0.505 1
1 997 . 15 1 1 A 82 82 GLY HA3 H 82 4.267 3.879 0.388 1
1 998 . 15 1 1 A 82 82 GLY HA2 H 82 3.760 3.869 -0.109 1
1 999 . 15 1 1 A 83 83 LYS N N 83 119.000 119.494 -0.494 1
1 1000 . 15 1 1 A 83 83 LYS CA C 83 53.818 56.212 -2.394 1
1 1001 . 15 1 1 A 83 83 LYS CB C 83 33.814 33.330 0.484 1
1 1005 . 15 1 1 A 83 83 LYS H H 83 7.888 7.464 0.424 1
1 1006 . 15 1 1 A 83 83 LYS HA H 83 4.366 4.989 -0.623 1
1 1007 . 15 1 1 A 83 83 LYS C C 83 176.518 175.716 0.802 1
1 1015 . 15 1 1 A 84 84 THR N N 84 118.500 113.912 4.588 1
1 1016 . 15 1 1 A 84 84 THR CA C 84 61.914 60.726 1.188 1
1 1017 . 15 1 1 A 84 84 THR CB C 84 71.340 70.950 0.390 1
1 1019 . 15 1 1 A 84 84 THR C C 84 171.750 173.088 -1.338 1
1 1020 . 15 1 1 A 84 84 THR H H 84 8.248 8.722 -0.474 1
1 1021 . 15 1 1 A 84 84 THR HA H 84 4.638 5.316 -0.678 1
1 1024 . 15 1 1 A 85 85 LEU N N 85 130.500 127.169 3.331 1
1 1025 . 15 1 1 A 85 85 LEU CA C 85 53.982 54.059 -0.077 1
1 1026 . 15 1 1 A 85 85 LEU CB C 85 43.826 44.030 -0.204 1
1 1030 . 15 1 1 A 85 85 LEU C C 85 173.417 176.020 -2.603 1
1 1031 . 15 1 1 A 85 85 LEU H H 85 8.430 8.523 -0.093 1
1 1032 . 15 1 1 A 85 85 LEU HA H 85 4.417 4.775 -0.358 1
1 1042 . 15 1 1 A 86 86 VAL N N 86 127.723 119.195 8.528 1
1 1043 . 15 1 1 A 86 86 VAL CA C 86 61.206 59.527 1.679 1
1 1044 . 15 1 1 A 86 86 VAL CB C 86 31.856 34.255 -2.399 1
1 1047 . 15 1 1 A 86 86 VAL C C 86 173.599 174.261 -0.662 1
1 1048 . 15 1 1 A 86 86 VAL H H 86 8.771 9.133 -0.362 1
1 1049 . 15 1 1 A 86 86 VAL HA H 86 4.151 4.988 -0.837 1
1 1057 . 15 1 1 A 87 87 MET N N 87 122.600 123.548 -0.948 1
1 1058 . 15 1 1 A 87 87 MET CA C 87 53.654 53.817 -0.163 1
1 1059 . 15 1 1 A 87 87 MET CB C 87 31.288 35.308 -4.020 1
1 1061 . 15 1 1 A 87 87 MET C C 87 172.749 174.956 -2.207 1
1 1062 . 15 1 1 A 87 87 MET H H 87 7.503 9.158 -1.655 1
1 1063 . 15 1 1 A 87 87 MET HA H 87 4.706 5.270 -0.564 1
1 1068 . 15 1 1 A 88 88 ALA N N 88 124.200 124.713 -0.513 1
1 1069 . 15 1 1 A 88 88 ALA CA C 88 50.017 51.119 -1.102 1
1 1070 . 15 1 1 A 88 88 ALA CB C 88 23.107 21.017 2.090 1
1 1071 . 15 1 1 A 88 88 ALA C C 88 174.558 175.494 -0.936 1
1 1072 . 15 1 1 A 88 88 ALA H H 88 8.755 9.348 -0.593 1
1 1073 . 15 1 1 A 88 88 ALA HA H 88 4.948 5.072 -0.124 1
1 1077 . 15 1 1 A 89 89 VAL N N 89 122.900 123.874 -0.974 1
1 1078 . 15 1 1 A 89 89 VAL CA C 89 60.881 61.981 -1.100 1
1 1079 . 15 1 1 A 89 89 VAL CB C 89 31.541 31.727 -0.186 1
1 1082 . 15 1 1 A 89 89 VAL C C 89 173.707 174.626 -0.919 1
1 1083 . 15 1 1 A 89 89 VAL H H 89 8.813 8.800 0.013 1
1 1084 . 15 1 1 A 89 89 VAL HA H 89 4.652 4.881 -0.229 1
1 1092 . 15 1 1 A 90 90 TYR N N 90 128.400 128.559 -0.159 1
1 1093 . 15 1 1 A 90 90 TYR CA C 90 56.230 55.779 0.451 1
1 1094 . 15 1 1 A 90 90 TYR CB C 90 43.211 41.574 1.637 1
1 1095 . 15 1 1 A 90 90 TYR C C 90 173.024 173.438 -0.414 1
1 1096 . 15 1 1 A 90 90 TYR H H 90 9.067 8.708 0.359 1
1 1097 . 15 1 1 A 90 90 TYR HA H 90 4.766 5.145 -0.379 1
1 1101 . 15 1 1 A 91 91 ASP N N 91 116.300 129.013 -12.713 1
1 1102 . 15 1 1 A 91 91 ASP CA C 91 51.800 53.104 -1.304 1
1 1103 . 15 1 1 A 91 91 ASP CB C 91 42.265 42.125 0.140 1
1 1104 . 15 1 1 A 91 91 ASP C C 91 175.823 175.245 0.578 1
1 1105 . 15 1 1 A 91 91 ASP H H 91 8.700 8.638 0.062 1
1 1106 . 15 1 1 A 91 91 ASP HA H 91 5.098 5.050 0.048 1
1 1109 . 15 1 1 A 92 92 PHE N N 92 128.100 128.273 -0.173 1
1 1110 . 15 1 1 A 92 92 PHE CA C 92 58.830 56.657 2.173 1
1 1111 . 15 1 1 A 92 92 PHE CB C 92 31.850 39.066 -7.216 1
1 1112 . 15 1 1 A 92 92 PHE C C 92 173.437 175.112 -1.675 1
1 1113 . 15 1 1 A 92 92 PHE H H 92 9.540 9.136 0.404 1
1 1114 . 15 1 1 A 92 92 PHE HA H 92 4.480 4.956 -0.476 1
1 1117 . 15 1 1 A 93 93 ASP N N 93 122.100 127.230 -5.130 1
1 1118 . 15 1 1 A 93 93 ASP CA C 93 53.701 53.496 0.205 1
1 1119 . 15 1 1 A 93 93 ASP CB C 93 41.736 40.337 1.399 1
1 1120 . 15 1 1 A 93 93 ASP C C 93 175.548 174.787 0.761 1
1 1121 . 15 1 1 A 93 93 ASP H H 93 7.812 8.745 -0.933 1
1 1122 . 15 1 1 A 93 93 ASP HA H 93 4.480 4.676 -0.196 1
1 1125 . 15 1 1 A 94 94 ARG N N 94 121.500 114.270 7.230 1
1 1126 . 15 1 1 A 94 94 ARG CA C 94 56.142 57.005 -0.863 1
1 1127 . 15 1 1 A 94 94 ARG CB C 94 30.173 27.585 2.588 1
1 1129 . 15 1 1 A 94 94 ARG C C 94 175.795 175.359 0.436 1
1 1130 . 15 1 1 A 94 94 ARG H H 94 8.264 7.375 0.889 1
1 1131 . 15 1 1 A 94 94 ARG HA H 94 4.000 3.253 0.747 1
1 1138 . 15 1 1 A 95 95 PHE N N 95 118.600 118.415 0.185 1
1 1139 . 15 1 1 A 95 95 PHE CA C 95 59.850 59.193 0.657 1
1 1140 . 15 1 1 A 95 95 PHE CB C 95 38.955 40.661 -1.706 1
1 1141 . 15 1 1 A 95 95 PHE C C 95 172.969 175.491 -2.522 1
1 1142 . 15 1 1 A 95 95 PHE H H 95 6.889 7.820 -0.931 1
1 1143 . 15 1 1 A 95 95 PHE HA H 95 4.373 4.649 -0.276 1
1 1146 . 15 1 1 A 96 96 SER N N 96 114.200 111.286 2.914 1
1 1147 . 15 1 1 A 96 96 SER H H 96 8.027 8.057 -0.030 1
1 1148 . 15 1 1 A 96 96 SER CA C 96 57.596 57.339 0.257 1
1 1149 . 15 1 1 A 96 96 SER CB C 96 63.494 65.212 -1.718 1
1 1150 . 15 1 1 A 96 96 SER C C 96 174.149 174.509 -0.360 1
1 1151 . 15 1 1 A 96 96 SER HA H 96 4.220 4.684 -0.464 1
1 1154 . 15 1 1 A 97 97 LYS N N 97 121.600 121.194 0.406 1
1 1155 . 15 1 1 A 97 97 LYS CA C 97 58.206 55.980 2.226 1
1 1156 . 15 1 1 A 97 97 LYS CB C 97 31.860 33.000 -1.140 1
1 1159 . 15 1 1 A 97 97 LYS H H 97 8.264 8.510 -0.246 1
1 1160 . 15 1 1 A 97 97 LYS HA H 97 4.202 4.530 -0.328 1
1 1161 . 15 1 1 A 97 97 LYS C C 97 175.599 175.550 0.049 1
1 1170 . 15 1 1 A 98 98 HIS N N 98 119.000 124.179 -5.179 1
1 1171 . 15 1 1 A 98 98 HIS CA C 98 54.159 55.957 -1.798 1
1 1172 . 15 1 1 A 98 98 HIS CB C 98 30.040 30.680 -0.640 1
1 1173 . 15 1 1 A 98 98 HIS C C 98 174.050 174.951 -0.901 1
1 1174 . 15 1 1 A 98 98 HIS H H 98 8.350 8.904 -0.554 1
1 1175 . 15 1 1 A 98 98 HIS HA H 98 4.784 4.741 0.043 1
1 1178 . 15 1 1 A 99 99 ASP N N 99 122.600 122.220 0.380 1
1 1179 . 15 1 1 A 99 99 ASP CA C 99 53.806 54.333 -0.527 1
1 1180 . 15 1 1 A 99 99 ASP CB C 99 41.074 41.467 -0.393 1
1 1181 . 15 1 1 A 99 99 ASP C C 99 174.346 175.834 -1.488 1
1 1182 . 15 1 1 A 99 99 ASP H H 99 8.812 8.601 0.211 1
1 1183 . 15 1 1 A 99 99 ASP HA H 99 4.781 4.494 0.287 1
1 1186 . 15 1 1 A 100 100 ILE N N 100 122.400 124.565 -2.165 1
1 1187 . 15 1 1 A 100 100 ILE CA C 100 60.989 62.449 -1.460 1
1 1188 . 15 1 1 A 100 100 ILE CB C 100 38.823 39.035 -0.212 1
1 1192 . 15 1 1 A 100 100 ILE C C 100 174.431 177.011 -2.580 1
1 1193 . 15 1 1 A 100 100 ILE H H 100 8.075 8.150 -0.075 1
1 1194 . 15 1 1 A 100 100 ILE HA H 100 3.405 3.508 -0.103 1
1 1204 . 15 1 1 A 101 101 ILE N N 101 127.400 125.035 2.365 1
1 1205 . 15 1 1 A 101 101 ILE CA C 101 63.380 63.692 -0.312 1
1 1206 . 15 1 1 A 101 101 ILE CB C 101 38.058 38.094 -0.036 1
1 1210 . 15 1 1 A 101 101 ILE C C 101 175.859 176.184 -0.325 1
1 1211 . 15 1 1 A 101 101 ILE H H 101 9.219 8.579 0.640 1
1 1212 . 15 1 1 A 101 101 ILE HA H 101 3.869 3.936 -0.067 1
1 1219 . 15 1 1 A 102 102 GLY N N 102 101.500 109.507 -8.007 1
1 1220 . 15 1 1 A 102 102 GLY CA C 102 45.259 45.787 -0.528 1
1 1221 . 15 1 1 A 102 102 GLY C C 102 169.614 171.578 -1.964 1
1 1222 . 15 1 1 A 102 102 GLY H H 102 7.241 7.365 -0.124 1
1 1223 . 15 1 1 A 102 102 GLY HA3 H 102 4.024 4.035 -0.011 1
1 1224 . 15 1 1 A 102 102 GLY HA2 H 102 3.811 4.025 -0.214 1
1 1225 . 15 1 1 A 103 103 GLU N N 103 117.100 119.516 -2.416 1
1 1226 . 15 1 1 A 103 103 GLU CA C 103 54.229 55.965 -1.736 1
1 1227 . 15 1 1 A 103 103 GLU CB C 103 34.012 33.597 0.415 1
1 1229 . 15 1 1 A 103 103 GLU C C 103 173.993 174.167 -0.174 1
1 1230 . 15 1 1 A 103 103 GLU H H 103 9.499 8.900 0.599 1
1 1231 . 15 1 1 A 103 103 GLU HA H 103 5.513 5.525 -0.012 1
1 1236 . 15 1 1 A 104 104 PHE N N 104 115.900 125.356 -9.456 1
1 1237 . 15 1 1 A 104 104 PHE CA C 104 58.037 57.093 0.944 1
1 1238 . 15 1 1 A 104 104 PHE CB C 104 41.030 42.806 -1.776 1
1 1239 . 15 1 1 A 104 104 PHE C C 104 171.749 173.338 -1.589 1
1 1240 . 15 1 1 A 104 104 PHE H H 104 8.525 9.018 -0.493 1
1 1241 . 15 1 1 A 104 104 PHE HA H 104 4.731 5.136 -0.405 1
1 1244 . 15 1 1 A 105 105 LYS N N 105 118.900 125.881 -6.981 1
1 1245 . 15 1 1 A 105 105 LYS CA C 105 53.771 54.901 -1.130 1
1 1246 . 15 1 1 A 105 105 LYS CB C 105 34.953 34.183 0.770 1
1 1250 . 15 1 1 A 105 105 LYS H H 105 7.805 7.870 -0.065 1
1 1251 . 15 1 1 A 105 105 LYS HA H 105 5.188 4.868 0.320 1
1 1252 . 15 1 1 A 105 105 LYS C C 105 175.389 174.805 0.584 1
1 1261 . 15 1 1 A 106 106 VAL N N 106 121.400 121.904 -0.504 1
1 1262 . 15 1 1 A 106 106 VAL CA C 106 58.522 58.419 0.103 1
1 1263 . 15 1 1 A 106 106 VAL CB C 106 34.050 35.017 -0.967 1
1 1266 . 15 1 1 A 106 106 VAL C C 106 173.300 173.469 -0.169 1
1 1267 . 15 1 1 A 106 106 VAL H H 106 9.276 8.795 0.481 1
1 1268 . 15 1 1 A 106 106 VAL HA H 106 4.430 4.560 -0.130 1
1 1276 . 15 1 1 A 107 107 PRO CA C 107 62.265 62.945 -0.680 1
1 1277 . 15 1 1 A 107 107 PRO CB C 107 31.157 31.830 -0.673 1
1 1280 . 15 1 1 A 107 107 PRO C C 107 178.967 178.338 0.629 1
1 1281 . 15 1 1 A 107 107 PRO HA H 107 4.703 4.624 0.079 1
1 1288 . 15 1 1 A 108 108 MET N N 108 126.300 124.370 1.930 1
1 1289 . 15 1 1 A 108 108 MET CA C 108 56.728 57.519 -0.791 1
1 1290 . 15 1 1 A 108 108 MET CB C 108 32.909 32.587 0.322 1
1 1292 . 15 1 1 A 108 108 MET C C 108 176.858 178.308 -1.450 1
1 1293 . 15 1 1 A 108 108 MET H H 108 8.716 8.506 0.210 1
1 1294 . 15 1 1 A 108 108 MET HA H 108 4.483 4.397 0.086 1
1 1299 . 15 1 1 A 109 109 ASN N N 109 115.600 116.115 -0.515 1
1 1300 . 15 1 1 A 109 109 ASN CA C 109 53.983 55.228 -1.245 1
1 1301 . 15 1 1 A 109 109 ASN CB C 109 36.227 36.853 -0.626 1
1 1302 . 15 1 1 A 109 109 ASN C C 109 175.789 176.532 -0.743 1
1 1303 . 15 1 1 A 109 109 ASN H H 109 8.342 8.862 -0.520 1
1 1304 . 15 1 1 A 109 109 ASN HA H 109 4.564 4.583 -0.019 1
1 1310 . 15 1 1 A 110 110 THR N N 110 107.600 112.146 -4.546 1
1 1311 . 15 1 1 A 110 110 THR CA C 110 61.115 63.276 -2.161 1
1 1312 . 15 1 1 A 110 110 THR CB C 110 62.929 69.498 -6.569 1
1 1314 . 15 1 1 A 110 110 THR C C 110 173.508 174.773 -1.265 1
1 1315 . 15 1 1 A 110 110 THR H H 110 7.522 7.859 -0.337 1
1 1316 . 15 1 1 A 110 110 THR HA H 110 4.461 4.393 0.068 1
1 1319 . 15 1 1 A 111 111 VAL N N 111 123.700 120.633 3.067 1
1 1320 . 15 1 1 A 111 111 VAL CA C 111 61.782 62.425 -0.643 1
1 1321 . 15 1 1 A 111 111 VAL CB C 111 32.821 32.434 0.387 1
1 1324 . 15 1 1 A 111 111 VAL C C 111 173.903 174.911 -1.008 1
1 1325 . 15 1 1 A 111 111 VAL H H 111 6.960 7.634 -0.674 1
1 1326 . 15 1 1 A 111 111 VAL HA H 111 3.703 4.146 -0.443 1
1 1334 . 15 1 1 A 112 112 ASP N N 112 125.800 128.372 -2.572 1
1 1335 . 15 1 1 A 112 112 ASP CA C 112 51.777 53.385 -1.608 1
1 1336 . 15 1 1 A 112 112 ASP CB C 112 40.648 40.857 -0.209 1
1 1337 . 15 1 1 A 112 112 ASP C C 112 175.407 176.663 -1.256 1
1 1338 . 15 1 1 A 112 112 ASP H H 112 8.341 8.954 -0.613 1
1 1339 . 15 1 1 A 112 112 ASP HA H 112 4.719 4.731 -0.012 1
1 1342 . 15 1 1 A 113 113 PHE N N 113 122.700 122.774 -0.074 1
1 1343 . 15 1 1 A 113 113 PHE CA C 113 59.887 56.477 3.410 1
1 1344 . 15 1 1 A 113 113 PHE CB C 113 37.999 38.292 -0.293 1
1 1345 . 15 1 1 A 113 113 PHE C C 113 175.854 176.870 -1.016 1
1 1346 . 15 1 1 A 113 113 PHE H H 113 8.391 7.988 0.403 1
1 1347 . 15 1 1 A 113 113 PHE HA H 113 4.670 4.762 -0.092 1
1 1350 . 15 1 1 A 114 114 GLY N N 114 108.608 109.185 -0.577 1
1 1351 . 15 1 1 A 114 114 GLY CA C 114 45.657 46.903 -1.246 1
1 1352 . 15 1 1 A 114 114 GLY C C 114 172.963 175.955 -2.992 1
1 1353 . 15 1 1 A 114 114 GLY H H 114 8.953 8.604 0.349 1
1 1354 . 15 1 1 A 114 114 GLY HA3 H 114 4.018 3.722 0.296 1
1 1355 . 15 1 1 A 114 114 GLY HA2 H 114 3.912 3.629 0.283 1
1 1356 . 15 1 1 A 115 115 HIS N N 115 114.926 119.138 -4.212 1
1 1357 . 15 1 1 A 115 115 HIS CA C 115 53.533 56.332 -2.799 1
1 1358 . 15 1 1 A 115 115 HIS CB C 115 30.349 31.034 -0.685 1
1 1359 . 15 1 1 A 115 115 HIS C C 115 172.453 174.079 -1.626 1
1 1360 . 15 1 1 A 115 115 HIS H H 115 7.510 8.267 -0.757 1
1 1361 . 15 1 1 A 115 115 HIS HA H 115 4.868 4.862 0.006 1
1 1364 . 15 1 1 A 116 116 VAL N N 116 122.100 117.167 4.933 1
1 1365 . 15 1 1 A 116 116 VAL CA C 116 62.992 61.112 1.880 1
1 1366 . 15 1 1 A 116 116 VAL CB C 116 31.850 34.154 -2.304 1
1 1369 . 15 1 1 A 116 116 VAL C C 116 176.352 175.119 1.233 1
1 1370 . 15 1 1 A 116 116 VAL H H 116 8.460 7.965 0.495 1
1 1371 . 15 1 1 A 116 116 VAL HA H 116 4.268 4.568 -0.300 1
1 1379 . 15 1 1 A 117 117 THR N N 117 124.700 122.838 1.862 1
1 1380 . 15 1 1 A 117 117 THR CA C 117 61.694 62.666 -0.972 1
1 1381 . 15 1 1 A 117 117 THR CB C 117 70.001 68.565 1.436 1
1 1383 . 15 1 1 A 117 117 THR C C 117 172.762 173.770 -1.008 1
1 1384 . 15 1 1 A 117 117 THR H H 117 8.550 9.600 -1.050 1
1 1385 . 15 1 1 A 117 117 THR HA H 117 4.460 4.594 -0.134 1
1 1388 . 15 1 1 A 118 118 GLU N N 118 126.000 125.151 0.849 1
1 1389 . 15 1 1 A 118 118 GLU CA C 118 55.038 55.137 -0.099 1
1 1390 . 15 1 1 A 118 118 GLU CB C 118 30.835 30.918 -0.083 1
1 1392 . 15 1 1 A 118 118 GLU C C 118 174.419 174.723 -0.304 1
1 1393 . 15 1 1 A 118 118 GLU H H 118 8.382 8.827 -0.445 1
1 1394 . 15 1 1 A 118 118 GLU HA H 118 4.776 5.157 -0.381 1
1 1399 . 15 1 1 A 119 119 GLU N N 119 123.000 121.246 1.754 1
1 1400 . 15 1 1 A 119 119 GLU CA C 119 54.292 54.624 -0.332 1
1 1401 . 15 1 1 A 119 119 GLU CB C 119 32.909 33.297 -0.388 1
1 1403 . 15 1 1 A 119 119 GLU C C 119 173.072 174.232 -1.160 1
1 1404 . 15 1 1 A 119 119 GLU H H 119 8.057 8.870 -0.813 1
1 1405 . 15 1 1 A 119 119 GLU HA H 119 4.631 4.233 0.398 1
1 1410 . 15 1 1 A 120 120 TRP N N 120 118.300 122.051 -3.751 1
1 1411 . 15 1 1 A 120 120 TRP C C 120 177.336 175.161 2.175 1
1 1412 . 15 1 1 A 120 120 TRP CA C 120 55.672 56.490 -0.818 1
1 1413 . 15 1 1 A 120 120 TRP CB C 120 31.259 29.680 1.579 1
1 1414 . 15 1 1 A 120 120 TRP H H 120 8.212 8.141 0.071 1
1 1415 . 15 1 1 A 120 120 TRP HA H 120 5.322 5.125 0.197 1
1 1424 . 15 1 1 A 121 121 ARG N N 121 120.900 126.451 -5.551 1
1 1425 . 15 1 1 A 121 121 ARG CA C 121 53.631 53.666 -0.035 1
1 1426 . 15 1 1 A 121 121 ARG CB C 121 32.865 33.269 -0.404 1
1 1429 . 15 1 1 A 121 121 ARG C C 121 174.321 174.248 0.073 1
1 1430 . 15 1 1 A 121 121 ARG H H 121 9.012 8.743 0.269 1
1 1431 . 15 1 1 A 121 121 ARG HA H 121 4.488 4.825 -0.337 1
1 1438 . 15 1 1 A 122 122 ASP N N 122 121.600 125.169 -3.569 1
1 1439 . 15 1 1 A 122 122 ASP CA C 122 53.795 53.400 0.395 1
1 1440 . 15 1 1 A 122 122 ASP CB C 122 40.544 42.545 -2.001 1
1 1441 . 15 1 1 A 122 122 ASP C C 122 176.041 175.004 1.037 1
1 1442 . 15 1 1 A 122 122 ASP H H 122 8.226 8.308 -0.082 1
1 1443 . 15 1 1 A 122 122 ASP HA H 122 4.791 5.007 -0.216 1
1 1446 . 15 1 1 A 123 123 LEU N N 123 120.700 125.358 -4.658 1
1 1447 . 15 1 1 A 123 123 LEU CA C 123 54.997 54.043 0.954 1
1 1448 . 15 1 1 A 123 123 LEU CB C 123 41.765 42.743 -0.978 1
1 1452 . 15 1 1 A 123 123 LEU C C 123 175.964 176.439 -0.475 1
1 1453 . 15 1 1 A 123 123 LEU H H 123 8.436 9.277 -0.841 1
1 1454 . 15 1 1 A 123 123 LEU HA H 123 4.125 4.936 -0.811 1
1 1464 . 15 1 1 A 124 124 GLN N N 124 119.200 124.440 -5.240 1
1 1466 . 15 1 1 A 124 124 GLN CA C 124 53.278 54.838 -1.560 1
1 1467 . 15 1 1 A 124 124 GLN CB C 124 31.232 30.512 0.720 1
1 1469 . 15 1 1 A 124 124 GLN C C 124 175.183 174.915 0.268 1
1 1470 . 15 1 1 A 124 124 GLN H H 124 9.020 9.043 -0.023 1
1 1471 . 15 1 1 A 124 124 GLN HA H 124 4.738 5.036 -0.298 1
1 1478 . 15 1 1 A 125 125 SER N N 125 115.300 118.702 -3.402 1
1 1479 . 15 1 1 A 125 125 SER H H 125 8.543 8.825 -0.282 1
1 1480 . 15 1 1 A 125 125 SER CA C 125 58.477 57.574 0.903 1
1 1481 . 15 1 1 A 125 125 SER CB C 125 63.274 63.357 -0.083 1
1 1482 . 15 1 1 A 125 125 SER C C 125 174.609 173.852 0.757 1
1 1483 . 15 1 1 A 125 125 SER HA H 125 4.235 4.969 -0.734 1
1 1486 . 15 1 1 A 126 126 ALA N N 126 126.900 130.480 -3.580 1
1 1487 . 15 1 1 A 126 126 ALA CA C 126 51.636 50.179 1.457 1
1 1488 . 15 1 1 A 126 126 ALA CB C 126 19.845 21.334 -1.489 1
1 1489 . 15 1 1 A 126 126 ALA C C 126 176.876 176.527 0.349 1
1 1490 . 15 1 1 A 126 126 ALA H H 126 8.640 9.029 -0.389 1
1 1491 . 15 1 1 A 126 126 ALA HA H 126 4.216 5.198 -0.982 1
1 1495 . 15 1 1 A 127 127 GLU N N 127 120.600 122.370 -1.770 1
1 1496 . 15 1 1 A 127 127 GLU CA C 127 56.142 55.166 0.976 1
1 1497 . 15 1 1 A 127 127 GLU CB C 127 29.996 28.936 1.060 1
1 1499 . 15 1 1 A 127 127 GLU C C 127 175.129 175.066 0.063 1
1 1500 . 15 1 1 A 127 127 GLU H H 127 8.204 8.674 -0.470 1
1 1501 . 15 1 1 A 127 127 GLU HA H 127 4.176 4.570 -0.394 1
1 12 . 16 1 1 A 2 2 LYS N N 2 123.200 118.376 4.824 1
1 13 . 16 1 1 A 2 2 LYS CA C 2 55.550 55.423 0.127 1
1 14 . 16 1 1 A 2 2 LYS CB C 2 31.730 32.953 -1.223 1
1 18 . 16 1 1 A 2 2 LYS H H 2 8.320 8.760 -0.440 1
1 19 . 16 1 1 A 2 2 LYS C C 2 176.041 175.846 0.195 1
1 20 . 16 1 1 A 2 2 LYS HA H 2 4.413 4.891 -0.478 1
1 29 . 16 1 1 A 3 3 LEU N N 3 124.700 124.033 0.667 1
1 30 . 16 1 1 A 3 3 LEU CA C 3 53.800 55.823 -2.023 1
1 31 . 16 1 1 A 3 3 LEU CB C 3 43.351 43.513 -0.162 1
1 35 . 16 1 1 A 3 3 LEU C C 3 173.289 176.647 -3.358 1
1 36 . 16 1 1 A 3 3 LEU H H 3 8.319 8.545 -0.226 1
1 37 . 16 1 1 A 3 3 LEU HA H 3 4.363 4.242 0.121 1
1 47 . 16 1 1 A 4 4 GLY N N 4 102.100 107.080 -4.980 1
1 48 . 16 1 1 A 4 4 GLY CA C 4 44.232 44.427 -0.195 1
1 49 . 16 1 1 A 4 4 GLY C C 4 174.476 172.995 1.481 1
1 50 . 16 1 1 A 4 4 GLY H H 4 7.412 7.836 -0.424 1
1 51 . 16 1 1 A 4 4 GLY HA3 H 4 4.367 4.052 0.315 1
1 52 . 16 1 1 A 4 4 GLY HA2 H 4 3.662 4.047 -0.385 1
1 53 . 16 1 1 A 5 5 LYS N N 5 114.993 120.454 -5.461 1
1 54 . 16 1 1 A 5 5 LYS CA C 5 54.807 54.610 0.197 1
1 55 . 16 1 1 A 5 5 LYS CB C 5 36.664 36.899 -0.235 1
1 59 . 16 1 1 A 5 5 LYS C C 5 173.762 174.705 -0.943 1
1 60 . 16 1 1 A 5 5 LYS H H 5 8.748 8.310 0.438 1
1 61 . 16 1 1 A 5 5 LYS HA H 5 5.333 5.228 0.105 1
1 70 . 16 1 1 A 6 6 LEU N N 6 122.195 123.718 -1.523 1
1 71 . 16 1 1 A 6 6 LEU CA C 6 53.760 53.604 0.156 1
1 72 . 16 1 1 A 6 6 LEU CB C 6 47.948 44.665 3.283 1
1 76 . 16 1 1 A 6 6 LEU C C 6 172.524 175.374 -2.850 1
1 77 . 16 1 1 A 6 6 LEU H H 6 9.058 9.445 -0.387 1
1 78 . 16 1 1 A 6 6 LEU HA H 6 5.312 5.761 -0.449 1
1 88 . 16 1 1 A 7 7 GLN N N 7 127.800 125.285 2.515 1
1 90 . 16 1 1 A 7 7 GLN CA C 7 52.595 55.208 -2.613 1
1 91 . 16 1 1 A 7 7 GLN CB C 7 28.032 29.851 -1.819 1
1 93 . 16 1 1 A 7 7 GLN C C 7 173.707 174.431 -0.724 1
1 94 . 16 1 1 A 7 7 GLN H H 7 8.945 8.411 0.534 1
1 95 . 16 1 1 A 7 7 GLN HA H 7 5.170 5.236 -0.066 1
1 102 . 16 1 1 A 8 8 TYR N N 8 125.700 123.608 2.092 1
1 103 . 16 1 1 A 8 8 TYR CA C 8 54.578 57.367 -2.789 1
1 104 . 16 1 1 A 8 8 TYR CB C 8 42.236 40.517 1.719 1
1 105 . 16 1 1 A 8 8 TYR C C 8 171.582 173.982 -2.400 1
1 106 . 16 1 1 A 8 8 TYR H H 8 8.445 8.468 -0.023 1
1 107 . 16 1 1 A 8 8 TYR HA H 8 5.401 4.945 0.456 1
1 110 . 16 1 1 A 9 9 SER N N 9 113.300 115.264 -1.964 1
1 111 . 16 1 1 A 9 9 SER H H 9 9.486 8.840 0.646 1
1 112 . 16 1 1 A 9 9 SER CA C 9 55.195 56.532 -1.337 1
1 113 . 16 1 1 A 9 9 SER CB C 9 67.116 65.009 2.107 1
1 114 . 16 1 1 A 9 9 SER C C 9 173.486 173.457 0.029 1
1 115 . 16 1 1 A 9 9 SER HA H 9 5.400 5.593 -0.193 1
1 118 . 16 1 1 A 10 10 LEU N N 10 120.700 126.923 -6.223 1
1 119 . 16 1 1 A 10 10 LEU CA C 10 53.388 53.516 -0.128 1
1 120 . 16 1 1 A 10 10 LEU CB C 10 46.946 45.353 1.593 1
1 121 . 16 1 1 A 10 10 LEU C C 10 174.640 175.229 -0.589 1
1 125 . 16 1 1 A 10 10 LEU H H 10 8.698 9.593 -0.895 1
1 126 . 16 1 1 A 10 10 LEU HA H 10 5.471 5.301 0.170 1
1 136 . 16 1 1 A 11 11 ASP N N 11 119.760 122.665 -2.905 1
1 137 . 16 1 1 A 11 11 ASP CA C 11 52.525 52.299 0.226 1
1 138 . 16 1 1 A 11 11 ASP CB C 11 44.683 44.435 0.248 1
1 139 . 16 1 1 A 11 11 ASP C C 11 173.093 174.195 -1.102 1
1 140 . 16 1 1 A 11 11 ASP H H 11 8.673 8.990 -0.317 1
1 141 . 16 1 1 A 11 11 ASP HA H 11 5.126 5.855 -0.729 1
1 144 . 16 1 1 A 12 12 TYR N N 12 124.200 116.847 7.353 1
1 145 . 16 1 1 A 12 12 TYR CA C 12 57.883 55.196 2.687 1
1 146 . 16 1 1 A 12 12 TYR CB C 12 40.054 41.718 -1.664 1
1 147 . 16 1 1 A 12 12 TYR C C 12 171.962 172.695 -0.733 1
1 148 . 16 1 1 A 12 12 TYR H H 12 8.898 9.141 -0.243 1
1 149 . 16 1 1 A 12 12 TYR HA H 12 4.609 5.857 -1.248 1
1 154 . 16 1 1 A 13 13 ASP N N 13 126.400 123.973 2.427 1
1 155 . 16 1 1 A 13 13 ASP CA C 13 51.141 52.614 -1.473 1
1 156 . 16 1 1 A 13 13 ASP CB C 13 40.891 41.989 -1.098 1
1 157 . 16 1 1 A 13 13 ASP C C 13 175.599 176.680 -1.081 1
1 158 . 16 1 1 A 13 13 ASP H H 13 8.018 8.582 -0.564 1
1 159 . 16 1 1 A 13 13 ASP HA H 13 4.591 4.638 -0.047 1
1 162 . 16 1 1 A 14 14 PHE N N 14 123.575 123.843 -0.268 1
1 163 . 16 1 1 A 14 14 PHE CA C 14 60.734 58.377 2.357 1
1 164 . 16 1 1 A 14 14 PHE CB C 14 38.821 39.212 -0.391 1
1 165 . 16 1 1 A 14 14 PHE C C 14 176.704 176.269 0.435 1
1 166 . 16 1 1 A 14 14 PHE H H 14 8.540 8.088 0.452 1
1 167 . 16 1 1 A 14 14 PHE HA H 14 4.187 4.711 -0.524 1
1 170 . 16 1 1 A 15 15 GLN N N 15 118.500 117.229 1.271 1
1 172 . 16 1 1 A 15 15 GLN CA C 15 57.927 56.021 1.906 1
1 173 . 16 1 1 A 15 15 GLN CB C 15 28.129 27.735 0.394 1
1 175 . 16 1 1 A 15 15 GLN C C 15 176.646 176.743 -0.097 1
1 176 . 16 1 1 A 15 15 GLN H H 15 8.307 7.362 0.945 1
1 177 . 16 1 1 A 15 15 GLN HA H 15 4.150 4.207 -0.057 1
1 184 . 16 1 1 A 16 16 ASN N N 16 113.392 116.674 -3.282 1
1 185 . 16 1 1 A 16 16 ASN CA C 16 52.051 51.919 0.132 1
1 186 . 16 1 1 A 16 16 ASN CB C 16 39.238 38.029 1.209 1
1 187 . 16 1 1 A 16 16 ASN C C 16 173.191 175.637 -2.446 1
1 188 . 16 1 1 A 16 16 ASN H H 16 7.347 7.466 -0.119 1
1 189 . 16 1 1 A 16 16 ASN HA H 16 4.682 4.705 -0.023 1
1 195 . 16 1 1 A 17 17 ASN N N 17 118.200 116.533 1.667 1
1 196 . 16 1 1 A 17 17 ASN CA C 17 54.524 54.151 0.373 1
1 197 . 16 1 1 A 17 17 ASN CB C 17 36.825 37.159 -0.334 1
1 198 . 16 1 1 A 17 17 ASN C C 17 175.797 174.058 1.739 1
1 199 . 16 1 1 A 17 17 ASN H H 17 7.682 8.132 -0.450 1
1 200 . 16 1 1 A 17 17 ASN HA H 17 4.300 4.449 -0.149 1
1 206 . 16 1 1 A 18 18 GLN N N 18 110.518 114.620 -4.102 1
1 208 . 16 1 1 A 18 18 GLN CA C 18 52.888 53.861 -0.973 1
1 209 . 16 1 1 A 18 18 GLN CB C 18 31.353 31.662 -0.309 1
1 211 . 16 1 1 A 18 18 GLN C C 18 171.717 174.204 -2.487 1
1 212 . 16 1 1 A 18 18 GLN H H 18 6.757 7.651 -0.894 1
1 213 . 16 1 1 A 18 18 GLN HA H 18 4.911 5.133 -0.222 1
1 220 . 16 1 1 A 19 19 LEU N N 19 124.400 123.915 0.485 1
1 221 . 16 1 1 A 19 19 LEU CA C 19 53.873 54.515 -0.642 1
1 222 . 16 1 1 A 19 19 LEU CB C 19 44.558 42.093 2.465 1
1 226 . 16 1 1 A 19 19 LEU C C 19 173.731 176.032 -2.301 1
1 227 . 16 1 1 A 19 19 LEU H H 19 9.048 8.109 0.939 1
1 228 . 16 1 1 A 19 19 LEU HA H 19 4.543 4.300 0.243 1
1 238 . 16 1 1 A 20 20 LEU N N 20 128.415 124.969 3.446 1
1 239 . 16 1 1 A 20 20 LEU CA C 20 53.695 53.428 0.267 1
1 240 . 16 1 1 A 20 20 LEU CB C 20 41.956 45.589 -3.633 1
1 244 . 16 1 1 A 20 20 LEU C C 20 175.696 174.823 0.873 1
1 245 . 16 1 1 A 20 20 LEU H H 20 9.021 9.305 -0.284 1
1 246 . 16 1 1 A 20 20 LEU HA H 20 4.852 5.288 -0.436 1
1 256 . 16 1 1 A 21 21 VAL N N 21 125.838 127.348 -1.510 1
1 257 . 16 1 1 A 21 21 VAL CA C 21 60.511 61.516 -1.005 1
1 258 . 16 1 1 A 21 21 VAL CB C 21 45.331 32.780 12.551 1
1 260 . 16 1 1 A 21 21 VAL C C 21 173.979 175.110 -1.131 1
1 261 . 16 1 1 A 21 21 VAL H H 21 9.073 9.053 0.020 1
1 262 . 16 1 1 A 21 21 VAL HA H 21 4.853 4.707 0.146 1
1 270 . 16 1 1 A 22 22 GLY N N 22 117.254 113.905 3.349 1
1 271 . 16 1 1 A 22 22 GLY CA C 22 43.843 46.682 -2.839 1
1 272 . 16 1 1 A 22 22 GLY C C 22 172.485 174.391 -1.906 1
1 273 . 16 1 1 A 22 22 GLY H H 22 9.486 9.097 0.389 1
1 274 . 16 1 1 A 22 22 GLY HA3 H 22 4.653 4.182 0.471 1
1 275 . 16 1 1 A 22 22 GLY HA2 H 22 3.520 4.146 -0.626 1
1 276 . 16 1 1 A 23 23 ILE N N 23 125.106 121.323 3.783 1
1 277 . 16 1 1 A 23 23 ILE CA C 23 58.182 59.736 -1.554 1
1 278 . 16 1 1 A 23 23 ILE CB C 23 35.290 38.316 -3.026 1
1 282 . 16 1 1 A 23 23 ILE C C 23 174.346 176.515 -2.169 1
1 283 . 16 1 1 A 23 23 ILE H H 23 8.831 8.043 0.788 1
1 284 . 16 1 1 A 23 23 ILE HA H 23 4.330 4.939 -0.609 1
1 294 . 16 1 1 A 24 24 ILE N N 24 126.735 117.646 9.089 1
1 295 . 16 1 1 A 24 24 ILE CA C 24 65.005 61.486 3.519 1
1 296 . 16 1 1 A 24 24 ILE CB C 24 37.790 38.338 -0.548 1
1 300 . 16 1 1 A 24 24 ILE C C 24 177.149 175.842 1.307 1
1 301 . 16 1 1 A 24 24 ILE H H 24 8.365 8.522 -0.157 1
1 302 . 16 1 1 A 24 24 ILE HA H 24 3.903 4.172 -0.269 1
1 312 . 16 1 1 A 25 25 GLN N N 25 110.662 120.895 -10.233 1
1 314 . 16 1 1 A 25 25 GLN CA C 25 54.295 55.334 -1.039 1
1 315 . 16 1 1 A 25 25 GLN CB C 25 30.953 32.400 -1.447 1
1 317 . 16 1 1 A 25 25 GLN C C 25 171.152 173.736 -2.584 1
1 318 . 16 1 1 A 25 25 GLN H H 25 7.706 7.683 0.023 1
1 319 . 16 1 1 A 25 25 GLN HA H 25 5.123 5.001 0.122 1
1 325 . 16 1 1 A 26 26 ALA N N 26 121.300 126.977 -5.677 1
1 326 . 16 1 1 A 26 26 ALA CA C 26 49.951 50.225 -0.274 1
1 327 . 16 1 1 A 26 26 ALA CB C 26 22.406 22.708 -0.302 1
1 328 . 16 1 1 A 26 26 ALA C C 26 171.937 175.910 -3.973 1
1 329 . 16 1 1 A 26 26 ALA H H 26 9.195 8.577 0.618 1
1 330 . 16 1 1 A 26 26 ALA HA H 26 5.740 6.116 -0.376 1
1 334 . 16 1 1 A 27 27 ALA N N 27 120.100 121.688 -1.588 1
1 335 . 16 1 1 A 27 27 ALA CA C 27 50.524 50.680 -0.156 1
1 336 . 16 1 1 A 27 27 ALA CB C 27 24.047 21.704 2.343 1
1 337 . 16 1 1 A 27 27 ALA C C 27 174.984 176.812 -1.828 1
1 338 . 16 1 1 A 27 27 ALA H H 27 9.118 8.596 0.522 1
1 339 . 16 1 1 A 27 27 ALA HA H 27 5.353 4.840 0.513 1
1 343 . 16 1 1 A 28 28 GLU N N 28 112.600 118.442 -5.842 1
1 344 . 16 1 1 A 28 28 GLU CA C 28 56.032 57.395 -1.363 1
1 345 . 16 1 1 A 28 28 GLU CB C 28 25.966 27.615 -1.649 1
1 347 . 16 1 1 A 28 28 GLU C C 28 174.427 175.814 -1.387 1
1 348 . 16 1 1 A 28 28 GLU H H 28 8.453 8.521 -0.068 1
1 349 . 16 1 1 A 28 28 GLU HA H 28 3.648 3.830 -0.182 1
1 354 . 16 1 1 A 29 29 LEU N N 29 116.093 120.277 -4.184 1
1 355 . 16 1 1 A 29 29 LEU CA C 29 53.295 53.152 0.143 1
1 356 . 16 1 1 A 29 29 LEU CB C 29 39.640 40.779 -1.139 1
1 360 . 16 1 1 A 29 29 LEU C C 29 173.800 175.650 -1.850 1
1 361 . 16 1 1 A 29 29 LEU H H 29 7.951 7.867 0.084 1
1 362 . 16 1 1 A 29 29 LEU HA H 29 4.330 4.700 -0.370 1
1 372 . 16 1 1 A 30 30 PRO CA C 30 61.760 62.270 -0.510 1
1 373 . 16 1 1 A 30 30 PRO CB C 30 31.492 32.593 -1.101 1
1 376 . 16 1 1 A 30 30 PRO C C 30 175.525 176.213 -0.688 1
1 377 . 16 1 1 A 30 30 PRO HA H 30 4.327 4.758 -0.431 1
1 383 . 16 1 1 A 31 31 ALA N N 31 122.487 123.749 -1.262 1
1 384 . 16 1 1 A 31 31 ALA CA C 31 50.604 52.620 -2.016 1
1 385 . 16 1 1 A 31 31 ALA CB C 31 18.576 19.248 -0.672 1
1 386 . 16 1 1 A 31 31 ALA C C 31 177.222 178.581 -1.359 1
1 387 . 16 1 1 A 31 31 ALA H H 31 8.128 8.387 -0.259 1
1 388 . 16 1 1 A 31 31 ALA HA H 31 4.130 4.431 -0.301 1
1 392 . 16 1 1 A 32 32 LEU N N 32 124.400 119.377 5.023 1
1 393 . 16 1 1 A 32 32 LEU CA C 32 55.041 54.357 0.684 1
1 394 . 16 1 1 A 32 32 LEU CB C 32 42.916 41.715 1.201 1
1 398 . 16 1 1 A 32 32 LEU C C 32 176.852 175.613 1.239 1
1 399 . 16 1 1 A 32 32 LEU H H 32 8.035 8.866 -0.831 1
1 400 . 16 1 1 A 32 32 LEU HA H 32 4.240 4.505 -0.265 1
1 410 . 16 1 1 A 33 33 ASP N N 33 119.800 118.075 1.725 1
1 411 . 16 1 1 A 33 33 ASP CA C 33 52.948 53.584 -0.636 1
1 412 . 16 1 1 A 33 33 ASP CB C 33 41.578 44.809 -3.231 1
1 413 . 16 1 1 A 33 33 ASP C C 33 176.200 174.286 1.914 1
1 414 . 16 1 1 A 33 33 ASP H H 33 8.400 7.675 0.725 1
1 415 . 16 1 1 A 33 33 ASP HA H 33 4.785 4.975 -0.190 1
1 418 . 16 1 1 A 34 34 MET N N 34 120.000 122.563 -2.563 1
1 419 . 16 1 1 A 34 34 MET CA C 34 56.561 55.185 1.376 1
1 420 . 16 1 1 A 34 34 MET CB C 34 31.288 30.640 0.648 1
1 422 . 16 1 1 A 34 34 MET C C 34 176.483 175.759 0.724 1
1 423 . 16 1 1 A 34 34 MET H H 34 8.492 8.471 0.021 1
1 424 . 16 1 1 A 34 34 MET HA H 34 4.213 4.614 -0.401 1
1 429 . 16 1 1 A 35 35 GLY N N 35 110.400 107.190 3.210 1
1 430 . 16 1 1 A 35 35 GLY CA C 35 44.884 45.453 -0.569 1
1 431 . 16 1 1 A 35 35 GLY C C 35 174.831 174.981 -0.150 1
1 432 . 16 1 1 A 35 35 GLY H H 35 8.668 7.573 1.095 1
1 433 . 16 1 1 A 35 35 GLY HA3 H 35 4.039 4.011 0.028 1
1 434 . 16 1 1 A 35 35 GLY HA2 H 35 3.818 4.011 -0.193 1
1 435 . 16 1 1 A 36 36 GLY N N 36 107.400 108.936 -1.536 1
1 436 . 16 1 1 A 36 36 GLY CA C 36 45.427 46.820 -1.393 1
1 437 . 16 1 1 A 36 36 GLY C C 36 173.194 174.349 -1.155 1
1 438 . 16 1 1 A 36 36 GLY H H 36 8.008 7.992 0.016 1
1 439 . 16 1 1 A 36 36 GLY HA3 H 36 4.000 4.022 -0.022 1
1 440 . 16 1 1 A 36 36 GLY HA2 H 36 3.861 4.010 -0.149 1
1 441 . 16 1 1 A 37 37 THR N N 37 111.100 109.627 1.473 1
1 442 . 16 1 1 A 37 37 THR CA C 37 59.954 60.393 -0.439 1
1 443 . 16 1 1 A 37 37 THR CB C 37 70.589 71.541 -0.952 1
1 445 . 16 1 1 A 37 37 THR C C 37 171.355 173.119 -1.764 1
1 446 . 16 1 1 A 37 37 THR H H 37 7.476 7.749 -0.273 1
1 447 . 16 1 1 A 37 37 THR HA H 37 4.511 5.384 -0.873 1
1 450 . 16 1 1 A 38 38 SER N N 38 115.811 117.796 -1.985 1
1 451 . 16 1 1 A 38 38 SER CA C 38 57.664 56.785 0.879 1
1 452 . 16 1 1 A 38 38 SER CB C 38 70.510 64.674 5.836 1
1 453 . 16 1 1 A 38 38 SER C C 38 170.198 172.862 -2.664 1
1 454 . 16 1 1 A 38 38 SER H H 38 7.257 8.748 -1.491 1
1 455 . 16 1 1 A 38 38 SER HA H 38 4.707 5.100 -0.393 1
1 458 . 16 1 1 A 39 39 ASP N N 39 121.288 126.349 -5.061 1
1 459 . 16 1 1 A 39 39 ASP CA C 39 51.058 51.748 -0.690 1
1 460 . 16 1 1 A 39 39 ASP CB C 39 42.210 41.663 0.547 1
1 461 . 16 1 1 A 39 39 ASP C C 39 172.500 173.986 -1.486 1
1 462 . 16 1 1 A 39 39 ASP H H 39 8.698 9.164 -0.466 1
1 463 . 16 1 1 A 39 39 ASP HA H 39 5.940 6.117 -0.177 1
1 466 . 16 1 1 A 40 40 PRO CA C 40 62.440 63.523 -1.083 1
1 467 . 16 1 1 A 40 40 PRO CB C 40 34.370 32.545 1.825 1
1 470 . 16 1 1 A 40 40 PRO C C 40 176.317 176.313 0.004 1
1 471 . 16 1 1 A 40 40 PRO HA H 40 5.826 4.601 1.225 1
1 478 . 16 1 1 A 41 41 TYR N N 41 113.769 118.417 -4.648 1
1 479 . 16 1 1 A 41 41 TYR CA C 41 56.150 57.056 -0.906 1
1 480 . 16 1 1 A 41 41 TYR CB C 41 40.246 41.092 -0.846 1
1 481 . 16 1 1 A 41 41 TYR C C 41 171.425 172.660 -1.235 1
1 482 . 16 1 1 A 41 41 TYR H H 41 8.703 8.887 -0.184 1
1 483 . 16 1 1 A 41 41 TYR HA H 41 4.795 5.341 -0.546 1
1 487 . 16 1 1 A 42 42 VAL N N 42 119.919 122.746 -2.827 1
1 488 . 16 1 1 A 42 42 VAL CA C 42 60.064 61.715 -1.651 1
1 489 . 16 1 1 A 42 42 VAL CB C 42 33.816 32.368 1.448 1
1 492 . 16 1 1 A 42 42 VAL C C 42 174.456 175.314 -0.858 1
1 493 . 16 1 1 A 42 42 VAL HA H 42 5.020 4.800 0.220 1
1 501 . 16 1 1 A 43 43 LYS N N 43 125.776 127.392 -1.616 1
1 502 . 16 1 1 A 43 43 LYS CA C 43 54.601 55.793 -1.192 1
1 503 . 16 1 1 A 43 43 LYS CB C 43 36.096 33.096 3.000 1
1 507 . 16 1 1 A 43 43 LYS C C 43 174.518 175.296 -0.778 1
1 508 . 16 1 1 A 43 43 LYS H H 43 9.415 9.576 -0.161 1
1 509 . 16 1 1 A 43 43 LYS HA H 43 5.374 4.634 0.740 1
1 518 . 16 1 1 A 44 44 VAL N N 44 121.484 123.422 -1.938 1
1 519 . 16 1 1 A 44 44 VAL CA C 44 59.365 60.659 -1.294 1
1 520 . 16 1 1 A 44 44 VAL CB C 44 34.818 32.923 1.895 1
1 523 . 16 1 1 A 44 44 VAL C C 44 173.928 174.377 -0.449 1
1 524 . 16 1 1 A 44 44 VAL H H 44 8.845 8.242 0.603 1
1 525 . 16 1 1 A 44 44 VAL HA H 44 5.326 4.526 0.800 1
1 533 . 16 1 1 A 45 45 PHE N N 45 120.600 125.130 -4.530 1
1 534 . 16 1 1 A 45 45 PHE CA C 45 55.886 56.091 -0.205 1
1 535 . 16 1 1 A 45 45 PHE CB C 45 39.882 44.160 -4.278 1
1 536 . 16 1 1 A 45 45 PHE C C 45 171.102 174.497 -3.395 1
1 537 . 16 1 1 A 45 45 PHE H H 45 8.254 8.957 -0.703 1
1 538 . 16 1 1 A 45 45 PHE HA H 45 4.971 5.194 -0.223 1
1 541 . 16 1 1 A 46 46 LEU N N 46 121.444 121.309 0.135 1
1 542 . 16 1 1 A 46 46 LEU CA C 46 52.376 53.588 -1.212 1
1 543 . 16 1 1 A 46 46 LEU CB C 46 43.229 46.695 -3.466 1
1 547 . 16 1 1 A 46 46 LEU C C 46 176.176 174.430 1.746 1
1 548 . 16 1 1 A 46 46 LEU H H 46 9.137 8.990 0.147 1
1 549 . 16 1 1 A 46 46 LEU HA H 46 4.189 5.423 -1.234 1
1 559 . 16 1 1 A 47 47 LEU N N 47 123.900 125.656 -1.756 1
1 560 . 16 1 1 A 47 47 LEU CA C 47 52.926 52.431 0.495 1
1 561 . 16 1 1 A 47 47 LEU CB C 47 41.010 43.387 -2.377 1
1 565 . 16 1 1 A 47 47 LEU C C 47 175.800 177.413 -1.613 1
1 566 . 16 1 1 A 47 47 LEU H H 47 8.945 8.171 0.774 1
1 567 . 16 1 1 A 47 47 LEU HA H 47 4.185 4.593 -0.408 1
1 577 . 16 1 1 A 48 48 PRO CA C 48 62.992 64.984 -1.992 1
1 578 . 16 1 1 A 48 48 PRO CB C 48 24.080 31.985 -7.905 1
1 581 . 16 1 1 A 48 48 PRO C C 48 176.188 177.662 -1.474 1
1 582 . 16 1 1 A 48 48 PRO HA H 48 4.474 4.255 0.219 1
1 588 . 16 1 1 A 49 49 ASP N N 49 113.800 116.381 -2.581 1
1 589 . 16 1 1 A 49 49 ASP CA C 49 55.199 56.834 -1.635 1
1 590 . 16 1 1 A 49 49 ASP CB C 49 40.158 41.451 -1.293 1
1 591 . 16 1 1 A 49 49 ASP C C 49 175.304 176.096 -0.792 1
1 592 . 16 1 1 A 49 49 ASP H H 49 8.467 9.380 -0.913 1
1 593 . 16 1 1 A 49 49 ASP HA H 49 4.576 4.456 0.120 1
1 596 . 16 1 1 A 50 50 LYS N N 50 120.081 118.859 1.222 1
1 597 . 16 1 1 A 50 50 LYS CA C 50 56.803 57.251 -0.448 1
1 598 . 16 1 1 A 50 50 LYS CB C 50 32.059 30.810 1.249 1
1 602 . 16 1 1 A 50 50 LYS H H 50 8.329 8.103 0.226 1
1 603 . 16 1 1 A 50 50 LYS HA H 50 3.949 4.088 -0.139 1
1 604 . 16 1 1 A 50 50 LYS C C 50 175.754 176.738 -0.984 1
1 613 . 16 1 1 A 51 51 LYS N N 51 117.896 117.976 -0.080 1
1 614 . 16 1 1 A 51 51 LYS CA C 51 57.360 56.061 1.299 1
1 615 . 16 1 1 A 51 51 LYS CB C 51 32.230 32.570 -0.340 1
1 619 . 16 1 1 A 51 51 LYS H H 51 8.099 8.063 0.036 1
1 620 . 16 1 1 A 51 51 LYS HA H 51 3.950 4.448 -0.498 1
1 621 . 16 1 1 A 51 51 LYS C C 51 176.619 175.523 1.096 1
1 630 . 16 1 1 A 52 52 LYS N N 52 120.200 117.452 2.748 1
1 631 . 16 1 1 A 52 52 LYS CA C 52 54.688 55.415 -0.727 1
1 632 . 16 1 1 A 52 52 LYS CB C 52 31.829 33.190 -1.361 1
1 636 . 16 1 1 A 52 52 LYS H H 52 7.447 7.850 -0.403 1
1 637 . 16 1 1 A 52 52 LYS HA H 52 4.259 4.903 -0.644 1
1 638 . 16 1 1 A 52 52 LYS C C 52 173.420 174.638 -1.218 1
1 647 . 16 1 1 A 53 53 LYS N N 53 123.119 125.911 -2.792 1
1 648 . 16 1 1 A 53 53 LYS CA C 53 53.698 55.458 -1.760 1
1 649 . 16 1 1 A 53 53 LYS CB C 53 41.592 32.504 9.088 1
1 653 . 16 1 1 A 53 53 LYS H H 53 7.810 8.718 -0.908 1
1 654 . 16 1 1 A 53 53 LYS HA H 53 5.004 4.812 0.192 1
1 655 . 16 1 1 A 53 53 LYS C C 53 174.468 174.959 -0.491 1
1 664 . 16 1 1 A 54 54 PHE N N 54 120.200 123.466 -3.266 1
1 665 . 16 1 1 A 54 54 PHE CA C 54 56.583 56.782 -0.199 1
1 666 . 16 1 1 A 54 54 PHE CB C 54 42.110 42.196 -0.086 1
1 667 . 16 1 1 A 54 54 PHE C C 54 173.801 175.070 -1.269 1
1 668 . 16 1 1 A 54 54 PHE H H 54 8.490 9.064 -0.574 1
1 669 . 16 1 1 A 54 54 PHE HA H 54 4.680 5.151 -0.471 1
1 672 . 16 1 1 A 55 55 GLU N N 55 117.600 122.599 -4.999 1
1 673 . 16 1 1 A 55 55 GLU CA C 55 53.537 56.467 -2.930 1
1 674 . 16 1 1 A 55 55 GLU CB C 55 33.241 32.359 0.882 1
1 676 . 16 1 1 A 55 55 GLU C C 55 176.694 174.934 1.760 1
1 677 . 16 1 1 A 55 55 GLU H H 55 8.309 8.831 -0.522 1
1 678 . 16 1 1 A 55 55 GLU HA H 55 5.690 5.470 0.220 1
1 683 . 16 1 1 A 56 56 THR N N 56 111.700 118.484 -6.784 1
1 684 . 16 1 1 A 56 56 THR CA C 56 60.989 60.904 0.085 1
1 685 . 16 1 1 A 56 56 THR CB C 56 71.860 70.451 1.409 1
1 687 . 16 1 1 A 56 56 THR C C 56 174.385 173.516 0.869 1
1 688 . 16 1 1 A 56 56 THR H H 56 8.775 8.937 -0.162 1
1 689 . 16 1 1 A 56 56 THR HA H 56 4.838 5.033 -0.195 1
1 692 . 16 1 1 A 57 57 LYS N N 57 119.500 125.393 -5.893 1
1 693 . 16 1 1 A 57 57 LYS CA C 57 56.775 55.066 1.709 1
1 694 . 16 1 1 A 57 57 LYS CB C 57 32.743 33.293 -0.550 1
1 698 . 16 1 1 A 57 57 LYS H H 57 9.787 8.773 1.014 1
1 699 . 16 1 1 A 57 57 LYS HA H 57 4.151 4.858 -0.707 1
1 700 . 16 1 1 A 57 57 LYS C C 57 177.417 174.857 2.560 1
1 709 . 16 1 1 A 58 58 VAL N N 58 123.100 126.852 -3.752 1
1 710 . 16 1 1 A 58 58 VAL CA C 58 61.870 60.622 1.248 1
1 711 . 16 1 1 A 58 58 VAL CB C 58 32.081 33.065 -0.984 1
1 714 . 16 1 1 A 58 58 VAL C C 58 176.850 173.803 3.047 1
1 715 . 16 1 1 A 58 58 VAL H H 58 8.120 8.822 -0.702 1
1 716 . 16 1 1 A 58 58 VAL HA H 58 4.284 4.627 -0.343 1
1 724 . 16 1 1 A 59 59 HIS N N 59 128.800 128.345 0.455 1
1 725 . 16 1 1 A 59 59 HIS CA C 59 54.311 54.174 0.137 1
1 726 . 16 1 1 A 59 59 HIS CB C 59 30.426 30.076 0.350 1
1 727 . 16 1 1 A 59 59 HIS C C 59 172.101 173.768 -1.667 1
1 728 . 16 1 1 A 59 59 HIS H H 59 8.550 8.876 -0.326 1
1 729 . 16 1 1 A 59 59 HIS HA H 59 4.457 5.006 -0.549 1
1 732 . 16 1 1 A 60 60 ARG N N 60 118.700 123.143 -4.443 1
1 733 . 16 1 1 A 60 60 ARG CA C 60 55.702 56.319 -0.617 1
1 734 . 16 1 1 A 60 60 ARG CB C 60 30.713 30.374 0.339 1
1 737 . 16 1 1 A 60 60 ARG C C 60 176.252 176.032 0.220 1
1 738 . 16 1 1 A 60 60 ARG H H 60 8.211 8.405 -0.194 1
1 739 . 16 1 1 A 60 60 ARG HA H 60 4.389 5.163 -0.774 1
1 746 . 16 1 1 A 61 61 LYS N N 61 122.500 117.986 4.514 1
1 747 . 16 1 1 A 61 61 LYS CA C 61 55.977 57.146 -1.169 1
1 748 . 16 1 1 A 61 61 LYS CB C 61 29.711 29.508 0.203 1
1 752 . 16 1 1 A 61 61 LYS H H 61 9.608 8.792 0.816 1
1 753 . 16 1 1 A 61 61 LYS HA H 61 3.946 3.822 0.124 1
1 754 . 16 1 1 A 61 61 LYS C C 61 175.083 175.027 0.056 1
1 763 . 16 1 1 A 62 62 THR N N 62 113.400 108.935 4.465 1
1 764 . 16 1 1 A 62 62 THR CA C 62 59.755 60.363 -0.608 1
1 765 . 16 1 1 A 62 62 THR CB C 62 63.417 71.545 -8.128 1
1 767 . 16 1 1 A 62 62 THR C C 62 170.120 173.738 -3.618 1
1 768 . 16 1 1 A 62 62 THR H H 62 8.470 7.335 1.135 1
1 769 . 16 1 1 A 62 62 THR HA H 62 4.703 4.729 -0.026 1
1 772 . 16 1 1 A 63 63 LEU N N 63 123.100 124.055 -0.955 1
1 773 . 16 1 1 A 63 63 LEU CA C 63 52.833 55.116 -2.283 1
1 774 . 16 1 1 A 63 63 LEU CB C 63 40.311 41.634 -1.323 1
1 778 . 16 1 1 A 63 63 LEU C C 63 175.135 176.703 -1.568 1
1 779 . 16 1 1 A 63 63 LEU H H 63 8.257 8.682 -0.425 1
1 780 . 16 1 1 A 63 63 LEU HA H 63 4.483 4.385 0.098 1
1 790 . 16 1 1 A 64 64 ASN N N 64 114.829 118.138 -3.309 1
1 792 . 16 1 1 A 64 64 ASN CA C 64 50.610 50.244 0.366 1
1 793 . 16 1 1 A 64 64 ASN CB C 64 40.550 39.123 1.427 1
1 794 . 16 1 1 A 64 64 ASN C C 64 171.500 173.333 -1.833 1
1 795 . 16 1 1 A 64 64 ASN H H 64 8.306 8.024 0.282 1
1 796 . 16 1 1 A 64 64 ASN HA H 64 5.450 5.148 0.302 1
1 801 . 16 1 1 A 65 65 PRO CA C 65 61.914 62.212 -0.298 1
1 802 . 16 1 1 A 65 65 PRO CB C 65 30.780 32.094 -1.314 1
1 805 . 16 1 1 A 65 65 PRO C C 65 173.852 175.896 -2.044 1
1 806 . 16 1 1 A 65 65 PRO HA H 65 3.970 4.800 -0.830 1
1 813 . 16 1 1 A 66 66 VAL N N 66 121.000 121.748 -0.748 1
1 814 . 16 1 1 A 66 66 VAL CA C 66 61.782 60.058 1.724 1
1 815 . 16 1 1 A 66 66 VAL CB C 66 32.721 34.302 -1.581 1
1 818 . 16 1 1 A 66 66 VAL C C 66 175.152 175.417 -0.265 1
1 819 . 16 1 1 A 66 66 VAL H H 66 7.926 8.352 -0.426 1
1 820 . 16 1 1 A 66 66 VAL HA H 66 3.807 4.656 -0.849 1
1 828 . 16 1 1 A 67 67 PHE N N 67 123.400 128.117 -4.717 1
1 829 . 16 1 1 A 67 67 PHE CA C 67 59.262 60.827 -1.565 1
1 830 . 16 1 1 A 67 67 PHE CB C 67 39.849 39.552 0.297 1
1 831 . 16 1 1 A 67 67 PHE C C 67 175.748 176.079 -0.331 1
1 832 . 16 1 1 A 67 67 PHE H H 67 8.150 9.526 -1.376 1
1 833 . 16 1 1 A 67 67 PHE HA H 67 4.378 4.681 -0.303 1
1 836 . 16 1 1 A 68 68 ASN N N 68 117.500 116.476 1.024 1
1 837 . 16 1 1 A 68 68 ASN CA C 68 53.983 53.967 0.016 1
1 838 . 16 1 1 A 68 68 ASN CB C 68 37.351 36.249 1.102 1
1 839 . 16 1 1 A 68 68 ASN C C 68 173.314 174.910 -1.596 1
1 840 . 16 1 1 A 68 68 ASN H H 68 8.920 8.896 0.024 1
1 841 . 16 1 1 A 68 68 ASN HA H 68 4.350 4.834 -0.484 1
1 847 . 16 1 1 A 69 69 GLU N N 69 116.000 120.977 -4.977 1
1 848 . 16 1 1 A 69 69 GLU CA C 69 55.742 54.826 0.916 1
1 849 . 16 1 1 A 69 69 GLU CB C 69 34.663 32.427 2.236 1
1 851 . 16 1 1 A 69 69 GLU C C 69 174.165 174.869 -0.704 1
1 852 . 16 1 1 A 69 69 GLU H H 69 7.931 7.964 -0.033 1
1 853 . 16 1 1 A 69 69 GLU HA H 69 4.638 4.904 -0.266 1
1 858 . 16 1 1 A 70 70 GLN N N 70 121.500 124.235 -2.735 1
1 860 . 16 1 1 A 70 70 GLN CA C 70 53.807 55.737 -1.930 1
1 861 . 16 1 1 A 70 70 GLN CB C 70 31.750 29.115 2.635 1
1 863 . 16 1 1 A 70 70 GLN C C 70 173.068 174.758 -1.690 1
1 864 . 16 1 1 A 70 70 GLN H H 70 8.174 8.454 -0.280 1
1 865 . 16 1 1 A 70 70 GLN HA H 70 4.985 4.867 0.118 1
1 872 . 16 1 1 A 71 71 PHE N N 71 124.300 123.912 0.388 1
1 873 . 16 1 1 A 71 71 PHE CA C 71 55.249 56.494 -1.245 1
1 874 . 16 1 1 A 71 71 PHE CB C 71 42.133 38.434 3.699 1
1 875 . 16 1 1 A 71 71 PHE C C 71 173.570 175.099 -1.529 1
1 876 . 16 1 1 A 71 71 PHE H H 71 9.040 9.542 -0.502 1
1 877 . 16 1 1 A 71 71 PHE HA H 71 4.528 4.797 -0.269 1
1 880 . 16 1 1 A 72 72 THR N N 72 114.000 119.068 -5.068 1
1 881 . 16 1 1 A 72 72 THR CA C 72 59.491 63.530 -4.039 1
1 882 . 16 1 1 A 72 72 THR CB C 72 70.623 68.897 1.726 1
1 884 . 16 1 1 A 72 72 THR C C 72 172.834 173.761 -0.927 1
1 885 . 16 1 1 A 72 72 THR H H 72 7.763 8.238 -0.475 1
1 886 . 16 1 1 A 72 72 THR HA H 72 5.212 4.135 1.077 1
1 889 . 16 1 1 A 73 73 PHE N N 73 120.900 126.259 -5.359 1
1 890 . 16 1 1 A 73 73 PHE CA C 73 56.071 56.140 -0.069 1
1 891 . 16 1 1 A 73 73 PHE CB C 73 41.570 40.466 1.104 1
1 892 . 16 1 1 A 73 73 PHE C C 73 174.890 174.502 0.388 1
1 893 . 16 1 1 A 73 73 PHE H H 73 8.983 9.238 -0.255 1
1 894 . 16 1 1 A 73 73 PHE HA H 73 4.750 5.028 -0.278 1
1 897 . 16 1 1 A 74 74 LYS N N 74 127.500 125.377 2.123 1
1 898 . 16 1 1 A 74 74 LYS CA C 74 56.186 55.552 0.634 1
1 899 . 16 1 1 A 74 74 LYS CB C 74 30.577 30.926 -0.349 1
1 903 . 16 1 1 A 74 74 LYS C C 74 174.575 175.435 -0.860 1
1 904 . 16 1 1 A 74 74 LYS H H 74 9.063 8.777 0.286 1
1 905 . 16 1 1 A 74 74 LYS HA H 74 4.690 4.408 0.282 1
1 914 . 16 1 1 A 75 75 VAL N N 75 126.600 124.255 2.345 1
1 915 . 16 1 1 A 75 75 VAL CA C 75 57.737 58.389 -0.652 1
1 916 . 16 1 1 A 75 75 VAL CB C 75 35.160 35.181 -0.021 1
1 919 . 16 1 1 A 75 75 VAL C C 75 171.500 173.860 -2.360 1
1 920 . 16 1 1 A 75 75 VAL H H 75 7.546 8.374 -0.828 1
1 921 . 16 1 1 A 75 75 VAL HA H 75 4.650 4.632 0.018 1
1 929 . 16 1 1 A 76 76 PRO CA C 76 62.476 62.710 -0.234 1
1 930 . 16 1 1 A 76 76 PRO CB C 76 32.143 32.742 -0.599 1
1 933 . 16 1 1 A 76 76 PRO C C 76 176.991 177.087 -0.096 1
1 934 . 16 1 1 A 76 76 PRO HA H 76 4.329 4.620 -0.291 1
1 941 . 16 1 1 A 77 77 TYR N N 77 128.500 124.726 3.774 1
1 942 . 16 1 1 A 77 77 TYR CA C 77 61.772 60.578 1.194 1
1 943 . 16 1 1 A 77 77 TYR CB C 77 37.898 37.408 0.490 1
1 944 . 16 1 1 A 77 77 TYR C C 77 177.516 177.052 0.464 1
1 945 . 16 1 1 A 77 77 TYR H H 77 8.626 8.997 -0.371 1
1 946 . 16 1 1 A 77 77 TYR HA H 77 3.403 4.158 -0.755 1
1 950 . 16 1 1 A 78 78 SER N N 78 110.600 116.374 -5.774 1
1 951 . 16 1 1 A 78 78 SER H H 78 8.509 7.717 0.792 1
1 952 . 16 1 1 A 78 78 SER CA C 78 60.064 60.920 -0.856 1
1 953 . 16 1 1 A 78 78 SER CB C 78 62.022 62.136 -0.114 1
1 954 . 16 1 1 A 78 78 SER C C 78 175.292 176.516 -1.224 1
1 955 . 16 1 1 A 78 78 SER HA H 78 3.940 4.075 -0.135 1
1 958 . 16 1 1 A 79 79 GLU N N 79 119.000 121.121 -2.121 1
1 959 . 16 1 1 A 79 79 GLU CA C 79 55.273 58.577 -3.304 1
1 960 . 16 1 1 A 79 79 GLU CB C 79 30.302 29.433 0.869 1
1 962 . 16 1 1 A 79 79 GLU C C 79 177.218 178.752 -1.534 1
1 963 . 16 1 1 A 79 79 GLU H H 79 7.411 7.566 -0.155 1
1 964 . 16 1 1 A 79 79 GLU HA H 79 4.280 4.080 0.200 1
1 969 . 16 1 1 A 80 80 LEU N N 80 121.600 121.270 0.330 1
1 970 . 16 1 1 A 80 80 LEU CA C 80 57.376 57.797 -0.421 1
1 971 . 16 1 1 A 80 80 LEU CB C 80 41.916 41.738 0.178 1
1 975 . 16 1 1 A 80 80 LEU C C 80 177.098 178.497 -1.399 1
1 976 . 16 1 1 A 80 80 LEU H H 80 7.311 7.911 -0.600 1
1 977 . 16 1 1 A 80 80 LEU HA H 80 3.643 4.033 -0.390 1
1 987 . 16 1 1 A 81 81 GLY N N 81 102.900 106.652 -3.752 1
1 988 . 16 1 1 A 81 81 GLY CA C 81 46.638 47.242 -0.604 1
1 989 . 16 1 1 A 81 81 GLY C C 81 174.240 176.551 -2.311 1
1 990 . 16 1 1 A 81 81 GLY H H 81 7.860 8.304 -0.444 1
1 991 . 16 1 1 A 81 81 GLY HA3 H 81 3.744 3.742 0.002 1
1 992 . 16 1 1 A 81 81 GLY HA2 H 81 3.434 3.730 -0.296 1
1 993 . 16 1 1 A 82 82 GLY N N 82 105.900 108.580 -2.680 1
1 994 . 16 1 1 A 82 82 GLY CA C 82 44.289 47.023 -2.734 1
1 995 . 16 1 1 A 82 82 GLY C C 82 174.591 174.570 0.021 1
1 996 . 16 1 1 A 82 82 GLY H H 82 7.396 7.748 -0.352 1
1 997 . 16 1 1 A 82 82 GLY HA3 H 82 4.267 3.899 0.368 1
1 998 . 16 1 1 A 82 82 GLY HA2 H 82 3.760 3.899 -0.139 1
1 999 . 16 1 1 A 83 83 LYS N N 83 119.000 119.092 -0.092 1
1 1000 . 16 1 1 A 83 83 LYS CA C 83 53.818 55.058 -1.240 1
1 1001 . 16 1 1 A 83 83 LYS CB C 83 33.814 33.407 0.407 1
1 1005 . 16 1 1 A 83 83 LYS H H 83 7.888 7.706 0.182 1
1 1006 . 16 1 1 A 83 83 LYS HA H 83 4.366 4.686 -0.320 1
1 1007 . 16 1 1 A 83 83 LYS C C 83 176.518 175.872 0.646 1
1 1015 . 16 1 1 A 84 84 THR N N 84 118.500 113.158 5.342 1
1 1016 . 16 1 1 A 84 84 THR CA C 84 61.914 60.522 1.392 1
1 1017 . 16 1 1 A 84 84 THR CB C 84 71.340 71.437 -0.097 1
1 1019 . 16 1 1 A 84 84 THR C C 84 171.750 173.103 -1.353 1
1 1020 . 16 1 1 A 84 84 THR H H 84 8.248 8.972 -0.724 1
1 1021 . 16 1 1 A 84 84 THR HA H 84 4.638 5.308 -0.670 1
1 1024 . 16 1 1 A 85 85 LEU N N 85 130.500 126.276 4.224 1
1 1025 . 16 1 1 A 85 85 LEU CA C 85 53.982 54.121 -0.139 1
1 1026 . 16 1 1 A 85 85 LEU CB C 85 43.826 41.832 1.994 1
1 1030 . 16 1 1 A 85 85 LEU C C 85 173.417 176.529 -3.112 1
1 1031 . 16 1 1 A 85 85 LEU H H 85 8.430 8.669 -0.239 1
1 1032 . 16 1 1 A 85 85 LEU HA H 85 4.417 4.688 -0.271 1
1 1042 . 16 1 1 A 86 86 VAL N N 86 127.723 120.263 7.460 1
1 1043 . 16 1 1 A 86 86 VAL CA C 86 61.206 59.878 1.328 1
1 1044 . 16 1 1 A 86 86 VAL CB C 86 31.856 34.322 -2.466 1
1 1047 . 16 1 1 A 86 86 VAL C C 86 173.599 174.092 -0.493 1
1 1048 . 16 1 1 A 86 86 VAL H H 86 8.771 8.993 -0.222 1
1 1049 . 16 1 1 A 86 86 VAL HA H 86 4.151 4.868 -0.717 1
1 1057 . 16 1 1 A 87 87 MET N N 87 122.600 124.094 -1.494 1
1 1058 . 16 1 1 A 87 87 MET CA C 87 53.654 54.028 -0.374 1
1 1059 . 16 1 1 A 87 87 MET CB C 87 31.288 35.801 -4.513 1
1 1061 . 16 1 1 A 87 87 MET C C 87 172.749 174.481 -1.732 1
1 1062 . 16 1 1 A 87 87 MET H H 87 7.503 8.562 -1.059 1
1 1063 . 16 1 1 A 87 87 MET HA H 87 4.706 5.163 -0.457 1
1 1068 . 16 1 1 A 88 88 ALA N N 88 124.200 126.791 -2.591 1
1 1069 . 16 1 1 A 88 88 ALA CA C 88 50.017 50.866 -0.849 1
1 1070 . 16 1 1 A 88 88 ALA CB C 88 23.107 21.375 1.732 1
1 1071 . 16 1 1 A 88 88 ALA C C 88 174.558 176.185 -1.627 1
1 1072 . 16 1 1 A 88 88 ALA H H 88 8.755 8.713 0.042 1
1 1073 . 16 1 1 A 88 88 ALA HA H 88 4.948 5.119 -0.171 1
1 1077 . 16 1 1 A 89 89 VAL N N 89 122.900 121.792 1.108 1
1 1078 . 16 1 1 A 89 89 VAL CA C 89 60.881 61.735 -0.854 1
1 1079 . 16 1 1 A 89 89 VAL CB C 89 31.541 32.556 -1.015 1
1 1082 . 16 1 1 A 89 89 VAL C C 89 173.707 174.767 -1.060 1
1 1083 . 16 1 1 A 89 89 VAL H H 89 8.813 8.428 0.385 1
1 1084 . 16 1 1 A 89 89 VAL HA H 89 4.652 4.597 0.055 1
1 1092 . 16 1 1 A 90 90 TYR N N 90 128.400 127.154 1.246 1
1 1093 . 16 1 1 A 90 90 TYR CA C 90 56.230 55.992 0.238 1
1 1094 . 16 1 1 A 90 90 TYR CB C 90 43.211 41.679 1.532 1
1 1095 . 16 1 1 A 90 90 TYR C C 90 173.024 173.167 -0.143 1
1 1096 . 16 1 1 A 90 90 TYR H H 90 9.067 9.338 -0.271 1
1 1097 . 16 1 1 A 90 90 TYR HA H 90 4.766 5.116 -0.350 1
1 1101 . 16 1 1 A 91 91 ASP N N 91 116.300 129.190 -12.890 1
1 1102 . 16 1 1 A 91 91 ASP CA C 91 51.800 52.646 -0.846 1
1 1103 . 16 1 1 A 91 91 ASP CB C 91 42.265 42.638 -0.373 1
1 1104 . 16 1 1 A 91 91 ASP C C 91 175.823 175.576 0.247 1
1 1105 . 16 1 1 A 91 91 ASP H H 91 8.700 8.003 0.697 1
1 1106 . 16 1 1 A 91 91 ASP HA H 91 5.098 5.199 -0.101 1
1 1109 . 16 1 1 A 92 92 PHE N N 92 128.100 128.010 0.090 1
1 1110 . 16 1 1 A 92 92 PHE CA C 92 58.830 57.060 1.770 1
1 1111 . 16 1 1 A 92 92 PHE CB C 92 31.850 39.344 -7.494 1
1 1112 . 16 1 1 A 92 92 PHE C C 92 173.437 175.687 -2.250 1
1 1113 . 16 1 1 A 92 92 PHE H H 92 9.540 8.865 0.675 1
1 1114 . 16 1 1 A 92 92 PHE HA H 92 4.480 4.871 -0.391 1
1 1117 . 16 1 1 A 93 93 ASP N N 93 122.100 127.857 -5.757 1
1 1118 . 16 1 1 A 93 93 ASP CA C 93 53.701 53.744 -0.043 1
1 1119 . 16 1 1 A 93 93 ASP CB C 93 41.736 40.907 0.829 1
1 1120 . 16 1 1 A 93 93 ASP C C 93 175.548 175.440 0.108 1
1 1121 . 16 1 1 A 93 93 ASP H H 93 7.812 8.906 -1.094 1
1 1122 . 16 1 1 A 93 93 ASP HA H 93 4.480 4.786 -0.306 1
1 1125 . 16 1 1 A 94 94 ARG N N 94 121.500 115.919 5.581 1
1 1126 . 16 1 1 A 94 94 ARG CA C 94 56.142 57.870 -1.728 1
1 1127 . 16 1 1 A 94 94 ARG CB C 94 30.173 28.072 2.101 1
1 1129 . 16 1 1 A 94 94 ARG C C 94 175.795 175.111 0.684 1
1 1130 . 16 1 1 A 94 94 ARG H H 94 8.264 7.483 0.781 1
1 1131 . 16 1 1 A 94 94 ARG HA H 94 4.000 3.665 0.335 1
1 1138 . 16 1 1 A 95 95 PHE N N 95 118.600 120.129 -1.529 1
1 1139 . 16 1 1 A 95 95 PHE CA C 95 59.850 59.401 0.449 1
1 1140 . 16 1 1 A 95 95 PHE CB C 95 38.955 41.150 -2.195 1
1 1141 . 16 1 1 A 95 95 PHE C C 95 172.969 174.958 -1.989 1
1 1142 . 16 1 1 A 95 95 PHE H H 95 6.889 8.680 -1.791 1
1 1143 . 16 1 1 A 95 95 PHE HA H 95 4.373 4.874 -0.501 1
1 1146 . 16 1 1 A 96 96 SER N N 96 114.200 111.324 2.876 1
1 1147 . 16 1 1 A 96 96 SER H H 96 8.027 7.753 0.274 1
1 1148 . 16 1 1 A 96 96 SER CA C 96 57.596 57.842 -0.246 1
1 1149 . 16 1 1 A 96 96 SER CB C 96 63.494 65.239 -1.745 1
1 1150 . 16 1 1 A 96 96 SER C C 96 174.149 173.973 0.176 1
1 1151 . 16 1 1 A 96 96 SER HA H 96 4.220 4.394 -0.174 1
1 1154 . 16 1 1 A 97 97 LYS N N 97 121.600 120.628 0.972 1
1 1155 . 16 1 1 A 97 97 LYS CA C 97 58.206 56.041 2.165 1
1 1156 . 16 1 1 A 97 97 LYS CB C 97 31.860 32.510 -0.650 1
1 1159 . 16 1 1 A 97 97 LYS H H 97 8.264 8.491 -0.227 1
1 1160 . 16 1 1 A 97 97 LYS HA H 97 4.202 4.105 0.097 1
1 1161 . 16 1 1 A 97 97 LYS C C 97 175.599 176.530 -0.931 1
1 1170 . 16 1 1 A 98 98 HIS N N 98 119.000 122.124 -3.124 1
1 1171 . 16 1 1 A 98 98 HIS CA C 98 54.159 55.451 -1.292 1
1 1172 . 16 1 1 A 98 98 HIS CB C 98 30.040 30.160 -0.120 1
1 1173 . 16 1 1 A 98 98 HIS C C 98 174.050 174.552 -0.502 1
1 1174 . 16 1 1 A 98 98 HIS H H 98 8.350 7.990 0.360 1
1 1175 . 16 1 1 A 98 98 HIS HA H 98 4.784 4.966 -0.182 1
1 1178 . 16 1 1 A 99 99 ASP N N 99 122.600 125.642 -3.042 1
1 1179 . 16 1 1 A 99 99 ASP CA C 99 53.806 54.148 -0.342 1
1 1180 . 16 1 1 A 99 99 ASP CB C 99 41.074 41.913 -0.839 1
1 1181 . 16 1 1 A 99 99 ASP C C 99 174.346 175.451 -1.105 1
1 1182 . 16 1 1 A 99 99 ASP H H 99 8.812 8.736 0.076 1
1 1183 . 16 1 1 A 99 99 ASP HA H 99 4.781 4.736 0.045 1
1 1186 . 16 1 1 A 100 100 ILE N N 100 122.400 124.876 -2.476 1
1 1187 . 16 1 1 A 100 100 ILE CA C 100 60.989 62.514 -1.525 1
1 1188 . 16 1 1 A 100 100 ILE CB C 100 38.823 38.944 -0.121 1
1 1192 . 16 1 1 A 100 100 ILE C C 100 174.431 176.940 -2.509 1
1 1193 . 16 1 1 A 100 100 ILE H H 100 8.075 8.239 -0.164 1
1 1194 . 16 1 1 A 100 100 ILE HA H 100 3.405 3.561 -0.156 1
1 1204 . 16 1 1 A 101 101 ILE N N 101 127.400 125.232 2.168 1
1 1205 . 16 1 1 A 101 101 ILE CA C 101 63.380 63.474 -0.094 1
1 1206 . 16 1 1 A 101 101 ILE CB C 101 38.058 38.124 -0.066 1
1 1210 . 16 1 1 A 101 101 ILE C C 101 175.859 176.225 -0.366 1
1 1211 . 16 1 1 A 101 101 ILE H H 101 9.219 8.195 1.024 1
1 1212 . 16 1 1 A 101 101 ILE HA H 101 3.869 3.940 -0.071 1
1 1219 . 16 1 1 A 102 102 GLY N N 102 101.500 109.544 -8.044 1
1 1220 . 16 1 1 A 102 102 GLY CA C 102 45.259 45.856 -0.597 1
1 1221 . 16 1 1 A 102 102 GLY C C 102 169.614 171.086 -1.472 1
1 1222 . 16 1 1 A 102 102 GLY H H 102 7.241 7.470 -0.229 1
1 1223 . 16 1 1 A 102 102 GLY HA3 H 102 4.024 4.059 -0.035 1
1 1224 . 16 1 1 A 102 102 GLY HA2 H 102 3.811 4.054 -0.243 1
1 1225 . 16 1 1 A 103 103 GLU N N 103 117.100 117.263 -0.163 1
1 1226 . 16 1 1 A 103 103 GLU CA C 103 54.229 55.170 -0.941 1
1 1227 . 16 1 1 A 103 103 GLU CB C 103 34.012 33.329 0.683 1
1 1229 . 16 1 1 A 103 103 GLU C C 103 173.993 174.601 -0.608 1
1 1230 . 16 1 1 A 103 103 GLU H H 103 9.499 9.441 0.058 1
1 1231 . 16 1 1 A 103 103 GLU HA H 103 5.513 5.404 0.109 1
1 1236 . 16 1 1 A 104 104 PHE N N 104 115.900 117.412 -1.512 1
1 1237 . 16 1 1 A 104 104 PHE CA C 104 58.037 55.673 2.364 1
1 1238 . 16 1 1 A 104 104 PHE CB C 104 41.030 42.774 -1.744 1
1 1239 . 16 1 1 A 104 104 PHE C C 104 171.749 172.630 -0.881 1
1 1240 . 16 1 1 A 104 104 PHE H H 104 8.525 9.096 -0.571 1
1 1241 . 16 1 1 A 104 104 PHE HA H 104 4.731 5.470 -0.739 1
1 1244 . 16 1 1 A 105 105 LYS N N 105 118.900 119.660 -0.760 1
1 1245 . 16 1 1 A 105 105 LYS CA C 105 53.771 54.809 -1.038 1
1 1246 . 16 1 1 A 105 105 LYS CB C 105 34.953 35.057 -0.104 1
1 1250 . 16 1 1 A 105 105 LYS H H 105 7.805 8.835 -1.030 1
1 1251 . 16 1 1 A 105 105 LYS HA H 105 5.188 5.021 0.167 1
1 1252 . 16 1 1 A 105 105 LYS C C 105 175.389 175.045 0.344 1
1 1261 . 16 1 1 A 106 106 VAL N N 106 121.400 121.487 -0.087 1
1 1262 . 16 1 1 A 106 106 VAL CA C 106 58.522 58.965 -0.443 1
1 1263 . 16 1 1 A 106 106 VAL CB C 106 34.050 33.384 0.666 1
1 1266 . 16 1 1 A 106 106 VAL C C 106 173.300 173.860 -0.560 1
1 1267 . 16 1 1 A 106 106 VAL H H 106 9.276 9.183 0.093 1
1 1268 . 16 1 1 A 106 106 VAL HA H 106 4.430 4.727 -0.297 1
1 1276 . 16 1 1 A 107 107 PRO CA C 107 62.265 62.596 -0.331 1
1 1277 . 16 1 1 A 107 107 PRO CB C 107 31.157 31.772 -0.615 1
1 1280 . 16 1 1 A 107 107 PRO C C 107 178.967 178.436 0.531 1
1 1281 . 16 1 1 A 107 107 PRO HA H 107 4.703 4.722 -0.019 1
1 1288 . 16 1 1 A 108 108 MET N N 108 126.300 124.848 1.452 1
1 1289 . 16 1 1 A 108 108 MET CA C 108 56.728 57.693 -0.965 1
1 1290 . 16 1 1 A 108 108 MET CB C 108 32.909 32.277 0.632 1
1 1292 . 16 1 1 A 108 108 MET C C 108 176.858 178.422 -1.564 1
1 1293 . 16 1 1 A 108 108 MET H H 108 8.716 8.498 0.218 1
1 1294 . 16 1 1 A 108 108 MET HA H 108 4.483 4.358 0.125 1
1 1299 . 16 1 1 A 109 109 ASN N N 109 115.600 117.310 -1.710 1
1 1300 . 16 1 1 A 109 109 ASN CA C 109 53.983 56.026 -2.043 1
1 1301 . 16 1 1 A 109 109 ASN CB C 109 36.227 38.137 -1.910 1
1 1302 . 16 1 1 A 109 109 ASN C C 109 175.789 176.788 -0.999 1
1 1303 . 16 1 1 A 109 109 ASN H H 109 8.342 8.312 0.030 1
1 1304 . 16 1 1 A 109 109 ASN HA H 109 4.564 4.526 0.038 1
1 1310 . 16 1 1 A 110 110 THR N N 110 107.600 110.685 -3.085 1
1 1311 . 16 1 1 A 110 110 THR CA C 110 61.115 63.511 -2.396 1
1 1312 . 16 1 1 A 110 110 THR CB C 110 62.929 70.103 -7.174 1
1 1314 . 16 1 1 A 110 110 THR C C 110 173.508 174.416 -0.908 1
1 1315 . 16 1 1 A 110 110 THR H H 110 7.522 7.651 -0.129 1
1 1316 . 16 1 1 A 110 110 THR HA H 110 4.461 4.408 0.053 1
1 1319 . 16 1 1 A 111 111 VAL N N 111 123.700 120.113 3.587 1
1 1320 . 16 1 1 A 111 111 VAL CA C 111 61.782 61.880 -0.098 1
1 1321 . 16 1 1 A 111 111 VAL CB C 111 32.821 32.581 0.240 1
1 1324 . 16 1 1 A 111 111 VAL C C 111 173.903 174.772 -0.869 1
1 1325 . 16 1 1 A 111 111 VAL H H 111 6.960 7.264 -0.304 1
1 1326 . 16 1 1 A 111 111 VAL HA H 111 3.703 4.169 -0.466 1
1 1334 . 16 1 1 A 112 112 ASP N N 112 125.800 127.991 -2.191 1
1 1335 . 16 1 1 A 112 112 ASP CA C 112 51.777 53.296 -1.519 1
1 1336 . 16 1 1 A 112 112 ASP CB C 112 40.648 40.848 -0.200 1
1 1337 . 16 1 1 A 112 112 ASP C C 112 175.407 175.176 0.231 1
1 1338 . 16 1 1 A 112 112 ASP H H 112 8.341 8.913 -0.572 1
1 1339 . 16 1 1 A 112 112 ASP HA H 112 4.719 4.833 -0.114 1
1 1342 . 16 1 1 A 113 113 PHE N N 113 122.700 125.656 -2.956 1
1 1343 . 16 1 1 A 113 113 PHE CA C 113 59.887 55.947 3.940 1
1 1344 . 16 1 1 A 113 113 PHE CB C 113 37.999 36.542 1.457 1
1 1345 . 16 1 1 A 113 113 PHE C C 113 175.854 176.349 -0.495 1
1 1346 . 16 1 1 A 113 113 PHE H H 113 8.391 8.834 -0.443 1
1 1347 . 16 1 1 A 113 113 PHE HA H 113 4.670 4.724 -0.054 1
1 1350 . 16 1 1 A 114 114 GLY N N 114 108.608 109.935 -1.327 1
1 1351 . 16 1 1 A 114 114 GLY CA C 114 45.657 47.244 -1.587 1
1 1352 . 16 1 1 A 114 114 GLY C C 114 172.963 175.607 -2.644 1
1 1353 . 16 1 1 A 114 114 GLY H H 114 8.953 8.269 0.684 1
1 1354 . 16 1 1 A 114 114 GLY HA3 H 114 4.018 3.732 0.286 1
1 1355 . 16 1 1 A 114 114 GLY HA2 H 114 3.912 3.685 0.227 1
1 1356 . 16 1 1 A 115 115 HIS N N 115 114.926 120.861 -5.935 1
1 1357 . 16 1 1 A 115 115 HIS CA C 115 53.533 56.601 -3.068 1
1 1358 . 16 1 1 A 115 115 HIS CB C 115 30.349 30.018 0.331 1
1 1359 . 16 1 1 A 115 115 HIS C C 115 172.453 173.289 -0.836 1
1 1360 . 16 1 1 A 115 115 HIS H H 115 7.510 8.133 -0.623 1
1 1361 . 16 1 1 A 115 115 HIS HA H 115 4.868 4.893 -0.025 1
1 1364 . 16 1 1 A 116 116 VAL N N 116 122.100 121.139 0.961 1
1 1365 . 16 1 1 A 116 116 VAL CA C 116 62.992 59.344 3.648 1
1 1366 . 16 1 1 A 116 116 VAL CB C 116 31.850 34.504 -2.654 1
1 1369 . 16 1 1 A 116 116 VAL C C 116 176.352 173.507 2.845 1
1 1370 . 16 1 1 A 116 116 VAL H H 116 8.460 8.355 0.105 1
1 1371 . 16 1 1 A 116 116 VAL HA H 116 4.268 4.890 -0.622 1
1 1379 . 16 1 1 A 117 117 THR N N 117 124.700 123.820 0.880 1
1 1380 . 16 1 1 A 117 117 THR CA C 117 61.694 62.084 -0.390 1
1 1381 . 16 1 1 A 117 117 THR CB C 117 70.001 68.275 1.726 1
1 1383 . 16 1 1 A 117 117 THR C C 117 172.762 173.789 -1.027 1
1 1384 . 16 1 1 A 117 117 THR H H 117 8.550 9.499 -0.949 1
1 1385 . 16 1 1 A 117 117 THR HA H 117 4.460 4.517 -0.057 1
1 1388 . 16 1 1 A 118 118 GLU N N 118 126.000 126.555 -0.555 1
1 1389 . 16 1 1 A 118 118 GLU CA C 118 55.038 55.053 -0.015 1
1 1390 . 16 1 1 A 118 118 GLU CB C 118 30.835 30.903 -0.068 1
1 1392 . 16 1 1 A 118 118 GLU C C 118 174.419 175.107 -0.688 1
1 1393 . 16 1 1 A 118 118 GLU H H 118 8.382 8.907 -0.525 1
1 1394 . 16 1 1 A 118 118 GLU HA H 118 4.776 4.889 -0.113 1
1 1399 . 16 1 1 A 119 119 GLU N N 119 123.000 120.766 2.234 1
1 1400 . 16 1 1 A 119 119 GLU CA C 119 54.292 54.736 -0.444 1
1 1401 . 16 1 1 A 119 119 GLU CB C 119 32.909 33.329 -0.420 1
1 1403 . 16 1 1 A 119 119 GLU C C 119 173.072 174.420 -1.348 1
1 1404 . 16 1 1 A 119 119 GLU H H 119 8.057 8.798 -0.741 1
1 1405 . 16 1 1 A 119 119 GLU HA H 119 4.631 4.424 0.207 1
1 1410 . 16 1 1 A 120 120 TRP N N 120 118.300 122.105 -3.805 1
1 1411 . 16 1 1 A 120 120 TRP C C 120 177.336 175.245 2.091 1
1 1412 . 16 1 1 A 120 120 TRP CA C 120 55.672 56.676 -1.004 1
1 1413 . 16 1 1 A 120 120 TRP CB C 120 31.259 29.563 1.696 1
1 1414 . 16 1 1 A 120 120 TRP H H 120 8.212 8.298 -0.086 1
1 1415 . 16 1 1 A 120 120 TRP HA H 120 5.322 5.060 0.262 1
1 1424 . 16 1 1 A 121 121 ARG N N 121 120.900 126.436 -5.536 1
1 1425 . 16 1 1 A 121 121 ARG CA C 121 53.631 53.801 -0.170 1
1 1426 . 16 1 1 A 121 121 ARG CB C 121 32.865 33.132 -0.267 1
1 1429 . 16 1 1 A 121 121 ARG C C 121 174.321 174.451 -0.130 1
1 1430 . 16 1 1 A 121 121 ARG H H 121 9.012 8.669 0.343 1
1 1431 . 16 1 1 A 121 121 ARG HA H 121 4.488 4.880 -0.392 1
1 1438 . 16 1 1 A 122 122 ASP N N 122 121.600 126.427 -4.827 1
1 1439 . 16 1 1 A 122 122 ASP CA C 122 53.795 53.214 0.581 1
1 1440 . 16 1 1 A 122 122 ASP CB C 122 40.544 42.590 -2.046 1
1 1441 . 16 1 1 A 122 122 ASP C C 122 176.041 175.227 0.814 1
1 1442 . 16 1 1 A 122 122 ASP H H 122 8.226 8.670 -0.444 1
1 1443 . 16 1 1 A 122 122 ASP HA H 122 4.791 5.041 -0.250 1
1 1446 . 16 1 1 A 123 123 LEU N N 123 120.700 126.417 -5.717 1
1 1447 . 16 1 1 A 123 123 LEU CA C 123 54.997 54.282 0.715 1
1 1448 . 16 1 1 A 123 123 LEU CB C 123 41.765 42.012 -0.247 1
1 1452 . 16 1 1 A 123 123 LEU C C 123 175.964 176.510 -0.546 1
1 1453 . 16 1 1 A 123 123 LEU H H 123 8.436 8.820 -0.384 1
1 1454 . 16 1 1 A 123 123 LEU HA H 123 4.125 4.850 -0.725 1
1 1464 . 16 1 1 A 124 124 GLN N N 124 119.200 124.829 -5.629 1
1 1466 . 16 1 1 A 124 124 GLN CA C 124 53.278 54.857 -1.579 1
1 1467 . 16 1 1 A 124 124 GLN CB C 124 31.232 30.488 0.744 1
1 1469 . 16 1 1 A 124 124 GLN C C 124 175.183 175.707 -0.524 1
1 1470 . 16 1 1 A 124 124 GLN H H 124 9.020 8.866 0.154 1
1 1471 . 16 1 1 A 124 124 GLN HA H 124 4.738 4.954 -0.216 1
1 1478 . 16 1 1 A 125 125 SER N N 125 115.300 118.842 -3.542 1
1 1479 . 16 1 1 A 125 125 SER H H 125 8.543 8.661 -0.118 1
1 1480 . 16 1 1 A 125 125 SER CA C 125 58.477 60.250 -1.773 1
1 1481 . 16 1 1 A 125 125 SER CB C 125 63.274 63.307 -0.033 1
1 1482 . 16 1 1 A 125 125 SER C C 125 174.609 174.435 0.174 1
1 1483 . 16 1 1 A 125 125 SER HA H 125 4.235 5.176 -0.941 1
1 1486 . 16 1 1 A 126 126 ALA N N 126 126.900 129.036 -2.136 1
1 1487 . 16 1 1 A 126 126 ALA CA C 126 51.636 50.227 1.409 1
1 1488 . 16 1 1 A 126 126 ALA CB C 126 19.845 21.000 -1.155 1
1 1489 . 16 1 1 A 126 126 ALA C C 126 176.876 176.722 0.154 1
1 1490 . 16 1 1 A 126 126 ALA H H 126 8.640 8.836 -0.196 1
1 1491 . 16 1 1 A 126 126 ALA HA H 126 4.216 5.185 -0.969 1
1 1495 . 16 1 1 A 127 127 GLU N N 127 120.600 122.700 -2.100 1
1 1496 . 16 1 1 A 127 127 GLU CA C 127 56.142 55.069 1.073 1
1 1497 . 16 1 1 A 127 127 GLU CB C 127 29.996 29.663 0.333 1
1 1499 . 16 1 1 A 127 127 GLU C C 127 175.129 175.088 0.041 1
1 1500 . 16 1 1 A 127 127 GLU H H 127 8.204 8.905 -0.701 1
1 1501 . 16 1 1 A 127 127 GLU HA H 127 4.176 4.561 -0.385 1
1 12 . 17 1 1 A 2 2 LYS N N 2 123.200 120.171 3.029 1
1 13 . 17 1 1 A 2 2 LYS CA C 2 55.550 56.771 -1.221 1
1 14 . 17 1 1 A 2 2 LYS CB C 2 31.730 30.787 0.943 1
1 18 . 17 1 1 A 2 2 LYS H H 2 8.320 8.840 -0.520 1
1 19 . 17 1 1 A 2 2 LYS C C 2 176.041 176.676 -0.635 1
1 20 . 17 1 1 A 2 2 LYS HA H 2 4.413 3.948 0.465 1
1 29 . 17 1 1 A 3 3 LEU N N 3 124.700 125.794 -1.094 1
1 30 . 17 1 1 A 3 3 LEU CA C 3 53.800 56.064 -2.264 1
1 31 . 17 1 1 A 3 3 LEU CB C 3 43.351 43.271 0.080 1
1 35 . 17 1 1 A 3 3 LEU C C 3 173.289 176.745 -3.456 1
1 36 . 17 1 1 A 3 3 LEU H H 3 8.319 7.833 0.486 1
1 37 . 17 1 1 A 3 3 LEU HA H 3 4.363 4.178 0.185 1
1 47 . 17 1 1 A 4 4 GLY N N 4 102.100 107.200 -5.100 1
1 48 . 17 1 1 A 4 4 GLY CA C 4 44.232 44.234 -0.002 1
1 49 . 17 1 1 A 4 4 GLY C C 4 174.476 172.914 1.562 1
1 50 . 17 1 1 A 4 4 GLY H H 4 7.412 7.776 -0.364 1
1 51 . 17 1 1 A 4 4 GLY HA3 H 4 4.367 4.040 0.327 1
1 52 . 17 1 1 A 4 4 GLY HA2 H 4 3.662 4.039 -0.377 1
1 53 . 17 1 1 A 5 5 LYS N N 5 114.993 120.371 -5.378 1
1 54 . 17 1 1 A 5 5 LYS CA C 5 54.807 54.478 0.329 1
1 55 . 17 1 1 A 5 5 LYS CB C 5 36.664 36.718 -0.054 1
1 59 . 17 1 1 A 5 5 LYS C C 5 173.762 174.832 -1.070 1
1 60 . 17 1 1 A 5 5 LYS H H 5 8.748 8.383 0.365 1
1 61 . 17 1 1 A 5 5 LYS HA H 5 5.333 5.141 0.192 1
1 70 . 17 1 1 A 6 6 LEU N N 6 122.195 121.795 0.400 1
1 71 . 17 1 1 A 6 6 LEU CA C 6 53.760 53.508 0.252 1
1 72 . 17 1 1 A 6 6 LEU CB C 6 47.948 44.606 3.342 1
1 76 . 17 1 1 A 6 6 LEU C C 6 172.524 175.010 -2.486 1
1 77 . 17 1 1 A 6 6 LEU H H 6 9.058 9.545 -0.487 1
1 78 . 17 1 1 A 6 6 LEU HA H 6 5.312 6.061 -0.749 1
1 88 . 17 1 1 A 7 7 GLN N N 7 127.800 126.945 0.855 1
1 90 . 17 1 1 A 7 7 GLN CA C 7 52.595 55.078 -2.483 1
1 91 . 17 1 1 A 7 7 GLN CB C 7 28.032 29.612 -1.580 1
1 93 . 17 1 1 A 7 7 GLN C C 7 173.707 175.604 -1.897 1
1 94 . 17 1 1 A 7 7 GLN H H 7 8.945 8.363 0.582 1
1 95 . 17 1 1 A 7 7 GLN HA H 7 5.170 5.251 -0.081 1
1 102 . 17 1 1 A 8 8 TYR N N 8 125.700 123.338 2.362 1
1 103 . 17 1 1 A 8 8 TYR CA C 8 54.578 57.514 -2.936 1
1 104 . 17 1 1 A 8 8 TYR CB C 8 42.236 40.349 1.887 1
1 105 . 17 1 1 A 8 8 TYR C C 8 171.582 173.405 -1.823 1
1 106 . 17 1 1 A 8 8 TYR H H 8 8.445 8.443 0.002 1
1 107 . 17 1 1 A 8 8 TYR HA H 8 5.401 4.972 0.429 1
1 110 . 17 1 1 A 9 9 SER N N 9 113.300 116.106 -2.806 1
1 111 . 17 1 1 A 9 9 SER H H 9 9.486 8.475 1.011 1
1 112 . 17 1 1 A 9 9 SER CA C 9 55.195 56.223 -1.028 1
1 113 . 17 1 1 A 9 9 SER CB C 9 67.116 64.681 2.435 1
1 114 . 17 1 1 A 9 9 SER C C 9 173.486 172.864 0.622 1
1 115 . 17 1 1 A 9 9 SER HA H 9 5.400 5.753 -0.353 1
1 118 . 17 1 1 A 10 10 LEU N N 10 120.700 123.367 -2.667 1
1 119 . 17 1 1 A 10 10 LEU CA C 10 53.388 52.840 0.548 1
1 120 . 17 1 1 A 10 10 LEU CB C 10 46.946 45.853 1.093 1
1 121 . 17 1 1 A 10 10 LEU C C 10 174.640 174.758 -0.118 1
1 125 . 17 1 1 A 10 10 LEU H H 10 8.698 9.113 -0.415 1
1 126 . 17 1 1 A 10 10 LEU HA H 10 5.471 5.361 0.110 1
1 136 . 17 1 1 A 11 11 ASP N N 11 119.760 122.916 -3.156 1
1 137 . 17 1 1 A 11 11 ASP CA C 11 52.525 52.320 0.205 1
1 138 . 17 1 1 A 11 11 ASP CB C 11 44.683 44.826 -0.143 1
1 139 . 17 1 1 A 11 11 ASP C C 11 173.093 174.052 -0.959 1
1 140 . 17 1 1 A 11 11 ASP H H 11 8.673 8.966 -0.293 1
1 141 . 17 1 1 A 11 11 ASP HA H 11 5.126 5.581 -0.455 1
1 144 . 17 1 1 A 12 12 TYR N N 12 124.200 117.014 7.186 1
1 145 . 17 1 1 A 12 12 TYR CA C 12 57.883 55.398 2.485 1
1 146 . 17 1 1 A 12 12 TYR CB C 12 40.054 41.307 -1.253 1
1 147 . 17 1 1 A 12 12 TYR C C 12 171.962 173.020 -1.058 1
1 148 . 17 1 1 A 12 12 TYR H H 12 8.898 9.013 -0.115 1
1 149 . 17 1 1 A 12 12 TYR HA H 12 4.609 5.915 -1.306 1
1 154 . 17 1 1 A 13 13 ASP N N 13 126.400 124.730 1.670 1
1 155 . 17 1 1 A 13 13 ASP CA C 13 51.141 53.119 -1.978 1
1 156 . 17 1 1 A 13 13 ASP CB C 13 40.891 41.218 -0.327 1
1 157 . 17 1 1 A 13 13 ASP C C 13 175.599 176.794 -1.195 1
1 158 . 17 1 1 A 13 13 ASP H H 13 8.018 8.522 -0.504 1
1 159 . 17 1 1 A 13 13 ASP HA H 13 4.591 4.703 -0.112 1
1 162 . 17 1 1 A 14 14 PHE N N 14 123.575 126.921 -3.346 1
1 163 . 17 1 1 A 14 14 PHE CA C 14 60.734 60.214 0.520 1
1 164 . 17 1 1 A 14 14 PHE CB C 14 38.821 40.008 -1.187 1
1 165 . 17 1 1 A 14 14 PHE C C 14 176.704 176.685 0.019 1
1 166 . 17 1 1 A 14 14 PHE H H 14 8.540 9.070 -0.530 1
1 167 . 17 1 1 A 14 14 PHE HA H 14 4.187 4.484 -0.297 1
1 170 . 17 1 1 A 15 15 GLN N N 15 118.500 115.702 2.798 1
1 172 . 17 1 1 A 15 15 GLN CA C 15 57.927 55.963 1.964 1
1 173 . 17 1 1 A 15 15 GLN CB C 15 28.129 27.910 0.219 1
1 175 . 17 1 1 A 15 15 GLN C C 15 176.646 176.718 -0.072 1
1 176 . 17 1 1 A 15 15 GLN H H 15 8.307 7.776 0.531 1
1 177 . 17 1 1 A 15 15 GLN HA H 15 4.150 4.123 0.027 1
1 184 . 17 1 1 A 16 16 ASN N N 16 113.392 116.521 -3.129 1
1 185 . 17 1 1 A 16 16 ASN CA C 16 52.051 51.846 0.205 1
1 186 . 17 1 1 A 16 16 ASN CB C 16 39.238 38.239 0.999 1
1 187 . 17 1 1 A 16 16 ASN C C 16 173.191 175.494 -2.303 1
1 188 . 17 1 1 A 16 16 ASN H H 16 7.347 7.665 -0.318 1
1 189 . 17 1 1 A 16 16 ASN HA H 16 4.682 4.676 0.006 1
1 195 . 17 1 1 A 17 17 ASN N N 17 118.200 116.678 1.522 1
1 196 . 17 1 1 A 17 17 ASN CA C 17 54.524 53.903 0.621 1
1 197 . 17 1 1 A 17 17 ASN CB C 17 36.825 36.998 -0.173 1
1 198 . 17 1 1 A 17 17 ASN C C 17 175.797 174.010 1.787 1
1 199 . 17 1 1 A 17 17 ASN H H 17 7.682 8.024 -0.342 1
1 200 . 17 1 1 A 17 17 ASN HA H 17 4.300 4.573 -0.273 1
1 206 . 17 1 1 A 18 18 GLN N N 18 110.518 115.159 -4.641 1
1 208 . 17 1 1 A 18 18 GLN CA C 18 52.888 54.011 -1.123 1
1 209 . 17 1 1 A 18 18 GLN CB C 18 31.353 31.774 -0.421 1
1 211 . 17 1 1 A 18 18 GLN C C 18 171.717 174.604 -2.887 1
1 212 . 17 1 1 A 18 18 GLN H H 18 6.757 7.872 -1.115 1
1 213 . 17 1 1 A 18 18 GLN HA H 18 4.911 4.880 0.031 1
1 220 . 17 1 1 A 19 19 LEU N N 19 124.400 122.729 1.671 1
1 221 . 17 1 1 A 19 19 LEU CA C 19 53.873 54.058 -0.185 1
1 222 . 17 1 1 A 19 19 LEU CB C 19 44.558 42.785 1.773 1
1 226 . 17 1 1 A 19 19 LEU C C 19 173.731 176.289 -2.558 1
1 227 . 17 1 1 A 19 19 LEU H H 19 9.048 8.358 0.690 1
1 228 . 17 1 1 A 19 19 LEU HA H 19 4.543 4.948 -0.405 1
1 238 . 17 1 1 A 20 20 LEU N N 20 128.415 125.283 3.132 1
1 239 . 17 1 1 A 20 20 LEU CA C 20 53.695 54.450 -0.755 1
1 240 . 17 1 1 A 20 20 LEU CB C 20 41.956 45.237 -3.281 1
1 244 . 17 1 1 A 20 20 LEU C C 20 175.696 174.908 0.788 1
1 245 . 17 1 1 A 20 20 LEU H H 20 9.021 9.412 -0.391 1
1 246 . 17 1 1 A 20 20 LEU HA H 20 4.852 4.882 -0.030 1
1 256 . 17 1 1 A 21 21 VAL N N 21 125.838 127.277 -1.439 1
1 257 . 17 1 1 A 21 21 VAL CA C 21 60.511 61.389 -0.878 1
1 258 . 17 1 1 A 21 21 VAL CB C 21 45.331 34.599 10.732 1
1 260 . 17 1 1 A 21 21 VAL C C 21 173.979 174.735 -0.756 1
1 261 . 17 1 1 A 21 21 VAL H H 21 9.073 8.758 0.315 1
1 262 . 17 1 1 A 21 21 VAL HA H 21 4.853 4.942 -0.089 1
1 270 . 17 1 1 A 22 22 GLY N N 22 117.254 114.464 2.790 1
1 271 . 17 1 1 A 22 22 GLY CA C 22 43.843 44.661 -0.818 1
1 272 . 17 1 1 A 22 22 GLY C C 22 172.485 174.461 -1.976 1
1 273 . 17 1 1 A 22 22 GLY H H 22 9.486 9.207 0.279 1
1 274 . 17 1 1 A 22 22 GLY HA3 H 22 4.653 4.129 0.524 1
1 275 . 17 1 1 A 22 22 GLY HA2 H 22 3.520 3.938 -0.418 1
1 276 . 17 1 1 A 23 23 ILE N N 23 125.106 122.002 3.104 1
1 277 . 17 1 1 A 23 23 ILE CA C 23 58.182 60.363 -2.181 1
1 278 . 17 1 1 A 23 23 ILE CB C 23 35.290 38.647 -3.357 1
1 282 . 17 1 1 A 23 23 ILE C C 23 174.346 176.246 -1.900 1
1 283 . 17 1 1 A 23 23 ILE H H 23 8.831 8.250 0.581 1
1 284 . 17 1 1 A 23 23 ILE HA H 23 4.330 4.947 -0.617 1
1 294 . 17 1 1 A 24 24 ILE N N 24 126.735 120.949 5.786 1
1 295 . 17 1 1 A 24 24 ILE CA C 24 65.005 62.561 2.444 1
1 296 . 17 1 1 A 24 24 ILE CB C 24 37.790 38.273 -0.483 1
1 300 . 17 1 1 A 24 24 ILE C C 24 177.149 176.168 0.981 1
1 301 . 17 1 1 A 24 24 ILE H H 24 8.365 8.401 -0.036 1
1 302 . 17 1 1 A 24 24 ILE HA H 24 3.903 4.007 -0.104 1
1 312 . 17 1 1 A 25 25 GLN N N 25 110.662 114.825 -4.163 1
1 314 . 17 1 1 A 25 25 GLN CA C 25 54.295 54.504 -0.209 1
1 315 . 17 1 1 A 25 25 GLN CB C 25 30.953 32.200 -1.247 1
1 317 . 17 1 1 A 25 25 GLN C C 25 171.152 173.263 -2.111 1
1 318 . 17 1 1 A 25 25 GLN H H 25 7.706 7.663 0.043 1
1 319 . 17 1 1 A 25 25 GLN HA H 25 5.123 4.727 0.396 1
1 325 . 17 1 1 A 26 26 ALA N N 26 121.300 123.045 -1.745 1
1 326 . 17 1 1 A 26 26 ALA CA C 26 49.951 50.051 -0.100 1
1 327 . 17 1 1 A 26 26 ALA CB C 26 22.406 22.530 -0.124 1
1 328 . 17 1 1 A 26 26 ALA C C 26 171.937 175.805 -3.868 1
1 329 . 17 1 1 A 26 26 ALA H H 26 9.195 8.695 0.500 1
1 330 . 17 1 1 A 26 26 ALA HA H 26 5.740 6.090 -0.350 1
1 334 . 17 1 1 A 27 27 ALA N N 27 120.100 121.963 -1.863 1
1 335 . 17 1 1 A 27 27 ALA CA C 27 50.524 50.677 -0.153 1
1 336 . 17 1 1 A 27 27 ALA CB C 27 24.047 21.474 2.573 1
1 337 . 17 1 1 A 27 27 ALA C C 27 174.984 176.821 -1.837 1
1 338 . 17 1 1 A 27 27 ALA H H 27 9.118 8.680 0.438 1
1 339 . 17 1 1 A 27 27 ALA HA H 27 5.353 4.783 0.570 1
1 343 . 17 1 1 A 28 28 GLU N N 28 112.600 119.240 -6.640 1
1 344 . 17 1 1 A 28 28 GLU CA C 28 56.032 57.420 -1.388 1
1 345 . 17 1 1 A 28 28 GLU CB C 28 25.966 27.570 -1.604 1
1 347 . 17 1 1 A 28 28 GLU C C 28 174.427 175.680 -1.253 1
1 348 . 17 1 1 A 28 28 GLU H H 28 8.453 8.728 -0.275 1
1 349 . 17 1 1 A 28 28 GLU HA H 28 3.648 3.836 -0.188 1
1 354 . 17 1 1 A 29 29 LEU N N 29 116.093 120.756 -4.663 1
1 355 . 17 1 1 A 29 29 LEU CA C 29 53.295 52.875 0.420 1
1 356 . 17 1 1 A 29 29 LEU CB C 29 39.640 41.300 -1.660 1
1 360 . 17 1 1 A 29 29 LEU C C 29 173.800 174.456 -0.656 1
1 361 . 17 1 1 A 29 29 LEU H H 29 7.951 8.452 -0.501 1
1 362 . 17 1 1 A 29 29 LEU HA H 29 4.330 5.234 -0.904 1
1 372 . 17 1 1 A 30 30 PRO CA C 30 61.760 62.655 -0.895 1
1 373 . 17 1 1 A 30 30 PRO CB C 30 31.492 31.847 -0.355 1
1 376 . 17 1 1 A 30 30 PRO C C 30 175.525 176.894 -1.369 1
1 377 . 17 1 1 A 30 30 PRO HA H 30 4.327 4.472 -0.145 1
1 383 . 17 1 1 A 31 31 ALA N N 31 122.487 124.449 -1.962 1
1 384 . 17 1 1 A 31 31 ALA CA C 31 50.604 52.809 -2.205 1
1 385 . 17 1 1 A 31 31 ALA CB C 31 18.576 19.250 -0.674 1
1 386 . 17 1 1 A 31 31 ALA C C 31 177.222 177.481 -0.259 1
1 387 . 17 1 1 A 31 31 ALA H H 31 8.128 8.373 -0.245 1
1 388 . 17 1 1 A 31 31 ALA HA H 31 4.130 4.416 -0.286 1
1 392 . 17 1 1 A 32 32 LEU N N 32 124.400 123.674 0.726 1
1 393 . 17 1 1 A 32 32 LEU CA C 32 55.041 53.809 1.232 1
1 394 . 17 1 1 A 32 32 LEU CB C 32 42.916 42.100 0.816 1
1 398 . 17 1 1 A 32 32 LEU C C 32 176.852 174.846 2.006 1
1 399 . 17 1 1 A 32 32 LEU H H 32 8.035 8.850 -0.815 1
1 400 . 17 1 1 A 32 32 LEU HA H 32 4.240 4.690 -0.450 1
1 410 . 17 1 1 A 33 33 ASP N N 33 119.800 120.303 -0.503 1
1 411 . 17 1 1 A 33 33 ASP CA C 33 52.948 53.227 -0.279 1
1 412 . 17 1 1 A 33 33 ASP CB C 33 41.578 44.964 -3.386 1
1 413 . 17 1 1 A 33 33 ASP C C 33 176.200 174.600 1.600 1
1 414 . 17 1 1 A 33 33 ASP H H 33 8.400 7.145 1.255 1
1 415 . 17 1 1 A 33 33 ASP HA H 33 4.785 5.165 -0.380 1
1 418 . 17 1 1 A 34 34 MET N N 34 120.000 121.581 -1.581 1
1 419 . 17 1 1 A 34 34 MET CA C 34 56.561 54.878 1.683 1
1 420 . 17 1 1 A 34 34 MET CB C 34 31.288 30.453 0.835 1
1 422 . 17 1 1 A 34 34 MET C C 34 176.483 176.178 0.305 1
1 423 . 17 1 1 A 34 34 MET H H 34 8.492 8.522 -0.030 1
1 424 . 17 1 1 A 34 34 MET HA H 34 4.213 4.561 -0.348 1
1 429 . 17 1 1 A 35 35 GLY N N 35 110.400 108.715 1.685 1
1 430 . 17 1 1 A 35 35 GLY CA C 35 44.884 45.359 -0.475 1
1 431 . 17 1 1 A 35 35 GLY C C 35 174.831 175.122 -0.291 1
1 432 . 17 1 1 A 35 35 GLY H H 35 8.668 8.294 0.374 1
1 433 . 17 1 1 A 35 35 GLY HA3 H 35 4.039 4.108 -0.069 1
1 434 . 17 1 1 A 35 35 GLY HA2 H 35 3.818 4.104 -0.286 1
1 435 . 17 1 1 A 36 36 GLY N N 36 107.400 109.578 -2.178 1
1 436 . 17 1 1 A 36 36 GLY CA C 36 45.427 46.734 -1.307 1
1 437 . 17 1 1 A 36 36 GLY C C 36 173.194 173.615 -0.421 1
1 438 . 17 1 1 A 36 36 GLY H H 36 8.008 7.824 0.184 1
1 439 . 17 1 1 A 36 36 GLY HA3 H 36 4.000 3.942 0.058 1
1 440 . 17 1 1 A 36 36 GLY HA2 H 36 3.861 3.938 -0.077 1
1 441 . 17 1 1 A 37 37 THR N N 37 111.100 110.172 0.928 1
1 442 . 17 1 1 A 37 37 THR CA C 37 59.954 59.651 0.303 1
1 443 . 17 1 1 A 37 37 THR CB C 37 70.589 72.719 -2.130 1
1 445 . 17 1 1 A 37 37 THR C C 37 171.355 172.538 -1.183 1
1 446 . 17 1 1 A 37 37 THR H H 37 7.476 7.524 -0.048 1
1 447 . 17 1 1 A 37 37 THR HA H 37 4.511 5.057 -0.546 1
1 450 . 17 1 1 A 38 38 SER N N 38 115.811 114.779 1.032 1
1 451 . 17 1 1 A 38 38 SER CA C 38 57.664 56.566 1.098 1
1 452 . 17 1 1 A 38 38 SER CB C 38 70.510 66.263 4.247 1
1 453 . 17 1 1 A 38 38 SER C C 38 170.198 173.239 -3.041 1
1 454 . 17 1 1 A 38 38 SER H H 38 7.257 8.901 -1.644 1
1 455 . 17 1 1 A 38 38 SER HA H 38 4.707 5.185 -0.478 1
1 458 . 17 1 1 A 39 39 ASP N N 39 121.288 120.853 0.435 1
1 459 . 17 1 1 A 39 39 ASP CA C 39 51.058 51.743 -0.685 1
1 460 . 17 1 1 A 39 39 ASP CB C 39 42.210 42.039 0.171 1
1 461 . 17 1 1 A 39 39 ASP C C 39 172.500 173.574 -1.074 1
1 462 . 17 1 1 A 39 39 ASP H H 39 8.698 9.172 -0.474 1
1 463 . 17 1 1 A 39 39 ASP HA H 39 5.940 6.431 -0.491 1
1 466 . 17 1 1 A 40 40 PRO CA C 40 62.440 62.934 -0.494 1
1 467 . 17 1 1 A 40 40 PRO CB C 40 34.370 32.688 1.682 1
1 470 . 17 1 1 A 40 40 PRO C C 40 176.317 175.326 0.991 1
1 471 . 17 1 1 A 40 40 PRO HA H 40 5.826 4.860 0.966 1
1 478 . 17 1 1 A 41 41 TYR N N 41 113.769 124.498 -10.729 1
1 479 . 17 1 1 A 41 41 TYR CA C 41 56.150 58.334 -2.184 1
1 480 . 17 1 1 A 41 41 TYR CB C 41 40.246 41.733 -1.487 1
1 481 . 17 1 1 A 41 41 TYR C C 41 171.425 173.188 -1.763 1
1 482 . 17 1 1 A 41 41 TYR H H 41 8.703 8.924 -0.221 1
1 483 . 17 1 1 A 41 41 TYR HA H 41 4.795 5.052 -0.257 1
1 487 . 17 1 1 A 42 42 VAL N N 42 119.919 128.201 -8.282 1
1 488 . 17 1 1 A 42 42 VAL CA C 42 60.064 59.836 0.228 1
1 489 . 17 1 1 A 42 42 VAL CB C 42 33.816 33.847 -0.031 1
1 492 . 17 1 1 A 42 42 VAL C C 42 174.456 174.663 -0.207 1
1 493 . 17 1 1 A 42 42 VAL HA H 42 5.020 4.847 0.173 1
1 501 . 17 1 1 A 43 43 LYS N N 43 125.776 126.261 -0.485 1
1 502 . 17 1 1 A 43 43 LYS CA C 43 54.601 55.222 -0.621 1
1 503 . 17 1 1 A 43 43 LYS CB C 43 36.096 34.401 1.695 1
1 507 . 17 1 1 A 43 43 LYS C C 43 174.518 175.362 -0.844 1
1 508 . 17 1 1 A 43 43 LYS H H 43 9.415 9.264 0.151 1
1 509 . 17 1 1 A 43 43 LYS HA H 43 5.374 4.803 0.571 1
1 518 . 17 1 1 A 44 44 VAL N N 44 121.484 125.001 -3.517 1
1 519 . 17 1 1 A 44 44 VAL CA C 44 59.365 61.043 -1.678 1
1 520 . 17 1 1 A 44 44 VAL CB C 44 34.818 32.825 1.993 1
1 523 . 17 1 1 A 44 44 VAL C C 44 173.928 175.362 -1.434 1
1 524 . 17 1 1 A 44 44 VAL H H 44 8.845 8.730 0.115 1
1 525 . 17 1 1 A 44 44 VAL HA H 44 5.326 4.963 0.363 1
1 533 . 17 1 1 A 45 45 PHE N N 45 120.600 123.130 -2.530 1
1 534 . 17 1 1 A 45 45 PHE CA C 45 55.886 55.440 0.446 1
1 535 . 17 1 1 A 45 45 PHE CB C 45 39.882 42.695 -2.813 1
1 536 . 17 1 1 A 45 45 PHE C C 45 171.102 172.507 -1.405 1
1 537 . 17 1 1 A 45 45 PHE H H 45 8.254 8.803 -0.549 1
1 538 . 17 1 1 A 45 45 PHE HA H 45 4.971 5.548 -0.577 1
1 541 . 17 1 1 A 46 46 LEU N N 46 121.444 120.074 1.370 1
1 542 . 17 1 1 A 46 46 LEU CA C 46 52.376 53.393 -1.017 1
1 543 . 17 1 1 A 46 46 LEU CB C 46 43.229 45.045 -1.816 1
1 547 . 17 1 1 A 46 46 LEU C C 46 176.176 175.426 0.750 1
1 548 . 17 1 1 A 46 46 LEU H H 46 9.137 9.030 0.107 1
1 549 . 17 1 1 A 46 46 LEU HA H 46 4.189 5.512 -1.323 1
1 559 . 17 1 1 A 47 47 LEU N N 47 123.900 123.007 0.893 1
1 560 . 17 1 1 A 47 47 LEU CA C 47 52.926 52.296 0.630 1
1 561 . 17 1 1 A 47 47 LEU CB C 47 41.010 43.399 -2.389 1
1 565 . 17 1 1 A 47 47 LEU C C 47 175.800 177.317 -1.517 1
1 566 . 17 1 1 A 47 47 LEU H H 47 8.945 7.975 0.970 1
1 567 . 17 1 1 A 47 47 LEU HA H 47 4.185 4.593 -0.408 1
1 577 . 17 1 1 A 48 48 PRO CA C 48 62.992 65.891 -2.899 1
1 578 . 17 1 1 A 48 48 PRO CB C 48 24.080 31.845 -7.765 1
1 581 . 17 1 1 A 48 48 PRO C C 48 176.188 178.145 -1.957 1
1 582 . 17 1 1 A 48 48 PRO HA H 48 4.474 4.295 0.179 1
1 588 . 17 1 1 A 49 49 ASP N N 49 113.800 116.699 -2.899 1
1 589 . 17 1 1 A 49 49 ASP CA C 49 55.199 57.449 -2.250 1
1 590 . 17 1 1 A 49 49 ASP CB C 49 40.158 40.931 -0.773 1
1 591 . 17 1 1 A 49 49 ASP C C 49 175.304 176.180 -0.876 1
1 592 . 17 1 1 A 49 49 ASP H H 49 8.467 7.967 0.500 1
1 593 . 17 1 1 A 49 49 ASP HA H 49 4.576 4.394 0.182 1
1 596 . 17 1 1 A 50 50 LYS N N 50 120.081 116.894 3.187 1
1 597 . 17 1 1 A 50 50 LYS CA C 50 56.803 57.098 -0.295 1
1 598 . 17 1 1 A 50 50 LYS CB C 50 32.059 30.297 1.762 1
1 602 . 17 1 1 A 50 50 LYS H H 50 8.329 7.717 0.612 1
1 603 . 17 1 1 A 50 50 LYS HA H 50 3.949 3.897 0.052 1
1 604 . 17 1 1 A 50 50 LYS C C 50 175.754 175.296 0.458 1
1 613 . 17 1 1 A 51 51 LYS N N 51 117.896 120.397 -2.501 1
1 614 . 17 1 1 A 51 51 LYS CA C 51 57.360 55.279 2.081 1
1 615 . 17 1 1 A 51 51 LYS CB C 51 32.230 31.090 1.140 1
1 619 . 17 1 1 A 51 51 LYS H H 51 8.099 8.058 0.041 1
1 620 . 17 1 1 A 51 51 LYS HA H 51 3.950 4.416 -0.466 1
1 621 . 17 1 1 A 51 51 LYS C C 51 176.619 176.192 0.427 1
1 630 . 17 1 1 A 52 52 LYS N N 52 120.200 120.452 -0.252 1
1 631 . 17 1 1 A 52 52 LYS CA C 52 54.688 55.580 -0.892 1
1 632 . 17 1 1 A 52 52 LYS CB C 52 31.829 32.099 -0.270 1
1 636 . 17 1 1 A 52 52 LYS H H 52 7.447 7.684 -0.237 1
1 637 . 17 1 1 A 52 52 LYS HA H 52 4.259 4.534 -0.275 1
1 638 . 17 1 1 A 52 52 LYS C C 52 173.420 176.240 -2.820 1
1 647 . 17 1 1 A 53 53 LYS N N 53 123.119 120.530 2.589 1
1 648 . 17 1 1 A 53 53 LYS CA C 53 53.698 56.349 -2.651 1
1 649 . 17 1 1 A 53 53 LYS CB C 53 41.592 32.404 9.188 1
1 653 . 17 1 1 A 53 53 LYS H H 53 7.810 7.950 -0.140 1
1 654 . 17 1 1 A 53 53 LYS HA H 53 5.004 5.182 -0.178 1
1 655 . 17 1 1 A 53 53 LYS C C 53 174.468 175.956 -1.488 1
1 664 . 17 1 1 A 54 54 PHE N N 54 120.200 123.396 -3.196 1
1 665 . 17 1 1 A 54 54 PHE CA C 54 56.583 56.092 0.491 1
1 666 . 17 1 1 A 54 54 PHE CB C 54 42.110 43.561 -1.451 1
1 667 . 17 1 1 A 54 54 PHE C C 54 173.801 174.429 -0.628 1
1 668 . 17 1 1 A 54 54 PHE H H 54 8.490 8.754 -0.264 1
1 669 . 17 1 1 A 54 54 PHE HA H 54 4.680 5.093 -0.413 1
1 672 . 17 1 1 A 55 55 GLU N N 55 117.600 122.014 -4.414 1
1 673 . 17 1 1 A 55 55 GLU CA C 55 53.537 55.945 -2.408 1
1 674 . 17 1 1 A 55 55 GLU CB C 55 33.241 31.808 1.433 1
1 676 . 17 1 1 A 55 55 GLU C C 55 176.694 174.570 2.124 1
1 677 . 17 1 1 A 55 55 GLU H H 55 8.309 7.423 0.886 1
1 678 . 17 1 1 A 55 55 GLU HA H 55 5.690 4.172 1.518 1
1 683 . 17 1 1 A 56 56 THR N N 56 111.700 118.719 -7.019 1
1 684 . 17 1 1 A 56 56 THR CA C 56 60.989 60.335 0.654 1
1 685 . 17 1 1 A 56 56 THR CB C 56 71.860 70.168 1.692 1
1 687 . 17 1 1 A 56 56 THR C C 56 174.385 174.482 -0.097 1
1 688 . 17 1 1 A 56 56 THR H H 56 8.775 7.964 0.811 1
1 689 . 17 1 1 A 56 56 THR HA H 56 4.838 5.011 -0.173 1
1 692 . 17 1 1 A 57 57 LYS N N 57 119.500 123.086 -3.586 1
1 693 . 17 1 1 A 57 57 LYS CA C 57 56.775 56.214 0.561 1
1 694 . 17 1 1 A 57 57 LYS CB C 57 32.743 32.953 -0.210 1
1 698 . 17 1 1 A 57 57 LYS H H 57 9.787 8.186 1.601 1
1 699 . 17 1 1 A 57 57 LYS HA H 57 4.151 4.379 -0.228 1
1 700 . 17 1 1 A 57 57 LYS C C 57 177.417 176.165 1.252 1
1 709 . 17 1 1 A 58 58 VAL N N 58 123.100 122.487 0.613 1
1 710 . 17 1 1 A 58 58 VAL CA C 58 61.870 61.991 -0.121 1
1 711 . 17 1 1 A 58 58 VAL CB C 58 32.081 32.534 -0.453 1
1 714 . 17 1 1 A 58 58 VAL C C 58 176.850 175.502 1.348 1
1 715 . 17 1 1 A 58 58 VAL H H 58 8.120 8.473 -0.353 1
1 716 . 17 1 1 A 58 58 VAL HA H 58 4.284 4.479 -0.195 1
1 724 . 17 1 1 A 59 59 HIS N N 59 128.800 125.058 3.742 1
1 725 . 17 1 1 A 59 59 HIS CA C 59 54.311 54.933 -0.622 1
1 726 . 17 1 1 A 59 59 HIS CB C 59 30.426 29.287 1.139 1
1 727 . 17 1 1 A 59 59 HIS C C 59 172.101 175.065 -2.964 1
1 728 . 17 1 1 A 59 59 HIS H H 59 8.550 9.016 -0.466 1
1 729 . 17 1 1 A 59 59 HIS HA H 59 4.457 4.994 -0.537 1
1 732 . 17 1 1 A 60 60 ARG N N 60 118.700 124.036 -5.336 1
1 733 . 17 1 1 A 60 60 ARG CA C 60 55.702 56.395 -0.693 1
1 734 . 17 1 1 A 60 60 ARG CB C 60 30.713 30.375 0.338 1
1 737 . 17 1 1 A 60 60 ARG C C 60 176.252 176.022 0.230 1
1 738 . 17 1 1 A 60 60 ARG H H 60 8.211 8.637 -0.426 1
1 739 . 17 1 1 A 60 60 ARG HA H 60 4.389 4.736 -0.347 1
1 746 . 17 1 1 A 61 61 LYS N N 61 122.500 118.194 4.306 1
1 747 . 17 1 1 A 61 61 LYS CA C 61 55.977 57.147 -1.170 1
1 748 . 17 1 1 A 61 61 LYS CB C 61 29.711 29.537 0.174 1
1 752 . 17 1 1 A 61 61 LYS H H 61 9.608 8.941 0.667 1
1 753 . 17 1 1 A 61 61 LYS HA H 61 3.946 4.272 -0.326 1
1 754 . 17 1 1 A 61 61 LYS C C 61 175.083 174.920 0.163 1
1 763 . 17 1 1 A 62 62 THR N N 62 113.400 109.813 3.587 1
1 764 . 17 1 1 A 62 62 THR CA C 62 59.755 60.461 -0.706 1
1 765 . 17 1 1 A 62 62 THR CB C 62 63.417 72.153 -8.736 1
1 767 . 17 1 1 A 62 62 THR C C 62 170.120 173.857 -3.737 1
1 768 . 17 1 1 A 62 62 THR H H 62 8.470 7.520 0.950 1
1 769 . 17 1 1 A 62 62 THR HA H 62 4.703 4.794 -0.091 1
1 772 . 17 1 1 A 63 63 LEU N N 63 123.100 129.528 -6.428 1
1 773 . 17 1 1 A 63 63 LEU CA C 63 52.833 55.405 -2.572 1
1 774 . 17 1 1 A 63 63 LEU CB C 63 40.311 42.298 -1.987 1
1 778 . 17 1 1 A 63 63 LEU C C 63 175.135 176.831 -1.696 1
1 779 . 17 1 1 A 63 63 LEU H H 63 8.257 8.736 -0.479 1
1 780 . 17 1 1 A 63 63 LEU HA H 63 4.483 4.423 0.060 1
1 790 . 17 1 1 A 64 64 ASN N N 64 114.829 118.253 -3.424 1
1 792 . 17 1 1 A 64 64 ASN CA C 64 50.610 50.304 0.306 1
1 793 . 17 1 1 A 64 64 ASN CB C 64 40.550 38.896 1.654 1
1 794 . 17 1 1 A 64 64 ASN C C 64 171.500 173.040 -1.540 1
1 795 . 17 1 1 A 64 64 ASN H H 64 8.306 8.004 0.302 1
1 796 . 17 1 1 A 64 64 ASN HA H 64 5.450 5.150 0.300 1
1 801 . 17 1 1 A 65 65 PRO CA C 65 61.914 62.045 -0.131 1
1 802 . 17 1 1 A 65 65 PRO CB C 65 30.780 31.987 -1.207 1
1 805 . 17 1 1 A 65 65 PRO C C 65 173.852 176.151 -2.299 1
1 806 . 17 1 1 A 65 65 PRO HA H 65 3.970 4.757 -0.787 1
1 813 . 17 1 1 A 66 66 VAL N N 66 121.000 119.564 1.436 1
1 814 . 17 1 1 A 66 66 VAL CA C 66 61.782 60.710 1.072 1
1 815 . 17 1 1 A 66 66 VAL CB C 66 32.721 33.572 -0.851 1
1 818 . 17 1 1 A 66 66 VAL C C 66 175.152 176.217 -1.065 1
1 819 . 17 1 1 A 66 66 VAL H H 66 7.926 8.192 -0.266 1
1 820 . 17 1 1 A 66 66 VAL HA H 66 3.807 4.549 -0.742 1
1 828 . 17 1 1 A 67 67 PHE N N 67 123.400 129.187 -5.787 1
1 829 . 17 1 1 A 67 67 PHE CA C 67 59.262 60.848 -1.586 1
1 830 . 17 1 1 A 67 67 PHE CB C 67 39.849 40.024 -0.175 1
1 831 . 17 1 1 A 67 67 PHE C C 67 175.748 175.401 0.347 1
1 832 . 17 1 1 A 67 67 PHE H H 67 8.150 8.832 -0.682 1
1 833 . 17 1 1 A 67 67 PHE HA H 67 4.378 4.443 -0.065 1
1 836 . 17 1 1 A 68 68 ASN N N 68 117.500 117.036 0.464 1
1 837 . 17 1 1 A 68 68 ASN CA C 68 53.983 53.878 0.105 1
1 838 . 17 1 1 A 68 68 ASN CB C 68 37.351 36.881 0.470 1
1 839 . 17 1 1 A 68 68 ASN C C 68 173.314 173.988 -0.674 1
1 840 . 17 1 1 A 68 68 ASN H H 68 8.920 8.838 0.082 1
1 841 . 17 1 1 A 68 68 ASN HA H 68 4.350 5.231 -0.881 1
1 847 . 17 1 1 A 69 69 GLU N N 69 116.000 117.812 -1.812 1
1 848 . 17 1 1 A 69 69 GLU CA C 69 55.742 54.935 0.807 1
1 849 . 17 1 1 A 69 69 GLU CB C 69 34.663 32.242 2.421 1
1 851 . 17 1 1 A 69 69 GLU C C 69 174.165 175.179 -1.014 1
1 852 . 17 1 1 A 69 69 GLU H H 69 7.931 7.790 0.141 1
1 853 . 17 1 1 A 69 69 GLU HA H 69 4.638 4.704 -0.066 1
1 858 . 17 1 1 A 70 70 GLN N N 70 121.500 123.547 -2.047 1
1 860 . 17 1 1 A 70 70 GLN CA C 70 53.807 55.448 -1.641 1
1 861 . 17 1 1 A 70 70 GLN CB C 70 31.750 29.052 2.698 1
1 863 . 17 1 1 A 70 70 GLN C C 70 173.068 175.441 -2.373 1
1 864 . 17 1 1 A 70 70 GLN H H 70 8.174 8.530 -0.356 1
1 865 . 17 1 1 A 70 70 GLN HA H 70 4.985 4.374 0.611 1
1 872 . 17 1 1 A 71 71 PHE N N 71 124.300 121.920 2.380 1
1 873 . 17 1 1 A 71 71 PHE CA C 71 55.249 55.825 -0.576 1
1 874 . 17 1 1 A 71 71 PHE CB C 71 42.133 40.861 1.272 1
1 875 . 17 1 1 A 71 71 PHE C C 71 173.570 174.916 -1.346 1
1 876 . 17 1 1 A 71 71 PHE H H 71 9.040 8.021 1.019 1
1 877 . 17 1 1 A 71 71 PHE HA H 71 4.528 5.623 -1.095 1
1 880 . 17 1 1 A 72 72 THR N N 72 114.000 118.525 -4.525 1
1 881 . 17 1 1 A 72 72 THR CA C 72 59.491 61.260 -1.769 1
1 882 . 17 1 1 A 72 72 THR CB C 72 70.623 72.300 -1.677 1
1 884 . 17 1 1 A 72 72 THR C C 72 172.834 173.323 -0.489 1
1 885 . 17 1 1 A 72 72 THR H H 72 7.763 8.832 -1.069 1
1 886 . 17 1 1 A 72 72 THR HA H 72 5.212 5.212 0.000 1
1 889 . 17 1 1 A 73 73 PHE N N 73 120.900 124.697 -3.797 1
1 890 . 17 1 1 A 73 73 PHE CA C 73 56.071 56.078 -0.007 1
1 891 . 17 1 1 A 73 73 PHE CB C 73 41.570 43.739 -2.169 1
1 892 . 17 1 1 A 73 73 PHE C C 73 174.890 174.453 0.437 1
1 893 . 17 1 1 A 73 73 PHE H H 73 8.983 9.224 -0.241 1
1 894 . 17 1 1 A 73 73 PHE HA H 73 4.750 5.084 -0.334 1
1 897 . 17 1 1 A 74 74 LYS N N 74 127.500 119.994 7.506 1
1 898 . 17 1 1 A 74 74 LYS CA C 74 56.186 55.873 0.313 1
1 899 . 17 1 1 A 74 74 LYS CB C 74 30.577 32.165 -1.588 1
1 903 . 17 1 1 A 74 74 LYS C C 74 174.575 175.319 -0.744 1
1 904 . 17 1 1 A 74 74 LYS H H 74 9.063 8.883 0.180 1
1 905 . 17 1 1 A 74 74 LYS HA H 74 4.690 4.674 0.016 1
1 914 . 17 1 1 A 75 75 VAL N N 75 126.600 124.922 1.678 1
1 915 . 17 1 1 A 75 75 VAL CA C 75 57.737 58.747 -1.010 1
1 916 . 17 1 1 A 75 75 VAL CB C 75 35.160 35.537 -0.377 1
1 919 . 17 1 1 A 75 75 VAL C C 75 171.500 173.534 -2.034 1
1 920 . 17 1 1 A 75 75 VAL H H 75 7.546 7.601 -0.055 1
1 921 . 17 1 1 A 75 75 VAL HA H 75 4.650 4.562 0.088 1
1 929 . 17 1 1 A 76 76 PRO CA C 76 62.476 62.861 -0.385 1
1 930 . 17 1 1 A 76 76 PRO CB C 76 32.143 32.534 -0.391 1
1 933 . 17 1 1 A 76 76 PRO C C 76 176.991 177.129 -0.138 1
1 934 . 17 1 1 A 76 76 PRO HA H 76 4.329 4.571 -0.242 1
1 941 . 17 1 1 A 77 77 TYR N N 77 128.500 125.210 3.290 1
1 942 . 17 1 1 A 77 77 TYR CA C 77 61.772 60.635 1.137 1
1 943 . 17 1 1 A 77 77 TYR CB C 77 37.898 37.667 0.231 1
1 944 . 17 1 1 A 77 77 TYR C C 77 177.516 177.708 -0.192 1
1 945 . 17 1 1 A 77 77 TYR H H 77 8.626 9.071 -0.445 1
1 946 . 17 1 1 A 77 77 TYR HA H 77 3.403 4.192 -0.789 1
1 950 . 17 1 1 A 78 78 SER N N 78 110.600 116.574 -5.974 1
1 951 . 17 1 1 A 78 78 SER H H 78 8.509 7.665 0.844 1
1 952 . 17 1 1 A 78 78 SER CA C 78 60.064 61.630 -1.566 1
1 953 . 17 1 1 A 78 78 SER CB C 78 62.022 62.695 -0.673 1
1 954 . 17 1 1 A 78 78 SER C C 78 175.292 175.907 -0.615 1
1 955 . 17 1 1 A 78 78 SER HA H 78 3.940 3.901 0.039 1
1 958 . 17 1 1 A 79 79 GLU N N 79 119.000 121.544 -2.544 1
1 959 . 17 1 1 A 79 79 GLU CA C 79 55.273 56.803 -1.530 1
1 960 . 17 1 1 A 79 79 GLU CB C 79 30.302 29.939 0.363 1
1 962 . 17 1 1 A 79 79 GLU C C 79 177.218 179.021 -1.803 1
1 963 . 17 1 1 A 79 79 GLU H H 79 7.411 7.676 -0.265 1
1 964 . 17 1 1 A 79 79 GLU HA H 79 4.280 4.227 0.053 1
1 969 . 17 1 1 A 80 80 LEU N N 80 121.600 122.467 -0.867 1
1 970 . 17 1 1 A 80 80 LEU CA C 80 57.376 57.924 -0.548 1
1 971 . 17 1 1 A 80 80 LEU CB C 80 41.916 41.800 0.116 1
1 975 . 17 1 1 A 80 80 LEU C C 80 177.098 178.422 -1.324 1
1 976 . 17 1 1 A 80 80 LEU H H 80 7.311 8.412 -1.101 1
1 977 . 17 1 1 A 80 80 LEU HA H 80 3.643 4.035 -0.392 1
1 987 . 17 1 1 A 81 81 GLY N N 81 102.900 106.988 -4.088 1
1 988 . 17 1 1 A 81 81 GLY CA C 81 46.638 47.305 -0.667 1
1 989 . 17 1 1 A 81 81 GLY C C 81 174.240 176.578 -2.338 1
1 990 . 17 1 1 A 81 81 GLY H H 81 7.860 8.317 -0.457 1
1 991 . 17 1 1 A 81 81 GLY HA3 H 81 3.744 3.761 -0.017 1
1 992 . 17 1 1 A 81 81 GLY HA2 H 81 3.434 3.742 -0.308 1
1 993 . 17 1 1 A 82 82 GLY N N 82 105.900 108.712 -2.812 1
1 994 . 17 1 1 A 82 82 GLY CA C 82 44.289 46.825 -2.536 1
1 995 . 17 1 1 A 82 82 GLY C C 82 174.591 174.622 -0.031 1
1 996 . 17 1 1 A 82 82 GLY H H 82 7.396 7.920 -0.524 1
1 997 . 17 1 1 A 82 82 GLY HA3 H 82 4.267 3.833 0.434 1
1 998 . 17 1 1 A 82 82 GLY HA2 H 82 3.760 3.831 -0.071 1
1 999 . 17 1 1 A 83 83 LYS N N 83 119.000 119.340 -0.340 1
1 1000 . 17 1 1 A 83 83 LYS CA C 83 53.818 55.315 -1.497 1
1 1001 . 17 1 1 A 83 83 LYS CB C 83 33.814 33.332 0.482 1
1 1005 . 17 1 1 A 83 83 LYS H H 83 7.888 7.599 0.289 1
1 1006 . 17 1 1 A 83 83 LYS HA H 83 4.366 4.562 -0.196 1
1 1007 . 17 1 1 A 83 83 LYS C C 83 176.518 175.850 0.668 1
1 1015 . 17 1 1 A 84 84 THR N N 84 118.500 113.091 5.409 1
1 1016 . 17 1 1 A 84 84 THR CA C 84 61.914 60.556 1.358 1
1 1017 . 17 1 1 A 84 84 THR CB C 84 71.340 70.815 0.525 1
1 1019 . 17 1 1 A 84 84 THR C C 84 171.750 172.669 -0.919 1
1 1020 . 17 1 1 A 84 84 THR H H 84 8.248 8.676 -0.428 1
1 1021 . 17 1 1 A 84 84 THR HA H 84 4.638 5.241 -0.603 1
1 1024 . 17 1 1 A 85 85 LEU N N 85 130.500 127.462 3.038 1
1 1025 . 17 1 1 A 85 85 LEU CA C 85 53.982 54.019 -0.037 1
1 1026 . 17 1 1 A 85 85 LEU CB C 85 43.826 43.079 0.747 1
1 1030 . 17 1 1 A 85 85 LEU C C 85 173.417 175.509 -2.092 1
1 1031 . 17 1 1 A 85 85 LEU H H 85 8.430 8.422 0.008 1
1 1032 . 17 1 1 A 85 85 LEU HA H 85 4.417 4.733 -0.316 1
1 1042 . 17 1 1 A 86 86 VAL N N 86 127.723 121.357 6.366 1
1 1043 . 17 1 1 A 86 86 VAL CA C 86 61.206 59.494 1.712 1
1 1044 . 17 1 1 A 86 86 VAL CB C 86 31.856 34.079 -2.223 1
1 1047 . 17 1 1 A 86 86 VAL C C 86 173.599 174.168 -0.569 1
1 1048 . 17 1 1 A 86 86 VAL H H 86 8.771 8.710 0.061 1
1 1049 . 17 1 1 A 86 86 VAL HA H 86 4.151 4.853 -0.702 1
1 1057 . 17 1 1 A 87 87 MET N N 87 122.600 123.521 -0.921 1
1 1058 . 17 1 1 A 87 87 MET CA C 87 53.654 53.873 -0.219 1
1 1059 . 17 1 1 A 87 87 MET CB C 87 31.288 35.679 -4.391 1
1 1061 . 17 1 1 A 87 87 MET C C 87 172.749 174.819 -2.070 1
1 1062 . 17 1 1 A 87 87 MET H H 87 7.503 8.998 -1.495 1
1 1063 . 17 1 1 A 87 87 MET HA H 87 4.706 5.211 -0.505 1
1 1068 . 17 1 1 A 88 88 ALA N N 88 124.200 125.299 -1.099 1
1 1069 . 17 1 1 A 88 88 ALA CA C 88 50.017 50.890 -0.873 1
1 1070 . 17 1 1 A 88 88 ALA CB C 88 23.107 20.392 2.715 1
1 1071 . 17 1 1 A 88 88 ALA C C 88 174.558 175.618 -1.060 1
1 1072 . 17 1 1 A 88 88 ALA H H 88 8.755 9.100 -0.345 1
1 1073 . 17 1 1 A 88 88 ALA HA H 88 4.948 4.980 -0.032 1
1 1077 . 17 1 1 A 89 89 VAL N N 89 122.900 123.755 -0.855 1
1 1078 . 17 1 1 A 89 89 VAL CA C 89 60.881 62.893 -2.012 1
1 1079 . 17 1 1 A 89 89 VAL CB C 89 31.541 31.594 -0.053 1
1 1082 . 17 1 1 A 89 89 VAL C C 89 173.707 175.039 -1.332 1
1 1083 . 17 1 1 A 89 89 VAL H H 89 8.813 8.711 0.102 1
1 1084 . 17 1 1 A 89 89 VAL HA H 89 4.652 4.785 -0.133 1
1 1092 . 17 1 1 A 90 90 TYR N N 90 128.400 127.081 1.319 1
1 1093 . 17 1 1 A 90 90 TYR CA C 90 56.230 56.337 -0.107 1
1 1094 . 17 1 1 A 90 90 TYR CB C 90 43.211 41.194 2.017 1
1 1095 . 17 1 1 A 90 90 TYR C C 90 173.024 174.235 -1.211 1
1 1096 . 17 1 1 A 90 90 TYR H H 90 9.067 10.031 -0.964 1
1 1097 . 17 1 1 A 90 90 TYR HA H 90 4.766 5.154 -0.388 1
1 1101 . 17 1 1 A 91 91 ASP N N 91 116.300 124.920 -8.620 1
1 1102 . 17 1 1 A 91 91 ASP CA C 91 51.800 52.843 -1.043 1
1 1103 . 17 1 1 A 91 91 ASP CB C 91 42.265 43.239 -0.974 1
1 1104 . 17 1 1 A 91 91 ASP C C 91 175.823 175.375 0.448 1
1 1105 . 17 1 1 A 91 91 ASP H H 91 8.700 8.917 -0.217 1
1 1106 . 17 1 1 A 91 91 ASP HA H 91 5.098 5.296 -0.198 1
1 1109 . 17 1 1 A 92 92 PHE N N 92 128.100 125.222 2.878 1
1 1110 . 17 1 1 A 92 92 PHE CA C 92 58.830 57.908 0.922 1
1 1111 . 17 1 1 A 92 92 PHE CB C 92 31.850 39.130 -7.280 1
1 1112 . 17 1 1 A 92 92 PHE C C 92 173.437 175.758 -2.321 1
1 1113 . 17 1 1 A 92 92 PHE H H 92 9.540 8.881 0.659 1
1 1114 . 17 1 1 A 92 92 PHE HA H 92 4.480 4.776 -0.296 1
1 1117 . 17 1 1 A 93 93 ASP N N 93 122.100 123.538 -1.438 1
1 1118 . 17 1 1 A 93 93 ASP CA C 93 53.701 53.278 0.423 1
1 1119 . 17 1 1 A 93 93 ASP CB C 93 41.736 39.826 1.910 1
1 1120 . 17 1 1 A 93 93 ASP C C 93 175.548 176.032 -0.484 1
1 1121 . 17 1 1 A 93 93 ASP H H 93 7.812 8.603 -0.791 1
1 1122 . 17 1 1 A 93 93 ASP HA H 93 4.480 5.396 -0.916 1
1 1125 . 17 1 1 A 94 94 ARG N N 94 121.500 113.762 7.738 1
1 1126 . 17 1 1 A 94 94 ARG CA C 94 56.142 57.559 -1.417 1
1 1127 . 17 1 1 A 94 94 ARG CB C 94 30.173 28.038 2.135 1
1 1129 . 17 1 1 A 94 94 ARG C C 94 175.795 175.438 0.357 1
1 1130 . 17 1 1 A 94 94 ARG H H 94 8.264 8.193 0.071 1
1 1131 . 17 1 1 A 94 94 ARG HA H 94 4.000 4.013 -0.013 1
1 1138 . 17 1 1 A 95 95 PHE N N 95 118.600 118.132 0.468 1
1 1139 . 17 1 1 A 95 95 PHE CA C 95 59.850 58.927 0.923 1
1 1140 . 17 1 1 A 95 95 PHE CB C 95 38.955 40.033 -1.078 1
1 1141 . 17 1 1 A 95 95 PHE C C 95 172.969 174.906 -1.937 1
1 1142 . 17 1 1 A 95 95 PHE H H 95 6.889 7.934 -1.045 1
1 1143 . 17 1 1 A 95 95 PHE HA H 95 4.373 4.891 -0.518 1
1 1146 . 17 1 1 A 96 96 SER N N 96 114.200 112.144 2.056 1
1 1147 . 17 1 1 A 96 96 SER H H 96 8.027 8.176 -0.149 1
1 1148 . 17 1 1 A 96 96 SER CA C 96 57.596 56.344 1.252 1
1 1149 . 17 1 1 A 96 96 SER CB C 96 63.494 65.300 -1.806 1
1 1150 . 17 1 1 A 96 96 SER C C 96 174.149 174.000 0.149 1
1 1151 . 17 1 1 A 96 96 SER HA H 96 4.220 4.727 -0.507 1
1 1154 . 17 1 1 A 97 97 LYS N N 97 121.600 119.697 1.903 1
1 1155 . 17 1 1 A 97 97 LYS CA C 97 58.206 55.562 2.644 1
1 1156 . 17 1 1 A 97 97 LYS CB C 97 31.860 32.639 -0.779 1
1 1159 . 17 1 1 A 97 97 LYS H H 97 8.264 8.378 -0.114 1
1 1160 . 17 1 1 A 97 97 LYS HA H 97 4.202 5.529 -1.327 1
1 1161 . 17 1 1 A 97 97 LYS C C 97 175.599 175.779 -0.180 1
1 1170 . 17 1 1 A 98 98 HIS N N 98 119.000 121.516 -2.516 1
1 1171 . 17 1 1 A 98 98 HIS CA C 98 54.159 54.267 -0.108 1
1 1172 . 17 1 1 A 98 98 HIS CB C 98 30.040 31.066 -1.026 1
1 1173 . 17 1 1 A 98 98 HIS C C 98 174.050 173.775 0.275 1
1 1174 . 17 1 1 A 98 98 HIS H H 98 8.350 8.876 -0.526 1
1 1175 . 17 1 1 A 98 98 HIS HA H 98 4.784 5.105 -0.321 1
1 1178 . 17 1 1 A 99 99 ASP N N 99 122.600 122.928 -0.328 1
1 1179 . 17 1 1 A 99 99 ASP CA C 99 53.806 52.890 0.916 1
1 1180 . 17 1 1 A 99 99 ASP CB C 99 41.074 39.971 1.103 1
1 1181 . 17 1 1 A 99 99 ASP C C 99 174.346 174.940 -0.594 1
1 1182 . 17 1 1 A 99 99 ASP H H 99 8.812 8.625 0.187 1
1 1183 . 17 1 1 A 99 99 ASP HA H 99 4.781 4.988 -0.207 1
1 1186 . 17 1 1 A 100 100 ILE N N 100 122.400 119.798 2.602 1
1 1187 . 17 1 1 A 100 100 ILE CA C 100 60.989 59.944 1.045 1
1 1188 . 17 1 1 A 100 100 ILE CB C 100 38.823 39.071 -0.248 1
1 1192 . 17 1 1 A 100 100 ILE C C 100 174.431 175.620 -1.189 1
1 1193 . 17 1 1 A 100 100 ILE H H 100 8.075 7.678 0.397 1
1 1194 . 17 1 1 A 100 100 ILE HA H 100 3.405 4.706 -1.301 1
1 1204 . 17 1 1 A 101 101 ILE N N 101 127.400 123.642 3.758 1
1 1205 . 17 1 1 A 101 101 ILE CA C 101 63.380 61.998 1.382 1
1 1206 . 17 1 1 A 101 101 ILE CB C 101 38.058 38.718 -0.660 1
1 1210 . 17 1 1 A 101 101 ILE C C 101 175.859 176.456 -0.597 1
1 1211 . 17 1 1 A 101 101 ILE H H 101 9.219 8.609 0.610 1
1 1212 . 17 1 1 A 101 101 ILE HA H 101 3.869 4.355 -0.486 1
1 1219 . 17 1 1 A 102 102 GLY N N 102 101.500 109.435 -7.935 1
1 1220 . 17 1 1 A 102 102 GLY CA C 102 45.259 45.930 -0.671 1
1 1221 . 17 1 1 A 102 102 GLY C C 102 169.614 171.099 -1.485 1
1 1222 . 17 1 1 A 102 102 GLY H H 102 7.241 7.526 -0.285 1
1 1223 . 17 1 1 A 102 102 GLY HA3 H 102 4.024 4.143 -0.119 1
1 1224 . 17 1 1 A 102 102 GLY HA2 H 102 3.811 4.129 -0.318 1
1 1225 . 17 1 1 A 103 103 GLU N N 103 117.100 117.032 0.068 1
1 1226 . 17 1 1 A 103 103 GLU CA C 103 54.229 55.332 -1.103 1
1 1227 . 17 1 1 A 103 103 GLU CB C 103 34.012 33.035 0.977 1
1 1229 . 17 1 1 A 103 103 GLU C C 103 173.993 174.157 -0.164 1
1 1230 . 17 1 1 A 103 103 GLU H H 103 9.499 9.445 0.054 1
1 1231 . 17 1 1 A 103 103 GLU HA H 103 5.513 5.386 0.127 1
1 1236 . 17 1 1 A 104 104 PHE N N 104 115.900 121.835 -5.935 1
1 1237 . 17 1 1 A 104 104 PHE CA C 104 58.037 57.208 0.829 1
1 1238 . 17 1 1 A 104 104 PHE CB C 104 41.030 42.871 -1.841 1
1 1239 . 17 1 1 A 104 104 PHE C C 104 171.749 173.307 -1.558 1
1 1240 . 17 1 1 A 104 104 PHE H H 104 8.525 9.181 -0.656 1
1 1241 . 17 1 1 A 104 104 PHE HA H 104 4.731 5.170 -0.439 1
1 1244 . 17 1 1 A 105 105 LYS N N 105 118.900 126.243 -7.343 1
1 1245 . 17 1 1 A 105 105 LYS CA C 105 53.771 54.903 -1.132 1
1 1246 . 17 1 1 A 105 105 LYS CB C 105 34.953 34.629 0.324 1
1 1250 . 17 1 1 A 105 105 LYS H H 105 7.805 7.992 -0.187 1
1 1251 . 17 1 1 A 105 105 LYS HA H 105 5.188 4.880 0.308 1
1 1252 . 17 1 1 A 105 105 LYS C C 105 175.389 175.264 0.125 1
1 1261 . 17 1 1 A 106 106 VAL N N 106 121.400 123.651 -2.251 1
1 1262 . 17 1 1 A 106 106 VAL CA C 106 58.522 59.081 -0.559 1
1 1263 . 17 1 1 A 106 106 VAL CB C 106 34.050 35.245 -1.195 1
1 1266 . 17 1 1 A 106 106 VAL C C 106 173.300 173.716 -0.416 1
1 1267 . 17 1 1 A 106 106 VAL H H 106 9.276 8.879 0.397 1
1 1268 . 17 1 1 A 106 106 VAL HA H 106 4.430 4.466 -0.036 1
1 1276 . 17 1 1 A 107 107 PRO CA C 107 62.265 63.086 -0.821 1
1 1277 . 17 1 1 A 107 107 PRO CB C 107 31.157 32.230 -1.073 1
1 1280 . 17 1 1 A 107 107 PRO C C 107 178.967 178.083 0.884 1
1 1281 . 17 1 1 A 107 107 PRO HA H 107 4.703 4.478 0.225 1
1 1288 . 17 1 1 A 108 108 MET N N 108 126.300 123.868 2.432 1
1 1289 . 17 1 1 A 108 108 MET CA C 108 56.728 57.653 -0.925 1
1 1290 . 17 1 1 A 108 108 MET CB C 108 32.909 32.350 0.559 1
1 1292 . 17 1 1 A 108 108 MET C C 108 176.858 178.226 -1.368 1
1 1293 . 17 1 1 A 108 108 MET H H 108 8.716 8.406 0.310 1
1 1294 . 17 1 1 A 108 108 MET HA H 108 4.483 4.365 0.118 1
1 1299 . 17 1 1 A 109 109 ASN N N 109 115.600 116.501 -0.901 1
1 1300 . 17 1 1 A 109 109 ASN CA C 109 53.983 55.460 -1.477 1
1 1301 . 17 1 1 A 109 109 ASN CB C 109 36.227 36.920 -0.693 1
1 1302 . 17 1 1 A 109 109 ASN C C 109 175.789 176.671 -0.882 1
1 1303 . 17 1 1 A 109 109 ASN H H 109 8.342 8.888 -0.546 1
1 1304 . 17 1 1 A 109 109 ASN HA H 109 4.564 4.493 0.071 1
1 1310 . 17 1 1 A 110 110 THR N N 110 107.600 111.968 -4.368 1
1 1311 . 17 1 1 A 110 110 THR CA C 110 61.115 63.400 -2.285 1
1 1312 . 17 1 1 A 110 110 THR CB C 110 62.929 69.547 -6.618 1
1 1314 . 17 1 1 A 110 110 THR C C 110 173.508 174.562 -1.054 1
1 1315 . 17 1 1 A 110 110 THR H H 110 7.522 7.809 -0.287 1
1 1316 . 17 1 1 A 110 110 THR HA H 110 4.461 4.339 0.122 1
1 1319 . 17 1 1 A 111 111 VAL N N 111 123.700 120.183 3.517 1
1 1320 . 17 1 1 A 111 111 VAL CA C 111 61.782 61.924 -0.142 1
1 1321 . 17 1 1 A 111 111 VAL CB C 111 32.821 32.088 0.733 1
1 1324 . 17 1 1 A 111 111 VAL C C 111 173.903 175.033 -1.130 1
1 1325 . 17 1 1 A 111 111 VAL H H 111 6.960 7.509 -0.549 1
1 1326 . 17 1 1 A 111 111 VAL HA H 111 3.703 4.129 -0.426 1
1 1334 . 17 1 1 A 112 112 ASP N N 112 125.800 128.378 -2.578 1
1 1335 . 17 1 1 A 112 112 ASP CA C 112 51.777 54.658 -2.881 1
1 1336 . 17 1 1 A 112 112 ASP CB C 112 40.648 41.539 -0.891 1
1 1337 . 17 1 1 A 112 112 ASP C C 112 175.407 174.976 0.431 1
1 1338 . 17 1 1 A 112 112 ASP H H 112 8.341 8.815 -0.474 1
1 1339 . 17 1 1 A 112 112 ASP HA H 112 4.719 5.059 -0.340 1
1 1342 . 17 1 1 A 113 113 PHE N N 113 122.700 124.627 -1.927 1
1 1343 . 17 1 1 A 113 113 PHE CA C 113 59.887 56.139 3.748 1
1 1344 . 17 1 1 A 113 113 PHE CB C 113 37.999 36.659 1.340 1
1 1345 . 17 1 1 A 113 113 PHE C C 113 175.854 176.484 -0.630 1
1 1346 . 17 1 1 A 113 113 PHE H H 113 8.391 8.930 -0.539 1
1 1347 . 17 1 1 A 113 113 PHE HA H 113 4.670 4.724 -0.054 1
1 1350 . 17 1 1 A 114 114 GLY N N 114 108.608 109.755 -1.147 1
1 1351 . 17 1 1 A 114 114 GLY CA C 114 45.657 47.313 -1.656 1
1 1352 . 17 1 1 A 114 114 GLY C C 114 172.963 175.610 -2.647 1
1 1353 . 17 1 1 A 114 114 GLY H H 114 8.953 8.281 0.672 1
1 1354 . 17 1 1 A 114 114 GLY HA3 H 114 4.018 3.698 0.320 1
1 1355 . 17 1 1 A 114 114 GLY HA2 H 114 3.912 3.561 0.351 1
1 1356 . 17 1 1 A 115 115 HIS N N 115 114.926 120.800 -5.874 1
1 1357 . 17 1 1 A 115 115 HIS CA C 115 53.533 56.589 -3.056 1
1 1358 . 17 1 1 A 115 115 HIS CB C 115 30.349 30.183 0.166 1
1 1359 . 17 1 1 A 115 115 HIS C C 115 172.453 174.014 -1.561 1
1 1360 . 17 1 1 A 115 115 HIS H H 115 7.510 8.092 -0.582 1
1 1361 . 17 1 1 A 115 115 HIS HA H 115 4.868 4.955 -0.087 1
1 1364 . 17 1 1 A 116 116 VAL N N 116 122.100 116.808 5.292 1
1 1365 . 17 1 1 A 116 116 VAL CA C 116 62.992 60.284 2.708 1
1 1366 . 17 1 1 A 116 116 VAL CB C 116 31.850 33.834 -1.984 1
1 1369 . 17 1 1 A 116 116 VAL C C 116 176.352 174.364 1.988 1
1 1370 . 17 1 1 A 116 116 VAL H H 116 8.460 7.788 0.672 1
1 1371 . 17 1 1 A 116 116 VAL HA H 116 4.268 4.537 -0.269 1
1 1379 . 17 1 1 A 117 117 THR N N 117 124.700 122.266 2.434 1
1 1380 . 17 1 1 A 117 117 THR CA C 117 61.694 62.068 -0.374 1
1 1381 . 17 1 1 A 117 117 THR CB C 117 70.001 68.245 1.756 1
1 1383 . 17 1 1 A 117 117 THR C C 117 172.762 173.514 -0.752 1
1 1384 . 17 1 1 A 117 117 THR H H 117 8.550 9.435 -0.885 1
1 1385 . 17 1 1 A 117 117 THR HA H 117 4.460 4.507 -0.047 1
1 1388 . 17 1 1 A 118 118 GLU N N 118 126.000 125.468 0.532 1
1 1389 . 17 1 1 A 118 118 GLU CA C 118 55.038 54.971 0.067 1
1 1390 . 17 1 1 A 118 118 GLU CB C 118 30.835 31.115 -0.280 1
1 1392 . 17 1 1 A 118 118 GLU C C 118 174.419 174.682 -0.263 1
1 1393 . 17 1 1 A 118 118 GLU H H 118 8.382 8.655 -0.273 1
1 1394 . 17 1 1 A 118 118 GLU HA H 118 4.776 5.102 -0.326 1
1 1399 . 17 1 1 A 119 119 GLU N N 119 123.000 121.183 1.817 1
1 1400 . 17 1 1 A 119 119 GLU CA C 119 54.292 54.655 -0.363 1
1 1401 . 17 1 1 A 119 119 GLU CB C 119 32.909 33.213 -0.304 1
1 1403 . 17 1 1 A 119 119 GLU C C 119 173.072 174.413 -1.341 1
1 1404 . 17 1 1 A 119 119 GLU H H 119 8.057 8.850 -0.793 1
1 1405 . 17 1 1 A 119 119 GLU HA H 119 4.631 4.244 0.387 1
1 1410 . 17 1 1 A 120 120 TRP N N 120 118.300 121.967 -3.667 1
1 1411 . 17 1 1 A 120 120 TRP C C 120 177.336 175.230 2.106 1
1 1412 . 17 1 1 A 120 120 TRP CA C 120 55.672 56.587 -0.915 1
1 1413 . 17 1 1 A 120 120 TRP CB C 120 31.259 29.570 1.689 1
1 1414 . 17 1 1 A 120 120 TRP H H 120 8.212 8.210 0.002 1
1 1415 . 17 1 1 A 120 120 TRP HA H 120 5.322 5.140 0.182 1
1 1424 . 17 1 1 A 121 121 ARG N N 121 120.900 126.496 -5.596 1
1 1425 . 17 1 1 A 121 121 ARG CA C 121 53.631 54.034 -0.403 1
1 1426 . 17 1 1 A 121 121 ARG CB C 121 32.865 33.202 -0.337 1
1 1429 . 17 1 1 A 121 121 ARG C C 121 174.321 174.980 -0.659 1
1 1430 . 17 1 1 A 121 121 ARG H H 121 9.012 8.923 0.089 1
1 1431 . 17 1 1 A 121 121 ARG HA H 121 4.488 4.822 -0.334 1
1 1438 . 17 1 1 A 122 122 ASP N N 122 121.600 124.318 -2.718 1
1 1439 . 17 1 1 A 122 122 ASP CA C 122 53.795 52.632 1.163 1
1 1440 . 17 1 1 A 122 122 ASP CB C 122 40.544 41.928 -1.384 1
1 1441 . 17 1 1 A 122 122 ASP C C 122 176.041 174.803 1.238 1
1 1442 . 17 1 1 A 122 122 ASP H H 122 8.226 8.444 -0.218 1
1 1443 . 17 1 1 A 122 122 ASP HA H 122 4.791 5.310 -0.519 1
1 1446 . 17 1 1 A 123 123 LEU N N 123 120.700 125.543 -4.843 1
1 1447 . 17 1 1 A 123 123 LEU CA C 123 54.997 54.171 0.826 1
1 1448 . 17 1 1 A 123 123 LEU CB C 123 41.765 42.183 -0.418 1
1 1452 . 17 1 1 A 123 123 LEU C C 123 175.964 176.789 -0.825 1
1 1453 . 17 1 1 A 123 123 LEU H H 123 8.436 8.842 -0.406 1
1 1454 . 17 1 1 A 123 123 LEU HA H 123 4.125 4.900 -0.775 1
1 1464 . 17 1 1 A 124 124 GLN N N 124 119.200 124.897 -5.697 1
1 1466 . 17 1 1 A 124 124 GLN CA C 124 53.278 55.459 -2.181 1
1 1467 . 17 1 1 A 124 124 GLN CB C 124 31.232 29.808 1.424 1
1 1469 . 17 1 1 A 124 124 GLN C C 124 175.183 175.362 -0.179 1
1 1470 . 17 1 1 A 124 124 GLN H H 124 9.020 9.008 0.012 1
1 1471 . 17 1 1 A 124 124 GLN HA H 124 4.738 4.678 0.060 1
1 1478 . 17 1 1 A 125 125 SER N N 125 115.300 118.686 -3.386 1
1 1479 . 17 1 1 A 125 125 SER H H 125 8.543 8.810 -0.267 1
1 1480 . 17 1 1 A 125 125 SER CA C 125 58.477 58.146 0.331 1
1 1481 . 17 1 1 A 125 125 SER CB C 125 63.274 63.065 0.209 1
1 1482 . 17 1 1 A 125 125 SER C C 125 174.609 173.878 0.731 1
1 1483 . 17 1 1 A 125 125 SER HA H 125 4.235 5.033 -0.798 1
1 1486 . 17 1 1 A 126 126 ALA N N 126 126.900 130.596 -3.696 1
1 1487 . 17 1 1 A 126 126 ALA CA C 126 51.636 50.466 1.170 1
1 1488 . 17 1 1 A 126 126 ALA CB C 126 19.845 21.142 -1.297 1
1 1489 . 17 1 1 A 126 126 ALA C C 126 176.876 176.626 0.250 1
1 1490 . 17 1 1 A 126 126 ALA H H 126 8.640 8.865 -0.225 1
1 1491 . 17 1 1 A 126 126 ALA HA H 126 4.216 5.224 -1.008 1
1 1495 . 17 1 1 A 127 127 GLU N N 127 120.600 122.446 -1.846 1
1 1496 . 17 1 1 A 127 127 GLU CA C 127 56.142 55.238 0.904 1
1 1497 . 17 1 1 A 127 127 GLU CB C 127 29.996 28.865 1.131 1
1 1499 . 17 1 1 A 127 127 GLU C C 127 175.129 175.049 0.080 1
1 1500 . 17 1 1 A 127 127 GLU H H 127 8.204 8.767 -0.563 1
1 1501 . 17 1 1 A 127 127 GLU HA H 127 4.176 4.619 -0.443 1
1 12 . 18 1 1 A 2 2 LYS N N 2 123.200 118.155 5.045 1
1 13 . 18 1 1 A 2 2 LYS CA C 2 55.550 55.432 0.118 1
1 14 . 18 1 1 A 2 2 LYS CB C 2 31.730 33.385 -1.655 1
1 18 . 18 1 1 A 2 2 LYS H H 2 8.320 8.758 -0.438 1
1 19 . 18 1 1 A 2 2 LYS C C 2 176.041 175.559 0.482 1
1 20 . 18 1 1 A 2 2 LYS HA H 2 4.413 4.891 -0.478 1
1 29 . 18 1 1 A 3 3 LEU N N 3 124.700 125.118 -0.418 1
1 30 . 18 1 1 A 3 3 LEU CA C 3 53.800 55.558 -1.758 1
1 31 . 18 1 1 A 3 3 LEU CB C 3 43.351 42.974 0.377 1
1 35 . 18 1 1 A 3 3 LEU C C 3 173.289 176.879 -3.590 1
1 36 . 18 1 1 A 3 3 LEU H H 3 8.319 9.211 -0.892 1
1 37 . 18 1 1 A 3 3 LEU HA H 3 4.363 4.392 -0.029 1
1 47 . 18 1 1 A 4 4 GLY N N 4 102.100 105.724 -3.624 1
1 48 . 18 1 1 A 4 4 GLY CA C 4 44.232 44.366 -0.134 1
1 49 . 18 1 1 A 4 4 GLY C C 4 174.476 172.982 1.494 1
1 50 . 18 1 1 A 4 4 GLY H H 4 7.412 7.844 -0.432 1
1 51 . 18 1 1 A 4 4 GLY HA3 H 4 4.367 4.040 0.327 1
1 52 . 18 1 1 A 4 4 GLY HA2 H 4 3.662 4.035 -0.373 1
1 53 . 18 1 1 A 5 5 LYS N N 5 114.993 120.504 -5.511 1
1 54 . 18 1 1 A 5 5 LYS CA C 5 54.807 54.664 0.143 1
1 55 . 18 1 1 A 5 5 LYS CB C 5 36.664 36.865 -0.201 1
1 59 . 18 1 1 A 5 5 LYS C C 5 173.762 174.842 -1.080 1
1 60 . 18 1 1 A 5 5 LYS H H 5 8.748 8.301 0.447 1
1 61 . 18 1 1 A 5 5 LYS HA H 5 5.333 5.208 0.125 1
1 70 . 18 1 1 A 6 6 LEU N N 6 122.195 123.682 -1.487 1
1 71 . 18 1 1 A 6 6 LEU CA C 6 53.760 53.617 0.143 1
1 72 . 18 1 1 A 6 6 LEU CB C 6 47.948 44.672 3.276 1
1 76 . 18 1 1 A 6 6 LEU C C 6 172.524 174.413 -1.889 1
1 77 . 18 1 1 A 6 6 LEU H H 6 9.058 9.701 -0.643 1
1 78 . 18 1 1 A 6 6 LEU HA H 6 5.312 6.274 -0.962 1
1 88 . 18 1 1 A 7 7 GLN N N 7 127.800 127.310 0.490 1
1 90 . 18 1 1 A 7 7 GLN CA C 7 52.595 55.227 -2.632 1
1 91 . 18 1 1 A 7 7 GLN CB C 7 28.032 29.803 -1.771 1
1 93 . 18 1 1 A 7 7 GLN C C 7 173.707 175.356 -1.649 1
1 94 . 18 1 1 A 7 7 GLN H H 7 8.945 8.456 0.489 1
1 95 . 18 1 1 A 7 7 GLN HA H 7 5.170 5.238 -0.068 1
1 102 . 18 1 1 A 8 8 TYR N N 8 125.700 123.319 2.381 1
1 103 . 18 1 1 A 8 8 TYR CA C 8 54.578 57.548 -2.970 1
1 104 . 18 1 1 A 8 8 TYR CB C 8 42.236 40.344 1.892 1
1 105 . 18 1 1 A 8 8 TYR C C 8 171.582 174.044 -2.462 1
1 106 . 18 1 1 A 8 8 TYR H H 8 8.445 8.471 -0.026 1
1 107 . 18 1 1 A 8 8 TYR HA H 8 5.401 4.972 0.429 1
1 110 . 18 1 1 A 9 9 SER N N 9 113.300 115.292 -1.992 1
1 111 . 18 1 1 A 9 9 SER H H 9 9.486 8.399 1.087 1
1 112 . 18 1 1 A 9 9 SER CA C 9 55.195 56.501 -1.306 1
1 113 . 18 1 1 A 9 9 SER CB C 9 67.116 65.400 1.716 1
1 114 . 18 1 1 A 9 9 SER C C 9 173.486 173.328 0.158 1
1 115 . 18 1 1 A 9 9 SER HA H 9 5.400 5.537 -0.137 1
1 118 . 18 1 1 A 10 10 LEU N N 10 120.700 127.149 -6.449 1
1 119 . 18 1 1 A 10 10 LEU CA C 10 53.388 53.465 -0.077 1
1 120 . 18 1 1 A 10 10 LEU CB C 10 46.946 44.773 2.173 1
1 121 . 18 1 1 A 10 10 LEU C C 10 174.640 175.137 -0.497 1
1 125 . 18 1 1 A 10 10 LEU H H 10 8.698 9.883 -1.185 1
1 126 . 18 1 1 A 10 10 LEU HA H 10 5.471 5.298 0.173 1
1 136 . 18 1 1 A 11 11 ASP N N 11 119.760 122.738 -2.978 1
1 137 . 18 1 1 A 11 11 ASP CA C 11 52.525 52.260 0.265 1
1 138 . 18 1 1 A 11 11 ASP CB C 11 44.683 44.862 -0.179 1
1 139 . 18 1 1 A 11 11 ASP C C 11 173.093 173.850 -0.757 1
1 140 . 18 1 1 A 11 11 ASP H H 11 8.673 9.447 -0.774 1
1 141 . 18 1 1 A 11 11 ASP HA H 11 5.126 5.698 -0.572 1
1 144 . 18 1 1 A 12 12 TYR N N 12 124.200 121.446 2.754 1
1 145 . 18 1 1 A 12 12 TYR CA C 12 57.883 56.342 1.541 1
1 146 . 18 1 1 A 12 12 TYR CB C 12 40.054 41.976 -1.922 1
1 147 . 18 1 1 A 12 12 TYR C C 12 171.962 173.462 -1.500 1
1 148 . 18 1 1 A 12 12 TYR H H 12 8.898 8.948 -0.050 1
1 149 . 18 1 1 A 12 12 TYR HA H 12 4.609 5.282 -0.673 1
1 154 . 18 1 1 A 13 13 ASP N N 13 126.400 129.067 -2.667 1
1 155 . 18 1 1 A 13 13 ASP CA C 13 51.141 52.483 -1.342 1
1 156 . 18 1 1 A 13 13 ASP CB C 13 40.891 40.898 -0.007 1
1 157 . 18 1 1 A 13 13 ASP C C 13 175.599 176.220 -0.621 1
1 158 . 18 1 1 A 13 13 ASP H H 13 8.018 8.505 -0.487 1
1 159 . 18 1 1 A 13 13 ASP HA H 13 4.591 4.528 0.063 1
1 162 . 18 1 1 A 14 14 PHE N N 14 123.575 123.918 -0.343 1
1 163 . 18 1 1 A 14 14 PHE CA C 14 60.734 58.309 2.425 1
1 164 . 18 1 1 A 14 14 PHE CB C 14 38.821 38.242 0.579 1
1 165 . 18 1 1 A 14 14 PHE C C 14 176.704 175.909 0.795 1
1 166 . 18 1 1 A 14 14 PHE H H 14 8.540 7.587 0.953 1
1 167 . 18 1 1 A 14 14 PHE HA H 14 4.187 3.806 0.381 1
1 170 . 18 1 1 A 15 15 GLN N N 15 118.500 117.054 1.446 1
1 172 . 18 1 1 A 15 15 GLN CA C 15 57.927 55.816 2.111 1
1 173 . 18 1 1 A 15 15 GLN CB C 15 28.129 27.587 0.542 1
1 175 . 18 1 1 A 15 15 GLN C C 15 176.646 176.627 0.019 1
1 176 . 18 1 1 A 15 15 GLN H H 15 8.307 7.063 1.244 1
1 177 . 18 1 1 A 15 15 GLN HA H 15 4.150 4.174 -0.024 1
1 184 . 18 1 1 A 16 16 ASN N N 16 113.392 116.664 -3.272 1
1 185 . 18 1 1 A 16 16 ASN CA C 16 52.051 51.883 0.168 1
1 186 . 18 1 1 A 16 16 ASN CB C 16 39.238 37.838 1.400 1
1 187 . 18 1 1 A 16 16 ASN C C 16 173.191 175.557 -2.366 1
1 188 . 18 1 1 A 16 16 ASN H H 16 7.347 7.502 -0.155 1
1 189 . 18 1 1 A 16 16 ASN HA H 16 4.682 4.674 0.008 1
1 195 . 18 1 1 A 17 17 ASN N N 17 118.200 116.827 1.373 1
1 196 . 18 1 1 A 17 17 ASN CA C 17 54.524 54.178 0.346 1
1 197 . 18 1 1 A 17 17 ASN CB C 17 36.825 37.327 -0.502 1
1 198 . 18 1 1 A 17 17 ASN C C 17 175.797 174.563 1.234 1
1 199 . 18 1 1 A 17 17 ASN H H 17 7.682 8.113 -0.431 1
1 200 . 18 1 1 A 17 17 ASN HA H 17 4.300 4.605 -0.305 1
1 206 . 18 1 1 A 18 18 GLN N N 18 110.518 119.898 -9.380 1
1 208 . 18 1 1 A 18 18 GLN CA C 18 52.888 54.943 -2.055 1
1 209 . 18 1 1 A 18 18 GLN CB C 18 31.353 32.402 -1.049 1
1 211 . 18 1 1 A 18 18 GLN C C 18 171.717 174.352 -2.635 1
1 212 . 18 1 1 A 18 18 GLN H H 18 6.757 7.879 -1.122 1
1 213 . 18 1 1 A 18 18 GLN HA H 18 4.911 4.979 -0.068 1
1 220 . 18 1 1 A 19 19 LEU N N 19 124.400 127.628 -3.228 1
1 221 . 18 1 1 A 19 19 LEU CA C 19 53.873 54.228 -0.355 1
1 222 . 18 1 1 A 19 19 LEU CB C 19 44.558 42.189 2.369 1
1 226 . 18 1 1 A 19 19 LEU C C 19 173.731 176.125 -2.394 1
1 227 . 18 1 1 A 19 19 LEU H H 19 9.048 8.865 0.183 1
1 228 . 18 1 1 A 19 19 LEU HA H 19 4.543 4.607 -0.064 1
1 238 . 18 1 1 A 20 20 LEU N N 20 128.415 124.373 4.042 1
1 239 . 18 1 1 A 20 20 LEU CA C 20 53.695 53.633 0.062 1
1 240 . 18 1 1 A 20 20 LEU CB C 20 41.956 46.119 -4.163 1
1 244 . 18 1 1 A 20 20 LEU C C 20 175.696 174.561 1.135 1
1 245 . 18 1 1 A 20 20 LEU H H 20 9.021 9.270 -0.249 1
1 246 . 18 1 1 A 20 20 LEU HA H 20 4.852 5.264 -0.412 1
1 256 . 18 1 1 A 21 21 VAL N N 21 125.838 123.021 2.817 1
1 257 . 18 1 1 A 21 21 VAL CA C 21 60.511 60.716 -0.205 1
1 258 . 18 1 1 A 21 21 VAL CB C 21 45.331 32.294 13.037 1
1 260 . 18 1 1 A 21 21 VAL C C 21 173.979 174.426 -0.447 1
1 261 . 18 1 1 A 21 21 VAL H H 21 9.073 9.109 -0.036 1
1 262 . 18 1 1 A 21 21 VAL HA H 21 4.853 4.914 -0.061 1
1 270 . 18 1 1 A 22 22 GLY N N 22 117.254 112.794 4.460 1
1 271 . 18 1 1 A 22 22 GLY CA C 22 43.843 45.919 -2.076 1
1 272 . 18 1 1 A 22 22 GLY C C 22 172.485 174.317 -1.832 1
1 273 . 18 1 1 A 22 22 GLY H H 22 9.486 9.054 0.432 1
1 274 . 18 1 1 A 22 22 GLY HA3 H 22 4.653 4.240 0.413 1
1 275 . 18 1 1 A 22 22 GLY HA2 H 22 3.520 4.237 -0.717 1
1 276 . 18 1 1 A 23 23 ILE N N 23 125.106 122.158 2.948 1
1 277 . 18 1 1 A 23 23 ILE CA C 23 58.182 59.778 -1.596 1
1 278 . 18 1 1 A 23 23 ILE CB C 23 35.290 38.363 -3.073 1
1 282 . 18 1 1 A 23 23 ILE C C 23 174.346 176.100 -1.754 1
1 283 . 18 1 1 A 23 23 ILE H H 23 8.831 8.687 0.144 1
1 284 . 18 1 1 A 23 23 ILE HA H 23 4.330 4.972 -0.642 1
1 294 . 18 1 1 A 24 24 ILE N N 24 126.735 121.221 5.514 1
1 295 . 18 1 1 A 24 24 ILE CA C 24 65.005 62.716 2.289 1
1 296 . 18 1 1 A 24 24 ILE CB C 24 37.790 38.331 -0.541 1
1 300 . 18 1 1 A 24 24 ILE C C 24 177.149 176.247 0.902 1
1 301 . 18 1 1 A 24 24 ILE H H 24 8.365 8.530 -0.165 1
1 302 . 18 1 1 A 24 24 ILE HA H 24 3.903 4.154 -0.251 1
1 312 . 18 1 1 A 25 25 GLN N N 25 110.662 114.843 -4.181 1
1 314 . 18 1 1 A 25 25 GLN CA C 25 54.295 54.403 -0.108 1
1 315 . 18 1 1 A 25 25 GLN CB C 25 30.953 32.062 -1.109 1
1 317 . 18 1 1 A 25 25 GLN C C 25 171.152 173.492 -2.340 1
1 318 . 18 1 1 A 25 25 GLN H H 25 7.706 7.672 0.034 1
1 319 . 18 1 1 A 25 25 GLN HA H 25 5.123 4.730 0.393 1
1 325 . 18 1 1 A 26 26 ALA N N 26 121.300 123.039 -1.739 1
1 326 . 18 1 1 A 26 26 ALA CA C 26 49.951 50.287 -0.336 1
1 327 . 18 1 1 A 26 26 ALA CB C 26 22.406 22.558 -0.152 1
1 328 . 18 1 1 A 26 26 ALA C C 26 171.937 175.809 -3.872 1
1 329 . 18 1 1 A 26 26 ALA H H 26 9.195 8.241 0.954 1
1 330 . 18 1 1 A 26 26 ALA HA H 26 5.740 5.883 -0.143 1
1 334 . 18 1 1 A 27 27 ALA N N 27 120.100 121.419 -1.319 1
1 335 . 18 1 1 A 27 27 ALA CA C 27 50.524 50.648 -0.124 1
1 336 . 18 1 1 A 27 27 ALA CB C 27 24.047 21.637 2.410 1
1 337 . 18 1 1 A 27 27 ALA C C 27 174.984 177.171 -2.187 1
1 338 . 18 1 1 A 27 27 ALA H H 27 9.118 8.480 0.638 1
1 339 . 18 1 1 A 27 27 ALA HA H 27 5.353 4.804 0.549 1
1 343 . 18 1 1 A 28 28 GLU N N 28 112.600 122.819 -10.219 1
1 344 . 18 1 1 A 28 28 GLU CA C 28 56.032 57.254 -1.222 1
1 345 . 18 1 1 A 28 28 GLU CB C 28 25.966 27.211 -1.245 1
1 347 . 18 1 1 A 28 28 GLU C C 28 174.427 175.780 -1.353 1
1 348 . 18 1 1 A 28 28 GLU H H 28 8.453 8.874 -0.421 1
1 349 . 18 1 1 A 28 28 GLU HA H 28 3.648 4.015 -0.367 1
1 354 . 18 1 1 A 29 29 LEU N N 29 116.093 121.109 -5.016 1
1 355 . 18 1 1 A 29 29 LEU CA C 29 53.295 53.421 -0.126 1
1 356 . 18 1 1 A 29 29 LEU CB C 29 39.640 41.080 -1.440 1
1 360 . 18 1 1 A 29 29 LEU C C 29 173.800 174.511 -0.711 1
1 361 . 18 1 1 A 29 29 LEU H H 29 7.951 8.079 -0.128 1
1 362 . 18 1 1 A 29 29 LEU HA H 29 4.330 4.606 -0.276 1
1 372 . 18 1 1 A 30 30 PRO CA C 30 61.760 62.585 -0.825 1
1 373 . 18 1 1 A 30 30 PRO CB C 30 31.492 31.958 -0.466 1
1 376 . 18 1 1 A 30 30 PRO C C 30 175.525 176.800 -1.275 1
1 377 . 18 1 1 A 30 30 PRO HA H 30 4.327 4.464 -0.137 1
1 383 . 18 1 1 A 31 31 ALA N N 31 122.487 124.358 -1.871 1
1 384 . 18 1 1 A 31 31 ALA CA C 31 50.604 52.564 -1.960 1
1 385 . 18 1 1 A 31 31 ALA CB C 31 18.576 19.412 -0.836 1
1 386 . 18 1 1 A 31 31 ALA C C 31 177.222 177.573 -0.351 1
1 387 . 18 1 1 A 31 31 ALA H H 31 8.128 8.361 -0.233 1
1 388 . 18 1 1 A 31 31 ALA HA H 31 4.130 4.474 -0.344 1
1 392 . 18 1 1 A 32 32 LEU N N 32 124.400 123.435 0.965 1
1 393 . 18 1 1 A 32 32 LEU CA C 32 55.041 53.814 1.227 1
1 394 . 18 1 1 A 32 32 LEU CB C 32 42.916 42.202 0.714 1
1 398 . 18 1 1 A 32 32 LEU C C 32 176.852 175.015 1.837 1
1 399 . 18 1 1 A 32 32 LEU H H 32 8.035 8.829 -0.794 1
1 400 . 18 1 1 A 32 32 LEU HA H 32 4.240 4.658 -0.418 1
1 410 . 18 1 1 A 33 33 ASP N N 33 119.800 120.127 -0.327 1
1 411 . 18 1 1 A 33 33 ASP CA C 33 52.948 53.308 -0.360 1
1 412 . 18 1 1 A 33 33 ASP CB C 33 41.578 44.886 -3.308 1
1 413 . 18 1 1 A 33 33 ASP C C 33 176.200 173.942 2.258 1
1 414 . 18 1 1 A 33 33 ASP H H 33 8.400 7.512 0.888 1
1 415 . 18 1 1 A 33 33 ASP HA H 33 4.785 5.125 -0.340 1
1 418 . 18 1 1 A 34 34 MET N N 34 120.000 122.256 -2.256 1
1 419 . 18 1 1 A 34 34 MET CA C 34 56.561 54.540 2.021 1
1 420 . 18 1 1 A 34 34 MET CB C 34 31.288 31.059 0.229 1
1 422 . 18 1 1 A 34 34 MET C C 34 176.483 176.685 -0.202 1
1 423 . 18 1 1 A 34 34 MET H H 34 8.492 8.890 -0.398 1
1 424 . 18 1 1 A 34 34 MET HA H 34 4.213 4.537 -0.324 1
1 429 . 18 1 1 A 35 35 GLY N N 35 110.400 109.755 0.645 1
1 430 . 18 1 1 A 35 35 GLY CA C 35 44.884 45.498 -0.614 1
1 431 . 18 1 1 A 35 35 GLY C C 35 174.831 175.169 -0.338 1
1 432 . 18 1 1 A 35 35 GLY H H 35 8.668 8.106 0.562 1
1 433 . 18 1 1 A 35 35 GLY HA3 H 35 4.039 4.081 -0.042 1
1 434 . 18 1 1 A 35 35 GLY HA2 H 35 3.818 4.071 -0.253 1
1 435 . 18 1 1 A 36 36 GLY N N 36 107.400 109.691 -2.291 1
1 436 . 18 1 1 A 36 36 GLY CA C 36 45.427 46.660 -1.233 1
1 437 . 18 1 1 A 36 36 GLY C C 36 173.194 173.577 -0.383 1
1 438 . 18 1 1 A 36 36 GLY H H 36 8.008 8.072 -0.064 1
1 439 . 18 1 1 A 36 36 GLY HA3 H 36 4.000 3.933 0.067 1
1 440 . 18 1 1 A 36 36 GLY HA2 H 36 3.861 3.932 -0.071 1
1 441 . 18 1 1 A 37 37 THR N N 37 111.100 110.427 0.673 1
1 442 . 18 1 1 A 37 37 THR CA C 37 59.954 59.645 0.309 1
1 443 . 18 1 1 A 37 37 THR CB C 37 70.589 72.888 -2.299 1
1 445 . 18 1 1 A 37 37 THR C C 37 171.355 172.497 -1.142 1
1 446 . 18 1 1 A 37 37 THR H H 37 7.476 7.524 -0.048 1
1 447 . 18 1 1 A 37 37 THR HA H 37 4.511 5.053 -0.542 1
1 450 . 18 1 1 A 38 38 SER N N 38 115.811 115.161 0.650 1
1 451 . 18 1 1 A 38 38 SER CA C 38 57.664 56.467 1.197 1
1 452 . 18 1 1 A 38 38 SER CB C 38 70.510 66.405 4.105 1
1 453 . 18 1 1 A 38 38 SER C C 38 170.198 173.318 -3.120 1
1 454 . 18 1 1 A 38 38 SER H H 38 7.257 8.878 -1.621 1
1 455 . 18 1 1 A 38 38 SER HA H 38 4.707 5.190 -0.483 1
1 458 . 18 1 1 A 39 39 ASP N N 39 121.288 120.754 0.534 1
1 459 . 18 1 1 A 39 39 ASP CA C 39 51.058 51.752 -0.694 1
1 460 . 18 1 1 A 39 39 ASP CB C 39 42.210 41.870 0.340 1
1 461 . 18 1 1 A 39 39 ASP C C 39 172.500 173.651 -1.151 1
1 462 . 18 1 1 A 39 39 ASP H H 39 8.698 9.012 -0.314 1
1 463 . 18 1 1 A 39 39 ASP HA H 39 5.940 6.202 -0.262 1
1 466 . 18 1 1 A 40 40 PRO CA C 40 62.440 62.930 -0.490 1
1 467 . 18 1 1 A 40 40 PRO CB C 40 34.370 32.967 1.403 1
1 470 . 18 1 1 A 40 40 PRO C C 40 176.317 176.165 0.152 1
1 471 . 18 1 1 A 40 40 PRO HA H 40 5.826 4.957 0.869 1
1 478 . 18 1 1 A 41 41 TYR N N 41 113.769 118.485 -4.716 1
1 479 . 18 1 1 A 41 41 TYR CA C 41 56.150 57.030 -0.880 1
1 480 . 18 1 1 A 41 41 TYR CB C 41 40.246 41.121 -0.875 1
1 481 . 18 1 1 A 41 41 TYR C C 41 171.425 172.812 -1.387 1
1 482 . 18 1 1 A 41 41 TYR H H 41 8.703 8.813 -0.110 1
1 483 . 18 1 1 A 41 41 TYR HA H 41 4.795 5.295 -0.500 1
1 487 . 18 1 1 A 42 42 VAL N N 42 119.919 124.484 -4.565 1
1 488 . 18 1 1 A 42 42 VAL CA C 42 60.064 61.944 -1.880 1
1 489 . 18 1 1 A 42 42 VAL CB C 42 33.816 32.627 1.189 1
1 492 . 18 1 1 A 42 42 VAL C C 42 174.456 175.793 -1.337 1
1 493 . 18 1 1 A 42 42 VAL HA H 42 5.020 4.560 0.460 1
1 501 . 18 1 1 A 43 43 LYS N N 43 125.776 124.641 1.135 1
1 502 . 18 1 1 A 43 43 LYS CA C 43 54.601 55.325 -0.724 1
1 503 . 18 1 1 A 43 43 LYS CB C 43 36.096 33.915 2.181 1
1 507 . 18 1 1 A 43 43 LYS C C 43 174.518 175.801 -1.283 1
1 508 . 18 1 1 A 43 43 LYS H H 43 9.415 9.328 0.087 1
1 509 . 18 1 1 A 43 43 LYS HA H 43 5.374 5.127 0.247 1
1 518 . 18 1 1 A 44 44 VAL N N 44 121.484 124.888 -3.404 1
1 519 . 18 1 1 A 44 44 VAL CA C 44 59.365 61.748 -2.383 1
1 520 . 18 1 1 A 44 44 VAL CB C 44 34.818 32.287 2.531 1
1 523 . 18 1 1 A 44 44 VAL C C 44 173.928 175.222 -1.294 1
1 524 . 18 1 1 A 44 44 VAL H H 44 8.845 8.639 0.206 1
1 525 . 18 1 1 A 44 44 VAL HA H 44 5.326 4.685 0.641 1
1 533 . 18 1 1 A 45 45 PHE N N 45 120.600 128.578 -7.978 1
1 534 . 18 1 1 A 45 45 PHE CA C 45 55.886 56.830 -0.944 1
1 535 . 18 1 1 A 45 45 PHE CB C 45 39.882 43.041 -3.159 1
1 536 . 18 1 1 A 45 45 PHE C C 45 171.102 173.050 -1.948 1
1 537 . 18 1 1 A 45 45 PHE H H 45 8.254 8.781 -0.527 1
1 538 . 18 1 1 A 45 45 PHE HA H 45 4.971 5.262 -0.291 1
1 541 . 18 1 1 A 46 46 LEU N N 46 121.444 122.898 -1.454 1
1 542 . 18 1 1 A 46 46 LEU CA C 46 52.376 53.668 -1.292 1
1 543 . 18 1 1 A 46 46 LEU CB C 46 43.229 45.740 -2.511 1
1 547 . 18 1 1 A 46 46 LEU C C 46 176.176 175.407 0.769 1
1 548 . 18 1 1 A 46 46 LEU H H 46 9.137 8.629 0.508 1
1 549 . 18 1 1 A 46 46 LEU HA H 46 4.189 5.521 -1.332 1
1 559 . 18 1 1 A 47 47 LEU N N 47 123.900 122.887 1.013 1
1 560 . 18 1 1 A 47 47 LEU CA C 47 52.926 52.376 0.550 1
1 561 . 18 1 1 A 47 47 LEU CB C 47 41.010 43.582 -2.572 1
1 565 . 18 1 1 A 47 47 LEU C C 47 175.800 177.412 -1.612 1
1 566 . 18 1 1 A 47 47 LEU H H 47 8.945 8.576 0.369 1
1 567 . 18 1 1 A 47 47 LEU HA H 47 4.185 4.681 -0.496 1
1 577 . 18 1 1 A 48 48 PRO CA C 48 62.992 64.833 -1.841 1
1 578 . 18 1 1 A 48 48 PRO CB C 48 24.080 32.003 -7.923 1
1 581 . 18 1 1 A 48 48 PRO C C 48 176.188 177.619 -1.431 1
1 582 . 18 1 1 A 48 48 PRO HA H 48 4.474 4.272 0.202 1
1 588 . 18 1 1 A 49 49 ASP N N 49 113.800 116.308 -2.508 1
1 589 . 18 1 1 A 49 49 ASP CA C 49 55.199 56.756 -1.557 1
1 590 . 18 1 1 A 49 49 ASP CB C 49 40.158 41.369 -1.211 1
1 591 . 18 1 1 A 49 49 ASP C C 49 175.304 175.931 -0.627 1
1 592 . 18 1 1 A 49 49 ASP H H 49 8.467 8.986 -0.519 1
1 593 . 18 1 1 A 49 49 ASP HA H 49 4.576 4.362 0.214 1
1 596 . 18 1 1 A 50 50 LYS N N 50 120.081 118.646 1.435 1
1 597 . 18 1 1 A 50 50 LYS CA C 50 56.803 56.912 -0.109 1
1 598 . 18 1 1 A 50 50 LYS CB C 50 32.059 30.293 1.766 1
1 602 . 18 1 1 A 50 50 LYS H H 50 8.329 7.881 0.448 1
1 603 . 18 1 1 A 50 50 LYS HA H 50 3.949 3.633 0.316 1
1 604 . 18 1 1 A 50 50 LYS C C 50 175.754 175.798 -0.044 1
1 613 . 18 1 1 A 51 51 LYS N N 51 117.896 118.327 -0.431 1
1 614 . 18 1 1 A 51 51 LYS CA C 51 57.360 55.297 2.063 1
1 615 . 18 1 1 A 51 51 LYS CB C 51 32.230 30.665 1.565 1
1 619 . 18 1 1 A 51 51 LYS H H 51 8.099 8.523 -0.424 1
1 620 . 18 1 1 A 51 51 LYS HA H 51 3.950 4.337 -0.387 1
1 621 . 18 1 1 A 51 51 LYS C C 51 176.619 175.078 1.541 1
1 630 . 18 1 1 A 52 52 LYS N N 52 120.200 120.045 0.155 1
1 631 . 18 1 1 A 52 52 LYS CA C 52 54.688 54.719 -0.031 1
1 632 . 18 1 1 A 52 52 LYS CB C 52 31.829 33.243 -1.414 1
1 636 . 18 1 1 A 52 52 LYS H H 52 7.447 7.444 0.003 1
1 637 . 18 1 1 A 52 52 LYS HA H 52 4.259 4.654 -0.395 1
1 638 . 18 1 1 A 52 52 LYS C C 52 173.420 175.092 -1.672 1
1 647 . 18 1 1 A 53 53 LYS N N 53 123.119 126.969 -3.850 1
1 648 . 18 1 1 A 53 53 LYS CA C 53 53.698 56.705 -3.007 1
1 649 . 18 1 1 A 53 53 LYS CB C 53 41.592 33.079 8.513 1
1 653 . 18 1 1 A 53 53 LYS H H 53 7.810 8.542 -0.732 1
1 654 . 18 1 1 A 53 53 LYS HA H 53 5.004 4.475 0.529 1
1 655 . 18 1 1 A 53 53 LYS C C 53 174.468 175.924 -1.456 1
1 664 . 18 1 1 A 54 54 PHE N N 54 120.200 121.640 -1.440 1
1 665 . 18 1 1 A 54 54 PHE CA C 54 56.583 55.220 1.363 1
1 666 . 18 1 1 A 54 54 PHE CB C 54 42.110 41.218 0.892 1
1 667 . 18 1 1 A 54 54 PHE C C 54 173.801 173.829 -0.028 1
1 668 . 18 1 1 A 54 54 PHE H H 54 8.490 8.272 0.218 1
1 669 . 18 1 1 A 54 54 PHE HA H 54 4.680 5.183 -0.503 1
1 672 . 18 1 1 A 55 55 GLU N N 55 117.600 119.447 -1.847 1
1 673 . 18 1 1 A 55 55 GLU CA C 55 53.537 54.686 -1.149 1
1 674 . 18 1 1 A 55 55 GLU CB C 55 33.241 33.796 -0.555 1
1 676 . 18 1 1 A 55 55 GLU C C 55 176.694 175.379 1.315 1
1 677 . 18 1 1 A 55 55 GLU H H 55 8.309 9.136 -0.827 1
1 678 . 18 1 1 A 55 55 GLU HA H 55 5.690 4.853 0.837 1
1 683 . 18 1 1 A 56 56 THR N N 56 111.700 115.939 -4.239 1
1 684 . 18 1 1 A 56 56 THR CA C 56 60.989 62.440 -1.451 1
1 685 . 18 1 1 A 56 56 THR CB C 56 71.860 69.952 1.908 1
1 687 . 18 1 1 A 56 56 THR C C 56 174.385 174.300 0.085 1
1 688 . 18 1 1 A 56 56 THR H H 56 8.775 8.824 -0.049 1
1 689 . 18 1 1 A 56 56 THR HA H 56 4.838 4.156 0.682 1
1 692 . 18 1 1 A 57 57 LYS N N 57 119.500 122.796 -3.296 1
1 693 . 18 1 1 A 57 57 LYS CA C 57 56.775 56.801 -0.026 1
1 694 . 18 1 1 A 57 57 LYS CB C 57 32.743 32.715 0.028 1
1 698 . 18 1 1 A 57 57 LYS H H 57 9.787 8.175 1.612 1
1 699 . 18 1 1 A 57 57 LYS HA H 57 4.151 4.030 0.121 1
1 700 . 18 1 1 A 57 57 LYS C C 57 177.417 176.599 0.818 1
1 709 . 18 1 1 A 58 58 VAL N N 58 123.100 119.973 3.127 1
1 710 . 18 1 1 A 58 58 VAL CA C 58 61.870 61.759 0.111 1
1 711 . 18 1 1 A 58 58 VAL CB C 58 32.081 32.342 -0.261 1
1 714 . 18 1 1 A 58 58 VAL C C 58 176.850 175.355 1.495 1
1 715 . 18 1 1 A 58 58 VAL H H 58 8.120 8.231 -0.111 1
1 716 . 18 1 1 A 58 58 VAL HA H 58 4.284 4.209 0.075 1
1 724 . 18 1 1 A 59 59 HIS N N 59 128.800 124.941 3.859 1
1 725 . 18 1 1 A 59 59 HIS CA C 59 54.311 54.872 -0.561 1
1 726 . 18 1 1 A 59 59 HIS CB C 59 30.426 29.169 1.257 1
1 727 . 18 1 1 A 59 59 HIS C C 59 172.101 174.624 -2.523 1
1 728 . 18 1 1 A 59 59 HIS H H 59 8.550 8.643 -0.093 1
1 729 . 18 1 1 A 59 59 HIS HA H 59 4.457 4.987 -0.530 1
1 732 . 18 1 1 A 60 60 ARG N N 60 118.700 123.574 -4.874 1
1 733 . 18 1 1 A 60 60 ARG CA C 60 55.702 56.596 -0.894 1
1 734 . 18 1 1 A 60 60 ARG CB C 60 30.713 30.352 0.361 1
1 737 . 18 1 1 A 60 60 ARG C C 60 176.252 176.631 -0.379 1
1 738 . 18 1 1 A 60 60 ARG H H 60 8.211 8.628 -0.417 1
1 739 . 18 1 1 A 60 60 ARG HA H 60 4.389 4.115 0.274 1
1 746 . 18 1 1 A 61 61 LYS N N 61 122.500 120.899 1.601 1
1 747 . 18 1 1 A 61 61 LYS CA C 61 55.977 57.104 -1.127 1
1 748 . 18 1 1 A 61 61 LYS CB C 61 29.711 29.888 -0.177 1
1 752 . 18 1 1 A 61 61 LYS H H 61 9.608 9.193 0.415 1
1 753 . 18 1 1 A 61 61 LYS HA H 61 3.946 4.094 -0.148 1
1 754 . 18 1 1 A 61 61 LYS C C 61 175.083 175.231 -0.148 1
1 763 . 18 1 1 A 62 62 THR N N 62 113.400 113.088 0.312 1
1 764 . 18 1 1 A 62 62 THR CA C 62 59.755 61.080 -1.325 1
1 765 . 18 1 1 A 62 62 THR CB C 62 63.417 71.233 -7.816 1
1 767 . 18 1 1 A 62 62 THR C C 62 170.120 173.211 -3.091 1
1 768 . 18 1 1 A 62 62 THR H H 62 8.470 8.170 0.300 1
1 769 . 18 1 1 A 62 62 THR HA H 62 4.703 4.740 -0.037 1
1 772 . 18 1 1 A 63 63 LEU N N 63 123.100 129.188 -6.088 1
1 773 . 18 1 1 A 63 63 LEU CA C 63 52.833 55.598 -2.765 1
1 774 . 18 1 1 A 63 63 LEU CB C 63 40.311 42.326 -2.015 1
1 778 . 18 1 1 A 63 63 LEU C C 63 175.135 176.843 -1.708 1
1 779 . 18 1 1 A 63 63 LEU H H 63 8.257 8.721 -0.464 1
1 780 . 18 1 1 A 63 63 LEU HA H 63 4.483 4.307 0.176 1
1 790 . 18 1 1 A 64 64 ASN N N 64 114.829 118.252 -3.423 1
1 792 . 18 1 1 A 64 64 ASN CA C 64 50.610 50.305 0.305 1
1 793 . 18 1 1 A 64 64 ASN CB C 64 40.550 38.938 1.612 1
1 794 . 18 1 1 A 64 64 ASN C C 64 171.500 173.072 -1.572 1
1 795 . 18 1 1 A 64 64 ASN H H 64 8.306 7.973 0.333 1
1 796 . 18 1 1 A 64 64 ASN HA H 64 5.450 5.167 0.283 1
1 801 . 18 1 1 A 65 65 PRO CA C 65 61.914 62.046 -0.132 1
1 802 . 18 1 1 A 65 65 PRO CB C 65 30.780 32.261 -1.481 1
1 805 . 18 1 1 A 65 65 PRO C C 65 173.852 176.129 -2.277 1
1 806 . 18 1 1 A 65 65 PRO HA H 65 3.970 4.766 -0.796 1
1 813 . 18 1 1 A 66 66 VAL N N 66 121.000 118.838 2.162 1
1 814 . 18 1 1 A 66 66 VAL CA C 66 61.782 60.611 1.171 1
1 815 . 18 1 1 A 66 66 VAL CB C 66 32.721 33.489 -0.768 1
1 818 . 18 1 1 A 66 66 VAL C C 66 175.152 176.006 -0.854 1
1 819 . 18 1 1 A 66 66 VAL H H 66 7.926 8.155 -0.229 1
1 820 . 18 1 1 A 66 66 VAL HA H 66 3.807 4.549 -0.742 1
1 828 . 18 1 1 A 67 67 PHE N N 67 123.400 129.179 -5.779 1
1 829 . 18 1 1 A 67 67 PHE CA C 67 59.262 60.371 -1.109 1
1 830 . 18 1 1 A 67 67 PHE CB C 67 39.849 40.237 -0.388 1
1 831 . 18 1 1 A 67 67 PHE C C 67 175.748 175.640 0.108 1
1 832 . 18 1 1 A 67 67 PHE H H 67 8.150 8.841 -0.691 1
1 833 . 18 1 1 A 67 67 PHE HA H 67 4.378 4.476 -0.098 1
1 836 . 18 1 1 A 68 68 ASN N N 68 117.500 117.210 0.290 1
1 837 . 18 1 1 A 68 68 ASN CA C 68 53.983 53.986 -0.003 1
1 838 . 18 1 1 A 68 68 ASN CB C 68 37.351 36.048 1.303 1
1 839 . 18 1 1 A 68 68 ASN C C 68 173.314 175.023 -1.709 1
1 840 . 18 1 1 A 68 68 ASN H H 68 8.920 9.067 -0.147 1
1 841 . 18 1 1 A 68 68 ASN HA H 68 4.350 5.279 -0.929 1
1 847 . 18 1 1 A 69 69 GLU N N 69 116.000 118.058 -2.058 1
1 848 . 18 1 1 A 69 69 GLU CA C 69 55.742 55.795 -0.053 1
1 849 . 18 1 1 A 69 69 GLU CB C 69 34.663 31.412 3.251 1
1 851 . 18 1 1 A 69 69 GLU C C 69 174.165 174.069 0.096 1
1 852 . 18 1 1 A 69 69 GLU H H 69 7.931 7.922 0.009 1
1 853 . 18 1 1 A 69 69 GLU HA H 69 4.638 5.276 -0.638 1
1 858 . 18 1 1 A 70 70 GLN N N 70 121.500 126.741 -5.241 1
1 860 . 18 1 1 A 70 70 GLN CA C 70 53.807 54.778 -0.971 1
1 861 . 18 1 1 A 70 70 GLN CB C 70 31.750 30.933 0.817 1
1 863 . 18 1 1 A 70 70 GLN C C 70 173.068 174.230 -1.162 1
1 864 . 18 1 1 A 70 70 GLN H H 70 8.174 9.256 -1.082 1
1 865 . 18 1 1 A 70 70 GLN HA H 70 4.985 4.916 0.069 1
1 872 . 18 1 1 A 71 71 PHE N N 71 124.300 123.989 0.311 1
1 873 . 18 1 1 A 71 71 PHE CA C 71 55.249 55.659 -0.410 1
1 874 . 18 1 1 A 71 71 PHE CB C 71 42.133 40.388 1.745 1
1 875 . 18 1 1 A 71 71 PHE C C 71 173.570 174.107 -0.537 1
1 876 . 18 1 1 A 71 71 PHE H H 71 9.040 8.062 0.978 1
1 877 . 18 1 1 A 71 71 PHE HA H 71 4.528 5.535 -1.007 1
1 880 . 18 1 1 A 72 72 THR N N 72 114.000 115.461 -1.461 1
1 881 . 18 1 1 A 72 72 THR CA C 72 59.491 61.246 -1.755 1
1 882 . 18 1 1 A 72 72 THR CB C 72 70.623 71.451 -0.828 1
1 884 . 18 1 1 A 72 72 THR C C 72 172.834 171.772 1.062 1
1 885 . 18 1 1 A 72 72 THR H H 72 7.763 8.636 -0.873 1
1 886 . 18 1 1 A 72 72 THR HA H 72 5.212 4.961 0.251 1
1 889 . 18 1 1 A 73 73 PHE N N 73 120.900 127.451 -6.551 1
1 890 . 18 1 1 A 73 73 PHE CA C 73 56.071 56.220 -0.149 1
1 891 . 18 1 1 A 73 73 PHE CB C 73 41.570 40.242 1.328 1
1 892 . 18 1 1 A 73 73 PHE C C 73 174.890 173.975 0.915 1
1 893 . 18 1 1 A 73 73 PHE H H 73 8.983 9.521 -0.538 1
1 894 . 18 1 1 A 73 73 PHE HA H 73 4.750 5.085 -0.335 1
1 897 . 18 1 1 A 74 74 LYS N N 74 127.500 127.834 -0.334 1
1 898 . 18 1 1 A 74 74 LYS CA C 74 56.186 55.910 0.276 1
1 899 . 18 1 1 A 74 74 LYS CB C 74 30.577 30.559 0.018 1
1 903 . 18 1 1 A 74 74 LYS C C 74 174.575 174.329 0.246 1
1 904 . 18 1 1 A 74 74 LYS H H 74 9.063 8.156 0.907 1
1 905 . 18 1 1 A 74 74 LYS HA H 74 4.690 4.485 0.205 1
1 914 . 18 1 1 A 75 75 VAL N N 75 126.600 124.066 2.534 1
1 915 . 18 1 1 A 75 75 VAL CA C 75 57.737 59.088 -1.351 1
1 916 . 18 1 1 A 75 75 VAL CB C 75 35.160 35.357 -0.197 1
1 919 . 18 1 1 A 75 75 VAL C C 75 171.500 173.770 -2.270 1
1 920 . 18 1 1 A 75 75 VAL H H 75 7.546 8.213 -0.667 1
1 921 . 18 1 1 A 75 75 VAL HA H 75 4.650 4.539 0.111 1
1 929 . 18 1 1 A 76 76 PRO CA C 76 62.476 62.836 -0.360 1
1 930 . 18 1 1 A 76 76 PRO CB C 76 32.143 32.704 -0.561 1
1 933 . 18 1 1 A 76 76 PRO C C 76 176.991 177.258 -0.267 1
1 934 . 18 1 1 A 76 76 PRO HA H 76 4.329 4.942 -0.613 1
1 941 . 18 1 1 A 77 77 TYR N N 77 128.500 125.328 3.172 1
1 942 . 18 1 1 A 77 77 TYR CA C 77 61.772 60.588 1.184 1
1 943 . 18 1 1 A 77 77 TYR CB C 77 37.898 37.291 0.607 1
1 944 . 18 1 1 A 77 77 TYR C C 77 177.516 177.676 -0.160 1
1 945 . 18 1 1 A 77 77 TYR H H 77 8.626 9.043 -0.417 1
1 946 . 18 1 1 A 77 77 TYR HA H 77 3.403 4.126 -0.723 1
1 950 . 18 1 1 A 78 78 SER N N 78 110.600 115.970 -5.370 1
1 951 . 18 1 1 A 78 78 SER H H 78 8.509 7.945 0.564 1
1 952 . 18 1 1 A 78 78 SER CA C 78 60.064 60.840 -0.776 1
1 953 . 18 1 1 A 78 78 SER CB C 78 62.022 62.871 -0.849 1
1 954 . 18 1 1 A 78 78 SER C C 78 175.292 176.811 -1.519 1
1 955 . 18 1 1 A 78 78 SER HA H 78 3.940 3.615 0.325 1
1 958 . 18 1 1 A 79 79 GLU N N 79 119.000 120.830 -1.830 1
1 959 . 18 1 1 A 79 79 GLU CA C 79 55.273 58.682 -3.409 1
1 960 . 18 1 1 A 79 79 GLU CB C 79 30.302 29.450 0.852 1
1 962 . 18 1 1 A 79 79 GLU C C 79 177.218 178.676 -1.458 1
1 963 . 18 1 1 A 79 79 GLU H H 79 7.411 7.543 -0.132 1
1 964 . 18 1 1 A 79 79 GLU HA H 79 4.280 4.086 0.194 1
1 969 . 18 1 1 A 80 80 LEU N N 80 121.600 121.205 0.395 1
1 970 . 18 1 1 A 80 80 LEU CA C 80 57.376 57.876 -0.500 1
1 971 . 18 1 1 A 80 80 LEU CB C 80 41.916 41.672 0.244 1
1 975 . 18 1 1 A 80 80 LEU C C 80 177.098 178.558 -1.460 1
1 976 . 18 1 1 A 80 80 LEU H H 80 7.311 8.039 -0.728 1
1 977 . 18 1 1 A 80 80 LEU HA H 80 3.643 4.193 -0.550 1
1 987 . 18 1 1 A 81 81 GLY N N 81 102.900 106.645 -3.745 1
1 988 . 18 1 1 A 81 81 GLY CA C 81 46.638 47.271 -0.633 1
1 989 . 18 1 1 A 81 81 GLY C C 81 174.240 176.506 -2.266 1
1 990 . 18 1 1 A 81 81 GLY H H 81 7.860 8.278 -0.418 1
1 991 . 18 1 1 A 81 81 GLY HA3 H 81 3.744 3.729 0.015 1
1 992 . 18 1 1 A 81 81 GLY HA2 H 81 3.434 3.712 -0.278 1
1 993 . 18 1 1 A 82 82 GLY N N 82 105.900 108.761 -2.861 1
1 994 . 18 1 1 A 82 82 GLY CA C 82 44.289 47.005 -2.716 1
1 995 . 18 1 1 A 82 82 GLY C C 82 174.591 174.654 -0.063 1
1 996 . 18 1 1 A 82 82 GLY H H 82 7.396 7.767 -0.371 1
1 997 . 18 1 1 A 82 82 GLY HA3 H 82 4.267 3.855 0.412 1
1 998 . 18 1 1 A 82 82 GLY HA2 H 82 3.760 3.853 -0.093 1
1 999 . 18 1 1 A 83 83 LYS N N 83 119.000 118.879 0.121 1
1 1000 . 18 1 1 A 83 83 LYS CA C 83 53.818 55.132 -1.314 1
1 1001 . 18 1 1 A 83 83 LYS CB C 83 33.814 33.588 0.226 1
1 1005 . 18 1 1 A 83 83 LYS H H 83 7.888 7.395 0.493 1
1 1006 . 18 1 1 A 83 83 LYS HA H 83 4.366 4.665 -0.299 1
1 1007 . 18 1 1 A 83 83 LYS C C 83 176.518 175.841 0.677 1
1 1015 . 18 1 1 A 84 84 THR N N 84 118.500 113.294 5.206 1
1 1016 . 18 1 1 A 84 84 THR CA C 84 61.914 60.568 1.346 1
1 1017 . 18 1 1 A 84 84 THR CB C 84 71.340 71.179 0.161 1
1 1019 . 18 1 1 A 84 84 THR C C 84 171.750 173.688 -1.938 1
1 1020 . 18 1 1 A 84 84 THR H H 84 8.248 8.868 -0.620 1
1 1021 . 18 1 1 A 84 84 THR HA H 84 4.638 5.400 -0.762 1
1 1024 . 18 1 1 A 85 85 LEU N N 85 130.500 123.797 6.703 1
1 1025 . 18 1 1 A 85 85 LEU CA C 85 53.982 53.914 0.068 1
1 1026 . 18 1 1 A 85 85 LEU CB C 85 43.826 43.233 0.593 1
1 1030 . 18 1 1 A 85 85 LEU C C 85 173.417 176.167 -2.750 1
1 1031 . 18 1 1 A 85 85 LEU H H 85 8.430 8.774 -0.344 1
1 1032 . 18 1 1 A 85 85 LEU HA H 85 4.417 5.090 -0.673 1
1 1042 . 18 1 1 A 86 86 VAL N N 86 127.723 120.161 7.562 1
1 1043 . 18 1 1 A 86 86 VAL CA C 86 61.206 59.869 1.337 1
1 1044 . 18 1 1 A 86 86 VAL CB C 86 31.856 34.657 -2.801 1
1 1047 . 18 1 1 A 86 86 VAL C C 86 173.599 174.562 -0.963 1
1 1048 . 18 1 1 A 86 86 VAL H H 86 8.771 8.988 -0.217 1
1 1049 . 18 1 1 A 86 86 VAL HA H 86 4.151 5.883 -1.732 1
1 1057 . 18 1 1 A 87 87 MET N N 87 122.600 123.502 -0.902 1
1 1058 . 18 1 1 A 87 87 MET CA C 87 53.654 53.852 -0.198 1
1 1059 . 18 1 1 A 87 87 MET CB C 87 31.288 36.847 -5.559 1
1 1061 . 18 1 1 A 87 87 MET C C 87 172.749 175.122 -2.373 1
1 1062 . 18 1 1 A 87 87 MET H H 87 7.503 8.943 -1.440 1
1 1063 . 18 1 1 A 87 87 MET HA H 87 4.706 5.606 -0.900 1
1 1068 . 18 1 1 A 88 88 ALA N N 88 124.200 123.822 0.378 1
1 1069 . 18 1 1 A 88 88 ALA CA C 88 50.017 50.931 -0.914 1
1 1070 . 18 1 1 A 88 88 ALA CB C 88 23.107 21.789 1.318 1
1 1071 . 18 1 1 A 88 88 ALA C C 88 174.558 175.692 -1.134 1
1 1072 . 18 1 1 A 88 88 ALA H H 88 8.755 8.975 -0.220 1
1 1073 . 18 1 1 A 88 88 ALA HA H 88 4.948 5.206 -0.258 1
1 1077 . 18 1 1 A 89 89 VAL N N 89 122.900 123.280 -0.380 1
1 1078 . 18 1 1 A 89 89 VAL CA C 89 60.881 63.072 -2.191 1
1 1079 . 18 1 1 A 89 89 VAL CB C 89 31.541 31.427 0.114 1
1 1082 . 18 1 1 A 89 89 VAL C C 89 173.707 174.618 -0.911 1
1 1083 . 18 1 1 A 89 89 VAL H H 89 8.813 8.913 -0.100 1
1 1084 . 18 1 1 A 89 89 VAL HA H 89 4.652 4.452 0.200 1
1 1092 . 18 1 1 A 90 90 TYR N N 90 128.400 128.620 -0.220 1
1 1093 . 18 1 1 A 90 90 TYR CA C 90 56.230 56.001 0.229 1
1 1094 . 18 1 1 A 90 90 TYR CB C 90 43.211 41.672 1.539 1
1 1095 . 18 1 1 A 90 90 TYR C C 90 173.024 173.485 -0.461 1
1 1096 . 18 1 1 A 90 90 TYR H H 90 9.067 9.482 -0.415 1
1 1097 . 18 1 1 A 90 90 TYR HA H 90 4.766 5.220 -0.454 1
1 1101 . 18 1 1 A 91 91 ASP N N 91 116.300 129.320 -13.020 1
1 1102 . 18 1 1 A 91 91 ASP CA C 91 51.800 52.552 -0.752 1
1 1103 . 18 1 1 A 91 91 ASP CB C 91 42.265 42.503 -0.238 1
1 1104 . 18 1 1 A 91 91 ASP C C 91 175.823 175.440 0.383 1
1 1105 . 18 1 1 A 91 91 ASP H H 91 8.700 8.554 0.146 1
1 1106 . 18 1 1 A 91 91 ASP HA H 91 5.098 5.143 -0.045 1
1 1109 . 18 1 1 A 92 92 PHE N N 92 128.100 126.869 1.231 1
1 1110 . 18 1 1 A 92 92 PHE CA C 92 58.830 57.010 1.820 1
1 1111 . 18 1 1 A 92 92 PHE CB C 92 31.850 38.955 -7.105 1
1 1112 . 18 1 1 A 92 92 PHE C C 92 173.437 175.594 -2.157 1
1 1113 . 18 1 1 A 92 92 PHE H H 92 9.540 9.148 0.392 1
1 1114 . 18 1 1 A 92 92 PHE HA H 92 4.480 5.129 -0.649 1
1 1117 . 18 1 1 A 93 93 ASP N N 93 122.100 127.089 -4.989 1
1 1118 . 18 1 1 A 93 93 ASP CA C 93 53.701 53.577 0.124 1
1 1119 . 18 1 1 A 93 93 ASP CB C 93 41.736 40.647 1.089 1
1 1120 . 18 1 1 A 93 93 ASP C C 93 175.548 174.837 0.711 1
1 1121 . 18 1 1 A 93 93 ASP H H 93 7.812 7.856 -0.044 1
1 1122 . 18 1 1 A 93 93 ASP HA H 93 4.480 4.605 -0.125 1
1 1125 . 18 1 1 A 94 94 ARG N N 94 121.500 114.730 6.770 1
1 1126 . 18 1 1 A 94 94 ARG CA C 94 56.142 57.523 -1.381 1
1 1127 . 18 1 1 A 94 94 ARG CB C 94 30.173 27.583 2.590 1
1 1129 . 18 1 1 A 94 94 ARG C C 94 175.795 175.476 0.319 1
1 1130 . 18 1 1 A 94 94 ARG H H 94 8.264 7.735 0.529 1
1 1131 . 18 1 1 A 94 94 ARG HA H 94 4.000 3.719 0.281 1
1 1138 . 18 1 1 A 95 95 PHE N N 95 118.600 115.601 2.999 1
1 1139 . 18 1 1 A 95 95 PHE CA C 95 59.850 59.137 0.713 1
1 1140 . 18 1 1 A 95 95 PHE CB C 95 38.955 41.164 -2.209 1
1 1141 . 18 1 1 A 95 95 PHE C C 95 172.969 175.402 -2.433 1
1 1142 . 18 1 1 A 95 95 PHE H H 95 6.889 8.461 -1.572 1
1 1143 . 18 1 1 A 95 95 PHE HA H 95 4.373 4.642 -0.269 1
1 1146 . 18 1 1 A 96 96 SER N N 96 114.200 112.226 1.974 1
1 1147 . 18 1 1 A 96 96 SER H H 96 8.027 7.765 0.262 1
1 1148 . 18 1 1 A 96 96 SER CA C 96 57.596 57.942 -0.346 1
1 1149 . 18 1 1 A 96 96 SER CB C 96 63.494 65.087 -1.593 1
1 1150 . 18 1 1 A 96 96 SER C C 96 174.149 174.152 -0.003 1
1 1151 . 18 1 1 A 96 96 SER HA H 96 4.220 4.533 -0.313 1
1 1154 . 18 1 1 A 97 97 LYS N N 97 121.600 121.336 0.264 1
1 1155 . 18 1 1 A 97 97 LYS CA C 97 58.206 56.272 1.934 1
1 1156 . 18 1 1 A 97 97 LYS CB C 97 31.860 32.891 -1.031 1
1 1159 . 18 1 1 A 97 97 LYS H H 97 8.264 8.585 -0.321 1
1 1160 . 18 1 1 A 97 97 LYS HA H 97 4.202 4.414 -0.212 1
1 1161 . 18 1 1 A 97 97 LYS C C 97 175.599 176.699 -1.100 1
1 1170 . 18 1 1 A 98 98 HIS N N 98 119.000 122.649 -3.649 1
1 1171 . 18 1 1 A 98 98 HIS CA C 98 54.159 56.898 -2.739 1
1 1172 . 18 1 1 A 98 98 HIS CB C 98 30.040 29.611 0.429 1
1 1173 . 18 1 1 A 98 98 HIS C C 98 174.050 174.391 -0.341 1
1 1174 . 18 1 1 A 98 98 HIS H H 98 8.350 8.707 -0.357 1
1 1175 . 18 1 1 A 98 98 HIS HA H 98 4.784 4.386 0.398 1
1 1178 . 18 1 1 A 99 99 ASP N N 99 122.600 125.128 -2.528 1
1 1179 . 18 1 1 A 99 99 ASP CA C 99 53.806 53.279 0.527 1
1 1180 . 18 1 1 A 99 99 ASP CB C 99 41.074 42.482 -1.408 1
1 1181 . 18 1 1 A 99 99 ASP C C 99 174.346 175.818 -1.472 1
1 1182 . 18 1 1 A 99 99 ASP H H 99 8.812 8.747 0.065 1
1 1183 . 18 1 1 A 99 99 ASP HA H 99 4.781 4.796 -0.015 1
1 1186 . 18 1 1 A 100 100 ILE N N 100 122.400 126.460 -4.060 1
1 1187 . 18 1 1 A 100 100 ILE CA C 100 60.989 61.908 -0.919 1
1 1188 . 18 1 1 A 100 100 ILE CB C 100 38.823 37.473 1.350 1
1 1192 . 18 1 1 A 100 100 ILE C C 100 174.431 177.890 -3.459 1
1 1193 . 18 1 1 A 100 100 ILE H H 100 8.075 8.803 -0.728 1
1 1194 . 18 1 1 A 100 100 ILE HA H 100 3.405 4.040 -0.635 1
1 1204 . 18 1 1 A 101 101 ILE N N 101 127.400 124.139 3.261 1
1 1205 . 18 1 1 A 101 101 ILE CA C 101 63.380 63.573 -0.193 1
1 1206 . 18 1 1 A 101 101 ILE CB C 101 38.058 38.166 -0.108 1
1 1210 . 18 1 1 A 101 101 ILE C C 101 175.859 176.332 -0.473 1
1 1211 . 18 1 1 A 101 101 ILE H H 101 9.219 8.445 0.774 1
1 1212 . 18 1 1 A 101 101 ILE HA H 101 3.869 3.978 -0.109 1
1 1219 . 18 1 1 A 102 102 GLY N N 102 101.500 109.595 -8.095 1
1 1220 . 18 1 1 A 102 102 GLY CA C 102 45.259 46.008 -0.749 1
1 1221 . 18 1 1 A 102 102 GLY C C 102 169.614 171.533 -1.919 1
1 1222 . 18 1 1 A 102 102 GLY H H 102 7.241 7.241 0.000 1
1 1223 . 18 1 1 A 102 102 GLY HA3 H 102 4.024 4.044 -0.020 1
1 1224 . 18 1 1 A 102 102 GLY HA2 H 102 3.811 4.044 -0.233 1
1 1225 . 18 1 1 A 103 103 GLU N N 103 117.100 119.271 -2.171 1
1 1226 . 18 1 1 A 103 103 GLU CA C 103 54.229 55.156 -0.927 1
1 1227 . 18 1 1 A 103 103 GLU CB C 103 34.012 34.572 -0.560 1
1 1229 . 18 1 1 A 103 103 GLU C C 103 173.993 174.472 -0.479 1
1 1230 . 18 1 1 A 103 103 GLU H H 103 9.499 8.732 0.767 1
1 1231 . 18 1 1 A 103 103 GLU HA H 103 5.513 5.327 0.186 1
1 1236 . 18 1 1 A 104 104 PHE N N 104 115.900 123.402 -7.502 1
1 1237 . 18 1 1 A 104 104 PHE CA C 104 58.037 56.761 1.276 1
1 1238 . 18 1 1 A 104 104 PHE CB C 104 41.030 41.340 -0.310 1
1 1239 . 18 1 1 A 104 104 PHE C C 104 171.749 174.611 -2.862 1
1 1240 . 18 1 1 A 104 104 PHE H H 104 8.525 9.379 -0.854 1
1 1241 . 18 1 1 A 104 104 PHE HA H 104 4.731 4.988 -0.257 1
1 1244 . 18 1 1 A 105 105 LYS N N 105 118.900 117.647 1.253 1
1 1245 . 18 1 1 A 105 105 LYS CA C 105 53.771 54.249 -0.478 1
1 1246 . 18 1 1 A 105 105 LYS CB C 105 34.953 34.028 0.925 1
1 1250 . 18 1 1 A 105 105 LYS H H 105 7.805 8.002 -0.197 1
1 1251 . 18 1 1 A 105 105 LYS HA H 105 5.188 4.835 0.353 1
1 1252 . 18 1 1 A 105 105 LYS C C 105 175.389 175.187 0.202 1
1 1261 . 18 1 1 A 106 106 VAL N N 106 121.400 112.674 8.726 1
1 1262 . 18 1 1 A 106 106 VAL CA C 106 58.522 58.141 0.381 1
1 1263 . 18 1 1 A 106 106 VAL CB C 106 34.050 34.683 -0.633 1
1 1266 . 18 1 1 A 106 106 VAL C C 106 173.300 173.576 -0.276 1
1 1267 . 18 1 1 A 106 106 VAL H H 106 9.276 8.765 0.511 1
1 1268 . 18 1 1 A 106 106 VAL HA H 106 4.430 5.005 -0.575 1
1 1276 . 18 1 1 A 107 107 PRO CA C 107 62.265 63.178 -0.913 1
1 1277 . 18 1 1 A 107 107 PRO CB C 107 31.157 32.456 -1.299 1
1 1280 . 18 1 1 A 107 107 PRO C C 107 178.967 177.454 1.513 1
1 1281 . 18 1 1 A 107 107 PRO HA H 107 4.703 4.498 0.205 1
1 1288 . 18 1 1 A 108 108 MET N N 108 126.300 122.688 3.612 1
1 1289 . 18 1 1 A 108 108 MET CA C 108 56.728 57.813 -1.085 1
1 1290 . 18 1 1 A 108 108 MET CB C 108 32.909 31.864 1.045 1
1 1292 . 18 1 1 A 108 108 MET C C 108 176.858 178.359 -1.501 1
1 1293 . 18 1 1 A 108 108 MET H H 108 8.716 8.286 0.430 1
1 1294 . 18 1 1 A 108 108 MET HA H 108 4.483 4.195 0.288 1
1 1299 . 18 1 1 A 109 109 ASN N N 109 115.600 117.577 -1.977 1
1 1300 . 18 1 1 A 109 109 ASN CA C 109 53.983 56.320 -2.337 1
1 1301 . 18 1 1 A 109 109 ASN CB C 109 36.227 38.571 -2.344 1
1 1302 . 18 1 1 A 109 109 ASN C C 109 175.789 177.145 -1.356 1
1 1303 . 18 1 1 A 109 109 ASN H H 109 8.342 8.231 0.111 1
1 1304 . 18 1 1 A 109 109 ASN HA H 109 4.564 4.468 0.096 1
1 1310 . 18 1 1 A 110 110 THR N N 110 107.600 108.335 -0.735 1
1 1311 . 18 1 1 A 110 110 THR CA C 110 61.115 62.744 -1.629 1
1 1312 . 18 1 1 A 110 110 THR CB C 110 62.929 69.797 -6.868 1
1 1314 . 18 1 1 A 110 110 THR C C 110 173.508 174.717 -1.209 1
1 1315 . 18 1 1 A 110 110 THR H H 110 7.522 7.272 0.250 1
1 1316 . 18 1 1 A 110 110 THR HA H 110 4.461 4.351 0.110 1
1 1319 . 18 1 1 A 111 111 VAL N N 111 123.700 124.035 -0.335 1
1 1320 . 18 1 1 A 111 111 VAL CA C 111 61.782 61.914 -0.132 1
1 1321 . 18 1 1 A 111 111 VAL CB C 111 32.821 32.123 0.698 1
1 1324 . 18 1 1 A 111 111 VAL C C 111 173.903 174.919 -1.016 1
1 1325 . 18 1 1 A 111 111 VAL H H 111 6.960 7.156 -0.196 1
1 1326 . 18 1 1 A 111 111 VAL HA H 111 3.703 4.136 -0.433 1
1 1334 . 18 1 1 A 112 112 ASP N N 112 125.800 128.289 -2.489 1
1 1335 . 18 1 1 A 112 112 ASP CA C 112 51.777 54.609 -2.832 1
1 1336 . 18 1 1 A 112 112 ASP CB C 112 40.648 41.516 -0.868 1
1 1337 . 18 1 1 A 112 112 ASP C C 112 175.407 174.347 1.060 1
1 1338 . 18 1 1 A 112 112 ASP H H 112 8.341 8.857 -0.516 1
1 1339 . 18 1 1 A 112 112 ASP HA H 112 4.719 4.979 -0.260 1
1 1342 . 18 1 1 A 113 113 PHE N N 113 122.700 125.122 -2.422 1
1 1343 . 18 1 1 A 113 113 PHE CA C 113 59.887 56.250 3.637 1
1 1344 . 18 1 1 A 113 113 PHE CB C 113 37.999 37.942 0.057 1
1 1345 . 18 1 1 A 113 113 PHE C C 113 175.854 175.165 0.689 1
1 1346 . 18 1 1 A 113 113 PHE H H 113 8.391 8.975 -0.584 1
1 1347 . 18 1 1 A 113 113 PHE HA H 113 4.670 4.641 0.029 1
1 1350 . 18 1 1 A 114 114 GLY N N 114 108.608 112.025 -3.417 1
1 1351 . 18 1 1 A 114 114 GLY CA C 114 45.657 47.170 -1.513 1
1 1352 . 18 1 1 A 114 114 GLY C C 114 172.963 174.320 -1.357 1
1 1353 . 18 1 1 A 114 114 GLY H H 114 8.953 8.381 0.572 1
1 1354 . 18 1 1 A 114 114 GLY HA3 H 114 4.018 3.680 0.338 1
1 1355 . 18 1 1 A 114 114 GLY HA2 H 114 3.912 3.440 0.472 1
1 1356 . 18 1 1 A 115 115 HIS N N 115 114.926 115.504 -0.578 1
1 1357 . 18 1 1 A 115 115 HIS CA C 115 53.533 54.437 -0.904 1
1 1358 . 18 1 1 A 115 115 HIS CB C 115 30.349 30.588 -0.239 1
1 1359 . 18 1 1 A 115 115 HIS C C 115 172.453 173.183 -0.730 1
1 1360 . 18 1 1 A 115 115 HIS H H 115 7.510 7.300 0.210 1
1 1361 . 18 1 1 A 115 115 HIS HA H 115 4.868 5.001 -0.133 1
1 1364 . 18 1 1 A 116 116 VAL N N 116 122.100 119.394 2.706 1
1 1365 . 18 1 1 A 116 116 VAL CA C 116 62.992 59.486 3.506 1
1 1366 . 18 1 1 A 116 116 VAL CB C 116 31.850 34.271 -2.421 1
1 1369 . 18 1 1 A 116 116 VAL C C 116 176.352 173.511 2.841 1
1 1370 . 18 1 1 A 116 116 VAL H H 116 8.460 8.611 -0.151 1
1 1371 . 18 1 1 A 116 116 VAL HA H 116 4.268 4.992 -0.724 1
1 1379 . 18 1 1 A 117 117 THR N N 117 124.700 123.777 0.923 1
1 1380 . 18 1 1 A 117 117 THR CA C 117 61.694 61.930 -0.236 1
1 1381 . 18 1 1 A 117 117 THR CB C 117 70.001 69.511 0.490 1
1 1383 . 18 1 1 A 117 117 THR C C 117 172.762 173.725 -0.963 1
1 1384 . 18 1 1 A 117 117 THR H H 117 8.550 9.373 -0.823 1
1 1385 . 18 1 1 A 117 117 THR HA H 117 4.460 4.586 -0.126 1
1 1388 . 18 1 1 A 118 118 GLU N N 118 126.000 125.119 0.881 1
1 1389 . 18 1 1 A 118 118 GLU CA C 118 55.038 55.114 -0.076 1
1 1390 . 18 1 1 A 118 118 GLU CB C 118 30.835 31.515 -0.680 1
1 1392 . 18 1 1 A 118 118 GLU C C 118 174.419 174.836 -0.417 1
1 1393 . 18 1 1 A 118 118 GLU H H 118 8.382 8.853 -0.471 1
1 1394 . 18 1 1 A 118 118 GLU HA H 118 4.776 4.996 -0.220 1
1 1399 . 18 1 1 A 119 119 GLU N N 119 123.000 120.939 2.061 1
1 1400 . 18 1 1 A 119 119 GLU CA C 119 54.292 54.668 -0.376 1
1 1401 . 18 1 1 A 119 119 GLU CB C 119 32.909 33.559 -0.650 1
1 1403 . 18 1 1 A 119 119 GLU C C 119 173.072 174.079 -1.007 1
1 1404 . 18 1 1 A 119 119 GLU H H 119 8.057 8.847 -0.790 1
1 1405 . 18 1 1 A 119 119 GLU HA H 119 4.631 4.431 0.200 1
1 1410 . 18 1 1 A 120 120 TRP N N 120 118.300 122.497 -4.197 1
1 1411 . 18 1 1 A 120 120 TRP C C 120 177.336 175.162 2.174 1
1 1412 . 18 1 1 A 120 120 TRP CA C 120 55.672 56.467 -0.795 1
1 1413 . 18 1 1 A 120 120 TRP CB C 120 31.259 29.373 1.886 1
1 1414 . 18 1 1 A 120 120 TRP H H 120 8.212 8.250 -0.038 1
1 1415 . 18 1 1 A 120 120 TRP HA H 120 5.322 5.127 0.195 1
1 1424 . 18 1 1 A 121 121 ARG N N 121 120.900 126.525 -5.625 1
1 1425 . 18 1 1 A 121 121 ARG CA C 121 53.631 54.085 -0.454 1
1 1426 . 18 1 1 A 121 121 ARG CB C 121 32.865 33.649 -0.784 1
1 1429 . 18 1 1 A 121 121 ARG C C 121 174.321 175.439 -1.118 1
1 1430 . 18 1 1 A 121 121 ARG H H 121 9.012 8.863 0.149 1
1 1431 . 18 1 1 A 121 121 ARG HA H 121 4.488 5.023 -0.535 1
1 1438 . 18 1 1 A 122 122 ASP N N 122 121.600 124.219 -2.619 1
1 1439 . 18 1 1 A 122 122 ASP CA C 122 53.795 53.451 0.344 1
1 1440 . 18 1 1 A 122 122 ASP CB C 122 40.544 42.173 -1.629 1
1 1441 . 18 1 1 A 122 122 ASP C C 122 176.041 176.147 -0.106 1
1 1442 . 18 1 1 A 122 122 ASP H H 122 8.226 8.886 -0.660 1
1 1443 . 18 1 1 A 122 122 ASP HA H 122 4.791 5.231 -0.440 1
1 1446 . 18 1 1 A 123 123 LEU N N 123 120.700 125.019 -4.319 1
1 1447 . 18 1 1 A 123 123 LEU CA C 123 54.997 54.460 0.537 1
1 1448 . 18 1 1 A 123 123 LEU CB C 123 41.765 41.880 -0.115 1
1 1452 . 18 1 1 A 123 123 LEU C C 123 175.964 176.788 -0.824 1
1 1453 . 18 1 1 A 123 123 LEU H H 123 8.436 8.492 -0.056 1
1 1454 . 18 1 1 A 123 123 LEU HA H 123 4.125 5.427 -1.302 1
1 1464 . 18 1 1 A 124 124 GLN N N 124 119.200 124.658 -5.458 1
1 1466 . 18 1 1 A 124 124 GLN CA C 124 53.278 55.052 -1.774 1
1 1467 . 18 1 1 A 124 124 GLN CB C 124 31.232 30.068 1.164 1
1 1469 . 18 1 1 A 124 124 GLN C C 124 175.183 174.893 0.290 1
1 1470 . 18 1 1 A 124 124 GLN H H 124 9.020 8.775 0.245 1
1 1471 . 18 1 1 A 124 124 GLN HA H 124 4.738 4.894 -0.156 1
1 1478 . 18 1 1 A 125 125 SER N N 125 115.300 118.776 -3.476 1
1 1479 . 18 1 1 A 125 125 SER H H 125 8.543 8.851 -0.308 1
1 1480 . 18 1 1 A 125 125 SER CA C 125 58.477 57.826 0.651 1
1 1481 . 18 1 1 A 125 125 SER CB C 125 63.274 63.171 0.103 1
1 1482 . 18 1 1 A 125 125 SER C C 125 174.609 173.870 0.739 1
1 1483 . 18 1 1 A 125 125 SER HA H 125 4.235 4.717 -0.482 1
1 1486 . 18 1 1 A 126 126 ALA N N 126 126.900 130.537 -3.637 1
1 1487 . 18 1 1 A 126 126 ALA CA C 126 51.636 50.303 1.333 1
1 1488 . 18 1 1 A 126 126 ALA CB C 126 19.845 21.367 -1.522 1
1 1489 . 18 1 1 A 126 126 ALA C C 126 176.876 176.446 0.430 1
1 1490 . 18 1 1 A 126 126 ALA H H 126 8.640 9.002 -0.362 1
1 1491 . 18 1 1 A 126 126 ALA HA H 126 4.216 5.187 -0.971 1
1 1495 . 18 1 1 A 127 127 GLU N N 127 120.600 122.479 -1.879 1
1 1496 . 18 1 1 A 127 127 GLU CA C 127 56.142 54.870 1.272 1
1 1497 . 18 1 1 A 127 127 GLU CB C 127 29.996 30.351 -0.355 1
1 1499 . 18 1 1 A 127 127 GLU C C 127 175.129 175.023 0.106 1
1 1500 . 18 1 1 A 127 127 GLU H H 127 8.204 8.841 -0.637 1
1 1501 . 18 1 1 A 127 127 GLU HA H 127 4.176 4.719 -0.543 1
1 12 . 19 1 1 A 2 2 LYS N N 2 123.200 118.442 4.758 1
1 13 . 19 1 1 A 2 2 LYS CA C 2 55.550 55.124 0.426 1
1 14 . 19 1 1 A 2 2 LYS CB C 2 31.730 32.753 -1.023 1
1 18 . 19 1 1 A 2 2 LYS H H 2 8.320 9.119 -0.799 1
1 19 . 19 1 1 A 2 2 LYS C C 2 176.041 176.234 -0.193 1
1 20 . 19 1 1 A 2 2 LYS HA H 2 4.413 4.947 -0.534 1
1 29 . 19 1 1 A 3 3 LEU N N 3 124.700 124.101 0.599 1
1 30 . 19 1 1 A 3 3 LEU CA C 3 53.800 55.623 -1.823 1
1 31 . 19 1 1 A 3 3 LEU CB C 3 43.351 43.506 -0.155 1
1 35 . 19 1 1 A 3 3 LEU C C 3 173.289 176.616 -3.327 1
1 36 . 19 1 1 A 3 3 LEU H H 3 8.319 8.522 -0.203 1
1 37 . 19 1 1 A 3 3 LEU HA H 3 4.363 4.268 0.095 1
1 47 . 19 1 1 A 4 4 GLY N N 4 102.100 107.574 -5.474 1
1 48 . 19 1 1 A 4 4 GLY CA C 4 44.232 44.339 -0.107 1
1 49 . 19 1 1 A 4 4 GLY C C 4 174.476 173.060 1.416 1
1 50 . 19 1 1 A 4 4 GLY H H 4 7.412 7.765 -0.353 1
1 51 . 19 1 1 A 4 4 GLY HA3 H 4 4.367 4.098 0.269 1
1 52 . 19 1 1 A 4 4 GLY HA2 H 4 3.662 4.081 -0.419 1
1 53 . 19 1 1 A 5 5 LYS N N 5 114.993 120.862 -5.869 1
1 54 . 19 1 1 A 5 5 LYS CA C 5 54.807 54.453 0.354 1
1 55 . 19 1 1 A 5 5 LYS CB C 5 36.664 36.627 0.037 1
1 59 . 19 1 1 A 5 5 LYS C C 5 173.762 174.954 -1.192 1
1 60 . 19 1 1 A 5 5 LYS H H 5 8.748 8.345 0.403 1
1 61 . 19 1 1 A 5 5 LYS HA H 5 5.333 5.239 0.094 1
1 70 . 19 1 1 A 6 6 LEU N N 6 122.195 118.530 3.665 1
1 71 . 19 1 1 A 6 6 LEU CA C 6 53.760 53.153 0.607 1
1 72 . 19 1 1 A 6 6 LEU CB C 6 47.948 44.647 3.301 1
1 76 . 19 1 1 A 6 6 LEU C C 6 172.524 174.895 -2.371 1
1 77 . 19 1 1 A 6 6 LEU H H 6 9.058 9.317 -0.259 1
1 78 . 19 1 1 A 6 6 LEU HA H 6 5.312 5.028 0.284 1
1 88 . 19 1 1 A 7 7 GLN N N 7 127.800 125.505 2.295 1
1 90 . 19 1 1 A 7 7 GLN CA C 7 52.595 55.688 -3.093 1
1 91 . 19 1 1 A 7 7 GLN CB C 7 28.032 29.377 -1.345 1
1 93 . 19 1 1 A 7 7 GLN C C 7 173.707 175.566 -1.859 1
1 94 . 19 1 1 A 7 7 GLN H H 7 8.945 9.095 -0.150 1
1 95 . 19 1 1 A 7 7 GLN HA H 7 5.170 4.861 0.309 1
1 102 . 19 1 1 A 8 8 TYR N N 8 125.700 121.295 4.405 1
1 103 . 19 1 1 A 8 8 TYR CA C 8 54.578 55.663 -1.085 1
1 104 . 19 1 1 A 8 8 TYR CB C 8 42.236 41.558 0.678 1
1 105 . 19 1 1 A 8 8 TYR C C 8 171.582 173.318 -1.736 1
1 106 . 19 1 1 A 8 8 TYR H H 8 8.445 8.665 -0.220 1
1 107 . 19 1 1 A 8 8 TYR HA H 8 5.401 5.560 -0.159 1
1 110 . 19 1 1 A 9 9 SER N N 9 113.300 114.178 -0.878 1
1 111 . 19 1 1 A 9 9 SER H H 9 9.486 9.116 0.370 1
1 112 . 19 1 1 A 9 9 SER CA C 9 55.195 57.438 -2.243 1
1 113 . 19 1 1 A 9 9 SER CB C 9 67.116 65.273 1.843 1
1 114 . 19 1 1 A 9 9 SER C C 9 173.486 172.896 0.590 1
1 115 . 19 1 1 A 9 9 SER HA H 9 5.400 5.479 -0.079 1
1 118 . 19 1 1 A 10 10 LEU N N 10 120.700 127.141 -6.441 1
1 119 . 19 1 1 A 10 10 LEU CA C 10 53.388 53.559 -0.171 1
1 120 . 19 1 1 A 10 10 LEU CB C 10 46.946 44.341 2.605 1
1 121 . 19 1 1 A 10 10 LEU C C 10 174.640 175.099 -0.459 1
1 125 . 19 1 1 A 10 10 LEU H H 10 8.698 9.406 -0.708 1
1 126 . 19 1 1 A 10 10 LEU HA H 10 5.471 5.222 0.249 1
1 136 . 19 1 1 A 11 11 ASP N N 11 119.760 122.001 -2.241 1
1 137 . 19 1 1 A 11 11 ASP CA C 11 52.525 52.258 0.267 1
1 138 . 19 1 1 A 11 11 ASP CB C 11 44.683 44.906 -0.223 1
1 139 . 19 1 1 A 11 11 ASP C C 11 173.093 174.278 -1.185 1
1 140 . 19 1 1 A 11 11 ASP H H 11 8.673 9.275 -0.602 1
1 141 . 19 1 1 A 11 11 ASP HA H 11 5.126 5.740 -0.614 1
1 144 . 19 1 1 A 12 12 TYR N N 12 124.200 116.736 7.464 1
1 145 . 19 1 1 A 12 12 TYR CA C 12 57.883 55.257 2.626 1
1 146 . 19 1 1 A 12 12 TYR CB C 12 40.054 41.941 -1.887 1
1 147 . 19 1 1 A 12 12 TYR C C 12 171.962 172.532 -0.570 1
1 148 . 19 1 1 A 12 12 TYR H H 12 8.898 9.245 -0.347 1
1 149 . 19 1 1 A 12 12 TYR HA H 12 4.609 6.084 -1.475 1
1 154 . 19 1 1 A 13 13 ASP N N 13 126.400 123.537 2.863 1
1 155 . 19 1 1 A 13 13 ASP CA C 13 51.141 53.077 -1.936 1
1 156 . 19 1 1 A 13 13 ASP CB C 13 40.891 41.950 -1.059 1
1 157 . 19 1 1 A 13 13 ASP C C 13 175.599 176.848 -1.249 1
1 158 . 19 1 1 A 13 13 ASP H H 13 8.018 8.571 -0.553 1
1 159 . 19 1 1 A 13 13 ASP HA H 13 4.591 4.643 -0.052 1
1 162 . 19 1 1 A 14 14 PHE N N 14 123.575 124.183 -0.608 1
1 163 . 19 1 1 A 14 14 PHE CA C 14 60.734 58.470 2.264 1
1 164 . 19 1 1 A 14 14 PHE CB C 14 38.821 38.878 -0.057 1
1 165 . 19 1 1 A 14 14 PHE C C 14 176.704 176.155 0.549 1
1 166 . 19 1 1 A 14 14 PHE H H 14 8.540 8.046 0.494 1
1 167 . 19 1 1 A 14 14 PHE HA H 14 4.187 4.606 -0.419 1
1 170 . 19 1 1 A 15 15 GLN N N 15 118.500 117.079 1.421 1
1 172 . 19 1 1 A 15 15 GLN CA C 15 57.927 55.887 2.040 1
1 173 . 19 1 1 A 15 15 GLN CB C 15 28.129 28.046 0.083 1
1 175 . 19 1 1 A 15 15 GLN C C 15 176.646 176.671 -0.025 1
1 176 . 19 1 1 A 15 15 GLN H H 15 8.307 7.105 1.202 1
1 177 . 19 1 1 A 15 15 GLN HA H 15 4.150 4.230 -0.080 1
1 184 . 19 1 1 A 16 16 ASN N N 16 113.392 116.909 -3.517 1
1 185 . 19 1 1 A 16 16 ASN CA C 16 52.051 51.880 0.171 1
1 186 . 19 1 1 A 16 16 ASN CB C 16 39.238 37.814 1.424 1
1 187 . 19 1 1 A 16 16 ASN C C 16 173.191 175.069 -1.878 1
1 188 . 19 1 1 A 16 16 ASN H H 16 7.347 7.546 -0.199 1
1 189 . 19 1 1 A 16 16 ASN HA H 16 4.682 4.646 0.036 1
1 195 . 19 1 1 A 17 17 ASN N N 17 118.200 115.090 3.110 1
1 196 . 19 1 1 A 17 17 ASN CA C 17 54.524 54.689 -0.165 1
1 197 . 19 1 1 A 17 17 ASN CB C 17 36.825 36.597 0.228 1
1 198 . 19 1 1 A 17 17 ASN C C 17 175.797 173.710 2.087 1
1 199 . 19 1 1 A 17 17 ASN H H 17 7.682 8.008 -0.326 1
1 200 . 19 1 1 A 17 17 ASN HA H 17 4.300 4.491 -0.191 1
1 206 . 19 1 1 A 18 18 GLN N N 18 110.518 114.315 -3.797 1
1 208 . 19 1 1 A 18 18 GLN CA C 18 52.888 54.421 -1.533 1
1 209 . 19 1 1 A 18 18 GLN CB C 18 31.353 31.448 -0.095 1
1 211 . 19 1 1 A 18 18 GLN C C 18 171.717 173.995 -2.278 1
1 212 . 19 1 1 A 18 18 GLN H H 18 6.757 7.814 -1.057 1
1 213 . 19 1 1 A 18 18 GLN HA H 18 4.911 4.968 -0.057 1
1 220 . 19 1 1 A 19 19 LEU N N 19 124.400 124.410 -0.010 1
1 221 . 19 1 1 A 19 19 LEU CA C 19 53.873 54.112 -0.239 1
1 222 . 19 1 1 A 19 19 LEU CB C 19 44.558 41.994 2.564 1
1 226 . 19 1 1 A 19 19 LEU C C 19 173.731 176.126 -2.395 1
1 227 . 19 1 1 A 19 19 LEU H H 19 9.048 8.494 0.554 1
1 228 . 19 1 1 A 19 19 LEU HA H 19 4.543 4.440 0.103 1
1 238 . 19 1 1 A 20 20 LEU N N 20 128.415 122.209 6.206 1
1 239 . 19 1 1 A 20 20 LEU CA C 20 53.695 53.517 0.178 1
1 240 . 19 1 1 A 20 20 LEU CB C 20 41.956 45.008 -3.052 1
1 244 . 19 1 1 A 20 20 LEU C C 20 175.696 175.593 0.103 1
1 245 . 19 1 1 A 20 20 LEU H H 20 9.021 9.123 -0.102 1
1 246 . 19 1 1 A 20 20 LEU HA H 20 4.852 5.453 -0.601 1
1 256 . 19 1 1 A 21 21 VAL N N 21 125.838 124.482 1.356 1
1 257 . 19 1 1 A 21 21 VAL CA C 21 60.511 61.398 -0.887 1
1 258 . 19 1 1 A 21 21 VAL CB C 21 45.331 32.069 13.262 1
1 260 . 19 1 1 A 21 21 VAL C C 21 173.979 174.918 -0.939 1
1 261 . 19 1 1 A 21 21 VAL H H 21 9.073 9.238 -0.165 1
1 262 . 19 1 1 A 21 21 VAL HA H 21 4.853 4.468 0.385 1
1 270 . 19 1 1 A 22 22 GLY N N 22 117.254 113.802 3.452 1
1 271 . 19 1 1 A 22 22 GLY CA C 22 43.843 45.755 -1.912 1
1 272 . 19 1 1 A 22 22 GLY C C 22 172.485 174.300 -1.815 1
1 273 . 19 1 1 A 22 22 GLY H H 22 9.486 9.054 0.432 1
1 274 . 19 1 1 A 22 22 GLY HA3 H 22 4.653 4.493 0.160 1
1 275 . 19 1 1 A 22 22 GLY HA2 H 22 3.520 4.057 -0.537 1
1 276 . 19 1 1 A 23 23 ILE N N 23 125.106 122.295 2.811 1
1 277 . 19 1 1 A 23 23 ILE CA C 23 58.182 59.703 -1.521 1
1 278 . 19 1 1 A 23 23 ILE CB C 23 35.290 38.323 -3.033 1
1 282 . 19 1 1 A 23 23 ILE C C 23 174.346 175.753 -1.407 1
1 283 . 19 1 1 A 23 23 ILE H H 23 8.831 8.720 0.111 1
1 284 . 19 1 1 A 23 23 ILE HA H 23 4.330 4.764 -0.434 1
1 294 . 19 1 1 A 24 24 ILE N N 24 126.735 120.955 5.780 1
1 295 . 19 1 1 A 24 24 ILE CA C 24 65.005 62.733 2.272 1
1 296 . 19 1 1 A 24 24 ILE CB C 24 37.790 38.908 -1.118 1
1 300 . 19 1 1 A 24 24 ILE C C 24 177.149 176.282 0.867 1
1 301 . 19 1 1 A 24 24 ILE H H 24 8.365 8.677 -0.312 1
1 302 . 19 1 1 A 24 24 ILE HA H 24 3.903 4.389 -0.486 1
1 312 . 19 1 1 A 25 25 GLN N N 25 110.662 115.408 -4.746 1
1 314 . 19 1 1 A 25 25 GLN CA C 25 54.295 54.894 -0.599 1
1 315 . 19 1 1 A 25 25 GLN CB C 25 30.953 31.884 -0.931 1
1 317 . 19 1 1 A 25 25 GLN C C 25 171.152 174.150 -2.998 1
1 318 . 19 1 1 A 25 25 GLN H H 25 7.706 7.545 0.161 1
1 319 . 19 1 1 A 25 25 GLN HA H 25 5.123 5.007 0.116 1
1 325 . 19 1 1 A 26 26 ALA N N 26 121.300 121.573 -0.273 1
1 326 . 19 1 1 A 26 26 ALA CA C 26 49.951 51.784 -1.833 1
1 327 . 19 1 1 A 26 26 ALA CB C 26 22.406 22.227 0.179 1
1 328 . 19 1 1 A 26 26 ALA C C 26 171.937 176.037 -4.100 1
1 329 . 19 1 1 A 26 26 ALA H H 26 9.195 8.989 0.206 1
1 330 . 19 1 1 A 26 26 ALA HA H 26 5.740 4.956 0.784 1
1 334 . 19 1 1 A 27 27 ALA N N 27 120.100 120.383 -0.283 1
1 335 . 19 1 1 A 27 27 ALA CA C 27 50.524 52.417 -1.893 1
1 336 . 19 1 1 A 27 27 ALA CB C 27 24.047 21.704 2.343 1
1 337 . 19 1 1 A 27 27 ALA C C 27 174.984 176.123 -1.139 1
1 338 . 19 1 1 A 27 27 ALA H H 27 9.118 8.338 0.780 1
1 339 . 19 1 1 A 27 27 ALA HA H 27 5.353 4.546 0.807 1
1 343 . 19 1 1 A 28 28 GLU N N 28 112.600 122.224 -9.624 1
1 344 . 19 1 1 A 28 28 GLU CA C 28 56.032 57.414 -1.382 1
1 345 . 19 1 1 A 28 28 GLU CB C 28 25.966 28.037 -2.071 1
1 347 . 19 1 1 A 28 28 GLU C C 28 174.427 175.449 -1.022 1
1 348 . 19 1 1 A 28 28 GLU H H 28 8.453 8.780 -0.327 1
1 349 . 19 1 1 A 28 28 GLU HA H 28 3.648 3.759 -0.111 1
1 354 . 19 1 1 A 29 29 LEU N N 29 116.093 119.909 -3.816 1
1 355 . 19 1 1 A 29 29 LEU CA C 29 53.295 52.420 0.875 1
1 356 . 19 1 1 A 29 29 LEU CB C 29 39.640 42.193 -2.553 1
1 360 . 19 1 1 A 29 29 LEU C C 29 173.800 174.554 -0.754 1
1 361 . 19 1 1 A 29 29 LEU H H 29 7.951 8.292 -0.341 1
1 362 . 19 1 1 A 29 29 LEU HA H 29 4.330 4.732 -0.402 1
1 372 . 19 1 1 A 30 30 PRO CA C 30 61.760 62.541 -0.781 1
1 373 . 19 1 1 A 30 30 PRO CB C 30 31.492 32.044 -0.552 1
1 376 . 19 1 1 A 30 30 PRO C C 30 175.525 176.697 -1.172 1
1 377 . 19 1 1 A 30 30 PRO HA H 30 4.327 4.497 -0.170 1
1 383 . 19 1 1 A 31 31 ALA N N 31 122.487 124.259 -1.772 1
1 384 . 19 1 1 A 31 31 ALA CA C 31 50.604 52.524 -1.920 1
1 385 . 19 1 1 A 31 31 ALA CB C 31 18.576 19.330 -0.754 1
1 386 . 19 1 1 A 31 31 ALA C C 31 177.222 177.804 -0.582 1
1 387 . 19 1 1 A 31 31 ALA H H 31 8.128 8.401 -0.273 1
1 388 . 19 1 1 A 31 31 ALA HA H 31 4.130 4.513 -0.383 1
1 392 . 19 1 1 A 32 32 LEU N N 32 124.400 124.062 0.338 1
1 393 . 19 1 1 A 32 32 LEU CA C 32 55.041 53.909 1.132 1
1 394 . 19 1 1 A 32 32 LEU CB C 32 42.916 41.874 1.042 1
1 398 . 19 1 1 A 32 32 LEU C C 32 176.852 175.159 1.693 1
1 399 . 19 1 1 A 32 32 LEU H H 32 8.035 8.979 -0.944 1
1 400 . 19 1 1 A 32 32 LEU HA H 32 4.240 4.677 -0.437 1
1 410 . 19 1 1 A 33 33 ASP N N 33 119.800 120.142 -0.342 1
1 411 . 19 1 1 A 33 33 ASP CA C 33 52.948 53.147 -0.199 1
1 412 . 19 1 1 A 33 33 ASP CB C 33 41.578 44.802 -3.224 1
1 413 . 19 1 1 A 33 33 ASP C C 33 176.200 173.906 2.294 1
1 414 . 19 1 1 A 33 33 ASP H H 33 8.400 7.105 1.295 1
1 415 . 19 1 1 A 33 33 ASP HA H 33 4.785 5.102 -0.317 1
1 418 . 19 1 1 A 34 34 MET N N 34 120.000 123.061 -3.061 1
1 419 . 19 1 1 A 34 34 MET CA C 34 56.561 54.417 2.144 1
1 420 . 19 1 1 A 34 34 MET CB C 34 31.288 31.012 0.276 1
1 422 . 19 1 1 A 34 34 MET C C 34 176.483 176.532 -0.049 1
1 423 . 19 1 1 A 34 34 MET H H 34 8.492 8.790 -0.298 1
1 424 . 19 1 1 A 34 34 MET HA H 34 4.213 4.471 -0.258 1
1 429 . 19 1 1 A 35 35 GLY N N 35 110.400 109.031 1.369 1
1 430 . 19 1 1 A 35 35 GLY CA C 35 44.884 45.333 -0.449 1
1 431 . 19 1 1 A 35 35 GLY C C 35 174.831 175.102 -0.271 1
1 432 . 19 1 1 A 35 35 GLY H H 35 8.668 8.358 0.310 1
1 433 . 19 1 1 A 35 35 GLY HA3 H 35 4.039 4.084 -0.045 1
1 434 . 19 1 1 A 35 35 GLY HA2 H 35 3.818 4.079 -0.261 1
1 435 . 19 1 1 A 36 36 GLY N N 36 107.400 109.558 -2.158 1
1 436 . 19 1 1 A 36 36 GLY CA C 36 45.427 46.716 -1.289 1
1 437 . 19 1 1 A 36 36 GLY C C 36 173.194 173.593 -0.399 1
1 438 . 19 1 1 A 36 36 GLY H H 36 8.008 7.813 0.195 1
1 439 . 19 1 1 A 36 36 GLY HA3 H 36 4.000 3.923 0.077 1
1 440 . 19 1 1 A 36 36 GLY HA2 H 36 3.861 3.922 -0.061 1
1 441 . 19 1 1 A 37 37 THR N N 37 111.100 110.155 0.945 1
1 442 . 19 1 1 A 37 37 THR CA C 37 59.954 59.693 0.261 1
1 443 . 19 1 1 A 37 37 THR CB C 37 70.589 72.923 -2.334 1
1 445 . 19 1 1 A 37 37 THR C C 37 171.355 172.561 -1.206 1
1 446 . 19 1 1 A 37 37 THR H H 37 7.476 7.516 -0.040 1
1 447 . 19 1 1 A 37 37 THR HA H 37 4.511 5.040 -0.529 1
1 450 . 19 1 1 A 38 38 SER N N 38 115.811 115.004 0.807 1
1 451 . 19 1 1 A 38 38 SER CA C 38 57.664 56.538 1.126 1
1 452 . 19 1 1 A 38 38 SER CB C 38 70.510 66.257 4.253 1
1 453 . 19 1 1 A 38 38 SER C C 38 170.198 173.191 -2.993 1
1 454 . 19 1 1 A 38 38 SER H H 38 7.257 8.904 -1.647 1
1 455 . 19 1 1 A 38 38 SER HA H 38 4.707 5.159 -0.452 1
1 458 . 19 1 1 A 39 39 ASP N N 39 121.288 120.700 0.588 1
1 459 . 19 1 1 A 39 39 ASP CA C 39 51.058 51.654 -0.596 1
1 460 . 19 1 1 A 39 39 ASP CB C 39 42.210 41.941 0.269 1
1 461 . 19 1 1 A 39 39 ASP C C 39 172.500 173.574 -1.074 1
1 462 . 19 1 1 A 39 39 ASP H H 39 8.698 8.472 0.226 1
1 463 . 19 1 1 A 39 39 ASP HA H 39 5.940 6.134 -0.194 1
1 466 . 19 1 1 A 40 40 PRO CA C 40 62.440 63.374 -0.934 1
1 467 . 19 1 1 A 40 40 PRO CB C 40 34.370 32.460 1.910 1
1 470 . 19 1 1 A 40 40 PRO C C 40 176.317 175.336 0.981 1
1 471 . 19 1 1 A 40 40 PRO HA H 40 5.826 4.715 1.111 1
1 478 . 19 1 1 A 41 41 TYR N N 41 113.769 124.570 -10.801 1
1 479 . 19 1 1 A 41 41 TYR CA C 41 56.150 58.208 -2.058 1
1 480 . 19 1 1 A 41 41 TYR CB C 41 40.246 41.998 -1.752 1
1 481 . 19 1 1 A 41 41 TYR C C 41 171.425 173.779 -2.354 1
1 482 . 19 1 1 A 41 41 TYR H H 41 8.703 9.114 -0.411 1
1 483 . 19 1 1 A 41 41 TYR HA H 41 4.795 5.262 -0.467 1
1 487 . 19 1 1 A 42 42 VAL N N 42 119.919 123.272 -3.353 1
1 488 . 19 1 1 A 42 42 VAL CA C 42 60.064 60.560 -0.496 1
1 489 . 19 1 1 A 42 42 VAL CB C 42 33.816 33.297 0.519 1
1 492 . 19 1 1 A 42 42 VAL C C 42 174.456 174.833 -0.377 1
1 493 . 19 1 1 A 42 42 VAL HA H 42 5.020 5.127 -0.107 1
1 501 . 19 1 1 A 43 43 LYS N N 43 125.776 125.545 0.231 1
1 502 . 19 1 1 A 43 43 LYS CA C 43 54.601 55.629 -1.028 1
1 503 . 19 1 1 A 43 43 LYS CB C 43 36.096 32.988 3.108 1
1 507 . 19 1 1 A 43 43 LYS C C 43 174.518 175.639 -1.121 1
1 508 . 19 1 1 A 43 43 LYS H H 43 9.415 9.127 0.288 1
1 509 . 19 1 1 A 43 43 LYS HA H 43 5.374 4.617 0.757 1
1 518 . 19 1 1 A 44 44 VAL N N 44 121.484 126.272 -4.788 1
1 519 . 19 1 1 A 44 44 VAL CA C 44 59.365 61.347 -1.982 1
1 520 . 19 1 1 A 44 44 VAL CB C 44 34.818 32.852 1.966 1
1 523 . 19 1 1 A 44 44 VAL C C 44 173.928 175.304 -1.376 1
1 524 . 19 1 1 A 44 44 VAL H H 44 8.845 8.821 0.024 1
1 525 . 19 1 1 A 44 44 VAL HA H 44 5.326 4.900 0.426 1
1 533 . 19 1 1 A 45 45 PHE N N 45 120.600 123.556 -2.956 1
1 534 . 19 1 1 A 45 45 PHE CA C 45 55.886 55.510 0.376 1
1 535 . 19 1 1 A 45 45 PHE CB C 45 39.882 41.690 -1.808 1
1 536 . 19 1 1 A 45 45 PHE C C 45 171.102 172.208 -1.106 1
1 537 . 19 1 1 A 45 45 PHE H H 45 8.254 8.868 -0.614 1
1 538 . 19 1 1 A 45 45 PHE HA H 45 4.971 5.400 -0.429 1
1 541 . 19 1 1 A 46 46 LEU N N 46 121.444 119.852 1.592 1
1 542 . 19 1 1 A 46 46 LEU CA C 46 52.376 53.475 -1.099 1
1 543 . 19 1 1 A 46 46 LEU CB C 46 43.229 45.087 -1.858 1
1 547 . 19 1 1 A 46 46 LEU C C 46 176.176 176.804 -0.628 1
1 548 . 19 1 1 A 46 46 LEU H H 46 9.137 8.889 0.248 1
1 549 . 19 1 1 A 46 46 LEU HA H 46 4.189 5.093 -0.904 1
1 559 . 19 1 1 A 47 47 LEU N N 47 123.900 121.764 2.136 1
1 560 . 19 1 1 A 47 47 LEU CA C 47 52.926 53.031 -0.105 1
1 561 . 19 1 1 A 47 47 LEU CB C 47 41.010 42.160 -1.150 1
1 565 . 19 1 1 A 47 47 LEU C C 47 175.800 178.025 -2.225 1
1 566 . 19 1 1 A 47 47 LEU H H 47 8.945 8.080 0.865 1
1 567 . 19 1 1 A 47 47 LEU HA H 47 4.185 4.839 -0.654 1
1 577 . 19 1 1 A 48 48 PRO CA C 48 62.992 65.814 -2.822 1
1 578 . 19 1 1 A 48 48 PRO CB C 48 24.080 31.625 -7.545 1
1 581 . 19 1 1 A 48 48 PRO C C 48 176.188 177.919 -1.731 1
1 582 . 19 1 1 A 48 48 PRO HA H 48 4.474 4.239 0.235 1
1 588 . 19 1 1 A 49 49 ASP N N 49 113.800 117.063 -3.263 1
1 589 . 19 1 1 A 49 49 ASP CA C 49 55.199 57.010 -1.811 1
1 590 . 19 1 1 A 49 49 ASP CB C 49 40.158 40.721 -0.563 1
1 591 . 19 1 1 A 49 49 ASP C C 49 175.304 176.061 -0.757 1
1 592 . 19 1 1 A 49 49 ASP H H 49 8.467 8.751 -0.284 1
1 593 . 19 1 1 A 49 49 ASP HA H 49 4.576 4.398 0.178 1
1 596 . 19 1 1 A 50 50 LYS N N 50 120.081 118.498 1.583 1
1 597 . 19 1 1 A 50 50 LYS CA C 50 56.803 57.135 -0.332 1
1 598 . 19 1 1 A 50 50 LYS CB C 50 32.059 30.872 1.187 1
1 602 . 19 1 1 A 50 50 LYS H H 50 8.329 8.067 0.262 1
1 603 . 19 1 1 A 50 50 LYS HA H 50 3.949 3.988 -0.039 1
1 604 . 19 1 1 A 50 50 LYS C C 50 175.754 176.701 -0.947 1
1 613 . 19 1 1 A 51 51 LYS N N 51 117.896 117.956 -0.060 1
1 614 . 19 1 1 A 51 51 LYS CA C 51 57.360 55.948 1.412 1
1 615 . 19 1 1 A 51 51 LYS CB C 51 32.230 32.555 -0.325 1
1 619 . 19 1 1 A 51 51 LYS H H 51 8.099 8.158 -0.059 1
1 620 . 19 1 1 A 51 51 LYS HA H 51 3.950 4.380 -0.430 1
1 621 . 19 1 1 A 51 51 LYS C C 51 176.619 175.216 1.403 1
1 630 . 19 1 1 A 52 52 LYS N N 52 120.200 116.923 3.277 1
1 631 . 19 1 1 A 52 52 LYS CA C 52 54.688 54.847 -0.159 1
1 632 . 19 1 1 A 52 52 LYS CB C 52 31.829 33.208 -1.379 1
1 636 . 19 1 1 A 52 52 LYS H H 52 7.447 7.673 -0.226 1
1 637 . 19 1 1 A 52 52 LYS HA H 52 4.259 4.115 0.144 1
1 638 . 19 1 1 A 52 52 LYS C C 52 173.420 174.585 -1.165 1
1 647 . 19 1 1 A 53 53 LYS N N 53 123.119 126.511 -3.392 1
1 648 . 19 1 1 A 53 53 LYS CA C 53 53.698 55.767 -2.069 1
1 649 . 19 1 1 A 53 53 LYS CB C 53 41.592 33.346 8.246 1
1 653 . 19 1 1 A 53 53 LYS H H 53 7.810 8.823 -1.013 1
1 654 . 19 1 1 A 53 53 LYS HA H 53 5.004 4.742 0.262 1
1 655 . 19 1 1 A 53 53 LYS C C 53 174.468 175.233 -0.765 1
1 664 . 19 1 1 A 54 54 PHE N N 54 120.200 128.441 -8.241 1
1 665 . 19 1 1 A 54 54 PHE CA C 54 56.583 57.010 -0.427 1
1 666 . 19 1 1 A 54 54 PHE CB C 54 42.110 42.298 -0.188 1
1 667 . 19 1 1 A 54 54 PHE C C 54 173.801 174.363 -0.562 1
1 668 . 19 1 1 A 54 54 PHE H H 54 8.490 8.636 -0.146 1
1 669 . 19 1 1 A 54 54 PHE HA H 54 4.680 5.195 -0.515 1
1 672 . 19 1 1 A 55 55 GLU N N 55 117.600 125.895 -8.295 1
1 673 . 19 1 1 A 55 55 GLU CA C 55 53.537 55.410 -1.873 1
1 674 . 19 1 1 A 55 55 GLU CB C 55 33.241 32.547 0.694 1
1 676 . 19 1 1 A 55 55 GLU C C 55 176.694 174.775 1.919 1
1 677 . 19 1 1 A 55 55 GLU H H 55 8.309 7.269 1.040 1
1 678 . 19 1 1 A 55 55 GLU HA H 55 5.690 4.272 1.418 1
1 683 . 19 1 1 A 56 56 THR N N 56 111.700 121.235 -9.535 1
1 684 . 19 1 1 A 56 56 THR CA C 56 60.989 62.432 -1.443 1
1 685 . 19 1 1 A 56 56 THR CB C 56 71.860 69.268 2.592 1
1 687 . 19 1 1 A 56 56 THR C C 56 174.385 174.170 0.215 1
1 688 . 19 1 1 A 56 56 THR H H 56 8.775 7.912 0.863 1
1 689 . 19 1 1 A 56 56 THR HA H 56 4.838 4.430 0.408 1
1 692 . 19 1 1 A 57 57 LYS N N 57 119.500 124.903 -5.403 1
1 693 . 19 1 1 A 57 57 LYS CA C 57 56.775 56.250 0.525 1
1 694 . 19 1 1 A 57 57 LYS CB C 57 32.743 33.031 -0.288 1
1 698 . 19 1 1 A 57 57 LYS H H 57 9.787 8.185 1.602 1
1 699 . 19 1 1 A 57 57 LYS HA H 57 4.151 4.307 -0.156 1
1 700 . 19 1 1 A 57 57 LYS C C 57 177.417 175.993 1.424 1
1 709 . 19 1 1 A 58 58 VAL N N 58 123.100 122.355 0.745 1
1 710 . 19 1 1 A 58 58 VAL CA C 58 61.870 61.754 0.116 1
1 711 . 19 1 1 A 58 58 VAL CB C 58 32.081 32.313 -0.232 1
1 714 . 19 1 1 A 58 58 VAL C C 58 176.850 175.296 1.554 1
1 715 . 19 1 1 A 58 58 VAL H H 58 8.120 8.375 -0.255 1
1 716 . 19 1 1 A 58 58 VAL HA H 58 4.284 4.182 0.102 1
1 724 . 19 1 1 A 59 59 HIS N N 59 128.800 124.892 3.908 1
1 725 . 19 1 1 A 59 59 HIS CA C 59 54.311 54.856 -0.545 1
1 726 . 19 1 1 A 59 59 HIS CB C 59 30.426 28.823 1.603 1
1 727 . 19 1 1 A 59 59 HIS C C 59 172.101 175.019 -2.918 1
1 728 . 19 1 1 A 59 59 HIS H H 59 8.550 8.322 0.228 1
1 729 . 19 1 1 A 59 59 HIS HA H 59 4.457 4.869 -0.412 1
1 732 . 19 1 1 A 60 60 ARG N N 60 118.700 123.524 -4.824 1
1 733 . 19 1 1 A 60 60 ARG CA C 60 55.702 56.342 -0.640 1
1 734 . 19 1 1 A 60 60 ARG CB C 60 30.713 30.218 0.495 1
1 737 . 19 1 1 A 60 60 ARG C C 60 176.252 175.984 0.268 1
1 738 . 19 1 1 A 60 60 ARG H H 60 8.211 8.543 -0.332 1
1 739 . 19 1 1 A 60 60 ARG HA H 60 4.389 4.746 -0.357 1
1 746 . 19 1 1 A 61 61 LYS N N 61 122.500 117.858 4.642 1
1 747 . 19 1 1 A 61 61 LYS CA C 61 55.977 57.119 -1.142 1
1 748 . 19 1 1 A 61 61 LYS CB C 61 29.711 29.545 0.166 1
1 752 . 19 1 1 A 61 61 LYS H H 61 9.608 8.981 0.627 1
1 753 . 19 1 1 A 61 61 LYS HA H 61 3.946 4.180 -0.234 1
1 754 . 19 1 1 A 61 61 LYS C C 61 175.083 174.981 0.102 1
1 763 . 19 1 1 A 62 62 THR N N 62 113.400 108.818 4.582 1
1 764 . 19 1 1 A 62 62 THR CA C 62 59.755 60.336 -0.581 1
1 765 . 19 1 1 A 62 62 THR CB C 62 63.417 71.695 -8.278 1
1 767 . 19 1 1 A 62 62 THR C C 62 170.120 173.980 -3.860 1
1 768 . 19 1 1 A 62 62 THR H H 62 8.470 7.623 0.847 1
1 769 . 19 1 1 A 62 62 THR HA H 62 4.703 4.912 -0.209 1
1 772 . 19 1 1 A 63 63 LEU N N 63 123.100 123.956 -0.856 1
1 773 . 19 1 1 A 63 63 LEU CA C 63 52.833 54.175 -1.342 1
1 774 . 19 1 1 A 63 63 LEU CB C 63 40.311 41.609 -1.298 1
1 778 . 19 1 1 A 63 63 LEU C C 63 175.135 176.306 -1.171 1
1 779 . 19 1 1 A 63 63 LEU H H 63 8.257 8.690 -0.433 1
1 780 . 19 1 1 A 63 63 LEU HA H 63 4.483 4.531 -0.048 1
1 790 . 19 1 1 A 64 64 ASN N N 64 114.829 117.407 -2.578 1
1 792 . 19 1 1 A 64 64 ASN CA C 64 50.610 50.695 -0.085 1
1 793 . 19 1 1 A 64 64 ASN CB C 64 40.550 38.815 1.735 1
1 794 . 19 1 1 A 64 64 ASN C C 64 171.500 173.104 -1.604 1
1 795 . 19 1 1 A 64 64 ASN H H 64 8.306 7.960 0.346 1
1 796 . 19 1 1 A 64 64 ASN HA H 64 5.450 5.186 0.264 1
1 801 . 19 1 1 A 65 65 PRO CA C 65 61.914 62.105 -0.191 1
1 802 . 19 1 1 A 65 65 PRO CB C 65 30.780 32.283 -1.503 1
1 805 . 19 1 1 A 65 65 PRO C C 65 173.852 175.960 -2.108 1
1 806 . 19 1 1 A 65 65 PRO HA H 65 3.970 4.575 -0.605 1
1 813 . 19 1 1 A 66 66 VAL N N 66 121.000 116.814 4.186 1
1 814 . 19 1 1 A 66 66 VAL CA C 66 61.782 60.142 1.640 1
1 815 . 19 1 1 A 66 66 VAL CB C 66 32.721 33.872 -1.151 1
1 818 . 19 1 1 A 66 66 VAL C C 66 175.152 175.473 -0.321 1
1 819 . 19 1 1 A 66 66 VAL H H 66 7.926 7.866 0.060 1
1 820 . 19 1 1 A 66 66 VAL HA H 66 3.807 4.668 -0.861 1
1 828 . 19 1 1 A 67 67 PHE N N 67 123.400 124.990 -1.590 1
1 829 . 19 1 1 A 67 67 PHE CA C 67 59.262 59.864 -0.602 1
1 830 . 19 1 1 A 67 67 PHE CB C 67 39.849 39.950 -0.101 1
1 831 . 19 1 1 A 67 67 PHE C C 67 175.748 175.839 -0.091 1
1 832 . 19 1 1 A 67 67 PHE H H 67 8.150 8.711 -0.561 1
1 833 . 19 1 1 A 67 67 PHE HA H 67 4.378 4.164 0.214 1
1 836 . 19 1 1 A 68 68 ASN N N 68 117.500 117.078 0.422 1
1 837 . 19 1 1 A 68 68 ASN CA C 68 53.983 54.243 -0.260 1
1 838 . 19 1 1 A 68 68 ASN CB C 68 37.351 36.909 0.442 1
1 839 . 19 1 1 A 68 68 ASN C C 68 173.314 174.068 -0.754 1
1 840 . 19 1 1 A 68 68 ASN H H 68 8.920 9.275 -0.355 1
1 841 . 19 1 1 A 68 68 ASN HA H 68 4.350 4.349 0.001 1
1 847 . 19 1 1 A 69 69 GLU N N 69 116.000 117.803 -1.803 1
1 848 . 19 1 1 A 69 69 GLU CA C 69 55.742 55.126 0.616 1
1 849 . 19 1 1 A 69 69 GLU CB C 69 34.663 32.738 1.925 1
1 851 . 19 1 1 A 69 69 GLU C C 69 174.165 175.333 -1.168 1
1 852 . 19 1 1 A 69 69 GLU H H 69 7.931 8.073 -0.142 1
1 853 . 19 1 1 A 69 69 GLU HA H 69 4.638 5.012 -0.374 1
1 858 . 19 1 1 A 70 70 GLN N N 70 121.500 124.190 -2.690 1
1 860 . 19 1 1 A 70 70 GLN CA C 70 53.807 55.738 -1.931 1
1 861 . 19 1 1 A 70 70 GLN CB C 70 31.750 29.369 2.381 1
1 863 . 19 1 1 A 70 70 GLN C C 70 173.068 175.225 -2.157 1
1 864 . 19 1 1 A 70 70 GLN H H 70 8.174 8.828 -0.654 1
1 865 . 19 1 1 A 70 70 GLN HA H 70 4.985 3.962 1.023 1
1 872 . 19 1 1 A 71 71 PHE N N 71 124.300 122.339 1.961 1
1 873 . 19 1 1 A 71 71 PHE CA C 71 55.249 56.838 -1.589 1
1 874 . 19 1 1 A 71 71 PHE CB C 71 42.133 38.741 3.392 1
1 875 . 19 1 1 A 71 71 PHE C C 71 173.570 174.788 -1.218 1
1 876 . 19 1 1 A 71 71 PHE H H 71 9.040 7.427 1.613 1
1 877 . 19 1 1 A 71 71 PHE HA H 71 4.528 4.512 0.016 1
1 880 . 19 1 1 A 72 72 THR N N 72 114.000 119.941 -5.941 1
1 881 . 19 1 1 A 72 72 THR CA C 72 59.491 62.875 -3.384 1
1 882 . 19 1 1 A 72 72 THR CB C 72 70.623 69.475 1.148 1
1 884 . 19 1 1 A 72 72 THR C C 72 172.834 173.611 -0.777 1
1 885 . 19 1 1 A 72 72 THR H H 72 7.763 8.028 -0.265 1
1 886 . 19 1 1 A 72 72 THR HA H 72 5.212 4.465 0.747 1
1 889 . 19 1 1 A 73 73 PHE N N 73 120.900 122.401 -1.501 1
1 890 . 19 1 1 A 73 73 PHE CA C 73 56.071 55.510 0.561 1
1 891 . 19 1 1 A 73 73 PHE CB C 73 41.570 40.698 0.872 1
1 892 . 19 1 1 A 73 73 PHE C C 73 174.890 175.461 -0.571 1
1 893 . 19 1 1 A 73 73 PHE H H 73 8.983 8.772 0.211 1
1 894 . 19 1 1 A 73 73 PHE HA H 73 4.750 5.460 -0.710 1
1 897 . 19 1 1 A 74 74 LYS N N 74 127.500 123.652 3.848 1
1 898 . 19 1 1 A 74 74 LYS CA C 74 56.186 56.304 -0.118 1
1 899 . 19 1 1 A 74 74 LYS CB C 74 30.577 33.727 -3.150 1
1 903 . 19 1 1 A 74 74 LYS C C 74 174.575 175.854 -1.279 1
1 904 . 19 1 1 A 74 74 LYS H H 74 9.063 9.113 -0.050 1
1 905 . 19 1 1 A 74 74 LYS HA H 74 4.690 4.442 0.248 1
1 914 . 19 1 1 A 75 75 VAL N N 75 126.600 121.642 4.958 1
1 915 . 19 1 1 A 75 75 VAL CA C 75 57.737 58.660 -0.923 1
1 916 . 19 1 1 A 75 75 VAL CB C 75 35.160 35.293 -0.133 1
1 919 . 19 1 1 A 75 75 VAL C C 75 171.500 173.856 -2.356 1
1 920 . 19 1 1 A 75 75 VAL H H 75 7.546 8.439 -0.893 1
1 921 . 19 1 1 A 75 75 VAL HA H 75 4.650 4.487 0.163 1
1 929 . 19 1 1 A 76 76 PRO CA C 76 62.476 62.798 -0.322 1
1 930 . 19 1 1 A 76 76 PRO CB C 76 32.143 32.463 -0.320 1
1 933 . 19 1 1 A 76 76 PRO C C 76 176.991 176.971 0.020 1
1 934 . 19 1 1 A 76 76 PRO HA H 76 4.329 5.285 -0.956 1
1 941 . 19 1 1 A 77 77 TYR N N 77 128.500 125.006 3.494 1
1 942 . 19 1 1 A 77 77 TYR CA C 77 61.772 60.704 1.068 1
1 943 . 19 1 1 A 77 77 TYR CB C 77 37.898 37.451 0.447 1
1 944 . 19 1 1 A 77 77 TYR C C 77 177.516 177.615 -0.099 1
1 945 . 19 1 1 A 77 77 TYR H H 77 8.626 8.680 -0.054 1
1 946 . 19 1 1 A 77 77 TYR HA H 77 3.403 4.200 -0.797 1
1 950 . 19 1 1 A 78 78 SER N N 78 110.600 116.529 -5.929 1
1 951 . 19 1 1 A 78 78 SER H H 78 8.509 7.868 0.641 1
1 952 . 19 1 1 A 78 78 SER CA C 78 60.064 61.481 -1.417 1
1 953 . 19 1 1 A 78 78 SER CB C 78 62.022 62.905 -0.883 1
1 954 . 19 1 1 A 78 78 SER C C 78 175.292 176.117 -0.825 1
1 955 . 19 1 1 A 78 78 SER HA H 78 3.940 4.032 -0.092 1
1 958 . 19 1 1 A 79 79 GLU N N 79 119.000 120.943 -1.943 1
1 959 . 19 1 1 A 79 79 GLU CA C 79 55.273 56.481 -1.208 1
1 960 . 19 1 1 A 79 79 GLU CB C 79 30.302 30.041 0.261 1
1 962 . 19 1 1 A 79 79 GLU C C 79 177.218 179.065 -1.847 1
1 963 . 19 1 1 A 79 79 GLU H H 79 7.411 8.157 -0.746 1
1 964 . 19 1 1 A 79 79 GLU HA H 79 4.280 4.250 0.030 1
1 969 . 19 1 1 A 80 80 LEU N N 80 121.600 122.461 -0.861 1
1 970 . 19 1 1 A 80 80 LEU CA C 80 57.376 57.835 -0.459 1
1 971 . 19 1 1 A 80 80 LEU CB C 80 41.916 41.780 0.136 1
1 975 . 19 1 1 A 80 80 LEU C C 80 177.098 178.463 -1.365 1
1 976 . 19 1 1 A 80 80 LEU H H 80 7.311 8.908 -1.597 1
1 977 . 19 1 1 A 80 80 LEU HA H 80 3.643 3.983 -0.340 1
1 987 . 19 1 1 A 81 81 GLY N N 81 102.900 106.910 -4.010 1
1 988 . 19 1 1 A 81 81 GLY CA C 81 46.638 47.428 -0.790 1
1 989 . 19 1 1 A 81 81 GLY C C 81 174.240 176.546 -2.306 1
1 990 . 19 1 1 A 81 81 GLY H H 81 7.860 8.391 -0.531 1
1 991 . 19 1 1 A 81 81 GLY HA3 H 81 3.744 3.783 -0.039 1
1 992 . 19 1 1 A 81 81 GLY HA2 H 81 3.434 3.779 -0.345 1
1 993 . 19 1 1 A 82 82 GLY N N 82 105.900 108.696 -2.796 1
1 994 . 19 1 1 A 82 82 GLY CA C 82 44.289 46.983 -2.694 1
1 995 . 19 1 1 A 82 82 GLY C C 82 174.591 174.632 -0.041 1
1 996 . 19 1 1 A 82 82 GLY H H 82 7.396 8.150 -0.754 1
1 997 . 19 1 1 A 82 82 GLY HA3 H 82 4.267 3.873 0.394 1
1 998 . 19 1 1 A 82 82 GLY HA2 H 82 3.760 3.871 -0.111 1
1 999 . 19 1 1 A 83 83 LYS N N 83 119.000 119.046 -0.046 1
1 1000 . 19 1 1 A 83 83 LYS CA C 83 53.818 55.337 -1.519 1
1 1001 . 19 1 1 A 83 83 LYS CB C 83 33.814 33.521 0.293 1
1 1005 . 19 1 1 A 83 83 LYS H H 83 7.888 7.364 0.524 1
1 1006 . 19 1 1 A 83 83 LYS HA H 83 4.366 4.598 -0.232 1
1 1007 . 19 1 1 A 83 83 LYS C C 83 176.518 175.968 0.550 1
1 1015 . 19 1 1 A 84 84 THR N N 84 118.500 113.123 5.377 1
1 1016 . 19 1 1 A 84 84 THR CA C 84 61.914 60.357 1.557 1
1 1017 . 19 1 1 A 84 84 THR CB C 84 71.340 71.228 0.112 1
1 1019 . 19 1 1 A 84 84 THR C C 84 171.750 173.106 -1.356 1
1 1020 . 19 1 1 A 84 84 THR H H 84 8.248 8.757 -0.509 1
1 1021 . 19 1 1 A 84 84 THR HA H 84 4.638 5.259 -0.621 1
1 1024 . 19 1 1 A 85 85 LEU N N 85 130.500 125.214 5.286 1
1 1025 . 19 1 1 A 85 85 LEU CA C 85 53.982 54.044 -0.062 1
1 1026 . 19 1 1 A 85 85 LEU CB C 85 43.826 42.961 0.865 1
1 1030 . 19 1 1 A 85 85 LEU C C 85 173.417 175.525 -2.108 1
1 1031 . 19 1 1 A 85 85 LEU H H 85 8.430 8.719 -0.289 1
1 1032 . 19 1 1 A 85 85 LEU HA H 85 4.417 4.684 -0.267 1
1 1042 . 19 1 1 A 86 86 VAL N N 86 127.723 122.158 5.565 1
1 1043 . 19 1 1 A 86 86 VAL CA C 86 61.206 59.034 2.172 1
1 1044 . 19 1 1 A 86 86 VAL CB C 86 31.856 34.219 -2.363 1
1 1047 . 19 1 1 A 86 86 VAL C C 86 173.599 173.574 0.025 1
1 1048 . 19 1 1 A 86 86 VAL H H 86 8.771 8.914 -0.143 1
1 1049 . 19 1 1 A 86 86 VAL HA H 86 4.151 4.535 -0.384 1
1 1057 . 19 1 1 A 87 87 MET N N 87 122.600 123.749 -1.149 1
1 1058 . 19 1 1 A 87 87 MET CA C 87 53.654 54.025 -0.371 1
1 1059 . 19 1 1 A 87 87 MET CB C 87 31.288 35.958 -4.670 1
1 1061 . 19 1 1 A 87 87 MET C C 87 172.749 174.549 -1.800 1
1 1062 . 19 1 1 A 87 87 MET H H 87 7.503 8.581 -1.078 1
1 1063 . 19 1 1 A 87 87 MET HA H 87 4.706 5.028 -0.322 1
1 1068 . 19 1 1 A 88 88 ALA N N 88 124.200 126.459 -2.259 1
1 1069 . 19 1 1 A 88 88 ALA CA C 88 50.017 50.941 -0.924 1
1 1070 . 19 1 1 A 88 88 ALA CB C 88 23.107 21.554 1.553 1
1 1071 . 19 1 1 A 88 88 ALA C C 88 174.558 175.810 -1.252 1
1 1072 . 19 1 1 A 88 88 ALA H H 88 8.755 8.641 0.114 1
1 1073 . 19 1 1 A 88 88 ALA HA H 88 4.948 5.235 -0.287 1
1 1077 . 19 1 1 A 89 89 VAL N N 89 122.900 123.564 -0.664 1
1 1078 . 19 1 1 A 89 89 VAL CA C 89 60.881 62.990 -2.109 1
1 1079 . 19 1 1 A 89 89 VAL CB C 89 31.541 31.750 -0.209 1
1 1082 . 19 1 1 A 89 89 VAL C C 89 173.707 174.766 -1.059 1
1 1083 . 19 1 1 A 89 89 VAL H H 89 8.813 8.771 0.042 1
1 1084 . 19 1 1 A 89 89 VAL HA H 89 4.652 5.218 -0.566 1
1 1092 . 19 1 1 A 90 90 TYR N N 90 128.400 128.845 -0.445 1
1 1093 . 19 1 1 A 90 90 TYR CA C 90 56.230 56.341 -0.111 1
1 1094 . 19 1 1 A 90 90 TYR CB C 90 43.211 41.658 1.553 1
1 1095 . 19 1 1 A 90 90 TYR C C 90 173.024 173.711 -0.687 1
1 1096 . 19 1 1 A 90 90 TYR H H 90 9.067 10.217 -1.150 1
1 1097 . 19 1 1 A 90 90 TYR HA H 90 4.766 5.438 -0.672 1
1 1101 . 19 1 1 A 91 91 ASP N N 91 116.300 129.352 -13.052 1
1 1102 . 19 1 1 A 91 91 ASP CA C 91 51.800 52.845 -1.045 1
1 1103 . 19 1 1 A 91 91 ASP CB C 91 42.265 42.376 -0.111 1
1 1104 . 19 1 1 A 91 91 ASP C C 91 175.823 174.770 1.053 1
1 1105 . 19 1 1 A 91 91 ASP H H 91 8.700 8.321 0.379 1
1 1106 . 19 1 1 A 91 91 ASP HA H 91 5.098 5.089 0.009 1
1 1109 . 19 1 1 A 92 92 PHE N N 92 128.100 127.994 0.106 1
1 1110 . 19 1 1 A 92 92 PHE CA C 92 58.830 56.569 2.261 1
1 1111 . 19 1 1 A 92 92 PHE CB C 92 31.850 38.711 -6.861 1
1 1112 . 19 1 1 A 92 92 PHE C C 92 173.437 175.725 -2.288 1
1 1113 . 19 1 1 A 92 92 PHE H H 92 9.540 8.832 0.708 1
1 1114 . 19 1 1 A 92 92 PHE HA H 92 4.480 4.189 0.291 1
1 1117 . 19 1 1 A 93 93 ASP N N 93 122.100 124.970 -2.870 1
1 1118 . 19 1 1 A 93 93 ASP CA C 93 53.701 53.045 0.656 1
1 1119 . 19 1 1 A 93 93 ASP CB C 93 41.736 40.146 1.590 1
1 1120 . 19 1 1 A 93 93 ASP C C 93 175.548 175.903 -0.355 1
1 1121 . 19 1 1 A 93 93 ASP H H 93 7.812 8.402 -0.590 1
1 1122 . 19 1 1 A 93 93 ASP HA H 93 4.480 4.710 -0.230 1
1 1125 . 19 1 1 A 94 94 ARG N N 94 121.500 113.808 7.692 1
1 1126 . 19 1 1 A 94 94 ARG CA C 94 56.142 57.417 -1.275 1
1 1127 . 19 1 1 A 94 94 ARG CB C 94 30.173 28.079 2.094 1
1 1129 . 19 1 1 A 94 94 ARG C C 94 175.795 175.214 0.581 1
1 1130 . 19 1 1 A 94 94 ARG H H 94 8.264 7.535 0.729 1
1 1131 . 19 1 1 A 94 94 ARG HA H 94 4.000 3.852 0.148 1
1 1138 . 19 1 1 A 95 95 PHE N N 95 118.600 118.219 0.381 1
1 1139 . 19 1 1 A 95 95 PHE CA C 95 59.850 59.043 0.807 1
1 1140 . 19 1 1 A 95 95 PHE CB C 95 38.955 40.755 -1.800 1
1 1141 . 19 1 1 A 95 95 PHE C C 95 172.969 174.764 -1.795 1
1 1142 . 19 1 1 A 95 95 PHE H H 95 6.889 7.591 -0.702 1
1 1143 . 19 1 1 A 95 95 PHE HA H 95 4.373 4.810 -0.437 1
1 1146 . 19 1 1 A 96 96 SER N N 96 114.200 111.480 2.720 1
1 1147 . 19 1 1 A 96 96 SER H H 96 8.027 7.945 0.082 1
1 1148 . 19 1 1 A 96 96 SER CA C 96 57.596 57.523 0.073 1
1 1149 . 19 1 1 A 96 96 SER CB C 96 63.494 65.040 -1.546 1
1 1150 . 19 1 1 A 96 96 SER C C 96 174.149 173.991 0.158 1
1 1151 . 19 1 1 A 96 96 SER HA H 96 4.220 4.529 -0.309 1
1 1154 . 19 1 1 A 97 97 LYS N N 97 121.600 120.183 1.417 1
1 1155 . 19 1 1 A 97 97 LYS CA C 97 58.206 56.012 2.194 1
1 1156 . 19 1 1 A 97 97 LYS CB C 97 31.860 32.673 -0.813 1
1 1159 . 19 1 1 A 97 97 LYS H H 97 8.264 8.468 -0.204 1
1 1160 . 19 1 1 A 97 97 LYS HA H 97 4.202 4.039 0.163 1
1 1161 . 19 1 1 A 97 97 LYS C C 97 175.599 176.429 -0.830 1
1 1170 . 19 1 1 A 98 98 HIS N N 98 119.000 123.192 -4.192 1
1 1171 . 19 1 1 A 98 98 HIS CA C 98 54.159 56.898 -2.739 1
1 1172 . 19 1 1 A 98 98 HIS CB C 98 30.040 29.514 0.526 1
1 1173 . 19 1 1 A 98 98 HIS C C 98 174.050 174.445 -0.395 1
1 1174 . 19 1 1 A 98 98 HIS H H 98 8.350 7.776 0.574 1
1 1175 . 19 1 1 A 98 98 HIS HA H 98 4.784 5.237 -0.453 1
1 1178 . 19 1 1 A 99 99 ASP N N 99 122.600 125.204 -2.604 1
1 1179 . 19 1 1 A 99 99 ASP CA C 99 53.806 53.432 0.374 1
1 1180 . 19 1 1 A 99 99 ASP CB C 99 41.074 42.287 -1.213 1
1 1181 . 19 1 1 A 99 99 ASP C C 99 174.346 176.009 -1.663 1
1 1182 . 19 1 1 A 99 99 ASP H H 99 8.812 8.813 -0.001 1
1 1183 . 19 1 1 A 99 99 ASP HA H 99 4.781 4.918 -0.137 1
1 1186 . 19 1 1 A 100 100 ILE N N 100 122.400 126.714 -4.314 1
1 1187 . 19 1 1 A 100 100 ILE CA C 100 60.989 62.407 -1.418 1
1 1188 . 19 1 1 A 100 100 ILE CB C 100 38.823 37.879 0.944 1
1 1192 . 19 1 1 A 100 100 ILE C C 100 174.431 177.810 -3.379 1
1 1193 . 19 1 1 A 100 100 ILE H H 100 8.075 9.002 -0.927 1
1 1194 . 19 1 1 A 100 100 ILE HA H 100 3.405 4.384 -0.979 1
1 1204 . 19 1 1 A 101 101 ILE N N 101 127.400 123.930 3.470 1
1 1205 . 19 1 1 A 101 101 ILE CA C 101 63.380 62.948 0.432 1
1 1206 . 19 1 1 A 101 101 ILE CB C 101 38.058 38.454 -0.396 1
1 1210 . 19 1 1 A 101 101 ILE C C 101 175.859 176.362 -0.503 1
1 1211 . 19 1 1 A 101 101 ILE H H 101 9.219 8.668 0.551 1
1 1212 . 19 1 1 A 101 101 ILE HA H 101 3.869 4.181 -0.312 1
1 1219 . 19 1 1 A 102 102 GLY N N 102 101.500 109.644 -8.144 1
1 1220 . 19 1 1 A 102 102 GLY CA C 102 45.259 46.120 -0.861 1
1 1221 . 19 1 1 A 102 102 GLY C C 102 169.614 171.170 -1.556 1
1 1222 . 19 1 1 A 102 102 GLY H H 102 7.241 7.182 0.059 1
1 1223 . 19 1 1 A 102 102 GLY HA3 H 102 4.024 4.125 -0.101 1
1 1224 . 19 1 1 A 102 102 GLY HA2 H 102 3.811 4.122 -0.311 1
1 1225 . 19 1 1 A 103 103 GLU N N 103 117.100 116.951 0.149 1
1 1226 . 19 1 1 A 103 103 GLU CA C 103 54.229 55.270 -1.041 1
1 1227 . 19 1 1 A 103 103 GLU CB C 103 34.012 32.979 1.033 1
1 1229 . 19 1 1 A 103 103 GLU C C 103 173.993 174.638 -0.645 1
1 1230 . 19 1 1 A 103 103 GLU H H 103 9.499 9.286 0.213 1
1 1231 . 19 1 1 A 103 103 GLU HA H 103 5.513 5.301 0.212 1
1 1236 . 19 1 1 A 104 104 PHE N N 104 115.900 117.429 -1.529 1
1 1237 . 19 1 1 A 104 104 PHE CA C 104 58.037 55.837 2.200 1
1 1238 . 19 1 1 A 104 104 PHE CB C 104 41.030 42.869 -1.839 1
1 1239 . 19 1 1 A 104 104 PHE C C 104 171.749 172.899 -1.150 1
1 1240 . 19 1 1 A 104 104 PHE H H 104 8.525 9.026 -0.501 1
1 1241 . 19 1 1 A 104 104 PHE HA H 104 4.731 5.563 -0.832 1
1 1244 . 19 1 1 A 105 105 LYS N N 105 118.900 120.282 -1.382 1
1 1245 . 19 1 1 A 105 105 LYS CA C 105 53.771 54.871 -1.100 1
1 1246 . 19 1 1 A 105 105 LYS CB C 105 34.953 35.392 -0.439 1
1 1250 . 19 1 1 A 105 105 LYS H H 105 7.805 8.726 -0.921 1
1 1251 . 19 1 1 A 105 105 LYS HA H 105 5.188 4.805 0.383 1
1 1252 . 19 1 1 A 105 105 LYS C C 105 175.389 175.520 -0.131 1
1 1261 . 19 1 1 A 106 106 VAL N N 106 121.400 123.278 -1.878 1
1 1262 . 19 1 1 A 106 106 VAL CA C 106 58.522 59.224 -0.702 1
1 1263 . 19 1 1 A 106 106 VAL CB C 106 34.050 35.009 -0.959 1
1 1266 . 19 1 1 A 106 106 VAL C C 106 173.300 173.835 -0.535 1
1 1267 . 19 1 1 A 106 106 VAL H H 106 9.276 8.757 0.519 1
1 1268 . 19 1 1 A 106 106 VAL HA H 106 4.430 4.656 -0.226 1
1 1276 . 19 1 1 A 107 107 PRO CA C 107 62.265 63.092 -0.827 1
1 1277 . 19 1 1 A 107 107 PRO CB C 107 31.157 31.961 -0.804 1
1 1280 . 19 1 1 A 107 107 PRO C C 107 178.967 178.272 0.695 1
1 1281 . 19 1 1 A 107 107 PRO HA H 107 4.703 4.511 0.192 1
1 1288 . 19 1 1 A 108 108 MET N N 108 126.300 124.749 1.551 1
1 1289 . 19 1 1 A 108 108 MET CA C 108 56.728 57.695 -0.967 1
1 1290 . 19 1 1 A 108 108 MET CB C 108 32.909 32.319 0.590 1
1 1292 . 19 1 1 A 108 108 MET C C 108 176.858 178.384 -1.526 1
1 1293 . 19 1 1 A 108 108 MET H H 108 8.716 8.434 0.282 1
1 1294 . 19 1 1 A 108 108 MET HA H 108 4.483 4.348 0.135 1
1 1299 . 19 1 1 A 109 109 ASN N N 109 115.600 116.604 -1.004 1
1 1300 . 19 1 1 A 109 109 ASN CA C 109 53.983 55.688 -1.705 1
1 1301 . 19 1 1 A 109 109 ASN CB C 109 36.227 37.215 -0.988 1
1 1302 . 19 1 1 A 109 109 ASN C C 109 175.789 176.935 -1.146 1
1 1303 . 19 1 1 A 109 109 ASN H H 109 8.342 8.852 -0.510 1
1 1304 . 19 1 1 A 109 109 ASN HA H 109 4.564 4.476 0.088 1
1 1310 . 19 1 1 A 110 110 THR N N 110 107.600 108.694 -1.094 1
1 1311 . 19 1 1 A 110 110 THR CA C 110 61.115 62.498 -1.383 1
1 1312 . 19 1 1 A 110 110 THR CB C 110 62.929 69.541 -6.612 1
1 1314 . 19 1 1 A 110 110 THR C C 110 173.508 174.487 -0.979 1
1 1315 . 19 1 1 A 110 110 THR H H 110 7.522 7.668 -0.146 1
1 1316 . 19 1 1 A 110 110 THR HA H 110 4.461 4.310 0.151 1
1 1319 . 19 1 1 A 111 111 VAL N N 111 123.700 124.466 -0.766 1
1 1320 . 19 1 1 A 111 111 VAL CA C 111 61.782 62.092 -0.310 1
1 1321 . 19 1 1 A 111 111 VAL CB C 111 32.821 32.186 0.635 1
1 1324 . 19 1 1 A 111 111 VAL C C 111 173.903 174.634 -0.731 1
1 1325 . 19 1 1 A 111 111 VAL H H 111 6.960 7.442 -0.482 1
1 1326 . 19 1 1 A 111 111 VAL HA H 111 3.703 4.171 -0.468 1
1 1334 . 19 1 1 A 112 112 ASP N N 112 125.800 128.273 -2.473 1
1 1335 . 19 1 1 A 112 112 ASP CA C 112 51.777 53.135 -1.358 1
1 1336 . 19 1 1 A 112 112 ASP CB C 112 40.648 40.717 -0.069 1
1 1337 . 19 1 1 A 112 112 ASP C C 112 175.407 174.908 0.499 1
1 1338 . 19 1 1 A 112 112 ASP H H 112 8.341 8.925 -0.584 1
1 1339 . 19 1 1 A 112 112 ASP HA H 112 4.719 4.806 -0.087 1
1 1342 . 19 1 1 A 113 113 PHE N N 113 122.700 125.281 -2.581 1
1 1343 . 19 1 1 A 113 113 PHE CA C 113 59.887 55.878 4.009 1
1 1344 . 19 1 1 A 113 113 PHE CB C 113 37.999 36.773 1.226 1
1 1345 . 19 1 1 A 113 113 PHE C C 113 175.854 176.276 -0.422 1
1 1346 . 19 1 1 A 113 113 PHE H H 113 8.391 8.811 -0.420 1
1 1347 . 19 1 1 A 113 113 PHE HA H 113 4.670 4.644 0.026 1
1 1350 . 19 1 1 A 114 114 GLY N N 114 108.608 109.459 -0.851 1
1 1351 . 19 1 1 A 114 114 GLY CA C 114 45.657 47.203 -1.546 1
1 1352 . 19 1 1 A 114 114 GLY C C 114 172.963 175.521 -2.558 1
1 1353 . 19 1 1 A 114 114 GLY H H 114 8.953 8.490 0.463 1
1 1354 . 19 1 1 A 114 114 GLY HA3 H 114 4.018 3.582 0.436 1
1 1355 . 19 1 1 A 114 114 GLY HA2 H 114 3.912 3.478 0.434 1
1 1356 . 19 1 1 A 115 115 HIS N N 115 114.926 118.738 -3.812 1
1 1357 . 19 1 1 A 115 115 HIS CA C 115 53.533 56.206 -2.673 1
1 1358 . 19 1 1 A 115 115 HIS CB C 115 30.349 31.070 -0.721 1
1 1359 . 19 1 1 A 115 115 HIS C C 115 172.453 174.729 -2.276 1
1 1360 . 19 1 1 A 115 115 HIS H H 115 7.510 8.030 -0.520 1
1 1361 . 19 1 1 A 115 115 HIS HA H 115 4.868 5.072 -0.204 1
1 1364 . 19 1 1 A 116 116 VAL N N 116 122.100 115.131 6.969 1
1 1365 . 19 1 1 A 116 116 VAL CA C 116 62.992 60.451 2.541 1
1 1366 . 19 1 1 A 116 116 VAL CB C 116 31.850 34.260 -2.410 1
1 1369 . 19 1 1 A 116 116 VAL C C 116 176.352 174.447 1.905 1
1 1370 . 19 1 1 A 116 116 VAL H H 116 8.460 8.117 0.343 1
1 1371 . 19 1 1 A 116 116 VAL HA H 116 4.268 4.728 -0.460 1
1 1379 . 19 1 1 A 117 117 THR N N 117 124.700 122.261 2.439 1
1 1380 . 19 1 1 A 117 117 THR CA C 117 61.694 61.956 -0.262 1
1 1381 . 19 1 1 A 117 117 THR CB C 117 70.001 68.110 1.891 1
1 1383 . 19 1 1 A 117 117 THR C C 117 172.762 173.813 -1.051 1
1 1384 . 19 1 1 A 117 117 THR H H 117 8.550 9.803 -1.253 1
1 1385 . 19 1 1 A 117 117 THR HA H 117 4.460 4.549 -0.089 1
1 1388 . 19 1 1 A 118 118 GLU N N 118 126.000 126.530 -0.530 1
1 1389 . 19 1 1 A 118 118 GLU CA C 118 55.038 55.248 -0.210 1
1 1390 . 19 1 1 A 118 118 GLU CB C 118 30.835 31.017 -0.182 1
1 1392 . 19 1 1 A 118 118 GLU C C 118 174.419 175.124 -0.705 1
1 1393 . 19 1 1 A 118 118 GLU H H 118 8.382 9.011 -0.629 1
1 1394 . 19 1 1 A 118 118 GLU HA H 118 4.776 5.056 -0.280 1
1 1399 . 19 1 1 A 119 119 GLU N N 119 123.000 121.010 1.990 1
1 1400 . 19 1 1 A 119 119 GLU CA C 119 54.292 54.587 -0.295 1
1 1401 . 19 1 1 A 119 119 GLU CB C 119 32.909 33.251 -0.342 1
1 1403 . 19 1 1 A 119 119 GLU C C 119 173.072 174.255 -1.183 1
1 1404 . 19 1 1 A 119 119 GLU H H 119 8.057 8.943 -0.886 1
1 1405 . 19 1 1 A 119 119 GLU HA H 119 4.631 4.206 0.425 1
1 1410 . 19 1 1 A 120 120 TRP N N 120 118.300 121.810 -3.510 1
1 1411 . 19 1 1 A 120 120 TRP C C 120 177.336 175.058 2.278 1
1 1412 . 19 1 1 A 120 120 TRP CA C 120 55.672 56.572 -0.900 1
1 1413 . 19 1 1 A 120 120 TRP CB C 120 31.259 29.416 1.843 1
1 1414 . 19 1 1 A 120 120 TRP H H 120 8.212 8.182 0.030 1
1 1415 . 19 1 1 A 120 120 TRP HA H 120 5.322 4.863 0.459 1
1 1424 . 19 1 1 A 121 121 ARG N N 121 120.900 126.026 -5.126 1
1 1425 . 19 1 1 A 121 121 ARG CA C 121 53.631 53.529 0.102 1
1 1426 . 19 1 1 A 121 121 ARG CB C 121 32.865 32.596 0.269 1
1 1429 . 19 1 1 A 121 121 ARG C C 121 174.321 174.992 -0.671 1
1 1430 . 19 1 1 A 121 121 ARG H H 121 9.012 8.546 0.466 1
1 1431 . 19 1 1 A 121 121 ARG HA H 121 4.488 4.701 -0.213 1
1 1438 . 19 1 1 A 122 122 ASP N N 122 121.600 123.701 -2.101 1
1 1439 . 19 1 1 A 122 122 ASP CA C 122 53.795 53.135 0.660 1
1 1440 . 19 1 1 A 122 122 ASP CB C 122 40.544 42.020 -1.476 1
1 1441 . 19 1 1 A 122 122 ASP C C 122 176.041 175.881 0.160 1
1 1442 . 19 1 1 A 122 122 ASP H H 122 8.226 8.694 -0.468 1
1 1443 . 19 1 1 A 122 122 ASP HA H 122 4.791 5.228 -0.437 1
1 1446 . 19 1 1 A 123 123 LEU N N 123 120.700 124.998 -4.298 1
1 1447 . 19 1 1 A 123 123 LEU CA C 123 54.997 54.763 0.234 1
1 1448 . 19 1 1 A 123 123 LEU CB C 123 41.765 41.771 -0.006 1
1 1452 . 19 1 1 A 123 123 LEU C C 123 175.964 176.490 -0.526 1
1 1453 . 19 1 1 A 123 123 LEU H H 123 8.436 8.604 -0.168 1
1 1454 . 19 1 1 A 123 123 LEU HA H 123 4.125 4.683 -0.558 1
1 1464 . 19 1 1 A 124 124 GLN N N 124 119.200 123.999 -4.799 1
1 1466 . 19 1 1 A 124 124 GLN CA C 124 53.278 54.818 -1.540 1
1 1467 . 19 1 1 A 124 124 GLN CB C 124 31.232 30.999 0.233 1
1 1469 . 19 1 1 A 124 124 GLN C C 124 175.183 175.496 -0.313 1
1 1470 . 19 1 1 A 124 124 GLN H H 124 9.020 8.636 0.384 1
1 1471 . 19 1 1 A 124 124 GLN HA H 124 4.738 4.970 -0.232 1
1 1478 . 19 1 1 A 125 125 SER N N 125 115.300 119.304 -4.004 1
1 1479 . 19 1 1 A 125 125 SER H H 125 8.543 8.686 -0.143 1
1 1480 . 19 1 1 A 125 125 SER CA C 125 58.477 59.927 -1.450 1
1 1481 . 19 1 1 A 125 125 SER CB C 125 63.274 63.213 0.061 1
1 1482 . 19 1 1 A 125 125 SER C C 125 174.609 174.276 0.333 1
1 1483 . 19 1 1 A 125 125 SER HA H 125 4.235 4.630 -0.395 1
1 1486 . 19 1 1 A 126 126 ALA N N 126 126.900 129.085 -2.185 1
1 1487 . 19 1 1 A 126 126 ALA CA C 126 51.636 50.464 1.172 1
1 1488 . 19 1 1 A 126 126 ALA CB C 126 19.845 21.120 -1.275 1
1 1489 . 19 1 1 A 126 126 ALA C C 126 176.876 176.757 0.119 1
1 1490 . 19 1 1 A 126 126 ALA H H 126 8.640 8.901 -0.261 1
1 1491 . 19 1 1 A 126 126 ALA HA H 126 4.216 5.208 -0.992 1
1 1495 . 19 1 1 A 127 127 GLU N N 127 120.600 122.385 -1.785 1
1 1496 . 19 1 1 A 127 127 GLU CA C 127 56.142 55.285 0.857 1
1 1497 . 19 1 1 A 127 127 GLU CB C 127 29.996 29.373 0.623 1
1 1499 . 19 1 1 A 127 127 GLU C C 127 175.129 175.538 -0.409 1
1 1500 . 19 1 1 A 127 127 GLU H H 127 8.204 8.773 -0.569 1
1 1501 . 19 1 1 A 127 127 GLU HA H 127 4.176 4.568 -0.392 1
1 12 . 20 1 1 A 2 2 LYS N N 2 123.200 124.872 -1.672 1
1 13 . 20 1 1 A 2 2 LYS CA C 2 55.550 54.623 0.927 1
1 14 . 20 1 1 A 2 2 LYS CB C 2 31.730 31.942 -0.212 1
1 18 . 20 1 1 A 2 2 LYS H H 2 8.320 8.622 -0.302 1
1 19 . 20 1 1 A 2 2 LYS C C 2 176.041 176.767 -0.726 1
1 20 . 20 1 1 A 2 2 LYS HA H 2 4.413 4.573 -0.160 1
1 29 . 20 1 1 A 3 3 LEU N N 3 124.700 121.967 2.733 1
1 30 . 20 1 1 A 3 3 LEU CA C 3 53.800 55.124 -1.324 1
1 31 . 20 1 1 A 3 3 LEU CB C 3 43.351 43.420 -0.069 1
1 35 . 20 1 1 A 3 3 LEU C C 3 173.289 176.558 -3.269 1
1 36 . 20 1 1 A 3 3 LEU H H 3 8.319 8.650 -0.331 1
1 37 . 20 1 1 A 3 3 LEU HA H 3 4.363 4.466 -0.103 1
1 47 . 20 1 1 A 4 4 GLY N N 4 102.100 108.342 -6.242 1
1 48 . 20 1 1 A 4 4 GLY CA C 4 44.232 44.730 -0.498 1
1 49 . 20 1 1 A 4 4 GLY C C 4 174.476 172.962 1.514 1
1 50 . 20 1 1 A 4 4 GLY H H 4 7.412 7.822 -0.410 1
1 51 . 20 1 1 A 4 4 GLY HA3 H 4 4.367 4.016 0.351 1
1 52 . 20 1 1 A 4 4 GLY HA2 H 4 3.662 4.010 -0.348 1
1 53 . 20 1 1 A 5 5 LYS N N 5 114.993 119.627 -4.634 1
1 54 . 20 1 1 A 5 5 LYS CA C 5 54.807 54.341 0.466 1
1 55 . 20 1 1 A 5 5 LYS CB C 5 36.664 36.851 -0.187 1
1 59 . 20 1 1 A 5 5 LYS C C 5 173.762 174.735 -0.973 1
1 60 . 20 1 1 A 5 5 LYS H H 5 8.748 8.369 0.379 1
1 61 . 20 1 1 A 5 5 LYS HA H 5 5.333 5.092 0.241 1
1 70 . 20 1 1 A 6 6 LEU N N 6 122.195 123.819 -1.624 1
1 71 . 20 1 1 A 6 6 LEU CA C 6 53.760 54.312 -0.552 1
1 72 . 20 1 1 A 6 6 LEU CB C 6 47.948 44.455 3.493 1
1 76 . 20 1 1 A 6 6 LEU C C 6 172.524 174.718 -2.194 1
1 77 . 20 1 1 A 6 6 LEU H H 6 9.058 8.619 0.439 1
1 78 . 20 1 1 A 6 6 LEU HA H 6 5.312 5.631 -0.319 1
1 88 . 20 1 1 A 7 7 GLN N N 7 127.800 124.257 3.543 1
1 90 . 20 1 1 A 7 7 GLN CA C 7 52.595 54.821 -2.226 1
1 91 . 20 1 1 A 7 7 GLN CB C 7 28.032 30.604 -2.572 1
1 93 . 20 1 1 A 7 7 GLN C C 7 173.707 174.174 -0.467 1
1 94 . 20 1 1 A 7 7 GLN H H 7 8.945 8.431 0.514 1
1 95 . 20 1 1 A 7 7 GLN HA H 7 5.170 5.481 -0.311 1
1 102 . 20 1 1 A 8 8 TYR N N 8 125.700 123.405 2.295 1
1 103 . 20 1 1 A 8 8 TYR CA C 8 54.578 57.166 -2.588 1
1 104 . 20 1 1 A 8 8 TYR CB C 8 42.236 40.458 1.778 1
1 105 . 20 1 1 A 8 8 TYR C C 8 171.582 174.015 -2.433 1
1 106 . 20 1 1 A 8 8 TYR H H 8 8.445 9.725 -1.280 1
1 107 . 20 1 1 A 8 8 TYR HA H 8 5.401 4.828 0.573 1
1 110 . 20 1 1 A 9 9 SER N N 9 113.300 115.260 -1.960 1
1 111 . 20 1 1 A 9 9 SER H H 9 9.486 8.341 1.145 1
1 112 . 20 1 1 A 9 9 SER CA C 9 55.195 56.471 -1.276 1
1 113 . 20 1 1 A 9 9 SER CB C 9 67.116 65.301 1.815 1
1 114 . 20 1 1 A 9 9 SER C C 9 173.486 173.130 0.356 1
1 115 . 20 1 1 A 9 9 SER HA H 9 5.400 6.123 -0.723 1
1 118 . 20 1 1 A 10 10 LEU N N 10 120.700 126.991 -6.291 1
1 119 . 20 1 1 A 10 10 LEU CA C 10 53.388 53.526 -0.138 1
1 120 . 20 1 1 A 10 10 LEU CB C 10 46.946 45.432 1.514 1
1 121 . 20 1 1 A 10 10 LEU C C 10 174.640 175.295 -0.655 1
1 125 . 20 1 1 A 10 10 LEU H H 10 8.698 9.339 -0.641 1
1 126 . 20 1 1 A 10 10 LEU HA H 10 5.471 5.252 0.219 1
1 136 . 20 1 1 A 11 11 ASP N N 11 119.760 123.269 -3.509 1
1 137 . 20 1 1 A 11 11 ASP CA C 11 52.525 52.515 0.010 1
1 138 . 20 1 1 A 11 11 ASP CB C 11 44.683 45.055 -0.372 1
1 139 . 20 1 1 A 11 11 ASP C C 11 173.093 173.866 -0.773 1
1 140 . 20 1 1 A 11 11 ASP H H 11 8.673 9.391 -0.718 1
1 141 . 20 1 1 A 11 11 ASP HA H 11 5.126 5.917 -0.791 1
1 144 . 20 1 1 A 12 12 TYR N N 12 124.200 122.311 1.889 1
1 145 . 20 1 1 A 12 12 TYR CA C 12 57.883 57.612 0.271 1
1 146 . 20 1 1 A 12 12 TYR CB C 12 40.054 41.814 -1.760 1
1 147 . 20 1 1 A 12 12 TYR C C 12 171.962 172.913 -0.951 1
1 148 . 20 1 1 A 12 12 TYR H H 12 8.898 8.862 0.036 1
1 149 . 20 1 1 A 12 12 TYR HA H 12 4.609 5.128 -0.519 1
1 154 . 20 1 1 A 13 13 ASP N N 13 126.400 129.092 -2.692 1
1 155 . 20 1 1 A 13 13 ASP CA C 13 51.141 52.339 -1.198 1
1 156 . 20 1 1 A 13 13 ASP CB C 13 40.891 41.221 -0.330 1
1 157 . 20 1 1 A 13 13 ASP C C 13 175.599 176.201 -0.602 1
1 158 . 20 1 1 A 13 13 ASP H H 13 8.018 8.646 -0.628 1
1 159 . 20 1 1 A 13 13 ASP HA H 13 4.591 4.501 0.090 1
1 162 . 20 1 1 A 14 14 PHE N N 14 123.575 124.048 -0.473 1
1 163 . 20 1 1 A 14 14 PHE CA C 14 60.734 58.092 2.642 1
1 164 . 20 1 1 A 14 14 PHE CB C 14 38.821 38.363 0.458 1
1 165 . 20 1 1 A 14 14 PHE C C 14 176.704 175.948 0.756 1
1 166 . 20 1 1 A 14 14 PHE H H 14 8.540 7.566 0.974 1
1 167 . 20 1 1 A 14 14 PHE HA H 14 4.187 3.836 0.351 1
1 170 . 20 1 1 A 15 15 GLN N N 15 118.500 117.055 1.445 1
1 172 . 20 1 1 A 15 15 GLN CA C 15 57.927 55.852 2.075 1
1 173 . 20 1 1 A 15 15 GLN CB C 15 28.129 27.724 0.405 1
1 175 . 20 1 1 A 15 15 GLN C C 15 176.646 176.588 0.058 1
1 176 . 20 1 1 A 15 15 GLN H H 15 8.307 7.226 1.081 1
1 177 . 20 1 1 A 15 15 GLN HA H 15 4.150 4.178 -0.028 1
1 184 . 20 1 1 A 16 16 ASN N N 16 113.392 116.832 -3.440 1
1 185 . 20 1 1 A 16 16 ASN CA C 16 52.051 51.799 0.252 1
1 186 . 20 1 1 A 16 16 ASN CB C 16 39.238 37.922 1.316 1
1 187 . 20 1 1 A 16 16 ASN C C 16 173.191 175.520 -2.329 1
1 188 . 20 1 1 A 16 16 ASN H H 16 7.347 7.565 -0.218 1
1 189 . 20 1 1 A 16 16 ASN HA H 16 4.682 4.661 0.021 1
1 195 . 20 1 1 A 17 17 ASN N N 17 118.200 116.503 1.697 1
1 196 . 20 1 1 A 17 17 ASN CA C 17 54.524 54.008 0.516 1
1 197 . 20 1 1 A 17 17 ASN CB C 17 36.825 37.211 -0.386 1
1 198 . 20 1 1 A 17 17 ASN C C 17 175.797 174.070 1.727 1
1 199 . 20 1 1 A 17 17 ASN H H 17 7.682 7.987 -0.305 1
1 200 . 20 1 1 A 17 17 ASN HA H 17 4.300 4.405 -0.105 1
1 206 . 20 1 1 A 18 18 GLN N N 18 110.518 114.775 -4.257 1
1 208 . 20 1 1 A 18 18 GLN CA C 18 52.888 53.996 -1.108 1
1 209 . 20 1 1 A 18 18 GLN CB C 18 31.353 31.708 -0.355 1
1 211 . 20 1 1 A 18 18 GLN C C 18 171.717 174.311 -2.594 1
1 212 . 20 1 1 A 18 18 GLN H H 18 6.757 7.678 -0.921 1
1 213 . 20 1 1 A 18 18 GLN HA H 18 4.911 5.079 -0.168 1
1 220 . 20 1 1 A 19 19 LEU N N 19 124.400 124.229 0.171 1
1 221 . 20 1 1 A 19 19 LEU CA C 19 53.873 54.539 -0.666 1
1 222 . 20 1 1 A 19 19 LEU CB C 19 44.558 42.299 2.259 1
1 226 . 20 1 1 A 19 19 LEU C C 19 173.731 176.122 -2.391 1
1 227 . 20 1 1 A 19 19 LEU H H 19 9.048 8.191 0.857 1
1 228 . 20 1 1 A 19 19 LEU HA H 19 4.543 4.490 0.053 1
1 238 . 20 1 1 A 20 20 LEU N N 20 128.415 124.181 4.234 1
1 239 . 20 1 1 A 20 20 LEU CA C 20 53.695 53.486 0.209 1
1 240 . 20 1 1 A 20 20 LEU CB C 20 41.956 45.492 -3.536 1
1 244 . 20 1 1 A 20 20 LEU C C 20 175.696 174.798 0.898 1
1 245 . 20 1 1 A 20 20 LEU H H 20 9.021 9.246 -0.225 1
1 246 . 20 1 1 A 20 20 LEU HA H 20 4.852 5.144 -0.292 1
1 256 . 20 1 1 A 21 21 VAL N N 21 125.838 127.246 -1.408 1
1 257 . 20 1 1 A 21 21 VAL CA C 21 60.511 61.268 -0.757 1
1 258 . 20 1 1 A 21 21 VAL CB C 21 45.331 33.435 11.896 1
1 260 . 20 1 1 A 21 21 VAL C C 21 173.979 174.954 -0.975 1
1 261 . 20 1 1 A 21 21 VAL H H 21 9.073 9.263 -0.190 1
1 262 . 20 1 1 A 21 21 VAL HA H 21 4.853 4.692 0.161 1
1 270 . 20 1 1 A 22 22 GLY N N 22 117.254 114.055 3.199 1
1 271 . 20 1 1 A 22 22 GLY CA C 22 43.843 45.420 -1.577 1
1 272 . 20 1 1 A 22 22 GLY C C 22 172.485 174.586 -2.101 1
1 273 . 20 1 1 A 22 22 GLY H H 22 9.486 9.087 0.399 1
1 274 . 20 1 1 A 22 22 GLY HA3 H 22 4.653 4.243 0.410 1
1 275 . 20 1 1 A 22 22 GLY HA2 H 22 3.520 4.187 -0.667 1
1 276 . 20 1 1 A 23 23 ILE N N 23 125.106 122.927 2.179 1
1 277 . 20 1 1 A 23 23 ILE CA C 23 58.182 59.846 -1.664 1
1 278 . 20 1 1 A 23 23 ILE CB C 23 35.290 38.437 -3.147 1
1 282 . 20 1 1 A 23 23 ILE C C 23 174.346 176.192 -1.846 1
1 283 . 20 1 1 A 23 23 ILE H H 23 8.831 8.815 0.016 1
1 284 . 20 1 1 A 23 23 ILE HA H 23 4.330 4.904 -0.574 1
1 294 . 20 1 1 A 24 24 ILE N N 24 126.735 120.678 6.057 1
1 295 . 20 1 1 A 24 24 ILE CA C 24 65.005 62.781 2.224 1
1 296 . 20 1 1 A 24 24 ILE CB C 24 37.790 38.515 -0.725 1
1 300 . 20 1 1 A 24 24 ILE C C 24 177.149 176.140 1.009 1
1 301 . 20 1 1 A 24 24 ILE H H 24 8.365 8.494 -0.129 1
1 302 . 20 1 1 A 24 24 ILE HA H 24 3.903 4.111 -0.208 1
1 312 . 20 1 1 A 25 25 GLN N N 25 110.662 114.442 -3.780 1
1 314 . 20 1 1 A 25 25 GLN CA C 25 54.295 54.559 -0.264 1
1 315 . 20 1 1 A 25 25 GLN CB C 25 30.953 32.203 -1.250 1
1 317 . 20 1 1 A 25 25 GLN C C 25 171.152 173.159 -2.007 1
1 318 . 20 1 1 A 25 25 GLN H H 25 7.706 7.698 0.008 1
1 319 . 20 1 1 A 25 25 GLN HA H 25 5.123 4.794 0.329 1
1 325 . 20 1 1 A 26 26 ALA N N 26 121.300 122.956 -1.656 1
1 326 . 20 1 1 A 26 26 ALA CA C 26 49.951 50.066 -0.115 1
1 327 . 20 1 1 A 26 26 ALA CB C 26 22.406 22.495 -0.089 1
1 328 . 20 1 1 A 26 26 ALA C C 26 171.937 175.702 -3.765 1
1 329 . 20 1 1 A 26 26 ALA H H 26 9.195 8.718 0.477 1
1 330 . 20 1 1 A 26 26 ALA HA H 26 5.740 6.003 -0.263 1
1 334 . 20 1 1 A 27 27 ALA N N 27 120.100 121.971 -1.871 1
1 335 . 20 1 1 A 27 27 ALA CA C 27 50.524 50.519 0.005 1
1 336 . 20 1 1 A 27 27 ALA CB C 27 24.047 21.037 3.010 1
1 337 . 20 1 1 A 27 27 ALA C C 27 174.984 176.926 -1.942 1
1 338 . 20 1 1 A 27 27 ALA H H 27 9.118 8.473 0.645 1
1 339 . 20 1 1 A 27 27 ALA HA H 27 5.353 4.821 0.532 1
1 343 . 20 1 1 A 28 28 GLU N N 28 112.600 120.220 -7.620 1
1 344 . 20 1 1 A 28 28 GLU CA C 28 56.032 57.179 -1.147 1
1 345 . 20 1 1 A 28 28 GLU CB C 28 25.966 27.423 -1.457 1
1 347 . 20 1 1 A 28 28 GLU C C 28 174.427 175.649 -1.222 1
1 348 . 20 1 1 A 28 28 GLU H H 28 8.453 8.752 -0.299 1
1 349 . 20 1 1 A 28 28 GLU HA H 28 3.648 3.791 -0.143 1
1 354 . 20 1 1 A 29 29 LEU N N 29 116.093 120.767 -4.674 1
1 355 . 20 1 1 A 29 29 LEU CA C 29 53.295 52.815 0.480 1
1 356 . 20 1 1 A 29 29 LEU CB C 29 39.640 41.096 -1.456 1
1 360 . 20 1 1 A 29 29 LEU C C 29 173.800 174.439 -0.639 1
1 361 . 20 1 1 A 29 29 LEU H H 29 7.951 8.324 -0.373 1
1 362 . 20 1 1 A 29 29 LEU HA H 29 4.330 4.558 -0.228 1
1 372 . 20 1 1 A 30 30 PRO CA C 30 61.760 62.669 -0.909 1
1 373 . 20 1 1 A 30 30 PRO CB C 30 31.492 31.890 -0.398 1
1 376 . 20 1 1 A 30 30 PRO C C 30 175.525 176.308 -0.783 1
1 377 . 20 1 1 A 30 30 PRO HA H 30 4.327 4.444 -0.117 1
1 383 . 20 1 1 A 31 31 ALA N N 31 122.487 124.334 -1.847 1
1 384 . 20 1 1 A 31 31 ALA CA C 31 50.604 51.531 -0.927 1
1 385 . 20 1 1 A 31 31 ALA CB C 31 18.576 19.892 -1.316 1
1 386 . 20 1 1 A 31 31 ALA C C 31 177.222 177.415 -0.193 1
1 387 . 20 1 1 A 31 31 ALA H H 31 8.128 8.338 -0.210 1
1 388 . 20 1 1 A 31 31 ALA HA H 31 4.130 4.539 -0.409 1
1 392 . 20 1 1 A 32 32 LEU N N 32 124.400 124.391 0.009 1
1 393 . 20 1 1 A 32 32 LEU CA C 32 55.041 53.661 1.380 1
1 394 . 20 1 1 A 32 32 LEU CB C 32 42.916 41.609 1.307 1
1 398 . 20 1 1 A 32 32 LEU C C 32 176.852 174.853 1.999 1
1 399 . 20 1 1 A 32 32 LEU H H 32 8.035 8.550 -0.515 1
1 400 . 20 1 1 A 32 32 LEU HA H 32 4.240 4.580 -0.340 1
1 410 . 20 1 1 A 33 33 ASP N N 33 119.800 119.732 0.068 1
1 411 . 20 1 1 A 33 33 ASP CA C 33 52.948 53.031 -0.083 1
1 412 . 20 1 1 A 33 33 ASP CB C 33 41.578 44.811 -3.233 1
1 413 . 20 1 1 A 33 33 ASP C C 33 176.200 174.381 1.819 1
1 414 . 20 1 1 A 33 33 ASP H H 33 8.400 7.096 1.304 1
1 415 . 20 1 1 A 33 33 ASP HA H 33 4.785 5.076 -0.291 1
1 418 . 20 1 1 A 34 34 MET N N 34 120.000 121.311 -1.311 1
1 419 . 20 1 1 A 34 34 MET CA C 34 56.561 54.834 1.727 1
1 420 . 20 1 1 A 34 34 MET CB C 34 31.288 30.729 0.559 1
1 422 . 20 1 1 A 34 34 MET C C 34 176.483 176.290 0.193 1
1 423 . 20 1 1 A 34 34 MET H H 34 8.492 8.440 0.052 1
1 424 . 20 1 1 A 34 34 MET HA H 34 4.213 4.601 -0.388 1
1 429 . 20 1 1 A 35 35 GLY N N 35 110.400 111.911 -1.511 1
1 430 . 20 1 1 A 35 35 GLY CA C 35 44.884 45.535 -0.651 1
1 431 . 20 1 1 A 35 35 GLY C C 35 174.831 175.158 -0.327 1
1 432 . 20 1 1 A 35 35 GLY H H 35 8.668 8.216 0.452 1
1 433 . 20 1 1 A 35 35 GLY HA3 H 35 4.039 4.052 -0.013 1
1 434 . 20 1 1 A 35 35 GLY HA2 H 35 3.818 4.052 -0.234 1
1 435 . 20 1 1 A 36 36 GLY N N 36 107.400 109.625 -2.225 1
1 436 . 20 1 1 A 36 36 GLY CA C 36 45.427 46.653 -1.226 1
1 437 . 20 1 1 A 36 36 GLY C C 36 173.194 173.574 -0.380 1
1 438 . 20 1 1 A 36 36 GLY H H 36 8.008 8.068 -0.060 1
1 439 . 20 1 1 A 36 36 GLY HA3 H 36 4.000 3.928 0.072 1
1 440 . 20 1 1 A 36 36 GLY HA2 H 36 3.861 3.926 -0.065 1
1 441 . 20 1 1 A 37 37 THR N N 37 111.100 110.177 0.923 1
1 442 . 20 1 1 A 37 37 THR CA C 37 59.954 59.684 0.270 1
1 443 . 20 1 1 A 37 37 THR CB C 37 70.589 72.696 -2.107 1
1 445 . 20 1 1 A 37 37 THR C C 37 171.355 172.689 -1.334 1
1 446 . 20 1 1 A 37 37 THR H H 37 7.476 7.515 -0.039 1
1 447 . 20 1 1 A 37 37 THR HA H 37 4.511 5.033 -0.522 1
1 450 . 20 1 1 A 38 38 SER N N 38 115.811 116.466 -0.655 1
1 451 . 20 1 1 A 38 38 SER CA C 38 57.664 56.378 1.286 1
1 452 . 20 1 1 A 38 38 SER CB C 38 70.510 66.422 4.088 1
1 453 . 20 1 1 A 38 38 SER C C 38 170.198 172.742 -2.544 1
1 454 . 20 1 1 A 38 38 SER H H 38 7.257 9.096 -1.839 1
1 455 . 20 1 1 A 38 38 SER HA H 38 4.707 5.750 -1.043 1
1 458 . 20 1 1 A 39 39 ASP N N 39 121.288 123.826 -2.538 1
1 459 . 20 1 1 A 39 39 ASP CA C 39 51.058 51.680 -0.622 1
1 460 . 20 1 1 A 39 39 ASP CB C 39 42.210 41.874 0.336 1
1 461 . 20 1 1 A 39 39 ASP C C 39 172.500 173.535 -1.035 1
1 462 . 20 1 1 A 39 39 ASP H H 39 8.698 8.980 -0.282 1
1 463 . 20 1 1 A 39 39 ASP HA H 39 5.940 6.117 -0.177 1
1 466 . 20 1 1 A 40 40 PRO CA C 40 62.440 62.902 -0.462 1
1 467 . 20 1 1 A 40 40 PRO CB C 40 34.370 33.026 1.344 1
1 470 . 20 1 1 A 40 40 PRO C C 40 176.317 176.261 0.056 1
1 471 . 20 1 1 A 40 40 PRO HA H 40 5.826 5.004 0.822 1
1 478 . 20 1 1 A 41 41 TYR N N 41 113.769 118.159 -4.390 1
1 479 . 20 1 1 A 41 41 TYR CA C 41 56.150 56.845 -0.695 1
1 480 . 20 1 1 A 41 41 TYR CB C 41 40.246 40.805 -0.559 1
1 481 . 20 1 1 A 41 41 TYR C C 41 171.425 173.336 -1.911 1
1 482 . 20 1 1 A 41 41 TYR H H 41 8.703 8.836 -0.133 1
1 483 . 20 1 1 A 41 41 TYR HA H 41 4.795 5.223 -0.428 1
1 487 . 20 1 1 A 42 42 VAL N N 42 119.919 119.667 0.252 1
1 488 . 20 1 1 A 42 42 VAL CA C 42 60.064 61.156 -1.092 1
1 489 . 20 1 1 A 42 42 VAL CB C 42 33.816 33.011 0.805 1
1 492 . 20 1 1 A 42 42 VAL C C 42 174.456 175.569 -1.113 1
1 493 . 20 1 1 A 42 42 VAL HA H 42 5.020 4.738 0.282 1
1 501 . 20 1 1 A 43 43 LYS N N 43 125.776 127.272 -1.496 1
1 502 . 20 1 1 A 43 43 LYS CA C 43 54.601 56.268 -1.667 1
1 503 . 20 1 1 A 43 43 LYS CB C 43 36.096 33.063 3.033 1
1 507 . 20 1 1 A 43 43 LYS C C 43 174.518 175.934 -1.416 1
1 508 . 20 1 1 A 43 43 LYS H H 43 9.415 9.678 -0.263 1
1 509 . 20 1 1 A 43 43 LYS HA H 43 5.374 4.912 0.462 1
1 518 . 20 1 1 A 44 44 VAL N N 44 121.484 125.129 -3.645 1
1 519 . 20 1 1 A 44 44 VAL CA C 44 59.365 61.360 -1.995 1
1 520 . 20 1 1 A 44 44 VAL CB C 44 34.818 33.319 1.499 1
1 523 . 20 1 1 A 44 44 VAL C C 44 173.928 175.408 -1.480 1
1 524 . 20 1 1 A 44 44 VAL H H 44 8.845 8.891 -0.046 1
1 525 . 20 1 1 A 44 44 VAL HA H 44 5.326 5.059 0.267 1
1 533 . 20 1 1 A 45 45 PHE N N 45 120.600 123.343 -2.743 1
1 534 . 20 1 1 A 45 45 PHE CA C 45 55.886 55.949 -0.063 1
1 535 . 20 1 1 A 45 45 PHE CB C 45 39.882 41.900 -2.018 1
1 536 . 20 1 1 A 45 45 PHE C C 45 171.102 172.527 -1.425 1
1 537 . 20 1 1 A 45 45 PHE H H 45 8.254 8.970 -0.716 1
1 538 . 20 1 1 A 45 45 PHE HA H 45 4.971 5.488 -0.517 1
1 541 . 20 1 1 A 46 46 LEU N N 46 121.444 120.294 1.150 1
1 542 . 20 1 1 A 46 46 LEU CA C 46 52.376 53.635 -1.259 1
1 543 . 20 1 1 A 46 46 LEU CB C 46 43.229 45.334 -2.105 1
1 547 . 20 1 1 A 46 46 LEU C C 46 176.176 175.278 0.898 1
1 548 . 20 1 1 A 46 46 LEU H H 46 9.137 9.098 0.039 1
1 549 . 20 1 1 A 46 46 LEU HA H 46 4.189 5.102 -0.913 1
1 559 . 20 1 1 A 47 47 LEU N N 47 123.900 123.161 0.739 1
1 560 . 20 1 1 A 47 47 LEU CA C 47 52.926 52.392 0.534 1
1 561 . 20 1 1 A 47 47 LEU CB C 47 41.010 43.563 -2.553 1
1 565 . 20 1 1 A 47 47 LEU C C 47 175.800 177.345 -1.545 1
1 566 . 20 1 1 A 47 47 LEU H H 47 8.945 8.312 0.633 1
1 567 . 20 1 1 A 47 47 LEU HA H 47 4.185 4.615 -0.430 1
1 577 . 20 1 1 A 48 48 PRO CA C 48 62.992 65.283 -2.291 1
1 578 . 20 1 1 A 48 48 PRO CB C 48 24.080 31.934 -7.854 1
1 581 . 20 1 1 A 48 48 PRO C C 48 176.188 177.658 -1.470 1
1 582 . 20 1 1 A 48 48 PRO HA H 48 4.474 4.329 0.145 1
1 588 . 20 1 1 A 49 49 ASP N N 49 113.800 116.837 -3.037 1
1 589 . 20 1 1 A 49 49 ASP CA C 49 55.199 56.927 -1.728 1
1 590 . 20 1 1 A 49 49 ASP CB C 49 40.158 41.283 -1.125 1
1 591 . 20 1 1 A 49 49 ASP C C 49 175.304 176.039 -0.735 1
1 592 . 20 1 1 A 49 49 ASP H H 49 8.467 9.425 -0.958 1
1 593 . 20 1 1 A 49 49 ASP HA H 49 4.576 4.489 0.087 1
1 596 . 20 1 1 A 50 50 LYS N N 50 120.081 118.910 1.171 1
1 597 . 20 1 1 A 50 50 LYS CA C 50 56.803 57.241 -0.438 1
1 598 . 20 1 1 A 50 50 LYS CB C 50 32.059 30.717 1.342 1
1 602 . 20 1 1 A 50 50 LYS H H 50 8.329 8.106 0.223 1
1 603 . 20 1 1 A 50 50 LYS HA H 50 3.949 4.089 -0.140 1
1 604 . 20 1 1 A 50 50 LYS C C 50 175.754 176.745 -0.991 1
1 613 . 20 1 1 A 51 51 LYS N N 51 117.896 117.779 0.117 1
1 614 . 20 1 1 A 51 51 LYS CA C 51 57.360 56.334 1.026 1
1 615 . 20 1 1 A 51 51 LYS CB C 51 32.230 32.529 -0.299 1
1 619 . 20 1 1 A 51 51 LYS H H 51 8.099 8.241 -0.142 1
1 620 . 20 1 1 A 51 51 LYS HA H 51 3.950 4.489 -0.539 1
1 621 . 20 1 1 A 51 51 LYS C C 51 176.619 175.485 1.134 1
1 630 . 20 1 1 A 52 52 LYS N N 52 120.200 120.598 -0.398 1
1 631 . 20 1 1 A 52 52 LYS CA C 52 54.688 55.603 -0.915 1
1 632 . 20 1 1 A 52 52 LYS CB C 52 31.829 34.524 -2.695 1
1 636 . 20 1 1 A 52 52 LYS H H 52 7.447 7.590 -0.143 1
1 637 . 20 1 1 A 52 52 LYS HA H 52 4.259 4.830 -0.571 1
1 638 . 20 1 1 A 52 52 LYS C C 52 173.420 174.877 -1.457 1
1 647 . 20 1 1 A 53 53 LYS N N 53 123.119 127.045 -3.926 1
1 648 . 20 1 1 A 53 53 LYS CA C 53 53.698 55.446 -1.748 1
1 649 . 20 1 1 A 53 53 LYS CB C 53 41.592 32.523 9.069 1
1 653 . 20 1 1 A 53 53 LYS H H 53 7.810 8.870 -1.060 1
1 654 . 20 1 1 A 53 53 LYS HA H 53 5.004 4.819 0.185 1
1 655 . 20 1 1 A 53 53 LYS C C 53 174.468 175.697 -1.229 1
1 664 . 20 1 1 A 54 54 PHE N N 54 120.200 123.759 -3.559 1
1 665 . 20 1 1 A 54 54 PHE CA C 54 56.583 56.539 0.044 1
1 666 . 20 1 1 A 54 54 PHE CB C 54 42.110 43.043 -0.933 1
1 667 . 20 1 1 A 54 54 PHE C C 54 173.801 174.624 -0.823 1
1 668 . 20 1 1 A 54 54 PHE H H 54 8.490 8.591 -0.101 1
1 669 . 20 1 1 A 54 54 PHE HA H 54 4.680 5.152 -0.472 1
1 672 . 20 1 1 A 55 55 GLU N N 55 117.600 121.290 -3.690 1
1 673 . 20 1 1 A 55 55 GLU CA C 55 53.537 55.505 -1.968 1
1 674 . 20 1 1 A 55 55 GLU CB C 55 33.241 32.928 0.313 1
1 676 . 20 1 1 A 55 55 GLU C C 55 176.694 175.383 1.311 1
1 677 . 20 1 1 A 55 55 GLU H H 55 8.309 8.980 -0.671 1
1 678 . 20 1 1 A 55 55 GLU HA H 55 5.690 4.735 0.955 1
1 683 . 20 1 1 A 56 56 THR N N 56 111.700 118.774 -7.074 1
1 684 . 20 1 1 A 56 56 THR CA C 56 60.989 61.375 -0.386 1
1 685 . 20 1 1 A 56 56 THR CB C 56 71.860 69.930 1.930 1
1 687 . 20 1 1 A 56 56 THR C C 56 174.385 174.061 0.324 1
1 688 . 20 1 1 A 56 56 THR H H 56 8.775 8.757 0.018 1
1 689 . 20 1 1 A 56 56 THR HA H 56 4.838 4.245 0.593 1
1 692 . 20 1 1 A 57 57 LYS N N 57 119.500 122.879 -3.379 1
1 693 . 20 1 1 A 57 57 LYS CA C 57 56.775 55.939 0.836 1
1 694 . 20 1 1 A 57 57 LYS CB C 57 32.743 33.048 -0.305 1
1 698 . 20 1 1 A 57 57 LYS H H 57 9.787 7.819 1.968 1
1 699 . 20 1 1 A 57 57 LYS HA H 57 4.151 4.198 -0.047 1
1 700 . 20 1 1 A 57 57 LYS C C 57 177.417 176.708 0.709 1
1 709 . 20 1 1 A 58 58 VAL N N 58 123.100 124.930 -1.830 1
1 710 . 20 1 1 A 58 58 VAL CA C 58 61.870 63.011 -1.141 1
1 711 . 20 1 1 A 58 58 VAL CB C 58 32.081 32.023 0.058 1
1 714 . 20 1 1 A 58 58 VAL C C 58 176.850 175.717 1.133 1
1 715 . 20 1 1 A 58 58 VAL H H 58 8.120 8.283 -0.163 1
1 716 . 20 1 1 A 58 58 VAL HA H 58 4.284 4.113 0.171 1
1 724 . 20 1 1 A 59 59 HIS N N 59 128.800 127.490 1.310 1
1 725 . 20 1 1 A 59 59 HIS CA C 59 54.311 54.959 -0.648 1
1 726 . 20 1 1 A 59 59 HIS CB C 59 30.426 28.797 1.629 1
1 727 . 20 1 1 A 59 59 HIS C C 59 172.101 174.791 -2.690 1
1 728 . 20 1 1 A 59 59 HIS H H 59 8.550 8.500 0.050 1
1 729 . 20 1 1 A 59 59 HIS HA H 59 4.457 4.974 -0.517 1
1 732 . 20 1 1 A 60 60 ARG N N 60 118.700 123.397 -4.697 1
1 733 . 20 1 1 A 60 60 ARG CA C 60 55.702 56.446 -0.744 1
1 734 . 20 1 1 A 60 60 ARG CB C 60 30.713 30.313 0.400 1
1 737 . 20 1 1 A 60 60 ARG C C 60 176.252 176.459 -0.207 1
1 738 . 20 1 1 A 60 60 ARG H H 60 8.211 8.526 -0.315 1
1 739 . 20 1 1 A 60 60 ARG HA H 60 4.389 4.730 -0.341 1
1 746 . 20 1 1 A 61 61 LYS N N 61 122.500 120.140 2.360 1
1 747 . 20 1 1 A 61 61 LYS CA C 61 55.977 57.060 -1.083 1
1 748 . 20 1 1 A 61 61 LYS CB C 61 29.711 29.471 0.240 1
1 752 . 20 1 1 A 61 61 LYS H H 61 9.608 9.129 0.479 1
1 753 . 20 1 1 A 61 61 LYS HA H 61 3.946 3.803 0.143 1
1 754 . 20 1 1 A 61 61 LYS C C 61 175.083 175.004 0.079 1
1 763 . 20 1 1 A 62 62 THR N N 62 113.400 112.459 0.941 1
1 764 . 20 1 1 A 62 62 THR CA C 62 59.755 61.053 -1.298 1
1 765 . 20 1 1 A 62 62 THR CB C 62 63.417 71.256 -7.839 1
1 767 . 20 1 1 A 62 62 THR C C 62 170.120 173.205 -3.085 1
1 768 . 20 1 1 A 62 62 THR H H 62 8.470 8.251 0.219 1
1 769 . 20 1 1 A 62 62 THR HA H 62 4.703 4.746 -0.043 1
1 772 . 20 1 1 A 63 63 LEU N N 63 123.100 128.974 -5.874 1
1 773 . 20 1 1 A 63 63 LEU CA C 63 52.833 56.034 -3.201 1
1 774 . 20 1 1 A 63 63 LEU CB C 63 40.311 42.357 -2.046 1
1 778 . 20 1 1 A 63 63 LEU C C 63 175.135 176.860 -1.725 1
1 779 . 20 1 1 A 63 63 LEU H H 63 8.257 8.734 -0.477 1
1 780 . 20 1 1 A 63 63 LEU HA H 63 4.483 4.251 0.232 1
1 790 . 20 1 1 A 64 64 ASN N N 64 114.829 117.794 -2.965 1
1 792 . 20 1 1 A 64 64 ASN CA C 64 50.610 50.322 0.288 1
1 793 . 20 1 1 A 64 64 ASN CB C 64 40.550 38.911 1.639 1
1 794 . 20 1 1 A 64 64 ASN C C 64 171.500 172.840 -1.340 1
1 795 . 20 1 1 A 64 64 ASN H H 64 8.306 7.915 0.391 1
1 796 . 20 1 1 A 64 64 ASN HA H 64 5.450 5.239 0.211 1
1 801 . 20 1 1 A 65 65 PRO CA C 65 61.914 62.059 -0.145 1
1 802 . 20 1 1 A 65 65 PRO CB C 65 30.780 32.249 -1.469 1
1 805 . 20 1 1 A 65 65 PRO C C 65 173.852 175.211 -1.359 1
1 806 . 20 1 1 A 65 65 PRO HA H 65 3.970 4.827 -0.857 1
1 813 . 20 1 1 A 66 66 VAL N N 66 121.000 122.309 -1.309 1
1 814 . 20 1 1 A 66 66 VAL CA C 66 61.782 60.576 1.206 1
1 815 . 20 1 1 A 66 66 VAL CB C 66 32.721 33.812 -1.091 1
1 818 . 20 1 1 A 66 66 VAL C C 66 175.152 175.828 -0.676 1
1 819 . 20 1 1 A 66 66 VAL H H 66 7.926 8.411 -0.485 1
1 820 . 20 1 1 A 66 66 VAL HA H 66 3.807 4.464 -0.657 1
1 828 . 20 1 1 A 67 67 PHE N N 67 123.400 129.335 -5.935 1
1 829 . 20 1 1 A 67 67 PHE CA C 67 59.262 60.291 -1.029 1
1 830 . 20 1 1 A 67 67 PHE CB C 67 39.849 40.336 -0.487 1
1 831 . 20 1 1 A 67 67 PHE C C 67 175.748 175.460 0.288 1
1 832 . 20 1 1 A 67 67 PHE H H 67 8.150 9.372 -1.222 1
1 833 . 20 1 1 A 67 67 PHE HA H 67 4.378 4.505 -0.127 1
1 836 . 20 1 1 A 68 68 ASN N N 68 117.500 116.162 1.338 1
1 837 . 20 1 1 A 68 68 ASN CA C 68 53.983 54.502 -0.519 1
1 838 . 20 1 1 A 68 68 ASN CB C 68 37.351 36.762 0.589 1
1 839 . 20 1 1 A 68 68 ASN C C 68 173.314 173.973 -0.659 1
1 840 . 20 1 1 A 68 68 ASN H H 68 8.920 8.670 0.250 1
1 841 . 20 1 1 A 68 68 ASN HA H 68 4.350 4.889 -0.539 1
1 847 . 20 1 1 A 69 69 GLU N N 69 116.000 118.104 -2.104 1
1 848 . 20 1 1 A 69 69 GLU CA C 69 55.742 56.581 -0.839 1
1 849 . 20 1 1 A 69 69 GLU CB C 69 34.663 31.162 3.501 1
1 851 . 20 1 1 A 69 69 GLU C C 69 174.165 174.512 -0.347 1
1 852 . 20 1 1 A 69 69 GLU H H 69 7.931 8.074 -0.143 1
1 853 . 20 1 1 A 69 69 GLU HA H 69 4.638 4.839 -0.201 1
1 858 . 20 1 1 A 70 70 GLN N N 70 121.500 128.434 -6.934 1
1 860 . 20 1 1 A 70 70 GLN CA C 70 53.807 54.864 -1.057 1
1 861 . 20 1 1 A 70 70 GLN CB C 70 31.750 32.234 -0.484 1
1 863 . 20 1 1 A 70 70 GLN C C 70 173.068 174.649 -1.581 1
1 864 . 20 1 1 A 70 70 GLN H H 70 8.174 9.411 -1.237 1
1 865 . 20 1 1 A 70 70 GLN HA H 70 4.985 5.199 -0.214 1
1 872 . 20 1 1 A 71 71 PHE N N 71 124.300 125.202 -0.902 1
1 873 . 20 1 1 A 71 71 PHE CA C 71 55.249 56.133 -0.884 1
1 874 . 20 1 1 A 71 71 PHE CB C 71 42.133 39.397 2.736 1
1 875 . 20 1 1 A 71 71 PHE C C 71 173.570 175.465 -1.895 1
1 876 . 20 1 1 A 71 71 PHE H H 71 9.040 9.142 -0.102 1
1 877 . 20 1 1 A 71 71 PHE HA H 71 4.528 4.729 -0.201 1
1 880 . 20 1 1 A 72 72 THR N N 72 114.000 118.390 -4.390 1
1 881 . 20 1 1 A 72 72 THR CA C 72 59.491 62.545 -3.054 1
1 882 . 20 1 1 A 72 72 THR CB C 72 70.623 67.492 3.131 1
1 884 . 20 1 1 A 72 72 THR C C 72 172.834 172.704 0.130 1
1 885 . 20 1 1 A 72 72 THR H H 72 7.763 8.582 -0.819 1
1 886 . 20 1 1 A 72 72 THR HA H 72 5.212 4.346 0.866 1
1 889 . 20 1 1 A 73 73 PHE N N 73 120.900 125.626 -4.726 1
1 890 . 20 1 1 A 73 73 PHE CA C 73 56.071 56.116 -0.045 1
1 891 . 20 1 1 A 73 73 PHE CB C 73 41.570 41.454 0.116 1
1 892 . 20 1 1 A 73 73 PHE C C 73 174.890 175.239 -0.349 1
1 893 . 20 1 1 A 73 73 PHE H H 73 8.983 9.291 -0.308 1
1 894 . 20 1 1 A 73 73 PHE HA H 73 4.750 5.070 -0.320 1
1 897 . 20 1 1 A 74 74 LYS N N 74 127.500 125.188 2.312 1
1 898 . 20 1 1 A 74 74 LYS CA C 74 56.186 56.253 -0.067 1
1 899 . 20 1 1 A 74 74 LYS CB C 74 30.577 30.938 -0.361 1
1 903 . 20 1 1 A 74 74 LYS C C 74 174.575 175.326 -0.751 1
1 904 . 20 1 1 A 74 74 LYS H H 74 9.063 8.943 0.120 1
1 905 . 20 1 1 A 74 74 LYS HA H 74 4.690 4.525 0.165 1
1 914 . 20 1 1 A 75 75 VAL N N 75 126.600 123.417 3.183 1
1 915 . 20 1 1 A 75 75 VAL CA C 75 57.737 58.325 -0.588 1
1 916 . 20 1 1 A 75 75 VAL CB C 75 35.160 35.103 0.057 1
1 919 . 20 1 1 A 75 75 VAL C C 75 171.500 173.977 -2.477 1
1 920 . 20 1 1 A 75 75 VAL H H 75 7.546 8.310 -0.764 1
1 921 . 20 1 1 A 75 75 VAL HA H 75 4.650 4.669 -0.019 1
1 929 . 20 1 1 A 76 76 PRO CA C 76 62.476 62.776 -0.300 1
1 930 . 20 1 1 A 76 76 PRO CB C 76 32.143 32.785 -0.642 1
1 933 . 20 1 1 A 76 76 PRO C C 76 176.991 177.296 -0.305 1
1 934 . 20 1 1 A 76 76 PRO HA H 76 4.329 4.710 -0.381 1
1 941 . 20 1 1 A 77 77 TYR N N 77 128.500 126.124 2.376 1
1 942 . 20 1 1 A 77 77 TYR CA C 77 61.772 61.834 -0.062 1
1 943 . 20 1 1 A 77 77 TYR CB C 77 37.898 38.378 -0.480 1
1 944 . 20 1 1 A 77 77 TYR C C 77 177.516 177.653 -0.137 1
1 945 . 20 1 1 A 77 77 TYR H H 77 8.626 9.172 -0.546 1
1 946 . 20 1 1 A 77 77 TYR HA H 77 3.403 3.985 -0.582 1
1 950 . 20 1 1 A 78 78 SER N N 78 110.600 114.538 -3.938 1
1 951 . 20 1 1 A 78 78 SER H H 78 8.509 8.445 0.064 1
1 952 . 20 1 1 A 78 78 SER CA C 78 60.064 61.590 -1.526 1
1 953 . 20 1 1 A 78 78 SER CB C 78 62.022 63.173 -1.151 1
1 954 . 20 1 1 A 78 78 SER C C 78 175.292 176.116 -0.824 1
1 955 . 20 1 1 A 78 78 SER HA H 78 3.940 4.100 -0.160 1
1 958 . 20 1 1 A 79 79 GLU N N 79 119.000 120.968 -1.968 1
1 959 . 20 1 1 A 79 79 GLU CA C 79 55.273 56.819 -1.546 1
1 960 . 20 1 1 A 79 79 GLU CB C 79 30.302 30.028 0.274 1
1 962 . 20 1 1 A 79 79 GLU C C 79 177.218 178.562 -1.344 1
1 963 . 20 1 1 A 79 79 GLU H H 79 7.411 7.780 -0.369 1
1 964 . 20 1 1 A 79 79 GLU HA H 79 4.280 4.274 0.006 1
1 969 . 20 1 1 A 80 80 LEU N N 80 121.600 122.729 -1.129 1
1 970 . 20 1 1 A 80 80 LEU CA C 80 57.376 57.805 -0.429 1
1 971 . 20 1 1 A 80 80 LEU CB C 80 41.916 41.665 0.251 1
1 975 . 20 1 1 A 80 80 LEU C C 80 177.098 178.086 -0.988 1
1 976 . 20 1 1 A 80 80 LEU H H 80 7.311 7.879 -0.568 1
1 977 . 20 1 1 A 80 80 LEU HA H 80 3.643 3.836 -0.193 1
1 987 . 20 1 1 A 81 81 GLY N N 81 102.900 106.084 -3.184 1
1 988 . 20 1 1 A 81 81 GLY CA C 81 46.638 47.128 -0.490 1
1 989 . 20 1 1 A 81 81 GLY C C 81 174.240 176.509 -2.269 1
1 990 . 20 1 1 A 81 81 GLY H H 81 7.860 8.235 -0.375 1
1 991 . 20 1 1 A 81 81 GLY HA3 H 81 3.744 3.661 0.083 1
1 992 . 20 1 1 A 81 81 GLY HA2 H 81 3.434 3.633 -0.199 1
1 993 . 20 1 1 A 82 82 GLY N N 82 105.900 108.780 -2.880 1
1 994 . 20 1 1 A 82 82 GLY CA C 82 44.289 46.922 -2.633 1
1 995 . 20 1 1 A 82 82 GLY C C 82 174.591 174.466 0.125 1
1 996 . 20 1 1 A 82 82 GLY H H 82 7.396 7.859 -0.463 1
1 997 . 20 1 1 A 82 82 GLY HA3 H 82 4.267 3.912 0.355 1
1 998 . 20 1 1 A 82 82 GLY HA2 H 82 3.760 3.905 -0.145 1
1 999 . 20 1 1 A 83 83 LYS N N 83 119.000 119.065 -0.065 1
1 1000 . 20 1 1 A 83 83 LYS CA C 83 53.818 55.177 -1.359 1
1 1001 . 20 1 1 A 83 83 LYS CB C 83 33.814 34.069 -0.255 1
1 1005 . 20 1 1 A 83 83 LYS H H 83 7.888 7.872 0.016 1
1 1006 . 20 1 1 A 83 83 LYS HA H 83 4.366 4.684 -0.318 1
1 1007 . 20 1 1 A 83 83 LYS C C 83 176.518 176.353 0.165 1
1 1015 . 20 1 1 A 84 84 THR N N 84 118.500 115.466 3.034 1
1 1016 . 20 1 1 A 84 84 THR CA C 84 61.914 60.702 1.212 1
1 1017 . 20 1 1 A 84 84 THR CB C 84 71.340 70.129 1.211 1
1 1019 . 20 1 1 A 84 84 THR C C 84 171.750 173.852 -2.102 1
1 1020 . 20 1 1 A 84 84 THR H H 84 8.248 8.777 -0.529 1
1 1021 . 20 1 1 A 84 84 THR HA H 84 4.638 5.071 -0.433 1
1 1024 . 20 1 1 A 85 85 LEU N N 85 130.500 127.111 3.389 1
1 1025 . 20 1 1 A 85 85 LEU CA C 85 53.982 53.764 0.218 1
1 1026 . 20 1 1 A 85 85 LEU CB C 85 43.826 42.561 1.265 1
1 1030 . 20 1 1 A 85 85 LEU C C 85 173.417 176.430 -3.013 1
1 1031 . 20 1 1 A 85 85 LEU H H 85 8.430 8.857 -0.427 1
1 1032 . 20 1 1 A 85 85 LEU HA H 85 4.417 4.671 -0.254 1
1 1042 . 20 1 1 A 86 86 VAL N N 86 127.723 119.073 8.650 1
1 1043 . 20 1 1 A 86 86 VAL CA C 86 61.206 59.026 2.180 1
1 1044 . 20 1 1 A 86 86 VAL CB C 86 31.856 34.405 -2.549 1
1 1047 . 20 1 1 A 86 86 VAL C C 86 173.599 174.759 -1.160 1
1 1048 . 20 1 1 A 86 86 VAL H H 86 8.771 9.283 -0.512 1
1 1049 . 20 1 1 A 86 86 VAL HA H 86 4.151 4.778 -0.627 1
1 1057 . 20 1 1 A 87 87 MET N N 87 122.600 123.056 -0.456 1
1 1058 . 20 1 1 A 87 87 MET CA C 87 53.654 53.403 0.251 1
1 1059 . 20 1 1 A 87 87 MET CB C 87 31.288 35.384 -4.096 1
1 1061 . 20 1 1 A 87 87 MET C C 87 172.749 174.855 -2.106 1
1 1062 . 20 1 1 A 87 87 MET H H 87 7.503 9.381 -1.878 1
1 1063 . 20 1 1 A 87 87 MET HA H 87 4.706 5.808 -1.102 1
1 1068 . 20 1 1 A 88 88 ALA N N 88 124.200 123.153 1.047 1
1 1069 . 20 1 1 A 88 88 ALA CA C 88 50.017 51.194 -1.177 1
1 1070 . 20 1 1 A 88 88 ALA CB C 88 23.107 20.947 2.160 1
1 1071 . 20 1 1 A 88 88 ALA C C 88 174.558 175.895 -1.337 1
1 1072 . 20 1 1 A 88 88 ALA H H 88 8.755 9.232 -0.477 1
1 1073 . 20 1 1 A 88 88 ALA HA H 88 4.948 5.154 -0.206 1
1 1077 . 20 1 1 A 89 89 VAL N N 89 122.900 123.823 -0.923 1
1 1078 . 20 1 1 A 89 89 VAL CA C 89 60.881 62.762 -1.881 1
1 1079 . 20 1 1 A 89 89 VAL CB C 89 31.541 31.576 -0.035 1
1 1082 . 20 1 1 A 89 89 VAL C C 89 173.707 174.742 -1.035 1
1 1083 . 20 1 1 A 89 89 VAL H H 89 8.813 8.808 0.005 1
1 1084 . 20 1 1 A 89 89 VAL HA H 89 4.652 4.768 -0.116 1
1 1092 . 20 1 1 A 90 90 TYR N N 90 128.400 126.701 1.699 1
1 1093 . 20 1 1 A 90 90 TYR CA C 90 56.230 56.004 0.226 1
1 1094 . 20 1 1 A 90 90 TYR CB C 90 43.211 41.185 2.026 1
1 1095 . 20 1 1 A 90 90 TYR C C 90 173.024 174.331 -1.307 1
1 1096 . 20 1 1 A 90 90 TYR H H 90 9.067 9.343 -0.276 1
1 1097 . 20 1 1 A 90 90 TYR HA H 90 4.766 5.039 -0.273 1
1 1101 . 20 1 1 A 91 91 ASP N N 91 116.300 124.653 -8.353 1
1 1102 . 20 1 1 A 91 91 ASP CA C 91 51.800 52.794 -0.994 1
1 1103 . 20 1 1 A 91 91 ASP CB C 91 42.265 41.444 0.821 1
1 1104 . 20 1 1 A 91 91 ASP C C 91 175.823 175.178 0.645 1
1 1105 . 20 1 1 A 91 91 ASP H H 91 8.700 8.916 -0.216 1
1 1106 . 20 1 1 A 91 91 ASP HA H 91 5.098 5.234 -0.136 1
1 1109 . 20 1 1 A 92 92 PHE N N 92 128.100 123.782 4.318 1
1 1110 . 20 1 1 A 92 92 PHE CA C 92 58.830 56.279 2.551 1
1 1111 . 20 1 1 A 92 92 PHE CB C 92 31.850 38.978 -7.128 1
1 1112 . 20 1 1 A 92 92 PHE C C 92 173.437 174.657 -1.220 1
1 1113 . 20 1 1 A 92 92 PHE H H 92 9.540 8.659 0.881 1
1 1114 . 20 1 1 A 92 92 PHE HA H 92 4.480 5.116 -0.636 1
1 1117 . 20 1 1 A 93 93 ASP N N 93 122.100 123.664 -1.564 1
1 1118 . 20 1 1 A 93 93 ASP CA C 93 53.701 54.559 -0.858 1
1 1119 . 20 1 1 A 93 93 ASP CB C 93 41.736 43.397 -1.661 1
1 1120 . 20 1 1 A 93 93 ASP C C 93 175.548 177.697 -2.149 1
1 1121 . 20 1 1 A 93 93 ASP H H 93 7.812 8.620 -0.808 1
1 1122 . 20 1 1 A 93 93 ASP HA H 93 4.480 4.716 -0.236 1
1 1125 . 20 1 1 A 94 94 ARG N N 94 121.500 118.639 2.861 1
1 1126 . 20 1 1 A 94 94 ARG CA C 94 56.142 58.422 -2.280 1
1 1127 . 20 1 1 A 94 94 ARG CB C 94 30.173 29.815 0.358 1
1 1129 . 20 1 1 A 94 94 ARG C C 94 175.795 177.348 -1.553 1
1 1130 . 20 1 1 A 94 94 ARG H H 94 8.264 7.865 0.399 1
1 1131 . 20 1 1 A 94 94 ARG HA H 94 4.000 3.495 0.505 1
1 1138 . 20 1 1 A 95 95 PHE N N 95 118.600 116.458 2.142 1
1 1139 . 20 1 1 A 95 95 PHE CA C 95 59.850 58.839 1.011 1
1 1140 . 20 1 1 A 95 95 PHE CB C 95 38.955 41.380 -2.425 1
1 1141 . 20 1 1 A 95 95 PHE C C 95 172.969 174.945 -1.976 1
1 1142 . 20 1 1 A 95 95 PHE H H 95 6.889 7.704 -0.815 1
1 1143 . 20 1 1 A 95 95 PHE HA H 95 4.373 4.773 -0.400 1
1 1146 . 20 1 1 A 96 96 SER N N 96 114.200 111.694 2.506 1
1 1147 . 20 1 1 A 96 96 SER H H 96 8.027 7.744 0.283 1
1 1148 . 20 1 1 A 96 96 SER CA C 96 57.596 57.062 0.534 1
1 1149 . 20 1 1 A 96 96 SER CB C 96 63.494 63.647 -0.153 1
1 1150 . 20 1 1 A 96 96 SER C C 96 174.149 174.118 0.031 1
1 1151 . 20 1 1 A 96 96 SER HA H 96 4.220 4.623 -0.403 1
1 1154 . 20 1 1 A 97 97 LYS N N 97 121.600 118.734 2.866 1
1 1155 . 20 1 1 A 97 97 LYS CA C 97 58.206 56.690 1.516 1
1 1156 . 20 1 1 A 97 97 LYS CB C 97 31.860 32.828 -0.968 1
1 1159 . 20 1 1 A 97 97 LYS H H 97 8.264 8.415 -0.151 1
1 1160 . 20 1 1 A 97 97 LYS HA H 97 4.202 4.630 -0.428 1
1 1161 . 20 1 1 A 97 97 LYS C C 97 175.599 176.044 -0.445 1
1 1170 . 20 1 1 A 98 98 HIS N N 98 119.000 124.337 -5.337 1
1 1171 . 20 1 1 A 98 98 HIS CA C 98 54.159 56.989 -2.830 1
1 1172 . 20 1 1 A 98 98 HIS CB C 98 30.040 30.990 -0.950 1
1 1173 . 20 1 1 A 98 98 HIS C C 98 174.050 174.576 -0.526 1
1 1174 . 20 1 1 A 98 98 HIS H H 98 8.350 8.950 -0.600 1
1 1175 . 20 1 1 A 98 98 HIS HA H 98 4.784 4.888 -0.104 1
1 1178 . 20 1 1 A 99 99 ASP N N 99 122.600 125.327 -2.727 1
1 1179 . 20 1 1 A 99 99 ASP CA C 99 53.806 54.348 -0.542 1
1 1180 . 20 1 1 A 99 99 ASP CB C 99 41.074 41.431 -0.357 1
1 1181 . 20 1 1 A 99 99 ASP C C 99 174.346 175.731 -1.385 1
1 1182 . 20 1 1 A 99 99 ASP H H 99 8.812 8.719 0.093 1
1 1183 . 20 1 1 A 99 99 ASP HA H 99 4.781 4.682 0.099 1
1 1186 . 20 1 1 A 100 100 ILE N N 100 122.400 123.342 -0.942 1
1 1187 . 20 1 1 A 100 100 ILE CA C 100 60.989 61.887 -0.898 1
1 1188 . 20 1 1 A 100 100 ILE CB C 100 38.823 38.283 0.540 1
1 1192 . 20 1 1 A 100 100 ILE C C 100 174.431 176.448 -2.017 1
1 1193 . 20 1 1 A 100 100 ILE H H 100 8.075 7.912 0.163 1
1 1194 . 20 1 1 A 100 100 ILE HA H 100 3.405 3.389 0.016 1
1 1204 . 20 1 1 A 101 101 ILE N N 101 127.400 125.033 2.367 1
1 1205 . 20 1 1 A 101 101 ILE CA C 101 63.380 62.597 0.783 1
1 1206 . 20 1 1 A 101 101 ILE CB C 101 38.058 38.313 -0.255 1
1 1210 . 20 1 1 A 101 101 ILE C C 101 175.859 176.321 -0.462 1
1 1211 . 20 1 1 A 101 101 ILE H H 101 9.219 8.381 0.838 1
1 1212 . 20 1 1 A 101 101 ILE HA H 101 3.869 4.076 -0.207 1
1 1219 . 20 1 1 A 102 102 GLY N N 102 101.500 109.479 -7.979 1
1 1220 . 20 1 1 A 102 102 GLY CA C 102 45.259 45.756 -0.497 1
1 1221 . 20 1 1 A 102 102 GLY C C 102 169.614 171.025 -1.411 1
1 1222 . 20 1 1 A 102 102 GLY H H 102 7.241 7.182 0.059 1
1 1223 . 20 1 1 A 102 102 GLY HA3 H 102 4.024 3.993 0.031 1
1 1224 . 20 1 1 A 102 102 GLY HA2 H 102 3.811 3.982 -0.171 1
1 1225 . 20 1 1 A 103 103 GLU N N 103 117.100 117.435 -0.335 1
1 1226 . 20 1 1 A 103 103 GLU CA C 103 54.229 54.983 -0.754 1
1 1227 . 20 1 1 A 103 103 GLU CB C 103 34.012 33.901 0.111 1
1 1229 . 20 1 1 A 103 103 GLU C C 103 173.993 173.979 0.014 1
1 1230 . 20 1 1 A 103 103 GLU H H 103 9.499 9.885 -0.386 1
1 1231 . 20 1 1 A 103 103 GLU HA H 103 5.513 5.302 0.211 1
1 1236 . 20 1 1 A 104 104 PHE N N 104 115.900 121.536 -5.636 1
1 1237 . 20 1 1 A 104 104 PHE CA C 104 58.037 57.385 0.652 1
1 1238 . 20 1 1 A 104 104 PHE CB C 104 41.030 42.515 -1.485 1
1 1239 . 20 1 1 A 104 104 PHE C C 104 171.749 173.030 -1.281 1
1 1240 . 20 1 1 A 104 104 PHE H H 104 8.525 9.018 -0.493 1
1 1241 . 20 1 1 A 104 104 PHE HA H 104 4.731 5.071 -0.340 1
1 1244 . 20 1 1 A 105 105 LYS N N 105 118.900 121.969 -3.069 1
1 1245 . 20 1 1 A 105 105 LYS CA C 105 53.771 54.177 -0.406 1
1 1246 . 20 1 1 A 105 105 LYS CB C 105 34.953 35.207 -0.254 1
1 1250 . 20 1 1 A 105 105 LYS H H 105 7.805 7.050 0.755 1
1 1251 . 20 1 1 A 105 105 LYS HA H 105 5.188 4.865 0.323 1
1 1252 . 20 1 1 A 105 105 LYS C C 105 175.389 175.470 -0.081 1
1 1261 . 20 1 1 A 106 106 VAL N N 106 121.400 122.964 -1.564 1
1 1262 . 20 1 1 A 106 106 VAL CA C 106 58.522 59.174 -0.652 1
1 1263 . 20 1 1 A 106 106 VAL CB C 106 34.050 33.735 0.315 1
1 1266 . 20 1 1 A 106 106 VAL C C 106 173.300 173.982 -0.682 1
1 1267 . 20 1 1 A 106 106 VAL H H 106 9.276 9.364 -0.088 1
1 1268 . 20 1 1 A 106 106 VAL HA H 106 4.430 4.778 -0.348 1
1 1276 . 20 1 1 A 107 107 PRO CA C 107 62.265 62.437 -0.172 1
1 1277 . 20 1 1 A 107 107 PRO CB C 107 31.157 32.037 -0.880 1
1 1280 . 20 1 1 A 107 107 PRO C C 107 178.967 177.607 1.360 1
1 1281 . 20 1 1 A 107 107 PRO HA H 107 4.703 4.705 -0.002 1
1 1288 . 20 1 1 A 108 108 MET N N 108 126.300 124.271 2.029 1
1 1289 . 20 1 1 A 108 108 MET CA C 108 56.728 57.906 -1.178 1
1 1290 . 20 1 1 A 108 108 MET CB C 108 32.909 31.726 1.183 1
1 1292 . 20 1 1 A 108 108 MET C C 108 176.858 178.017 -1.159 1
1 1293 . 20 1 1 A 108 108 MET H H 108 8.716 8.631 0.085 1
1 1294 . 20 1 1 A 108 108 MET HA H 108 4.483 4.122 0.361 1
1 1299 . 20 1 1 A 109 109 ASN N N 109 115.600 119.193 -3.593 1
1 1300 . 20 1 1 A 109 109 ASN CA C 109 53.983 55.385 -1.402 1
1 1301 . 20 1 1 A 109 109 ASN CB C 109 36.227 38.621 -2.394 1
1 1302 . 20 1 1 A 109 109 ASN C C 109 175.789 177.022 -1.233 1
1 1303 . 20 1 1 A 109 109 ASN H H 109 8.342 8.012 0.330 1
1 1304 . 20 1 1 A 109 109 ASN HA H 109 4.564 4.546 0.018 1
1 1310 . 20 1 1 A 110 110 THR N N 110 107.600 108.735 -1.135 1
1 1311 . 20 1 1 A 110 110 THR CA C 110 61.115 62.997 -1.882 1
1 1312 . 20 1 1 A 110 110 THR CB C 110 62.929 69.556 -6.627 1
1 1314 . 20 1 1 A 110 110 THR C C 110 173.508 174.755 -1.247 1
1 1315 . 20 1 1 A 110 110 THR H H 110 7.522 7.330 0.192 1
1 1316 . 20 1 1 A 110 110 THR HA H 110 4.461 4.290 0.171 1
1 1319 . 20 1 1 A 111 111 VAL N N 111 123.700 123.606 0.094 1
1 1320 . 20 1 1 A 111 111 VAL CA C 111 61.782 61.547 0.235 1
1 1321 . 20 1 1 A 111 111 VAL CB C 111 32.821 32.105 0.716 1
1 1324 . 20 1 1 A 111 111 VAL C C 111 173.903 174.375 -0.472 1
1 1325 . 20 1 1 A 111 111 VAL H H 111 6.960 7.176 -0.216 1
1 1326 . 20 1 1 A 111 111 VAL HA H 111 3.703 4.027 -0.324 1
1 1334 . 20 1 1 A 112 112 ASP N N 112 125.800 128.579 -2.779 1
1 1335 . 20 1 1 A 112 112 ASP CA C 112 51.777 53.325 -1.548 1
1 1336 . 20 1 1 A 112 112 ASP CB C 112 40.648 41.285 -0.637 1
1 1337 . 20 1 1 A 112 112 ASP C C 112 175.407 175.490 -0.083 1
1 1338 . 20 1 1 A 112 112 ASP H H 112 8.341 8.673 -0.332 1
1 1339 . 20 1 1 A 112 112 ASP HA H 112 4.719 5.063 -0.344 1
1 1342 . 20 1 1 A 113 113 PHE N N 113 122.700 123.165 -0.465 1
1 1343 . 20 1 1 A 113 113 PHE CA C 113 59.887 56.054 3.833 1
1 1344 . 20 1 1 A 113 113 PHE CB C 113 37.999 37.158 0.841 1
1 1345 . 20 1 1 A 113 113 PHE C C 113 175.854 176.674 -0.820 1
1 1346 . 20 1 1 A 113 113 PHE H H 113 8.391 9.325 -0.934 1
1 1347 . 20 1 1 A 113 113 PHE HA H 113 4.670 4.883 -0.213 1
1 1350 . 20 1 1 A 114 114 GLY N N 114 108.608 109.713 -1.105 1
1 1351 . 20 1 1 A 114 114 GLY CA C 114 45.657 47.135 -1.478 1
1 1352 . 20 1 1 A 114 114 GLY C C 114 172.963 176.280 -3.317 1
1 1353 . 20 1 1 A 114 114 GLY H H 114 8.953 8.645 0.308 1
1 1354 . 20 1 1 A 114 114 GLY HA3 H 114 4.018 3.583 0.435 1
1 1355 . 20 1 1 A 114 114 GLY HA2 H 114 3.912 3.534 0.378 1
1 1356 . 20 1 1 A 115 115 HIS N N 115 114.926 119.231 -4.305 1
1 1357 . 20 1 1 A 115 115 HIS CA C 115 53.533 56.191 -2.658 1
1 1358 . 20 1 1 A 115 115 HIS CB C 115 30.349 31.050 -0.701 1
1 1359 . 20 1 1 A 115 115 HIS C C 115 172.453 174.807 -2.354 1
1 1360 . 20 1 1 A 115 115 HIS H H 115 7.510 8.103 -0.593 1
1 1361 . 20 1 1 A 115 115 HIS HA H 115 4.868 4.941 -0.073 1
1 1364 . 20 1 1 A 116 116 VAL N N 116 122.100 115.162 6.938 1
1 1365 . 20 1 1 A 116 116 VAL CA C 116 62.992 60.611 2.381 1
1 1366 . 20 1 1 A 116 116 VAL CB C 116 31.850 33.939 -2.089 1
1 1369 . 20 1 1 A 116 116 VAL C C 116 176.352 174.672 1.680 1
1 1370 . 20 1 1 A 116 116 VAL H H 116 8.460 8.070 0.390 1
1 1371 . 20 1 1 A 116 116 VAL HA H 116 4.268 5.296 -1.028 1
1 1379 . 20 1 1 A 117 117 THR N N 117 124.700 122.598 2.102 1
1 1380 . 20 1 1 A 117 117 THR CA C 117 61.694 61.933 -0.239 1
1 1381 . 20 1 1 A 117 117 THR CB C 117 70.001 69.678 0.323 1
1 1383 . 20 1 1 A 117 117 THR C C 117 172.762 173.804 -1.042 1
1 1384 . 20 1 1 A 117 117 THR H H 117 8.550 9.804 -1.254 1
1 1385 . 20 1 1 A 117 117 THR HA H 117 4.460 4.624 -0.164 1
1 1388 . 20 1 1 A 118 118 GLU N N 118 126.000 125.373 0.627 1
1 1389 . 20 1 1 A 118 118 GLU CA C 118 55.038 55.153 -0.115 1
1 1390 . 20 1 1 A 118 118 GLU CB C 118 30.835 31.474 -0.639 1
1 1392 . 20 1 1 A 118 118 GLU C C 118 174.419 175.604 -1.185 1
1 1393 . 20 1 1 A 118 118 GLU H H 118 8.382 8.767 -0.385 1
1 1394 . 20 1 1 A 118 118 GLU HA H 118 4.776 5.495 -0.719 1
1 1399 . 20 1 1 A 119 119 GLU N N 119 123.000 121.559 1.441 1
1 1400 . 20 1 1 A 119 119 GLU CA C 119 54.292 54.378 -0.086 1
1 1401 . 20 1 1 A 119 119 GLU CB C 119 32.909 32.491 0.418 1
1 1403 . 20 1 1 A 119 119 GLU C C 119 173.072 175.000 -1.928 1
1 1404 . 20 1 1 A 119 119 GLU H H 119 8.057 8.758 -0.701 1
1 1405 . 20 1 1 A 119 119 GLU HA H 119 4.631 4.699 -0.068 1
1 1410 . 20 1 1 A 120 120 TRP N N 120 118.300 121.816 -3.516 1
1 1411 . 20 1 1 A 120 120 TRP C C 120 177.336 175.800 1.536 1
1 1412 . 20 1 1 A 120 120 TRP CA C 120 55.672 56.734 -1.062 1
1 1413 . 20 1 1 A 120 120 TRP CB C 120 31.259 29.238 2.021 1
1 1414 . 20 1 1 A 120 120 TRP H H 120 8.212 8.239 -0.027 1
1 1415 . 20 1 1 A 120 120 TRP HA H 120 5.322 4.785 0.537 1
1 1424 . 20 1 1 A 121 121 ARG N N 121 120.900 122.957 -2.057 1
1 1425 . 20 1 1 A 121 121 ARG CA C 121 53.631 55.461 -1.830 1
1 1426 . 20 1 1 A 121 121 ARG CB C 121 32.865 30.714 2.151 1
1 1429 . 20 1 1 A 121 121 ARG C C 121 174.321 175.120 -0.799 1
1 1430 . 20 1 1 A 121 121 ARG H H 121 9.012 8.381 0.631 1
1 1431 . 20 1 1 A 121 121 ARG HA H 121 4.488 5.215 -0.727 1
1 1438 . 20 1 1 A 122 122 ASP N N 122 121.600 125.052 -3.452 1
1 1439 . 20 1 1 A 122 122 ASP CA C 122 53.795 52.422 1.373 1
1 1440 . 20 1 1 A 122 122 ASP CB C 122 40.544 44.120 -3.576 1
1 1441 . 20 1 1 A 122 122 ASP C C 122 176.041 173.577 2.464 1
1 1442 . 20 1 1 A 122 122 ASP H H 122 8.226 7.960 0.266 1
1 1443 . 20 1 1 A 122 122 ASP HA H 122 4.791 5.105 -0.314 1
1 1446 . 20 1 1 A 123 123 LEU N N 123 120.700 124.970 -4.270 1
1 1447 . 20 1 1 A 123 123 LEU CA C 123 54.997 53.815 1.182 1
1 1448 . 20 1 1 A 123 123 LEU CB C 123 41.765 43.439 -1.674 1
1 1452 . 20 1 1 A 123 123 LEU C C 123 175.964 175.596 0.368 1
1 1453 . 20 1 1 A 123 123 LEU H H 123 8.436 8.657 -0.221 1
1 1454 . 20 1 1 A 123 123 LEU HA H 123 4.125 4.805 -0.680 1
1 1464 . 20 1 1 A 124 124 GLN N N 124 119.200 126.348 -7.148 1
1 1466 . 20 1 1 A 124 124 GLN CA C 124 53.278 55.168 -1.890 1
1 1467 . 20 1 1 A 124 124 GLN CB C 124 31.232 30.422 0.810 1
1 1469 . 20 1 1 A 124 124 GLN C C 124 175.183 175.075 0.108 1
1 1470 . 20 1 1 A 124 124 GLN H H 124 9.020 9.252 -0.232 1
1 1471 . 20 1 1 A 124 124 GLN HA H 124 4.738 4.870 -0.132 1
1 1478 . 20 1 1 A 125 125 SER N N 125 115.300 117.651 -2.351 1
1 1479 . 20 1 1 A 125 125 SER H H 125 8.543 8.625 -0.082 1
1 1480 . 20 1 1 A 125 125 SER CA C 125 58.477 58.848 -0.371 1
1 1481 . 20 1 1 A 125 125 SER CB C 125 63.274 63.170 0.104 1
1 1482 . 20 1 1 A 125 125 SER C C 125 174.609 174.655 -0.046 1
1 1483 . 20 1 1 A 125 125 SER HA H 125 4.235 4.360 -0.125 1
1 1486 . 20 1 1 A 126 126 ALA N N 126 126.900 128.684 -1.784 1
1 1487 . 20 1 1 A 126 126 ALA CA C 126 51.636 50.435 1.201 1
1 1488 . 20 1 1 A 126 126 ALA CB C 126 19.845 21.265 -1.420 1
1 1489 . 20 1 1 A 126 126 ALA C C 126 176.876 176.088 0.788 1
1 1490 . 20 1 1 A 126 126 ALA H H 126 8.640 8.758 -0.118 1
1 1491 . 20 1 1 A 126 126 ALA HA H 126 4.216 5.162 -0.946 1
1 1495 . 20 1 1 A 127 127 GLU N N 127 120.600 119.169 1.431 1
1 1496 . 20 1 1 A 127 127 GLU CA C 127 56.142 55.378 0.764 1
1 1497 . 20 1 1 A 127 127 GLU CB C 127 29.996 29.968 0.028 1
1 1499 . 20 1 1 A 127 127 GLU C C 127 175.129 175.142 -0.013 1
1 1500 . 20 1 1 A 127 127 GLU H H 127 8.204 8.922 -0.718 1
1 1501 . 20 1 1 A 127 127 GLU HA H 127 4.176 4.943 -0.767 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 126 1.458 1
2 1 1 1 "RMS(OBS, PRED)" CA 126 1.321 1
3 1 1 1 "RMS(OBS, PRED)" CB 118 2.497 1
4 1 1 1 "RMS(OBS, PRED)" H 119 0.553 1
5 1 1 1 "RMS(OBS, PRED)" HA 134 0.463 1
6 1 1 1 "RMS(OBS, PRED)" N 120 4.036 1
7 1 2 1 "RMS(OBS, PRED)" C 126 1.503 1
8 1 2 1 "RMS(OBS, PRED)" CA 126 1.327 1
9 1 2 1 "RMS(OBS, PRED)" CB 118 2.536 1
10 1 2 1 "RMS(OBS, PRED)" H 119 0.633 1
11 1 2 1 "RMS(OBS, PRED)" HA 134 0.444 1
12 1 2 1 "RMS(OBS, PRED)" N 120 3.980 1
13 1 3 1 "RMS(OBS, PRED)" C 126 1.478 1
14 1 3 1 "RMS(OBS, PRED)" CA 126 1.329 1
15 1 3 1 "RMS(OBS, PRED)" CB 118 2.578 1
16 1 3 1 "RMS(OBS, PRED)" H 119 0.556 1
17 1 3 1 "RMS(OBS, PRED)" HA 134 0.454 1
18 1 3 1 "RMS(OBS, PRED)" N 120 3.949 1
19 1 4 1 "RMS(OBS, PRED)" C 126 1.505 1
20 1 4 1 "RMS(OBS, PRED)" CA 126 1.411 1
21 1 4 1 "RMS(OBS, PRED)" CB 118 2.515 1
22 1 4 1 "RMS(OBS, PRED)" H 119 0.631 1
23 1 4 1 "RMS(OBS, PRED)" HA 134 0.456 1
24 1 4 1 "RMS(OBS, PRED)" N 120 4.211 1
25 1 5 1 "RMS(OBS, PRED)" C 126 1.439 1
26 1 5 1 "RMS(OBS, PRED)" CA 126 1.336 1
27 1 5 1 "RMS(OBS, PRED)" CB 118 2.551 1
28 1 5 1 "RMS(OBS, PRED)" H 119 0.575 1
29 1 5 1 "RMS(OBS, PRED)" HA 134 0.411 1
30 1 5 1 "RMS(OBS, PRED)" N 120 3.832 1
31 1 6 1 "RMS(OBS, PRED)" C 126 1.532 1
32 1 6 1 "RMS(OBS, PRED)" CA 126 1.400 1
33 1 6 1 "RMS(OBS, PRED)" CB 118 2.567 1
34 1 6 1 "RMS(OBS, PRED)" H 119 0.643 1
35 1 6 1 "RMS(OBS, PRED)" HA 134 0.505 1
36 1 6 1 "RMS(OBS, PRED)" N 120 3.974 1
37 1 7 1 "RMS(OBS, PRED)" C 126 1.474 1
38 1 7 1 "RMS(OBS, PRED)" CA 126 1.361 1
39 1 7 1 "RMS(OBS, PRED)" CB 118 2.492 1
40 1 7 1 "RMS(OBS, PRED)" H 119 0.611 1
41 1 7 1 "RMS(OBS, PRED)" HA 134 0.450 1
42 1 7 1 "RMS(OBS, PRED)" N 120 3.876 1
43 1 8 1 "RMS(OBS, PRED)" C 126 1.472 1
44 1 8 1 "RMS(OBS, PRED)" CA 126 1.353 1
45 1 8 1 "RMS(OBS, PRED)" CB 118 2.618 1
46 1 8 1 "RMS(OBS, PRED)" H 119 0.622 1
47 1 8 1 "RMS(OBS, PRED)" HA 134 0.504 1
48 1 8 1 "RMS(OBS, PRED)" N 120 4.006 1
49 1 9 1 "RMS(OBS, PRED)" C 126 1.487 1
50 1 9 1 "RMS(OBS, PRED)" CA 126 1.381 1
51 1 9 1 "RMS(OBS, PRED)" CB 118 2.499 1
52 1 9 1 "RMS(OBS, PRED)" H 119 0.639 1
53 1 9 1 "RMS(OBS, PRED)" HA 134 0.528 1
54 1 9 1 "RMS(OBS, PRED)" N 120 3.843 1
55 1 10 1 "RMS(OBS, PRED)" C 126 1.449 1
56 1 10 1 "RMS(OBS, PRED)" CA 126 1.368 1
57 1 10 1 "RMS(OBS, PRED)" CB 118 2.551 1
58 1 10 1 "RMS(OBS, PRED)" H 119 0.616 1
59 1 10 1 "RMS(OBS, PRED)" HA 134 0.448 1
60 1 10 1 "RMS(OBS, PRED)" N 120 3.965 1
61 1 11 1 "RMS(OBS, PRED)" C 126 1.438 1
62 1 11 1 "RMS(OBS, PRED)" CA 126 1.512 1
63 1 11 1 "RMS(OBS, PRED)" CB 118 2.577 1
64 1 11 1 "RMS(OBS, PRED)" H 119 0.563 1
65 1 11 1 "RMS(OBS, PRED)" HA 134 0.494 1
66 1 11 1 "RMS(OBS, PRED)" N 120 3.741 1
67 1 12 1 "RMS(OBS, PRED)" C 126 1.555 1
68 1 12 1 "RMS(OBS, PRED)" CA 126 1.390 1
69 1 12 1 "RMS(OBS, PRED)" CB 118 2.425 1
70 1 12 1 "RMS(OBS, PRED)" H 119 0.599 1
71 1 12 1 "RMS(OBS, PRED)" HA 134 0.492 1
72 1 12 1 "RMS(OBS, PRED)" N 120 3.929 1
73 1 13 1 "RMS(OBS, PRED)" C 126 1.591 1
74 1 13 1 "RMS(OBS, PRED)" CA 126 1.399 1
75 1 13 1 "RMS(OBS, PRED)" CB 118 2.458 1
76 1 13 1 "RMS(OBS, PRED)" H 119 0.657 1
77 1 13 1 "RMS(OBS, PRED)" HA 134 0.471 1
78 1 13 1 "RMS(OBS, PRED)" N 120 3.814 1
79 1 14 1 "RMS(OBS, PRED)" C 126 1.522 1
80 1 14 1 "RMS(OBS, PRED)" CA 126 1.363 1
81 1 14 1 "RMS(OBS, PRED)" CB 118 2.519 1
82 1 14 1 "RMS(OBS, PRED)" H 119 0.588 1
83 1 14 1 "RMS(OBS, PRED)" HA 134 0.453 1
84 1 14 1 "RMS(OBS, PRED)" N 120 3.654 1
85 1 15 1 "RMS(OBS, PRED)" C 126 1.508 1
86 1 15 1 "RMS(OBS, PRED)" CA 126 1.358 1
87 1 15 1 "RMS(OBS, PRED)" CB 118 2.431 1
88 1 15 1 "RMS(OBS, PRED)" H 119 0.584 1
89 1 15 1 "RMS(OBS, PRED)" HA 134 0.446 1
90 1 15 1 "RMS(OBS, PRED)" N 120 3.746 1
91 1 16 1 "RMS(OBS, PRED)" C 126 1.525 1
92 1 16 1 "RMS(OBS, PRED)" CA 126 1.461 1
93 1 16 1 "RMS(OBS, PRED)" CB 118 2.588 1
94 1 16 1 "RMS(OBS, PRED)" H 119 0.584 1
95 1 16 1 "RMS(OBS, PRED)" HA 134 0.436 1
96 1 16 1 "RMS(OBS, PRED)" N 120 3.890 1
97 1 17 1 "RMS(OBS, PRED)" C 126 1.463 1
98 1 17 1 "RMS(OBS, PRED)" CA 126 1.382 1
99 1 17 1 "RMS(OBS, PRED)" CB 118 2.441 1
100 1 17 1 "RMS(OBS, PRED)" H 119 0.569 1
101 1 17 1 "RMS(OBS, PRED)" HA 134 0.479 1
102 1 17 1 "RMS(OBS, PRED)" N 120 3.816 1
103 1 18 1 "RMS(OBS, PRED)" C 126 1.501 1
104 1 18 1 "RMS(OBS, PRED)" CA 126 1.376 1
105 1 18 1 "RMS(OBS, PRED)" CB 118 2.539 1
106 1 18 1 "RMS(OBS, PRED)" H 119 0.592 1
107 1 18 1 "RMS(OBS, PRED)" HA 134 0.475 1
108 1 18 1 "RMS(OBS, PRED)" N 120 3.891 1
109 1 19 1 "RMS(OBS, PRED)" C 126 1.478 1
110 1 19 1 "RMS(OBS, PRED)" CA 126 1.409 1
111 1 19 1 "RMS(OBS, PRED)" CB 118 2.502 1
112 1 19 1 "RMS(OBS, PRED)" H 119 0.609 1
113 1 19 1 "RMS(OBS, PRED)" HA 134 0.455 1
114 1 19 1 "RMS(OBS, PRED)" N 120 4.024 1
115 1 20 1 "RMS(OBS, PRED)" C 126 1.455 1
116 1 20 1 "RMS(OBS, PRED)" CA 126 1.327 1
117 1 20 1 "RMS(OBS, PRED)" CB 118 2.507 1
118 1 20 1 "RMS(OBS, PRED)" H 119 0.611 1
119 1 20 1 "RMS(OBS, PRED)" HA 134 0.422 1
120 1 20 1 "RMS(OBS, PRED)" N 120 3.420 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 12 . 1 1 A 2 2 LYS N N 2 123.200 119.434 3.766 2
1 13 . 1 1 A 2 2 LYS CA C 2 55.550 55.423 0.127 2
1 14 . 1 1 A 2 2 LYS CB C 2 31.730 32.862 -1.132 2
1 18 . 1 1 A 2 2 LYS H H 2 8.320 8.780 -0.460 2
1 19 . 1 1 A 2 2 LYS C C 2 176.041 176.121 -0.080 2
1 20 . 1 1 A 2 2 LYS HA H 2 4.413 4.715 -0.302 2
1 29 . 1 1 A 3 3 LEU N N 3 124.700 124.194 0.506 2
1 30 . 1 1 A 3 3 LEU CA C 3 53.800 55.820 -2.020 2
1 31 . 1 1 A 3 3 LEU CB C 3 43.351 43.204 0.147 2
1 35 . 1 1 A 3 3 LEU C C 3 173.289 176.844 -3.555 2
1 36 . 1 1 A 3 3 LEU H H 3 8.319 8.690 -0.370 2
1 37 . 1 1 A 3 3 LEU HA H 3 4.363 4.603 -0.240 2
1 47 . 1 1 A 4 4 GLY N N 4 102.100 106.911 -4.811 2
1 48 . 1 1 A 4 4 GLY CA C 4 44.232 44.510 -0.278 2
1 49 . 1 1 A 4 4 GLY C C 4 174.476 172.960 1.516 2
1 50 . 1 1 A 4 4 GLY H H 4 7.412 7.819 -0.407 2
1 51 . 1 1 A 4 4 GLY HA3 H 4 4.367 4.040 0.327 2
1 52 . 1 1 A 4 4 GLY HA2 H 4 3.662 4.034 -0.372 2
1 53 . 1 1 A 5 5 LYS N N 5 114.993 120.423 -5.430 2
1 54 . 1 1 A 5 5 LYS CA C 5 54.807 54.527 0.280 2
1 55 . 1 1 A 5 5 LYS CB C 5 36.664 36.736 -0.072 2
1 59 . 1 1 A 5 5 LYS C C 5 173.762 174.816 -1.054 2
1 60 . 1 1 A 5 5 LYS H H 5 8.748 8.352 0.396 2
1 61 . 1 1 A 5 5 LYS HA H 5 5.333 5.178 0.155 2
1 70 . 1 1 A 6 6 LEU N N 6 122.195 122.866 -0.671 2
1 71 . 1 1 A 6 6 LEU CA C 6 53.760 53.722 0.037 2
1 72 . 1 1 A 6 6 LEU CB C 6 47.948 44.729 3.219 2
1 76 . 1 1 A 6 6 LEU C C 6 172.524 175.054 -2.530 2
1 77 . 1 1 A 6 6 LEU H H 6 9.058 9.510 -0.452 2
1 78 . 1 1 A 6 6 LEU HA H 6 5.312 5.873 -0.561 2
1 88 . 1 1 A 7 7 GLN N N 7 127.800 126.038 1.762 2
1 90 . 1 1 A 7 7 GLN CA C 7 52.595 55.165 -2.570 2
1 91 . 1 1 A 7 7 GLN CB C 7 28.032 29.738 -1.707 2
1 93 . 1 1 A 7 7 GLN C C 7 173.707 175.081 -1.374 2
1 94 . 1 1 A 7 7 GLN H H 7 8.945 8.524 0.421 2
1 95 . 1 1 A 7 7 GLN HA H 7 5.170 5.163 0.007 2
1 102 . 1 1 A 8 8 TYR N N 8 125.700 122.592 3.108 2
1 103 . 1 1 A 8 8 TYR CA C 8 54.578 56.880 -2.302 2
1 104 . 1 1 A 8 8 TYR CB C 8 42.236 41.099 1.137 2
1 105 . 1 1 A 8 8 TYR C C 8 171.582 173.820 -2.238 2
1 106 . 1 1 A 8 8 TYR H H 8 8.445 8.714 -0.269 2
1 107 . 1 1 A 8 8 TYR HA H 8 5.401 5.193 0.208 2
1 110 . 1 1 A 9 9 SER N N 9 113.300 115.181 -1.881 2
1 111 . 1 1 A 9 9 SER H H 9 9.486 8.754 0.732 2
1 112 . 1 1 A 9 9 SER CA C 9 55.195 56.814 -1.619 2
1 113 . 1 1 A 9 9 SER CB C 9 67.116 65.154 1.962 2
1 114 . 1 1 A 9 9 SER C C 9 173.486 173.156 0.329 2
1 115 . 1 1 A 9 9 SER HA H 9 5.400 5.694 -0.294 2
1 118 . 1 1 A 10 10 LEU N N 10 120.700 126.590 -5.890 2
1 119 . 1 1 A 10 10 LEU CA C 10 53.388 53.456 -0.068 2
1 120 . 1 1 A 10 10 LEU CB C 10 46.946 44.674 2.272 2
1 121 . 1 1 A 10 10 LEU C C 10 174.640 175.159 -0.519 2
1 125 . 1 1 A 10 10 LEU H H 10 8.698 9.493 -0.795 2
1 126 . 1 1 A 10 10 LEU HA H 10 5.471 5.381 0.090 2
1 136 . 1 1 A 11 11 ASP N N 11 119.760 123.483 -3.723 2
1 137 . 1 1 A 11 11 ASP CA C 11 52.525 52.617 -0.092 2
1 138 . 1 1 A 11 11 ASP CB C 11 44.683 45.110 -0.427 2
1 139 . 1 1 A 11 11 ASP C C 11 173.093 174.041 -0.948 2
1 140 . 1 1 A 11 11 ASP H H 11 8.673 9.223 -0.550 2
1 141 . 1 1 A 11 11 ASP HA H 11 5.126 5.645 -0.519 2
1 144 . 1 1 A 12 12 TYR N N 12 124.200 119.117 5.083 2
1 145 . 1 1 A 12 12 TYR CA C 12 57.883 56.184 1.699 2
1 146 . 1 1 A 12 12 TYR CB C 12 40.054 41.637 -1.583 2
1 147 . 1 1 A 12 12 TYR C C 12 171.962 172.922 -0.960 2
1 148 . 1 1 A 12 12 TYR H H 12 8.898 8.990 -0.092 2
1 149 . 1 1 A 12 12 TYR HA H 12 4.609 5.545 -0.936 2
1 154 . 1 1 A 13 13 ASP N N 13 126.400 126.206 0.194 2
1 155 . 1 1 A 13 13 ASP CA C 13 51.141 52.688 -1.547 2
1 156 . 1 1 A 13 13 ASP CB C 13 40.891 41.213 -0.322 2
1 157 . 1 1 A 13 13 ASP C C 13 175.599 176.459 -0.860 2
1 158 . 1 1 A 13 13 ASP H H 13 8.018 8.549 -0.531 2
1 159 . 1 1 A 13 13 ASP HA H 13 4.591 4.603 -0.012 2
1 162 . 1 1 A 14 14 PHE N N 14 123.575 124.253 -0.678 2
1 163 . 1 1 A 14 14 PHE CA C 14 60.734 58.652 2.082 2
1 164 . 1 1 A 14 14 PHE CB C 14 38.821 38.761 0.060 2
1 165 . 1 1 A 14 14 PHE C C 14 176.704 176.060 0.644 2
1 166 . 1 1 A 14 14 PHE H H 14 8.540 7.963 0.577 2
1 167 . 1 1 A 14 14 PHE HA H 14 4.187 4.288 -0.101 2
1 170 . 1 1 A 15 15 GLN N N 15 118.500 116.920 1.580 2
1 172 . 1 1 A 15 15 GLN CA C 15 57.927 55.802 2.125 2
1 173 . 1 1 A 15 15 GLN CB C 15 28.129 27.759 0.370 2
1 175 . 1 1 A 15 15 GLN C C 15 176.646 176.631 0.015 2
1 176 . 1 1 A 15 15 GLN H H 15 8.307 7.361 0.946 2
1 177 . 1 1 A 15 15 GLN HA H 15 4.150 4.176 -0.026 2
1 184 . 1 1 A 16 16 ASN N N 16 113.392 116.687 -3.295 2
1 185 . 1 1 A 16 16 ASN CA C 16 52.051 51.864 0.187 2
1 186 . 1 1 A 16 16 ASN CB C 16 39.238 37.887 1.351 2
1 187 . 1 1 A 16 16 ASN C C 16 173.191 175.315 -2.124 2
1 188 . 1 1 A 16 16 ASN H H 16 7.347 7.627 -0.280 2
1 189 . 1 1 A 16 16 ASN HA H 16 4.682 4.668 0.014 2
1 195 . 1 1 A 17 17 ASN N N 17 118.200 116.118 2.082 2
1 196 . 1 1 A 17 17 ASN CA C 17 54.524 54.310 0.214 2
1 197 . 1 1 A 17 17 ASN CB C 17 36.825 37.051 -0.226 2
1 198 . 1 1 A 17 17 ASN C C 17 175.797 173.978 1.819 2
1 199 . 1 1 A 17 17 ASN H H 17 7.682 7.998 -0.316 2
1 200 . 1 1 A 17 17 ASN HA H 17 4.300 4.461 -0.161 2
1 206 . 1 1 A 18 18 GLN N N 18 110.518 115.092 -4.574 2
1 208 . 1 1 A 18 18 GLN CA C 18 52.888 54.266 -1.378 2
1 209 . 1 1 A 18 18 GLN CB C 18 31.353 31.894 -0.541 2
1 211 . 1 1 A 18 18 GLN C C 18 171.717 174.145 -2.428 2
1 212 . 1 1 A 18 18 GLN H H 18 6.757 7.634 -0.877 2
1 213 . 1 1 A 18 18 GLN HA H 18 4.911 5.010 -0.099 2
1 220 . 1 1 A 19 19 LEU N N 19 124.400 124.832 -0.432 2
1 221 . 1 1 A 19 19 LEU CA C 19 53.873 54.254 -0.381 2
1 222 . 1 1 A 19 19 LEU CB C 19 44.558 42.477 2.080 2
1 226 . 1 1 A 19 19 LEU C C 19 173.731 175.967 -2.236 2
1 227 . 1 1 A 19 19 LEU H H 19 9.048 8.494 0.554 2
1 228 . 1 1 A 19 19 LEU HA H 19 4.543 4.696 -0.153 2
1 238 . 1 1 A 20 20 LEU N N 20 128.415 124.244 4.171 2
1 239 . 1 1 A 20 20 LEU CA C 20 53.695 53.717 -0.022 2
1 240 . 1 1 A 20 20 LEU CB C 20 41.956 45.544 -3.588 2
1 244 . 1 1 A 20 20 LEU C C 20 175.696 174.883 0.813 2
1 245 . 1 1 A 20 20 LEU H H 20 9.021 9.368 -0.347 2
1 246 . 1 1 A 20 20 LEU HA H 20 4.852 5.174 -0.322 2
1 256 . 1 1 A 21 21 VAL N N 21 125.838 125.291 0.547 2
1 257 . 1 1 A 21 21 VAL CA C 21 60.511 61.147 -0.636 2
1 258 . 1 1 A 21 21 VAL CB C 21 45.331 32.937 12.394 2
1 260 . 1 1 A 21 21 VAL C C 21 173.979 174.746 -0.767 2
1 261 . 1 1 A 21 21 VAL H H 21 9.073 8.993 0.080 2
1 262 . 1 1 A 21 21 VAL HA H 21 4.853 4.662 0.191 2
1 270 . 1 1 A 22 22 GLY N N 22 117.254 113.858 3.396 2
1 271 . 1 1 A 22 22 GLY CA C 22 43.843 45.831 -1.988 2
1 272 . 1 1 A 22 22 GLY C C 22 172.485 174.174 -1.689 2
1 273 . 1 1 A 22 22 GLY H H 22 9.486 8.875 0.611 2
1 274 . 1 1 A 22 22 GLY HA3 H 22 4.653 4.099 0.554 2
1 275 . 1 1 A 22 22 GLY HA2 H 22 3.520 4.011 -0.491 2
1 276 . 1 1 A 23 23 ILE N N 23 125.106 122.967 2.139 2
1 277 . 1 1 A 23 23 ILE CA C 23 58.182 60.158 -1.976 2
1 278 . 1 1 A 23 23 ILE CB C 23 35.290 38.536 -3.246 2
1 282 . 1 1 A 23 23 ILE C C 23 174.346 176.068 -1.722 2
1 283 . 1 1 A 23 23 ILE H H 23 8.831 8.377 0.454 2
1 284 . 1 1 A 23 23 ILE HA H 23 4.330 4.748 -0.418 2
1 294 . 1 1 A 24 24 ILE N N 24 126.735 121.404 5.331 2
1 295 . 1 1 A 24 24 ILE CA C 24 65.005 62.615 2.390 2
1 296 . 1 1 A 24 24 ILE CB C 24 37.790 38.559 -0.769 2
1 300 . 1 1 A 24 24 ILE C C 24 177.149 176.087 1.062 2
1 301 . 1 1 A 24 24 ILE H H 24 8.365 8.397 -0.032 2
1 302 . 1 1 A 24 24 ILE HA H 24 3.903 4.186 -0.284 2
1 312 . 1 1 A 25 25 GLN N N 25 110.662 115.678 -5.016 2
1 314 . 1 1 A 25 25 GLN CA C 25 54.295 54.745 -0.450 2
1 315 . 1 1 A 25 25 GLN CB C 25 30.953 32.151 -1.198 2
1 317 . 1 1 A 25 25 GLN C C 25 171.152 173.450 -2.298 2
1 318 . 1 1 A 25 25 GLN H H 25 7.706 7.633 0.073 2
1 319 . 1 1 A 25 25 GLN HA H 25 5.123 4.753 0.370 2
1 325 . 1 1 A 26 26 ALA N N 26 121.300 123.939 -2.639 2
1 326 . 1 1 A 26 26 ALA CA C 26 49.951 50.228 -0.277 2
1 327 . 1 1 A 26 26 ALA CB C 26 22.406 22.457 -0.051 2
1 328 . 1 1 A 26 26 ALA C C 26 171.937 175.826 -3.889 2
1 329 . 1 1 A 26 26 ALA H H 26 9.195 8.492 0.703 2
1 330 . 1 1 A 26 26 ALA HA H 26 5.740 5.893 -0.153 2
1 334 . 1 1 A 27 27 ALA N N 27 120.100 121.704 -1.605 2
1 335 . 1 1 A 27 27 ALA CA C 27 50.524 50.733 -0.209 2
1 336 . 1 1 A 27 27 ALA CB C 27 24.047 21.485 2.562 2
1 337 . 1 1 A 27 27 ALA C C 27 174.984 176.828 -1.844 2
1 338 . 1 1 A 27 27 ALA H H 27 9.118 8.592 0.526 2
1 339 . 1 1 A 27 27 ALA HA H 27 5.353 4.797 0.556 2
1 343 . 1 1 A 28 28 GLU N N 28 112.600 119.716 -7.116 2
1 344 . 1 1 A 28 28 GLU CA C 28 56.032 57.313 -1.281 2
1 345 . 1 1 A 28 28 GLU CB C 28 25.966 27.553 -1.587 2
1 347 . 1 1 A 28 28 GLU C C 28 174.427 175.594 -1.167 2
1 348 . 1 1 A 28 28 GLU H H 28 8.453 8.673 -0.220 2
1 349 . 1 1 A 28 28 GLU HA H 28 3.648 3.822 -0.174 2
1 354 . 1 1 A 29 29 LEU N N 29 116.093 120.544 -4.451 2
1 355 . 1 1 A 29 29 LEU CA C 29 53.295 52.659 0.636 2
1 356 . 1 1 A 29 29 LEU CB C 29 39.640 41.400 -1.760 2
1 360 . 1 1 A 29 29 LEU C C 29 173.800 174.614 -0.814 2
1 361 . 1 1 A 29 29 LEU H H 29 7.951 8.209 -0.258 2
1 362 . 1 1 A 29 29 LEU HA H 29 4.330 4.725 -0.395 2
1 372 . 1 1 A 30 30 PRO CA C 30 61.760 62.767 -1.007 2
1 373 . 1 1 A 30 30 PRO CB C 30 31.492 32.041 -0.549 2
1 376 . 1 1 A 30 30 PRO C C 30 175.525 176.547 -1.022 2
1 377 . 1 1 A 30 30 PRO HA H 30 4.327 4.479 -0.152 2
1 383 . 1 1 A 31 31 ALA N N 31 122.487 124.500 -2.013 2
1 384 . 1 1 A 31 31 ALA CA C 31 50.604 52.215 -1.611 2
1 385 . 1 1 A 31 31 ALA CB C 31 18.576 19.613 -1.037 2
1 386 . 1 1 A 31 31 ALA C C 31 177.222 177.615 -0.393 2
1 387 . 1 1 A 31 31 ALA H H 31 8.128 8.354 -0.226 2
1 388 . 1 1 A 31 31 ALA HA H 31 4.130 4.535 -0.405 2
1 392 . 1 1 A 32 32 LEU N N 32 124.400 123.328 1.072 2
1 393 . 1 1 A 32 32 LEU CA C 32 55.041 53.812 1.229 2
1 394 . 1 1 A 32 32 LEU CB C 32 42.916 41.996 0.920 2
1 398 . 1 1 A 32 32 LEU C C 32 176.852 175.000 1.852 2
1 399 . 1 1 A 32 32 LEU H H 32 8.035 8.712 -0.677 2
1 400 . 1 1 A 32 32 LEU HA H 32 4.240 4.679 -0.439 2
1 410 . 1 1 A 33 33 ASP N N 33 119.800 120.022 -0.222 2
1 411 . 1 1 A 33 33 ASP CA C 33 52.948 53.208 -0.260 2
1 412 . 1 1 A 33 33 ASP CB C 33 41.578 44.852 -3.275 2
1 413 . 1 1 A 33 33 ASP C C 33 176.200 174.271 1.929 2
1 414 . 1 1 A 33 33 ASP H H 33 8.400 7.258 1.142 2
1 415 . 1 1 A 33 33 ASP HA H 33 4.785 5.084 -0.299 2
1 418 . 1 1 A 34 34 MET N N 34 120.000 122.037 -2.037 2
1 419 . 1 1 A 34 34 MET CA C 34 56.561 54.705 1.856 2
1 420 . 1 1 A 34 34 MET CB C 34 31.288 30.810 0.478 2
1 422 . 1 1 A 34 34 MET C C 34 176.483 176.359 0.124 2
1 423 . 1 1 A 34 34 MET H H 34 8.492 8.656 -0.164 2
1 424 . 1 1 A 34 34 MET HA H 34 4.213 4.541 -0.328 2
1 429 . 1 1 A 35 35 GLY N N 35 110.400 109.153 1.247 2
1 430 . 1 1 A 35 35 GLY CA C 35 44.884 45.428 -0.544 2
1 431 . 1 1 A 35 35 GLY C C 35 174.831 175.136 -0.304 2
1 432 . 1 1 A 35 35 GLY H H 35 8.668 8.232 0.436 2
1 433 . 1 1 A 35 35 GLY HA3 H 35 4.039 4.079 -0.040 2
1 434 . 1 1 A 35 35 GLY HA2 H 35 3.818 4.074 -0.256 2
1 435 . 1 1 A 36 36 GLY N N 36 107.400 109.593 -2.193 2
1 436 . 1 1 A 36 36 GLY CA C 36 45.427 46.684 -1.258 2
1 437 . 1 1 A 36 36 GLY C C 36 173.194 173.634 -0.440 2
1 438 . 1 1 A 36 36 GLY H H 36 8.008 7.866 0.142 2
1 439 . 1 1 A 36 36 GLY HA3 H 36 4.000 3.942 0.058 2
1 440 . 1 1 A 36 36 GLY HA2 H 36 3.861 3.940 -0.079 2
1 441 . 1 1 A 37 37 THR N N 37 111.100 110.283 0.817 2
1 442 . 1 1 A 37 37 THR CA C 37 59.954 59.665 0.289 2
1 443 . 1 1 A 37 37 THR CB C 37 70.589 72.753 -2.164 2
1 445 . 1 1 A 37 37 THR C C 37 171.355 172.654 -1.299 2
1 446 . 1 1 A 37 37 THR H H 37 7.476 7.538 -0.062 2
1 447 . 1 1 A 37 37 THR HA H 37 4.511 5.073 -0.562 2
1 450 . 1 1 A 38 38 SER N N 38 115.811 115.533 0.278 2
1 451 . 1 1 A 38 38 SER CA C 38 57.664 56.479 1.185 2
1 452 . 1 1 A 38 38 SER CB C 38 70.510 66.295 4.215 2
1 453 . 1 1 A 38 38 SER C C 38 170.198 173.131 -2.933 2
1 454 . 1 1 A 38 38 SER H H 38 7.257 8.962 -1.705 2
1 455 . 1 1 A 38 38 SER HA H 38 4.707 5.309 -0.602 2
1 458 . 1 1 A 39 39 ASP N N 39 121.288 121.918 -0.630 2
1 459 . 1 1 A 39 39 ASP CA C 39 51.058 51.719 -0.661 2
1 460 . 1 1 A 39 39 ASP CB C 39 42.210 41.921 0.289 2
1 461 . 1 1 A 39 39 ASP C C 39 172.500 173.607 -1.107 2
1 462 . 1 1 A 39 39 ASP H H 39 8.698 8.934 -0.236 2
1 463 . 1 1 A 39 39 ASP HA H 39 5.940 6.114 -0.174 2
1 466 . 1 1 A 40 40 PRO CA C 40 62.440 63.081 -0.641 2
1 467 . 1 1 A 40 40 PRO CB C 40 34.370 32.832 1.538 2
1 470 . 1 1 A 40 40 PRO C C 40 176.317 175.736 0.581 2
1 471 . 1 1 A 40 40 PRO HA H 40 5.826 4.830 0.996 2
1 478 . 1 1 A 41 41 TYR N N 41 113.769 121.284 -7.515 2
1 479 . 1 1 A 41 41 TYR CA C 41 56.150 57.485 -1.335 2
1 480 . 1 1 A 41 41 TYR CB C 41 40.246 41.503 -1.257 2
1 481 . 1 1 A 41 41 TYR C C 41 171.425 173.206 -1.781 2
1 482 . 1 1 A 41 41 TYR H H 41 8.703 8.871 -0.168 2
1 483 . 1 1 A 41 41 TYR HA H 41 4.795 5.082 -0.287 2
1 487 . 1 1 A 42 42 VAL N N 42 119.919 124.381 -4.462 2
1 488 . 1 1 A 42 42 VAL CA C 42 60.064 61.313 -1.249 2
1 489 . 1 1 A 42 42 VAL CB C 42 33.816 32.689 1.127 2
1 492 . 1 1 A 42 42 VAL C C 42 174.456 175.012 -0.556 2
1 493 . 1 1 A 42 42 VAL HA H 42 5.020 4.711 0.309 2
1 501 . 1 1 A 43 43 LYS N N 43 125.776 126.740 -0.964 2
1 502 . 1 1 A 43 43 LYS CA C 43 54.601 55.544 -0.943 2
1 503 . 1 1 A 43 43 LYS CB C 43 36.096 33.247 2.849 2
1 507 . 1 1 A 43 43 LYS C C 43 174.518 175.304 -0.786 2
1 508 . 1 1 A 43 43 LYS H H 43 9.415 9.300 0.115 2
1 509 . 1 1 A 43 43 LYS HA H 43 5.374 4.546 0.828 2
1 518 . 1 1 A 44 44 VAL N N 44 121.484 123.809 -2.325 2
1 519 . 1 1 A 44 44 VAL CA C 44 59.365 60.752 -1.387 2
1 520 . 1 1 A 44 44 VAL CB C 44 34.818 33.195 1.623 2
1 523 . 1 1 A 44 44 VAL C C 44 173.928 174.835 -0.907 2
1 524 . 1 1 A 44 44 VAL H H 44 8.845 8.402 0.443 2
1 525 . 1 1 A 44 44 VAL HA H 44 5.326 4.693 0.633 2
1 533 . 1 1 A 45 45 PHE N N 45 120.600 124.296 -3.696 2
1 534 . 1 1 A 45 45 PHE CA C 45 55.886 55.975 -0.089 2
1 535 . 1 1 A 45 45 PHE CB C 45 39.882 43.180 -3.298 2
1 536 . 1 1 A 45 45 PHE C C 45 171.102 173.686 -2.584 2
1 537 . 1 1 A 45 45 PHE H H 45 8.254 8.836 -0.582 2
1 538 . 1 1 A 45 45 PHE HA H 45 4.971 5.321 -0.350 2
1 541 . 1 1 A 46 46 LEU N N 46 121.444 120.845 0.599 2
1 542 . 1 1 A 46 46 LEU CA C 46 52.376 53.560 -1.184 2
1 543 . 1 1 A 46 46 LEU CB C 46 43.229 45.477 -2.248 2
1 547 . 1 1 A 46 46 LEU C C 46 176.176 175.852 0.324 2
1 548 . 1 1 A 46 46 LEU H H 46 9.137 9.039 0.098 2
1 549 . 1 1 A 46 46 LEU HA H 46 4.189 5.206 -1.017 2
1 559 . 1 1 A 47 47 LEU N N 47 123.900 122.699 1.201 2
1 560 . 1 1 A 47 47 LEU CA C 47 52.926 52.726 0.200 2
1 561 . 1 1 A 47 47 LEU CB C 47 41.010 42.688 -1.678 2
1 565 . 1 1 A 47 47 LEU C C 47 175.800 177.415 -1.615 2
1 566 . 1 1 A 47 47 LEU H H 47 8.945 8.499 0.446 2
1 567 . 1 1 A 47 47 LEU HA H 47 4.185 4.671 -0.486 2
1 577 . 1 1 A 48 48 PRO CA C 48 62.992 65.313 -2.321 2
1 578 . 1 1 A 48 48 PRO CB C 48 24.080 31.889 -7.809 2
1 581 . 1 1 A 48 48 PRO C C 48 176.188 177.762 -1.574 2
1 582 . 1 1 A 48 48 PRO HA H 48 4.474 4.246 0.228 2
1 588 . 1 1 A 49 49 ASP N N 49 113.800 116.611 -2.811 2
1 589 . 1 1 A 49 49 ASP CA C 49 55.199 56.821 -1.622 2
1 590 . 1 1 A 49 49 ASP CB C 49 40.158 41.252 -1.094 2
1 591 . 1 1 A 49 49 ASP C C 49 175.304 176.055 -0.751 2
1 592 . 1 1 A 49 49 ASP H H 49 8.467 8.875 -0.408 2
1 593 . 1 1 A 49 49 ASP HA H 49 4.576 4.445 0.131 2
1 596 . 1 1 A 50 50 LYS N N 50 120.081 118.389 1.692 2
1 597 . 1 1 A 50 50 LYS CA C 50 56.803 57.176 -0.373 2
1 598 . 1 1 A 50 50 LYS CB C 50 32.059 30.598 1.461 2
1 602 . 1 1 A 50 50 LYS H H 50 8.329 7.999 0.330 2
1 603 . 1 1 A 50 50 LYS HA H 50 3.949 4.032 -0.083 2
1 604 . 1 1 A 50 50 LYS C C 50 175.754 176.495 -0.741 2
1 613 . 1 1 A 51 51 LYS N N 51 117.896 118.326 -0.430 2
1 614 . 1 1 A 51 51 LYS CA C 51 57.360 56.073 1.287 2
1 615 . 1 1 A 51 51 LYS CB C 51 32.230 32.189 0.041 2
1 619 . 1 1 A 51 51 LYS H H 51 8.099 8.330 -0.231 2
1 620 . 1 1 A 51 51 LYS HA H 51 3.950 4.484 -0.533 2
1 621 . 1 1 A 51 51 LYS C C 51 176.619 175.543 1.076 2
1 630 . 1 1 A 52 52 LYS N N 52 120.200 118.936 1.264 2
1 631 . 1 1 A 52 52 LYS CA C 52 54.688 55.238 -0.550 2
1 632 . 1 1 A 52 52 LYS CB C 52 31.829 33.471 -1.642 2
1 636 . 1 1 A 52 52 LYS H H 52 7.447 7.714 -0.267 2
1 637 . 1 1 A 52 52 LYS HA H 52 4.259 4.732 -0.473 2
1 638 . 1 1 A 52 52 LYS C C 52 173.420 174.957 -1.537 2
1 647 . 1 1 A 53 53 LYS N N 53 123.119 125.877 -2.758 2
1 648 . 1 1 A 53 53 LYS CA C 53 53.698 55.768 -2.070 2
1 649 . 1 1 A 53 53 LYS CB C 53 41.592 33.000 8.592 2
1 653 . 1 1 A 53 53 LYS H H 53 7.810 8.771 -0.961 2
1 654 . 1 1 A 53 53 LYS HA H 53 5.004 4.818 0.186 2
1 655 . 1 1 A 53 53 LYS C C 53 174.468 175.562 -1.094 2
1 664 . 1 1 A 54 54 PHE N N 54 120.200 125.528 -5.328 2
1 665 . 1 1 A 54 54 PHE CA C 54 56.583 56.496 0.087 2
1 666 . 1 1 A 54 54 PHE CB C 54 42.110 42.248 -0.138 2
1 667 . 1 1 A 54 54 PHE C C 54 173.801 174.407 -0.606 2
1 668 . 1 1 A 54 54 PHE H H 54 8.490 8.664 -0.174 2
1 669 . 1 1 A 54 54 PHE HA H 54 4.680 5.176 -0.496 2
1 672 . 1 1 A 55 55 GLU N N 55 117.600 122.161 -4.561 2
1 673 . 1 1 A 55 55 GLU CA C 55 53.537 55.408 -1.871 2
1 674 . 1 1 A 55 55 GLU CB C 55 33.241 32.784 0.457 2
1 676 . 1 1 A 55 55 GLU C C 55 176.694 175.098 1.596 2
1 677 . 1 1 A 55 55 GLU H H 55 8.309 8.262 0.047 2
1 678 . 1 1 A 55 55 GLU HA H 55 5.690 4.712 0.978 2
1 683 . 1 1 A 56 56 THR N N 56 111.700 118.699 -6.999 2
1 684 . 1 1 A 56 56 THR CA C 56 60.989 61.446 -0.457 2
1 685 . 1 1 A 56 56 THR CB C 56 71.860 69.943 1.917 2
1 687 . 1 1 A 56 56 THR C C 56 174.385 174.195 0.190 2
1 688 . 1 1 A 56 56 THR H H 56 8.775 8.371 0.404 2
1 689 . 1 1 A 56 56 THR HA H 56 4.838 4.633 0.205 2
1 692 . 1 1 A 57 57 LYS N N 57 119.500 123.158 -3.658 2
1 693 . 1 1 A 57 57 LYS CA C 57 56.775 56.128 0.647 2
1 694 . 1 1 A 57 57 LYS CB C 57 32.743 32.925 -0.182 2
1 698 . 1 1 A 57 57 LYS H H 57 9.787 7.924 1.863 2
1 699 . 1 1 A 57 57 LYS HA H 57 4.151 4.277 -0.126 2
1 700 . 1 1 A 57 57 LYS C C 57 177.417 176.001 1.416 2
1 709 . 1 1 A 58 58 VAL N N 58 123.100 123.467 -0.367 2
1 710 . 1 1 A 58 58 VAL CA C 58 61.870 61.909 -0.039 2
1 711 . 1 1 A 58 58 VAL CB C 58 32.081 32.398 -0.317 2
1 714 . 1 1 A 58 58 VAL C C 58 176.850 174.988 1.862 2
1 715 . 1 1 A 58 58 VAL H H 58 8.120 8.386 -0.266 2
1 716 . 1 1 A 58 58 VAL HA H 58 4.284 4.342 -0.058 2
1 724 . 1 1 A 59 59 HIS N N 59 128.800 126.549 2.251 2
1 725 . 1 1 A 59 59 HIS CA C 59 54.311 54.778 -0.467 2
1 726 . 1 1 A 59 59 HIS CB C 59 30.426 29.280 1.146 2
1 727 . 1 1 A 59 59 HIS C C 59 172.101 174.848 -2.747 2
1 728 . 1 1 A 59 59 HIS H H 59 8.550 8.622 -0.072 2
1 729 . 1 1 A 59 59 HIS HA H 59 4.457 4.991 -0.534 2
1 732 . 1 1 A 60 60 ARG N N 60 118.700 123.321 -4.621 2
1 733 . 1 1 A 60 60 ARG CA C 60 55.702 56.336 -0.634 2
1 734 . 1 1 A 60 60 ARG CB C 60 30.713 30.342 0.371 2
1 737 . 1 1 A 60 60 ARG C C 60 176.252 176.157 0.095 2
1 738 . 1 1 A 60 60 ARG H H 60 8.211 8.564 -0.353 2
1 739 . 1 1 A 60 60 ARG HA H 60 4.389 4.600 -0.211 2
1 746 . 1 1 A 61 61 LYS N N 61 122.500 118.748 3.752 2
1 747 . 1 1 A 61 61 LYS CA C 61 55.977 57.123 -1.146 2
1 748 . 1 1 A 61 61 LYS CB C 61 29.711 29.563 0.148 2
1 752 . 1 1 A 61 61 LYS H H 61 9.608 9.088 0.520 2
1 753 . 1 1 A 61 61 LYS HA H 61 3.946 4.005 -0.059 2
1 754 . 1 1 A 61 61 LYS C C 61 175.083 175.012 0.071 2
1 763 . 1 1 A 62 62 THR N N 62 113.400 110.078 3.322 2
1 764 . 1 1 A 62 62 THR CA C 62 59.755 60.506 -0.751 2
1 765 . 1 1 A 62 62 THR CB C 62 63.417 71.687 -8.270 2
1 767 . 1 1 A 62 62 THR C C 62 170.120 173.870 -3.750 2
1 768 . 1 1 A 62 62 THR H H 62 8.470 7.775 0.695 2
1 769 . 1 1 A 62 62 THR HA H 62 4.703 4.811 -0.108 2
1 772 . 1 1 A 63 63 LEU N N 63 123.100 125.881 -2.781 2
1 773 . 1 1 A 63 63 LEU CA C 63 52.833 55.265 -2.432 2
1 774 . 1 1 A 63 63 LEU CB C 63 40.311 42.123 -1.812 2
1 778 . 1 1 A 63 63 LEU C C 63 175.135 176.672 -1.537 2
1 779 . 1 1 A 63 63 LEU H H 63 8.257 8.711 -0.454 2
1 780 . 1 1 A 63 63 LEU HA H 63 4.483 4.458 0.025 2
1 790 . 1 1 A 64 64 ASN N N 64 114.829 118.079 -3.250 2
1 792 . 1 1 A 64 64 ASN CA C 64 50.610 50.405 0.205 2
1 793 . 1 1 A 64 64 ASN CB C 64 40.550 38.922 1.628 2
1 794 . 1 1 A 64 64 ASN C C 64 171.500 173.067 -1.567 2
1 795 . 1 1 A 64 64 ASN H H 64 8.306 7.996 0.310 2
1 796 . 1 1 A 64 64 ASN HA H 64 5.450 5.192 0.258 2
1 801 . 1 1 A 65 65 PRO CA C 65 61.914 62.121 -0.207 2
1 802 . 1 1 A 65 65 PRO CB C 65 30.780 32.330 -1.550 2
1 805 . 1 1 A 65 65 PRO C C 65 173.852 175.959 -2.107 2
1 806 . 1 1 A 65 65 PRO HA H 65 3.970 4.772 -0.802 2
1 813 . 1 1 A 66 66 VAL N N 66 121.000 118.844 2.156 2
1 814 . 1 1 A 66 66 VAL CA C 66 61.782 60.295 1.487 2
1 815 . 1 1 A 66 66 VAL CB C 66 32.721 34.041 -1.320 2
1 818 . 1 1 A 66 66 VAL C C 66 175.152 175.744 -0.592 2
1 819 . 1 1 A 66 66 VAL H H 66 7.926 8.210 -0.284 2
1 820 . 1 1 A 66 66 VAL HA H 66 3.807 4.652 -0.845 2
1 828 . 1 1 A 67 67 PHE N N 67 123.400 127.162 -3.761 2
1 829 . 1 1 A 67 67 PHE CA C 67 59.262 60.633 -1.371 2
1 830 . 1 1 A 67 67 PHE CB C 67 39.849 39.940 -0.091 2
1 831 . 1 1 A 67 67 PHE C C 67 175.748 175.626 0.122 2
1 832 . 1 1 A 67 67 PHE H H 67 8.150 8.931 -0.781 2
1 833 . 1 1 A 67 67 PHE HA H 67 4.378 4.414 -0.036 2
1 836 . 1 1 A 68 68 ASN N N 68 117.500 116.600 0.900 2
1 837 . 1 1 A 68 68 ASN CA C 68 53.983 54.084 -0.101 2
1 838 . 1 1 A 68 68 ASN CB C 68 37.351 36.583 0.768 2
1 839 . 1 1 A 68 68 ASN C C 68 173.314 174.429 -1.115 2
1 840 . 1 1 A 68 68 ASN H H 68 8.920 8.832 0.088 2
1 841 . 1 1 A 68 68 ASN HA H 68 4.350 5.126 -0.776 2
1 847 . 1 1 A 69 69 GLU N N 69 116.000 119.152 -3.152 2
1 848 . 1 1 A 69 69 GLU CA C 69 55.742 55.233 0.509 2
1 849 . 1 1 A 69 69 GLU CB C 69 34.663 32.234 2.429 2
1 851 . 1 1 A 69 69 GLU C C 69 174.165 174.894 -0.729 2
1 852 . 1 1 A 69 69 GLU H H 69 7.931 7.967 -0.036 2
1 853 . 1 1 A 69 69 GLU HA H 69 4.638 4.968 -0.330 2
1 858 . 1 1 A 70 70 GLN N N 70 121.500 125.622 -4.122 2
1 860 . 1 1 A 70 70 GLN CA C 70 53.807 55.430 -1.623 2
1 861 . 1 1 A 70 70 GLN CB C 70 31.750 29.519 2.231 2
1 863 . 1 1 A 70 70 GLN C C 70 173.068 174.843 -1.775 2
1 864 . 1 1 A 70 70 GLN H H 70 8.174 8.746 -0.572 2
1 865 . 1 1 A 70 70 GLN HA H 70 4.985 4.661 0.324 2
1 872 . 1 1 A 71 71 PHE N N 71 124.300 124.205 0.095 2
1 873 . 1 1 A 71 71 PHE CA C 71 55.249 56.362 -1.113 2
1 874 . 1 1 A 71 71 PHE CB C 71 42.133 39.250 2.883 2
1 875 . 1 1 A 71 71 PHE C C 71 173.570 174.730 -1.160 2
1 876 . 1 1 A 71 71 PHE H H 71 9.040 8.715 0.325 2
1 877 . 1 1 A 71 71 PHE HA H 71 4.528 4.685 -0.157 2
1 880 . 1 1 A 72 72 THR N N 72 114.000 119.067 -5.067 2
1 881 . 1 1 A 72 72 THR CA C 72 59.491 62.861 -3.370 2
1 882 . 1 1 A 72 72 THR CB C 72 70.623 69.358 1.265 2
1 884 . 1 1 A 72 72 THR C C 72 172.834 173.600 -0.766 2
1 885 . 1 1 A 72 72 THR H H 72 7.763 8.373 -0.610 2
1 886 . 1 1 A 72 72 THR HA H 72 5.212 4.320 0.892 2
1 889 . 1 1 A 73 73 PHE N N 73 120.900 125.519 -4.619 2
1 890 . 1 1 A 73 73 PHE CA C 73 56.071 56.044 0.027 2
1 891 . 1 1 A 73 73 PHE CB C 73 41.570 40.298 1.272 2
1 892 . 1 1 A 73 73 PHE C C 73 174.890 174.599 0.291 2
1 893 . 1 1 A 73 73 PHE H H 73 8.983 9.032 -0.049 2
1 894 . 1 1 A 73 73 PHE HA H 73 4.750 5.136 -0.386 2
1 897 . 1 1 A 74 74 LYS N N 74 127.500 125.067 2.433 2
1 898 . 1 1 A 74 74 LYS CA C 74 56.186 55.799 0.387 2
1 899 . 1 1 A 74 74 LYS CB C 74 30.577 31.393 -0.816 2
1 903 . 1 1 A 74 74 LYS C C 74 174.575 175.126 -0.551 2
1 904 . 1 1 A 74 74 LYS H H 74 9.063 8.718 0.345 2
1 905 . 1 1 A 74 74 LYS HA H 74 4.690 4.526 0.164 2
1 914 . 1 1 A 75 75 VAL N N 75 126.600 122.696 3.904 2
1 915 . 1 1 A 75 75 VAL CA C 75 57.737 58.600 -0.863 2
1 916 . 1 1 A 75 75 VAL CB C 75 35.160 35.123 0.037 2
1 919 . 1 1 A 75 75 VAL C C 75 171.500 173.814 -2.314 2
1 920 . 1 1 A 75 75 VAL H H 75 7.546 8.184 -0.638 2
1 921 . 1 1 A 75 75 VAL HA H 75 4.650 4.663 -0.013 2
1 929 . 1 1 A 76 76 PRO CA C 76 62.476 62.758 -0.282 2
1 930 . 1 1 A 76 76 PRO CB C 76 32.143 32.687 -0.543 2
1 933 . 1 1 A 76 76 PRO C C 76 176.991 177.230 -0.239 2
1 934 . 1 1 A 76 76 PRO HA H 76 4.329 4.750 -0.421 2
1 941 . 1 1 A 77 77 TYR N N 77 128.500 125.259 3.241 2
1 942 . 1 1 A 77 77 TYR CA C 77 61.772 60.855 0.917 2
1 943 . 1 1 A 77 77 TYR CB C 77 37.898 37.627 0.271 2
1 944 . 1 1 A 77 77 TYR C C 77 177.516 177.359 0.157 2
1 945 . 1 1 A 77 77 TYR H H 77 8.626 9.044 -0.418 2
1 946 . 1 1 A 77 77 TYR HA H 77 3.403 4.101 -0.698 2
1 950 . 1 1 A 78 78 SER N N 78 110.600 116.074 -5.474 2
1 951 . 1 1 A 78 78 SER H H 78 8.509 7.981 0.528 2
1 952 . 1 1 A 78 78 SER CA C 78 60.064 61.385 -1.321 2
1 953 . 1 1 A 78 78 SER CB C 78 62.022 62.575 -0.553 2
1 954 . 1 1 A 78 78 SER C C 78 175.292 176.171 -0.879 2
1 955 . 1 1 A 78 78 SER HA H 78 3.940 4.032 -0.092 2
1 958 . 1 1 A 79 79 GLU N N 79 119.000 121.163 -2.163 2
1 959 . 1 1 A 79 79 GLU CA C 79 55.273 57.033 -1.760 2
1 960 . 1 1 A 79 79 GLU CB C 79 30.302 29.940 0.362 2
1 962 . 1 1 A 79 79 GLU C C 79 177.218 178.783 -1.565 2
1 963 . 1 1 A 79 79 GLU H H 79 7.411 7.694 -0.283 2
1 964 . 1 1 A 79 79 GLU HA H 79 4.280 4.225 0.055 2
1 969 . 1 1 A 80 80 LEU N N 80 121.600 122.101 -0.501 2
1 970 . 1 1 A 80 80 LEU CA C 80 57.376 57.859 -0.483 2
1 971 . 1 1 A 80 80 LEU CB C 80 41.916 41.731 0.185 2
1 975 . 1 1 A 80 80 LEU C C 80 177.098 178.383 -1.285 2
1 976 . 1 1 A 80 80 LEU H H 80 7.311 8.134 -0.823 2
1 977 . 1 1 A 80 80 LEU HA H 80 3.643 3.993 -0.350 2
1 987 . 1 1 A 81 81 GLY N N 81 102.900 106.694 -3.794 2
1 988 . 1 1 A 81 81 GLY CA C 81 46.638 47.308 -0.670 2
1 989 . 1 1 A 81 81 GLY C C 81 174.240 176.560 -2.320 2
1 990 . 1 1 A 81 81 GLY H H 81 7.860 8.203 -0.342 2
1 991 . 1 1 A 81 81 GLY HA3 H 81 3.744 3.732 0.012 2
1 992 . 1 1 A 81 81 GLY HA2 H 81 3.434 3.719 -0.285 2
1 993 . 1 1 A 82 82 GLY N N 82 105.900 108.690 -2.790 2
1 994 . 1 1 A 82 82 GLY CA C 82 44.289 46.836 -2.547 2
1 995 . 1 1 A 82 82 GLY C C 82 174.591 174.577 0.014 2
1 996 . 1 1 A 82 82 GLY H H 82 7.396 7.959 -0.563 2
1 997 . 1 1 A 82 82 GLY HA3 H 82 4.267 3.894 0.372 2
1 998 . 1 1 A 82 82 GLY HA2 H 82 3.760 3.891 -0.131 2
1 999 . 1 1 A 83 83 LYS N N 83 119.000 119.032 -0.032 2
1 1000 . 1 1 A 83 83 LYS CA C 83 53.818 55.277 -1.459 2
1 1001 . 1 1 A 83 83 LYS CB C 83 33.814 33.661 0.153 2
1 1005 . 1 1 A 83 83 LYS H H 83 7.888 7.647 0.241 2
1 1006 . 1 1 A 83 83 LYS HA H 83 4.366 4.685 -0.319 2
1 1007 . 1 1 A 83 83 LYS C C 83 176.518 175.853 0.665 2
1 1015 . 1 1 A 84 84 THR N N 84 118.500 114.765 3.735 2
1 1016 . 1 1 A 84 84 THR CA C 84 61.914 60.815 1.099 2
1 1017 . 1 1 A 84 84 THR CB C 84 71.340 70.900 0.440 2
1 1019 . 1 1 A 84 84 THR C C 84 171.750 173.360 -1.610 2
1 1020 . 1 1 A 84 84 THR H H 84 8.248 8.789 -0.541 2
1 1021 . 1 1 A 84 84 THR HA H 84 4.638 5.168 -0.530 2
1 1024 . 1 1 A 85 85 LEU N N 85 130.500 126.782 3.718 2
1 1025 . 1 1 A 85 85 LEU CA C 85 53.982 53.926 0.056 2
1 1026 . 1 1 A 85 85 LEU CB C 85 43.826 43.163 0.663 2
1 1030 . 1 1 A 85 85 LEU C C 85 173.417 176.082 -2.665 2
1 1031 . 1 1 A 85 85 LEU H H 85 8.430 8.713 -0.283 2
1 1032 . 1 1 A 85 85 LEU HA H 85 4.417 4.814 -0.397 2
1 1042 . 1 1 A 86 86 VAL N N 86 127.723 120.096 7.627 2
1 1043 . 1 1 A 86 86 VAL CA C 86 61.206 59.565 1.641 2
1 1044 . 1 1 A 86 86 VAL CB C 86 31.856 34.369 -2.513 2
1 1047 . 1 1 A 86 86 VAL C C 86 173.599 174.245 -0.646 2
1 1048 . 1 1 A 86 86 VAL H H 86 8.771 8.936 -0.165 2
1 1049 . 1 1 A 86 86 VAL HA H 86 4.151 4.837 -0.686 2
1 1057 . 1 1 A 87 87 MET N N 87 122.600 123.772 -1.172 2
1 1058 . 1 1 A 87 87 MET CA C 87 53.654 54.007 -0.353 2
1 1059 . 1 1 A 87 87 MET CB C 87 31.288 35.886 -4.598 2
1 1061 . 1 1 A 87 87 MET C C 87 172.749 174.724 -1.975 2
1 1062 . 1 1 A 87 87 MET H H 87 7.503 8.966 -1.463 2
1 1063 . 1 1 A 87 87 MET HA H 87 4.706 5.229 -0.523 2
1 1068 . 1 1 A 88 88 ALA N N 88 124.200 125.735 -1.535 2
1 1069 . 1 1 A 88 88 ALA CA C 88 50.017 50.933 -0.916 2
1 1070 . 1 1 A 88 88 ALA CB C 88 23.107 21.322 1.785 2
1 1071 . 1 1 A 88 88 ALA C C 88 174.558 175.797 -1.239 2
1 1072 . 1 1 A 88 88 ALA H H 88 8.755 8.912 -0.157 2
1 1073 . 1 1 A 88 88 ALA HA H 88 4.948 5.160 -0.212 2
1 1077 . 1 1 A 89 89 VAL N N 89 122.900 123.549 -0.649 2
1 1078 . 1 1 A 89 89 VAL CA C 89 60.881 62.528 -1.647 2
1 1079 . 1 1 A 89 89 VAL CB C 89 31.541 31.816 -0.275 2
1 1082 . 1 1 A 89 89 VAL C C 89 173.707 174.669 -0.962 2
1 1083 . 1 1 A 89 89 VAL H H 89 8.813 8.735 0.078 2
1 1084 . 1 1 A 89 89 VAL HA H 89 4.652 4.693 -0.041 2
1 1092 . 1 1 A 90 90 TYR N N 90 128.400 128.467 -0.067 2
1 1093 . 1 1 A 90 90 TYR CA C 90 56.230 56.112 0.118 2
1 1094 . 1 1 A 90 90 TYR CB C 90 43.211 41.666 1.545 2
1 1095 . 1 1 A 90 90 TYR C C 90 173.024 173.585 -0.561 2
1 1096 . 1 1 A 90 90 TYR H H 90 9.067 9.603 -0.536 2
1 1097 . 1 1 A 90 90 TYR HA H 90 4.766 5.250 -0.484 2
1 1101 . 1 1 A 91 91 ASP N N 91 116.300 128.511 -12.211 2
1 1102 . 1 1 A 91 91 ASP CA C 91 51.800 52.751 -0.951 2
1 1103 . 1 1 A 91 91 ASP CB C 91 42.265 42.443 -0.178 2
1 1104 . 1 1 A 91 91 ASP C C 91 175.823 175.147 0.676 2
1 1105 . 1 1 A 91 91 ASP H H 91 8.700 8.583 0.117 2
1 1106 . 1 1 A 91 91 ASP HA H 91 5.098 5.116 -0.018 2
1 1109 . 1 1 A 92 92 PHE N N 92 128.100 127.389 0.711 2
1 1110 . 1 1 A 92 92 PHE CA C 92 58.830 56.732 2.098 2
1 1111 . 1 1 A 92 92 PHE CB C 92 31.850 38.943 -7.093 2
1 1112 . 1 1 A 92 92 PHE C C 92 173.437 175.492 -2.055 2
1 1113 . 1 1 A 92 92 PHE H H 92 9.540 8.896 0.644 2
1 1114 . 1 1 A 92 92 PHE HA H 92 4.480 4.666 -0.186 2
1 1117 . 1 1 A 93 93 ASP N N 93 122.100 125.571 -3.471 2
1 1118 . 1 1 A 93 93 ASP CA C 93 53.701 53.309 0.392 2
1 1119 . 1 1 A 93 93 ASP CB C 93 41.736 40.556 1.180 2
1 1120 . 1 1 A 93 93 ASP C C 93 175.548 175.761 -0.213 2
1 1121 . 1 1 A 93 93 ASP H H 93 7.812 8.404 -0.592 2
1 1122 . 1 1 A 93 93 ASP HA H 93 4.480 4.805 -0.325 2
1 1125 . 1 1 A 94 94 ARG N N 94 121.500 114.644 6.856 2
1 1126 . 1 1 A 94 94 ARG CA C 94 56.142 57.452 -1.310 2
1 1127 . 1 1 A 94 94 ARG CB C 94 30.173 27.968 2.205 2
1 1129 . 1 1 A 94 94 ARG C C 94 175.795 175.338 0.457 2
1 1130 . 1 1 A 94 94 ARG H H 94 8.264 7.460 0.804 2
1 1131 . 1 1 A 94 94 ARG HA H 94 4.000 3.530 0.470 2
1 1138 . 1 1 A 95 95 PHE N N 95 118.600 118.097 0.503 2
1 1139 . 1 1 A 95 95 PHE CA C 95 59.850 59.009 0.841 2
1 1140 . 1 1 A 95 95 PHE CB C 95 38.955 40.805 -1.850 2
1 1141 . 1 1 A 95 95 PHE C C 95 172.969 175.062 -2.093 2
1 1142 . 1 1 A 95 95 PHE H H 95 6.889 7.911 -1.022 2
1 1143 . 1 1 A 95 95 PHE HA H 95 4.373 4.778 -0.405 2
1 1146 . 1 1 A 96 96 SER N N 96 114.200 112.002 2.198 2
1 1147 . 1 1 A 96 96 SER H H 96 8.027 7.732 0.295 2
1 1148 . 1 1 A 96 96 SER CA C 96 57.596 57.587 0.009 2
1 1149 . 1 1 A 96 96 SER CB C 96 63.494 64.903 -1.409 2
1 1150 . 1 1 A 96 96 SER C C 96 174.149 174.080 0.069 2
1 1151 . 1 1 A 96 96 SER HA H 96 4.220 4.503 -0.283 2
1 1154 . 1 1 A 97 97 LYS N N 97 121.600 120.173 1.427 2
1 1155 . 1 1 A 97 97 LYS CA C 97 58.206 56.131 2.075 2
1 1156 . 1 1 A 97 97 LYS CB C 97 31.860 32.702 -0.842 2
1 1159 . 1 1 A 97 97 LYS H H 97 8.264 8.417 -0.153 2
1 1160 . 1 1 A 97 97 LYS HA H 97 4.202 4.300 -0.098 2
1 1161 . 1 1 A 97 97 LYS C C 97 175.599 176.163 -0.564 2
1 1170 . 1 1 A 98 98 HIS N N 98 119.000 122.644 -3.644 2
1 1171 . 1 1 A 98 98 HIS CA C 98 54.159 56.206 -2.047 2
1 1172 . 1 1 A 98 98 HIS CB C 98 30.040 30.152 -0.112 2
1 1173 . 1 1 A 98 98 HIS C C 98 174.050 174.369 -0.319 2
1 1174 . 1 1 A 98 98 HIS H H 98 8.350 8.270 0.081 2
1 1175 . 1 1 A 98 98 HIS HA H 98 4.784 4.960 -0.176 2
1 1178 . 1 1 A 99 99 ASP N N 99 122.600 124.750 -2.150 2
1 1179 . 1 1 A 99 99 ASP CA C 99 53.806 53.633 0.173 2
1 1180 . 1 1 A 99 99 ASP CB C 99 41.074 41.797 -0.723 2
1 1181 . 1 1 A 99 99 ASP C C 99 174.346 175.708 -1.362 2
1 1182 . 1 1 A 99 99 ASP H H 99 8.812 8.749 0.063 2
1 1183 . 1 1 A 99 99 ASP HA H 99 4.781 4.801 -0.020 2
1 1186 . 1 1 A 100 100 ILE N N 100 122.400 124.708 -2.308 2
1 1187 . 1 1 A 100 100 ILE CA C 100 60.989 61.948 -0.959 2
1 1188 . 1 1 A 100 100 ILE CB C 100 38.823 38.121 0.702 2
1 1192 . 1 1 A 100 100 ILE C C 100 174.431 177.043 -2.612 2
1 1193 . 1 1 A 100 100 ILE H H 100 8.075 8.531 -0.456 2
1 1194 . 1 1 A 100 100 ILE HA H 100 3.405 4.037 -0.632 2
1 1204 . 1 1 A 101 101 ILE N N 101 127.400 124.779 2.621 2
1 1205 . 1 1 A 101 101 ILE CA C 101 63.380 63.232 0.148 2
1 1206 . 1 1 A 101 101 ILE CB C 101 38.058 38.289 -0.231 2
1 1210 . 1 1 A 101 101 ILE C C 101 175.859 176.333 -0.474 2
1 1211 . 1 1 A 101 101 ILE H H 101 9.219 8.621 0.598 2
1 1212 . 1 1 A 101 101 ILE HA H 101 3.869 4.062 -0.193 2
1 1219 . 1 1 A 102 102 GLY N N 102 101.500 108.685 -7.185 2
1 1220 . 1 1 A 102 102 GLY CA C 102 45.259 45.910 -0.651 2
1 1221 . 1 1 A 102 102 GLY C C 102 169.614 171.332 -1.718 2
1 1222 . 1 1 A 102 102 GLY H H 102 7.241 7.317 -0.076 2
1 1223 . 1 1 A 102 102 GLY HA3 H 102 4.024 4.082 -0.058 2
1 1224 . 1 1 A 102 102 GLY HA2 H 102 3.811 4.075 -0.264 2
1 1225 . 1 1 A 103 103 GLU N N 103 117.100 118.487 -1.387 2
1 1226 . 1 1 A 103 103 GLU CA C 103 54.229 55.509 -1.280 2
1 1227 . 1 1 A 103 103 GLU CB C 103 34.012 33.602 0.410 2
1 1229 . 1 1 A 103 103 GLU C C 103 173.993 174.365 -0.372 2
1 1230 . 1 1 A 103 103 GLU H H 103 9.499 9.149 0.350 2
1 1231 . 1 1 A 103 103 GLU HA H 103 5.513 5.338 0.175 2
1 1236 . 1 1 A 104 104 PHE N N 104 115.900 122.117 -6.217 2
1 1237 . 1 1 A 104 104 PHE CA C 104 58.037 56.833 1.204 2
1 1238 . 1 1 A 104 104 PHE CB C 104 41.030 42.674 -1.644 2
1 1239 . 1 1 A 104 104 PHE C C 104 171.749 173.267 -1.518 2
1 1240 . 1 1 A 104 104 PHE H H 104 8.525 9.015 -0.490 2
1 1241 . 1 1 A 104 104 PHE HA H 104 4.731 5.297 -0.566 2
1 1244 . 1 1 A 105 105 LYS N N 105 118.900 124.094 -5.194 2
1 1245 . 1 1 A 105 105 LYS CA C 105 53.771 54.708 -0.937 2
1 1246 . 1 1 A 105 105 LYS CB C 105 34.953 35.119 -0.166 2
1 1250 . 1 1 A 105 105 LYS H H 105 7.805 8.366 -0.562 2
1 1251 . 1 1 A 105 105 LYS HA H 105 5.188 4.910 0.278 2
1 1252 . 1 1 A 105 105 LYS C C 105 175.389 174.854 0.535 2
1 1261 . 1 1 A 106 106 VAL N N 106 121.400 122.774 -1.374 2
1 1262 . 1 1 A 106 106 VAL CA C 106 58.522 58.830 -0.308 2
1 1263 . 1 1 A 106 106 VAL CB C 106 34.050 34.654 -0.604 2
1 1266 . 1 1 A 106 106 VAL C C 106 173.300 173.666 -0.366 2
1 1267 . 1 1 A 106 106 VAL H H 106 9.276 8.748 0.528 2
1 1268 . 1 1 A 106 106 VAL HA H 106 4.430 4.639 -0.209 2
1 1276 . 1 1 A 107 107 PRO CA C 107 62.265 62.907 -0.642 2
1 1277 . 1 1 A 107 107 PRO CB C 107 31.157 32.043 -0.886 2
1 1280 . 1 1 A 107 107 PRO C C 107 178.967 178.157 0.810 2
1 1281 . 1 1 A 107 107 PRO HA H 107 4.703 4.620 0.083 2
1 1288 . 1 1 A 108 108 MET N N 108 126.300 124.269 2.031 2
1 1289 . 1 1 A 108 108 MET CA C 108 56.728 57.779 -1.052 2
1 1290 . 1 1 A 108 108 MET CB C 108 32.909 32.184 0.725 2
1 1292 . 1 1 A 108 108 MET C C 108 176.858 178.283 -1.425 2
1 1293 . 1 1 A 108 108 MET H H 108 8.716 8.479 0.237 2
1 1294 . 1 1 A 108 108 MET HA H 108 4.483 4.326 0.157 2
1 1299 . 1 1 A 109 109 ASN N N 109 115.600 117.311 -1.711 2
1 1300 . 1 1 A 109 109 ASN CA C 109 53.983 55.626 -1.643 2
1 1301 . 1 1 A 109 109 ASN CB C 109 36.227 37.658 -1.431 2
1 1302 . 1 1 A 109 109 ASN C C 109 175.789 176.846 -1.057 2
1 1303 . 1 1 A 109 109 ASN H H 109 8.342 8.584 -0.242 2
1 1304 . 1 1 A 109 109 ASN HA H 109 4.564 4.487 0.077 2
1 1310 . 1 1 A 110 110 THR N N 110 107.600 110.059 -2.459 2
1 1311 . 1 1 A 110 110 THR CA C 110 61.115 63.082 -1.967 2
1 1312 . 1 1 A 110 110 THR CB C 110 62.929 69.641 -6.712 2
1 1314 . 1 1 A 110 110 THR C C 110 173.508 174.591 -1.083 2
1 1315 . 1 1 A 110 110 THR H H 110 7.522 7.628 -0.107 2
1 1316 . 1 1 A 110 110 THR HA H 110 4.461 4.338 0.123 2
1 1319 . 1 1 A 111 111 VAL N N 111 123.700 122.293 1.407 2
1 1320 . 1 1 A 111 111 VAL CA C 111 61.782 61.679 0.103 2
1 1321 . 1 1 A 111 111 VAL CB C 111 32.821 32.365 0.456 2
1 1324 . 1 1 A 111 111 VAL C C 111 173.903 174.615 -0.712 2
1 1325 . 1 1 A 111 111 VAL H H 111 6.960 7.352 -0.392 2
1 1326 . 1 1 A 111 111 VAL HA H 111 3.703 4.149 -0.446 2
1 1334 . 1 1 A 112 112 ASP N N 112 125.800 128.404 -2.604 2
1 1335 . 1 1 A 112 112 ASP CA C 112 51.777 53.635 -1.858 2
1 1336 . 1 1 A 112 112 ASP CB C 112 40.648 41.084 -0.436 2
1 1337 . 1 1 A 112 112 ASP C C 112 175.407 175.433 -0.026 2
1 1338 . 1 1 A 112 112 ASP H H 112 8.341 8.809 -0.468 2
1 1339 . 1 1 A 112 112 ASP HA H 112 4.719 4.853 -0.134 2
1 1342 . 1 1 A 113 113 PHE N N 113 122.700 124.097 -1.397 2
1 1343 . 1 1 A 113 113 PHE CA C 113 59.887 56.157 3.730 2
1 1344 . 1 1 A 113 113 PHE CB C 113 37.999 37.169 0.830 2
1 1345 . 1 1 A 113 113 PHE C C 113 175.854 176.407 -0.553 2
1 1346 . 1 1 A 113 113 PHE H H 113 8.391 8.752 -0.361 2
1 1347 . 1 1 A 113 113 PHE HA H 113 4.670 4.756 -0.086 2
1 1350 . 1 1 A 114 114 GLY N N 114 108.608 109.863 -1.255 2
1 1351 . 1 1 A 114 114 GLY CA C 114 45.657 47.066 -1.409 2
1 1352 . 1 1 A 114 114 GLY C C 114 172.963 175.466 -2.503 2
1 1353 . 1 1 A 114 114 GLY H H 114 8.953 8.471 0.482 2
1 1354 . 1 1 A 114 114 GLY HA3 H 114 4.018 3.625 0.393 2
1 1355 . 1 1 A 114 114 GLY HA2 H 114 3.912 3.488 0.424 2
1 1356 . 1 1 A 115 115 HIS N N 115 114.926 118.680 -3.754 2
1 1357 . 1 1 A 115 115 HIS CA C 115 53.533 55.974 -2.441 2
1 1358 . 1 1 A 115 115 HIS CB C 115 30.349 30.698 -0.349 2
1 1359 . 1 1 A 115 115 HIS C C 115 172.453 174.074 -1.621 2
1 1360 . 1 1 A 115 115 HIS H H 115 7.510 7.977 -0.467 2
1 1361 . 1 1 A 115 115 HIS HA H 115 4.868 4.926 -0.058 2
1 1364 . 1 1 A 116 116 VAL N N 116 122.100 117.763 4.337 2
1 1365 . 1 1 A 116 116 VAL CA C 116 62.992 60.335 2.657 2
1 1366 . 1 1 A 116 116 VAL CB C 116 31.850 34.133 -2.283 2
1 1369 . 1 1 A 116 116 VAL C C 116 176.352 174.366 1.986 2
1 1370 . 1 1 A 116 116 VAL H H 116 8.460 8.207 0.253 2
1 1371 . 1 1 A 116 116 VAL HA H 116 4.268 4.871 -0.603 2
1 1379 . 1 1 A 117 117 THR N N 117 124.700 123.221 1.479 2
1 1380 . 1 1 A 117 117 THR CA C 117 61.694 62.114 -0.420 2
1 1381 . 1 1 A 117 117 THR CB C 117 70.001 68.903 1.098 2
1 1383 . 1 1 A 117 117 THR C C 117 172.762 173.762 -1.000 2
1 1384 . 1 1 A 117 117 THR H H 117 8.550 9.443 -0.893 2
1 1385 . 1 1 A 117 117 THR HA H 117 4.460 4.594 -0.134 2
1 1388 . 1 1 A 118 118 GLU N N 118 126.000 125.509 0.491 2
1 1389 . 1 1 A 118 118 GLU CA C 118 55.038 55.191 -0.153 2
1 1390 . 1 1 A 118 118 GLU CB C 118 30.835 31.141 -0.306 2
1 1392 . 1 1 A 118 118 GLU C C 118 174.419 175.061 -0.642 2
1 1393 . 1 1 A 118 118 GLU H H 118 8.382 8.827 -0.445 2
1 1394 . 1 1 A 118 118 GLU HA H 118 4.776 5.061 -0.285 2
1 1399 . 1 1 A 119 119 GLU N N 119 123.000 121.037 1.963 2
1 1400 . 1 1 A 119 119 GLU CA C 119 54.292 54.699 -0.407 2
1 1401 . 1 1 A 119 119 GLU CB C 119 32.909 33.254 -0.345 2
1 1403 . 1 1 A 119 119 GLU C C 119 173.072 174.444 -1.372 2
1 1404 . 1 1 A 119 119 GLU H H 119 8.057 8.763 -0.706 2
1 1405 . 1 1 A 119 119 GLU HA H 119 4.631 4.391 0.240 2
1 1410 . 1 1 A 120 120 TRP N N 120 118.300 122.055 -3.755 2
1 1411 . 1 1 A 120 120 TRP C C 120 177.336 175.322 2.014 2
1 1412 . 1 1 A 120 120 TRP CA C 120 55.672 56.760 -1.088 2
1 1413 . 1 1 A 120 120 TRP CB C 120 31.259 29.590 1.669 2
1 1414 . 1 1 A 120 120 TRP H H 120 8.212 8.283 -0.071 2
1 1415 . 1 1 A 120 120 TRP HA H 120 5.322 5.040 0.282 2
1 1424 . 1 1 A 121 121 ARG N N 121 120.900 126.177 -5.277 2
1 1425 . 1 1 A 121 121 ARG CA C 121 53.631 53.938 -0.307 2
1 1426 . 1 1 A 121 121 ARG CB C 121 32.865 33.098 -0.233 2
1 1429 . 1 1 A 121 121 ARG C C 121 174.321 175.020 -0.699 2
1 1430 . 1 1 A 121 121 ARG H H 121 9.012 8.760 0.252 2
1 1431 . 1 1 A 121 121 ARG HA H 121 4.488 4.926 -0.438 2
1 1438 . 1 1 A 122 122 ASP N N 122 121.600 124.619 -3.019 2
1 1439 . 1 1 A 122 122 ASP CA C 122 53.795 53.193 0.602 2
1 1440 . 1 1 A 122 122 ASP CB C 122 40.544 42.370 -1.826 2
1 1441 . 1 1 A 122 122 ASP C C 122 176.041 175.224 0.817 2
1 1442 . 1 1 A 122 122 ASP H H 122 8.226 8.633 -0.407 2
1 1443 . 1 1 A 122 122 ASP HA H 122 4.791 5.192 -0.401 2
1 1446 . 1 1 A 123 123 LEU N N 123 120.700 125.499 -4.799 2
1 1447 . 1 1 A 123 123 LEU CA C 123 54.997 54.261 0.736 2
1 1448 . 1 1 A 123 123 LEU CB C 123 41.765 42.395 -0.630 2
1 1452 . 1 1 A 123 123 LEU C C 123 175.964 176.458 -0.494 2
1 1453 . 1 1 A 123 123 LEU H H 123 8.436 8.732 -0.296 2
1 1454 . 1 1 A 123 123 LEU HA H 123 4.125 4.915 -0.790 2
1 1464 . 1 1 A 124 124 GLN N N 124 119.200 125.003 -5.803 2
1 1466 . 1 1 A 124 124 GLN CA C 124 53.278 55.095 -1.817 2
1 1467 . 1 1 A 124 124 GLN CB C 124 31.232 30.257 0.975 2
1 1469 . 1 1 A 124 124 GLN C C 124 175.183 175.290 -0.107 2
1 1470 . 1 1 A 124 124 GLN H H 124 9.020 8.860 0.160 2
1 1471 . 1 1 A 124 124 GLN HA H 124 4.738 4.829 -0.091 2
1 1478 . 1 1 A 125 125 SER N N 125 115.300 118.632 -3.331 2
1 1479 . 1 1 A 125 125 SER H H 125 8.543 8.749 -0.206 2
1 1480 . 1 1 A 125 125 SER CA C 125 58.477 58.769 -0.292 2
1 1481 . 1 1 A 125 125 SER CB C 125 63.274 63.291 -0.017 2
1 1482 . 1 1 A 125 125 SER C C 125 174.609 174.165 0.444 2
1 1483 . 1 1 A 125 125 SER HA H 125 4.235 4.743 -0.508 2
1 1486 . 1 1 A 126 126 ALA N N 126 126.900 129.635 -2.735 2
1 1487 . 1 1 A 126 126 ALA CA C 126 51.636 50.353 1.283 2
1 1488 . 1 1 A 126 126 ALA CB C 126 19.845 21.143 -1.298 2
1 1489 . 1 1 A 126 126 ALA C C 126 176.876 176.549 0.327 2
1 1490 . 1 1 A 126 126 ALA H H 126 8.640 8.879 -0.239 2
1 1491 . 1 1 A 126 126 ALA HA H 126 4.216 5.176 -0.960 2
1 1495 . 1 1 A 127 127 GLU N N 127 120.600 122.151 -1.551 2
1 1496 . 1 1 A 127 127 GLU CA C 127 56.142 55.193 0.949 2
1 1497 . 1 1 A 127 127 GLU CB C 127 29.996 29.576 0.420 2
1 1499 . 1 1 A 127 127 GLU C C 127 175.129 175.117 0.012 2
1 1500 . 1 1 A 127 127 GLU H H 127 8.204 8.777 -0.573 2
1 1501 . 1 1 A 127 127 GLU HA H 127 4.176 4.657 -0.481 2
stop_
save_