data_16116_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16116
_Entry.PDB_ID 2KDL
_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 3 . 1 1 1 A 2 2 THR H H 2 8.109 7.201 0.908 1
1 4 . 1 1 1 A 2 2 THR HA H 2 4.400 4.516 -0.116 1
1 9 . 1 1 1 A 2 2 THR C C 2 173.933 175.423 -1.490 1
1 10 . 1 1 1 A 2 2 THR CA C 2 61.842 62.126 -0.284 1
1 11 . 1 1 1 A 2 2 THR CB C 2 69.793 70.346 -0.553 1
1 13 . 1 1 1 A 2 2 THR N N 2 128.532 110.636 17.896 1
1 14 . 1 1 1 A 3 3 TYR H H 3 8.424 7.945 0.479 1
1 15 . 1 1 1 A 3 3 TYR HA H 3 4.434 4.360 0.074 1
1 22 . 1 1 1 A 3 3 TYR C C 3 175.696 175.723 -0.027 1
1 23 . 1 1 1 A 3 3 TYR CA C 3 58.210 60.001 -1.791 1
1 24 . 1 1 1 A 3 3 TYR CB C 3 38.473 37.388 1.085 1
1 27 . 1 1 1 A 3 3 TYR N N 3 123.975 119.966 4.009 1
1 28 . 1 1 1 A 4 4 LYS H H 4 8.160 7.283 0.877 1
1 29 . 1 1 1 A 4 4 LYS HA H 4 4.217 5.015 -0.798 1
1 36 . 1 1 1 A 4 4 LYS C C 4 175.989 175.227 0.762 1
1 37 . 1 1 1 A 4 4 LYS CA C 4 56.657 54.902 1.755 1
1 38 . 1 1 1 A 4 4 LYS CB C 4 32.834 35.119 -2.285 1
1 42 . 1 1 1 A 4 4 LYS N N 4 122.591 117.987 4.604 1
1 43 . 1 1 1 A 5 5 LEU H H 5 8.050 8.598 -0.548 1
1 44 . 1 1 1 A 5 5 LEU HA H 5 4.325 4.628 -0.303 1
1 50 . 1 1 1 A 5 5 LEU C C 5 177.233 175.108 2.125 1
1 51 . 1 1 1 A 5 5 LEU CA C 5 55.392 54.722 0.670 1
1 52 . 1 1 1 A 5 5 LEU CB C 5 41.995 44.929 -2.934 1
1 56 . 1 1 1 A 5 5 LEU N N 5 122.335 120.396 1.939 1
1 57 . 1 1 1 A 6 6 ILE H H 6 8.136 8.777 -0.641 1
1 58 . 1 1 1 A 6 6 ILE HA H 6 4.230 4.224 0.006 1
1 68 . 1 1 1 A 6 6 ILE C C 6 176.253 176.893 -0.640 1
1 69 . 1 1 1 A 6 6 ILE CA C 6 61.256 61.446 -0.190 1
1 70 . 1 1 1 A 6 6 ILE CB C 6 38.070 37.441 0.629 1
1 74 . 1 1 1 A 6 6 ILE N N 6 122.472 126.858 -4.386 1
1 75 . 1 1 1 A 7 7 LEU H H 7 8.234 8.976 -0.742 1
1 76 . 1 1 1 A 7 7 LEU HA H 7 4.521 4.615 -0.094 1
1 82 . 1 1 1 A 7 7 LEU C C 7 177.087 176.779 0.308 1
1 83 . 1 1 1 A 7 7 LEU CA C 7 55.268 54.942 0.326 1
1 84 . 1 1 1 A 7 7 LEU CB C 7 42.738 43.245 -0.507 1
1 87 . 1 1 1 A 7 7 LEU N N 7 125.667 122.385 3.282 1
1 88 . 1 1 1 A 8 8 ASN H H 8 8.195 7.737 0.458 1
1 89 . 1 1 1 A 8 8 ASN HA H 8 4.801 5.000 -0.199 1
1 94 . 1 1 1 A 8 8 ASN C C 8 175.345 174.693 0.652 1
1 95 . 1 1 1 A 8 8 ASN CA C 8 52.541 53.278 -0.737 1
1 96 . 1 1 1 A 8 8 ASN CB C 8 38.782 41.668 -2.886 1
1 97 . 1 1 1 A 8 8 ASN N N 8 118.150 116.419 1.731 1
1 99 . 1 1 1 A 9 9 LEU H H 9 8.434 8.996 -0.562 1
1 100 . 1 1 1 A 9 9 LEU HA H 9 3.974 4.175 -0.201 1
1 109 . 1 1 1 A 9 9 LEU C C 9 177.160 178.700 -1.540 1
1 110 . 1 1 1 A 9 9 LEU CA C 9 58.418 57.033 1.385 1
1 111 . 1 1 1 A 9 9 LEU CB C 9 42.073 41.811 0.262 1
1 114 . 1 1 1 A 9 9 LEU N N 9 121.944 127.465 -5.521 1
1 115 . 1 1 1 A 10 10 LYS H H 10 8.115 8.205 -0.090 1
1 116 . 1 1 1 A 10 10 LYS HA H 10 3.964 3.925 0.039 1
1 121 . 1 1 1 A 10 10 LYS C C 10 178.535 178.608 -0.073 1
1 122 . 1 1 1 A 10 10 LYS CA C 10 60.121 60.354 -0.233 1
1 123 . 1 1 1 A 10 10 LYS CB C 10 32.108 32.045 0.063 1
1 126 . 1 1 1 A 10 10 LYS N N 10 118.923 118.612 0.311 1
1 127 . 1 1 1 A 11 11 GLN H H 11 7.647 8.164 -0.517 1
1 128 . 1 1 1 A 11 11 GLN HA H 11 4.198 4.062 0.136 1
1 135 . 1 1 1 A 11 11 GLN C C 11 179.267 177.837 1.430 1
1 136 . 1 1 1 A 11 11 GLN CA C 11 59.331 58.697 0.634 1
1 137 . 1 1 1 A 11 11 GLN CB C 11 29.621 28.648 0.973 1
1 139 . 1 1 1 A 11 11 GLN N N 11 117.482 119.263 -1.781 1
1 141 . 1 1 1 A 12 12 ALA H H 12 8.431 8.042 0.389 1
1 142 . 1 1 1 A 12 12 ALA HA H 12 4.200 2.777 1.423 1
1 146 . 1 1 1 A 12 12 ALA C C 12 179.809 179.105 0.704 1
1 147 . 1 1 1 A 12 12 ALA CA C 12 55.484 54.977 0.507 1
1 148 . 1 1 1 A 12 12 ALA CB C 12 18.673 18.137 0.536 1
1 149 . 1 1 1 A 12 12 ALA N N 12 122.387 121.871 0.516 1
1 150 . 1 1 1 A 13 13 LYS H H 13 8.361 8.586 -0.225 1
1 151 . 1 1 1 A 13 13 LYS HA H 13 3.671 3.980 -0.309 1
1 158 . 1 1 1 A 13 13 LYS C C 13 177.701 178.892 -1.191 1
1 159 . 1 1 1 A 13 13 LYS CA C 13 60.773 58.989 1.784 1
1 160 . 1 1 1 A 13 13 LYS CB C 13 33.191 32.367 0.824 1
1 163 . 1 1 1 A 13 13 LYS N N 13 116.790 116.497 0.293 1
1 164 . 1 1 1 A 14 14 GLU H H 14 7.953 8.424 -0.471 1
1 165 . 1 1 1 A 14 14 GLU HA H 14 3.979 3.890 0.089 1
1 170 . 1 1 1 A 14 14 GLU C C 14 178.067 179.191 -1.124 1
1 171 . 1 1 1 A 14 14 GLU CA C 14 59.824 59.531 0.293 1
1 172 . 1 1 1 A 14 14 GLU CB C 14 29.389 29.232 0.157 1
1 174 . 1 1 1 A 14 14 GLU N N 14 116.988 119.721 -2.733 1
1 175 . 1 1 1 A 15 15 GLU H H 15 8.442 7.646 0.796 1
1 176 . 1 1 1 A 15 15 GLU HA H 15 4.053 3.916 0.137 1
1 179 . 1 1 1 A 15 15 GLU C C 15 178.374 179.227 -0.853 1
1 180 . 1 1 1 A 15 15 GLU CA C 15 58.307 58.772 -0.465 1
1 181 . 1 1 1 A 15 15 GLU CB C 15 29.030 28.558 0.472 1
1 183 . 1 1 1 A 15 15 GLU N N 15 115.659 120.110 -4.451 1
1 184 . 1 1 1 A 16 16 ALA H H 16 8.555 8.045 0.510 1
1 185 . 1 1 1 A 16 16 ALA HA H 16 4.199 3.921 0.278 1
1 189 . 1 1 1 A 16 16 ALA C C 16 179.399 179.878 -0.479 1
1 190 . 1 1 1 A 16 16 ALA CA C 16 55.233 55.106 0.127 1
1 191 . 1 1 1 A 16 16 ALA CB C 16 17.853 17.999 -0.146 1
1 192 . 1 1 1 A 16 16 ALA N N 16 122.104 123.056 -0.952 1
1 193 . 1 1 1 A 17 17 ILE H H 17 8.719 7.501 1.218 1
1 194 . 1 1 1 A 17 17 ILE HA H 17 3.593 3.631 -0.038 1
1 201 . 1 1 1 A 17 17 ILE C C 17 177.131 177.817 -0.686 1
1 202 . 1 1 1 A 17 17 ILE CA C 17 66.796 65.197 1.599 1
1 203 . 1 1 1 A 17 17 ILE CB C 17 37.700 37.666 0.034 1
1 205 . 1 1 1 A 17 17 ILE N N 17 117.581 118.425 -0.844 1
1 206 . 1 1 1 A 18 18 LYS H H 18 7.795 7.887 -0.092 1
1 207 . 1 1 1 A 18 18 LYS HA H 18 4.025 3.896 0.129 1
1 214 . 1 1 1 A 18 18 LYS C C 18 179.340 178.956 0.384 1
1 215 . 1 1 1 A 18 18 LYS CA C 18 59.829 59.785 0.044 1
1 216 . 1 1 1 A 18 18 LYS CB C 18 32.079 32.210 -0.131 1
1 220 . 1 1 1 A 18 18 LYS N N 18 119.291 120.831 -1.540 1
1 221 . 1 1 1 A 19 19 GLU H H 19 8.331 8.777 -0.446 1
1 222 . 1 1 1 A 19 19 GLU HA H 19 4.197 4.017 0.180 1
1 227 . 1 1 1 A 19 19 GLU C C 19 179.926 179.658 0.268 1
1 228 . 1 1 1 A 19 19 GLU CA C 19 58.483 59.033 -0.550 1
1 229 . 1 1 1 A 19 19 GLU CB C 19 28.508 29.322 -0.814 1
1 231 . 1 1 1 A 19 19 GLU N N 19 118.386 118.786 -0.400 1
1 232 . 1 1 1 A 20 20 LEU H H 20 8.270 7.683 0.587 1
1 233 . 1 1 1 A 20 20 LEU HA H 20 4.198 4.078 0.120 1
1 240 . 1 1 1 A 20 20 LEU C C 20 180.511 179.087 1.424 1
1 241 . 1 1 1 A 20 20 LEU CA C 20 57.429 58.030 -0.601 1
1 242 . 1 1 1 A 20 20 LEU CB C 20 40.978 41.528 -0.550 1
1 243 . 1 1 1 A 20 20 LEU N N 20 119.581 121.236 -1.655 1
1 244 . 1 1 1 A 21 21 VAL H H 21 9.479 8.528 0.951 1
1 245 . 1 1 1 A 21 21 VAL HA H 21 3.991 3.589 0.402 1
1 250 . 1 1 1 A 21 21 VAL C C 21 180.906 177.736 3.170 1
1 251 . 1 1 1 A 21 21 VAL CA C 21 66.562 67.002 -0.440 1
1 252 . 1 1 1 A 21 21 VAL CB C 21 31.435 31.451 -0.016 1
1 254 . 1 1 1 A 21 21 VAL N N 21 125.030 119.380 5.650 1
1 255 . 1 1 1 A 22 22 ASP H H 22 8.401 8.721 -0.320 1
1 256 . 1 1 1 A 22 22 ASP HA H 22 4.541 4.495 0.046 1
1 259 . 1 1 1 A 22 22 ASP C C 22 177.204 176.985 0.219 1
1 260 . 1 1 1 A 22 22 ASP CA C 22 57.019 56.357 0.662 1
1 261 . 1 1 1 A 22 22 ASP CB C 22 39.983 41.105 -1.122 1
1 262 . 1 1 1 A 22 22 ASP N N 22 122.749 120.011 2.738 1
1 263 . 1 1 1 A 23 23 ALA H H 23 7.485 8.204 -0.719 1
1 264 . 1 1 1 A 23 23 ALA HA H 23 4.522 4.358 0.164 1
1 268 . 1 1 1 A 23 23 ALA C C 23 177.965 178.367 -0.402 1
1 269 . 1 1 1 A 23 23 ALA CA C 23 52.130 53.148 -1.018 1
1 270 . 1 1 1 A 23 23 ALA CB C 23 18.673 20.501 -1.828 1
1 271 . 1 1 1 A 23 23 ALA N N 23 119.207 119.344 -0.137 1
1 272 . 1 1 1 A 24 24 GLY H H 24 8.150 8.205 -0.055 1
1 273 . 1 1 1 A 24 24 GLY HA2 H 24 4.183 3.948 0.235 1
1 274 . 1 1 1 A 24 24 GLY HA3 H 24 4.026 3.950 0.076 1
1 275 . 1 1 1 A 24 24 GLY C C 24 174.731 173.951 0.780 1
1 276 . 1 1 1 A 24 24 GLY CA C 24 45.916 46.704 -0.788 1
1 277 . 1 1 1 A 24 24 GLY N N 24 108.009 105.880 2.129 1
1 278 . 1 1 1 A 25 25 THR H H 25 7.786 7.714 0.072 1
1 279 . 1 1 1 A 25 25 THR HA H 25 4.151 4.882 -0.731 1
1 284 . 1 1 1 A 25 25 THR C C 25 173.194 173.279 -0.085 1
1 285 . 1 1 1 A 25 25 THR CA C 25 63.840 59.436 4.404 1
1 286 . 1 1 1 A 25 25 THR CB C 25 69.255 71.468 -2.213 1
1 288 . 1 1 1 A 25 25 THR N N 25 117.202 112.517 4.685 1
1 289 . 1 1 1 A 26 26 ALA H H 26 8.978 8.418 0.560 1
1 290 . 1 1 1 A 26 26 ALA HA H 26 4.391 4.265 0.126 1
1 294 . 1 1 1 A 26 26 ALA C C 26 178.935 178.239 0.696 1
1 295 . 1 1 1 A 26 26 ALA CA C 26 53.038 52.563 0.475 1
1 296 . 1 1 1 A 26 26 ALA CB C 26 18.566 19.112 -0.546 1
1 297 . 1 1 1 A 26 26 ALA N N 26 128.127 127.185 0.942 1
1 298 . 1 1 1 A 27 27 GLU H H 27 8.803 8.750 0.053 1
1 299 . 1 1 1 A 27 27 GLU HA H 27 3.966 4.110 -0.144 1
1 304 . 1 1 1 A 27 27 GLU C C 27 179.999 178.573 1.426 1
1 305 . 1 1 1 A 27 27 GLU CA C 27 59.465 59.285 0.180 1
1 306 . 1 1 1 A 27 27 GLU CB C 27 29.211 29.290 -0.079 1
1 308 . 1 1 1 A 27 27 GLU N N 27 123.075 124.950 -1.875 1
1 309 . 1 1 1 A 28 28 LYS H H 28 8.455 8.224 0.231 1
1 310 . 1 1 1 A 28 28 LYS HA H 28 4.048 4.019 0.029 1
1 315 . 1 1 1 A 28 28 LYS C C 28 177.394 179.304 -1.910 1
1 316 . 1 1 1 A 28 28 LYS CA C 28 58.951 58.917 0.034 1
1 317 . 1 1 1 A 28 28 LYS CB C 28 29.504 32.332 -2.828 1
1 320 . 1 1 1 A 28 28 LYS N N 28 119.368 120.784 -1.416 1
1 321 . 1 1 1 A 29 29 TYR H H 29 7.349 8.025 -0.676 1
1 322 . 1 1 1 A 29 29 TYR HA H 29 4.768 4.280 0.488 1
1 329 . 1 1 1 A 29 29 TYR C C 29 177.496 178.143 -0.647 1
1 330 . 1 1 1 A 29 29 TYR CA C 29 58.599 61.378 -2.779 1
1 331 . 1 1 1 A 29 29 TYR CB C 29 38.229 38.424 -0.195 1
1 336 . 1 1 1 A 29 29 TYR N N 29 117.039 120.377 -3.338 1
1 337 . 1 1 1 A 30 30 ILE H H 30 7.535 8.351 -0.816 1
1 338 . 1 1 1 A 30 30 ILE HA H 30 3.638 3.864 -0.226 1
1 348 . 1 1 1 A 30 30 ILE C C 30 178.462 177.688 0.774 1
1 349 . 1 1 1 A 30 30 ILE CA C 30 65.156 63.118 2.038 1
1 350 . 1 1 1 A 30 30 ILE CB C 30 36.867 37.457 -0.590 1
1 353 . 1 1 1 A 30 30 ILE N N 30 120.828 120.424 0.404 1
1 354 . 1 1 1 A 31 31 LYS H H 31 7.862 7.963 -0.101 1
1 355 . 1 1 1 A 31 31 LYS HA H 31 4.053 4.101 -0.048 1
1 360 . 1 1 1 A 31 31 LYS C C 31 178.243 178.887 -0.644 1
1 361 . 1 1 1 A 31 31 LYS CA C 31 58.796 58.843 -0.047 1
1 362 . 1 1 1 A 31 31 LYS CB C 31 31.723 31.829 -0.106 1
1 365 . 1 1 1 A 31 31 LYS N N 31 116.578 121.405 -4.827 1
1 366 . 1 1 1 A 32 32 LEU H H 32 7.353 7.726 -0.373 1
1 367 . 1 1 1 A 32 32 LEU HA H 32 4.128 4.091 0.037 1
1 373 . 1 1 1 A 32 32 LEU C C 32 180.028 178.981 1.047 1
1 374 . 1 1 1 A 32 32 LEU CA C 32 57.809 57.892 -0.083 1
1 375 . 1 1 1 A 32 32 LEU CB C 32 41.196 41.623 -0.427 1
1 378 . 1 1 1 A 32 32 LEU N N 32 117.030 120.312 -3.282 1
1 379 . 1 1 1 A 33 33 ILE H H 33 7.494 7.636 -0.142 1
1 380 . 1 1 1 A 33 33 ILE HA H 33 3.760 4.004 -0.244 1
1 387 . 1 1 1 A 33 33 ILE C C 33 178.477 177.867 0.610 1
1 388 . 1 1 1 A 33 33 ILE CA C 33 62.407 63.741 -1.334 1
1 389 . 1 1 1 A 33 33 ILE CB C 33 35.407 37.315 -1.908 1
1 391 . 1 1 1 A 33 33 ILE N N 33 118.141 115.253 2.888 1
1 392 . 1 1 1 A 34 34 ALA H H 34 7.777 7.499 0.278 1
1 393 . 1 1 1 A 34 34 ALA HA H 34 4.031 3.977 0.054 1
1 397 . 1 1 1 A 34 34 ALA C C 34 178.857 178.759 0.098 1
1 398 . 1 1 1 A 34 34 ALA CA C 34 54.662 54.767 -0.105 1
1 399 . 1 1 1 A 34 34 ALA CB C 34 18.492 18.633 -0.141 1
1 400 . 1 1 1 A 34 34 ALA N N 34 119.230 123.998 -4.768 1
1 401 . 1 1 1 A 35 35 ASN H H 35 7.418 7.824 -0.406 1
1 402 . 1 1 1 A 35 35 ASN HA H 35 4.863 4.782 0.081 1
1 407 . 1 1 1 A 35 35 ASN C C 35 175.345 175.785 -0.440 1
1 408 . 1 1 1 A 35 35 ASN CA C 35 52.686 53.653 -0.967 1
1 409 . 1 1 1 A 35 35 ASN CB C 35 39.075 39.147 -0.072 1
1 410 . 1 1 1 A 35 35 ASN N N 35 113.022 114.460 -1.438 1
1 412 . 1 1 1 A 36 36 ALA H H 36 7.529 7.863 -0.334 1
1 413 . 1 1 1 A 36 36 ALA HA H 36 4.329 4.079 0.250 1
1 417 . 1 1 1 A 36 36 ALA C C 36 177.862 176.880 0.982 1
1 418 . 1 1 1 A 36 36 ALA CA C 36 53.389 53.398 -0.009 1
1 419 . 1 1 1 A 36 36 ALA CB C 36 19.141 19.365 -0.224 1
1 420 . 1 1 1 A 36 36 ALA N N 36 124.061 122.530 1.531 1
1 421 . 1 1 1 A 37 37 LYS H H 37 8.891 8.975 -0.084 1
1 422 . 1 1 1 A 37 37 LYS HA H 37 4.450 4.438 0.012 1
1 427 . 1 1 1 A 37 37 LYS C C 37 176.758 176.359 0.399 1
1 428 . 1 1 1 A 37 37 LYS CA C 37 56.476 57.372 -0.896 1
1 429 . 1 1 1 A 37 37 LYS CB C 37 34.789 33.996 0.793 1
1 433 . 1 1 1 A 37 37 LYS N N 37 117.071 124.267 -7.196 1
1 434 . 1 1 1 A 38 38 THR H H 38 7.406 7.878 -0.472 1
1 435 . 1 1 1 A 38 38 THR HA H 38 4.704 4.545 0.159 1
1 440 . 1 1 1 A 38 38 THR C C 38 173.984 175.799 -1.815 1
1 441 . 1 1 1 A 38 38 THR CA C 38 58.248 60.149 -1.901 1
1 442 . 1 1 1 A 38 38 THR CB C 38 72.884 70.612 2.272 1
1 444 . 1 1 1 A 38 38 THR N N 38 106.340 109.032 -2.692 1
1 445 . 1 1 1 A 39 39 VAL H H 39 8.967 9.111 -0.144 1
1 446 . 1 1 1 A 39 39 VAL HA H 39 3.208 3.921 -0.713 1
1 451 . 1 1 1 A 39 39 VAL C C 39 176.735 178.040 -1.305 1
1 452 . 1 1 1 A 39 39 VAL CA C 39 67.315 65.778 1.537 1
1 453 . 1 1 1 A 39 39 VAL CB C 39 30.909 31.744 -0.835 1
1 455 . 1 1 1 A 39 39 VAL N N 39 122.904 122.227 0.677 1
1 456 . 1 1 1 A 40 40 GLU H H 40 8.900 8.208 0.692 1
1 457 . 1 1 1 A 40 40 GLU HA H 40 4.076 4.090 -0.014 1
1 462 . 1 1 1 A 40 40 GLU C C 40 179.355 179.451 -0.096 1
1 463 . 1 1 1 A 40 40 GLU CA C 40 60.061 59.339 0.722 1
1 464 . 1 1 1 A 40 40 GLU CB C 40 28.401 28.946 -0.545 1
1 466 . 1 1 1 A 40 40 GLU N N 40 118.190 122.511 -4.321 1
1 467 . 1 1 1 A 41 41 GLY H H 41 8.199 8.394 -0.195 1
1 468 . 1 1 1 A 41 41 GLY HA2 H 41 4.039 3.738 0.301 1
1 469 . 1 1 1 A 41 41 GLY HA3 H 41 3.919 3.738 0.181 1
1 470 . 1 1 1 A 41 41 GLY C C 41 176.267 176.635 -0.368 1
1 471 . 1 1 1 A 41 41 GLY CA C 41 46.167 47.213 -1.046 1
1 472 . 1 1 1 A 41 41 GLY N N 41 108.663 108.330 0.333 1
1 473 . 1 1 1 A 42 42 VAL H H 42 7.662 7.692 -0.030 1
1 474 . 1 1 1 A 42 42 VAL HA H 42 3.182 3.795 -0.613 1
1 479 . 1 1 1 A 42 42 VAL C C 42 177.014 178.359 -1.345 1
1 480 . 1 1 1 A 42 42 VAL CA C 42 67.030 65.734 1.296 1
1 481 . 1 1 1 A 42 42 VAL CB C 42 30.616 31.764 -1.148 1
1 483 . 1 1 1 A 42 42 VAL N N 42 123.036 121.217 1.819 1
1 484 . 1 1 1 A 43 43 TRP H H 43 7.726 8.354 -0.628 1
1 485 . 1 1 1 A 43 43 TRP HA H 43 4.640 4.258 0.382 1
1 494 . 1 1 1 A 43 43 TRP C C 43 179.135 179.077 0.058 1
1 495 . 1 1 1 A 43 43 TRP CA C 43 59.208 60.084 -0.876 1
1 496 . 1 1 1 A 43 43 TRP CB C 43 29.033 29.078 -0.045 1
1 502 . 1 1 1 A 43 43 TRP N N 43 118.730 120.614 -1.884 1
1 504 . 1 1 1 A 44 44 THR H H 44 8.545 8.311 0.234 1
1 505 . 1 1 1 A 44 44 THR HA H 44 4.223 4.161 0.062 1
1 510 . 1 1 1 A 44 44 THR C C 44 177.189 176.547 0.642 1
1 511 . 1 1 1 A 44 44 THR CA C 44 66.351 67.301 -0.950 1
1 512 . 1 1 1 A 44 44 THR CB C 44 68.921 68.202 0.719 1
1 514 . 1 1 1 A 44 44 THR N N 44 115.228 116.772 -1.544 1
1 515 . 1 1 1 A 45 45 LEU H H 45 7.961 8.069 -0.108 1
1 516 . 1 1 1 A 45 45 LEU HA H 45 4.299 4.039 0.260 1
1 523 . 1 1 1 A 45 45 LEU C C 45 178.301 179.056 -0.755 1
1 524 . 1 1 1 A 45 45 LEU CA C 45 57.759 58.298 -0.539 1
1 525 . 1 1 1 A 45 45 LEU CB C 45 42.462 41.804 0.658 1
1 527 . 1 1 1 A 45 45 LEU N N 45 123.256 121.166 2.090 1
1 528 . 1 1 1 A 46 46 LYS H H 46 8.645 7.980 0.665 1
1 529 . 1 1 1 A 46 46 LYS HA H 46 3.850 3.964 -0.114 1
1 536 . 1 1 1 A 46 46 LYS C C 46 177.716 178.202 -0.486 1
1 537 . 1 1 1 A 46 46 LYS CA C 46 60.731 58.956 1.775 1
1 538 . 1 1 1 A 46 46 LYS CB C 46 30.700 32.116 -1.416 1
1 540 . 1 1 1 A 46 46 LYS N N 46 119.178 117.841 1.337 1
1 541 . 1 1 1 A 47 47 ASP H H 47 7.711 8.036 -0.325 1
1 542 . 1 1 1 A 47 47 ASP HA H 47 4.539 4.324 0.215 1
1 545 . 1 1 1 A 47 47 ASP C C 47 178.755 178.337 0.418 1
1 546 . 1 1 1 A 47 47 ASP CA C 47 57.095 57.407 -0.312 1
1 547 . 1 1 1 A 47 47 ASP CB C 47 40.138 41.477 -1.339 1
1 548 . 1 1 1 A 47 47 ASP N N 47 117.538 119.514 -1.976 1
1 549 . 1 1 1 A 48 48 GLU H H 48 7.951 8.576 -0.625 1
1 550 . 1 1 1 A 48 48 GLU HA H 48 3.989 3.969 0.020 1
1 555 . 1 1 1 A 48 48 GLU C C 48 179.165 179.281 -0.116 1
1 556 . 1 1 1 A 48 48 GLU CA C 48 59.143 58.984 0.159 1
1 557 . 1 1 1 A 48 48 GLU CB C 48 29.783 29.096 0.687 1
1 559 . 1 1 1 A 48 48 GLU N N 48 121.677 118.310 3.367 1
1 560 . 1 1 1 A 49 49 ILE H H 49 8.602 7.559 1.043 1
1 561 . 1 1 1 A 49 49 ILE HA H 49 3.834 3.551 0.283 1
1 568 . 1 1 1 A 49 49 ILE C C 49 177.379 177.998 -0.619 1
1 569 . 1 1 1 A 49 49 ILE CA C 49 64.044 64.609 -0.565 1
1 570 . 1 1 1 A 49 49 ILE CB C 49 37.896 36.529 1.367 1
1 572 . 1 1 1 A 49 49 ILE N N 49 120.326 121.234 -0.908 1
1 573 . 1 1 1 A 50 50 LYS H H 50 7.785 7.603 0.182 1
1 574 . 1 1 1 A 50 50 LYS HA H 50 4.057 4.042 0.015 1
1 583 . 1 1 1 A 50 50 LYS C C 50 177.848 178.086 -0.238 1
1 584 . 1 1 1 A 50 50 LYS CA C 50 59.629 58.922 0.707 1
1 585 . 1 1 1 A 50 50 LYS CB C 50 32.026 32.362 -0.336 1
1 587 . 1 1 1 A 50 50 LYS N N 50 119.242 119.936 -0.694 1
1 588 . 1 1 1 A 51 51 THR H H 51 7.609 7.486 0.123 1
1 589 . 1 1 1 A 51 51 THR HA H 51 4.344 4.417 -0.073 1
1 594 . 1 1 1 A 51 51 THR C C 51 175.360 174.731 0.629 1
1 595 . 1 1 1 A 51 51 THR CA C 51 63.224 63.286 -0.062 1
1 596 . 1 1 1 A 51 51 THR CB C 51 69.781 69.427 0.354 1
1 598 . 1 1 1 A 51 51 THR N N 51 109.871 111.823 -1.952 1
1 599 . 1 1 1 A 52 52 PHE H H 52 7.645 7.799 -0.154 1
1 600 . 1 1 1 A 52 52 PHE HA H 52 4.810 4.039 0.771 1
1 607 . 1 1 1 A 52 52 PHE C C 52 176.750 175.068 1.682 1
1 608 . 1 1 1 A 52 52 PHE CA C 52 56.960 59.210 -2.250 1
1 609 . 1 1 1 A 52 52 PHE CB C 52 37.622 37.319 0.303 1
1 614 . 1 1 1 A 52 52 PHE N N 52 120.960 119.484 1.476 1
1 615 . 1 1 1 A 53 53 THR H H 53 8.124 8.173 -0.049 1
1 616 . 1 1 1 A 53 53 THR HA H 53 4.472 4.305 0.167 1
1 621 . 1 1 1 A 53 53 THR C C 53 174.394 173.203 1.191 1
1 622 . 1 1 1 A 53 53 THR CA C 53 62.464 62.183 0.281 1
1 623 . 1 1 1 A 53 53 THR CB C 53 70.045 68.798 1.247 1
1 625 . 1 1 1 A 53 53 THR N N 53 113.896 112.309 1.587 1
1 626 . 1 1 1 A 54 54 VAL H H 54 8.114 8.229 -0.115 1
1 627 . 1 1 1 A 54 54 VAL HA H 54 4.346 4.650 -0.304 1
1 632 . 1 1 1 A 54 54 VAL C C 54 176.209 174.624 1.585 1
1 633 . 1 1 1 A 54 54 VAL CA C 54 62.128 60.947 1.181 1
1 634 . 1 1 1 A 54 54 VAL CB C 54 32.694 33.359 -0.665 1
1 636 . 1 1 1 A 54 54 VAL N N 54 122.467 117.065 5.402 1
1 637 . 1 1 1 A 55 55 THR H H 55 8.362 8.620 -0.258 1
1 638 . 1 1 1 A 55 55 THR HA H 55 4.409 4.019 0.390 1
1 643 . 1 1 1 A 55 55 THR C C 55 173.648 173.207 0.441 1
1 644 . 1 1 1 A 55 55 THR CA C 55 61.875 62.269 -0.394 1
1 645 . 1 1 1 A 55 55 THR CB C 55 69.860 67.363 2.497 1
1 647 . 1 1 1 A 55 55 THR N N 55 118.624 114.969 3.655 1
1 3 . 2 1 1 A 2 2 THR H H 2 8.109 7.971 0.138 1
1 4 . 2 1 1 A 2 2 THR HA H 2 4.400 3.999 0.401 1
1 9 . 2 1 1 A 2 2 THR C C 2 173.933 173.747 0.186 1
1 10 . 2 1 1 A 2 2 THR CA C 2 61.842 64.085 -2.243 1
1 11 . 2 1 1 A 2 2 THR CB C 2 69.793 69.055 0.738 1
1 13 . 2 1 1 A 2 2 THR N N 2 128.532 117.049 11.483 1
1 14 . 2 1 1 A 3 3 TYR H H 3 8.424 8.008 0.416 1
1 15 . 2 1 1 A 3 3 TYR HA H 3 4.434 4.996 -0.562 1
1 22 . 2 1 1 A 3 3 TYR C C 3 175.696 175.190 0.506 1
1 23 . 2 1 1 A 3 3 TYR CA C 3 58.210 57.161 1.049 1
1 24 . 2 1 1 A 3 3 TYR CB C 3 38.473 40.890 -2.417 1
1 27 . 2 1 1 A 3 3 TYR N N 3 123.975 118.999 4.976 1
1 28 . 2 1 1 A 4 4 LYS H H 4 8.160 9.110 -0.950 1
1 29 . 2 1 1 A 4 4 LYS HA H 4 4.217 5.328 -1.111 1
1 36 . 2 1 1 A 4 4 LYS C C 4 175.989 174.631 1.358 1
1 37 . 2 1 1 A 4 4 LYS CA C 4 56.657 54.220 2.437 1
1 38 . 2 1 1 A 4 4 LYS CB C 4 32.834 36.141 -3.307 1
1 42 . 2 1 1 A 4 4 LYS N N 4 122.591 118.202 4.389 1
1 43 . 2 1 1 A 5 5 LEU H H 5 8.050 8.565 -0.515 1
1 44 . 2 1 1 A 5 5 LEU HA H 5 4.325 4.728 -0.403 1
1 50 . 2 1 1 A 5 5 LEU C C 5 177.233 175.226 2.007 1
1 51 . 2 1 1 A 5 5 LEU CA C 5 55.392 53.152 2.240 1
1 52 . 2 1 1 A 5 5 LEU CB C 5 41.995 44.837 -2.842 1
1 56 . 2 1 1 A 5 5 LEU N N 5 122.335 120.296 2.039 1
1 57 . 2 1 1 A 6 6 ILE H H 6 8.136 8.832 -0.696 1
1 58 . 2 1 1 A 6 6 ILE HA H 6 4.230 4.091 0.139 1
1 68 . 2 1 1 A 6 6 ILE C C 6 176.253 175.315 0.938 1
1 69 . 2 1 1 A 6 6 ILE CA C 6 61.256 61.797 -0.541 1
1 70 . 2 1 1 A 6 6 ILE CB C 6 38.070 36.949 1.121 1
1 74 . 2 1 1 A 6 6 ILE N N 6 122.472 122.052 0.420 1
1 75 . 2 1 1 A 7 7 LEU H H 7 8.234 8.706 -0.472 1
1 76 . 2 1 1 A 7 7 LEU HA H 7 4.521 4.229 0.292 1
1 82 . 2 1 1 A 7 7 LEU C C 7 177.087 177.338 -0.251 1
1 83 . 2 1 1 A 7 7 LEU CA C 7 55.268 57.045 -1.777 1
1 84 . 2 1 1 A 7 7 LEU CB C 7 42.738 42.058 0.680 1
1 87 . 2 1 1 A 7 7 LEU N N 7 125.667 129.705 -4.038 1
1 88 . 2 1 1 A 8 8 ASN H H 8 8.195 7.934 0.261 1
1 89 . 2 1 1 A 8 8 ASN HA H 8 4.801 5.107 -0.306 1
1 94 . 2 1 1 A 8 8 ASN C C 8 175.345 174.483 0.862 1
1 95 . 2 1 1 A 8 8 ASN CA C 8 52.541 53.014 -0.473 1
1 96 . 2 1 1 A 8 8 ASN CB C 8 38.782 39.891 -1.109 1
1 97 . 2 1 1 A 8 8 ASN N N 8 118.150 113.447 4.703 1
1 99 . 2 1 1 A 9 9 LEU H H 9 8.434 8.849 -0.415 1
1 100 . 2 1 1 A 9 9 LEU HA H 9 3.974 4.166 -0.192 1
1 109 . 2 1 1 A 9 9 LEU C C 9 177.160 178.592 -1.432 1
1 110 . 2 1 1 A 9 9 LEU CA C 9 58.418 56.945 1.473 1
1 111 . 2 1 1 A 9 9 LEU CB C 9 42.073 41.984 0.089 1
1 114 . 2 1 1 A 9 9 LEU N N 9 121.944 125.359 -3.415 1
1 115 . 2 1 1 A 10 10 LYS H H 10 8.115 8.311 -0.196 1
1 116 . 2 1 1 A 10 10 LYS HA H 10 3.964 3.883 0.081 1
1 121 . 2 1 1 A 10 10 LYS C C 10 178.535 178.568 -0.033 1
1 122 . 2 1 1 A 10 10 LYS CA C 10 60.121 60.066 0.055 1
1 123 . 2 1 1 A 10 10 LYS CB C 10 32.108 32.199 -0.091 1
1 126 . 2 1 1 A 10 10 LYS N N 10 118.923 118.857 0.066 1
1 127 . 2 1 1 A 11 11 GLN H H 11 7.647 7.989 -0.342 1
1 128 . 2 1 1 A 11 11 GLN HA H 11 4.198 4.032 0.166 1
1 135 . 2 1 1 A 11 11 GLN C C 11 179.267 177.644 1.623 1
1 136 . 2 1 1 A 11 11 GLN CA C 11 59.331 58.606 0.725 1
1 137 . 2 1 1 A 11 11 GLN CB C 11 29.621 28.542 1.079 1
1 139 . 2 1 1 A 11 11 GLN N N 11 117.482 119.022 -1.540 1
1 141 . 2 1 1 A 12 12 ALA H H 12 8.431 7.965 0.466 1
1 142 . 2 1 1 A 12 12 ALA HA H 12 4.200 2.837 1.363 1
1 146 . 2 1 1 A 12 12 ALA C C 12 179.809 179.365 0.444 1
1 147 . 2 1 1 A 12 12 ALA CA C 12 55.484 54.930 0.554 1
1 148 . 2 1 1 A 12 12 ALA CB C 12 18.673 18.083 0.590 1
1 149 . 2 1 1 A 12 12 ALA N N 12 122.387 122.177 0.210 1
1 150 . 2 1 1 A 13 13 LYS H H 13 8.361 8.717 -0.356 1
1 151 . 2 1 1 A 13 13 LYS HA H 13 3.671 3.982 -0.311 1
1 158 . 2 1 1 A 13 13 LYS C C 13 177.701 178.841 -1.140 1
1 159 . 2 1 1 A 13 13 LYS CA C 13 60.773 59.031 1.742 1
1 160 . 2 1 1 A 13 13 LYS CB C 13 33.191 32.247 0.944 1
1 163 . 2 1 1 A 13 13 LYS N N 13 116.790 116.575 0.215 1
1 164 . 2 1 1 A 14 14 GLU H H 14 7.953 8.046 -0.093 1
1 165 . 2 1 1 A 14 14 GLU HA H 14 3.979 3.917 0.062 1
1 170 . 2 1 1 A 14 14 GLU C C 14 178.067 179.066 -0.999 1
1 171 . 2 1 1 A 14 14 GLU CA C 14 59.824 59.708 0.116 1
1 172 . 2 1 1 A 14 14 GLU CB C 14 29.389 28.965 0.424 1
1 174 . 2 1 1 A 14 14 GLU N N 14 116.988 119.322 -2.334 1
1 175 . 2 1 1 A 15 15 GLU H H 15 8.442 7.617 0.825 1
1 176 . 2 1 1 A 15 15 GLU HA H 15 4.053 3.968 0.085 1
1 179 . 2 1 1 A 15 15 GLU C C 15 178.374 178.351 0.023 1
1 180 . 2 1 1 A 15 15 GLU CA C 15 58.307 59.050 -0.743 1
1 181 . 2 1 1 A 15 15 GLU CB C 15 29.030 28.832 0.198 1
1 183 . 2 1 1 A 15 15 GLU N N 15 115.659 118.780 -3.121 1
1 184 . 2 1 1 A 16 16 ALA H H 16 8.555 7.878 0.677 1
1 185 . 2 1 1 A 16 16 ALA HA H 16 4.199 3.974 0.225 1
1 189 . 2 1 1 A 16 16 ALA C C 16 179.399 179.970 -0.571 1
1 190 . 2 1 1 A 16 16 ALA CA C 16 55.233 55.106 0.127 1
1 191 . 2 1 1 A 16 16 ALA CB C 16 17.853 18.459 -0.606 1
1 192 . 2 1 1 A 16 16 ALA N N 16 122.104 121.671 0.433 1
1 193 . 2 1 1 A 17 17 ILE H H 17 8.719 7.566 1.153 1
1 194 . 2 1 1 A 17 17 ILE HA H 17 3.593 3.650 -0.057 1
1 201 . 2 1 1 A 17 17 ILE C C 17 177.131 177.783 -0.652 1
1 202 . 2 1 1 A 17 17 ILE CA C 17 66.796 65.054 1.742 1
1 203 . 2 1 1 A 17 17 ILE CB C 17 37.700 37.642 0.058 1
1 205 . 2 1 1 A 17 17 ILE N N 17 117.581 118.287 -0.706 1
1 206 . 2 1 1 A 18 18 LYS H H 18 7.795 7.900 -0.105 1
1 207 . 2 1 1 A 18 18 LYS HA H 18 4.025 3.898 0.127 1
1 214 . 2 1 1 A 18 18 LYS C C 18 179.340 178.894 0.446 1
1 215 . 2 1 1 A 18 18 LYS CA C 18 59.829 59.781 0.048 1
1 216 . 2 1 1 A 18 18 LYS CB C 18 32.079 32.309 -0.230 1
1 220 . 2 1 1 A 18 18 LYS N N 18 119.291 120.741 -1.450 1
1 221 . 2 1 1 A 19 19 GLU H H 19 8.331 8.841 -0.510 1
1 222 . 2 1 1 A 19 19 GLU HA H 19 4.197 4.011 0.186 1
1 227 . 2 1 1 A 19 19 GLU C C 19 179.926 179.652 0.274 1
1 228 . 2 1 1 A 19 19 GLU CA C 19 58.483 59.008 -0.525 1
1 229 . 2 1 1 A 19 19 GLU CB C 19 28.508 29.355 -0.847 1
1 231 . 2 1 1 A 19 19 GLU N N 19 118.386 118.732 -0.346 1
1 232 . 2 1 1 A 20 20 LEU H H 20 8.270 7.587 0.683 1
1 233 . 2 1 1 A 20 20 LEU HA H 20 4.198 4.083 0.115 1
1 240 . 2 1 1 A 20 20 LEU C C 20 180.511 179.113 1.398 1
1 241 . 2 1 1 A 20 20 LEU CA C 20 57.429 58.064 -0.635 1
1 242 . 2 1 1 A 20 20 LEU CB C 20 40.978 41.352 -0.374 1
1 243 . 2 1 1 A 20 20 LEU N N 20 119.581 121.061 -1.480 1
1 244 . 2 1 1 A 21 21 VAL H H 21 9.479 8.623 0.856 1
1 245 . 2 1 1 A 21 21 VAL HA H 21 3.991 3.614 0.377 1
1 250 . 2 1 1 A 21 21 VAL C C 21 180.906 178.420 2.486 1
1 251 . 2 1 1 A 21 21 VAL CA C 21 66.562 66.860 -0.298 1
1 252 . 2 1 1 A 21 21 VAL CB C 21 31.435 31.514 -0.079 1
1 254 . 2 1 1 A 21 21 VAL N N 21 125.030 119.070 5.960 1
1 255 . 2 1 1 A 22 22 ASP H H 22 8.401 8.801 -0.400 1
1 256 . 2 1 1 A 22 22 ASP HA H 22 4.541 4.499 0.042 1
1 259 . 2 1 1 A 22 22 ASP C C 22 177.204 176.625 0.579 1
1 260 . 2 1 1 A 22 22 ASP CA C 22 57.019 56.242 0.777 1
1 261 . 2 1 1 A 22 22 ASP CB C 22 39.983 40.988 -1.005 1
1 262 . 2 1 1 A 22 22 ASP N N 22 122.749 121.306 1.443 1
1 263 . 2 1 1 A 23 23 ALA H H 23 7.485 7.659 -0.174 1
1 264 . 2 1 1 A 23 23 ALA HA H 23 4.522 4.498 0.024 1
1 268 . 2 1 1 A 23 23 ALA C C 23 177.965 177.337 0.628 1
1 269 . 2 1 1 A 23 23 ALA CA C 23 52.130 53.447 -1.317 1
1 270 . 2 1 1 A 23 23 ALA CB C 23 18.673 21.205 -2.532 1
1 271 . 2 1 1 A 23 23 ALA N N 23 119.207 119.217 -0.010 1
1 272 . 2 1 1 A 24 24 GLY H H 24 8.150 7.605 0.545 1
1 273 . 2 1 1 A 24 24 GLY HA2 H 24 4.183 4.107 0.076 1
1 274 . 2 1 1 A 24 24 GLY HA3 H 24 4.026 4.109 -0.083 1
1 275 . 2 1 1 A 24 24 GLY C C 24 174.731 173.610 1.121 1
1 276 . 2 1 1 A 24 24 GLY CA C 24 45.916 45.420 0.496 1
1 277 . 2 1 1 A 24 24 GLY N N 24 108.009 104.683 3.326 1
1 278 . 2 1 1 A 25 25 THR H H 25 7.786 8.453 -0.667 1
1 279 . 2 1 1 A 25 25 THR HA H 25 4.151 4.331 -0.180 1
1 284 . 2 1 1 A 25 25 THR C C 25 173.194 173.663 -0.469 1
1 285 . 2 1 1 A 25 25 THR CA C 25 63.840 63.791 0.049 1
1 286 . 2 1 1 A 25 25 THR CB C 25 69.255 68.675 0.580 1
1 288 . 2 1 1 A 25 25 THR N N 25 117.202 116.983 0.219 1
1 289 . 2 1 1 A 26 26 ALA H H 26 8.978 8.303 0.675 1
1 290 . 2 1 1 A 26 26 ALA HA H 26 4.391 4.304 0.087 1
1 294 . 2 1 1 A 26 26 ALA C C 26 178.935 178.297 0.638 1
1 295 . 2 1 1 A 26 26 ALA CA C 26 53.038 52.733 0.305 1
1 296 . 2 1 1 A 26 26 ALA CB C 26 18.566 19.371 -0.805 1
1 297 . 2 1 1 A 26 26 ALA N N 26 128.127 126.747 1.380 1
1 298 . 2 1 1 A 27 27 GLU H H 27 8.803 8.851 -0.048 1
1 299 . 2 1 1 A 27 27 GLU HA H 27 3.966 4.118 -0.152 1
1 304 . 2 1 1 A 27 27 GLU C C 27 179.999 178.627 1.372 1
1 305 . 2 1 1 A 27 27 GLU CA C 27 59.465 59.413 0.052 1
1 306 . 2 1 1 A 27 27 GLU CB C 27 29.211 29.230 -0.019 1
1 308 . 2 1 1 A 27 27 GLU N N 27 123.075 125.319 -2.244 1
1 309 . 2 1 1 A 28 28 LYS H H 28 8.455 8.185 0.270 1
1 310 . 2 1 1 A 28 28 LYS HA H 28 4.048 4.048 0.000 1
1 315 . 2 1 1 A 28 28 LYS C C 28 177.394 178.864 -1.470 1
1 316 . 2 1 1 A 28 28 LYS CA C 28 58.951 58.977 -0.026 1
1 317 . 2 1 1 A 28 28 LYS CB C 28 29.504 32.309 -2.805 1
1 320 . 2 1 1 A 28 28 LYS N N 28 119.368 120.433 -1.065 1
1 321 . 2 1 1 A 29 29 TYR H H 29 7.349 7.925 -0.576 1
1 322 . 2 1 1 A 29 29 TYR HA H 29 4.768 4.192 0.576 1
1 329 . 2 1 1 A 29 29 TYR C C 29 177.496 177.899 -0.403 1
1 330 . 2 1 1 A 29 29 TYR CA C 29 58.599 61.216 -2.617 1
1 331 . 2 1 1 A 29 29 TYR CB C 29 38.229 38.711 -0.482 1
1 336 . 2 1 1 A 29 29 TYR N N 29 117.039 120.354 -3.315 1
1 337 . 2 1 1 A 30 30 ILE H H 30 7.535 8.423 -0.888 1
1 338 . 2 1 1 A 30 30 ILE HA H 30 3.638 3.816 -0.178 1
1 348 . 2 1 1 A 30 30 ILE C C 30 178.462 177.793 0.669 1
1 349 . 2 1 1 A 30 30 ILE CA C 30 65.156 63.545 1.611 1
1 350 . 2 1 1 A 30 30 ILE CB C 30 36.867 37.472 -0.605 1
1 353 . 2 1 1 A 30 30 ILE N N 30 120.828 119.905 0.923 1
1 354 . 2 1 1 A 31 31 LYS H H 31 7.862 7.758 0.104 1
1 355 . 2 1 1 A 31 31 LYS HA H 31 4.053 4.068 -0.015 1
1 360 . 2 1 1 A 31 31 LYS C C 31 178.243 178.759 -0.516 1
1 361 . 2 1 1 A 31 31 LYS CA C 31 58.796 58.786 0.010 1
1 362 . 2 1 1 A 31 31 LYS CB C 31 31.723 31.935 -0.212 1
1 365 . 2 1 1 A 31 31 LYS N N 31 116.578 121.528 -4.950 1
1 366 . 2 1 1 A 32 32 LEU H H 32 7.353 8.050 -0.697 1
1 367 . 2 1 1 A 32 32 LEU HA H 32 4.128 4.107 0.021 1
1 373 . 2 1 1 A 32 32 LEU C C 32 180.028 179.130 0.898 1
1 374 . 2 1 1 A 32 32 LEU CA C 32 57.809 57.834 -0.025 1
1 375 . 2 1 1 A 32 32 LEU CB C 32 41.196 41.616 -0.420 1
1 378 . 2 1 1 A 32 32 LEU N N 32 117.030 120.355 -3.325 1
1 379 . 2 1 1 A 33 33 ILE H H 33 7.494 7.751 -0.257 1
1 380 . 2 1 1 A 33 33 ILE HA H 33 3.760 4.016 -0.256 1
1 387 . 2 1 1 A 33 33 ILE C C 33 178.477 177.876 0.601 1
1 388 . 2 1 1 A 33 33 ILE CA C 33 62.407 63.768 -1.361 1
1 389 . 2 1 1 A 33 33 ILE CB C 33 35.407 37.374 -1.967 1
1 391 . 2 1 1 A 33 33 ILE N N 33 118.141 115.335 2.806 1
1 392 . 2 1 1 A 34 34 ALA H H 34 7.777 7.550 0.227 1
1 393 . 2 1 1 A 34 34 ALA HA H 34 4.031 4.009 0.022 1
1 397 . 2 1 1 A 34 34 ALA C C 34 178.857 178.471 0.386 1
1 398 . 2 1 1 A 34 34 ALA CA C 34 54.662 54.676 -0.014 1
1 399 . 2 1 1 A 34 34 ALA CB C 34 18.492 18.738 -0.246 1
1 400 . 2 1 1 A 34 34 ALA N N 34 119.230 124.067 -4.837 1
1 401 . 2 1 1 A 35 35 ASN H H 35 7.418 7.816 -0.398 1
1 402 . 2 1 1 A 35 35 ASN HA H 35 4.863 4.847 0.016 1
1 407 . 2 1 1 A 35 35 ASN C C 35 175.345 175.870 -0.525 1
1 408 . 2 1 1 A 35 35 ASN CA C 35 52.686 53.148 -0.462 1
1 409 . 2 1 1 A 35 35 ASN CB C 35 39.075 39.242 -0.167 1
1 410 . 2 1 1 A 35 35 ASN N N 35 113.022 114.556 -1.534 1
1 412 . 2 1 1 A 36 36 ALA H H 36 7.529 8.276 -0.747 1
1 413 . 2 1 1 A 36 36 ALA HA H 36 4.329 4.076 0.253 1
1 417 . 2 1 1 A 36 36 ALA C C 36 177.862 178.161 -0.299 1
1 418 . 2 1 1 A 36 36 ALA CA C 36 53.389 55.152 -1.763 1
1 419 . 2 1 1 A 36 36 ALA CB C 36 19.141 18.829 0.312 1
1 420 . 2 1 1 A 36 36 ALA N N 36 124.061 122.768 1.293 1
1 421 . 2 1 1 A 37 37 LYS H H 37 8.891 7.858 1.033 1
1 422 . 2 1 1 A 37 37 LYS HA H 37 4.450 3.940 0.510 1
1 427 . 2 1 1 A 37 37 LYS C C 37 176.758 175.559 1.199 1
1 428 . 2 1 1 A 37 37 LYS CA C 37 56.476 58.991 -2.515 1
1 429 . 2 1 1 A 37 37 LYS CB C 37 34.789 30.604 4.185 1
1 433 . 2 1 1 A 37 37 LYS N N 37 117.071 113.965 3.106 1
1 434 . 2 1 1 A 38 38 THR H H 38 7.406 8.531 -1.125 1
1 435 . 2 1 1 A 38 38 THR HA H 38 4.704 4.386 0.318 1
1 440 . 2 1 1 A 38 38 THR C C 38 173.984 175.829 -1.845 1
1 441 . 2 1 1 A 38 38 THR CA C 38 58.248 61.728 -3.480 1
1 442 . 2 1 1 A 38 38 THR CB C 38 72.884 69.994 2.890 1
1 444 . 2 1 1 A 38 38 THR N N 38 106.340 112.096 -5.756 1
1 445 . 2 1 1 A 39 39 VAL H H 39 8.967 8.713 0.254 1
1 446 . 2 1 1 A 39 39 VAL HA H 39 3.208 3.769 -0.561 1
1 451 . 2 1 1 A 39 39 VAL C C 39 176.735 177.709 -0.974 1
1 452 . 2 1 1 A 39 39 VAL CA C 39 67.315 67.127 0.188 1
1 453 . 2 1 1 A 39 39 VAL CB C 39 30.909 32.149 -1.240 1
1 455 . 2 1 1 A 39 39 VAL N N 39 122.904 123.694 -0.790 1
1 456 . 2 1 1 A 40 40 GLU H H 40 8.900 8.481 0.419 1
1 457 . 2 1 1 A 40 40 GLU HA H 40 4.076 4.043 0.033 1
1 462 . 2 1 1 A 40 40 GLU C C 40 179.355 179.228 0.127 1
1 463 . 2 1 1 A 40 40 GLU CA C 40 60.061 59.566 0.495 1
1 464 . 2 1 1 A 40 40 GLU CB C 40 28.401 29.252 -0.851 1
1 466 . 2 1 1 A 40 40 GLU N N 40 118.190 120.410 -2.220 1
1 467 . 2 1 1 A 41 41 GLY H H 41 8.199 8.306 -0.107 1
1 468 . 2 1 1 A 41 41 GLY HA2 H 41 4.039 3.709 0.330 1
1 469 . 2 1 1 A 41 41 GLY HA3 H 41 3.919 3.711 0.208 1
1 470 . 2 1 1 A 41 41 GLY C C 41 176.267 176.582 -0.315 1
1 471 . 2 1 1 A 41 41 GLY CA C 41 46.167 47.041 -0.874 1
1 472 . 2 1 1 A 41 41 GLY N N 41 108.663 107.791 0.872 1
1 473 . 2 1 1 A 42 42 VAL H H 42 7.662 7.750 -0.088 1
1 474 . 2 1 1 A 42 42 VAL HA H 42 3.182 3.800 -0.618 1
1 479 . 2 1 1 A 42 42 VAL C C 42 177.014 178.465 -1.451 1
1 480 . 2 1 1 A 42 42 VAL CA C 42 67.030 65.759 1.271 1
1 481 . 2 1 1 A 42 42 VAL CB C 42 30.616 31.759 -1.143 1
1 483 . 2 1 1 A 42 42 VAL N N 42 123.036 121.185 1.851 1
1 484 . 2 1 1 A 43 43 TRP H H 43 7.726 8.332 -0.606 1
1 485 . 2 1 1 A 43 43 TRP HA H 43 4.640 4.417 0.223 1
1 494 . 2 1 1 A 43 43 TRP C C 43 179.135 178.671 0.464 1
1 495 . 2 1 1 A 43 43 TRP CA C 43 59.208 60.075 -0.867 1
1 496 . 2 1 1 A 43 43 TRP CB C 43 29.033 29.095 -0.062 1
1 502 . 2 1 1 A 43 43 TRP N N 43 118.730 120.468 -1.738 1
1 504 . 2 1 1 A 44 44 THR H H 44 8.545 8.102 0.443 1
1 505 . 2 1 1 A 44 44 THR HA H 44 4.223 4.129 0.094 1
1 510 . 2 1 1 A 44 44 THR C C 44 177.189 176.816 0.373 1
1 511 . 2 1 1 A 44 44 THR CA C 44 66.351 65.469 0.882 1
1 512 . 2 1 1 A 44 44 THR CB C 44 68.921 68.383 0.538 1
1 514 . 2 1 1 A 44 44 THR N N 44 115.228 113.279 1.949 1
1 515 . 2 1 1 A 45 45 LEU H H 45 7.961 8.035 -0.074 1
1 516 . 2 1 1 A 45 45 LEU HA H 45 4.299 3.807 0.492 1
1 523 . 2 1 1 A 45 45 LEU C C 45 178.301 179.165 -0.864 1
1 524 . 2 1 1 A 45 45 LEU CA C 45 57.759 58.264 -0.505 1
1 525 . 2 1 1 A 45 45 LEU CB C 45 42.462 41.629 0.833 1
1 527 . 2 1 1 A 45 45 LEU N N 45 123.256 123.452 -0.196 1
1 528 . 2 1 1 A 46 46 LYS H H 46 8.645 7.954 0.691 1
1 529 . 2 1 1 A 46 46 LYS HA H 46 3.850 3.947 -0.097 1
1 536 . 2 1 1 A 46 46 LYS C C 46 177.716 178.436 -0.720 1
1 537 . 2 1 1 A 46 46 LYS CA C 46 60.731 59.058 1.673 1
1 538 . 2 1 1 A 46 46 LYS CB C 46 30.700 32.114 -1.414 1
1 540 . 2 1 1 A 46 46 LYS N N 46 119.178 117.836 1.342 1
1 541 . 2 1 1 A 47 47 ASP H H 47 7.711 7.805 -0.094 1
1 542 . 2 1 1 A 47 47 ASP HA H 47 4.539 4.350 0.189 1
1 545 . 2 1 1 A 47 47 ASP C C 47 178.755 178.780 -0.025 1
1 546 . 2 1 1 A 47 47 ASP CA C 47 57.095 56.759 0.336 1
1 547 . 2 1 1 A 47 47 ASP CB C 47 40.138 40.845 -0.707 1
1 548 . 2 1 1 A 47 47 ASP N N 47 117.538 120.036 -2.498 1
1 549 . 2 1 1 A 48 48 GLU H H 48 7.951 8.582 -0.631 1
1 550 . 2 1 1 A 48 48 GLU HA H 48 3.989 4.069 -0.080 1
1 555 . 2 1 1 A 48 48 GLU C C 48 179.165 179.118 0.047 1
1 556 . 2 1 1 A 48 48 GLU CA C 48 59.143 58.749 0.394 1
1 557 . 2 1 1 A 48 48 GLU CB C 48 29.783 29.321 0.462 1
1 559 . 2 1 1 A 48 48 GLU N N 48 121.677 118.855 2.822 1
1 560 . 2 1 1 A 49 49 ILE H H 49 8.602 7.347 1.255 1
1 561 . 2 1 1 A 49 49 ILE HA H 49 3.834 3.831 0.003 1
1 568 . 2 1 1 A 49 49 ILE C C 49 177.379 179.085 -1.706 1
1 569 . 2 1 1 A 49 49 ILE CA C 49 64.044 64.715 -0.671 1
1 570 . 2 1 1 A 49 49 ILE CB C 49 37.896 37.143 0.753 1
1 572 . 2 1 1 A 49 49 ILE N N 49 120.326 120.603 -0.277 1
1 573 . 2 1 1 A 50 50 LYS H H 50 7.785 7.601 0.184 1
1 574 . 2 1 1 A 50 50 LYS HA H 50 4.057 4.160 -0.103 1
1 583 . 2 1 1 A 50 50 LYS C C 50 177.848 177.701 0.147 1
1 584 . 2 1 1 A 50 50 LYS CA C 50 59.629 58.960 0.669 1
1 585 . 2 1 1 A 50 50 LYS CB C 50 32.026 32.282 -0.256 1
1 587 . 2 1 1 A 50 50 LYS N N 50 119.242 119.709 -0.467 1
1 588 . 2 1 1 A 51 51 THR H H 51 7.609 7.569 0.040 1
1 589 . 2 1 1 A 51 51 THR HA H 51 4.344 4.424 -0.080 1
1 594 . 2 1 1 A 51 51 THR C C 51 175.360 175.628 -0.268 1
1 595 . 2 1 1 A 51 51 THR CA C 51 63.224 62.807 0.417 1
1 596 . 2 1 1 A 51 51 THR CB C 51 69.781 70.661 -0.880 1
1 598 . 2 1 1 A 51 51 THR N N 51 109.871 108.679 1.192 1
1 599 . 2 1 1 A 52 52 PHE H H 52 7.645 8.521 -0.876 1
1 600 . 2 1 1 A 52 52 PHE HA H 52 4.810 4.330 0.480 1
1 607 . 2 1 1 A 52 52 PHE C C 52 176.750 175.432 1.318 1
1 608 . 2 1 1 A 52 52 PHE CA C 52 56.960 58.973 -2.013 1
1 609 . 2 1 1 A 52 52 PHE CB C 52 37.622 37.497 0.125 1
1 614 . 2 1 1 A 52 52 PHE N N 52 120.960 121.185 -0.225 1
1 615 . 2 1 1 A 53 53 THR H H 53 8.124 7.872 0.252 1
1 616 . 2 1 1 A 53 53 THR HA H 53 4.472 4.598 -0.126 1
1 621 . 2 1 1 A 53 53 THR C C 53 174.394 173.661 0.733 1
1 622 . 2 1 1 A 53 53 THR CA C 53 62.464 61.675 0.789 1
1 623 . 2 1 1 A 53 53 THR CB C 53 70.045 68.703 1.342 1
1 625 . 2 1 1 A 53 53 THR N N 53 113.896 114.995 -1.099 1
1 626 . 2 1 1 A 54 54 VAL H H 54 8.114 8.356 -0.242 1
1 627 . 2 1 1 A 54 54 VAL HA H 54 4.346 4.562 -0.216 1
1 632 . 2 1 1 A 54 54 VAL C C 54 176.209 173.440 2.769 1
1 633 . 2 1 1 A 54 54 VAL CA C 54 62.128 60.611 1.517 1
1 634 . 2 1 1 A 54 54 VAL CB C 54 32.694 34.602 -1.908 1
1 636 . 2 1 1 A 54 54 VAL N N 54 122.467 125.404 -2.937 1
1 637 . 2 1 1 A 55 55 THR H H 55 8.362 8.413 -0.051 1
1 638 . 2 1 1 A 55 55 THR HA H 55 4.409 4.486 -0.077 1
1 643 . 2 1 1 A 55 55 THR C C 55 173.648 173.461 0.187 1
1 644 . 2 1 1 A 55 55 THR CA C 55 61.875 62.486 -0.611 1
1 645 . 2 1 1 A 55 55 THR CB C 55 69.860 69.451 0.409 1
1 647 . 2 1 1 A 55 55 THR N N 55 118.624 121.151 -2.527 1
1 3 . 3 1 1 A 2 2 THR H H 2 8.109 8.921 -0.812 1
1 4 . 3 1 1 A 2 2 THR HA H 2 4.400 4.915 -0.515 1
1 9 . 3 1 1 A 2 2 THR C C 2 173.933 172.373 1.560 1
1 10 . 3 1 1 A 2 2 THR CA C 2 61.842 61.056 0.786 1
1 11 . 3 1 1 A 2 2 THR CB C 2 69.793 70.616 -0.823 1
1 13 . 3 1 1 A 2 2 THR N N 2 128.532 122.171 6.361 1
1 14 . 3 1 1 A 3 3 TYR H H 3 8.424 8.952 -0.528 1
1 15 . 3 1 1 A 3 3 TYR HA H 3 4.434 4.713 -0.279 1
1 22 . 3 1 1 A 3 3 TYR C C 3 175.696 174.896 0.800 1
1 23 . 3 1 1 A 3 3 TYR CA C 3 58.210 57.195 1.015 1
1 24 . 3 1 1 A 3 3 TYR CB C 3 38.473 39.660 -1.187 1
1 27 . 3 1 1 A 3 3 TYR N N 3 123.975 129.241 -5.266 1
1 28 . 3 1 1 A 4 4 LYS H H 4 8.160 9.320 -1.160 1
1 29 . 3 1 1 A 4 4 LYS HA H 4 4.217 3.908 0.309 1
1 36 . 3 1 1 A 4 4 LYS C C 4 175.989 176.063 -0.074 1
1 37 . 3 1 1 A 4 4 LYS CA C 4 56.657 57.370 -0.713 1
1 38 . 3 1 1 A 4 4 LYS CB C 4 32.834 30.302 2.532 1
1 42 . 3 1 1 A 4 4 LYS N N 4 122.591 125.977 -3.386 1
1 43 . 3 1 1 A 5 5 LEU H H 5 8.050 8.519 -0.469 1
1 44 . 3 1 1 A 5 5 LEU HA H 5 4.325 4.329 -0.004 1
1 50 . 3 1 1 A 5 5 LEU C C 5 177.233 175.442 1.791 1
1 51 . 3 1 1 A 5 5 LEU CA C 5 55.392 57.380 -1.988 1
1 52 . 3 1 1 A 5 5 LEU CB C 5 41.995 41.325 0.670 1
1 56 . 3 1 1 A 5 5 LEU N N 5 122.335 115.302 7.033 1
1 57 . 3 1 1 A 6 6 ILE H H 6 8.136 8.710 -0.574 1
1 58 . 3 1 1 A 6 6 ILE HA H 6 4.230 4.239 -0.009 1
1 68 . 3 1 1 A 6 6 ILE C C 6 176.253 175.861 0.392 1
1 69 . 3 1 1 A 6 6 ILE CA C 6 61.256 61.932 -0.676 1
1 70 . 3 1 1 A 6 6 ILE CB C 6 38.070 37.506 0.564 1
1 74 . 3 1 1 A 6 6 ILE N N 6 122.472 123.311 -0.839 1
1 75 . 3 1 1 A 7 7 LEU H H 7 8.234 8.952 -0.718 1
1 76 . 3 1 1 A 7 7 LEU HA H 7 4.521 4.638 -0.117 1
1 82 . 3 1 1 A 7 7 LEU C C 7 177.087 176.592 0.495 1
1 83 . 3 1 1 A 7 7 LEU CA C 7 55.268 55.689 -0.421 1
1 84 . 3 1 1 A 7 7 LEU CB C 7 42.738 44.889 -2.151 1
1 87 . 3 1 1 A 7 7 LEU N N 7 125.667 127.811 -2.144 1
1 88 . 3 1 1 A 8 8 ASN H H 8 8.195 8.201 -0.006 1
1 89 . 3 1 1 A 8 8 ASN HA H 8 4.801 5.108 -0.307 1
1 94 . 3 1 1 A 8 8 ASN C C 8 175.345 174.999 0.346 1
1 95 . 3 1 1 A 8 8 ASN CA C 8 52.541 52.095 0.446 1
1 96 . 3 1 1 A 8 8 ASN CB C 8 38.782 40.463 -1.681 1
1 97 . 3 1 1 A 8 8 ASN N N 8 118.150 116.888 1.262 1
1 99 . 3 1 1 A 9 9 LEU H H 9 8.434 8.714 -0.280 1
1 100 . 3 1 1 A 9 9 LEU HA H 9 3.974 4.003 -0.029 1
1 109 . 3 1 1 A 9 9 LEU C C 9 177.160 178.493 -1.333 1
1 110 . 3 1 1 A 9 9 LEU CA C 9 58.418 56.905 1.513 1
1 111 . 3 1 1 A 9 9 LEU CB C 9 42.073 41.972 0.101 1
1 114 . 3 1 1 A 9 9 LEU N N 9 121.944 126.141 -4.197 1
1 115 . 3 1 1 A 10 10 LYS H H 10 8.115 8.132 -0.017 1
1 116 . 3 1 1 A 10 10 LYS HA H 10 3.964 3.882 0.082 1
1 121 . 3 1 1 A 10 10 LYS C C 10 178.535 178.940 -0.405 1
1 122 . 3 1 1 A 10 10 LYS CA C 10 60.121 60.197 -0.076 1
1 123 . 3 1 1 A 10 10 LYS CB C 10 32.108 32.033 0.075 1
1 126 . 3 1 1 A 10 10 LYS N N 10 118.923 118.659 0.264 1
1 127 . 3 1 1 A 11 11 GLN H H 11 7.647 7.676 -0.029 1
1 128 . 3 1 1 A 11 11 GLN HA H 11 4.198 4.070 0.128 1
1 135 . 3 1 1 A 11 11 GLN C C 11 179.267 177.973 1.294 1
1 136 . 3 1 1 A 11 11 GLN CA C 11 59.331 58.925 0.406 1
1 137 . 3 1 1 A 11 11 GLN CB C 11 29.621 28.946 0.675 1
1 139 . 3 1 1 A 11 11 GLN N N 11 117.482 119.124 -1.642 1
1 141 . 3 1 1 A 12 12 ALA H H 12 8.431 7.854 0.577 1
1 142 . 3 1 1 A 12 12 ALA HA H 12 4.200 2.665 1.535 1
1 146 . 3 1 1 A 12 12 ALA C C 12 179.809 178.950 0.859 1
1 147 . 3 1 1 A 12 12 ALA CA C 12 55.484 54.635 0.849 1
1 148 . 3 1 1 A 12 12 ALA CB C 12 18.673 17.257 1.416 1
1 149 . 3 1 1 A 12 12 ALA N N 12 122.387 121.608 0.779 1
1 150 . 3 1 1 A 13 13 LYS H H 13 8.361 8.640 -0.279 1
1 151 . 3 1 1 A 13 13 LYS HA H 13 3.671 3.747 -0.076 1
1 158 . 3 1 1 A 13 13 LYS C C 13 177.701 179.335 -1.634 1
1 159 . 3 1 1 A 13 13 LYS CA C 13 60.773 59.558 1.215 1
1 160 . 3 1 1 A 13 13 LYS CB C 13 33.191 32.295 0.896 1
1 163 . 3 1 1 A 13 13 LYS N N 13 116.790 116.963 -0.173 1
1 164 . 3 1 1 A 14 14 GLU H H 14 7.953 8.777 -0.824 1
1 165 . 3 1 1 A 14 14 GLU HA H 14 3.979 3.994 -0.015 1
1 170 . 3 1 1 A 14 14 GLU C C 14 178.067 178.851 -0.784 1
1 171 . 3 1 1 A 14 14 GLU CA C 14 59.824 59.099 0.725 1
1 172 . 3 1 1 A 14 14 GLU CB C 14 29.389 29.116 0.273 1
1 174 . 3 1 1 A 14 14 GLU N N 14 116.988 118.030 -1.042 1
1 175 . 3 1 1 A 15 15 GLU H H 15 8.442 7.906 0.536 1
1 176 . 3 1 1 A 15 15 GLU HA H 15 4.053 4.109 -0.056 1
1 179 . 3 1 1 A 15 15 GLU C C 15 178.374 178.446 -0.072 1
1 180 . 3 1 1 A 15 15 GLU CA C 15 58.307 58.847 -0.540 1
1 181 . 3 1 1 A 15 15 GLU CB C 15 29.030 29.074 -0.044 1
1 183 . 3 1 1 A 15 15 GLU N N 15 115.659 120.216 -4.557 1
1 184 . 3 1 1 A 16 16 ALA H H 16 8.555 8.488 0.067 1
1 185 . 3 1 1 A 16 16 ALA HA H 16 4.199 4.004 0.195 1
1 189 . 3 1 1 A 16 16 ALA C C 16 179.399 179.966 -0.567 1
1 190 . 3 1 1 A 16 16 ALA CA C 16 55.233 55.255 -0.022 1
1 191 . 3 1 1 A 16 16 ALA CB C 16 17.853 17.765 0.088 1
1 192 . 3 1 1 A 16 16 ALA N N 16 122.104 121.957 0.147 1
1 193 . 3 1 1 A 17 17 ILE H H 17 8.719 7.526 1.193 1
1 194 . 3 1 1 A 17 17 ILE HA H 17 3.593 3.651 -0.058 1
1 201 . 3 1 1 A 17 17 ILE C C 17 177.131 177.726 -0.595 1
1 202 . 3 1 1 A 17 17 ILE CA C 17 66.796 65.170 1.626 1
1 203 . 3 1 1 A 17 17 ILE CB C 17 37.700 37.603 0.097 1
1 205 . 3 1 1 A 17 17 ILE N N 17 117.581 118.475 -0.894 1
1 206 . 3 1 1 A 18 18 LYS H H 18 7.795 7.924 -0.129 1
1 207 . 3 1 1 A 18 18 LYS HA H 18 4.025 3.918 0.107 1
1 214 . 3 1 1 A 18 18 LYS C C 18 179.340 178.836 0.504 1
1 215 . 3 1 1 A 18 18 LYS CA C 18 59.829 59.817 0.012 1
1 216 . 3 1 1 A 18 18 LYS CB C 18 32.079 32.273 -0.194 1
1 220 . 3 1 1 A 18 18 LYS N N 18 119.291 120.861 -1.570 1
1 221 . 3 1 1 A 19 19 GLU H H 19 8.331 8.588 -0.257 1
1 222 . 3 1 1 A 19 19 GLU HA H 19 4.197 4.106 0.091 1
1 227 . 3 1 1 A 19 19 GLU C C 19 179.926 178.844 1.082 1
1 228 . 3 1 1 A 19 19 GLU CA C 19 58.483 59.176 -0.693 1
1 229 . 3 1 1 A 19 19 GLU CB C 19 28.508 29.579 -1.071 1
1 231 . 3 1 1 A 19 19 GLU N N 19 118.386 118.919 -0.533 1
1 232 . 3 1 1 A 20 20 LEU H H 20 8.270 7.653 0.617 1
1 233 . 3 1 1 A 20 20 LEU HA H 20 4.198 4.109 0.089 1
1 240 . 3 1 1 A 20 20 LEU C C 20 180.511 179.068 1.443 1
1 241 . 3 1 1 A 20 20 LEU CA C 20 57.429 58.015 -0.586 1
1 242 . 3 1 1 A 20 20 LEU CB C 20 40.978 41.749 -0.771 1
1 243 . 3 1 1 A 20 20 LEU N N 20 119.581 120.693 -1.112 1
1 244 . 3 1 1 A 21 21 VAL H H 21 9.479 8.760 0.719 1
1 245 . 3 1 1 A 21 21 VAL HA H 21 3.991 3.557 0.434 1
1 250 . 3 1 1 A 21 21 VAL C C 21 180.906 178.553 2.353 1
1 251 . 3 1 1 A 21 21 VAL CA C 21 66.562 67.054 -0.492 1
1 252 . 3 1 1 A 21 21 VAL CB C 21 31.435 31.359 0.076 1
1 254 . 3 1 1 A 21 21 VAL N N 21 125.030 119.358 5.672 1
1 255 . 3 1 1 A 22 22 ASP H H 22 8.401 8.842 -0.441 1
1 256 . 3 1 1 A 22 22 ASP HA H 22 4.541 4.502 0.039 1
1 259 . 3 1 1 A 22 22 ASP C C 22 177.204 176.377 0.827 1
1 260 . 3 1 1 A 22 22 ASP CA C 22 57.019 56.273 0.746 1
1 261 . 3 1 1 A 22 22 ASP CB C 22 39.983 40.855 -0.872 1
1 262 . 3 1 1 A 22 22 ASP N N 22 122.749 121.623 1.126 1
1 263 . 3 1 1 A 23 23 ALA H H 23 7.485 7.619 -0.134 1
1 264 . 3 1 1 A 23 23 ALA HA H 23 4.522 4.605 -0.083 1
1 268 . 3 1 1 A 23 23 ALA C C 23 177.965 177.041 0.924 1
1 269 . 3 1 1 A 23 23 ALA CA C 23 52.130 53.199 -1.069 1
1 270 . 3 1 1 A 23 23 ALA CB C 23 18.673 21.178 -2.505 1
1 271 . 3 1 1 A 23 23 ALA N N 23 119.207 119.999 -0.792 1
1 272 . 3 1 1 A 24 24 GLY H H 24 8.150 7.679 0.471 1
1 273 . 3 1 1 A 24 24 GLY HA2 H 24 4.183 4.134 0.049 1
1 274 . 3 1 1 A 24 24 GLY HA3 H 24 4.026 4.135 -0.109 1
1 275 . 3 1 1 A 24 24 GLY C C 24 174.731 173.686 1.045 1
1 276 . 3 1 1 A 24 24 GLY CA C 24 45.916 45.757 0.159 1
1 277 . 3 1 1 A 24 24 GLY N N 24 108.009 103.869 4.140 1
1 278 . 3 1 1 A 25 25 THR H H 25 7.786 8.473 -0.687 1
1 279 . 3 1 1 A 25 25 THR HA H 25 4.151 4.327 -0.176 1
1 284 . 3 1 1 A 25 25 THR C C 25 173.194 173.667 -0.473 1
1 285 . 3 1 1 A 25 25 THR CA C 25 63.840 63.912 -0.072 1
1 286 . 3 1 1 A 25 25 THR CB C 25 69.255 68.696 0.559 1
1 288 . 3 1 1 A 25 25 THR N N 25 117.202 115.509 1.693 1
1 289 . 3 1 1 A 26 26 ALA H H 26 8.978 8.421 0.557 1
1 290 . 3 1 1 A 26 26 ALA HA H 26 4.391 4.313 0.078 1
1 294 . 3 1 1 A 26 26 ALA C C 26 178.935 178.629 0.306 1
1 295 . 3 1 1 A 26 26 ALA CA C 26 53.038 51.839 1.199 1
1 296 . 3 1 1 A 26 26 ALA CB C 26 18.566 18.791 -0.225 1
1 297 . 3 1 1 A 26 26 ALA N N 26 128.127 126.759 1.368 1
1 298 . 3 1 1 A 27 27 GLU H H 27 8.803 8.466 0.337 1
1 299 . 3 1 1 A 27 27 GLU HA H 27 3.966 4.083 -0.117 1
1 304 . 3 1 1 A 27 27 GLU C C 27 179.999 178.426 1.573 1
1 305 . 3 1 1 A 27 27 GLU CA C 27 59.465 59.079 0.386 1
1 306 . 3 1 1 A 27 27 GLU CB C 27 29.211 28.851 0.360 1
1 308 . 3 1 1 A 27 27 GLU N N 27 123.075 124.905 -1.830 1
1 309 . 3 1 1 A 28 28 LYS H H 28 8.455 8.216 0.239 1
1 310 . 3 1 1 A 28 28 LYS HA H 28 4.048 4.087 -0.039 1
1 315 . 3 1 1 A 28 28 LYS C C 28 177.394 178.214 -0.820 1
1 316 . 3 1 1 A 28 28 LYS CA C 28 58.951 59.041 -0.090 1
1 317 . 3 1 1 A 28 28 LYS CB C 28 29.504 32.062 -2.558 1
1 320 . 3 1 1 A 28 28 LYS N N 28 119.368 119.090 0.278 1
1 321 . 3 1 1 A 29 29 TYR H H 29 7.349 7.932 -0.583 1
1 322 . 3 1 1 A 29 29 TYR HA H 29 4.768 4.140 0.628 1
1 329 . 3 1 1 A 29 29 TYR C C 29 177.496 178.034 -0.538 1
1 330 . 3 1 1 A 29 29 TYR CA C 29 58.599 61.109 -2.510 1
1 331 . 3 1 1 A 29 29 TYR CB C 29 38.229 38.654 -0.425 1
1 336 . 3 1 1 A 29 29 TYR N N 29 117.039 119.906 -2.867 1
1 337 . 3 1 1 A 30 30 ILE H H 30 7.535 8.484 -0.949 1
1 338 . 3 1 1 A 30 30 ILE HA H 30 3.638 3.795 -0.157 1
1 348 . 3 1 1 A 30 30 ILE C C 30 178.462 178.057 0.405 1
1 349 . 3 1 1 A 30 30 ILE CA C 30 65.156 65.116 0.040 1
1 350 . 3 1 1 A 30 30 ILE CB C 30 36.867 37.510 -0.643 1
1 353 . 3 1 1 A 30 30 ILE N N 30 120.828 120.121 0.707 1
1 354 . 3 1 1 A 31 31 LYS H H 31 7.862 8.227 -0.365 1
1 355 . 3 1 1 A 31 31 LYS HA H 31 4.053 4.024 0.029 1
1 360 . 3 1 1 A 31 31 LYS C C 31 178.243 179.162 -0.919 1
1 361 . 3 1 1 A 31 31 LYS CA C 31 58.796 59.137 -0.341 1
1 362 . 3 1 1 A 31 31 LYS CB C 31 31.723 32.080 -0.357 1
1 365 . 3 1 1 A 31 31 LYS N N 31 116.578 121.282 -4.704 1
1 366 . 3 1 1 A 32 32 LEU H H 32 7.353 7.909 -0.556 1
1 367 . 3 1 1 A 32 32 LEU HA H 32 4.128 4.079 0.049 1
1 373 . 3 1 1 A 32 32 LEU C C 32 180.028 178.973 1.055 1
1 374 . 3 1 1 A 32 32 LEU CA C 32 57.809 57.997 -0.188 1
1 375 . 3 1 1 A 32 32 LEU CB C 32 41.196 41.653 -0.457 1
1 378 . 3 1 1 A 32 32 LEU N N 32 117.030 120.166 -3.136 1
1 379 . 3 1 1 A 33 33 ILE H H 33 7.494 7.894 -0.400 1
1 380 . 3 1 1 A 33 33 ILE HA H 33 3.760 3.966 -0.206 1
1 387 . 3 1 1 A 33 33 ILE C C 33 178.477 177.835 0.642 1
1 388 . 3 1 1 A 33 33 ILE CA C 33 62.407 63.721 -1.314 1
1 389 . 3 1 1 A 33 33 ILE CB C 33 35.407 37.319 -1.912 1
1 391 . 3 1 1 A 33 33 ILE N N 33 118.141 115.088 3.053 1
1 392 . 3 1 1 A 34 34 ALA H H 34 7.777 7.460 0.317 1
1 393 . 3 1 1 A 34 34 ALA HA H 34 4.031 3.992 0.039 1
1 397 . 3 1 1 A 34 34 ALA C C 34 178.857 178.480 0.377 1
1 398 . 3 1 1 A 34 34 ALA CA C 34 54.662 54.632 0.030 1
1 399 . 3 1 1 A 34 34 ALA CB C 34 18.492 18.639 -0.147 1
1 400 . 3 1 1 A 34 34 ALA N N 34 119.230 124.011 -4.781 1
1 401 . 3 1 1 A 35 35 ASN H H 35 7.418 7.792 -0.374 1
1 402 . 3 1 1 A 35 35 ASN HA H 35 4.863 4.730 0.133 1
1 407 . 3 1 1 A 35 35 ASN C C 35 175.345 175.679 -0.334 1
1 408 . 3 1 1 A 35 35 ASN CA C 35 52.686 53.388 -0.702 1
1 409 . 3 1 1 A 35 35 ASN CB C 35 39.075 38.822 0.253 1
1 410 . 3 1 1 A 35 35 ASN N N 35 113.022 114.486 -1.464 1
1 412 . 3 1 1 A 36 36 ALA H H 36 7.529 8.086 -0.557 1
1 413 . 3 1 1 A 36 36 ALA HA H 36 4.329 4.047 0.282 1
1 417 . 3 1 1 A 36 36 ALA C C 36 177.862 178.168 -0.306 1
1 418 . 3 1 1 A 36 36 ALA CA C 36 53.389 53.267 0.122 1
1 419 . 3 1 1 A 36 36 ALA CB C 36 19.141 19.140 0.001 1
1 420 . 3 1 1 A 36 36 ALA N N 36 124.061 122.818 1.243 1
1 421 . 3 1 1 A 37 37 LYS H H 37 8.891 8.802 0.089 1
1 422 . 3 1 1 A 37 37 LYS HA H 37 4.450 4.568 -0.118 1
1 427 . 3 1 1 A 37 37 LYS C C 37 176.758 176.075 0.683 1
1 428 . 3 1 1 A 37 37 LYS CA C 37 56.476 56.657 -0.181 1
1 429 . 3 1 1 A 37 37 LYS CB C 37 34.789 34.028 0.761 1
1 433 . 3 1 1 A 37 37 LYS N N 37 117.071 119.449 -2.378 1
1 434 . 3 1 1 A 38 38 THR H H 38 7.406 7.693 -0.287 1
1 435 . 3 1 1 A 38 38 THR HA H 38 4.704 4.687 0.017 1
1 440 . 3 1 1 A 38 38 THR C C 38 173.984 175.597 -1.613 1
1 441 . 3 1 1 A 38 38 THR CA C 38 58.248 59.214 -0.966 1
1 442 . 3 1 1 A 38 38 THR CB C 38 72.884 71.320 1.564 1
1 444 . 3 1 1 A 38 38 THR N N 38 106.340 110.199 -3.859 1
1 445 . 3 1 1 A 39 39 VAL H H 39 8.967 9.117 -0.150 1
1 446 . 3 1 1 A 39 39 VAL HA H 39 3.208 3.674 -0.466 1
1 451 . 3 1 1 A 39 39 VAL C C 39 176.735 177.863 -1.128 1
1 452 . 3 1 1 A 39 39 VAL CA C 39 67.315 65.785 1.530 1
1 453 . 3 1 1 A 39 39 VAL CB C 39 30.909 31.869 -0.960 1
1 455 . 3 1 1 A 39 39 VAL N N 39 122.904 121.508 1.396 1
1 456 . 3 1 1 A 40 40 GLU H H 40 8.900 8.789 0.111 1
1 457 . 3 1 1 A 40 40 GLU HA H 40 4.076 4.283 -0.207 1
1 462 . 3 1 1 A 40 40 GLU C C 40 179.355 179.817 -0.462 1
1 463 . 3 1 1 A 40 40 GLU CA C 40 60.061 59.877 0.184 1
1 464 . 3 1 1 A 40 40 GLU CB C 40 28.401 29.286 -0.885 1
1 466 . 3 1 1 A 40 40 GLU N N 40 118.190 122.278 -4.088 1
1 467 . 3 1 1 A 41 41 GLY H H 41 8.199 8.384 -0.185 1
1 468 . 3 1 1 A 41 41 GLY HA2 H 41 4.039 3.748 0.291 1
1 469 . 3 1 1 A 41 41 GLY HA3 H 41 3.919 3.769 0.150 1
1 470 . 3 1 1 A 41 41 GLY C C 41 176.267 176.797 -0.530 1
1 471 . 3 1 1 A 41 41 GLY CA C 41 46.167 47.023 -0.856 1
1 472 . 3 1 1 A 41 41 GLY N N 41 108.663 108.688 -0.025 1
1 473 . 3 1 1 A 42 42 VAL H H 42 7.662 7.539 0.123 1
1 474 . 3 1 1 A 42 42 VAL HA H 42 3.182 3.689 -0.507 1
1 479 . 3 1 1 A 42 42 VAL C C 42 177.014 178.211 -1.197 1
1 480 . 3 1 1 A 42 42 VAL CA C 42 67.030 65.467 1.563 1
1 481 . 3 1 1 A 42 42 VAL CB C 42 30.616 31.627 -1.011 1
1 483 . 3 1 1 A 42 42 VAL N N 42 123.036 120.958 2.078 1
1 484 . 3 1 1 A 43 43 TRP H H 43 7.726 8.444 -0.718 1
1 485 . 3 1 1 A 43 43 TRP HA H 43 4.640 4.263 0.377 1
1 494 . 3 1 1 A 43 43 TRP C C 43 179.135 179.043 0.092 1
1 495 . 3 1 1 A 43 43 TRP CA C 43 59.208 60.044 -0.836 1
1 496 . 3 1 1 A 43 43 TRP CB C 43 29.033 28.995 0.038 1
1 502 . 3 1 1 A 43 43 TRP N N 43 118.730 119.784 -1.054 1
1 504 . 3 1 1 A 44 44 THR H H 44 8.545 8.329 0.216 1
1 505 . 3 1 1 A 44 44 THR HA H 44 4.223 4.206 0.017 1
1 510 . 3 1 1 A 44 44 THR C C 44 177.189 176.762 0.427 1
1 511 . 3 1 1 A 44 44 THR CA C 44 66.351 65.536 0.815 1
1 512 . 3 1 1 A 44 44 THR CB C 44 68.921 68.546 0.375 1
1 514 . 3 1 1 A 44 44 THR N N 44 115.228 115.548 -0.320 1
1 515 . 3 1 1 A 45 45 LEU H H 45 7.961 8.010 -0.049 1
1 516 . 3 1 1 A 45 45 LEU HA H 45 4.299 3.829 0.470 1
1 523 . 3 1 1 A 45 45 LEU C C 45 178.301 179.106 -0.805 1
1 524 . 3 1 1 A 45 45 LEU CA C 45 57.759 58.294 -0.535 1
1 525 . 3 1 1 A 45 45 LEU CB C 45 42.462 41.833 0.629 1
1 527 . 3 1 1 A 45 45 LEU N N 45 123.256 121.468 1.788 1
1 528 . 3 1 1 A 46 46 LYS H H 46 8.645 8.035 0.610 1
1 529 . 3 1 1 A 46 46 LYS HA H 46 3.850 4.001 -0.151 1
1 536 . 3 1 1 A 46 46 LYS C C 46 177.716 178.380 -0.664 1
1 537 . 3 1 1 A 46 46 LYS CA C 46 60.731 59.141 1.590 1
1 538 . 3 1 1 A 46 46 LYS CB C 46 30.700 32.223 -1.523 1
1 540 . 3 1 1 A 46 46 LYS N N 46 119.178 117.933 1.245 1
1 541 . 3 1 1 A 47 47 ASP H H 47 7.711 8.108 -0.397 1
1 542 . 3 1 1 A 47 47 ASP HA H 47 4.539 4.482 0.057 1
1 545 . 3 1 1 A 47 47 ASP C C 47 178.755 179.482 -0.727 1
1 546 . 3 1 1 A 47 47 ASP CA C 47 57.095 56.894 0.201 1
1 547 . 3 1 1 A 47 47 ASP CB C 47 40.138 40.215 -0.077 1
1 548 . 3 1 1 A 47 47 ASP N N 47 117.538 120.195 -2.657 1
1 549 . 3 1 1 A 48 48 GLU H H 48 7.951 8.420 -0.469 1
1 550 . 3 1 1 A 48 48 GLU HA H 48 3.989 4.028 -0.039 1
1 555 . 3 1 1 A 48 48 GLU C C 48 179.165 179.331 -0.166 1
1 556 . 3 1 1 A 48 48 GLU CA C 48 59.143 58.992 0.151 1
1 557 . 3 1 1 A 48 48 GLU CB C 48 29.783 29.226 0.557 1
1 559 . 3 1 1 A 48 48 GLU N N 48 121.677 121.264 0.413 1
1 560 . 3 1 1 A 49 49 ILE H H 49 8.602 7.455 1.147 1
1 561 . 3 1 1 A 49 49 ILE HA H 49 3.834 3.771 0.063 1
1 568 . 3 1 1 A 49 49 ILE C C 49 177.379 178.963 -1.584 1
1 569 . 3 1 1 A 49 49 ILE CA C 49 64.044 64.726 -0.682 1
1 570 . 3 1 1 A 49 49 ILE CB C 49 37.896 37.294 0.602 1
1 572 . 3 1 1 A 49 49 ILE N N 49 120.326 121.267 -0.941 1
1 573 . 3 1 1 A 50 50 LYS H H 50 7.785 7.779 0.006 1
1 574 . 3 1 1 A 50 50 LYS HA H 50 4.057 4.187 -0.130 1
1 583 . 3 1 1 A 50 50 LYS C C 50 177.848 177.811 0.037 1
1 584 . 3 1 1 A 50 50 LYS CA C 50 59.629 59.127 0.502 1
1 585 . 3 1 1 A 50 50 LYS CB C 50 32.026 32.174 -0.148 1
1 587 . 3 1 1 A 50 50 LYS N N 50 119.242 119.759 -0.517 1
1 588 . 3 1 1 A 51 51 THR H H 51 7.609 7.904 -0.295 1
1 589 . 3 1 1 A 51 51 THR HA H 51 4.344 4.466 -0.122 1
1 594 . 3 1 1 A 51 51 THR C C 51 175.360 174.717 0.643 1
1 595 . 3 1 1 A 51 51 THR CA C 51 63.224 63.962 -0.738 1
1 596 . 3 1 1 A 51 51 THR CB C 51 69.781 69.505 0.276 1
1 598 . 3 1 1 A 51 51 THR N N 51 109.871 110.747 -0.876 1
1 599 . 3 1 1 A 52 52 PHE H H 52 7.645 8.239 -0.594 1
1 600 . 3 1 1 A 52 52 PHE HA H 52 4.810 4.241 0.569 1
1 607 . 3 1 1 A 52 52 PHE C C 52 176.750 175.696 1.054 1
1 608 . 3 1 1 A 52 52 PHE CA C 52 56.960 58.955 -1.995 1
1 609 . 3 1 1 A 52 52 PHE CB C 52 37.622 37.206 0.416 1
1 614 . 3 1 1 A 52 52 PHE N N 52 120.960 120.190 0.770 1
1 615 . 3 1 1 A 53 53 THR H H 53 8.124 7.722 0.402 1
1 616 . 3 1 1 A 53 53 THR HA H 53 4.472 4.273 0.199 1
1 621 . 3 1 1 A 53 53 THR C C 53 174.394 174.704 -0.310 1
1 622 . 3 1 1 A 53 53 THR CA C 53 62.464 62.034 0.430 1
1 623 . 3 1 1 A 53 53 THR CB C 53 70.045 69.818 0.227 1
1 625 . 3 1 1 A 53 53 THR N N 53 113.896 113.207 0.689 1
1 626 . 3 1 1 A 54 54 VAL H H 54 8.114 8.903 -0.789 1
1 627 . 3 1 1 A 54 54 VAL HA H 54 4.346 4.177 0.169 1
1 632 . 3 1 1 A 54 54 VAL C C 54 176.209 175.086 1.123 1
1 633 . 3 1 1 A 54 54 VAL CA C 54 62.128 63.568 -1.440 1
1 634 . 3 1 1 A 54 54 VAL CB C 54 32.694 33.688 -0.994 1
1 636 . 3 1 1 A 54 54 VAL N N 54 122.467 121.885 0.582 1
1 637 . 3 1 1 A 55 55 THR H H 55 8.362 7.816 0.546 1
1 638 . 3 1 1 A 55 55 THR HA H 55 4.409 4.756 -0.347 1
1 643 . 3 1 1 A 55 55 THR C C 55 173.648 172.290 1.358 1
1 644 . 3 1 1 A 55 55 THR CA C 55 61.875 59.860 2.015 1
1 645 . 3 1 1 A 55 55 THR CB C 55 69.860 71.857 -1.997 1
1 647 . 3 1 1 A 55 55 THR N N 55 118.624 113.885 4.739 1
1 3 . 4 1 1 A 2 2 THR H H 2 8.109 8.077 0.032 1
1 4 . 4 1 1 A 2 2 THR HA H 2 4.400 4.172 0.228 1
1 9 . 4 1 1 A 2 2 THR C C 2 173.933 173.446 0.487 1
1 10 . 4 1 1 A 2 2 THR CA C 2 61.842 61.287 0.555 1
1 11 . 4 1 1 A 2 2 THR CB C 2 69.793 68.490 1.303 1
1 13 . 4 1 1 A 2 2 THR N N 2 128.532 113.761 14.771 1
1 14 . 4 1 1 A 3 3 TYR H H 3 8.424 7.795 0.629 1
1 15 . 4 1 1 A 3 3 TYR HA H 3 4.434 4.797 -0.363 1
1 22 . 4 1 1 A 3 3 TYR C C 3 175.696 175.799 -0.103 1
1 23 . 4 1 1 A 3 3 TYR CA C 3 58.210 57.823 0.387 1
1 24 . 4 1 1 A 3 3 TYR CB C 3 38.473 40.320 -1.847 1
1 27 . 4 1 1 A 3 3 TYR N N 3 123.975 122.388 1.587 1
1 28 . 4 1 1 A 4 4 LYS H H 4 8.160 7.667 0.493 1
1 29 . 4 1 1 A 4 4 LYS HA H 4 4.217 4.901 -0.684 1
1 36 . 4 1 1 A 4 4 LYS C C 4 175.989 174.683 1.306 1
1 37 . 4 1 1 A 4 4 LYS CA C 4 56.657 54.569 2.088 1
1 38 . 4 1 1 A 4 4 LYS CB C 4 32.834 37.134 -4.300 1
1 42 . 4 1 1 A 4 4 LYS N N 4 122.591 118.615 3.976 1
1 43 . 4 1 1 A 5 5 LEU H H 5 8.050 8.682 -0.632 1
1 44 . 4 1 1 A 5 5 LEU HA H 5 4.325 4.724 -0.399 1
1 50 . 4 1 1 A 5 5 LEU C C 5 177.233 174.316 2.917 1
1 51 . 4 1 1 A 5 5 LEU CA C 5 55.392 54.669 0.723 1
1 52 . 4 1 1 A 5 5 LEU CB C 5 41.995 45.395 -3.400 1
1 56 . 4 1 1 A 5 5 LEU N N 5 122.335 120.882 1.453 1
1 57 . 4 1 1 A 6 6 ILE H H 6 8.136 9.032 -0.896 1
1 58 . 4 1 1 A 6 6 ILE HA H 6 4.230 4.674 -0.444 1
1 68 . 4 1 1 A 6 6 ILE C C 6 176.253 175.189 1.064 1
1 69 . 4 1 1 A 6 6 ILE CA C 6 61.256 60.895 0.361 1
1 70 . 4 1 1 A 6 6 ILE CB C 6 38.070 39.829 -1.759 1
1 74 . 4 1 1 A 6 6 ILE N N 6 122.472 127.316 -4.844 1
1 75 . 4 1 1 A 7 7 LEU H H 7 8.234 8.983 -0.749 1
1 76 . 4 1 1 A 7 7 LEU HA H 7 4.521 4.563 -0.042 1
1 82 . 4 1 1 A 7 7 LEU C C 7 177.087 175.790 1.297 1
1 83 . 4 1 1 A 7 7 LEU CA C 7 55.268 55.861 -0.593 1
1 84 . 4 1 1 A 7 7 LEU CB C 7 42.738 44.862 -2.124 1
1 87 . 4 1 1 A 7 7 LEU N N 7 125.667 129.967 -4.300 1
1 88 . 4 1 1 A 8 8 ASN H H 8 8.195 8.015 0.180 1
1 89 . 4 1 1 A 8 8 ASN HA H 8 4.801 5.078 -0.277 1
1 94 . 4 1 1 A 8 8 ASN C C 8 175.345 174.584 0.761 1
1 95 . 4 1 1 A 8 8 ASN CA C 8 52.541 53.168 -0.627 1
1 96 . 4 1 1 A 8 8 ASN CB C 8 38.782 40.588 -1.806 1
1 97 . 4 1 1 A 8 8 ASN N N 8 118.150 116.636 1.514 1
1 99 . 4 1 1 A 9 9 LEU H H 9 8.434 8.923 -0.489 1
1 100 . 4 1 1 A 9 9 LEU HA H 9 3.974 4.166 -0.192 1
1 109 . 4 1 1 A 9 9 LEU C C 9 177.160 178.477 -1.317 1
1 110 . 4 1 1 A 9 9 LEU CA C 9 58.418 57.024 1.394 1
1 111 . 4 1 1 A 9 9 LEU CB C 9 42.073 41.788 0.285 1
1 114 . 4 1 1 A 9 9 LEU N N 9 121.944 127.321 -5.377 1
1 115 . 4 1 1 A 10 10 LYS H H 10 8.115 8.173 -0.058 1
1 116 . 4 1 1 A 10 10 LYS HA H 10 3.964 3.888 0.076 1
1 121 . 4 1 1 A 10 10 LYS C C 10 178.535 178.993 -0.458 1
1 122 . 4 1 1 A 10 10 LYS CA C 10 60.121 60.228 -0.107 1
1 123 . 4 1 1 A 10 10 LYS CB C 10 32.108 32.044 0.064 1
1 126 . 4 1 1 A 10 10 LYS N N 10 118.923 118.886 0.037 1
1 127 . 4 1 1 A 11 11 GLN H H 11 7.647 8.175 -0.528 1
1 128 . 4 1 1 A 11 11 GLN HA H 11 4.198 4.075 0.123 1
1 135 . 4 1 1 A 11 11 GLN C C 11 179.267 177.953 1.314 1
1 136 . 4 1 1 A 11 11 GLN CA C 11 59.331 59.186 0.145 1
1 137 . 4 1 1 A 11 11 GLN CB C 11 29.621 29.275 0.346 1
1 139 . 4 1 1 A 11 11 GLN N N 11 117.482 119.260 -1.778 1
1 141 . 4 1 1 A 12 12 ALA H H 12 8.431 8.192 0.239 1
1 142 . 4 1 1 A 12 12 ALA HA H 12 4.200 2.834 1.366 1
1 146 . 4 1 1 A 12 12 ALA C C 12 179.809 178.888 0.921 1
1 147 . 4 1 1 A 12 12 ALA CA C 12 55.484 54.854 0.630 1
1 148 . 4 1 1 A 12 12 ALA CB C 12 18.673 18.123 0.550 1
1 149 . 4 1 1 A 12 12 ALA N N 12 122.387 121.232 1.155 1
1 150 . 4 1 1 A 13 13 LYS H H 13 8.361 8.648 -0.287 1
1 151 . 4 1 1 A 13 13 LYS HA H 13 3.671 3.785 -0.114 1
1 158 . 4 1 1 A 13 13 LYS C C 13 177.701 179.956 -2.255 1
1 159 . 4 1 1 A 13 13 LYS CA C 13 60.773 59.691 1.082 1
1 160 . 4 1 1 A 13 13 LYS CB C 13 33.191 32.336 0.855 1
1 163 . 4 1 1 A 13 13 LYS N N 13 116.790 117.027 -0.237 1
1 164 . 4 1 1 A 14 14 GLU H H 14 7.953 8.918 -0.965 1
1 165 . 4 1 1 A 14 14 GLU HA H 14 3.979 3.949 0.030 1
1 170 . 4 1 1 A 14 14 GLU C C 14 178.067 178.944 -0.877 1
1 171 . 4 1 1 A 14 14 GLU CA C 14 59.824 59.447 0.377 1
1 172 . 4 1 1 A 14 14 GLU CB C 14 29.389 29.063 0.326 1
1 174 . 4 1 1 A 14 14 GLU N N 14 116.988 119.673 -2.685 1
1 175 . 4 1 1 A 15 15 GLU H H 15 8.442 7.565 0.877 1
1 176 . 4 1 1 A 15 15 GLU HA H 15 4.053 3.993 0.060 1
1 179 . 4 1 1 A 15 15 GLU C C 15 178.374 178.067 0.307 1
1 180 . 4 1 1 A 15 15 GLU CA C 15 58.307 58.958 -0.651 1
1 181 . 4 1 1 A 15 15 GLU CB C 15 29.030 29.076 -0.046 1
1 183 . 4 1 1 A 15 15 GLU N N 15 115.659 119.898 -4.239 1
1 184 . 4 1 1 A 16 16 ALA H H 16 8.555 8.112 0.443 1
1 185 . 4 1 1 A 16 16 ALA HA H 16 4.199 3.967 0.232 1
1 189 . 4 1 1 A 16 16 ALA C C 16 179.399 179.933 -0.534 1
1 190 . 4 1 1 A 16 16 ALA CA C 16 55.233 55.051 0.182 1
1 191 . 4 1 1 A 16 16 ALA CB C 16 17.853 18.334 -0.481 1
1 192 . 4 1 1 A 16 16 ALA N N 16 122.104 121.926 0.178 1
1 193 . 4 1 1 A 17 17 ILE H H 17 8.719 7.689 1.030 1
1 194 . 4 1 1 A 17 17 ILE HA H 17 3.593 3.877 -0.284 1
1 201 . 4 1 1 A 17 17 ILE C C 17 177.131 177.705 -0.574 1
1 202 . 4 1 1 A 17 17 ILE CA C 17 66.796 64.259 2.537 1
1 203 . 4 1 1 A 17 17 ILE CB C 17 37.700 37.728 -0.028 1
1 205 . 4 1 1 A 17 17 ILE N N 17 117.581 118.588 -1.007 1
1 206 . 4 1 1 A 18 18 LYS H H 18 7.795 7.820 -0.025 1
1 207 . 4 1 1 A 18 18 LYS HA H 18 4.025 3.893 0.132 1
1 214 . 4 1 1 A 18 18 LYS C C 18 179.340 178.912 0.428 1
1 215 . 4 1 1 A 18 18 LYS CA C 18 59.829 59.781 0.048 1
1 216 . 4 1 1 A 18 18 LYS CB C 18 32.079 32.224 -0.145 1
1 220 . 4 1 1 A 18 18 LYS N N 18 119.291 121.650 -2.359 1
1 221 . 4 1 1 A 19 19 GLU H H 19 8.331 8.575 -0.244 1
1 222 . 4 1 1 A 19 19 GLU HA H 19 4.197 4.025 0.172 1
1 227 . 4 1 1 A 19 19 GLU C C 19 179.926 179.568 0.358 1
1 228 . 4 1 1 A 19 19 GLU CA C 19 58.483 59.029 -0.546 1
1 229 . 4 1 1 A 19 19 GLU CB C 19 28.508 29.338 -0.830 1
1 231 . 4 1 1 A 19 19 GLU N N 19 118.386 118.800 -0.414 1
1 232 . 4 1 1 A 20 20 LEU H H 20 8.270 7.862 0.408 1
1 233 . 4 1 1 A 20 20 LEU HA H 20 4.198 4.068 0.130 1
1 240 . 4 1 1 A 20 20 LEU C C 20 180.511 178.991 1.520 1
1 241 . 4 1 1 A 20 20 LEU CA C 20 57.429 58.019 -0.590 1
1 242 . 4 1 1 A 20 20 LEU CB C 20 40.978 41.740 -0.762 1
1 243 . 4 1 1 A 20 20 LEU N N 20 119.581 121.238 -1.657 1
1 244 . 4 1 1 A 21 21 VAL H H 21 9.479 8.705 0.774 1
1 245 . 4 1 1 A 21 21 VAL HA H 21 3.991 3.522 0.469 1
1 250 . 4 1 1 A 21 21 VAL C C 21 180.906 177.983 2.923 1
1 251 . 4 1 1 A 21 21 VAL CA C 21 66.562 67.025 -0.463 1
1 252 . 4 1 1 A 21 21 VAL CB C 21 31.435 31.350 0.085 1
1 254 . 4 1 1 A 21 21 VAL N N 21 125.030 119.307 5.723 1
1 255 . 4 1 1 A 22 22 ASP H H 22 8.401 8.625 -0.224 1
1 256 . 4 1 1 A 22 22 ASP HA H 22 4.541 4.354 0.187 1
1 259 . 4 1 1 A 22 22 ASP C C 22 177.204 177.304 -0.100 1
1 260 . 4 1 1 A 22 22 ASP CA C 22 57.019 56.572 0.447 1
1 261 . 4 1 1 A 22 22 ASP CB C 22 39.983 40.804 -0.821 1
1 262 . 4 1 1 A 22 22 ASP N N 22 122.749 121.136 1.613 1
1 263 . 4 1 1 A 23 23 ALA H H 23 7.485 7.838 -0.353 1
1 264 . 4 1 1 A 23 23 ALA HA H 23 4.522 4.601 -0.079 1
1 268 . 4 1 1 A 23 23 ALA C C 23 177.965 177.158 0.807 1
1 269 . 4 1 1 A 23 23 ALA CA C 23 52.130 53.180 -1.050 1
1 270 . 4 1 1 A 23 23 ALA CB C 23 18.673 21.051 -2.378 1
1 271 . 4 1 1 A 23 23 ALA N N 23 119.207 119.254 -0.047 1
1 272 . 4 1 1 A 24 24 GLY H H 24 8.150 7.661 0.489 1
1 273 . 4 1 1 A 24 24 GLY HA2 H 24 4.183 4.020 0.163 1
1 274 . 4 1 1 A 24 24 GLY HA3 H 24 4.026 4.021 0.005 1
1 275 . 4 1 1 A 24 24 GLY C C 24 174.731 174.006 0.725 1
1 276 . 4 1 1 A 24 24 GLY CA C 24 45.916 45.556 0.360 1
1 277 . 4 1 1 A 24 24 GLY N N 24 108.009 104.845 3.164 1
1 278 . 4 1 1 A 25 25 THR H H 25 7.786 8.450 -0.664 1
1 279 . 4 1 1 A 25 25 THR HA H 25 4.151 4.251 -0.100 1
1 284 . 4 1 1 A 25 25 THR C C 25 173.194 173.559 -0.365 1
1 285 . 4 1 1 A 25 25 THR CA C 25 63.840 63.322 0.518 1
1 286 . 4 1 1 A 25 25 THR CB C 25 69.255 68.624 0.631 1
1 288 . 4 1 1 A 25 25 THR N N 25 117.202 116.510 0.692 1
1 289 . 4 1 1 A 26 26 ALA H H 26 8.978 8.283 0.695 1
1 290 . 4 1 1 A 26 26 ALA HA H 26 4.391 4.316 0.075 1
1 294 . 4 1 1 A 26 26 ALA C C 26 178.935 177.941 0.994 1
1 295 . 4 1 1 A 26 26 ALA CA C 26 53.038 51.584 1.454 1
1 296 . 4 1 1 A 26 26 ALA CB C 26 18.566 18.605 -0.039 1
1 297 . 4 1 1 A 26 26 ALA N N 26 128.127 127.333 0.794 1
1 298 . 4 1 1 A 27 27 GLU H H 27 8.803 8.803 0.000 1
1 299 . 4 1 1 A 27 27 GLU HA H 27 3.966 4.095 -0.129 1
1 304 . 4 1 1 A 27 27 GLU C C 27 179.999 178.489 1.510 1
1 305 . 4 1 1 A 27 27 GLU CA C 27 59.465 59.289 0.176 1
1 306 . 4 1 1 A 27 27 GLU CB C 27 29.211 29.257 -0.046 1
1 308 . 4 1 1 A 27 27 GLU N N 27 123.075 125.000 -1.925 1
1 309 . 4 1 1 A 28 28 LYS H H 28 8.455 8.180 0.275 1
1 310 . 4 1 1 A 28 28 LYS HA H 28 4.048 4.056 -0.008 1
1 315 . 4 1 1 A 28 28 LYS C C 28 177.394 178.768 -1.374 1
1 316 . 4 1 1 A 28 28 LYS CA C 28 58.951 58.914 0.037 1
1 317 . 4 1 1 A 28 28 LYS CB C 28 29.504 32.318 -2.814 1
1 320 . 4 1 1 A 28 28 LYS N N 28 119.368 120.066 -0.698 1
1 321 . 4 1 1 A 29 29 TYR H H 29 7.349 8.291 -0.942 1
1 322 . 4 1 1 A 29 29 TYR HA H 29 4.768 4.197 0.571 1
1 329 . 4 1 1 A 29 29 TYR C C 29 177.496 177.905 -0.409 1
1 330 . 4 1 1 A 29 29 TYR CA C 29 58.599 61.126 -2.527 1
1 331 . 4 1 1 A 29 29 TYR CB C 29 38.229 38.901 -0.672 1
1 336 . 4 1 1 A 29 29 TYR N N 29 117.039 120.375 -3.336 1
1 337 . 4 1 1 A 30 30 ILE H H 30 7.535 8.330 -0.795 1
1 338 . 4 1 1 A 30 30 ILE HA H 30 3.638 3.803 -0.165 1
1 348 . 4 1 1 A 30 30 ILE C C 30 178.462 177.732 0.730 1
1 349 . 4 1 1 A 30 30 ILE CA C 30 65.156 63.438 1.718 1
1 350 . 4 1 1 A 30 30 ILE CB C 30 36.867 37.463 -0.596 1
1 353 . 4 1 1 A 30 30 ILE N N 30 120.828 119.937 0.891 1
1 354 . 4 1 1 A 31 31 LYS H H 31 7.862 7.870 -0.008 1
1 355 . 4 1 1 A 31 31 LYS HA H 31 4.053 4.107 -0.054 1
1 360 . 4 1 1 A 31 31 LYS C C 31 178.243 178.868 -0.625 1
1 361 . 4 1 1 A 31 31 LYS CA C 31 58.796 58.851 -0.055 1
1 362 . 4 1 1 A 31 31 LYS CB C 31 31.723 31.869 -0.146 1
1 365 . 4 1 1 A 31 31 LYS N N 31 116.578 121.462 -4.884 1
1 366 . 4 1 1 A 32 32 LEU H H 32 7.353 8.002 -0.649 1
1 367 . 4 1 1 A 32 32 LEU HA H 32 4.128 4.094 0.034 1
1 373 . 4 1 1 A 32 32 LEU C C 32 180.028 179.140 0.888 1
1 374 . 4 1 1 A 32 32 LEU CA C 32 57.809 57.896 -0.087 1
1 375 . 4 1 1 A 32 32 LEU CB C 32 41.196 41.619 -0.423 1
1 378 . 4 1 1 A 32 32 LEU N N 32 117.030 120.218 -3.188 1
1 379 . 4 1 1 A 33 33 ILE H H 33 7.494 7.653 -0.159 1
1 380 . 4 1 1 A 33 33 ILE HA H 33 3.760 4.019 -0.259 1
1 387 . 4 1 1 A 33 33 ILE C C 33 178.477 177.887 0.590 1
1 388 . 4 1 1 A 33 33 ILE CA C 33 62.407 63.620 -1.213 1
1 389 . 4 1 1 A 33 33 ILE CB C 33 35.407 37.358 -1.951 1
1 391 . 4 1 1 A 33 33 ILE N N 33 118.141 115.304 2.837 1
1 392 . 4 1 1 A 34 34 ALA H H 34 7.777 7.489 0.288 1
1 393 . 4 1 1 A 34 34 ALA HA H 34 4.031 4.034 -0.003 1
1 397 . 4 1 1 A 34 34 ALA C C 34 178.857 178.517 0.340 1
1 398 . 4 1 1 A 34 34 ALA CA C 34 54.662 54.592 0.070 1
1 399 . 4 1 1 A 34 34 ALA CB C 34 18.492 18.659 -0.167 1
1 400 . 4 1 1 A 34 34 ALA N N 34 119.230 124.057 -4.827 1
1 401 . 4 1 1 A 35 35 ASN H H 35 7.418 7.824 -0.406 1
1 402 . 4 1 1 A 35 35 ASN HA H 35 4.863 4.777 0.086 1
1 407 . 4 1 1 A 35 35 ASN C C 35 175.345 175.390 -0.045 1
1 408 . 4 1 1 A 35 35 ASN CA C 35 52.686 53.236 -0.550 1
1 409 . 4 1 1 A 35 35 ASN CB C 35 39.075 39.523 -0.448 1
1 410 . 4 1 1 A 35 35 ASN N N 35 113.022 114.262 -1.240 1
1 412 . 4 1 1 A 36 36 ALA H H 36 7.529 8.028 -0.499 1
1 413 . 4 1 1 A 36 36 ALA HA H 36 4.329 4.091 0.238 1
1 417 . 4 1 1 A 36 36 ALA C C 36 177.862 177.087 0.775 1
1 418 . 4 1 1 A 36 36 ALA CA C 36 53.389 53.292 0.097 1
1 419 . 4 1 1 A 36 36 ALA CB C 36 19.141 19.209 -0.068 1
1 420 . 4 1 1 A 36 36 ALA N N 36 124.061 122.958 1.103 1
1 421 . 4 1 1 A 37 37 LYS H H 37 8.891 8.955 -0.064 1
1 422 . 4 1 1 A 37 37 LYS HA H 37 4.450 4.425 0.025 1
1 427 . 4 1 1 A 37 37 LYS C C 37 176.758 176.289 0.469 1
1 428 . 4 1 1 A 37 37 LYS CA C 37 56.476 57.415 -0.939 1
1 429 . 4 1 1 A 37 37 LYS CB C 37 34.789 33.935 0.854 1
1 433 . 4 1 1 A 37 37 LYS N N 37 117.071 124.309 -7.238 1
1 434 . 4 1 1 A 38 38 THR H H 38 7.406 7.846 -0.440 1
1 435 . 4 1 1 A 38 38 THR HA H 38 4.704 4.663 0.041 1
1 440 . 4 1 1 A 38 38 THR C C 38 173.984 175.468 -1.484 1
1 441 . 4 1 1 A 38 38 THR CA C 38 58.248 59.967 -1.719 1
1 442 . 4 1 1 A 38 38 THR CB C 38 72.884 70.807 2.077 1
1 444 . 4 1 1 A 38 38 THR N N 38 106.340 108.919 -2.579 1
1 445 . 4 1 1 A 39 39 VAL H H 39 8.967 8.754 0.213 1
1 446 . 4 1 1 A 39 39 VAL HA H 39 3.208 3.833 -0.625 1
1 451 . 4 1 1 A 39 39 VAL C C 39 176.735 177.570 -0.835 1
1 452 . 4 1 1 A 39 39 VAL CA C 39 67.315 67.098 0.217 1
1 453 . 4 1 1 A 39 39 VAL CB C 39 30.909 32.010 -1.101 1
1 455 . 4 1 1 A 39 39 VAL N N 39 122.904 122.682 0.222 1
1 456 . 4 1 1 A 40 40 GLU H H 40 8.900 8.470 0.430 1
1 457 . 4 1 1 A 40 40 GLU HA H 40 4.076 4.087 -0.011 1
1 462 . 4 1 1 A 40 40 GLU C C 40 179.355 179.321 0.034 1
1 463 . 4 1 1 A 40 40 GLU CA C 40 60.061 59.477 0.584 1
1 464 . 4 1 1 A 40 40 GLU CB C 40 28.401 29.201 -0.800 1
1 466 . 4 1 1 A 40 40 GLU N N 40 118.190 119.572 -1.382 1
1 467 . 4 1 1 A 41 41 GLY H H 41 8.199 8.390 -0.191 1
1 468 . 4 1 1 A 41 41 GLY HA2 H 41 4.039 3.742 0.297 1
1 469 . 4 1 1 A 41 41 GLY HA3 H 41 3.919 3.745 0.174 1
1 470 . 4 1 1 A 41 41 GLY C C 41 176.267 176.735 -0.468 1
1 471 . 4 1 1 A 41 41 GLY CA C 41 46.167 47.330 -1.163 1
1 472 . 4 1 1 A 41 41 GLY N N 41 108.663 108.387 0.276 1
1 473 . 4 1 1 A 42 42 VAL H H 42 7.662 7.709 -0.047 1
1 474 . 4 1 1 A 42 42 VAL HA H 42 3.182 3.792 -0.610 1
1 479 . 4 1 1 A 42 42 VAL C C 42 177.014 178.304 -1.290 1
1 480 . 4 1 1 A 42 42 VAL CA C 42 67.030 65.769 1.261 1
1 481 . 4 1 1 A 42 42 VAL CB C 42 30.616 31.589 -0.973 1
1 483 . 4 1 1 A 42 42 VAL N N 42 123.036 121.254 1.782 1
1 484 . 4 1 1 A 43 43 TRP H H 43 7.726 8.337 -0.611 1
1 485 . 4 1 1 A 43 43 TRP HA H 43 4.640 4.331 0.309 1
1 494 . 4 1 1 A 43 43 TRP C C 43 179.135 179.006 0.129 1
1 495 . 4 1 1 A 43 43 TRP CA C 43 59.208 60.202 -0.994 1
1 496 . 4 1 1 A 43 43 TRP CB C 43 29.033 29.133 -0.100 1
1 502 . 4 1 1 A 43 43 TRP N N 43 118.730 120.371 -1.641 1
1 504 . 4 1 1 A 44 44 THR H H 44 8.545 8.494 0.051 1
1 505 . 4 1 1 A 44 44 THR HA H 44 4.223 4.152 0.071 1
1 510 . 4 1 1 A 44 44 THR C C 44 177.189 177.141 0.048 1
1 511 . 4 1 1 A 44 44 THR CA C 44 66.351 65.742 0.609 1
1 512 . 4 1 1 A 44 44 THR CB C 44 68.921 68.502 0.419 1
1 514 . 4 1 1 A 44 44 THR N N 44 115.228 114.125 1.103 1
1 515 . 4 1 1 A 45 45 LEU H H 45 7.961 8.178 -0.217 1
1 516 . 4 1 1 A 45 45 LEU HA H 45 4.299 3.848 0.451 1
1 523 . 4 1 1 A 45 45 LEU C C 45 178.301 179.236 -0.935 1
1 524 . 4 1 1 A 45 45 LEU CA C 45 57.759 58.320 -0.561 1
1 525 . 4 1 1 A 45 45 LEU CB C 45 42.462 41.845 0.617 1
1 527 . 4 1 1 A 45 45 LEU N N 45 123.256 123.184 0.072 1
1 528 . 4 1 1 A 46 46 LYS H H 46 8.645 7.997 0.648 1
1 529 . 4 1 1 A 46 46 LYS HA H 46 3.850 3.961 -0.111 1
1 536 . 4 1 1 A 46 46 LYS C C 46 177.716 178.547 -0.831 1
1 537 . 4 1 1 A 46 46 LYS CA C 46 60.731 59.013 1.718 1
1 538 . 4 1 1 A 46 46 LYS CB C 46 30.700 32.186 -1.486 1
1 540 . 4 1 1 A 46 46 LYS N N 46 119.178 117.951 1.227 1
1 541 . 4 1 1 A 47 47 ASP H H 47 7.711 8.355 -0.644 1
1 542 . 4 1 1 A 47 47 ASP HA H 47 4.539 4.423 0.116 1
1 545 . 4 1 1 A 47 47 ASP C C 47 178.755 178.910 -0.155 1
1 546 . 4 1 1 A 47 47 ASP CA C 47 57.095 56.767 0.328 1
1 547 . 4 1 1 A 47 47 ASP CB C 47 40.138 40.262 -0.124 1
1 548 . 4 1 1 A 47 47 ASP N N 47 117.538 119.927 -2.389 1
1 549 . 4 1 1 A 48 48 GLU H H 48 7.951 8.383 -0.432 1
1 550 . 4 1 1 A 48 48 GLU HA H 48 3.989 4.492 -0.503 1
1 555 . 4 1 1 A 48 48 GLU C C 48 179.165 179.069 0.096 1
1 556 . 4 1 1 A 48 48 GLU CA C 48 59.143 58.662 0.481 1
1 557 . 4 1 1 A 48 48 GLU CB C 48 29.783 29.473 0.310 1
1 559 . 4 1 1 A 48 48 GLU N N 48 121.677 119.427 2.250 1
1 560 . 4 1 1 A 49 49 ILE H H 49 8.602 7.562 1.040 1
1 561 . 4 1 1 A 49 49 ILE HA H 49 3.834 3.866 -0.032 1
1 568 . 4 1 1 A 49 49 ILE C C 49 177.379 178.648 -1.269 1
1 569 . 4 1 1 A 49 49 ILE CA C 49 64.044 65.067 -1.023 1
1 570 . 4 1 1 A 49 49 ILE CB C 49 37.896 37.027 0.869 1
1 572 . 4 1 1 A 49 49 ILE N N 49 120.326 120.405 -0.079 1
1 573 . 4 1 1 A 50 50 LYS H H 50 7.785 7.629 0.156 1
1 574 . 4 1 1 A 50 50 LYS HA H 50 4.057 4.127 -0.070 1
1 583 . 4 1 1 A 50 50 LYS C C 50 177.848 178.972 -1.124 1
1 584 . 4 1 1 A 50 50 LYS CA C 50 59.629 59.111 0.518 1
1 585 . 4 1 1 A 50 50 LYS CB C 50 32.026 31.880 0.146 1
1 587 . 4 1 1 A 50 50 LYS N N 50 119.242 119.789 -0.547 1
1 588 . 4 1 1 A 51 51 THR H H 51 7.609 7.524 0.085 1
1 589 . 4 1 1 A 51 51 THR HA H 51 4.344 4.374 -0.030 1
1 594 . 4 1 1 A 51 51 THR C C 51 175.360 174.823 0.537 1
1 595 . 4 1 1 A 51 51 THR CA C 51 63.224 63.235 -0.011 1
1 596 . 4 1 1 A 51 51 THR CB C 51 69.781 69.356 0.425 1
1 598 . 4 1 1 A 51 51 THR N N 51 109.871 108.553 1.318 1
1 599 . 4 1 1 A 52 52 PHE H H 52 7.645 7.617 0.028 1
1 600 . 4 1 1 A 52 52 PHE HA H 52 4.810 4.746 0.064 1
1 607 . 4 1 1 A 52 52 PHE C C 52 176.750 173.445 3.305 1
1 608 . 4 1 1 A 52 52 PHE CA C 52 56.960 58.047 -1.087 1
1 609 . 4 1 1 A 52 52 PHE CB C 52 37.622 40.781 -3.159 1
1 614 . 4 1 1 A 52 52 PHE N N 52 120.960 120.686 0.274 1
1 615 . 4 1 1 A 53 53 THR H H 53 8.124 7.730 0.394 1
1 616 . 4 1 1 A 53 53 THR HA H 53 4.472 4.807 -0.335 1
1 621 . 4 1 1 A 53 53 THR C C 53 174.394 174.419 -0.025 1
1 622 . 4 1 1 A 53 53 THR CA C 53 62.464 59.495 2.969 1
1 623 . 4 1 1 A 53 53 THR CB C 53 70.045 68.723 1.322 1
1 625 . 4 1 1 A 53 53 THR N N 53 113.896 112.911 0.985 1
1 626 . 4 1 1 A 54 54 VAL H H 54 8.114 8.136 -0.022 1
1 627 . 4 1 1 A 54 54 VAL HA H 54 4.346 4.271 0.075 1
1 632 . 4 1 1 A 54 54 VAL C C 54 176.209 176.080 0.129 1
1 633 . 4 1 1 A 54 54 VAL CA C 54 62.128 62.179 -0.051 1
1 634 . 4 1 1 A 54 54 VAL CB C 54 32.694 32.346 0.348 1
1 636 . 4 1 1 A 54 54 VAL N N 54 122.467 120.945 1.522 1
1 637 . 4 1 1 A 55 55 THR H H 55 8.362 8.426 -0.064 1
1 638 . 4 1 1 A 55 55 THR HA H 55 4.409 5.001 -0.592 1
1 643 . 4 1 1 A 55 55 THR C C 55 173.648 172.874 0.774 1
1 644 . 4 1 1 A 55 55 THR CA C 55 61.875 60.470 1.405 1
1 645 . 4 1 1 A 55 55 THR CB C 55 69.860 71.341 -1.481 1
1 647 . 4 1 1 A 55 55 THR N N 55 118.624 117.546 1.078 1
1 3 . 5 1 1 A 2 2 THR H H 2 8.109 8.701 -0.592 1
1 4 . 5 1 1 A 2 2 THR HA H 2 4.400 4.252 0.148 1
1 9 . 5 1 1 A 2 2 THR C C 2 173.933 173.522 0.411 1
1 10 . 5 1 1 A 2 2 THR CA C 2 61.842 64.390 -2.548 1
1 11 . 5 1 1 A 2 2 THR CB C 2 69.793 68.325 1.468 1
1 13 . 5 1 1 A 2 2 THR N N 2 128.532 117.115 11.417 1
1 14 . 5 1 1 A 3 3 TYR H H 3 8.424 8.227 0.197 1
1 15 . 5 1 1 A 3 3 TYR HA H 3 4.434 4.730 -0.296 1
1 22 . 5 1 1 A 3 3 TYR C C 3 175.696 175.456 0.240 1
1 23 . 5 1 1 A 3 3 TYR CA C 3 58.210 58.959 -0.749 1
1 24 . 5 1 1 A 3 3 TYR CB C 3 38.473 40.877 -2.404 1
1 27 . 5 1 1 A 3 3 TYR N N 3 123.975 121.727 2.248 1
1 28 . 5 1 1 A 4 4 LYS H H 4 8.160 8.208 -0.048 1
1 29 . 5 1 1 A 4 4 LYS HA H 4 4.217 4.989 -0.772 1
1 36 . 5 1 1 A 4 4 LYS C C 4 175.989 174.944 1.045 1
1 37 . 5 1 1 A 4 4 LYS CA C 4 56.657 54.200 2.457 1
1 38 . 5 1 1 A 4 4 LYS CB C 4 32.834 36.562 -3.728 1
1 42 . 5 1 1 A 4 4 LYS N N 4 122.591 114.941 7.650 1
1 43 . 5 1 1 A 5 5 LEU H H 5 8.050 8.644 -0.594 1
1 44 . 5 1 1 A 5 5 LEU HA H 5 4.325 4.747 -0.422 1
1 50 . 5 1 1 A 5 5 LEU C C 5 177.233 174.710 2.523 1
1 51 . 5 1 1 A 5 5 LEU CA C 5 55.392 55.067 0.325 1
1 52 . 5 1 1 A 5 5 LEU CB C 5 41.995 43.725 -1.730 1
1 56 . 5 1 1 A 5 5 LEU N N 5 122.335 120.617 1.718 1
1 57 . 5 1 1 A 6 6 ILE H H 6 8.136 8.864 -0.728 1
1 58 . 5 1 1 A 6 6 ILE HA H 6 4.230 4.358 -0.128 1
1 68 . 5 1 1 A 6 6 ILE C C 6 176.253 175.385 0.868 1
1 69 . 5 1 1 A 6 6 ILE CA C 6 61.256 60.819 0.437 1
1 70 . 5 1 1 A 6 6 ILE CB C 6 38.070 37.461 0.609 1
1 74 . 5 1 1 A 6 6 ILE N N 6 122.472 127.991 -5.519 1
1 75 . 5 1 1 A 7 7 LEU H H 7 8.234 8.957 -0.723 1
1 76 . 5 1 1 A 7 7 LEU HA H 7 4.521 4.330 0.191 1
1 82 . 5 1 1 A 7 7 LEU C C 7 177.087 177.367 -0.280 1
1 83 . 5 1 1 A 7 7 LEU CA C 7 55.268 56.653 -1.385 1
1 84 . 5 1 1 A 7 7 LEU CB C 7 42.738 42.341 0.397 1
1 87 . 5 1 1 A 7 7 LEU N N 7 125.667 129.318 -3.651 1
1 88 . 5 1 1 A 8 8 ASN H H 8 8.195 7.938 0.257 1
1 89 . 5 1 1 A 8 8 ASN HA H 8 4.801 4.966 -0.165 1
1 94 . 5 1 1 A 8 8 ASN C C 8 175.345 175.794 -0.449 1
1 95 . 5 1 1 A 8 8 ASN CA C 8 52.541 52.460 0.081 1
1 96 . 5 1 1 A 8 8 ASN CB C 8 38.782 39.816 -1.034 1
1 97 . 5 1 1 A 8 8 ASN N N 8 118.150 115.209 2.941 1
1 99 . 5 1 1 A 9 9 LEU H H 9 8.434 7.883 0.551 1
1 100 . 5 1 1 A 9 9 LEU HA H 9 3.974 4.096 -0.122 1
1 109 . 5 1 1 A 9 9 LEU C C 9 177.160 178.903 -1.743 1
1 110 . 5 1 1 A 9 9 LEU CA C 9 58.418 56.745 1.673 1
1 111 . 5 1 1 A 9 9 LEU CB C 9 42.073 41.867 0.206 1
1 114 . 5 1 1 A 9 9 LEU N N 9 121.944 121.885 0.059 1
1 115 . 5 1 1 A 10 10 LYS H H 10 8.115 8.204 -0.089 1
1 116 . 5 1 1 A 10 10 LYS HA H 10 3.964 3.883 0.081 1
1 121 . 5 1 1 A 10 10 LYS C C 10 178.535 178.477 0.058 1
1 122 . 5 1 1 A 10 10 LYS CA C 10 60.121 60.244 -0.123 1
1 123 . 5 1 1 A 10 10 LYS CB C 10 32.108 32.034 0.074 1
1 126 . 5 1 1 A 10 10 LYS N N 10 118.923 118.102 0.821 1
1 127 . 5 1 1 A 11 11 GLN H H 11 7.647 8.089 -0.442 1
1 128 . 5 1 1 A 11 11 GLN HA H 11 4.198 4.103 0.095 1
1 135 . 5 1 1 A 11 11 GLN C C 11 179.267 177.856 1.411 1
1 136 . 5 1 1 A 11 11 GLN CA C 11 59.331 58.677 0.654 1
1 137 . 5 1 1 A 11 11 GLN CB C 11 29.621 28.665 0.956 1
1 139 . 5 1 1 A 11 11 GLN N N 11 117.482 119.220 -1.738 1
1 141 . 5 1 1 A 12 12 ALA H H 12 8.431 7.780 0.651 1
1 142 . 5 1 1 A 12 12 ALA HA H 12 4.200 2.574 1.626 1
1 146 . 5 1 1 A 12 12 ALA C C 12 179.809 178.996 0.813 1
1 147 . 5 1 1 A 12 12 ALA CA C 12 55.484 54.653 0.831 1
1 148 . 5 1 1 A 12 12 ALA CB C 12 18.673 17.409 1.264 1
1 149 . 5 1 1 A 12 12 ALA N N 12 122.387 121.610 0.777 1
1 150 . 5 1 1 A 13 13 LYS H H 13 8.361 8.767 -0.406 1
1 151 . 5 1 1 A 13 13 LYS HA H 13 3.671 3.839 -0.168 1
1 158 . 5 1 1 A 13 13 LYS C C 13 177.701 178.390 -0.689 1
1 159 . 5 1 1 A 13 13 LYS CA C 13 60.773 59.496 1.277 1
1 160 . 5 1 1 A 13 13 LYS CB C 13 33.191 32.499 0.692 1
1 163 . 5 1 1 A 13 13 LYS N N 13 116.790 117.120 -0.330 1
1 164 . 5 1 1 A 14 14 GLU H H 14 7.953 8.319 -0.366 1
1 165 . 5 1 1 A 14 14 GLU HA H 14 3.979 3.968 0.011 1
1 170 . 5 1 1 A 14 14 GLU C C 14 178.067 179.165 -1.098 1
1 171 . 5 1 1 A 14 14 GLU CA C 14 59.824 59.788 0.036 1
1 172 . 5 1 1 A 14 14 GLU CB C 14 29.389 29.097 0.292 1
1 174 . 5 1 1 A 14 14 GLU N N 14 116.988 119.531 -2.543 1
1 175 . 5 1 1 A 15 15 GLU H H 15 8.442 7.912 0.530 1
1 176 . 5 1 1 A 15 15 GLU HA H 15 4.053 4.170 -0.117 1
1 179 . 5 1 1 A 15 15 GLU C C 15 178.374 178.442 -0.068 1
1 180 . 5 1 1 A 15 15 GLU CA C 15 58.307 59.106 -0.799 1
1 181 . 5 1 1 A 15 15 GLU CB C 15 29.030 29.450 -0.420 1
1 183 . 5 1 1 A 15 15 GLU N N 15 115.659 119.216 -3.557 1
1 184 . 5 1 1 A 16 16 ALA H H 16 8.555 8.077 0.478 1
1 185 . 5 1 1 A 16 16 ALA HA H 16 4.199 4.064 0.135 1
1 189 . 5 1 1 A 16 16 ALA C C 16 179.399 179.937 -0.538 1
1 190 . 5 1 1 A 16 16 ALA CA C 16 55.233 55.209 0.024 1
1 191 . 5 1 1 A 16 16 ALA CB C 16 17.853 18.381 -0.528 1
1 192 . 5 1 1 A 16 16 ALA N N 16 122.104 121.867 0.237 1
1 193 . 5 1 1 A 17 17 ILE H H 17 8.719 7.587 1.132 1
1 194 . 5 1 1 A 17 17 ILE HA H 17 3.593 3.695 -0.102 1
1 201 . 5 1 1 A 17 17 ILE C C 17 177.131 177.878 -0.747 1
1 202 . 5 1 1 A 17 17 ILE CA C 17 66.796 65.185 1.611 1
1 203 . 5 1 1 A 17 17 ILE CB C 17 37.700 37.671 0.029 1
1 205 . 5 1 1 A 17 17 ILE N N 17 117.581 118.607 -1.026 1
1 206 . 5 1 1 A 18 18 LYS H H 18 7.795 7.968 -0.173 1
1 207 . 5 1 1 A 18 18 LYS HA H 18 4.025 3.929 0.096 1
1 214 . 5 1 1 A 18 18 LYS C C 18 179.340 179.019 0.321 1
1 215 . 5 1 1 A 18 18 LYS CA C 18 59.829 59.845 -0.016 1
1 216 . 5 1 1 A 18 18 LYS CB C 18 32.079 32.341 -0.262 1
1 220 . 5 1 1 A 18 18 LYS N N 18 119.291 120.829 -1.538 1
1 221 . 5 1 1 A 19 19 GLU H H 19 8.331 8.948 -0.617 1
1 222 . 5 1 1 A 19 19 GLU HA H 19 4.197 4.073 0.124 1
1 227 . 5 1 1 A 19 19 GLU C C 19 179.926 179.746 0.180 1
1 228 . 5 1 1 A 19 19 GLU CA C 19 58.483 59.080 -0.597 1
1 229 . 5 1 1 A 19 19 GLU CB C 19 28.508 29.328 -0.820 1
1 231 . 5 1 1 A 19 19 GLU N N 19 118.386 118.782 -0.396 1
1 232 . 5 1 1 A 20 20 LEU H H 20 8.270 7.720 0.550 1
1 233 . 5 1 1 A 20 20 LEU HA H 20 4.198 4.100 0.098 1
1 240 . 5 1 1 A 20 20 LEU C C 20 180.511 179.167 1.344 1
1 241 . 5 1 1 A 20 20 LEU CA C 20 57.429 58.051 -0.622 1
1 242 . 5 1 1 A 20 20 LEU CB C 20 40.978 41.500 -0.522 1
1 243 . 5 1 1 A 20 20 LEU N N 20 119.581 121.102 -1.521 1
1 244 . 5 1 1 A 21 21 VAL H H 21 9.479 8.542 0.937 1
1 245 . 5 1 1 A 21 21 VAL HA H 21 3.991 3.643 0.348 1
1 250 . 5 1 1 A 21 21 VAL C C 21 180.906 177.346 3.560 1
1 251 . 5 1 1 A 21 21 VAL CA C 21 66.562 66.828 -0.266 1
1 252 . 5 1 1 A 21 21 VAL CB C 21 31.435 31.478 -0.043 1
1 254 . 5 1 1 A 21 21 VAL N N 21 125.030 119.050 5.980 1
1 255 . 5 1 1 A 22 22 ASP H H 22 8.401 8.625 -0.224 1
1 256 . 5 1 1 A 22 22 ASP HA H 22 4.541 4.461 0.080 1
1 259 . 5 1 1 A 22 22 ASP C C 22 177.204 177.080 0.124 1
1 260 . 5 1 1 A 22 22 ASP CA C 22 57.019 56.223 0.796 1
1 261 . 5 1 1 A 22 22 ASP CB C 22 39.983 41.014 -1.031 1
1 262 . 5 1 1 A 22 22 ASP N N 22 122.749 120.527 2.222 1
1 263 . 5 1 1 A 23 23 ALA H H 23 7.485 8.058 -0.573 1
1 264 . 5 1 1 A 23 23 ALA HA H 23 4.522 4.443 0.079 1
1 268 . 5 1 1 A 23 23 ALA C C 23 177.965 178.575 -0.610 1
1 269 . 5 1 1 A 23 23 ALA CA C 23 52.130 52.868 -0.738 1
1 270 . 5 1 1 A 23 23 ALA CB C 23 18.673 21.020 -2.347 1
1 271 . 5 1 1 A 23 23 ALA N N 23 119.207 119.394 -0.187 1
1 272 . 5 1 1 A 24 24 GLY H H 24 8.150 8.014 0.136 1
1 273 . 5 1 1 A 24 24 GLY HA2 H 24 4.183 4.022 0.161 1
1 274 . 5 1 1 A 24 24 GLY HA3 H 24 4.026 4.028 -0.002 1
1 275 . 5 1 1 A 24 24 GLY C C 24 174.731 172.648 2.083 1
1 276 . 5 1 1 A 24 24 GLY CA C 24 45.916 44.674 1.242 1
1 277 . 5 1 1 A 24 24 GLY N N 24 108.009 104.249 3.760 1
1 278 . 5 1 1 A 25 25 THR H H 25 7.786 8.200 -0.414 1
1 279 . 5 1 1 A 25 25 THR HA H 25 4.151 4.602 -0.451 1
1 284 . 5 1 1 A 25 25 THR C C 25 173.194 172.941 0.253 1
1 285 . 5 1 1 A 25 25 THR CA C 25 63.840 60.135 3.705 1
1 286 . 5 1 1 A 25 25 THR CB C 25 69.255 70.017 -0.762 1
1 288 . 5 1 1 A 25 25 THR N N 25 117.202 117.679 -0.477 1
1 289 . 5 1 1 A 26 26 ALA H H 26 8.978 8.497 0.481 1
1 290 . 5 1 1 A 26 26 ALA HA H 26 4.391 4.313 0.078 1
1 294 . 5 1 1 A 26 26 ALA C C 26 178.935 178.378 0.557 1
1 295 . 5 1 1 A 26 26 ALA CA C 26 53.038 51.421 1.617 1
1 296 . 5 1 1 A 26 26 ALA CB C 26 18.566 18.062 0.504 1
1 297 . 5 1 1 A 26 26 ALA N N 26 128.127 126.298 1.829 1
1 298 . 5 1 1 A 27 27 GLU H H 27 8.803 8.569 0.234 1
1 299 . 5 1 1 A 27 27 GLU HA H 27 3.966 4.086 -0.120 1
1 304 . 5 1 1 A 27 27 GLU C C 27 179.999 178.526 1.473 1
1 305 . 5 1 1 A 27 27 GLU CA C 27 59.465 59.172 0.293 1
1 306 . 5 1 1 A 27 27 GLU CB C 27 29.211 28.845 0.366 1
1 308 . 5 1 1 A 27 27 GLU N N 27 123.075 124.440 -1.365 1
1 309 . 5 1 1 A 28 28 LYS H H 28 8.455 8.170 0.285 1
1 310 . 5 1 1 A 28 28 LYS HA H 28 4.048 4.069 -0.021 1
1 315 . 5 1 1 A 28 28 LYS C C 28 177.394 178.773 -1.379 1
1 316 . 5 1 1 A 28 28 LYS CA C 28 58.951 58.932 0.019 1
1 317 . 5 1 1 A 28 28 LYS CB C 28 29.504 32.263 -2.759 1
1 320 . 5 1 1 A 28 28 LYS N N 28 119.368 119.498 -0.130 1
1 321 . 5 1 1 A 29 29 TYR H H 29 7.349 8.566 -1.217 1
1 322 . 5 1 1 A 29 29 TYR HA H 29 4.768 4.293 0.475 1
1 329 . 5 1 1 A 29 29 TYR C C 29 177.496 178.462 -0.966 1
1 330 . 5 1 1 A 29 29 TYR CA C 29 58.599 61.342 -2.743 1
1 331 . 5 1 1 A 29 29 TYR CB C 29 38.229 38.369 -0.140 1
1 336 . 5 1 1 A 29 29 TYR N N 29 117.039 120.299 -3.260 1
1 337 . 5 1 1 A 30 30 ILE H H 30 7.535 8.585 -1.050 1
1 338 . 5 1 1 A 30 30 ILE HA H 30 3.638 3.728 -0.090 1
1 348 . 5 1 1 A 30 30 ILE C C 30 178.462 178.270 0.192 1
1 349 . 5 1 1 A 30 30 ILE CA C 30 65.156 64.890 0.266 1
1 350 . 5 1 1 A 30 30 ILE CB C 30 36.867 36.806 0.061 1
1 353 . 5 1 1 A 30 30 ILE N N 30 120.828 120.717 0.111 1
1 354 . 5 1 1 A 31 31 LYS H H 31 7.862 8.093 -0.231 1
1 355 . 5 1 1 A 31 31 LYS HA H 31 4.053 4.001 0.052 1
1 360 . 5 1 1 A 31 31 LYS C C 31 178.243 178.715 -0.472 1
1 361 . 5 1 1 A 31 31 LYS CA C 31 58.796 59.119 -0.323 1
1 362 . 5 1 1 A 31 31 LYS CB C 31 31.723 32.116 -0.393 1
1 365 . 5 1 1 A 31 31 LYS N N 31 116.578 121.832 -5.254 1
1 366 . 5 1 1 A 32 32 LEU H H 32 7.353 7.402 -0.049 1
1 367 . 5 1 1 A 32 32 LEU HA H 32 4.128 4.129 -0.001 1
1 373 . 5 1 1 A 32 32 LEU C C 32 180.028 178.684 1.344 1
1 374 . 5 1 1 A 32 32 LEU CA C 32 57.809 57.572 0.237 1
1 375 . 5 1 1 A 32 32 LEU CB C 32 41.196 41.830 -0.634 1
1 378 . 5 1 1 A 32 32 LEU N N 32 117.030 120.226 -3.196 1
1 379 . 5 1 1 A 33 33 ILE H H 33 7.494 7.820 -0.326 1
1 380 . 5 1 1 A 33 33 ILE HA H 33 3.760 3.821 -0.061 1
1 387 . 5 1 1 A 33 33 ILE C C 33 178.477 177.638 0.839 1
1 388 . 5 1 1 A 33 33 ILE CA C 33 62.407 64.169 -1.762 1
1 389 . 5 1 1 A 33 33 ILE CB C 33 35.407 37.425 -2.018 1
1 391 . 5 1 1 A 33 33 ILE N N 33 118.141 115.695 2.446 1
1 392 . 5 1 1 A 34 34 ALA H H 34 7.777 7.806 -0.029 1
1 393 . 5 1 1 A 34 34 ALA HA H 34 4.031 3.948 0.083 1
1 397 . 5 1 1 A 34 34 ALA C C 34 178.857 179.138 -0.281 1
1 398 . 5 1 1 A 34 34 ALA CA C 34 54.662 55.503 -0.841 1
1 399 . 5 1 1 A 34 34 ALA CB C 34 18.492 18.883 -0.391 1
1 400 . 5 1 1 A 34 34 ALA N N 34 119.230 124.036 -4.806 1
1 401 . 5 1 1 A 35 35 ASN H H 35 7.418 7.558 -0.140 1
1 402 . 5 1 1 A 35 35 ASN HA H 35 4.863 4.755 0.108 1
1 407 . 5 1 1 A 35 35 ASN C C 35 175.345 175.832 -0.487 1
1 408 . 5 1 1 A 35 35 ASN CA C 35 52.686 53.439 -0.753 1
1 409 . 5 1 1 A 35 35 ASN CB C 35 39.075 39.657 -0.582 1
1 410 . 5 1 1 A 35 35 ASN N N 35 113.022 115.574 -2.552 1
1 412 . 5 1 1 A 36 36 ALA H H 36 7.529 8.083 -0.554 1
1 413 . 5 1 1 A 36 36 ALA HA H 36 4.329 3.894 0.435 1
1 417 . 5 1 1 A 36 36 ALA C C 36 177.862 177.400 0.462 1
1 418 . 5 1 1 A 36 36 ALA CA C 36 53.389 54.256 -0.867 1
1 419 . 5 1 1 A 36 36 ALA CB C 36 19.141 18.121 1.020 1
1 420 . 5 1 1 A 36 36 ALA N N 36 124.061 120.907 3.154 1
1 421 . 5 1 1 A 37 37 LYS H H 37 8.891 7.771 1.120 1
1 422 . 5 1 1 A 37 37 LYS HA H 37 4.450 4.378 0.072 1
1 427 . 5 1 1 A 37 37 LYS C C 37 176.758 175.905 0.853 1
1 428 . 5 1 1 A 37 37 LYS CA C 37 56.476 56.748 -0.272 1
1 429 . 5 1 1 A 37 37 LYS CB C 37 34.789 34.631 0.158 1
1 433 . 5 1 1 A 37 37 LYS N N 37 117.071 111.349 5.722 1
1 434 . 5 1 1 A 38 38 THR H H 38 7.406 7.554 -0.148 1
1 435 . 5 1 1 A 38 38 THR HA H 38 4.704 4.716 -0.012 1
1 440 . 5 1 1 A 38 38 THR C C 38 173.984 173.777 0.207 1
1 441 . 5 1 1 A 38 38 THR CA C 38 58.248 60.346 -2.098 1
1 442 . 5 1 1 A 38 38 THR CB C 38 72.884 71.283 1.601 1
1 444 . 5 1 1 A 38 38 THR N N 38 106.340 112.210 -5.870 1
1 445 . 5 1 1 A 39 39 VAL H H 39 8.967 8.984 -0.017 1
1 446 . 5 1 1 A 39 39 VAL HA H 39 3.208 3.512 -0.304 1
1 451 . 5 1 1 A 39 39 VAL C C 39 176.735 177.934 -1.199 1
1 452 . 5 1 1 A 39 39 VAL CA C 39 67.315 66.699 0.616 1
1 453 . 5 1 1 A 39 39 VAL CB C 39 30.909 31.966 -1.057 1
1 455 . 5 1 1 A 39 39 VAL N N 39 122.904 121.211 1.693 1
1 456 . 5 1 1 A 40 40 GLU H H 40 8.900 8.285 0.615 1
1 457 . 5 1 1 A 40 40 GLU HA H 40 4.076 4.322 -0.246 1
1 462 . 5 1 1 A 40 40 GLU C C 40 179.355 179.153 0.202 1
1 463 . 5 1 1 A 40 40 GLU CA C 40 60.061 59.536 0.525 1
1 464 . 5 1 1 A 40 40 GLU CB C 40 28.401 29.219 -0.818 1
1 466 . 5 1 1 A 40 40 GLU N N 40 118.190 120.398 -2.208 1
1 467 . 5 1 1 A 41 41 GLY H H 41 8.199 8.378 -0.179 1
1 468 . 5 1 1 A 41 41 GLY HA2 H 41 4.039 3.691 0.348 1
1 469 . 5 1 1 A 41 41 GLY HA3 H 41 3.919 3.713 0.206 1
1 470 . 5 1 1 A 41 41 GLY C C 41 176.267 176.557 -0.290 1
1 471 . 5 1 1 A 41 41 GLY CA C 41 46.167 47.355 -1.188 1
1 472 . 5 1 1 A 41 41 GLY N N 41 108.663 107.641 1.022 1
1 473 . 5 1 1 A 42 42 VAL H H 42 7.662 7.541 0.121 1
1 474 . 5 1 1 A 42 42 VAL HA H 42 3.182 3.672 -0.490 1
1 479 . 5 1 1 A 42 42 VAL C C 42 177.014 178.462 -1.448 1
1 480 . 5 1 1 A 42 42 VAL CA C 42 67.030 65.555 1.475 1
1 481 . 5 1 1 A 42 42 VAL CB C 42 30.616 31.430 -0.814 1
1 483 . 5 1 1 A 42 42 VAL N N 42 123.036 121.238 1.798 1
1 484 . 5 1 1 A 43 43 TRP H H 43 7.726 7.622 0.104 1
1 485 . 5 1 1 A 43 43 TRP HA H 43 4.640 4.405 0.235 1
1 494 . 5 1 1 A 43 43 TRP C C 43 179.135 179.117 0.018 1
1 495 . 5 1 1 A 43 43 TRP CA C 43 59.208 59.954 -0.746 1
1 496 . 5 1 1 A 43 43 TRP CB C 43 29.033 29.107 -0.074 1
1 502 . 5 1 1 A 43 43 TRP N N 43 118.730 119.701 -0.971 1
1 504 . 5 1 1 A 44 44 THR H H 44 8.545 8.115 0.430 1
1 505 . 5 1 1 A 44 44 THR HA H 44 4.223 4.075 0.148 1
1 510 . 5 1 1 A 44 44 THR C C 44 177.189 176.354 0.835 1
1 511 . 5 1 1 A 44 44 THR CA C 44 66.351 67.133 -0.782 1
1 512 . 5 1 1 A 44 44 THR CB C 44 68.921 68.813 0.108 1
1 514 . 5 1 1 A 44 44 THR N N 44 115.228 116.820 -1.592 1
1 515 . 5 1 1 A 45 45 LEU H H 45 7.961 8.034 -0.073 1
1 516 . 5 1 1 A 45 45 LEU HA H 45 4.299 3.848 0.451 1
1 523 . 5 1 1 A 45 45 LEU C C 45 178.301 179.246 -0.945 1
1 524 . 5 1 1 A 45 45 LEU CA C 45 57.759 58.302 -0.543 1
1 525 . 5 1 1 A 45 45 LEU CB C 45 42.462 41.709 0.753 1
1 527 . 5 1 1 A 45 45 LEU N N 45 123.256 120.077 3.179 1
1 528 . 5 1 1 A 46 46 LYS H H 46 8.645 7.937 0.708 1
1 529 . 5 1 1 A 46 46 LYS HA H 46 3.850 4.040 -0.190 1
1 536 . 5 1 1 A 46 46 LYS C C 46 177.716 178.247 -0.531 1
1 537 . 5 1 1 A 46 46 LYS CA C 46 60.731 59.053 1.678 1
1 538 . 5 1 1 A 46 46 LYS CB C 46 30.700 32.243 -1.543 1
1 540 . 5 1 1 A 46 46 LYS N N 46 119.178 117.838 1.340 1
1 541 . 5 1 1 A 47 47 ASP H H 47 7.711 8.087 -0.376 1
1 542 . 5 1 1 A 47 47 ASP HA H 47 4.539 4.463 0.076 1
1 545 . 5 1 1 A 47 47 ASP C C 47 178.755 178.447 0.308 1
1 546 . 5 1 1 A 47 47 ASP CA C 47 57.095 56.849 0.246 1
1 547 . 5 1 1 A 47 47 ASP CB C 47 40.138 41.566 -1.428 1
1 548 . 5 1 1 A 47 47 ASP N N 47 117.538 119.553 -2.015 1
1 549 . 5 1 1 A 48 48 GLU H H 48 7.951 8.497 -0.546 1
1 550 . 5 1 1 A 48 48 GLU HA H 48 3.989 4.023 -0.034 1
1 555 . 5 1 1 A 48 48 GLU C C 48 179.165 179.252 -0.087 1
1 556 . 5 1 1 A 48 48 GLU CA C 48 59.143 58.748 0.395 1
1 557 . 5 1 1 A 48 48 GLU CB C 48 29.783 29.216 0.567 1
1 559 . 5 1 1 A 48 48 GLU N N 48 121.677 118.136 3.541 1
1 560 . 5 1 1 A 49 49 ILE H H 49 8.602 7.851 0.751 1
1 561 . 5 1 1 A 49 49 ILE HA H 49 3.834 3.710 0.124 1
1 568 . 5 1 1 A 49 49 ILE C C 49 177.379 178.430 -1.051 1
1 569 . 5 1 1 A 49 49 ILE CA C 49 64.044 64.731 -0.687 1
1 570 . 5 1 1 A 49 49 ILE CB C 49 37.896 37.079 0.817 1
1 572 . 5 1 1 A 49 49 ILE N N 49 120.326 121.114 -0.788 1
1 573 . 5 1 1 A 50 50 LYS H H 50 7.785 7.850 -0.065 1
1 574 . 5 1 1 A 50 50 LYS HA H 50 4.057 4.105 -0.048 1
1 583 . 5 1 1 A 50 50 LYS C C 50 177.848 178.792 -0.944 1
1 584 . 5 1 1 A 50 50 LYS CA C 50 59.629 59.045 0.584 1
1 585 . 5 1 1 A 50 50 LYS CB C 50 32.026 32.138 -0.112 1
1 587 . 5 1 1 A 50 50 LYS N N 50 119.242 121.121 -1.879 1
1 588 . 5 1 1 A 51 51 THR H H 51 7.609 8.240 -0.631 1
1 589 . 5 1 1 A 51 51 THR HA H 51 4.344 4.144 0.200 1
1 594 . 5 1 1 A 51 51 THR C C 51 175.360 174.832 0.528 1
1 595 . 5 1 1 A 51 51 THR CA C 51 63.224 65.689 -2.465 1
1 596 . 5 1 1 A 51 51 THR CB C 51 69.781 69.090 0.691 1
1 598 . 5 1 1 A 51 51 THR N N 51 109.871 116.541 -6.670 1
1 599 . 5 1 1 A 52 52 PHE H H 52 7.645 8.268 -0.623 1
1 600 . 5 1 1 A 52 52 PHE HA H 52 4.810 4.403 0.407 1
1 607 . 5 1 1 A 52 52 PHE C C 52 176.750 174.383 2.367 1
1 608 . 5 1 1 A 52 52 PHE CA C 52 56.960 58.960 -2.000 1
1 609 . 5 1 1 A 52 52 PHE CB C 52 37.622 37.781 -0.159 1
1 614 . 5 1 1 A 52 52 PHE N N 52 120.960 120.400 0.560 1
1 615 . 5 1 1 A 53 53 THR H H 53 8.124 7.464 0.660 1
1 616 . 5 1 1 A 53 53 THR HA H 53 4.472 4.825 -0.353 1
1 621 . 5 1 1 A 53 53 THR C C 53 174.394 173.975 0.419 1
1 622 . 5 1 1 A 53 53 THR CA C 53 62.464 60.139 2.325 1
1 623 . 5 1 1 A 53 53 THR CB C 53 70.045 72.105 -2.060 1
1 625 . 5 1 1 A 53 53 THR N N 53 113.896 109.235 4.661 1
1 626 . 5 1 1 A 54 54 VAL H H 54 8.114 8.561 -0.447 1
1 627 . 5 1 1 A 54 54 VAL HA H 54 4.346 4.453 -0.107 1
1 632 . 5 1 1 A 54 54 VAL C C 54 176.209 175.430 0.779 1
1 633 . 5 1 1 A 54 54 VAL CA C 54 62.128 61.559 0.569 1
1 634 . 5 1 1 A 54 54 VAL CB C 54 32.694 32.096 0.598 1
1 636 . 5 1 1 A 54 54 VAL N N 54 122.467 118.772 3.695 1
1 637 . 5 1 1 A 55 55 THR H H 55 8.362 8.114 0.248 1
1 638 . 5 1 1 A 55 55 THR HA H 55 4.409 3.968 0.441 1
1 643 . 5 1 1 A 55 55 THR C C 55 173.648 174.832 -1.184 1
1 644 . 5 1 1 A 55 55 THR CA C 55 61.875 63.332 -1.457 1
1 645 . 5 1 1 A 55 55 THR CB C 55 69.860 66.743 3.117 1
1 647 . 5 1 1 A 55 55 THR N N 55 118.624 114.454 4.170 1
1 3 . 6 1 1 A 2 2 THR H H 2 8.109 7.801 0.308 1
1 4 . 6 1 1 A 2 2 THR HA H 2 4.400 4.503 -0.103 1
1 9 . 6 1 1 A 2 2 THR C C 2 173.933 174.763 -0.830 1
1 10 . 6 1 1 A 2 2 THR CA C 2 61.842 61.677 0.165 1
1 11 . 6 1 1 A 2 2 THR CB C 2 69.793 69.053 0.740 1
1 13 . 6 1 1 A 2 2 THR N N 2 128.532 113.440 15.092 1
1 14 . 6 1 1 A 3 3 TYR H H 3 8.424 8.016 0.408 1
1 15 . 6 1 1 A 3 3 TYR HA H 3 4.434 4.617 -0.183 1
1 22 . 6 1 1 A 3 3 TYR C C 3 175.696 175.290 0.406 1
1 23 . 6 1 1 A 3 3 TYR CA C 3 58.210 59.961 -1.751 1
1 24 . 6 1 1 A 3 3 TYR CB C 3 38.473 39.629 -1.156 1
1 27 . 6 1 1 A 3 3 TYR N N 3 123.975 120.449 3.526 1
1 28 . 6 1 1 A 4 4 LYS H H 4 8.160 7.780 0.380 1
1 29 . 6 1 1 A 4 4 LYS HA H 4 4.217 4.800 -0.583 1
1 36 . 6 1 1 A 4 4 LYS C C 4 175.989 175.663 0.326 1
1 37 . 6 1 1 A 4 4 LYS CA C 4 56.657 54.832 1.825 1
1 38 . 6 1 1 A 4 4 LYS CB C 4 32.834 34.479 -1.645 1
1 42 . 6 1 1 A 4 4 LYS N N 4 122.591 117.789 4.802 1
1 43 . 6 1 1 A 5 5 LEU H H 5 8.050 8.669 -0.619 1
1 44 . 6 1 1 A 5 5 LEU HA H 5 4.325 4.726 -0.401 1
1 50 . 6 1 1 A 5 5 LEU C C 5 177.233 175.287 1.946 1
1 51 . 6 1 1 A 5 5 LEU CA C 5 55.392 54.368 1.024 1
1 52 . 6 1 1 A 5 5 LEU CB C 5 41.995 42.191 -0.196 1
1 56 . 6 1 1 A 5 5 LEU N N 5 122.335 120.785 1.550 1
1 57 . 6 1 1 A 6 6 ILE H H 6 8.136 8.486 -0.350 1
1 58 . 6 1 1 A 6 6 ILE HA H 6 4.230 4.474 -0.244 1
1 68 . 6 1 1 A 6 6 ILE C C 6 176.253 175.627 0.626 1
1 69 . 6 1 1 A 6 6 ILE CA C 6 61.256 60.247 1.009 1
1 70 . 6 1 1 A 6 6 ILE CB C 6 38.070 38.680 -0.610 1
1 74 . 6 1 1 A 6 6 ILE N N 6 122.472 123.308 -0.836 1
1 75 . 6 1 1 A 7 7 LEU H H 7 8.234 8.599 -0.365 1
1 76 . 6 1 1 A 7 7 LEU HA H 7 4.521 3.971 0.550 1
1 82 . 6 1 1 A 7 7 LEU C C 7 177.087 176.599 0.488 1
1 83 . 6 1 1 A 7 7 LEU CA C 7 55.268 57.154 -1.886 1
1 84 . 6 1 1 A 7 7 LEU CB C 7 42.738 41.044 1.694 1
1 87 . 6 1 1 A 7 7 LEU N N 7 125.667 124.579 1.088 1
1 88 . 6 1 1 A 8 8 ASN H H 8 8.195 8.525 -0.330 1
1 89 . 6 1 1 A 8 8 ASN HA H 8 4.801 4.981 -0.180 1
1 94 . 6 1 1 A 8 8 ASN C C 8 175.345 176.203 -0.858 1
1 95 . 6 1 1 A 8 8 ASN CA C 8 52.541 54.434 -1.893 1
1 96 . 6 1 1 A 8 8 ASN CB C 8 38.782 41.070 -2.288 1
1 97 . 6 1 1 A 8 8 ASN N N 8 118.150 120.296 -2.146 1
1 99 . 6 1 1 A 9 9 LEU H H 9 8.434 8.215 0.219 1
1 100 . 6 1 1 A 9 9 LEU HA H 9 3.974 4.187 -0.213 1
1 109 . 6 1 1 A 9 9 LEU C C 9 177.160 178.986 -1.826 1
1 110 . 6 1 1 A 9 9 LEU CA C 9 58.418 56.798 1.620 1
1 111 . 6 1 1 A 9 9 LEU CB C 9 42.073 41.787 0.286 1
1 114 . 6 1 1 A 9 9 LEU N N 9 121.944 118.522 3.422 1
1 115 . 6 1 1 A 10 10 LYS H H 10 8.115 8.175 -0.060 1
1 116 . 6 1 1 A 10 10 LYS HA H 10 3.964 3.898 0.066 1
1 121 . 6 1 1 A 10 10 LYS C C 10 178.535 178.576 -0.041 1
1 122 . 6 1 1 A 10 10 LYS CA C 10 60.121 60.178 -0.057 1
1 123 . 6 1 1 A 10 10 LYS CB C 10 32.108 32.186 -0.078 1
1 126 . 6 1 1 A 10 10 LYS N N 10 118.923 117.970 0.953 1
1 127 . 6 1 1 A 11 11 GLN H H 11 7.647 8.005 -0.358 1
1 128 . 6 1 1 A 11 11 GLN HA H 11 4.198 4.101 0.097 1
1 135 . 6 1 1 A 11 11 GLN C C 11 179.267 177.605 1.662 1
1 136 . 6 1 1 A 11 11 GLN CA C 11 59.331 58.666 0.665 1
1 137 . 6 1 1 A 11 11 GLN CB C 11 29.621 28.843 0.778 1
1 139 . 6 1 1 A 11 11 GLN N N 11 117.482 119.357 -1.875 1
1 141 . 6 1 1 A 12 12 ALA H H 12 8.431 8.206 0.225 1
1 142 . 6 1 1 A 12 12 ALA HA H 12 4.200 2.513 1.687 1
1 146 . 6 1 1 A 12 12 ALA C C 12 179.809 179.154 0.655 1
1 147 . 6 1 1 A 12 12 ALA CA C 12 55.484 54.623 0.861 1
1 148 . 6 1 1 A 12 12 ALA CB C 12 18.673 17.569 1.104 1
1 149 . 6 1 1 A 12 12 ALA N N 12 122.387 121.664 0.723 1
1 150 . 6 1 1 A 13 13 LYS H H 13 8.361 8.429 -0.068 1
1 151 . 6 1 1 A 13 13 LYS HA H 13 3.671 3.905 -0.234 1
1 158 . 6 1 1 A 13 13 LYS C C 13 177.701 178.874 -1.173 1
1 159 . 6 1 1 A 13 13 LYS CA C 13 60.773 59.033 1.740 1
1 160 . 6 1 1 A 13 13 LYS CB C 13 33.191 32.246 0.945 1
1 163 . 6 1 1 A 13 13 LYS N N 13 116.790 116.650 0.140 1
1 164 . 6 1 1 A 14 14 GLU H H 14 7.953 8.390 -0.437 1
1 165 . 6 1 1 A 14 14 GLU HA H 14 3.979 3.935 0.044 1
1 170 . 6 1 1 A 14 14 GLU C C 14 178.067 179.228 -1.161 1
1 171 . 6 1 1 A 14 14 GLU CA C 14 59.824 59.680 0.144 1
1 172 . 6 1 1 A 14 14 GLU CB C 14 29.389 29.332 0.057 1
1 174 . 6 1 1 A 14 14 GLU N N 14 116.988 119.736 -2.748 1
1 175 . 6 1 1 A 15 15 GLU H H 15 8.442 8.552 -0.110 1
1 176 . 6 1 1 A 15 15 GLU HA H 15 4.053 4.093 -0.040 1
1 179 . 6 1 1 A 15 15 GLU C C 15 178.374 179.127 -0.753 1
1 180 . 6 1 1 A 15 15 GLU CA C 15 58.307 59.172 -0.865 1
1 181 . 6 1 1 A 15 15 GLU CB C 15 29.030 29.338 -0.308 1
1 183 . 6 1 1 A 15 15 GLU N N 15 115.659 119.554 -3.895 1
1 184 . 6 1 1 A 16 16 ALA H H 16 8.555 7.816 0.739 1
1 185 . 6 1 1 A 16 16 ALA HA H 16 4.199 4.037 0.162 1
1 189 . 6 1 1 A 16 16 ALA C C 16 179.399 180.107 -0.708 1
1 190 . 6 1 1 A 16 16 ALA CA C 16 55.233 55.279 -0.046 1
1 191 . 6 1 1 A 16 16 ALA CB C 16 17.853 17.832 0.021 1
1 192 . 6 1 1 A 16 16 ALA N N 16 122.104 122.634 -0.530 1
1 193 . 6 1 1 A 17 17 ILE H H 17 8.719 7.486 1.233 1
1 194 . 6 1 1 A 17 17 ILE HA H 17 3.593 3.690 -0.097 1
1 201 . 6 1 1 A 17 17 ILE C C 17 177.131 177.944 -0.813 1
1 202 . 6 1 1 A 17 17 ILE CA C 17 66.796 64.988 1.808 1
1 203 . 6 1 1 A 17 17 ILE CB C 17 37.700 37.737 -0.037 1
1 205 . 6 1 1 A 17 17 ILE N N 17 117.581 118.839 -1.258 1
1 206 . 6 1 1 A 18 18 LYS H H 18 7.795 8.360 -0.565 1
1 207 . 6 1 1 A 18 18 LYS HA H 18 4.025 4.071 -0.046 1
1 214 . 6 1 1 A 18 18 LYS C C 18 179.340 178.659 0.681 1
1 215 . 6 1 1 A 18 18 LYS CA C 18 59.829 59.206 0.623 1
1 216 . 6 1 1 A 18 18 LYS CB C 18 32.079 32.248 -0.169 1
1 220 . 6 1 1 A 18 18 LYS N N 18 119.291 120.571 -1.280 1
1 221 . 6 1 1 A 19 19 GLU H H 19 8.331 8.458 -0.127 1
1 222 . 6 1 1 A 19 19 GLU HA H 19 4.197 4.065 0.132 1
1 227 . 6 1 1 A 19 19 GLU C C 19 179.926 179.578 0.348 1
1 228 . 6 1 1 A 19 19 GLU CA C 19 58.483 59.077 -0.594 1
1 229 . 6 1 1 A 19 19 GLU CB C 19 28.508 29.409 -0.901 1
1 231 . 6 1 1 A 19 19 GLU N N 19 118.386 119.720 -1.334 1
1 232 . 6 1 1 A 20 20 LEU H H 20 8.270 7.685 0.585 1
1 233 . 6 1 1 A 20 20 LEU HA H 20 4.198 4.095 0.103 1
1 240 . 6 1 1 A 20 20 LEU C C 20 180.511 178.784 1.727 1
1 241 . 6 1 1 A 20 20 LEU CA C 20 57.429 58.100 -0.671 1
1 242 . 6 1 1 A 20 20 LEU CB C 20 40.978 41.610 -0.632 1
1 243 . 6 1 1 A 20 20 LEU N N 20 119.581 121.530 -1.949 1
1 244 . 6 1 1 A 21 21 VAL H H 21 9.479 8.809 0.670 1
1 245 . 6 1 1 A 21 21 VAL HA H 21 3.991 3.531 0.460 1
1 250 . 6 1 1 A 21 21 VAL C C 21 180.906 178.580 2.326 1
1 251 . 6 1 1 A 21 21 VAL CA C 21 66.562 67.095 -0.533 1
1 252 . 6 1 1 A 21 21 VAL CB C 21 31.435 31.324 0.111 1
1 254 . 6 1 1 A 21 21 VAL N N 21 125.030 119.118 5.912 1
1 255 . 6 1 1 A 22 22 ASP H H 22 8.401 8.559 -0.158 1
1 256 . 6 1 1 A 22 22 ASP HA H 22 4.541 4.497 0.044 1
1 259 . 6 1 1 A 22 22 ASP C C 22 177.204 176.378 0.826 1
1 260 . 6 1 1 A 22 22 ASP CA C 22 57.019 56.403 0.616 1
1 261 . 6 1 1 A 22 22 ASP CB C 22 39.983 40.837 -0.854 1
1 262 . 6 1 1 A 22 22 ASP N N 22 122.749 121.504 1.245 1
1 263 . 6 1 1 A 23 23 ALA H H 23 7.485 7.887 -0.402 1
1 264 . 6 1 1 A 23 23 ALA HA H 23 4.522 4.638 -0.116 1
1 268 . 6 1 1 A 23 23 ALA C C 23 177.965 177.254 0.711 1
1 269 . 6 1 1 A 23 23 ALA CA C 23 52.130 53.079 -0.949 1
1 270 . 6 1 1 A 23 23 ALA CB C 23 18.673 20.846 -2.173 1
1 271 . 6 1 1 A 23 23 ALA N N 23 119.207 119.852 -0.645 1
1 272 . 6 1 1 A 24 24 GLY H H 24 8.150 7.643 0.507 1
1 273 . 6 1 1 A 24 24 GLY HA2 H 24 4.183 4.102 0.081 1
1 274 . 6 1 1 A 24 24 GLY HA3 H 24 4.026 4.103 -0.077 1
1 275 . 6 1 1 A 24 24 GLY C C 24 174.731 174.016 0.715 1
1 276 . 6 1 1 A 24 24 GLY CA C 24 45.916 45.623 0.293 1
1 277 . 6 1 1 A 24 24 GLY N N 24 108.009 103.791 4.218 1
1 278 . 6 1 1 A 25 25 THR H H 25 7.786 8.449 -0.663 1
1 279 . 6 1 1 A 25 25 THR HA H 25 4.151 4.307 -0.156 1
1 284 . 6 1 1 A 25 25 THR C C 25 173.194 173.564 -0.370 1
1 285 . 6 1 1 A 25 25 THR CA C 25 63.840 63.124 0.716 1
1 286 . 6 1 1 A 25 25 THR CB C 25 69.255 68.679 0.576 1
1 288 . 6 1 1 A 25 25 THR N N 25 117.202 116.683 0.519 1
1 289 . 6 1 1 A 26 26 ALA H H 26 8.978 8.313 0.665 1
1 290 . 6 1 1 A 26 26 ALA HA H 26 4.391 4.295 0.096 1
1 294 . 6 1 1 A 26 26 ALA C C 26 178.935 178.349 0.586 1
1 295 . 6 1 1 A 26 26 ALA CA C 26 53.038 51.380 1.658 1
1 296 . 6 1 1 A 26 26 ALA CB C 26 18.566 18.216 0.350 1
1 297 . 6 1 1 A 26 26 ALA N N 26 128.127 127.141 0.986 1
1 298 . 6 1 1 A 27 27 GLU H H 27 8.803 8.433 0.370 1
1 299 . 6 1 1 A 27 27 GLU HA H 27 3.966 4.073 -0.107 1
1 304 . 6 1 1 A 27 27 GLU C C 27 179.999 178.363 1.636 1
1 305 . 6 1 1 A 27 27 GLU CA C 27 59.465 59.077 0.388 1
1 306 . 6 1 1 A 27 27 GLU CB C 27 29.211 28.883 0.328 1
1 308 . 6 1 1 A 27 27 GLU N N 27 123.075 124.835 -1.760 1
1 309 . 6 1 1 A 28 28 LYS H H 28 8.455 8.251 0.204 1
1 310 . 6 1 1 A 28 28 LYS HA H 28 4.048 4.077 -0.029 1
1 315 . 6 1 1 A 28 28 LYS C C 28 177.394 178.188 -0.794 1
1 316 . 6 1 1 A 28 28 LYS CA C 28 58.951 58.936 0.015 1
1 317 . 6 1 1 A 28 28 LYS CB C 28 29.504 31.842 -2.338 1
1 320 . 6 1 1 A 28 28 LYS N N 28 119.368 119.013 0.355 1
1 321 . 6 1 1 A 29 29 TYR H H 29 7.349 8.232 -0.883 1
1 322 . 6 1 1 A 29 29 TYR HA H 29 4.768 4.110 0.658 1
1 329 . 6 1 1 A 29 29 TYR C C 29 177.496 177.514 -0.018 1
1 330 . 6 1 1 A 29 29 TYR CA C 29 58.599 61.060 -2.461 1
1 331 . 6 1 1 A 29 29 TYR CB C 29 38.229 38.544 -0.315 1
1 336 . 6 1 1 A 29 29 TYR N N 29 117.039 119.982 -2.943 1
1 337 . 6 1 1 A 30 30 ILE H H 30 7.535 8.622 -1.087 1
1 338 . 6 1 1 A 30 30 ILE HA H 30 3.638 3.687 -0.049 1
1 348 . 6 1 1 A 30 30 ILE C C 30 178.462 178.207 0.255 1
1 349 . 6 1 1 A 30 30 ILE CA C 30 65.156 65.410 -0.254 1
1 350 . 6 1 1 A 30 30 ILE CB C 30 36.867 37.899 -1.032 1
1 353 . 6 1 1 A 30 30 ILE N N 30 120.828 120.841 -0.013 1
1 354 . 6 1 1 A 31 31 LYS H H 31 7.862 7.978 -0.116 1
1 355 . 6 1 1 A 31 31 LYS HA H 31 4.053 3.970 0.083 1
1 360 . 6 1 1 A 31 31 LYS C C 31 178.243 178.776 -0.533 1
1 361 . 6 1 1 A 31 31 LYS CA C 31 58.796 59.202 -0.406 1
1 362 . 6 1 1 A 31 31 LYS CB C 31 31.723 32.153 -0.430 1
1 365 . 6 1 1 A 31 31 LYS N N 31 116.578 121.815 -5.237 1
1 366 . 6 1 1 A 32 32 LEU H H 32 7.353 7.721 -0.368 1
1 367 . 6 1 1 A 32 32 LEU HA H 32 4.128 4.106 0.022 1
1 373 . 6 1 1 A 32 32 LEU C C 32 180.028 178.765 1.263 1
1 374 . 6 1 1 A 32 32 LEU CA C 32 57.809 57.351 0.458 1
1 375 . 6 1 1 A 32 32 LEU CB C 32 41.196 41.784 -0.588 1
1 378 . 6 1 1 A 32 32 LEU N N 32 117.030 120.305 -3.275 1
1 379 . 6 1 1 A 33 33 ILE H H 33 7.494 8.239 -0.745 1
1 380 . 6 1 1 A 33 33 ILE HA H 33 3.760 3.917 -0.157 1
1 387 . 6 1 1 A 33 33 ILE C C 33 178.477 177.848 0.629 1
1 388 . 6 1 1 A 33 33 ILE CA C 33 62.407 63.692 -1.285 1
1 389 . 6 1 1 A 33 33 ILE CB C 33 35.407 37.317 -1.910 1
1 391 . 6 1 1 A 33 33 ILE N N 33 118.141 115.331 2.810 1
1 392 . 6 1 1 A 34 34 ALA H H 34 7.777 7.471 0.306 1
1 393 . 6 1 1 A 34 34 ALA HA H 34 4.031 3.981 0.050 1
1 397 . 6 1 1 A 34 34 ALA C C 34 178.857 178.851 0.006 1
1 398 . 6 1 1 A 34 34 ALA CA C 34 54.662 54.856 -0.194 1
1 399 . 6 1 1 A 34 34 ALA CB C 34 18.492 18.657 -0.165 1
1 400 . 6 1 1 A 34 34 ALA N N 34 119.230 123.857 -4.627 1
1 401 . 6 1 1 A 35 35 ASN H H 35 7.418 7.664 -0.246 1
1 402 . 6 1 1 A 35 35 ASN HA H 35 4.863 4.826 0.037 1
1 407 . 6 1 1 A 35 35 ASN C C 35 175.345 175.885 -0.540 1
1 408 . 6 1 1 A 35 35 ASN CA C 35 52.686 53.235 -0.549 1
1 409 . 6 1 1 A 35 35 ASN CB C 35 39.075 38.961 0.114 1
1 410 . 6 1 1 A 35 35 ASN N N 35 113.022 114.591 -1.569 1
1 412 . 6 1 1 A 36 36 ALA H H 36 7.529 8.002 -0.473 1
1 413 . 6 1 1 A 36 36 ALA HA H 36 4.329 4.045 0.284 1
1 417 . 6 1 1 A 36 36 ALA C C 36 177.862 178.067 -0.205 1
1 418 . 6 1 1 A 36 36 ALA CA C 36 53.389 55.129 -1.740 1
1 419 . 6 1 1 A 36 36 ALA CB C 36 19.141 18.838 0.303 1
1 420 . 6 1 1 A 36 36 ALA N N 36 124.061 122.453 1.608 1
1 421 . 6 1 1 A 37 37 LYS H H 37 8.891 8.000 0.891 1
1 422 . 6 1 1 A 37 37 LYS HA H 37 4.450 4.253 0.197 1
1 427 . 6 1 1 A 37 37 LYS C C 37 176.758 175.748 1.010 1
1 428 . 6 1 1 A 37 37 LYS CA C 37 56.476 58.535 -2.059 1
1 429 . 6 1 1 A 37 37 LYS CB C 37 34.789 32.112 2.677 1
1 433 . 6 1 1 A 37 37 LYS N N 37 117.071 117.262 -0.191 1
1 434 . 6 1 1 A 38 38 THR H H 38 7.406 8.370 -0.964 1
1 435 . 6 1 1 A 38 38 THR HA H 38 4.704 4.502 0.202 1
1 440 . 6 1 1 A 38 38 THR C C 38 173.984 176.043 -2.059 1
1 441 . 6 1 1 A 38 38 THR CA C 38 58.248 60.828 -2.580 1
1 442 . 6 1 1 A 38 38 THR CB C 38 72.884 70.629 2.255 1
1 444 . 6 1 1 A 38 38 THR N N 38 106.340 109.705 -3.365 1
1 445 . 6 1 1 A 39 39 VAL H H 39 8.967 8.997 -0.030 1
1 446 . 6 1 1 A 39 39 VAL HA H 39 3.208 3.724 -0.516 1
1 451 . 6 1 1 A 39 39 VAL C C 39 176.735 178.271 -1.536 1
1 452 . 6 1 1 A 39 39 VAL CA C 39 67.315 65.787 1.528 1
1 453 . 6 1 1 A 39 39 VAL CB C 39 30.909 31.834 -0.925 1
1 455 . 6 1 1 A 39 39 VAL N N 39 122.904 121.622 1.282 1
1 456 . 6 1 1 A 40 40 GLU H H 40 8.900 8.516 0.384 1
1 457 . 6 1 1 A 40 40 GLU HA H 40 4.076 4.245 -0.169 1
1 462 . 6 1 1 A 40 40 GLU C C 40 179.355 179.406 -0.051 1
1 463 . 6 1 1 A 40 40 GLU CA C 40 60.061 59.651 0.410 1
1 464 . 6 1 1 A 40 40 GLU CB C 40 28.401 29.237 -0.836 1
1 466 . 6 1 1 A 40 40 GLU N N 40 118.190 122.113 -3.923 1
1 467 . 6 1 1 A 41 41 GLY H H 41 8.199 8.374 -0.175 1
1 468 . 6 1 1 A 41 41 GLY HA2 H 41 4.039 3.741 0.298 1
1 469 . 6 1 1 A 41 41 GLY HA3 H 41 3.919 3.760 0.159 1
1 470 . 6 1 1 A 41 41 GLY C C 41 176.267 176.634 -0.367 1
1 471 . 6 1 1 A 41 41 GLY CA C 41 46.167 46.992 -0.825 1
1 472 . 6 1 1 A 41 41 GLY N N 41 108.663 108.369 0.294 1
1 473 . 6 1 1 A 42 42 VAL H H 42 7.662 7.589 0.073 1
1 474 . 6 1 1 A 42 42 VAL HA H 42 3.182 3.705 -0.523 1
1 479 . 6 1 1 A 42 42 VAL C C 42 177.014 178.255 -1.241 1
1 480 . 6 1 1 A 42 42 VAL CA C 42 67.030 65.610 1.420 1
1 481 . 6 1 1 A 42 42 VAL CB C 42 30.616 31.436 -0.820 1
1 483 . 6 1 1 A 42 42 VAL N N 42 123.036 121.075 1.961 1
1 484 . 6 1 1 A 43 43 TRP H H 43 7.726 7.794 -0.068 1
1 485 . 6 1 1 A 43 43 TRP HA H 43 4.640 4.394 0.246 1
1 494 . 6 1 1 A 43 43 TRP C C 43 179.135 179.240 -0.105 1
1 495 . 6 1 1 A 43 43 TRP CA C 43 59.208 59.995 -0.787 1
1 496 . 6 1 1 A 43 43 TRP CB C 43 29.033 28.974 0.059 1
1 502 . 6 1 1 A 43 43 TRP N N 43 118.730 119.735 -1.005 1
1 504 . 6 1 1 A 44 44 THR H H 44 8.545 8.079 0.466 1
1 505 . 6 1 1 A 44 44 THR HA H 44 4.223 4.110 0.113 1
1 510 . 6 1 1 A 44 44 THR C C 44 177.189 176.427 0.762 1
1 511 . 6 1 1 A 44 44 THR CA C 44 66.351 67.143 -0.792 1
1 512 . 6 1 1 A 44 44 THR CB C 44 68.921 68.424 0.497 1
1 514 . 6 1 1 A 44 44 THR N N 44 115.228 116.966 -1.738 1
1 515 . 6 1 1 A 45 45 LEU H H 45 7.961 8.091 -0.130 1
1 516 . 6 1 1 A 45 45 LEU HA H 45 4.299 3.868 0.431 1
1 523 . 6 1 1 A 45 45 LEU C C 45 178.301 179.052 -0.751 1
1 524 . 6 1 1 A 45 45 LEU CA C 45 57.759 58.254 -0.495 1
1 525 . 6 1 1 A 45 45 LEU CB C 45 42.462 41.908 0.554 1
1 527 . 6 1 1 A 45 45 LEU N N 45 123.256 120.807 2.449 1
1 528 . 6 1 1 A 46 46 LYS H H 46 8.645 7.928 0.717 1
1 529 . 6 1 1 A 46 46 LYS HA H 46 3.850 3.998 -0.148 1
1 536 . 6 1 1 A 46 46 LYS C C 46 177.716 178.230 -0.514 1
1 537 . 6 1 1 A 46 46 LYS CA C 46 60.731 58.966 1.765 1
1 538 . 6 1 1 A 46 46 LYS CB C 46 30.700 32.195 -1.495 1
1 540 . 6 1 1 A 46 46 LYS N N 46 119.178 118.110 1.068 1
1 541 . 6 1 1 A 47 47 ASP H H 47 7.711 8.224 -0.513 1
1 542 . 6 1 1 A 47 47 ASP HA H 47 4.539 4.399 0.140 1
1 545 . 6 1 1 A 47 47 ASP C C 47 178.755 178.314 0.441 1
1 546 . 6 1 1 A 47 47 ASP CA C 47 57.095 57.638 -0.543 1
1 547 . 6 1 1 A 47 47 ASP CB C 47 40.138 41.746 -1.608 1
1 548 . 6 1 1 A 47 47 ASP N N 47 117.538 119.546 -2.008 1
1 549 . 6 1 1 A 48 48 GLU H H 48 7.951 9.004 -1.053 1
1 550 . 6 1 1 A 48 48 GLU HA H 48 3.989 4.029 -0.040 1
1 555 . 6 1 1 A 48 48 GLU C C 48 179.165 179.344 -0.179 1
1 556 . 6 1 1 A 48 48 GLU CA C 48 59.143 59.135 0.008 1
1 557 . 6 1 1 A 48 48 GLU CB C 48 29.783 29.361 0.422 1
1 559 . 6 1 1 A 48 48 GLU N N 48 121.677 118.645 3.032 1
1 560 . 6 1 1 A 49 49 ILE H H 49 8.602 7.355 1.247 1
1 561 . 6 1 1 A 49 49 ILE HA H 49 3.834 3.618 0.216 1
1 568 . 6 1 1 A 49 49 ILE C C 49 177.379 177.993 -0.614 1
1 569 . 6 1 1 A 49 49 ILE CA C 49 64.044 65.154 -1.110 1
1 570 . 6 1 1 A 49 49 ILE CB C 49 37.896 36.859 1.037 1
1 572 . 6 1 1 A 49 49 ILE N N 49 120.326 119.937 0.389 1
1 573 . 6 1 1 A 50 50 LYS H H 50 7.785 7.639 0.146 1
1 574 . 6 1 1 A 50 50 LYS HA H 50 4.057 4.033 0.024 1
1 583 . 6 1 1 A 50 50 LYS C C 50 177.848 179.418 -1.570 1
1 584 . 6 1 1 A 50 50 LYS CA C 50 59.629 59.147 0.482 1
1 585 . 6 1 1 A 50 50 LYS CB C 50 32.026 31.866 0.160 1
1 587 . 6 1 1 A 50 50 LYS N N 50 119.242 119.795 -0.553 1
1 588 . 6 1 1 A 51 51 THR H H 51 7.609 7.690 -0.081 1
1 589 . 6 1 1 A 51 51 THR HA H 51 4.344 4.151 0.193 1
1 594 . 6 1 1 A 51 51 THR C C 51 175.360 175.196 0.164 1
1 595 . 6 1 1 A 51 51 THR CA C 51 63.224 64.875 -1.651 1
1 596 . 6 1 1 A 51 51 THR CB C 51 69.781 69.027 0.754 1
1 598 . 6 1 1 A 51 51 THR N N 51 109.871 116.021 -6.150 1
1 599 . 6 1 1 A 52 52 PHE H H 52 7.645 7.629 0.016 1
1 600 . 6 1 1 A 52 52 PHE HA H 52 4.810 4.611 0.199 1
1 607 . 6 1 1 A 52 52 PHE C C 52 176.750 175.198 1.552 1
1 608 . 6 1 1 A 52 52 PHE CA C 52 56.960 58.435 -1.475 1
1 609 . 6 1 1 A 52 52 PHE CB C 52 37.622 38.813 -1.191 1
1 614 . 6 1 1 A 52 52 PHE N N 52 120.960 120.865 0.095 1
1 615 . 6 1 1 A 53 53 THR H H 53 8.124 8.105 0.019 1
1 616 . 6 1 1 A 53 53 THR HA H 53 4.472 4.337 0.135 1
1 621 . 6 1 1 A 53 53 THR C C 53 174.394 174.069 0.325 1
1 622 . 6 1 1 A 53 53 THR CA C 53 62.464 62.259 0.205 1
1 623 . 6 1 1 A 53 53 THR CB C 53 70.045 67.720 2.325 1
1 625 . 6 1 1 A 53 53 THR N N 53 113.896 113.372 0.524 1
1 626 . 6 1 1 A 54 54 VAL H H 54 8.114 8.797 -0.683 1
1 627 . 6 1 1 A 54 54 VAL HA H 54 4.346 4.472 -0.126 1
1 632 . 6 1 1 A 54 54 VAL C C 54 176.209 176.494 -0.285 1
1 633 . 6 1 1 A 54 54 VAL CA C 54 62.128 62.418 -0.290 1
1 634 . 6 1 1 A 54 54 VAL CB C 54 32.694 33.815 -1.121 1
1 636 . 6 1 1 A 54 54 VAL N N 54 122.467 120.190 2.277 1
1 637 . 6 1 1 A 55 55 THR H H 55 8.362 7.869 0.493 1
1 638 . 6 1 1 A 55 55 THR HA H 55 4.409 4.623 -0.214 1
1 643 . 6 1 1 A 55 55 THR C C 55 173.648 173.759 -0.111 1
1 644 . 6 1 1 A 55 55 THR CA C 55 61.875 61.078 0.797 1
1 645 . 6 1 1 A 55 55 THR CB C 55 69.860 69.786 0.074 1
1 647 . 6 1 1 A 55 55 THR N N 55 118.624 114.525 4.099 1
1 3 . 7 1 1 A 2 2 THR H H 2 8.109 7.547 0.562 1
1 4 . 7 1 1 A 2 2 THR HA H 2 4.400 5.179 -0.779 1
1 9 . 7 1 1 A 2 2 THR C C 2 173.933 172.557 1.376 1
1 10 . 7 1 1 A 2 2 THR CA C 2 61.842 59.102 2.740 1
1 11 . 7 1 1 A 2 2 THR CB C 2 69.793 71.968 -2.175 1
1 13 . 7 1 1 A 2 2 THR N N 2 128.532 111.156 17.376 1
1 14 . 7 1 1 A 3 3 TYR H H 3 8.424 8.998 -0.574 1
1 15 . 7 1 1 A 3 3 TYR HA H 3 4.434 5.220 -0.786 1
1 22 . 7 1 1 A 3 3 TYR C C 3 175.696 175.826 -0.130 1
1 23 . 7 1 1 A 3 3 TYR CA C 3 58.210 57.248 0.962 1
1 24 . 7 1 1 A 3 3 TYR CB C 3 38.473 41.190 -2.717 1
1 27 . 7 1 1 A 3 3 TYR N N 3 123.975 122.120 1.855 1
1 28 . 7 1 1 A 4 4 LYS H H 4 8.160 8.388 -0.228 1
1 29 . 7 1 1 A 4 4 LYS HA H 4 4.217 4.473 -0.256 1
1 36 . 7 1 1 A 4 4 LYS C C 4 175.989 176.037 -0.048 1
1 37 . 7 1 1 A 4 4 LYS CA C 4 56.657 55.996 0.661 1
1 38 . 7 1 1 A 4 4 LYS CB C 4 32.834 33.814 -0.980 1
1 42 . 7 1 1 A 4 4 LYS N N 4 122.591 123.068 -0.477 1
1 43 . 7 1 1 A 5 5 LEU H H 5 8.050 8.697 -0.647 1
1 44 . 7 1 1 A 5 5 LEU HA H 5 4.325 4.520 -0.195 1
1 50 . 7 1 1 A 5 5 LEU C C 5 177.233 175.311 1.922 1
1 51 . 7 1 1 A 5 5 LEU CA C 5 55.392 56.379 -0.987 1
1 52 . 7 1 1 A 5 5 LEU CB C 5 41.995 43.907 -1.912 1
1 56 . 7 1 1 A 5 5 LEU N N 5 122.335 121.094 1.241 1
1 57 . 7 1 1 A 6 6 ILE H H 6 8.136 7.950 0.186 1
1 58 . 7 1 1 A 6 6 ILE HA H 6 4.230 4.645 -0.415 1
1 68 . 7 1 1 A 6 6 ILE C C 6 176.253 175.084 1.169 1
1 69 . 7 1 1 A 6 6 ILE CA C 6 61.256 60.361 0.895 1
1 70 . 7 1 1 A 6 6 ILE CB C 6 38.070 40.233 -2.163 1
1 74 . 7 1 1 A 6 6 ILE N N 6 122.472 119.211 3.261 1
1 75 . 7 1 1 A 7 7 LEU H H 7 8.234 9.126 -0.892 1
1 76 . 7 1 1 A 7 7 LEU HA H 7 4.521 4.550 -0.029 1
1 82 . 7 1 1 A 7 7 LEU C C 7 177.087 176.755 0.332 1
1 83 . 7 1 1 A 7 7 LEU CA C 7 55.268 56.011 -0.743 1
1 84 . 7 1 1 A 7 7 LEU CB C 7 42.738 43.521 -0.783 1
1 87 . 7 1 1 A 7 7 LEU N N 7 125.667 128.910 -3.243 1
1 88 . 7 1 1 A 8 8 ASN H H 8 8.195 7.752 0.443 1
1 89 . 7 1 1 A 8 8 ASN HA H 8 4.801 4.973 -0.172 1
1 94 . 7 1 1 A 8 8 ASN C C 8 175.345 174.845 0.500 1
1 95 . 7 1 1 A 8 8 ASN CA C 8 52.541 53.368 -0.827 1
1 96 . 7 1 1 A 8 8 ASN CB C 8 38.782 40.750 -1.968 1
1 97 . 7 1 1 A 8 8 ASN N N 8 118.150 113.158 4.992 1
1 99 . 7 1 1 A 9 9 LEU H H 9 8.434 8.808 -0.374 1
1 100 . 7 1 1 A 9 9 LEU HA H 9 3.974 4.025 -0.051 1
1 109 . 7 1 1 A 9 9 LEU C C 9 177.160 178.558 -1.398 1
1 110 . 7 1 1 A 9 9 LEU CA C 9 58.418 56.939 1.479 1
1 111 . 7 1 1 A 9 9 LEU CB C 9 42.073 41.920 0.153 1
1 114 . 7 1 1 A 9 9 LEU N N 9 121.944 126.807 -4.863 1
1 115 . 7 1 1 A 10 10 LYS H H 10 8.115 8.205 -0.090 1
1 116 . 7 1 1 A 10 10 LYS HA H 10 3.964 3.901 0.063 1
1 121 . 7 1 1 A 10 10 LYS C C 10 178.535 178.971 -0.436 1
1 122 . 7 1 1 A 10 10 LYS CA C 10 60.121 60.293 -0.172 1
1 123 . 7 1 1 A 10 10 LYS CB C 10 32.108 32.044 0.064 1
1 126 . 7 1 1 A 10 10 LYS N N 10 118.923 118.579 0.344 1
1 127 . 7 1 1 A 11 11 GLN H H 11 7.647 8.284 -0.637 1
1 128 . 7 1 1 A 11 11 GLN HA H 11 4.198 4.147 0.051 1
1 135 . 7 1 1 A 11 11 GLN C C 11 179.267 177.993 1.274 1
1 136 . 7 1 1 A 11 11 GLN CA C 11 59.331 59.072 0.259 1
1 137 . 7 1 1 A 11 11 GLN CB C 11 29.621 28.984 0.637 1
1 139 . 7 1 1 A 11 11 GLN N N 11 117.482 119.128 -1.646 1
1 141 . 7 1 1 A 12 12 ALA H H 12 8.431 7.951 0.480 1
1 142 . 7 1 1 A 12 12 ALA HA H 12 4.200 2.910 1.290 1
1 146 . 7 1 1 A 12 12 ALA C C 12 179.809 178.867 0.942 1
1 147 . 7 1 1 A 12 12 ALA CA C 12 55.484 54.427 1.057 1
1 148 . 7 1 1 A 12 12 ALA CB C 12 18.673 17.515 1.158 1
1 149 . 7 1 1 A 12 12 ALA N N 12 122.387 121.506 0.881 1
1 150 . 7 1 1 A 13 13 LYS H H 13 8.361 8.790 -0.429 1
1 151 . 7 1 1 A 13 13 LYS HA H 13 3.671 3.819 -0.148 1
1 158 . 7 1 1 A 13 13 LYS C C 13 177.701 179.851 -2.150 1
1 159 . 7 1 1 A 13 13 LYS CA C 13 60.773 59.546 1.227 1
1 160 . 7 1 1 A 13 13 LYS CB C 13 33.191 32.318 0.873 1
1 163 . 7 1 1 A 13 13 LYS N N 13 116.790 117.256 -0.466 1
1 164 . 7 1 1 A 14 14 GLU H H 14 7.953 8.589 -0.636 1
1 165 . 7 1 1 A 14 14 GLU HA H 14 3.979 4.072 -0.093 1
1 170 . 7 1 1 A 14 14 GLU C C 14 178.067 179.649 -1.582 1
1 171 . 7 1 1 A 14 14 GLU CA C 14 59.824 59.137 0.687 1
1 172 . 7 1 1 A 14 14 GLU CB C 14 29.389 29.422 -0.033 1
1 174 . 7 1 1 A 14 14 GLU N N 14 116.988 119.138 -2.150 1
1 175 . 7 1 1 A 15 15 GLU H H 15 8.442 7.655 0.787 1
1 176 . 7 1 1 A 15 15 GLU HA H 15 4.053 4.160 -0.107 1
1 179 . 7 1 1 A 15 15 GLU C C 15 178.374 178.698 -0.324 1
1 180 . 7 1 1 A 15 15 GLU CA C 15 58.307 58.933 -0.626 1
1 181 . 7 1 1 A 15 15 GLU CB C 15 29.030 29.267 -0.237 1
1 183 . 7 1 1 A 15 15 GLU N N 15 115.659 119.897 -4.238 1
1 184 . 7 1 1 A 16 16 ALA H H 16 8.555 8.413 0.142 1
1 185 . 7 1 1 A 16 16 ALA HA H 16 4.199 4.076 0.123 1
1 189 . 7 1 1 A 16 16 ALA C C 16 179.399 179.966 -0.567 1
1 190 . 7 1 1 A 16 16 ALA CA C 16 55.233 55.217 0.016 1
1 191 . 7 1 1 A 16 16 ALA CB C 16 17.853 18.434 -0.581 1
1 192 . 7 1 1 A 16 16 ALA N N 16 122.104 122.052 0.052 1
1 193 . 7 1 1 A 17 17 ILE H H 17 8.719 7.744 0.975 1
1 194 . 7 1 1 A 17 17 ILE HA H 17 3.593 3.937 -0.344 1
1 201 . 7 1 1 A 17 17 ILE C C 17 177.131 177.655 -0.524 1
1 202 . 7 1 1 A 17 17 ILE CA C 17 66.796 64.215 2.581 1
1 203 . 7 1 1 A 17 17 ILE CB C 17 37.700 37.654 0.046 1
1 205 . 7 1 1 A 17 17 ILE N N 17 117.581 118.847 -1.266 1
1 206 . 7 1 1 A 18 18 LYS H H 18 7.795 8.010 -0.215 1
1 207 . 7 1 1 A 18 18 LYS HA H 18 4.025 4.032 -0.007 1
1 214 . 7 1 1 A 18 18 LYS C C 18 179.340 178.974 0.366 1
1 215 . 7 1 1 A 18 18 LYS CA C 18 59.829 59.197 0.632 1
1 216 . 7 1 1 A 18 18 LYS CB C 18 32.079 32.218 -0.139 1
1 220 . 7 1 1 A 18 18 LYS N N 18 119.291 120.205 -0.914 1
1 221 . 7 1 1 A 19 19 GLU H H 19 8.331 8.350 -0.019 1
1 222 . 7 1 1 A 19 19 GLU HA H 19 4.197 4.063 0.134 1
1 227 . 7 1 1 A 19 19 GLU C C 19 179.926 178.574 1.352 1
1 228 . 7 1 1 A 19 19 GLU CA C 19 58.483 59.154 -0.671 1
1 229 . 7 1 1 A 19 19 GLU CB C 19 28.508 29.623 -1.115 1
1 231 . 7 1 1 A 19 19 GLU N N 19 118.386 119.389 -1.003 1
1 232 . 7 1 1 A 20 20 LEU H H 20 8.270 7.851 0.419 1
1 233 . 7 1 1 A 20 20 LEU HA H 20 4.198 4.106 0.092 1
1 240 . 7 1 1 A 20 20 LEU C C 20 180.511 178.964 1.547 1
1 241 . 7 1 1 A 20 20 LEU CA C 20 57.429 58.046 -0.617 1
1 242 . 7 1 1 A 20 20 LEU CB C 20 40.978 41.692 -0.714 1
1 243 . 7 1 1 A 20 20 LEU N N 20 119.581 120.846 -1.265 1
1 244 . 7 1 1 A 21 21 VAL H H 21 9.479 8.544 0.935 1
1 245 . 7 1 1 A 21 21 VAL HA H 21 3.991 3.539 0.452 1
1 250 . 7 1 1 A 21 21 VAL C C 21 180.906 178.261 2.645 1
1 251 . 7 1 1 A 21 21 VAL CA C 21 66.562 67.025 -0.463 1
1 252 . 7 1 1 A 21 21 VAL CB C 21 31.435 31.336 0.099 1
1 254 . 7 1 1 A 21 21 VAL N N 21 125.030 119.366 5.664 1
1 255 . 7 1 1 A 22 22 ASP H H 22 8.401 8.921 -0.520 1
1 256 . 7 1 1 A 22 22 ASP HA H 22 4.541 4.414 0.127 1
1 259 . 7 1 1 A 22 22 ASP C C 22 177.204 177.007 0.197 1
1 260 . 7 1 1 A 22 22 ASP CA C 22 57.019 56.681 0.338 1
1 261 . 7 1 1 A 22 22 ASP CB C 22 39.983 40.908 -0.925 1
1 262 . 7 1 1 A 22 22 ASP N N 22 122.749 121.031 1.718 1
1 263 . 7 1 1 A 23 23 ALA H H 23 7.485 7.650 -0.165 1
1 264 . 7 1 1 A 23 23 ALA HA H 23 4.522 4.399 0.123 1
1 268 . 7 1 1 A 23 23 ALA C C 23 177.965 178.165 -0.200 1
1 269 . 7 1 1 A 23 23 ALA CA C 23 52.130 53.514 -1.384 1
1 270 . 7 1 1 A 23 23 ALA CB C 23 18.673 20.636 -1.963 1
1 271 . 7 1 1 A 23 23 ALA N N 23 119.207 119.531 -0.324 1
1 272 . 7 1 1 A 24 24 GLY H H 24 8.150 8.101 0.049 1
1 273 . 7 1 1 A 24 24 GLY HA2 H 24 4.183 3.976 0.207 1
1 274 . 7 1 1 A 24 24 GLY HA3 H 24 4.026 3.977 0.049 1
1 275 . 7 1 1 A 24 24 GLY C C 24 174.731 173.637 1.094 1
1 276 . 7 1 1 A 24 24 GLY CA C 24 45.916 46.316 -0.400 1
1 277 . 7 1 1 A 24 24 GLY N N 24 108.009 105.004 3.005 1
1 278 . 7 1 1 A 25 25 THR H H 25 7.786 7.761 0.025 1
1 279 . 7 1 1 A 25 25 THR HA H 25 4.151 4.863 -0.712 1
1 284 . 7 1 1 A 25 25 THR C C 25 173.194 173.133 0.061 1
1 285 . 7 1 1 A 25 25 THR CA C 25 63.840 59.373 4.467 1
1 286 . 7 1 1 A 25 25 THR CB C 25 69.255 71.428 -2.173 1
1 288 . 7 1 1 A 25 25 THR N N 25 117.202 114.474 2.728 1
1 289 . 7 1 1 A 26 26 ALA H H 26 8.978 8.404 0.574 1
1 290 . 7 1 1 A 26 26 ALA HA H 26 4.391 4.253 0.138 1
1 294 . 7 1 1 A 26 26 ALA C C 26 178.935 178.630 0.305 1
1 295 . 7 1 1 A 26 26 ALA CA C 26 53.038 52.252 0.786 1
1 296 . 7 1 1 A 26 26 ALA CB C 26 18.566 18.979 -0.413 1
1 297 . 7 1 1 A 26 26 ALA N N 26 128.127 126.911 1.216 1
1 298 . 7 1 1 A 27 27 GLU H H 27 8.803 8.451 0.352 1
1 299 . 7 1 1 A 27 27 GLU HA H 27 3.966 4.075 -0.109 1
1 304 . 7 1 1 A 27 27 GLU C C 27 179.999 178.416 1.583 1
1 305 . 7 1 1 A 27 27 GLU CA C 27 59.465 59.096 0.369 1
1 306 . 7 1 1 A 27 27 GLU CB C 27 29.211 28.901 0.310 1
1 308 . 7 1 1 A 27 27 GLU N N 27 123.075 124.867 -1.792 1
1 309 . 7 1 1 A 28 28 LYS H H 28 8.455 8.273 0.182 1
1 310 . 7 1 1 A 28 28 LYS HA H 28 4.048 4.022 0.026 1
1 315 . 7 1 1 A 28 28 LYS C C 28 177.394 179.369 -1.975 1
1 316 . 7 1 1 A 28 28 LYS CA C 28 58.951 58.975 -0.024 1
1 317 . 7 1 1 A 28 28 LYS CB C 28 29.504 32.217 -2.713 1
1 320 . 7 1 1 A 28 28 LYS N N 28 119.368 119.544 -0.176 1
1 321 . 7 1 1 A 29 29 TYR H H 29 7.349 8.159 -0.810 1
1 322 . 7 1 1 A 29 29 TYR HA H 29 4.768 4.268 0.500 1
1 329 . 7 1 1 A 29 29 TYR C C 29 177.496 177.972 -0.476 1
1 330 . 7 1 1 A 29 29 TYR CA C 29 58.599 61.189 -2.590 1
1 331 . 7 1 1 A 29 29 TYR CB C 29 38.229 38.678 -0.449 1
1 336 . 7 1 1 A 29 29 TYR N N 29 117.039 120.809 -3.770 1
1 337 . 7 1 1 A 30 30 ILE H H 30 7.535 8.365 -0.830 1
1 338 . 7 1 1 A 30 30 ILE HA H 30 3.638 3.815 -0.177 1
1 348 . 7 1 1 A 30 30 ILE C C 30 178.462 177.667 0.795 1
1 349 . 7 1 1 A 30 30 ILE CA C 30 65.156 63.434 1.722 1
1 350 . 7 1 1 A 30 30 ILE CB C 30 36.867 37.475 -0.608 1
1 353 . 7 1 1 A 30 30 ILE N N 30 120.828 120.049 0.779 1
1 354 . 7 1 1 A 31 31 LYS H H 31 7.862 7.875 -0.013 1
1 355 . 7 1 1 A 31 31 LYS HA H 31 4.053 4.118 -0.065 1
1 360 . 7 1 1 A 31 31 LYS C C 31 178.243 178.911 -0.668 1
1 361 . 7 1 1 A 31 31 LYS CA C 31 58.796 58.763 0.033 1
1 362 . 7 1 1 A 31 31 LYS CB C 31 31.723 31.827 -0.104 1
1 365 . 7 1 1 A 31 31 LYS N N 31 116.578 121.523 -4.945 1
1 366 . 7 1 1 A 32 32 LEU H H 32 7.353 8.049 -0.696 1
1 367 . 7 1 1 A 32 32 LEU HA H 32 4.128 4.091 0.037 1
1 373 . 7 1 1 A 32 32 LEU C C 32 180.028 179.364 0.664 1
1 374 . 7 1 1 A 32 32 LEU CA C 32 57.809 57.873 -0.064 1
1 375 . 7 1 1 A 32 32 LEU CB C 32 41.196 41.569 -0.373 1
1 378 . 7 1 1 A 32 32 LEU N N 32 117.030 120.209 -3.179 1
1 379 . 7 1 1 A 33 33 ILE H H 33 7.494 7.802 -0.308 1
1 380 . 7 1 1 A 33 33 ILE HA H 33 3.760 3.987 -0.227 1
1 387 . 7 1 1 A 33 33 ILE C C 33 178.477 177.850 0.627 1
1 388 . 7 1 1 A 33 33 ILE CA C 33 62.407 63.725 -1.318 1
1 389 . 7 1 1 A 33 33 ILE CB C 33 35.407 37.287 -1.880 1
1 391 . 7 1 1 A 33 33 ILE N N 33 118.141 115.144 2.997 1
1 392 . 7 1 1 A 34 34 ALA H H 34 7.777 7.488 0.289 1
1 393 . 7 1 1 A 34 34 ALA HA H 34 4.031 4.032 -0.001 1
1 397 . 7 1 1 A 34 34 ALA C C 34 178.857 178.400 0.457 1
1 398 . 7 1 1 A 34 34 ALA CA C 34 54.662 54.574 0.088 1
1 399 . 7 1 1 A 34 34 ALA CB C 34 18.492 18.689 -0.197 1
1 400 . 7 1 1 A 34 34 ALA N N 34 119.230 124.027 -4.797 1
1 401 . 7 1 1 A 35 35 ASN H H 35 7.418 7.770 -0.352 1
1 402 . 7 1 1 A 35 35 ASN HA H 35 4.863 4.819 0.044 1
1 407 . 7 1 1 A 35 35 ASN C C 35 175.345 175.598 -0.253 1
1 408 . 7 1 1 A 35 35 ASN CA C 35 52.686 52.997 -0.311 1
1 409 . 7 1 1 A 35 35 ASN CB C 35 39.075 39.162 -0.087 1
1 410 . 7 1 1 A 35 35 ASN N N 35 113.022 114.379 -1.357 1
1 412 . 7 1 1 A 36 36 ALA H H 36 7.529 8.042 -0.513 1
1 413 . 7 1 1 A 36 36 ALA HA H 36 4.329 4.020 0.309 1
1 417 . 7 1 1 A 36 36 ALA C C 36 177.862 178.116 -0.254 1
1 418 . 7 1 1 A 36 36 ALA CA C 36 53.389 55.043 -1.654 1
1 419 . 7 1 1 A 36 36 ALA CB C 36 19.141 18.956 0.185 1
1 420 . 7 1 1 A 36 36 ALA N N 36 124.061 122.473 1.588 1
1 421 . 7 1 1 A 37 37 LYS H H 37 8.891 7.829 1.062 1
1 422 . 7 1 1 A 37 37 LYS HA H 37 4.450 3.902 0.548 1
1 427 . 7 1 1 A 37 37 LYS C C 37 176.758 175.525 1.233 1
1 428 . 7 1 1 A 37 37 LYS CA C 37 56.476 58.822 -2.346 1
1 429 . 7 1 1 A 37 37 LYS CB C 37 34.789 30.826 3.963 1
1 433 . 7 1 1 A 37 37 LYS N N 37 117.071 114.408 2.663 1
1 434 . 7 1 1 A 38 38 THR H H 38 7.406 8.233 -0.827 1
1 435 . 7 1 1 A 38 38 THR HA H 38 4.704 4.351 0.353 1
1 440 . 7 1 1 A 38 38 THR C C 38 173.984 175.977 -1.993 1
1 441 . 7 1 1 A 38 38 THR CA C 38 58.248 62.070 -3.822 1
1 442 . 7 1 1 A 38 38 THR CB C 38 72.884 69.563 3.321 1
1 444 . 7 1 1 A 38 38 THR N N 38 106.340 111.075 -4.735 1
1 445 . 7 1 1 A 39 39 VAL H H 39 8.967 8.955 0.012 1
1 446 . 7 1 1 A 39 39 VAL HA H 39 3.208 3.651 -0.443 1
1 451 . 7 1 1 A 39 39 VAL C C 39 176.735 177.881 -1.146 1
1 452 . 7 1 1 A 39 39 VAL CA C 39 67.315 65.682 1.633 1
1 453 . 7 1 1 A 39 39 VAL CB C 39 30.909 31.741 -0.832 1
1 455 . 7 1 1 A 39 39 VAL N N 39 122.904 123.149 -0.245 1
1 456 . 7 1 1 A 40 40 GLU H H 40 8.900 8.414 0.486 1
1 457 . 7 1 1 A 40 40 GLU HA H 40 4.076 4.231 -0.155 1
1 462 . 7 1 1 A 40 40 GLU C C 40 179.355 179.513 -0.158 1
1 463 . 7 1 1 A 40 40 GLU CA C 40 60.061 59.623 0.438 1
1 464 . 7 1 1 A 40 40 GLU CB C 40 28.401 29.257 -0.856 1
1 466 . 7 1 1 A 40 40 GLU N N 40 118.190 122.509 -4.319 1
1 467 . 7 1 1 A 41 41 GLY H H 41 8.199 8.437 -0.238 1
1 468 . 7 1 1 A 41 41 GLY HA2 H 41 4.039 3.847 0.192 1
1 469 . 7 1 1 A 41 41 GLY HA3 H 41 3.919 3.865 0.054 1
1 470 . 7 1 1 A 41 41 GLY C C 41 176.267 176.567 -0.300 1
1 471 . 7 1 1 A 41 41 GLY CA C 41 46.167 46.886 -0.719 1
1 472 . 7 1 1 A 41 41 GLY N N 41 108.663 108.284 0.379 1
1 473 . 7 1 1 A 42 42 VAL H H 42 7.662 7.576 0.086 1
1 474 . 7 1 1 A 42 42 VAL HA H 42 3.182 3.697 -0.515 1
1 479 . 7 1 1 A 42 42 VAL C C 42 177.014 178.297 -1.283 1
1 480 . 7 1 1 A 42 42 VAL CA C 42 67.030 65.619 1.411 1
1 481 . 7 1 1 A 42 42 VAL CB C 42 30.616 31.341 -0.725 1
1 483 . 7 1 1 A 42 42 VAL N N 42 123.036 121.048 1.988 1
1 484 . 7 1 1 A 43 43 TRP H H 43 7.726 7.697 0.029 1
1 485 . 7 1 1 A 43 43 TRP HA H 43 4.640 4.405 0.235 1
1 494 . 7 1 1 A 43 43 TRP C C 43 179.135 179.243 -0.108 1
1 495 . 7 1 1 A 43 43 TRP CA C 43 59.208 59.966 -0.758 1
1 496 . 7 1 1 A 43 43 TRP CB C 43 29.033 28.981 0.052 1
1 502 . 7 1 1 A 43 43 TRP N N 43 118.730 119.781 -1.051 1
1 504 . 7 1 1 A 44 44 THR H H 44 8.545 8.006 0.539 1
1 505 . 7 1 1 A 44 44 THR HA H 44 4.223 4.179 0.044 1
1 510 . 7 1 1 A 44 44 THR C C 44 177.189 176.425 0.764 1
1 511 . 7 1 1 A 44 44 THR CA C 44 66.351 67.140 -0.789 1
1 512 . 7 1 1 A 44 44 THR CB C 44 68.921 68.437 0.484 1
1 514 . 7 1 1 A 44 44 THR N N 44 115.228 116.912 -1.684 1
1 515 . 7 1 1 A 45 45 LEU H H 45 7.961 8.107 -0.146 1
1 516 . 7 1 1 A 45 45 LEU HA H 45 4.299 3.872 0.427 1
1 523 . 7 1 1 A 45 45 LEU C C 45 178.301 179.289 -0.988 1
1 524 . 7 1 1 A 45 45 LEU CA C 45 57.759 58.346 -0.587 1
1 525 . 7 1 1 A 45 45 LEU CB C 45 42.462 41.821 0.641 1
1 527 . 7 1 1 A 45 45 LEU N N 45 123.256 120.855 2.401 1
1 528 . 7 1 1 A 46 46 LYS H H 46 8.645 7.807 0.838 1
1 529 . 7 1 1 A 46 46 LYS HA H 46 3.850 4.041 -0.191 1
1 536 . 7 1 1 A 46 46 LYS C C 46 177.716 178.512 -0.796 1
1 537 . 7 1 1 A 46 46 LYS CA C 46 60.731 59.002 1.729 1
1 538 . 7 1 1 A 46 46 LYS CB C 46 30.700 32.309 -1.609 1
1 540 . 7 1 1 A 46 46 LYS N N 46 119.178 118.141 1.037 1
1 541 . 7 1 1 A 47 47 ASP H H 47 7.711 8.258 -0.547 1
1 542 . 7 1 1 A 47 47 ASP HA H 47 4.539 4.436 0.103 1
1 545 . 7 1 1 A 47 47 ASP C C 47 178.755 178.707 0.048 1
1 546 . 7 1 1 A 47 47 ASP CA C 47 57.095 56.786 0.309 1
1 547 . 7 1 1 A 47 47 ASP CB C 47 40.138 41.292 -1.154 1
1 548 . 7 1 1 A 47 47 ASP N N 47 117.538 119.827 -2.289 1
1 549 . 7 1 1 A 48 48 GLU H H 48 7.951 8.491 -0.540 1
1 550 . 7 1 1 A 48 48 GLU HA H 48 3.989 4.203 -0.214 1
1 555 . 7 1 1 A 48 48 GLU C C 48 179.165 179.211 -0.046 1
1 556 . 7 1 1 A 48 48 GLU CA C 48 59.143 58.783 0.360 1
1 557 . 7 1 1 A 48 48 GLU CB C 48 29.783 29.561 0.222 1
1 559 . 7 1 1 A 48 48 GLU N N 48 121.677 118.758 2.919 1
1 560 . 7 1 1 A 49 49 ILE H H 49 8.602 7.625 0.977 1
1 561 . 7 1 1 A 49 49 ILE HA H 49 3.834 3.742 0.092 1
1 568 . 7 1 1 A 49 49 ILE C C 49 177.379 177.910 -0.531 1
1 569 . 7 1 1 A 49 49 ILE CA C 49 64.044 65.147 -1.103 1
1 570 . 7 1 1 A 49 49 ILE CB C 49 37.896 36.916 0.980 1
1 572 . 7 1 1 A 49 49 ILE N N 49 120.326 120.348 -0.022 1
1 573 . 7 1 1 A 50 50 LYS H H 50 7.785 7.656 0.129 1
1 574 . 7 1 1 A 50 50 LYS HA H 50 4.057 4.030 0.027 1
1 583 . 7 1 1 A 50 50 LYS C C 50 177.848 179.595 -1.747 1
1 584 . 7 1 1 A 50 50 LYS CA C 50 59.629 59.064 0.565 1
1 585 . 7 1 1 A 50 50 LYS CB C 50 32.026 31.843 0.183 1
1 587 . 7 1 1 A 50 50 LYS N N 50 119.242 119.500 -0.258 1
1 588 . 7 1 1 A 51 51 THR H H 51 7.609 7.335 0.274 1
1 589 . 7 1 1 A 51 51 THR HA H 51 4.344 4.135 0.209 1
1 594 . 7 1 1 A 51 51 THR C C 51 175.360 174.917 0.443 1
1 595 . 7 1 1 A 51 51 THR CA C 51 63.224 65.900 -2.676 1
1 596 . 7 1 1 A 51 51 THR CB C 51 69.781 69.344 0.437 1
1 598 . 7 1 1 A 51 51 THR N N 51 109.871 114.740 -4.869 1
1 599 . 7 1 1 A 52 52 PHE H H 52 7.645 7.920 -0.275 1
1 600 . 7 1 1 A 52 52 PHE HA H 52 4.810 4.744 0.066 1
1 607 . 7 1 1 A 52 52 PHE C C 52 176.750 174.075 2.675 1
1 608 . 7 1 1 A 52 52 PHE CA C 52 56.960 56.528 0.432 1
1 609 . 7 1 1 A 52 52 PHE CB C 52 37.622 40.435 -2.813 1
1 614 . 7 1 1 A 52 52 PHE N N 52 120.960 115.841 5.119 1
1 615 . 7 1 1 A 53 53 THR H H 53 8.124 8.270 -0.146 1
1 616 . 7 1 1 A 53 53 THR HA H 53 4.472 4.136 0.336 1
1 621 . 7 1 1 A 53 53 THR C C 53 174.394 173.644 0.750 1
1 622 . 7 1 1 A 53 53 THR CA C 53 62.464 61.884 0.580 1
1 623 . 7 1 1 A 53 53 THR CB C 53 70.045 69.716 0.329 1
1 625 . 7 1 1 A 53 53 THR N N 53 113.896 108.522 5.374 1
1 626 . 7 1 1 A 54 54 VAL H H 54 8.114 7.725 0.389 1
1 627 . 7 1 1 A 54 54 VAL HA H 54 4.346 4.387 -0.041 1
1 632 . 7 1 1 A 54 54 VAL C C 54 176.209 176.107 0.102 1
1 633 . 7 1 1 A 54 54 VAL CA C 54 62.128 60.154 1.974 1
1 634 . 7 1 1 A 54 54 VAL CB C 54 32.694 33.452 -0.758 1
1 636 . 7 1 1 A 54 54 VAL N N 54 122.467 119.570 2.897 1
1 637 . 7 1 1 A 55 55 THR H H 55 8.362 8.576 -0.214 1
1 638 . 7 1 1 A 55 55 THR HA H 55 4.409 4.788 -0.379 1
1 643 . 7 1 1 A 55 55 THR C C 55 173.648 174.288 -0.640 1
1 644 . 7 1 1 A 55 55 THR CA C 55 61.875 61.161 0.714 1
1 645 . 7 1 1 A 55 55 THR CB C 55 69.860 68.653 1.207 1
1 647 . 7 1 1 A 55 55 THR N N 55 118.624 118.892 -0.268 1
1 3 . 8 1 1 A 2 2 THR H H 2 8.109 7.815 0.294 1
1 4 . 8 1 1 A 2 2 THR HA H 2 4.400 4.704 -0.304 1
1 9 . 8 1 1 A 2 2 THR C C 2 173.933 174.201 -0.268 1
1 10 . 8 1 1 A 2 2 THR CA C 2 61.842 59.596 2.246 1
1 11 . 8 1 1 A 2 2 THR CB C 2 69.793 71.024 -1.231 1
1 13 . 8 1 1 A 2 2 THR N N 2 128.532 113.102 15.430 1
1 14 . 8 1 1 A 3 3 TYR H H 3 8.424 8.998 -0.574 1
1 15 . 8 1 1 A 3 3 TYR HA H 3 4.434 4.630 -0.196 1
1 22 . 8 1 1 A 3 3 TYR C C 3 175.696 175.456 0.240 1
1 23 . 8 1 1 A 3 3 TYR CA C 3 58.210 60.225 -2.015 1
1 24 . 8 1 1 A 3 3 TYR CB C 3 38.473 39.936 -1.463 1
1 27 . 8 1 1 A 3 3 TYR N N 3 123.975 122.111 1.864 1
1 28 . 8 1 1 A 4 4 LYS H H 4 8.160 7.770 0.390 1
1 29 . 8 1 1 A 4 4 LYS HA H 4 4.217 4.827 -0.610 1
1 36 . 8 1 1 A 4 4 LYS C C 4 175.989 175.267 0.722 1
1 37 . 8 1 1 A 4 4 LYS CA C 4 56.657 54.918 1.739 1
1 38 . 8 1 1 A 4 4 LYS CB C 4 32.834 34.621 -1.787 1
1 42 . 8 1 1 A 4 4 LYS N N 4 122.591 117.715 4.876 1
1 43 . 8 1 1 A 5 5 LEU H H 5 8.050 8.702 -0.652 1
1 44 . 8 1 1 A 5 5 LEU HA H 5 4.325 4.711 -0.386 1
1 50 . 8 1 1 A 5 5 LEU C C 5 177.233 174.378 2.855 1
1 51 . 8 1 1 A 5 5 LEU CA C 5 55.392 54.750 0.642 1
1 52 . 8 1 1 A 5 5 LEU CB C 5 41.995 45.177 -3.182 1
1 56 . 8 1 1 A 5 5 LEU N N 5 122.335 120.780 1.555 1
1 57 . 8 1 1 A 6 6 ILE H H 6 8.136 9.001 -0.865 1
1 58 . 8 1 1 A 6 6 ILE HA H 6 4.230 4.499 -0.269 1
1 68 . 8 1 1 A 6 6 ILE C C 6 176.253 175.239 1.014 1
1 69 . 8 1 1 A 6 6 ILE CA C 6 61.256 60.347 0.909 1
1 70 . 8 1 1 A 6 6 ILE CB C 6 38.070 38.667 -0.597 1
1 74 . 8 1 1 A 6 6 ILE N N 6 122.472 128.113 -5.641 1
1 75 . 8 1 1 A 7 7 LEU H H 7 8.234 9.013 -0.779 1
1 76 . 8 1 1 A 7 7 LEU HA H 7 4.521 4.489 0.032 1
1 82 . 8 1 1 A 7 7 LEU C C 7 177.087 177.504 -0.417 1
1 83 . 8 1 1 A 7 7 LEU CA C 7 55.268 56.130 -0.862 1
1 84 . 8 1 1 A 7 7 LEU CB C 7 42.738 43.437 -0.699 1
1 87 . 8 1 1 A 7 7 LEU N N 7 125.667 127.187 -1.520 1
1 88 . 8 1 1 A 8 8 ASN H H 8 8.195 8.138 0.057 1
1 89 . 8 1 1 A 8 8 ASN HA H 8 4.801 5.029 -0.228 1
1 94 . 8 1 1 A 8 8 ASN C C 8 175.345 176.116 -0.771 1
1 95 . 8 1 1 A 8 8 ASN CA C 8 52.541 53.933 -1.392 1
1 96 . 8 1 1 A 8 8 ASN CB C 8 38.782 41.540 -2.758 1
1 97 . 8 1 1 A 8 8 ASN N N 8 118.150 114.387 3.763 1
1 99 . 8 1 1 A 9 9 LEU H H 9 8.434 8.172 0.262 1
1 100 . 8 1 1 A 9 9 LEU HA H 9 3.974 4.256 -0.282 1
1 109 . 8 1 1 A 9 9 LEU C C 9 177.160 179.074 -1.914 1
1 110 . 8 1 1 A 9 9 LEU CA C 9 58.418 56.849 1.569 1
1 111 . 8 1 1 A 9 9 LEU CB C 9 42.073 41.910 0.163 1
1 114 . 8 1 1 A 9 9 LEU N N 9 121.944 119.308 2.636 1
1 115 . 8 1 1 A 10 10 LYS H H 10 8.115 8.349 -0.234 1
1 116 . 8 1 1 A 10 10 LYS HA H 10 3.964 3.904 0.060 1
1 121 . 8 1 1 A 10 10 LYS C C 10 178.535 178.819 -0.284 1
1 122 . 8 1 1 A 10 10 LYS CA C 10 60.121 59.977 0.144 1
1 123 . 8 1 1 A 10 10 LYS CB C 10 32.108 32.193 -0.085 1
1 126 . 8 1 1 A 10 10 LYS N N 10 118.923 119.565 -0.642 1
1 127 . 8 1 1 A 11 11 GLN H H 11 7.647 8.185 -0.538 1
1 128 . 8 1 1 A 11 11 GLN HA H 11 4.198 4.107 0.091 1
1 135 . 8 1 1 A 11 11 GLN C C 11 179.267 177.989 1.278 1
1 136 . 8 1 1 A 11 11 GLN CA C 11 59.331 58.860 0.471 1
1 137 . 8 1 1 A 11 11 GLN CB C 11 29.621 28.970 0.651 1
1 139 . 8 1 1 A 11 11 GLN N N 11 117.482 118.875 -1.393 1
1 141 . 8 1 1 A 12 12 ALA H H 12 8.431 8.152 0.279 1
1 142 . 8 1 1 A 12 12 ALA HA H 12 4.200 2.962 1.238 1
1 146 . 8 1 1 A 12 12 ALA C C 12 179.809 179.191 0.618 1
1 147 . 8 1 1 A 12 12 ALA CA C 12 55.484 54.551 0.933 1
1 148 . 8 1 1 A 12 12 ALA CB C 12 18.673 17.790 0.883 1
1 149 . 8 1 1 A 12 12 ALA N N 12 122.387 121.872 0.515 1
1 150 . 8 1 1 A 13 13 LYS H H 13 8.361 8.815 -0.454 1
1 151 . 8 1 1 A 13 13 LYS HA H 13 3.671 3.804 -0.133 1
1 158 . 8 1 1 A 13 13 LYS C C 13 177.701 178.792 -1.091 1
1 159 . 8 1 1 A 13 13 LYS CA C 13 60.773 59.804 0.969 1
1 160 . 8 1 1 A 13 13 LYS CB C 13 33.191 32.568 0.623 1
1 163 . 8 1 1 A 13 13 LYS N N 13 116.790 118.334 -1.544 1
1 164 . 8 1 1 A 14 14 GLU H H 14 7.953 8.332 -0.379 1
1 165 . 8 1 1 A 14 14 GLU HA H 14 3.979 4.009 -0.030 1
1 170 . 8 1 1 A 14 14 GLU C C 14 178.067 179.215 -1.148 1
1 171 . 8 1 1 A 14 14 GLU CA C 14 59.824 59.239 0.585 1
1 172 . 8 1 1 A 14 14 GLU CB C 14 29.389 29.249 0.140 1
1 174 . 8 1 1 A 14 14 GLU N N 14 116.988 118.425 -1.437 1
1 175 . 8 1 1 A 15 15 GLU H H 15 8.442 7.627 0.815 1
1 176 . 8 1 1 A 15 15 GLU HA H 15 4.053 3.984 0.069 1
1 179 . 8 1 1 A 15 15 GLU C C 15 178.374 178.881 -0.507 1
1 180 . 8 1 1 A 15 15 GLU CA C 15 58.307 58.843 -0.536 1
1 181 . 8 1 1 A 15 15 GLU CB C 15 29.030 28.424 0.606 1
1 183 . 8 1 1 A 15 15 GLU N N 15 115.659 120.704 -5.045 1
1 184 . 8 1 1 A 16 16 ALA H H 16 8.555 8.162 0.393 1
1 185 . 8 1 1 A 16 16 ALA HA H 16 4.199 3.929 0.270 1
1 189 . 8 1 1 A 16 16 ALA C C 16 179.399 179.674 -0.275 1
1 190 . 8 1 1 A 16 16 ALA CA C 16 55.233 54.859 0.374 1
1 191 . 8 1 1 A 16 16 ALA CB C 16 17.853 18.379 -0.526 1
1 192 . 8 1 1 A 16 16 ALA N N 16 122.104 122.753 -0.649 1
1 193 . 8 1 1 A 17 17 ILE H H 17 8.719 7.735 0.984 1
1 194 . 8 1 1 A 17 17 ILE HA H 17 3.593 3.931 -0.338 1
1 201 . 8 1 1 A 17 17 ILE C C 17 177.131 177.576 -0.445 1
1 202 . 8 1 1 A 17 17 ILE CA C 17 66.796 64.052 2.744 1
1 203 . 8 1 1 A 17 17 ILE CB C 17 37.700 37.669 0.031 1
1 205 . 8 1 1 A 17 17 ILE N N 17 117.581 119.267 -1.686 1
1 206 . 8 1 1 A 18 18 LYS H H 18 7.795 7.980 -0.185 1
1 207 . 8 1 1 A 18 18 LYS HA H 18 4.025 4.035 -0.010 1
1 214 . 8 1 1 A 18 18 LYS C C 18 179.340 178.617 0.723 1
1 215 . 8 1 1 A 18 18 LYS CA C 18 59.829 59.097 0.732 1
1 216 . 8 1 1 A 18 18 LYS CB C 18 32.079 32.256 -0.177 1
1 220 . 8 1 1 A 18 18 LYS N N 18 119.291 120.143 -0.852 1
1 221 . 8 1 1 A 19 19 GLU H H 19 8.331 7.813 0.518 1
1 222 . 8 1 1 A 19 19 GLU HA H 19 4.197 4.036 0.161 1
1 227 . 8 1 1 A 19 19 GLU C C 19 179.926 179.650 0.276 1
1 228 . 8 1 1 A 19 19 GLU CA C 19 58.483 58.879 -0.396 1
1 229 . 8 1 1 A 19 19 GLU CB C 19 28.508 29.555 -1.047 1
1 231 . 8 1 1 A 19 19 GLU N N 19 118.386 119.563 -1.177 1
1 232 . 8 1 1 A 20 20 LEU H H 20 8.270 7.549 0.721 1
1 233 . 8 1 1 A 20 20 LEU HA H 20 4.198 4.043 0.155 1
1 240 . 8 1 1 A 20 20 LEU C C 20 180.511 178.889 1.622 1
1 241 . 8 1 1 A 20 20 LEU CA C 20 57.429 57.931 -0.502 1
1 242 . 8 1 1 A 20 20 LEU CB C 20 40.978 41.672 -0.694 1
1 243 . 8 1 1 A 20 20 LEU N N 20 119.581 120.994 -1.413 1
1 244 . 8 1 1 A 21 21 VAL H H 21 9.479 8.759 0.720 1
1 245 . 8 1 1 A 21 21 VAL HA H 21 3.991 3.520 0.471 1
1 250 . 8 1 1 A 21 21 VAL C C 21 180.906 178.367 2.539 1
1 251 . 8 1 1 A 21 21 VAL CA C 21 66.562 67.138 -0.576 1
1 252 . 8 1 1 A 21 21 VAL CB C 21 31.435 31.360 0.075 1
1 254 . 8 1 1 A 21 21 VAL N N 21 125.030 119.624 5.406 1
1 255 . 8 1 1 A 22 22 ASP H H 22 8.401 8.583 -0.182 1
1 256 . 8 1 1 A 22 22 ASP HA H 22 4.541 4.489 0.052 1
1 259 . 8 1 1 A 22 22 ASP C C 22 177.204 176.250 0.954 1
1 260 . 8 1 1 A 22 22 ASP CA C 22 57.019 56.383 0.636 1
1 261 . 8 1 1 A 22 22 ASP CB C 22 39.983 41.142 -1.159 1
1 262 . 8 1 1 A 22 22 ASP N N 22 122.749 121.625 1.124 1
1 263 . 8 1 1 A 23 23 ALA H H 23 7.485 7.771 -0.286 1
1 264 . 8 1 1 A 23 23 ALA HA H 23 4.522 4.639 -0.117 1
1 268 . 8 1 1 A 23 23 ALA C C 23 177.965 177.345 0.620 1
1 269 . 8 1 1 A 23 23 ALA CA C 23 52.130 52.949 -0.819 1
1 270 . 8 1 1 A 23 23 ALA CB C 23 18.673 20.633 -1.960 1
1 271 . 8 1 1 A 23 23 ALA N N 23 119.207 120.199 -0.992 1
1 272 . 8 1 1 A 24 24 GLY H H 24 8.150 7.607 0.543 1
1 273 . 8 1 1 A 24 24 GLY HA2 H 24 4.183 4.054 0.129 1
1 274 . 8 1 1 A 24 24 GLY HA3 H 24 4.026 4.055 -0.029 1
1 275 . 8 1 1 A 24 24 GLY C C 24 174.731 174.364 0.367 1
1 276 . 8 1 1 A 24 24 GLY CA C 24 45.916 45.559 0.357 1
1 277 . 8 1 1 A 24 24 GLY N N 24 108.009 103.312 4.697 1
1 278 . 8 1 1 A 25 25 THR H H 25 7.786 8.300 -0.514 1
1 279 . 8 1 1 A 25 25 THR HA H 25 4.151 4.305 -0.154 1
1 284 . 8 1 1 A 25 25 THR C C 25 173.194 173.449 -0.255 1
1 285 . 8 1 1 A 25 25 THR CA C 25 63.840 63.345 0.495 1
1 286 . 8 1 1 A 25 25 THR CB C 25 69.255 68.659 0.596 1
1 288 . 8 1 1 A 25 25 THR N N 25 117.202 115.258 1.944 1
1 289 . 8 1 1 A 26 26 ALA H H 26 8.978 8.391 0.587 1
1 290 . 8 1 1 A 26 26 ALA HA H 26 4.391 4.303 0.088 1
1 294 . 8 1 1 A 26 26 ALA C C 26 178.935 177.876 1.059 1
1 295 . 8 1 1 A 26 26 ALA CA C 26 53.038 51.371 1.667 1
1 296 . 8 1 1 A 26 26 ALA CB C 26 18.566 18.378 0.188 1
1 297 . 8 1 1 A 26 26 ALA N N 26 128.127 127.249 0.878 1
1 298 . 8 1 1 A 27 27 GLU H H 27 8.803 8.285 0.518 1
1 299 . 8 1 1 A 27 27 GLU HA H 27 3.966 4.117 -0.151 1
1 304 . 8 1 1 A 27 27 GLU C C 27 179.999 178.595 1.404 1
1 305 . 8 1 1 A 27 27 GLU CA C 27 59.465 59.310 0.155 1
1 306 . 8 1 1 A 27 27 GLU CB C 27 29.211 29.284 -0.073 1
1 308 . 8 1 1 A 27 27 GLU N N 27 123.075 124.419 -1.344 1
1 309 . 8 1 1 A 28 28 LYS H H 28 8.455 8.252 0.203 1
1 310 . 8 1 1 A 28 28 LYS HA H 28 4.048 4.060 -0.012 1
1 315 . 8 1 1 A 28 28 LYS C C 28 177.394 178.851 -1.457 1
1 316 . 8 1 1 A 28 28 LYS CA C 28 58.951 58.901 0.050 1
1 317 . 8 1 1 A 28 28 LYS CB C 28 29.504 32.321 -2.817 1
1 320 . 8 1 1 A 28 28 LYS N N 28 119.368 120.559 -1.191 1
1 321 . 8 1 1 A 29 29 TYR H H 29 7.349 8.337 -0.988 1
1 322 . 8 1 1 A 29 29 TYR HA H 29 4.768 4.171 0.597 1
1 329 . 8 1 1 A 29 29 TYR C C 29 177.496 177.755 -0.259 1
1 330 . 8 1 1 A 29 29 TYR CA C 29 58.599 61.020 -2.421 1
1 331 . 8 1 1 A 29 29 TYR CB C 29 38.229 38.888 -0.659 1
1 336 . 8 1 1 A 29 29 TYR N N 29 117.039 120.392 -3.353 1
1 337 . 8 1 1 A 30 30 ILE H H 30 7.535 8.593 -1.058 1
1 338 . 8 1 1 A 30 30 ILE HA H 30 3.638 3.734 -0.096 1
1 348 . 8 1 1 A 30 30 ILE C C 30 178.462 178.498 -0.036 1
1 349 . 8 1 1 A 30 30 ILE CA C 30 65.156 64.832 0.324 1
1 350 . 8 1 1 A 30 30 ILE CB C 30 36.867 37.516 -0.649 1
1 353 . 8 1 1 A 30 30 ILE N N 30 120.828 120.380 0.448 1
1 354 . 8 1 1 A 31 31 LYS H H 31 7.862 7.686 0.176 1
1 355 . 8 1 1 A 31 31 LYS HA H 31 4.053 4.095 -0.042 1
1 360 . 8 1 1 A 31 31 LYS C C 31 178.243 178.554 -0.311 1
1 361 . 8 1 1 A 31 31 LYS CA C 31 58.796 58.873 -0.077 1
1 362 . 8 1 1 A 31 31 LYS CB C 31 31.723 31.860 -0.137 1
1 365 . 8 1 1 A 31 31 LYS N N 31 116.578 121.913 -5.335 1
1 366 . 8 1 1 A 32 32 LEU H H 32 7.353 7.761 -0.408 1
1 367 . 8 1 1 A 32 32 LEU HA H 32 4.128 4.133 -0.005 1
1 373 . 8 1 1 A 32 32 LEU C C 32 180.028 178.662 1.366 1
1 374 . 8 1 1 A 32 32 LEU CA C 32 57.809 57.212 0.597 1
1 375 . 8 1 1 A 32 32 LEU CB C 32 41.196 42.012 -0.816 1
1 378 . 8 1 1 A 32 32 LEU N N 32 117.030 120.304 -3.274 1
1 379 . 8 1 1 A 33 33 ILE H H 33 7.494 8.038 -0.544 1
1 380 . 8 1 1 A 33 33 ILE HA H 33 3.760 3.982 -0.222 1
1 387 . 8 1 1 A 33 33 ILE C C 33 178.477 177.881 0.596 1
1 388 . 8 1 1 A 33 33 ILE CA C 33 62.407 63.772 -1.365 1
1 389 . 8 1 1 A 33 33 ILE CB C 33 35.407 37.302 -1.895 1
1 391 . 8 1 1 A 33 33 ILE N N 33 118.141 115.199 2.942 1
1 392 . 8 1 1 A 34 34 ALA H H 34 7.777 7.637 0.140 1
1 393 . 8 1 1 A 34 34 ALA HA H 34 4.031 4.040 -0.009 1
1 397 . 8 1 1 A 34 34 ALA C C 34 178.857 178.680 0.177 1
1 398 . 8 1 1 A 34 34 ALA CA C 34 54.662 54.599 0.063 1
1 399 . 8 1 1 A 34 34 ALA CB C 34 18.492 18.613 -0.121 1
1 400 . 8 1 1 A 34 34 ALA N N 34 119.230 123.982 -4.752 1
1 401 . 8 1 1 A 35 35 ASN H H 35 7.418 7.382 0.036 1
1 402 . 8 1 1 A 35 35 ASN HA H 35 4.863 4.775 0.088 1
1 407 . 8 1 1 A 35 35 ASN C C 35 175.345 175.431 -0.086 1
1 408 . 8 1 1 A 35 35 ASN CA C 35 52.686 53.208 -0.522 1
1 409 . 8 1 1 A 35 35 ASN CB C 35 39.075 39.504 -0.429 1
1 410 . 8 1 1 A 35 35 ASN N N 35 113.022 114.451 -1.429 1
1 412 . 8 1 1 A 36 36 ALA H H 36 7.529 7.905 -0.376 1
1 413 . 8 1 1 A 36 36 ALA HA H 36 4.329 4.080 0.249 1
1 417 . 8 1 1 A 36 36 ALA C C 36 177.862 176.844 1.018 1
1 418 . 8 1 1 A 36 36 ALA CA C 36 53.389 53.322 0.067 1
1 419 . 8 1 1 A 36 36 ALA CB C 36 19.141 19.203 -0.062 1
1 420 . 8 1 1 A 36 36 ALA N N 36 124.061 122.933 1.128 1
1 421 . 8 1 1 A 37 37 LYS H H 37 8.891 8.945 -0.054 1
1 422 . 8 1 1 A 37 37 LYS HA H 37 4.450 4.432 0.018 1
1 427 . 8 1 1 A 37 37 LYS C C 37 176.758 176.305 0.453 1
1 428 . 8 1 1 A 37 37 LYS CA C 37 56.476 57.468 -0.992 1
1 429 . 8 1 1 A 37 37 LYS CB C 37 34.789 33.764 1.025 1
1 433 . 8 1 1 A 37 37 LYS N N 37 117.071 124.398 -7.327 1
1 434 . 8 1 1 A 38 38 THR H H 38 7.406 7.853 -0.447 1
1 435 . 8 1 1 A 38 38 THR HA H 38 4.704 4.607 0.097 1
1 440 . 8 1 1 A 38 38 THR C C 38 173.984 175.510 -1.526 1
1 441 . 8 1 1 A 38 38 THR CA C 38 58.248 59.977 -1.729 1
1 442 . 8 1 1 A 38 38 THR CB C 38 72.884 70.669 2.215 1
1 444 . 8 1 1 A 38 38 THR N N 38 106.340 109.003 -2.663 1
1 445 . 8 1 1 A 39 39 VAL H H 39 8.967 9.044 -0.077 1
1 446 . 8 1 1 A 39 39 VAL HA H 39 3.208 3.941 -0.733 1
1 451 . 8 1 1 A 39 39 VAL C C 39 176.735 178.137 -1.402 1
1 452 . 8 1 1 A 39 39 VAL CA C 39 67.315 65.726 1.589 1
1 453 . 8 1 1 A 39 39 VAL CB C 39 30.909 31.771 -0.862 1
1 455 . 8 1 1 A 39 39 VAL N N 39 122.904 122.609 0.295 1
1 456 . 8 1 1 A 40 40 GLU H H 40 8.900 8.592 0.308 1
1 457 . 8 1 1 A 40 40 GLU HA H 40 4.076 4.051 0.025 1
1 462 . 8 1 1 A 40 40 GLU C C 40 179.355 179.226 0.129 1
1 463 . 8 1 1 A 40 40 GLU CA C 40 60.061 59.501 0.560 1
1 464 . 8 1 1 A 40 40 GLU CB C 40 28.401 29.200 -0.799 1
1 466 . 8 1 1 A 40 40 GLU N N 40 118.190 122.126 -3.936 1
1 467 . 8 1 1 A 41 41 GLY H H 41 8.199 8.042 0.157 1
1 468 . 8 1 1 A 41 41 GLY HA2 H 41 4.039 3.669 0.370 1
1 469 . 8 1 1 A 41 41 GLY HA3 H 41 3.919 3.670 0.249 1
1 470 . 8 1 1 A 41 41 GLY C C 41 176.267 176.589 -0.322 1
1 471 . 8 1 1 A 41 41 GLY CA C 41 46.167 47.137 -0.970 1
1 472 . 8 1 1 A 41 41 GLY N N 41 108.663 107.598 1.065 1
1 473 . 8 1 1 A 42 42 VAL H H 42 7.662 7.823 -0.161 1
1 474 . 8 1 1 A 42 42 VAL HA H 42 3.182 3.795 -0.613 1
1 479 . 8 1 1 A 42 42 VAL C C 42 177.014 178.337 -1.323 1
1 480 . 8 1 1 A 42 42 VAL CA C 42 67.030 65.730 1.300 1
1 481 . 8 1 1 A 42 42 VAL CB C 42 30.616 31.792 -1.176 1
1 483 . 8 1 1 A 42 42 VAL N N 42 123.036 121.313 1.723 1
1 484 . 8 1 1 A 43 43 TRP H H 43 7.726 8.283 -0.557 1
1 485 . 8 1 1 A 43 43 TRP HA H 43 4.640 4.346 0.294 1
1 494 . 8 1 1 A 43 43 TRP C C 43 179.135 179.149 -0.014 1
1 495 . 8 1 1 A 43 43 TRP CA C 43 59.208 60.160 -0.952 1
1 496 . 8 1 1 A 43 43 TRP CB C 43 29.033 28.947 0.086 1
1 502 . 8 1 1 A 43 43 TRP N N 43 118.730 119.726 -0.996 1
1 504 . 8 1 1 A 44 44 THR H H 44 8.545 8.125 0.420 1
1 505 . 8 1 1 A 44 44 THR HA H 44 4.223 4.107 0.116 1
1 510 . 8 1 1 A 44 44 THR C C 44 177.189 176.352 0.837 1
1 511 . 8 1 1 A 44 44 THR CA C 44 66.351 67.286 -0.935 1
1 512 . 8 1 1 A 44 44 THR CB C 44 68.921 68.205 0.716 1
1 514 . 8 1 1 A 44 44 THR N N 44 115.228 116.995 -1.767 1
1 515 . 8 1 1 A 45 45 LEU H H 45 7.961 8.090 -0.129 1
1 516 . 8 1 1 A 45 45 LEU HA H 45 4.299 3.945 0.354 1
1 523 . 8 1 1 A 45 45 LEU C C 45 178.301 179.108 -0.807 1
1 524 . 8 1 1 A 45 45 LEU CA C 45 57.759 58.262 -0.503 1
1 525 . 8 1 1 A 45 45 LEU CB C 45 42.462 41.891 0.571 1
1 527 . 8 1 1 A 45 45 LEU N N 45 123.256 120.870 2.386 1
1 528 . 8 1 1 A 46 46 LYS H H 46 8.645 7.945 0.700 1
1 529 . 8 1 1 A 46 46 LYS HA H 46 3.850 3.933 -0.083 1
1 536 . 8 1 1 A 46 46 LYS C C 46 177.716 178.655 -0.939 1
1 537 . 8 1 1 A 46 46 LYS CA C 46 60.731 58.989 1.742 1
1 538 . 8 1 1 A 46 46 LYS CB C 46 30.700 32.163 -1.463 1
1 540 . 8 1 1 A 46 46 LYS N N 46 119.178 117.878 1.300 1
1 541 . 8 1 1 A 47 47 ASP H H 47 7.711 8.168 -0.457 1
1 542 . 8 1 1 A 47 47 ASP HA H 47 4.539 4.398 0.141 1
1 545 . 8 1 1 A 47 47 ASP C C 47 178.755 179.310 -0.555 1
1 546 . 8 1 1 A 47 47 ASP CA C 47 57.095 56.715 0.380 1
1 547 . 8 1 1 A 47 47 ASP CB C 47 40.138 40.258 -0.120 1
1 548 . 8 1 1 A 47 47 ASP N N 47 117.538 120.031 -2.493 1
1 549 . 8 1 1 A 48 48 GLU H H 48 7.951 8.242 -0.291 1
1 550 . 8 1 1 A 48 48 GLU HA H 48 3.989 4.355 -0.366 1
1 555 . 8 1 1 A 48 48 GLU C C 48 179.165 179.237 -0.072 1
1 556 . 8 1 1 A 48 48 GLU CA C 48 59.143 58.908 0.235 1
1 557 . 8 1 1 A 48 48 GLU CB C 48 29.783 28.793 0.990 1
1 559 . 8 1 1 A 48 48 GLU N N 48 121.677 120.546 1.131 1
1 560 . 8 1 1 A 49 49 ILE H H 49 8.602 7.661 0.941 1
1 561 . 8 1 1 A 49 49 ILE HA H 49 3.834 3.798 0.036 1
1 568 . 8 1 1 A 49 49 ILE C C 49 177.379 178.639 -1.260 1
1 569 . 8 1 1 A 49 49 ILE CA C 49 64.044 64.921 -0.877 1
1 570 . 8 1 1 A 49 49 ILE CB C 49 37.896 37.098 0.798 1
1 572 . 8 1 1 A 49 49 ILE N N 49 120.326 121.121 -0.795 1
1 573 . 8 1 1 A 50 50 LYS H H 50 7.785 7.691 0.094 1
1 574 . 8 1 1 A 50 50 LYS HA H 50 4.057 4.106 -0.049 1
1 583 . 8 1 1 A 50 50 LYS C C 50 177.848 179.183 -1.335 1
1 584 . 8 1 1 A 50 50 LYS CA C 50 59.629 58.963 0.666 1
1 585 . 8 1 1 A 50 50 LYS CB C 50 32.026 31.723 0.303 1
1 587 . 8 1 1 A 50 50 LYS N N 50 119.242 120.128 -0.886 1
1 588 . 8 1 1 A 51 51 THR H H 51 7.609 7.572 0.037 1
1 589 . 8 1 1 A 51 51 THR HA H 51 4.344 4.280 0.064 1
1 594 . 8 1 1 A 51 51 THR C C 51 175.360 175.345 0.015 1
1 595 . 8 1 1 A 51 51 THR CA C 51 63.224 64.596 -1.372 1
1 596 . 8 1 1 A 51 51 THR CB C 51 69.781 69.124 0.657 1
1 598 . 8 1 1 A 51 51 THR N N 51 109.871 113.499 -3.628 1
1 599 . 8 1 1 A 52 52 PHE H H 52 7.645 7.708 -0.063 1
1 600 . 8 1 1 A 52 52 PHE HA H 52 4.810 4.804 0.006 1
1 607 . 8 1 1 A 52 52 PHE C C 52 176.750 176.240 0.510 1
1 608 . 8 1 1 A 52 52 PHE CA C 52 56.960 58.333 -1.373 1
1 609 . 8 1 1 A 52 52 PHE CB C 52 37.622 38.775 -1.153 1
1 614 . 8 1 1 A 52 52 PHE N N 52 120.960 122.087 -1.127 1
1 615 . 8 1 1 A 53 53 THR H H 53 8.124 7.824 0.300 1
1 616 . 8 1 1 A 53 53 THR HA H 53 4.472 4.311 0.161 1
1 621 . 8 1 1 A 53 53 THR C C 53 174.394 173.497 0.897 1
1 622 . 8 1 1 A 53 53 THR CA C 53 62.464 64.879 -2.415 1
1 623 . 8 1 1 A 53 53 THR CB C 53 70.045 69.409 0.636 1
1 625 . 8 1 1 A 53 53 THR N N 53 113.896 114.353 -0.457 1
1 626 . 8 1 1 A 54 54 VAL H H 54 8.114 7.911 0.203 1
1 627 . 8 1 1 A 54 54 VAL HA H 54 4.346 4.315 0.031 1
1 632 . 8 1 1 A 54 54 VAL C C 54 176.209 175.115 1.094 1
1 633 . 8 1 1 A 54 54 VAL CA C 54 62.128 60.406 1.722 1
1 634 . 8 1 1 A 54 54 VAL CB C 54 32.694 34.897 -2.203 1
1 636 . 8 1 1 A 54 54 VAL N N 54 122.467 117.131 5.336 1
1 637 . 8 1 1 A 55 55 THR H H 55 8.362 9.325 -0.963 1
1 638 . 8 1 1 A 55 55 THR HA H 55 4.409 3.985 0.424 1
1 643 . 8 1 1 A 55 55 THR C C 55 173.648 173.846 -0.198 1
1 644 . 8 1 1 A 55 55 THR CA C 55 61.875 62.995 -1.120 1
1 645 . 8 1 1 A 55 55 THR CB C 55 69.860 66.680 3.180 1
1 647 . 8 1 1 A 55 55 THR N N 55 118.624 115.858 2.766 1
1 3 . 9 1 1 A 2 2 THR H H 2 8.109 8.451 -0.342 1
1 4 . 9 1 1 A 2 2 THR HA H 2 4.400 4.250 0.150 1
1 9 . 9 1 1 A 2 2 THR C C 2 173.933 173.207 0.726 1
1 10 . 9 1 1 A 2 2 THR CA C 2 61.842 62.759 -0.917 1
1 11 . 9 1 1 A 2 2 THR CB C 2 69.793 67.869 1.924 1
1 13 . 9 1 1 A 2 2 THR N N 2 128.532 111.962 16.570 1
1 14 . 9 1 1 A 3 3 TYR H H 3 8.424 9.091 -0.667 1
1 15 . 9 1 1 A 3 3 TYR HA H 3 4.434 4.977 -0.543 1
1 22 . 9 1 1 A 3 3 TYR C C 3 175.696 175.915 -0.219 1
1 23 . 9 1 1 A 3 3 TYR CA C 3 58.210 57.040 1.170 1
1 24 . 9 1 1 A 3 3 TYR CB C 3 38.473 39.996 -1.523 1
1 27 . 9 1 1 A 3 3 TYR N N 3 123.975 126.556 -2.581 1
1 28 . 9 1 1 A 4 4 LYS H H 4 8.160 9.027 -0.867 1
1 29 . 9 1 1 A 4 4 LYS HA H 4 4.217 5.399 -1.182 1
1 36 . 9 1 1 A 4 4 LYS C C 4 175.989 175.369 0.620 1
1 37 . 9 1 1 A 4 4 LYS CA C 4 56.657 54.071 2.586 1
1 38 . 9 1 1 A 4 4 LYS CB C 4 32.834 36.513 -3.679 1
1 42 . 9 1 1 A 4 4 LYS N N 4 122.591 118.446 4.145 1
1 43 . 9 1 1 A 5 5 LEU H H 5 8.050 8.484 -0.434 1
1 44 . 9 1 1 A 5 5 LEU HA H 5 4.325 4.708 -0.383 1
1 50 . 9 1 1 A 5 5 LEU C C 5 177.233 174.827 2.406 1
1 51 . 9 1 1 A 5 5 LEU CA C 5 55.392 55.046 0.346 1
1 52 . 9 1 1 A 5 5 LEU CB C 5 41.995 43.089 -1.094 1
1 56 . 9 1 1 A 5 5 LEU N N 5 122.335 120.755 1.580 1
1 57 . 9 1 1 A 6 6 ILE H H 6 8.136 8.731 -0.595 1
1 58 . 9 1 1 A 6 6 ILE HA H 6 4.230 4.477 -0.247 1
1 68 . 9 1 1 A 6 6 ILE C C 6 176.253 175.780 0.473 1
1 69 . 9 1 1 A 6 6 ILE CA C 6 61.256 60.078 1.178 1
1 70 . 9 1 1 A 6 6 ILE CB C 6 38.070 38.444 -0.374 1
1 74 . 9 1 1 A 6 6 ILE N N 6 122.472 126.241 -3.769 1
1 75 . 9 1 1 A 7 7 LEU H H 7 8.234 8.524 -0.290 1
1 76 . 9 1 1 A 7 7 LEU HA H 7 4.521 3.999 0.522 1
1 82 . 9 1 1 A 7 7 LEU C C 7 177.087 175.401 1.686 1
1 83 . 9 1 1 A 7 7 LEU CA C 7 55.268 57.159 -1.891 1
1 84 . 9 1 1 A 7 7 LEU CB C 7 42.738 41.126 1.612 1
1 87 . 9 1 1 A 7 7 LEU N N 7 125.667 125.273 0.394 1
1 88 . 9 1 1 A 8 8 ASN H H 8 8.195 8.107 0.088 1
1 89 . 9 1 1 A 8 8 ASN HA H 8 4.801 4.957 -0.156 1
1 94 . 9 1 1 A 8 8 ASN C C 8 175.345 174.642 0.703 1
1 95 . 9 1 1 A 8 8 ASN CA C 8 52.541 53.351 -0.810 1
1 96 . 9 1 1 A 8 8 ASN CB C 8 38.782 40.561 -1.779 1
1 97 . 9 1 1 A 8 8 ASN N N 8 118.150 114.940 3.210 1
1 99 . 9 1 1 A 9 9 LEU H H 9 8.434 8.813 -0.379 1
1 100 . 9 1 1 A 9 9 LEU HA H 9 3.974 3.984 -0.010 1
1 109 . 9 1 1 A 9 9 LEU C C 9 177.160 178.557 -1.397 1
1 110 . 9 1 1 A 9 9 LEU CA C 9 58.418 56.920 1.498 1
1 111 . 9 1 1 A 9 9 LEU CB C 9 42.073 41.873 0.200 1
1 114 . 9 1 1 A 9 9 LEU N N 9 121.944 126.505 -4.561 1
1 115 . 9 1 1 A 10 10 LYS H H 10 8.115 8.164 -0.049 1
1 116 . 9 1 1 A 10 10 LYS HA H 10 3.964 3.883 0.081 1
1 121 . 9 1 1 A 10 10 LYS C C 10 178.535 178.663 -0.128 1
1 122 . 9 1 1 A 10 10 LYS CA C 10 60.121 60.246 -0.125 1
1 123 . 9 1 1 A 10 10 LYS CB C 10 32.108 32.027 0.081 1
1 126 . 9 1 1 A 10 10 LYS N N 10 118.923 118.639 0.284 1
1 127 . 9 1 1 A 11 11 GLN H H 11 7.647 8.086 -0.439 1
1 128 . 9 1 1 A 11 11 GLN HA H 11 4.198 4.121 0.077 1
1 135 . 9 1 1 A 11 11 GLN C C 11 179.267 178.072 1.195 1
1 136 . 9 1 1 A 11 11 GLN CA C 11 59.331 58.646 0.685 1
1 137 . 9 1 1 A 11 11 GLN CB C 11 29.621 28.791 0.830 1
1 139 . 9 1 1 A 11 11 GLN N N 11 117.482 119.243 -1.761 1
1 141 . 9 1 1 A 12 12 ALA H H 12 8.431 7.895 0.536 1
1 142 . 9 1 1 A 12 12 ALA HA H 12 4.200 2.783 1.417 1
1 146 . 9 1 1 A 12 12 ALA C C 12 179.809 179.117 0.692 1
1 147 . 9 1 1 A 12 12 ALA CA C 12 55.484 54.504 0.980 1
1 148 . 9 1 1 A 12 12 ALA CB C 12 18.673 17.438 1.235 1
1 149 . 9 1 1 A 12 12 ALA N N 12 122.387 121.921 0.466 1
1 150 . 9 1 1 A 13 13 LYS H H 13 8.361 8.653 -0.292 1
1 151 . 9 1 1 A 13 13 LYS HA H 13 3.671 3.964 -0.293 1
1 158 . 9 1 1 A 13 13 LYS C C 13 177.701 178.440 -0.739 1
1 159 . 9 1 1 A 13 13 LYS CA C 13 60.773 59.298 1.475 1
1 160 . 9 1 1 A 13 13 LYS CB C 13 33.191 32.394 0.797 1
1 163 . 9 1 1 A 13 13 LYS N N 13 116.790 118.111 -1.321 1
1 164 . 9 1 1 A 14 14 GLU H H 14 7.953 8.449 -0.496 1
1 165 . 9 1 1 A 14 14 GLU HA H 14 3.979 3.972 0.007 1
1 170 . 9 1 1 A 14 14 GLU C C 14 178.067 179.407 -1.340 1
1 171 . 9 1 1 A 14 14 GLU CA C 14 59.824 59.732 0.092 1
1 172 . 9 1 1 A 14 14 GLU CB C 14 29.389 29.099 0.290 1
1 174 . 9 1 1 A 14 14 GLU N N 14 116.988 118.733 -1.745 1
1 175 . 9 1 1 A 15 15 GLU H H 15 8.442 8.012 0.430 1
1 176 . 9 1 1 A 15 15 GLU HA H 15 4.053 4.126 -0.073 1
1 179 . 9 1 1 A 15 15 GLU C C 15 178.374 179.391 -1.017 1
1 180 . 9 1 1 A 15 15 GLU CA C 15 58.307 59.079 -0.772 1
1 181 . 9 1 1 A 15 15 GLU CB C 15 29.030 29.482 -0.452 1
1 183 . 9 1 1 A 15 15 GLU N N 15 115.659 119.495 -3.836 1
1 184 . 9 1 1 A 16 16 ALA H H 16 8.555 7.864 0.691 1
1 185 . 9 1 1 A 16 16 ALA HA H 16 4.199 4.113 0.086 1
1 189 . 9 1 1 A 16 16 ALA C C 16 179.399 180.375 -0.976 1
1 190 . 9 1 1 A 16 16 ALA CA C 16 55.233 55.222 0.011 1
1 191 . 9 1 1 A 16 16 ALA CB C 16 17.853 18.170 -0.317 1
1 192 . 9 1 1 A 16 16 ALA N N 16 122.104 122.999 -0.895 1
1 193 . 9 1 1 A 17 17 ILE H H 17 8.719 7.575 1.144 1
1 194 . 9 1 1 A 17 17 ILE HA H 17 3.593 3.716 -0.123 1
1 201 . 9 1 1 A 17 17 ILE C C 17 177.131 177.785 -0.654 1
1 202 . 9 1 1 A 17 17 ILE CA C 17 66.796 65.124 1.672 1
1 203 . 9 1 1 A 17 17 ILE CB C 17 37.700 37.673 0.027 1
1 205 . 9 1 1 A 17 17 ILE N N 17 117.581 118.746 -1.165 1
1 206 . 9 1 1 A 18 18 LYS H H 18 7.795 7.984 -0.189 1
1 207 . 9 1 1 A 18 18 LYS HA H 18 4.025 3.933 0.092 1
1 214 . 9 1 1 A 18 18 LYS C C 18 179.340 179.015 0.325 1
1 215 . 9 1 1 A 18 18 LYS CA C 18 59.829 59.857 -0.028 1
1 216 . 9 1 1 A 18 18 LYS CB C 18 32.079 32.320 -0.241 1
1 220 . 9 1 1 A 18 18 LYS N N 18 119.291 120.820 -1.529 1
1 221 . 9 1 1 A 19 19 GLU H H 19 8.331 8.611 -0.280 1
1 222 . 9 1 1 A 19 19 GLU HA H 19 4.197 4.065 0.132 1
1 227 . 9 1 1 A 19 19 GLU C C 19 179.926 179.721 0.205 1
1 228 . 9 1 1 A 19 19 GLU CA C 19 58.483 59.069 -0.586 1
1 229 . 9 1 1 A 19 19 GLU CB C 19 28.508 29.350 -0.842 1
1 231 . 9 1 1 A 19 19 GLU N N 19 118.386 118.787 -0.401 1
1 232 . 9 1 1 A 20 20 LEU H H 20 8.270 7.712 0.558 1
1 233 . 9 1 1 A 20 20 LEU HA H 20 4.198 4.114 0.084 1
1 240 . 9 1 1 A 20 20 LEU C C 20 180.511 179.292 1.219 1
1 241 . 9 1 1 A 20 20 LEU CA C 20 57.429 57.963 -0.534 1
1 242 . 9 1 1 A 20 20 LEU CB C 20 40.978 41.497 -0.519 1
1 243 . 9 1 1 A 20 20 LEU N N 20 119.581 120.957 -1.376 1
1 244 . 9 1 1 A 21 21 VAL H H 21 9.479 8.466 1.013 1
1 245 . 9 1 1 A 21 21 VAL HA H 21 3.991 3.683 0.308 1
1 250 . 9 1 1 A 21 21 VAL C C 21 180.906 176.749 4.157 1
1 251 . 9 1 1 A 21 21 VAL CA C 21 66.562 66.645 -0.083 1
1 252 . 9 1 1 A 21 21 VAL CB C 21 31.435 31.687 -0.252 1
1 254 . 9 1 1 A 21 21 VAL N N 21 125.030 119.697 5.333 1
1 255 . 9 1 1 A 22 22 ASP H H 22 8.401 8.565 -0.164 1
1 256 . 9 1 1 A 22 22 ASP HA H 22 4.541 4.491 0.050 1
1 259 . 9 1 1 A 22 22 ASP C C 22 177.204 177.089 0.115 1
1 260 . 9 1 1 A 22 22 ASP CA C 22 57.019 55.822 1.197 1
1 261 . 9 1 1 A 22 22 ASP CB C 22 39.983 40.978 -0.995 1
1 262 . 9 1 1 A 22 22 ASP N N 22 122.749 119.836 2.913 1
1 263 . 9 1 1 A 23 23 ALA H H 23 7.485 8.119 -0.634 1
1 264 . 9 1 1 A 23 23 ALA HA H 23 4.522 4.462 0.060 1
1 268 . 9 1 1 A 23 23 ALA C C 23 177.965 178.159 -0.194 1
1 269 . 9 1 1 A 23 23 ALA CA C 23 52.130 52.618 -0.488 1
1 270 . 9 1 1 A 23 23 ALA CB C 23 18.673 21.284 -2.611 1
1 271 . 9 1 1 A 23 23 ALA N N 23 119.207 119.483 -0.276 1
1 272 . 9 1 1 A 24 24 GLY H H 24 8.150 8.275 -0.125 1
1 273 . 9 1 1 A 24 24 GLY HA2 H 24 4.183 3.972 0.211 1
1 274 . 9 1 1 A 24 24 GLY HA3 H 24 4.026 3.976 0.050 1
1 275 . 9 1 1 A 24 24 GLY C C 24 174.731 173.224 1.507 1
1 276 . 9 1 1 A 24 24 GLY CA C 24 45.916 46.063 -0.147 1
1 277 . 9 1 1 A 24 24 GLY N N 24 108.009 105.871 2.138 1
1 278 . 9 1 1 A 25 25 THR H H 25 7.786 7.887 -0.101 1
1 279 . 9 1 1 A 25 25 THR HA H 25 4.151 4.677 -0.526 1
1 284 . 9 1 1 A 25 25 THR C C 25 173.194 172.897 0.297 1
1 285 . 9 1 1 A 25 25 THR CA C 25 63.840 59.761 4.079 1
1 286 . 9 1 1 A 25 25 THR CB C 25 69.255 70.579 -1.324 1
1 288 . 9 1 1 A 25 25 THR N N 25 117.202 117.836 -0.634 1
1 289 . 9 1 1 A 26 26 ALA H H 26 8.978 8.414 0.564 1
1 290 . 9 1 1 A 26 26 ALA HA H 26 4.391 4.300 0.091 1
1 294 . 9 1 1 A 26 26 ALA C C 26 178.935 178.440 0.495 1
1 295 . 9 1 1 A 26 26 ALA CA C 26 53.038 51.580 1.458 1
1 296 . 9 1 1 A 26 26 ALA CB C 26 18.566 18.163 0.403 1
1 297 . 9 1 1 A 26 26 ALA N N 26 128.127 126.295 1.832 1
1 298 . 9 1 1 A 27 27 GLU H H 27 8.803 8.681 0.122 1
1 299 . 9 1 1 A 27 27 GLU HA H 27 3.966 4.087 -0.121 1
1 304 . 9 1 1 A 27 27 GLU C C 27 179.999 178.707 1.292 1
1 305 . 9 1 1 A 27 27 GLU CA C 27 59.465 59.122 0.343 1
1 306 . 9 1 1 A 27 27 GLU CB C 27 29.211 28.927 0.284 1
1 308 . 9 1 1 A 27 27 GLU N N 27 123.075 124.533 -1.458 1
1 309 . 9 1 1 A 28 28 LYS H H 28 8.455 8.274 0.181 1
1 310 . 9 1 1 A 28 28 LYS HA H 28 4.048 4.068 -0.020 1
1 315 . 9 1 1 A 28 28 LYS C C 28 177.394 179.054 -1.660 1
1 316 . 9 1 1 A 28 28 LYS CA C 28 58.951 58.873 0.078 1
1 317 . 9 1 1 A 28 28 LYS CB C 28 29.504 32.303 -2.799 1
1 320 . 9 1 1 A 28 28 LYS N N 28 119.368 119.587 -0.219 1
1 321 . 9 1 1 A 29 29 TYR H H 29 7.349 8.442 -1.093 1
1 322 . 9 1 1 A 29 29 TYR HA H 29 4.768 4.185 0.583 1
1 329 . 9 1 1 A 29 29 TYR C C 29 177.496 177.979 -0.483 1
1 330 . 9 1 1 A 29 29 TYR CA C 29 58.599 61.093 -2.494 1
1 331 . 9 1 1 A 29 29 TYR CB C 29 38.229 38.831 -0.602 1
1 336 . 9 1 1 A 29 29 TYR N N 29 117.039 120.749 -3.710 1
1 337 . 9 1 1 A 30 30 ILE H H 30 7.535 8.708 -1.173 1
1 338 . 9 1 1 A 30 30 ILE HA H 30 3.638 3.768 -0.130 1
1 348 . 9 1 1 A 30 30 ILE C C 30 178.462 178.466 -0.004 1
1 349 . 9 1 1 A 30 30 ILE CA C 30 65.156 64.974 0.182 1
1 350 . 9 1 1 A 30 30 ILE CB C 30 36.867 37.608 -0.741 1
1 353 . 9 1 1 A 30 30 ILE N N 30 120.828 120.433 0.395 1
1 354 . 9 1 1 A 31 31 LYS H H 31 7.862 7.623 0.239 1
1 355 . 9 1 1 A 31 31 LYS HA H 31 4.053 4.088 -0.035 1
1 360 . 9 1 1 A 31 31 LYS C C 31 178.243 178.578 -0.335 1
1 361 . 9 1 1 A 31 31 LYS CA C 31 58.796 58.873 -0.077 1
1 362 . 9 1 1 A 31 31 LYS CB C 31 31.723 31.952 -0.229 1
1 365 . 9 1 1 A 31 31 LYS N N 31 116.578 122.007 -5.429 1
1 366 . 9 1 1 A 32 32 LEU H H 32 7.353 7.834 -0.481 1
1 367 . 9 1 1 A 32 32 LEU HA H 32 4.128 4.089 0.039 1
1 373 . 9 1 1 A 32 32 LEU C C 32 180.028 178.626 1.402 1
1 374 . 9 1 1 A 32 32 LEU CA C 32 57.809 57.151 0.658 1
1 375 . 9 1 1 A 32 32 LEU CB C 32 41.196 42.147 -0.951 1
1 378 . 9 1 1 A 32 32 LEU N N 32 117.030 120.346 -3.316 1
1 379 . 9 1 1 A 33 33 ILE H H 33 7.494 8.332 -0.838 1
1 380 . 9 1 1 A 33 33 ILE HA H 33 3.760 3.972 -0.212 1
1 387 . 9 1 1 A 33 33 ILE C C 33 178.477 177.858 0.619 1
1 388 . 9 1 1 A 33 33 ILE CA C 33 62.407 63.731 -1.324 1
1 389 . 9 1 1 A 33 33 ILE CB C 33 35.407 37.330 -1.923 1
1 391 . 9 1 1 A 33 33 ILE N N 33 118.141 115.476 2.665 1
1 392 . 9 1 1 A 34 34 ALA H H 34 7.777 8.021 -0.244 1
1 393 . 9 1 1 A 34 34 ALA HA H 34 4.031 4.034 -0.003 1
1 397 . 9 1 1 A 34 34 ALA C C 34 178.857 178.565 0.292 1
1 398 . 9 1 1 A 34 34 ALA CA C 34 54.662 54.563 0.099 1
1 399 . 9 1 1 A 34 34 ALA CB C 34 18.492 18.575 -0.083 1
1 400 . 9 1 1 A 34 34 ALA N N 34 119.230 124.000 -4.770 1
1 401 . 9 1 1 A 35 35 ASN H H 35 7.418 7.625 -0.207 1
1 402 . 9 1 1 A 35 35 ASN HA H 35 4.863 4.727 0.136 1
1 407 . 9 1 1 A 35 35 ASN C C 35 175.345 175.541 -0.196 1
1 408 . 9 1 1 A 35 35 ASN CA C 35 52.686 53.191 -0.505 1
1 409 . 9 1 1 A 35 35 ASN CB C 35 39.075 39.196 -0.121 1
1 410 . 9 1 1 A 35 35 ASN N N 35 113.022 114.361 -1.339 1
1 412 . 9 1 1 A 36 36 ALA H H 36 7.529 7.848 -0.319 1
1 413 . 9 1 1 A 36 36 ALA HA H 36 4.329 4.061 0.268 1
1 417 . 9 1 1 A 36 36 ALA C C 36 177.862 178.422 -0.560 1
1 418 . 9 1 1 A 36 36 ALA CA C 36 53.389 53.303 0.086 1
1 419 . 9 1 1 A 36 36 ALA CB C 36 19.141 19.242 -0.101 1
1 420 . 9 1 1 A 36 36 ALA N N 36 124.061 122.676 1.385 1
1 421 . 9 1 1 A 37 37 LYS H H 37 8.891 8.835 0.056 1
1 422 . 9 1 1 A 37 37 LYS HA H 37 4.450 4.391 0.059 1
1 427 . 9 1 1 A 37 37 LYS C C 37 176.758 175.539 1.219 1
1 428 . 9 1 1 A 37 37 LYS CA C 37 56.476 56.085 0.391 1
1 429 . 9 1 1 A 37 37 LYS CB C 37 34.789 32.055 2.734 1
1 433 . 9 1 1 A 37 37 LYS N N 37 117.071 119.204 -2.133 1
1 434 . 9 1 1 A 38 38 THR H H 38 7.406 7.516 -0.110 1
1 435 . 9 1 1 A 38 38 THR HA H 38 4.704 4.729 -0.025 1
1 440 . 9 1 1 A 38 38 THR C C 38 173.984 174.269 -0.285 1
1 441 . 9 1 1 A 38 38 THR CA C 38 58.248 60.855 -2.607 1
1 442 . 9 1 1 A 38 38 THR CB C 38 72.884 72.482 0.402 1
1 444 . 9 1 1 A 38 38 THR N N 38 106.340 113.281 -6.941 1
1 445 . 9 1 1 A 39 39 VAL H H 39 8.967 8.990 -0.023 1
1 446 . 9 1 1 A 39 39 VAL HA H 39 3.208 3.484 -0.276 1
1 451 . 9 1 1 A 39 39 VAL C C 39 176.735 177.301 -0.566 1
1 452 . 9 1 1 A 39 39 VAL CA C 39 67.315 66.656 0.659 1
1 453 . 9 1 1 A 39 39 VAL CB C 39 30.909 31.610 -0.701 1
1 455 . 9 1 1 A 39 39 VAL N N 39 122.904 124.953 -2.049 1
1 456 . 9 1 1 A 40 40 GLU H H 40 8.900 8.515 0.385 1
1 457 . 9 1 1 A 40 40 GLU HA H 40 4.076 4.277 -0.201 1
1 462 . 9 1 1 A 40 40 GLU C C 40 179.355 179.687 -0.332 1
1 463 . 9 1 1 A 40 40 GLU CA C 40 60.061 59.631 0.430 1
1 464 . 9 1 1 A 40 40 GLU CB C 40 28.401 29.239 -0.838 1
1 466 . 9 1 1 A 40 40 GLU N N 40 118.190 118.876 -0.686 1
1 467 . 9 1 1 A 41 41 GLY H H 41 8.199 8.320 -0.121 1
1 468 . 9 1 1 A 41 41 GLY HA2 H 41 4.039 3.699 0.340 1
1 469 . 9 1 1 A 41 41 GLY HA3 H 41 3.919 3.725 0.194 1
1 470 . 9 1 1 A 41 41 GLY C C 41 176.267 176.792 -0.525 1
1 471 . 9 1 1 A 41 41 GLY CA C 41 46.167 47.030 -0.863 1
1 472 . 9 1 1 A 41 41 GLY N N 41 108.663 108.305 0.358 1
1 473 . 9 1 1 A 42 42 VAL H H 42 7.662 7.464 0.198 1
1 474 . 9 1 1 A 42 42 VAL HA H 42 3.182 3.708 -0.526 1
1 479 . 9 1 1 A 42 42 VAL C C 42 177.014 178.374 -1.360 1
1 480 . 9 1 1 A 42 42 VAL CA C 42 67.030 65.488 1.542 1
1 481 . 9 1 1 A 42 42 VAL CB C 42 30.616 31.322 -0.706 1
1 483 . 9 1 1 A 42 42 VAL N N 42 123.036 121.127 1.909 1
1 484 . 9 1 1 A 43 43 TRP H H 43 7.726 7.695 0.031 1
1 485 . 9 1 1 A 43 43 TRP HA H 43 4.640 4.361 0.279 1
1 494 . 9 1 1 A 43 43 TRP C C 43 179.135 179.169 -0.034 1
1 495 . 9 1 1 A 43 43 TRP CA C 43 59.208 60.046 -0.838 1
1 496 . 9 1 1 A 43 43 TRP CB C 43 29.033 29.177 -0.144 1
1 502 . 9 1 1 A 43 43 TRP N N 43 118.730 120.030 -1.300 1
1 504 . 9 1 1 A 44 44 THR H H 44 8.545 8.165 0.380 1
1 505 . 9 1 1 A 44 44 THR HA H 44 4.223 4.139 0.084 1
1 510 . 9 1 1 A 44 44 THR C C 44 177.189 176.387 0.802 1
1 511 . 9 1 1 A 44 44 THR CA C 44 66.351 67.239 -0.888 1
1 512 . 9 1 1 A 44 44 THR CB C 44 68.921 68.321 0.600 1
1 514 . 9 1 1 A 44 44 THR N N 44 115.228 116.400 -1.172 1
1 515 . 9 1 1 A 45 45 LEU H H 45 7.961 8.069 -0.108 1
1 516 . 9 1 1 A 45 45 LEU HA H 45 4.299 3.889 0.410 1
1 523 . 9 1 1 A 45 45 LEU C C 45 178.301 179.145 -0.844 1
1 524 . 9 1 1 A 45 45 LEU CA C 45 57.759 58.282 -0.523 1
1 525 . 9 1 1 A 45 45 LEU CB C 45 42.462 41.844 0.618 1
1 527 . 9 1 1 A 45 45 LEU N N 45 123.256 120.820 2.436 1
1 528 . 9 1 1 A 46 46 LYS H H 46 8.645 8.018 0.627 1
1 529 . 9 1 1 A 46 46 LYS HA H 46 3.850 4.005 -0.155 1
1 536 . 9 1 1 A 46 46 LYS C C 46 177.716 178.489 -0.773 1
1 537 . 9 1 1 A 46 46 LYS CA C 46 60.731 59.126 1.605 1
1 538 . 9 1 1 A 46 46 LYS CB C 46 30.700 32.242 -1.542 1
1 540 . 9 1 1 A 46 46 LYS N N 46 119.178 117.901 1.277 1
1 541 . 9 1 1 A 47 47 ASP H H 47 7.711 7.981 -0.270 1
1 542 . 9 1 1 A 47 47 ASP HA H 47 4.539 4.350 0.189 1
1 545 . 9 1 1 A 47 47 ASP C C 47 178.755 178.377 0.378 1
1 546 . 9 1 1 A 47 47 ASP CA C 47 57.095 56.840 0.255 1
1 547 . 9 1 1 A 47 47 ASP CB C 47 40.138 40.893 -0.755 1
1 548 . 9 1 1 A 47 47 ASP N N 47 117.538 120.000 -2.462 1
1 549 . 9 1 1 A 48 48 GLU H H 48 7.951 8.494 -0.543 1
1 550 . 9 1 1 A 48 48 GLU HA H 48 3.989 4.059 -0.070 1
1 555 . 9 1 1 A 48 48 GLU C C 48 179.165 179.268 -0.103 1
1 556 . 9 1 1 A 48 48 GLU CA C 48 59.143 58.800 0.343 1
1 557 . 9 1 1 A 48 48 GLU CB C 48 29.783 29.034 0.749 1
1 559 . 9 1 1 A 48 48 GLU N N 48 121.677 118.050 3.627 1
1 560 . 9 1 1 A 49 49 ILE H H 49 8.602 7.450 1.152 1
1 561 . 9 1 1 A 49 49 ILE HA H 49 3.834 3.858 -0.024 1
1 568 . 9 1 1 A 49 49 ILE C C 49 177.379 178.471 -1.092 1
1 569 . 9 1 1 A 49 49 ILE CA C 49 64.044 64.706 -0.662 1
1 570 . 9 1 1 A 49 49 ILE CB C 49 37.896 37.047 0.849 1
1 572 . 9 1 1 A 49 49 ILE N N 49 120.326 121.239 -0.913 1
1 573 . 9 1 1 A 50 50 LYS H H 50 7.785 7.635 0.150 1
1 574 . 9 1 1 A 50 50 LYS HA H 50 4.057 4.045 0.012 1
1 583 . 9 1 1 A 50 50 LYS C C 50 177.848 178.570 -0.722 1
1 584 . 9 1 1 A 50 50 LYS CA C 50 59.629 58.869 0.760 1
1 585 . 9 1 1 A 50 50 LYS CB C 50 32.026 31.850 0.176 1
1 587 . 9 1 1 A 50 50 LYS N N 50 119.242 120.219 -0.977 1
1 588 . 9 1 1 A 51 51 THR H H 51 7.609 7.475 0.134 1
1 589 . 9 1 1 A 51 51 THR HA H 51 4.344 4.306 0.038 1
1 594 . 9 1 1 A 51 51 THR C C 51 175.360 175.150 0.210 1
1 595 . 9 1 1 A 51 51 THR CA C 51 63.224 63.481 -0.257 1
1 596 . 9 1 1 A 51 51 THR CB C 51 69.781 69.706 0.075 1
1 598 . 9 1 1 A 51 51 THR N N 51 109.871 112.494 -2.623 1
1 599 . 9 1 1 A 52 52 PHE H H 52 7.645 7.755 -0.110 1
1 600 . 9 1 1 A 52 52 PHE HA H 52 4.810 4.670 0.140 1
1 607 . 9 1 1 A 52 52 PHE C C 52 176.750 176.573 0.177 1
1 608 . 9 1 1 A 52 52 PHE CA C 52 56.960 57.660 -0.700 1
1 609 . 9 1 1 A 52 52 PHE CB C 52 37.622 39.052 -1.430 1
1 614 . 9 1 1 A 52 52 PHE N N 52 120.960 123.136 -2.176 1
1 615 . 9 1 1 A 53 53 THR H H 53 8.124 8.177 -0.053 1
1 616 . 9 1 1 A 53 53 THR HA H 53 4.472 4.064 0.408 1
1 621 . 9 1 1 A 53 53 THR C C 53 174.394 174.411 -0.017 1
1 622 . 9 1 1 A 53 53 THR CA C 53 62.464 65.485 -3.021 1
1 623 . 9 1 1 A 53 53 THR CB C 53 70.045 68.119 1.926 1
1 625 . 9 1 1 A 53 53 THR N N 53 113.896 112.850 1.046 1
1 626 . 9 1 1 A 54 54 VAL H H 54 8.114 7.785 0.329 1
1 627 . 9 1 1 A 54 54 VAL HA H 54 4.346 4.292 0.054 1
1 632 . 9 1 1 A 54 54 VAL C C 54 176.209 175.176 1.033 1
1 633 . 9 1 1 A 54 54 VAL CA C 54 62.128 60.697 1.431 1
1 634 . 9 1 1 A 54 54 VAL CB C 54 32.694 33.066 -0.372 1
1 636 . 9 1 1 A 54 54 VAL N N 54 122.467 121.045 1.422 1
1 637 . 9 1 1 A 55 55 THR H H 55 8.362 8.245 0.117 1
1 638 . 9 1 1 A 55 55 THR HA H 55 4.409 4.122 0.287 1
1 643 . 9 1 1 A 55 55 THR C C 55 173.648 175.900 -2.252 1
1 644 . 9 1 1 A 55 55 THR CA C 55 61.875 63.420 -1.545 1
1 645 . 9 1 1 A 55 55 THR CB C 55 69.860 69.521 0.339 1
1 647 . 9 1 1 A 55 55 THR N N 55 118.624 122.410 -3.786 1
1 3 . 10 1 1 A 2 2 THR H H 2 8.109 7.940 0.169 1
1 4 . 10 1 1 A 2 2 THR HA H 2 4.400 4.450 -0.050 1
1 9 . 10 1 1 A 2 2 THR C C 2 173.933 173.627 0.306 1
1 10 . 10 1 1 A 2 2 THR CA C 2 61.842 60.758 1.084 1
1 11 . 10 1 1 A 2 2 THR CB C 2 69.793 68.237 1.556 1
1 13 . 10 1 1 A 2 2 THR N N 2 128.532 115.844 12.688 1
1 14 . 10 1 1 A 3 3 TYR H H 3 8.424 8.720 -0.296 1
1 15 . 10 1 1 A 3 3 TYR HA H 3 4.434 4.329 0.105 1
1 22 . 10 1 1 A 3 3 TYR C C 3 175.696 175.343 0.353 1
1 23 . 10 1 1 A 3 3 TYR CA C 3 58.210 60.842 -2.632 1
1 24 . 10 1 1 A 3 3 TYR CB C 3 38.473 39.187 -0.714 1
1 27 . 10 1 1 A 3 3 TYR N N 3 123.975 128.843 -4.868 1
1 28 . 10 1 1 A 4 4 LYS H H 4 8.160 8.133 0.027 1
1 29 . 10 1 1 A 4 4 LYS HA H 4 4.217 4.244 -0.027 1
1 36 . 10 1 1 A 4 4 LYS C C 4 175.989 174.411 1.578 1
1 37 . 10 1 1 A 4 4 LYS CA C 4 56.657 58.714 -2.057 1
1 38 . 10 1 1 A 4 4 LYS CB C 4 32.834 31.366 1.468 1
1 42 . 10 1 1 A 4 4 LYS N N 4 122.591 118.524 4.067 1
1 43 . 10 1 1 A 5 5 LEU H H 5 8.050 8.448 -0.398 1
1 44 . 10 1 1 A 5 5 LEU HA H 5 4.325 4.785 -0.460 1
1 50 . 10 1 1 A 5 5 LEU C C 5 177.233 175.424 1.809 1
1 51 . 10 1 1 A 5 5 LEU CA C 5 55.392 55.087 0.305 1
1 52 . 10 1 1 A 5 5 LEU CB C 5 41.995 43.030 -1.035 1
1 56 . 10 1 1 A 5 5 LEU N N 5 122.335 121.212 1.123 1
1 57 . 10 1 1 A 6 6 ILE H H 6 8.136 8.850 -0.714 1
1 58 . 10 1 1 A 6 6 ILE HA H 6 4.230 4.360 -0.130 1
1 68 . 10 1 1 A 6 6 ILE C C 6 176.253 175.494 0.759 1
1 69 . 10 1 1 A 6 6 ILE CA C 6 61.256 61.107 0.149 1
1 70 . 10 1 1 A 6 6 ILE CB C 6 38.070 36.537 1.533 1
1 74 . 10 1 1 A 6 6 ILE N N 6 122.472 127.683 -5.211 1
1 75 . 10 1 1 A 7 7 LEU H H 7 8.234 8.316 -0.082 1
1 76 . 10 1 1 A 7 7 LEU HA H 7 4.521 4.162 0.359 1
1 82 . 10 1 1 A 7 7 LEU C C 7 177.087 177.614 -0.527 1
1 83 . 10 1 1 A 7 7 LEU CA C 7 55.268 57.805 -2.537 1
1 84 . 10 1 1 A 7 7 LEU CB C 7 42.738 42.060 0.678 1
1 87 . 10 1 1 A 7 7 LEU N N 7 125.667 128.847 -3.180 1
1 88 . 10 1 1 A 8 8 ASN H H 8 8.195 8.009 0.186 1
1 89 . 10 1 1 A 8 8 ASN HA H 8 4.801 5.078 -0.277 1
1 94 . 10 1 1 A 8 8 ASN C C 8 175.345 175.676 -0.331 1
1 95 . 10 1 1 A 8 8 ASN CA C 8 52.541 52.309 0.232 1
1 96 . 10 1 1 A 8 8 ASN CB C 8 38.782 39.219 -0.437 1
1 97 . 10 1 1 A 8 8 ASN N N 8 118.150 115.516 2.634 1
1 99 . 10 1 1 A 9 9 LEU H H 9 8.434 8.191 0.243 1
1 100 . 10 1 1 A 9 9 LEU HA H 9 3.974 4.123 -0.149 1
1 109 . 10 1 1 A 9 9 LEU C C 9 177.160 178.798 -1.638 1
1 110 . 10 1 1 A 9 9 LEU CA C 9 58.418 56.762 1.656 1
1 111 . 10 1 1 A 9 9 LEU CB C 9 42.073 41.798 0.275 1
1 114 . 10 1 1 A 9 9 LEU N N 9 121.944 121.620 0.324 1
1 115 . 10 1 1 A 10 10 LYS H H 10 8.115 8.222 -0.107 1
1 116 . 10 1 1 A 10 10 LYS HA H 10 3.964 3.913 0.051 1
1 121 . 10 1 1 A 10 10 LYS C C 10 178.535 178.555 -0.020 1
1 122 . 10 1 1 A 10 10 LYS CA C 10 60.121 60.293 -0.172 1
1 123 . 10 1 1 A 10 10 LYS CB C 10 32.108 32.072 0.036 1
1 126 . 10 1 1 A 10 10 LYS N N 10 118.923 118.272 0.651 1
1 127 . 10 1 1 A 11 11 GLN H H 11 7.647 8.013 -0.366 1
1 128 . 10 1 1 A 11 11 GLN HA H 11 4.198 4.139 0.059 1
1 135 . 10 1 1 A 11 11 GLN C C 11 179.267 177.943 1.324 1
1 136 . 10 1 1 A 11 11 GLN CA C 11 59.331 58.713 0.618 1
1 137 . 10 1 1 A 11 11 GLN CB C 11 29.621 28.764 0.857 1
1 139 . 10 1 1 A 11 11 GLN N N 11 117.482 119.178 -1.696 1
1 141 . 10 1 1 A 12 12 ALA H H 12 8.431 7.935 0.496 1
1 142 . 10 1 1 A 12 12 ALA HA H 12 4.200 2.422 1.778 1
1 146 . 10 1 1 A 12 12 ALA C C 12 179.809 178.872 0.937 1
1 147 . 10 1 1 A 12 12 ALA CA C 12 55.484 54.407 1.077 1
1 148 . 10 1 1 A 12 12 ALA CB C 12 18.673 17.240 1.433 1
1 149 . 10 1 1 A 12 12 ALA N N 12 122.387 121.988 0.399 1
1 150 . 10 1 1 A 13 13 LYS H H 13 8.361 8.900 -0.539 1
1 151 . 10 1 1 A 13 13 LYS HA H 13 3.671 3.793 -0.122 1
1 158 . 10 1 1 A 13 13 LYS C C 13 177.701 179.908 -2.207 1
1 159 . 10 1 1 A 13 13 LYS CA C 13 60.773 59.527 1.246 1
1 160 . 10 1 1 A 13 13 LYS CB C 13 33.191 32.226 0.965 1
1 163 . 10 1 1 A 13 13 LYS N N 13 116.790 117.106 -0.316 1
1 164 . 10 1 1 A 14 14 GLU H H 14 7.953 8.111 -0.158 1
1 165 . 10 1 1 A 14 14 GLU HA H 14 3.979 4.036 -0.057 1
1 170 . 10 1 1 A 14 14 GLU C C 14 178.067 179.651 -1.584 1
1 171 . 10 1 1 A 14 14 GLU CA C 14 59.824 59.251 0.573 1
1 172 . 10 1 1 A 14 14 GLU CB C 14 29.389 29.248 0.141 1
1 174 . 10 1 1 A 14 14 GLU N N 14 116.988 119.199 -2.211 1
1 175 . 10 1 1 A 15 15 GLU H H 15 8.442 7.675 0.767 1
1 176 . 10 1 1 A 15 15 GLU HA H 15 4.053 4.086 -0.033 1
1 179 . 10 1 1 A 15 15 GLU C C 15 178.374 179.313 -0.939 1
1 180 . 10 1 1 A 15 15 GLU CA C 15 58.307 59.194 -0.887 1
1 181 . 10 1 1 A 15 15 GLU CB C 15 29.030 28.927 0.103 1
1 183 . 10 1 1 A 15 15 GLU N N 15 115.659 120.478 -4.819 1
1 184 . 10 1 1 A 16 16 ALA H H 16 8.555 8.708 -0.153 1
1 185 . 10 1 1 A 16 16 ALA HA H 16 4.199 4.053 0.146 1
1 189 . 10 1 1 A 16 16 ALA C C 16 179.399 179.860 -0.461 1
1 190 . 10 1 1 A 16 16 ALA CA C 16 55.233 55.125 0.108 1
1 191 . 10 1 1 A 16 16 ALA CB C 16 17.853 18.293 -0.440 1
1 192 . 10 1 1 A 16 16 ALA N N 16 122.104 122.707 -0.603 1
1 193 . 10 1 1 A 17 17 ILE H H 17 8.719 7.770 0.949 1
1 194 . 10 1 1 A 17 17 ILE HA H 17 3.593 3.962 -0.369 1
1 201 . 10 1 1 A 17 17 ILE C C 17 177.131 177.544 -0.413 1
1 202 . 10 1 1 A 17 17 ILE CA C 17 66.796 64.029 2.767 1
1 203 . 10 1 1 A 17 17 ILE CB C 17 37.700 37.659 0.041 1
1 205 . 10 1 1 A 17 17 ILE N N 17 117.581 118.679 -1.098 1
1 206 . 10 1 1 A 18 18 LYS H H 18 7.795 7.866 -0.071 1
1 207 . 10 1 1 A 18 18 LYS HA H 18 4.025 3.926 0.099 1
1 214 . 10 1 1 A 18 18 LYS C C 18 179.340 178.955 0.385 1
1 215 . 10 1 1 A 18 18 LYS CA C 18 59.829 59.825 0.004 1
1 216 . 10 1 1 A 18 18 LYS CB C 18 32.079 32.286 -0.207 1
1 220 . 10 1 1 A 18 18 LYS N N 18 119.291 121.588 -2.297 1
1 221 . 10 1 1 A 19 19 GLU H H 19 8.331 8.784 -0.453 1
1 222 . 10 1 1 A 19 19 GLU HA H 19 4.197 4.069 0.128 1
1 227 . 10 1 1 A 19 19 GLU C C 19 179.926 179.616 0.310 1
1 228 . 10 1 1 A 19 19 GLU CA C 19 58.483 59.127 -0.644 1
1 229 . 10 1 1 A 19 19 GLU CB C 19 28.508 29.349 -0.841 1
1 231 . 10 1 1 A 19 19 GLU N N 19 118.386 118.829 -0.443 1
1 232 . 10 1 1 A 20 20 LEU H H 20 8.270 7.681 0.589 1
1 233 . 10 1 1 A 20 20 LEU HA H 20 4.198 4.097 0.101 1
1 240 . 10 1 1 A 20 20 LEU C C 20 180.511 178.720 1.791 1
1 241 . 10 1 1 A 20 20 LEU CA C 20 57.429 58.102 -0.673 1
1 242 . 10 1 1 A 20 20 LEU CB C 20 40.978 41.659 -0.681 1
1 243 . 10 1 1 A 20 20 LEU N N 20 119.581 121.563 -1.982 1
1 244 . 10 1 1 A 21 21 VAL H H 21 9.479 8.840 0.639 1
1 245 . 10 1 1 A 21 21 VAL HA H 21 3.991 3.525 0.466 1
1 250 . 10 1 1 A 21 21 VAL C C 21 180.906 178.586 2.320 1
1 251 . 10 1 1 A 21 21 VAL CA C 21 66.562 67.178 -0.616 1
1 252 . 10 1 1 A 21 21 VAL CB C 21 31.435 31.301 0.134 1
1 254 . 10 1 1 A 21 21 VAL N N 21 125.030 119.104 5.926 1
1 255 . 10 1 1 A 22 22 ASP H H 22 8.401 8.726 -0.325 1
1 256 . 10 1 1 A 22 22 ASP HA H 22 4.541 4.458 0.083 1
1 259 . 10 1 1 A 22 22 ASP C C 22 177.204 176.399 0.805 1
1 260 . 10 1 1 A 22 22 ASP CA C 22 57.019 56.305 0.714 1
1 261 . 10 1 1 A 22 22 ASP CB C 22 39.983 40.964 -0.981 1
1 262 . 10 1 1 A 22 22 ASP N N 22 122.749 121.612 1.137 1
1 263 . 10 1 1 A 23 23 ALA H H 23 7.485 7.810 -0.325 1
1 264 . 10 1 1 A 23 23 ALA HA H 23 4.522 4.630 -0.108 1
1 268 . 10 1 1 A 23 23 ALA C C 23 177.965 177.252 0.713 1
1 269 . 10 1 1 A 23 23 ALA CA C 23 52.130 53.120 -0.990 1
1 270 . 10 1 1 A 23 23 ALA CB C 23 18.673 20.937 -2.264 1
1 271 . 10 1 1 A 23 23 ALA N N 23 119.207 119.511 -0.304 1
1 272 . 10 1 1 A 24 24 GLY H H 24 8.150 7.645 0.505 1
1 273 . 10 1 1 A 24 24 GLY HA2 H 24 4.183 4.098 0.085 1
1 274 . 10 1 1 A 24 24 GLY HA3 H 24 4.026 4.101 -0.075 1
1 275 . 10 1 1 A 24 24 GLY C C 24 174.731 174.030 0.701 1
1 276 . 10 1 1 A 24 24 GLY CA C 24 45.916 45.627 0.289 1
1 277 . 10 1 1 A 24 24 GLY N N 24 108.009 103.798 4.211 1
1 278 . 10 1 1 A 25 25 THR H H 25 7.786 8.448 -0.662 1
1 279 . 10 1 1 A 25 25 THR HA H 25 4.151 4.329 -0.178 1
1 284 . 10 1 1 A 25 25 THR C C 25 173.194 173.606 -0.412 1
1 285 . 10 1 1 A 25 25 THR CA C 25 63.840 63.375 0.465 1
1 286 . 10 1 1 A 25 25 THR CB C 25 69.255 68.686 0.569 1
1 288 . 10 1 1 A 25 25 THR N N 25 117.202 116.952 0.250 1
1 289 . 10 1 1 A 26 26 ALA H H 26 8.978 8.375 0.603 1
1 290 . 10 1 1 A 26 26 ALA HA H 26 4.391 4.305 0.086 1
1 294 . 10 1 1 A 26 26 ALA C C 26 178.935 178.711 0.224 1
1 295 . 10 1 1 A 26 26 ALA CA C 26 53.038 51.620 1.418 1
1 296 . 10 1 1 A 26 26 ALA CB C 26 18.566 18.777 -0.211 1
1 297 . 10 1 1 A 26 26 ALA N N 26 128.127 127.290 0.837 1
1 298 . 10 1 1 A 27 27 GLU H H 27 8.803 8.851 -0.048 1
1 299 . 10 1 1 A 27 27 GLU HA H 27 3.966 4.095 -0.129 1
1 304 . 10 1 1 A 27 27 GLU C C 27 179.999 178.440 1.559 1
1 305 . 10 1 1 A 27 27 GLU CA C 27 59.465 59.052 0.413 1
1 306 . 10 1 1 A 27 27 GLU CB C 27 29.211 28.859 0.352 1
1 308 . 10 1 1 A 27 27 GLU N N 27 123.075 124.929 -1.854 1
1 309 . 10 1 1 A 28 28 LYS H H 28 8.455 8.279 0.176 1
1 310 . 10 1 1 A 28 28 LYS HA H 28 4.048 4.101 -0.053 1
1 315 . 10 1 1 A 28 28 LYS C C 28 177.394 178.223 -0.829 1
1 316 . 10 1 1 A 28 28 LYS CA C 28 58.951 58.874 0.077 1
1 317 . 10 1 1 A 28 28 LYS CB C 28 29.504 31.844 -2.340 1
1 320 . 10 1 1 A 28 28 LYS N N 28 119.368 119.040 0.328 1
1 321 . 10 1 1 A 29 29 TYR H H 29 7.349 8.123 -0.774 1
1 322 . 10 1 1 A 29 29 TYR HA H 29 4.768 4.269 0.499 1
1 329 . 10 1 1 A 29 29 TYR C C 29 177.496 177.919 -0.423 1
1 330 . 10 1 1 A 29 29 TYR CA C 29 58.599 61.171 -2.572 1
1 331 . 10 1 1 A 29 29 TYR CB C 29 38.229 38.612 -0.383 1
1 336 . 10 1 1 A 29 29 TYR N N 29 117.039 119.138 -2.099 1
1 337 . 10 1 1 A 30 30 ILE H H 30 7.535 8.284 -0.749 1
1 338 . 10 1 1 A 30 30 ILE HA H 30 3.638 3.829 -0.191 1
1 348 . 10 1 1 A 30 30 ILE C C 30 178.462 177.729 0.733 1
1 349 . 10 1 1 A 30 30 ILE CA C 30 65.156 63.449 1.707 1
1 350 . 10 1 1 A 30 30 ILE CB C 30 36.867 37.186 -0.319 1
1 353 . 10 1 1 A 30 30 ILE N N 30 120.828 120.171 0.657 1
1 354 . 10 1 1 A 31 31 LYS H H 31 7.862 8.353 -0.491 1
1 355 . 10 1 1 A 31 31 LYS HA H 31 4.053 4.067 -0.014 1
1 360 . 10 1 1 A 31 31 LYS C C 31 178.243 179.010 -0.767 1
1 361 . 10 1 1 A 31 31 LYS CA C 31 58.796 58.914 -0.118 1
1 362 . 10 1 1 A 31 31 LYS CB C 31 31.723 31.934 -0.211 1
1 365 . 10 1 1 A 31 31 LYS N N 31 116.578 121.566 -4.988 1
1 366 . 10 1 1 A 32 32 LEU H H 32 7.353 7.823 -0.470 1
1 367 . 10 1 1 A 32 32 LEU HA H 32 4.128 4.090 0.038 1
1 373 . 10 1 1 A 32 32 LEU C C 32 180.028 179.057 0.971 1
1 374 . 10 1 1 A 32 32 LEU CA C 32 57.809 57.874 -0.065 1
1 375 . 10 1 1 A 32 32 LEU CB C 32 41.196 41.663 -0.467 1
1 378 . 10 1 1 A 32 32 LEU N N 32 117.030 120.152 -3.122 1
1 379 . 10 1 1 A 33 33 ILE H H 33 7.494 7.571 -0.077 1
1 380 . 10 1 1 A 33 33 ILE HA H 33 3.760 3.945 -0.185 1
1 387 . 10 1 1 A 33 33 ILE C C 33 178.477 177.839 0.638 1
1 388 . 10 1 1 A 33 33 ILE CA C 33 62.407 63.736 -1.329 1
1 389 . 10 1 1 A 33 33 ILE CB C 33 35.407 37.308 -1.901 1
1 391 . 10 1 1 A 33 33 ILE N N 33 118.141 115.230 2.911 1
1 392 . 10 1 1 A 34 34 ALA H H 34 7.777 7.450 0.327 1
1 393 . 10 1 1 A 34 34 ALA HA H 34 4.031 3.975 0.056 1
1 397 . 10 1 1 A 34 34 ALA C C 34 178.857 178.764 0.093 1
1 398 . 10 1 1 A 34 34 ALA CA C 34 54.662 54.654 0.008 1
1 399 . 10 1 1 A 34 34 ALA CB C 34 18.492 18.629 -0.137 1
1 400 . 10 1 1 A 34 34 ALA N N 34 119.230 123.973 -4.743 1
1 401 . 10 1 1 A 35 35 ASN H H 35 7.418 7.906 -0.488 1
1 402 . 10 1 1 A 35 35 ASN HA H 35 4.863 4.875 -0.012 1
1 407 . 10 1 1 A 35 35 ASN C C 35 175.345 175.447 -0.102 1
1 408 . 10 1 1 A 35 35 ASN CA C 35 52.686 53.032 -0.346 1
1 409 . 10 1 1 A 35 35 ASN CB C 35 39.075 38.373 0.702 1
1 410 . 10 1 1 A 35 35 ASN N N 35 113.022 115.058 -2.036 1
1 412 . 10 1 1 A 36 36 ALA H H 36 7.529 7.991 -0.462 1
1 413 . 10 1 1 A 36 36 ALA HA H 36 4.329 4.061 0.268 1
1 417 . 10 1 1 A 36 36 ALA C C 36 177.862 176.917 0.945 1
1 418 . 10 1 1 A 36 36 ALA CA C 36 53.389 53.278 0.111 1
1 419 . 10 1 1 A 36 36 ALA CB C 36 19.141 19.145 -0.004 1
1 420 . 10 1 1 A 36 36 ALA N N 36 124.061 123.084 0.977 1
1 421 . 10 1 1 A 37 37 LYS H H 37 8.891 8.931 -0.040 1
1 422 . 10 1 1 A 37 37 LYS HA H 37 4.450 4.412 0.038 1
1 427 . 10 1 1 A 37 37 LYS C C 37 176.758 176.207 0.551 1
1 428 . 10 1 1 A 37 37 LYS CA C 37 56.476 57.353 -0.877 1
1 429 . 10 1 1 A 37 37 LYS CB C 37 34.789 33.940 0.849 1
1 433 . 10 1 1 A 37 37 LYS N N 37 117.071 124.254 -7.183 1
1 434 . 10 1 1 A 38 38 THR H H 38 7.406 7.811 -0.405 1
1 435 . 10 1 1 A 38 38 THR HA H 38 4.704 4.657 0.047 1
1 440 . 10 1 1 A 38 38 THR C C 38 173.984 175.317 -1.333 1
1 441 . 10 1 1 A 38 38 THR CA C 38 58.248 59.718 -1.470 1
1 442 . 10 1 1 A 38 38 THR CB C 38 72.884 70.962 1.922 1
1 444 . 10 1 1 A 38 38 THR N N 38 106.340 108.882 -2.542 1
1 445 . 10 1 1 A 39 39 VAL H H 39 8.967 9.085 -0.118 1
1 446 . 10 1 1 A 39 39 VAL HA H 39 3.208 3.769 -0.561 1
1 451 . 10 1 1 A 39 39 VAL C C 39 176.735 177.890 -1.155 1
1 452 . 10 1 1 A 39 39 VAL CA C 39 67.315 65.814 1.501 1
1 453 . 10 1 1 A 39 39 VAL CB C 39 30.909 31.776 -0.867 1
1 455 . 10 1 1 A 39 39 VAL N N 39 122.904 121.425 1.479 1
1 456 . 10 1 1 A 40 40 GLU H H 40 8.900 8.670 0.230 1
1 457 . 10 1 1 A 40 40 GLU HA H 40 4.076 4.219 -0.143 1
1 462 . 10 1 1 A 40 40 GLU C C 40 179.355 179.682 -0.327 1
1 463 . 10 1 1 A 40 40 GLU CA C 40 60.061 59.703 0.358 1
1 464 . 10 1 1 A 40 40 GLU CB C 40 28.401 29.321 -0.920 1
1 466 . 10 1 1 A 40 40 GLU N N 40 118.190 122.448 -4.258 1
1 467 . 10 1 1 A 41 41 GLY H H 41 8.199 8.423 -0.224 1
1 468 . 10 1 1 A 41 41 GLY HA2 H 41 4.039 3.760 0.279 1
1 469 . 10 1 1 A 41 41 GLY HA3 H 41 3.919 3.776 0.143 1
1 470 . 10 1 1 A 41 41 GLY C C 41 176.267 176.696 -0.429 1
1 471 . 10 1 1 A 41 41 GLY CA C 41 46.167 47.255 -1.088 1
1 472 . 10 1 1 A 41 41 GLY N N 41 108.663 108.640 0.023 1
1 473 . 10 1 1 A 42 42 VAL H H 42 7.662 7.604 0.058 1
1 474 . 10 1 1 A 42 42 VAL HA H 42 3.182 3.701 -0.519 1
1 479 . 10 1 1 A 42 42 VAL C C 42 177.014 178.234 -1.220 1
1 480 . 10 1 1 A 42 42 VAL CA C 42 67.030 65.622 1.408 1
1 481 . 10 1 1 A 42 42 VAL CB C 42 30.616 31.460 -0.844 1
1 483 . 10 1 1 A 42 42 VAL N N 42 123.036 121.057 1.979 1
1 484 . 10 1 1 A 43 43 TRP H H 43 7.726 7.990 -0.264 1
1 485 . 10 1 1 A 43 43 TRP HA H 43 4.640 4.383 0.257 1
1 494 . 10 1 1 A 43 43 TRP C C 43 179.135 179.253 -0.118 1
1 495 . 10 1 1 A 43 43 TRP CA C 43 59.208 60.170 -0.962 1
1 496 . 10 1 1 A 43 43 TRP CB C 43 29.033 28.940 0.093 1
1 502 . 10 1 1 A 43 43 TRP N N 43 118.730 119.569 -0.839 1
1 504 . 10 1 1 A 44 44 THR H H 44 8.545 8.465 0.080 1
1 505 . 10 1 1 A 44 44 THR HA H 44 4.223 4.140 0.083 1
1 510 . 10 1 1 A 44 44 THR C C 44 177.189 176.507 0.682 1
1 511 . 10 1 1 A 44 44 THR CA C 44 66.351 67.243 -0.892 1
1 512 . 10 1 1 A 44 44 THR CB C 44 68.921 68.294 0.627 1
1 514 . 10 1 1 A 44 44 THR N N 44 115.228 117.127 -1.899 1
1 515 . 10 1 1 A 45 45 LEU H H 45 7.961 8.152 -0.191 1
1 516 . 10 1 1 A 45 45 LEU HA H 45 4.299 4.214 0.085 1
1 523 . 10 1 1 A 45 45 LEU C C 45 178.301 179.102 -0.801 1
1 524 . 10 1 1 A 45 45 LEU CA C 45 57.759 58.332 -0.573 1
1 525 . 10 1 1 A 45 45 LEU CB C 45 42.462 41.874 0.588 1
1 527 . 10 1 1 A 45 45 LEU N N 45 123.256 120.860 2.396 1
1 528 . 10 1 1 A 46 46 LYS H H 46 8.645 7.995 0.650 1
1 529 . 10 1 1 A 46 46 LYS HA H 46 3.850 4.015 -0.165 1
1 536 . 10 1 1 A 46 46 LYS C C 46 177.716 178.219 -0.503 1
1 537 . 10 1 1 A 46 46 LYS CA C 46 60.731 59.035 1.696 1
1 538 . 10 1 1 A 46 46 LYS CB C 46 30.700 32.209 -1.509 1
1 540 . 10 1 1 A 46 46 LYS N N 46 119.178 117.883 1.295 1
1 541 . 10 1 1 A 47 47 ASP H H 47 7.711 8.137 -0.426 1
1 542 . 10 1 1 A 47 47 ASP HA H 47 4.539 4.416 0.123 1
1 545 . 10 1 1 A 47 47 ASP C C 47 178.755 178.457 0.298 1
1 546 . 10 1 1 A 47 47 ASP CA C 47 57.095 57.138 -0.043 1
1 547 . 10 1 1 A 47 47 ASP CB C 47 40.138 41.206 -1.068 1
1 548 . 10 1 1 A 47 47 ASP N N 47 117.538 119.564 -2.026 1
1 549 . 10 1 1 A 48 48 GLU H H 48 7.951 8.522 -0.571 1
1 550 . 10 1 1 A 48 48 GLU HA H 48 3.989 4.006 -0.017 1
1 555 . 10 1 1 A 48 48 GLU C C 48 179.165 179.581 -0.416 1
1 556 . 10 1 1 A 48 48 GLU CA C 48 59.143 58.892 0.251 1
1 557 . 10 1 1 A 48 48 GLU CB C 48 29.783 29.202 0.581 1
1 559 . 10 1 1 A 48 48 GLU N N 48 121.677 118.317 3.360 1
1 560 . 10 1 1 A 49 49 ILE H H 49 8.602 7.621 0.981 1
1 561 . 10 1 1 A 49 49 ILE HA H 49 3.834 3.689 0.145 1
1 568 . 10 1 1 A 49 49 ILE C C 49 177.379 178.150 -0.771 1
1 569 . 10 1 1 A 49 49 ILE CA C 49 64.044 64.728 -0.684 1
1 570 . 10 1 1 A 49 49 ILE CB C 49 37.896 36.543 1.353 1
1 572 . 10 1 1 A 49 49 ILE N N 49 120.326 121.188 -0.862 1
1 573 . 10 1 1 A 50 50 LYS H H 50 7.785 7.717 0.068 1
1 574 . 10 1 1 A 50 50 LYS HA H 50 4.057 4.042 0.015 1
1 583 . 10 1 1 A 50 50 LYS C C 50 177.848 179.457 -1.609 1
1 584 . 10 1 1 A 50 50 LYS CA C 50 59.629 59.328 0.301 1
1 585 . 10 1 1 A 50 50 LYS CB C 50 32.026 32.329 -0.303 1
1 587 . 10 1 1 A 50 50 LYS N N 50 119.242 120.363 -1.121 1
1 588 . 10 1 1 A 51 51 THR H H 51 7.609 7.767 -0.158 1
1 589 . 10 1 1 A 51 51 THR HA H 51 4.344 4.239 0.105 1
1 594 . 10 1 1 A 51 51 THR C C 51 175.360 175.406 -0.046 1
1 595 . 10 1 1 A 51 51 THR CA C 51 63.224 63.830 -0.606 1
1 596 . 10 1 1 A 51 51 THR CB C 51 69.781 70.073 -0.292 1
1 598 . 10 1 1 A 51 51 THR N N 51 109.871 111.191 -1.320 1
1 599 . 10 1 1 A 52 52 PHE H H 52 7.645 7.863 -0.218 1
1 600 . 10 1 1 A 52 52 PHE HA H 52 4.810 4.082 0.728 1
1 607 . 10 1 1 A 52 52 PHE C C 52 176.750 174.821 1.929 1
1 608 . 10 1 1 A 52 52 PHE CA C 52 56.960 58.849 -1.889 1
1 609 . 10 1 1 A 52 52 PHE CB C 52 37.622 37.789 -0.167 1
1 614 . 10 1 1 A 52 52 PHE N N 52 120.960 121.733 -0.773 1
1 615 . 10 1 1 A 53 53 THR H H 53 8.124 7.258 0.866 1
1 616 . 10 1 1 A 53 53 THR HA H 53 4.472 4.929 -0.457 1
1 621 . 10 1 1 A 53 53 THR C C 53 174.394 173.258 1.136 1
1 622 . 10 1 1 A 53 53 THR CA C 53 62.464 60.674 1.790 1
1 623 . 10 1 1 A 53 53 THR CB C 53 70.045 70.331 -0.286 1
1 625 . 10 1 1 A 53 53 THR N N 53 113.896 108.098 5.798 1
1 626 . 10 1 1 A 54 54 VAL H H 54 8.114 8.474 -0.360 1
1 627 . 10 1 1 A 54 54 VAL HA H 54 4.346 4.435 -0.089 1
1 632 . 10 1 1 A 54 54 VAL C C 54 176.209 176.175 0.034 1
1 633 . 10 1 1 A 54 54 VAL CA C 54 62.128 61.172 0.956 1
1 634 . 10 1 1 A 54 54 VAL CB C 54 32.694 32.135 0.559 1
1 636 . 10 1 1 A 54 54 VAL N N 54 122.467 126.560 -4.093 1
1 637 . 10 1 1 A 55 55 THR H H 55 8.362 8.054 0.308 1
1 638 . 10 1 1 A 55 55 THR HA H 55 4.409 4.474 -0.065 1
1 643 . 10 1 1 A 55 55 THR C C 55 173.648 174.826 -1.178 1
1 644 . 10 1 1 A 55 55 THR CA C 55 61.875 63.565 -1.690 1
1 645 . 10 1 1 A 55 55 THR CB C 55 69.860 70.401 -0.541 1
1 647 . 10 1 1 A 55 55 THR N N 55 118.624 119.480 -0.856 1
1 3 . 11 1 1 A 2 2 THR H H 2 8.109 8.741 -0.632 1
1 4 . 11 1 1 A 2 2 THR HA H 2 4.400 4.514 -0.114 1
1 9 . 11 1 1 A 2 2 THR C C 2 173.933 175.015 -1.082 1
1 10 . 11 1 1 A 2 2 THR CA C 2 61.842 61.530 0.312 1
1 11 . 11 1 1 A 2 2 THR CB C 2 69.793 70.976 -1.183 1
1 13 . 11 1 1 A 2 2 THR N N 2 128.532 120.443 8.089 1
1 14 . 11 1 1 A 3 3 TYR H H 3 8.424 8.867 -0.443 1
1 15 . 11 1 1 A 3 3 TYR HA H 3 4.434 4.542 -0.108 1
1 22 . 11 1 1 A 3 3 TYR C C 3 175.696 176.791 -1.095 1
1 23 . 11 1 1 A 3 3 TYR CA C 3 58.210 59.449 -1.239 1
1 24 . 11 1 1 A 3 3 TYR CB C 3 38.473 39.122 -0.649 1
1 27 . 11 1 1 A 3 3 TYR N N 3 123.975 123.100 0.875 1
1 28 . 11 1 1 A 4 4 LYS H H 4 8.160 7.739 0.421 1
1 29 . 11 1 1 A 4 4 LYS HA H 4 4.217 4.365 -0.148 1
1 36 . 11 1 1 A 4 4 LYS C C 4 175.989 176.196 -0.207 1
1 37 . 11 1 1 A 4 4 LYS CA C 4 56.657 55.140 1.517 1
1 38 . 11 1 1 A 4 4 LYS CB C 4 32.834 32.750 0.084 1
1 42 . 11 1 1 A 4 4 LYS N N 4 122.591 119.865 2.726 1
1 43 . 11 1 1 A 5 5 LEU H H 5 8.050 7.979 0.071 1
1 44 . 11 1 1 A 5 5 LEU HA H 5 4.325 3.965 0.360 1
1 50 . 11 1 1 A 5 5 LEU C C 5 177.233 175.608 1.625 1
1 51 . 11 1 1 A 5 5 LEU CA C 5 55.392 56.595 -1.203 1
1 52 . 11 1 1 A 5 5 LEU CB C 5 41.995 41.127 0.868 1
1 56 . 11 1 1 A 5 5 LEU N N 5 122.335 118.974 3.361 1
1 57 . 11 1 1 A 6 6 ILE H H 6 8.136 7.811 0.325 1
1 58 . 11 1 1 A 6 6 ILE HA H 6 4.230 4.263 -0.033 1
1 68 . 11 1 1 A 6 6 ILE C C 6 176.253 175.505 0.748 1
1 69 . 11 1 1 A 6 6 ILE CA C 6 61.256 60.979 0.277 1
1 70 . 11 1 1 A 6 6 ILE CB C 6 38.070 36.841 1.229 1
1 74 . 11 1 1 A 6 6 ILE N N 6 122.472 119.608 2.864 1
1 75 . 11 1 1 A 7 7 LEU H H 7 8.234 8.960 -0.726 1
1 76 . 11 1 1 A 7 7 LEU HA H 7 4.521 4.527 -0.006 1
1 82 . 11 1 1 A 7 7 LEU C C 7 177.087 177.156 -0.069 1
1 83 . 11 1 1 A 7 7 LEU CA C 7 55.268 55.802 -0.534 1
1 84 . 11 1 1 A 7 7 LEU CB C 7 42.738 43.546 -0.808 1
1 87 . 11 1 1 A 7 7 LEU N N 7 125.667 128.937 -3.270 1
1 88 . 11 1 1 A 8 8 ASN H H 8 8.195 7.969 0.226 1
1 89 . 11 1 1 A 8 8 ASN HA H 8 4.801 4.990 -0.189 1
1 94 . 11 1 1 A 8 8 ASN C C 8 175.345 175.773 -0.428 1
1 95 . 11 1 1 A 8 8 ASN CA C 8 52.541 52.180 0.361 1
1 96 . 11 1 1 A 8 8 ASN CB C 8 38.782 39.825 -1.043 1
1 97 . 11 1 1 A 8 8 ASN N N 8 118.150 115.613 2.537 1
1 99 . 11 1 1 A 9 9 LEU H H 9 8.434 7.902 0.532 1
1 100 . 11 1 1 A 9 9 LEU HA H 9 3.974 4.114 -0.140 1
1 109 . 11 1 1 A 9 9 LEU C C 9 177.160 178.820 -1.660 1
1 110 . 11 1 1 A 9 9 LEU CA C 9 58.418 56.840 1.578 1
1 111 . 11 1 1 A 9 9 LEU CB C 9 42.073 41.950 0.123 1
1 114 . 11 1 1 A 9 9 LEU N N 9 121.944 120.475 1.469 1
1 115 . 11 1 1 A 10 10 LYS H H 10 8.115 8.203 -0.088 1
1 116 . 11 1 1 A 10 10 LYS HA H 10 3.964 3.903 0.061 1
1 121 . 11 1 1 A 10 10 LYS C C 10 178.535 178.583 -0.048 1
1 122 . 11 1 1 A 10 10 LYS CA C 10 60.121 60.330 -0.209 1
1 123 . 11 1 1 A 10 10 LYS CB C 10 32.108 32.022 0.086 1
1 126 . 11 1 1 A 10 10 LYS N N 10 118.923 118.241 0.682 1
1 127 . 11 1 1 A 11 11 GLN H H 11 7.647 8.111 -0.464 1
1 128 . 11 1 1 A 11 11 GLN HA H 11 4.198 4.117 0.081 1
1 135 . 11 1 1 A 11 11 GLN C C 11 179.267 177.859 1.408 1
1 136 . 11 1 1 A 11 11 GLN CA C 11 59.331 58.742 0.589 1
1 137 . 11 1 1 A 11 11 GLN CB C 11 29.621 28.818 0.803 1
1 139 . 11 1 1 A 11 11 GLN N N 11 117.482 119.245 -1.763 1
1 141 . 11 1 1 A 12 12 ALA H H 12 8.431 7.797 0.634 1
1 142 . 11 1 1 A 12 12 ALA HA H 12 4.200 2.862 1.338 1
1 146 . 11 1 1 A 12 12 ALA C C 12 179.809 178.788 1.021 1
1 147 . 11 1 1 A 12 12 ALA CA C 12 55.484 54.593 0.891 1
1 148 . 11 1 1 A 12 12 ALA CB C 12 18.673 17.375 1.298 1
1 149 . 11 1 1 A 12 12 ALA N N 12 122.387 121.454 0.933 1
1 150 . 11 1 1 A 13 13 LYS H H 13 8.361 8.889 -0.528 1
1 151 . 11 1 1 A 13 13 LYS HA H 13 3.671 3.827 -0.156 1
1 158 . 11 1 1 A 13 13 LYS C C 13 177.701 179.647 -1.946 1
1 159 . 11 1 1 A 13 13 LYS CA C 13 60.773 59.613 1.160 1
1 160 . 11 1 1 A 13 13 LYS CB C 13 33.191 32.179 1.012 1
1 163 . 11 1 1 A 13 13 LYS N N 13 116.790 116.999 -0.209 1
1 164 . 11 1 1 A 14 14 GLU H H 14 7.953 7.895 0.058 1
1 165 . 11 1 1 A 14 14 GLU HA H 14 3.979 4.060 -0.081 1
1 170 . 11 1 1 A 14 14 GLU C C 14 178.067 179.480 -1.413 1
1 171 . 11 1 1 A 14 14 GLU CA C 14 59.824 59.028 0.796 1
1 172 . 11 1 1 A 14 14 GLU CB C 14 29.389 29.372 0.017 1
1 174 . 11 1 1 A 14 14 GLU N N 14 116.988 119.877 -2.889 1
1 175 . 11 1 1 A 15 15 GLU H H 15 8.442 7.778 0.664 1
1 176 . 11 1 1 A 15 15 GLU HA H 15 4.053 4.095 -0.042 1
1 179 . 11 1 1 A 15 15 GLU C C 15 178.374 179.245 -0.871 1
1 180 . 11 1 1 A 15 15 GLU CA C 15 58.307 59.031 -0.724 1
1 181 . 11 1 1 A 15 15 GLU CB C 15 29.030 28.857 0.173 1
1 183 . 11 1 1 A 15 15 GLU N N 15 115.659 120.698 -5.039 1
1 184 . 11 1 1 A 16 16 ALA H H 16 8.555 8.766 -0.211 1
1 185 . 11 1 1 A 16 16 ALA HA H 16 4.199 4.073 0.126 1
1 189 . 11 1 1 A 16 16 ALA C C 16 179.399 180.025 -0.626 1
1 190 . 11 1 1 A 16 16 ALA CA C 16 55.233 55.201 0.032 1
1 191 . 11 1 1 A 16 16 ALA CB C 16 17.853 18.380 -0.527 1
1 192 . 11 1 1 A 16 16 ALA N N 16 122.104 123.094 -0.990 1
1 193 . 11 1 1 A 17 17 ILE H H 17 8.719 7.750 0.969 1
1 194 . 11 1 1 A 17 17 ILE HA H 17 3.593 3.917 -0.324 1
1 201 . 11 1 1 A 17 17 ILE C C 17 177.131 177.698 -0.567 1
1 202 . 11 1 1 A 17 17 ILE CA C 17 66.796 64.222 2.574 1
1 203 . 11 1 1 A 17 17 ILE CB C 17 37.700 37.719 -0.019 1
1 205 . 11 1 1 A 17 17 ILE N N 17 117.581 118.937 -1.356 1
1 206 . 11 1 1 A 18 18 LYS H H 18 7.795 7.867 -0.072 1
1 207 . 11 1 1 A 18 18 LYS HA H 18 4.025 3.924 0.101 1
1 214 . 11 1 1 A 18 18 LYS C C 18 179.340 179.002 0.338 1
1 215 . 11 1 1 A 18 18 LYS CA C 18 59.829 59.831 -0.002 1
1 216 . 11 1 1 A 18 18 LYS CB C 18 32.079 32.295 -0.216 1
1 220 . 11 1 1 A 18 18 LYS N N 18 119.291 121.714 -2.423 1
1 221 . 11 1 1 A 19 19 GLU H H 19 8.331 8.499 -0.168 1
1 222 . 11 1 1 A 19 19 GLU HA H 19 4.197 4.050 0.147 1
1 227 . 11 1 1 A 19 19 GLU C C 19 179.926 179.635 0.291 1
1 228 . 11 1 1 A 19 19 GLU CA C 19 58.483 59.118 -0.635 1
1 229 . 11 1 1 A 19 19 GLU CB C 19 28.508 29.398 -0.890 1
1 231 . 11 1 1 A 19 19 GLU N N 19 118.386 118.835 -0.449 1
1 232 . 11 1 1 A 20 20 LEU H H 20 8.270 7.836 0.434 1
1 233 . 11 1 1 A 20 20 LEU HA H 20 4.198 4.108 0.090 1
1 240 . 11 1 1 A 20 20 LEU C C 20 180.511 179.119 1.392 1
1 241 . 11 1 1 A 20 20 LEU CA C 20 57.429 58.055 -0.626 1
1 242 . 11 1 1 A 20 20 LEU CB C 20 40.978 41.664 -0.686 1
1 243 . 11 1 1 A 20 20 LEU N N 20 119.581 121.473 -1.892 1
1 244 . 11 1 1 A 21 21 VAL H H 21 9.479 8.658 0.821 1
1 245 . 11 1 1 A 21 21 VAL HA H 21 3.991 3.566 0.425 1
1 250 . 11 1 1 A 21 21 VAL C C 21 180.906 177.472 3.434 1
1 251 . 11 1 1 A 21 21 VAL CA C 21 66.562 67.013 -0.451 1
1 252 . 11 1 1 A 21 21 VAL CB C 21 31.435 31.438 -0.003 1
1 254 . 11 1 1 A 21 21 VAL N N 21 125.030 119.348 5.682 1
1 255 . 11 1 1 A 22 22 ASP H H 22 8.401 8.609 -0.208 1
1 256 . 11 1 1 A 22 22 ASP HA H 22 4.541 4.419 0.122 1
1 259 . 11 1 1 A 22 22 ASP C C 22 177.204 177.433 -0.229 1
1 260 . 11 1 1 A 22 22 ASP CA C 22 57.019 56.489 0.530 1
1 261 . 11 1 1 A 22 22 ASP CB C 22 39.983 40.865 -0.882 1
1 262 . 11 1 1 A 22 22 ASP N N 22 122.749 120.647 2.102 1
1 263 . 11 1 1 A 23 23 ALA H H 23 7.485 8.121 -0.636 1
1 264 . 11 1 1 A 23 23 ALA HA H 23 4.522 4.387 0.135 1
1 268 . 11 1 1 A 23 23 ALA C C 23 177.965 178.376 -0.411 1
1 269 . 11 1 1 A 23 23 ALA CA C 23 52.130 52.840 -0.710 1
1 270 . 11 1 1 A 23 23 ALA CB C 23 18.673 20.644 -1.971 1
1 271 . 11 1 1 A 23 23 ALA N N 23 119.207 119.630 -0.423 1
1 272 . 11 1 1 A 24 24 GLY H H 24 8.150 8.214 -0.064 1
1 273 . 11 1 1 A 24 24 GLY HA2 H 24 4.183 3.958 0.225 1
1 274 . 11 1 1 A 24 24 GLY HA3 H 24 4.026 3.962 0.064 1
1 275 . 11 1 1 A 24 24 GLY C C 24 174.731 174.198 0.533 1
1 276 . 11 1 1 A 24 24 GLY CA C 24 45.916 46.605 -0.689 1
1 277 . 11 1 1 A 24 24 GLY N N 24 108.009 106.407 1.602 1
1 278 . 11 1 1 A 25 25 THR H H 25 7.786 7.626 0.160 1
1 279 . 11 1 1 A 25 25 THR HA H 25 4.151 4.712 -0.561 1
1 284 . 11 1 1 A 25 25 THR C C 25 173.194 173.653 -0.459 1
1 285 . 11 1 1 A 25 25 THR CA C 25 63.840 59.631 4.209 1
1 286 . 11 1 1 A 25 25 THR CB C 25 69.255 71.107 -1.852 1
1 288 . 11 1 1 A 25 25 THR N N 25 117.202 114.131 3.071 1
1 289 . 11 1 1 A 26 26 ALA H H 26 8.978 8.461 0.517 1
1 290 . 11 1 1 A 26 26 ALA HA H 26 4.391 4.296 0.095 1
1 294 . 11 1 1 A 26 26 ALA C C 26 178.935 178.725 0.210 1
1 295 . 11 1 1 A 26 26 ALA CA C 26 53.038 52.686 0.352 1
1 296 . 11 1 1 A 26 26 ALA CB C 26 18.566 19.002 -0.436 1
1 297 . 11 1 1 A 26 26 ALA N N 26 128.127 127.256 0.871 1
1 298 . 11 1 1 A 27 27 GLU H H 27 8.803 8.798 0.005 1
1 299 . 11 1 1 A 27 27 GLU HA H 27 3.966 4.090 -0.124 1
1 304 . 11 1 1 A 27 27 GLU C C 27 179.999 178.441 1.558 1
1 305 . 11 1 1 A 27 27 GLU CA C 27 59.465 59.050 0.415 1
1 306 . 11 1 1 A 27 27 GLU CB C 27 29.211 28.938 0.273 1
1 308 . 11 1 1 A 27 27 GLU N N 27 123.075 124.889 -1.814 1
1 309 . 11 1 1 A 28 28 LYS H H 28 8.455 8.227 0.228 1
1 310 . 11 1 1 A 28 28 LYS HA H 28 4.048 4.038 0.010 1
1 315 . 11 1 1 A 28 28 LYS C C 28 177.394 178.787 -1.393 1
1 316 . 11 1 1 A 28 28 LYS CA C 28 58.951 58.995 -0.044 1
1 317 . 11 1 1 A 28 28 LYS CB C 28 29.504 32.254 -2.750 1
1 320 . 11 1 1 A 28 28 LYS N N 28 119.368 119.572 -0.204 1
1 321 . 11 1 1 A 29 29 TYR H H 29 7.349 8.386 -1.037 1
1 322 . 11 1 1 A 29 29 TYR HA H 29 4.768 4.217 0.551 1
1 329 . 11 1 1 A 29 29 TYR C C 29 177.496 177.876 -0.380 1
1 330 . 11 1 1 A 29 29 TYR CA C 29 58.599 61.107 -2.508 1
1 331 . 11 1 1 A 29 29 TYR CB C 29 38.229 38.771 -0.542 1
1 336 . 11 1 1 A 29 29 TYR N N 29 117.039 120.576 -3.537 1
1 337 . 11 1 1 A 30 30 ILE H H 30 7.535 8.353 -0.818 1
1 338 . 11 1 1 A 30 30 ILE HA H 30 3.638 3.880 -0.242 1
1 348 . 11 1 1 A 30 30 ILE C C 30 178.462 177.717 0.745 1
1 349 . 11 1 1 A 30 30 ILE CA C 30 65.156 63.355 1.801 1
1 350 . 11 1 1 A 30 30 ILE CB C 30 36.867 37.279 -0.412 1
1 353 . 11 1 1 A 30 30 ILE N N 30 120.828 119.856 0.972 1
1 354 . 11 1 1 A 31 31 LYS H H 31 7.862 7.951 -0.089 1
1 355 . 11 1 1 A 31 31 LYS HA H 31 4.053 4.080 -0.027 1
1 360 . 11 1 1 A 31 31 LYS C C 31 178.243 178.487 -0.244 1
1 361 . 11 1 1 A 31 31 LYS CA C 31 58.796 58.875 -0.079 1
1 362 . 11 1 1 A 31 31 LYS CB C 31 31.723 31.919 -0.196 1
1 365 . 11 1 1 A 31 31 LYS N N 31 116.578 121.464 -4.886 1
1 366 . 11 1 1 A 32 32 LEU H H 32 7.353 7.713 -0.360 1
1 367 . 11 1 1 A 32 32 LEU HA H 32 4.128 4.060 0.068 1
1 373 . 11 1 1 A 32 32 LEU C C 32 180.028 178.918 1.110 1
1 374 . 11 1 1 A 32 32 LEU CA C 32 57.809 57.639 0.170 1
1 375 . 11 1 1 A 32 32 LEU CB C 32 41.196 41.572 -0.376 1
1 378 . 11 1 1 A 32 32 LEU N N 32 117.030 120.151 -3.121 1
1 379 . 11 1 1 A 33 33 ILE H H 33 7.494 7.658 -0.164 1
1 380 . 11 1 1 A 33 33 ILE HA H 33 3.760 3.931 -0.171 1
1 387 . 11 1 1 A 33 33 ILE C C 33 178.477 178.019 0.458 1
1 388 . 11 1 1 A 33 33 ILE CA C 33 62.407 63.610 -1.203 1
1 389 . 11 1 1 A 33 33 ILE CB C 33 35.407 37.276 -1.869 1
1 391 . 11 1 1 A 33 33 ILE N N 33 118.141 115.214 2.927 1
1 392 . 11 1 1 A 34 34 ALA H H 34 7.777 7.505 0.272 1
1 393 . 11 1 1 A 34 34 ALA HA H 34 4.031 4.025 0.006 1
1 397 . 11 1 1 A 34 34 ALA C C 34 178.857 178.429 0.428 1
1 398 . 11 1 1 A 34 34 ALA CA C 34 54.662 54.690 -0.028 1
1 399 . 11 1 1 A 34 34 ALA CB C 34 18.492 18.529 -0.037 1
1 400 . 11 1 1 A 34 34 ALA N N 34 119.230 123.956 -4.726 1
1 401 . 11 1 1 A 35 35 ASN H H 35 7.418 7.700 -0.282 1
1 402 . 11 1 1 A 35 35 ASN HA H 35 4.863 4.711 0.152 1
1 407 . 11 1 1 A 35 35 ASN C C 35 175.345 176.130 -0.785 1
1 408 . 11 1 1 A 35 35 ASN CA C 35 52.686 52.948 -0.262 1
1 409 . 11 1 1 A 35 35 ASN CB C 35 39.075 39.190 -0.115 1
1 410 . 11 1 1 A 35 35 ASN N N 35 113.022 115.461 -2.439 1
1 412 . 11 1 1 A 36 36 ALA H H 36 7.529 7.842 -0.313 1
1 413 . 11 1 1 A 36 36 ALA HA H 36 4.329 4.024 0.305 1
1 417 . 11 1 1 A 36 36 ALA C C 36 177.862 178.069 -0.207 1
1 418 . 11 1 1 A 36 36 ALA CA C 36 53.389 55.209 -1.820 1
1 419 . 11 1 1 A 36 36 ALA CB C 36 19.141 18.730 0.411 1
1 420 . 11 1 1 A 36 36 ALA N N 36 124.061 122.000 2.061 1
1 421 . 11 1 1 A 37 37 LYS H H 37 8.891 7.908 0.983 1
1 422 . 11 1 1 A 37 37 LYS HA H 37 4.450 4.005 0.445 1
1 427 . 11 1 1 A 37 37 LYS C C 37 176.758 175.781 0.977 1
1 428 . 11 1 1 A 37 37 LYS CA C 37 56.476 58.757 -2.281 1
1 429 . 11 1 1 A 37 37 LYS CB C 37 34.789 31.168 3.621 1
1 433 . 11 1 1 A 37 37 LYS N N 37 117.071 114.713 2.358 1
1 434 . 11 1 1 A 38 38 THR H H 38 7.406 8.352 -0.946 1
1 435 . 11 1 1 A 38 38 THR HA H 38 4.704 4.495 0.209 1
1 440 . 11 1 1 A 38 38 THR C C 38 173.984 175.864 -1.880 1
1 441 . 11 1 1 A 38 38 THR CA C 38 58.248 61.070 -2.822 1
1 442 . 11 1 1 A 38 38 THR CB C 38 72.884 70.338 2.546 1
1 444 . 11 1 1 A 38 38 THR N N 38 106.340 111.373 -5.033 1
1 445 . 11 1 1 A 39 39 VAL H H 39 8.967 8.682 0.285 1
1 446 . 11 1 1 A 39 39 VAL HA H 39 3.208 3.615 -0.407 1
1 451 . 11 1 1 A 39 39 VAL C C 39 176.735 177.614 -0.879 1
1 452 . 11 1 1 A 39 39 VAL CA C 39 67.315 67.067 0.248 1
1 453 . 11 1 1 A 39 39 VAL CB C 39 30.909 32.154 -1.245 1
1 455 . 11 1 1 A 39 39 VAL N N 39 122.904 123.119 -0.215 1
1 456 . 11 1 1 A 40 40 GLU H H 40 8.900 8.643 0.257 1
1 457 . 11 1 1 A 40 40 GLU HA H 40 4.076 4.218 -0.142 1
1 462 . 11 1 1 A 40 40 GLU C C 40 179.355 179.239 0.116 1
1 463 . 11 1 1 A 40 40 GLU CA C 40 60.061 59.661 0.400 1
1 464 . 11 1 1 A 40 40 GLU CB C 40 28.401 29.323 -0.922 1
1 466 . 11 1 1 A 40 40 GLU N N 40 118.190 120.070 -1.880 1
1 467 . 11 1 1 A 41 41 GLY H H 41 8.199 8.351 -0.152 1
1 468 . 11 1 1 A 41 41 GLY HA2 H 41 4.039 3.693 0.346 1
1 469 . 11 1 1 A 41 41 GLY HA3 H 41 3.919 3.716 0.203 1
1 470 . 11 1 1 A 41 41 GLY C C 41 176.267 176.559 -0.292 1
1 471 . 11 1 1 A 41 41 GLY CA C 41 46.167 47.183 -1.016 1
1 472 . 11 1 1 A 41 41 GLY N N 41 108.663 108.063 0.600 1
1 473 . 11 1 1 A 42 42 VAL H H 42 7.662 7.720 -0.058 1
1 474 . 11 1 1 A 42 42 VAL HA H 42 3.182 3.711 -0.529 1
1 479 . 11 1 1 A 42 42 VAL C C 42 177.014 178.346 -1.332 1
1 480 . 11 1 1 A 42 42 VAL CA C 42 67.030 65.622 1.408 1
1 481 . 11 1 1 A 42 42 VAL CB C 42 30.616 31.388 -0.772 1
1 483 . 11 1 1 A 42 42 VAL N N 42 123.036 121.099 1.937 1
1 484 . 11 1 1 A 43 43 TRP H H 43 7.726 7.721 0.005 1
1 485 . 11 1 1 A 43 43 TRP HA H 43 4.640 4.447 0.193 1
1 494 . 11 1 1 A 43 43 TRP C C 43 179.135 179.088 0.047 1
1 495 . 11 1 1 A 43 43 TRP CA C 43 59.208 59.979 -0.771 1
1 496 . 11 1 1 A 43 43 TRP CB C 43 29.033 29.095 -0.062 1
1 502 . 11 1 1 A 43 43 TRP N N 43 118.730 119.777 -1.047 1
1 504 . 11 1 1 A 44 44 THR H H 44 8.545 8.048 0.497 1
1 505 . 11 1 1 A 44 44 THR HA H 44 4.223 4.208 0.015 1
1 510 . 11 1 1 A 44 44 THR C C 44 177.189 176.948 0.241 1
1 511 . 11 1 1 A 44 44 THR CA C 44 66.351 65.304 1.047 1
1 512 . 11 1 1 A 44 44 THR CB C 44 68.921 68.790 0.131 1
1 514 . 11 1 1 A 44 44 THR N N 44 115.228 115.166 0.062 1
1 515 . 11 1 1 A 45 45 LEU H H 45 7.961 7.972 -0.011 1
1 516 . 11 1 1 A 45 45 LEU HA H 45 4.299 4.313 -0.014 1
1 523 . 11 1 1 A 45 45 LEU C C 45 178.301 179.088 -0.787 1
1 524 . 11 1 1 A 45 45 LEU CA C 45 57.759 58.395 -0.636 1
1 525 . 11 1 1 A 45 45 LEU CB C 45 42.462 41.803 0.659 1
1 527 . 11 1 1 A 45 45 LEU N N 45 123.256 121.746 1.510 1
1 528 . 11 1 1 A 46 46 LYS H H 46 8.645 8.011 0.634 1
1 529 . 11 1 1 A 46 46 LYS HA H 46 3.850 3.978 -0.128 1
1 536 . 11 1 1 A 46 46 LYS C C 46 177.716 178.504 -0.788 1
1 537 . 11 1 1 A 46 46 LYS CA C 46 60.731 59.078 1.653 1
1 538 . 11 1 1 A 46 46 LYS CB C 46 30.700 32.204 -1.504 1
1 540 . 11 1 1 A 46 46 LYS N N 46 119.178 117.921 1.257 1
1 541 . 11 1 1 A 47 47 ASP H H 47 7.711 8.105 -0.394 1
1 542 . 11 1 1 A 47 47 ASP HA H 47 4.539 4.436 0.103 1
1 545 . 11 1 1 A 47 47 ASP C C 47 178.755 179.000 -0.245 1
1 546 . 11 1 1 A 47 47 ASP CA C 47 57.095 56.875 0.220 1
1 547 . 11 1 1 A 47 47 ASP CB C 47 40.138 40.081 0.057 1
1 548 . 11 1 1 A 47 47 ASP N N 47 117.538 120.153 -2.615 1
1 549 . 11 1 1 A 48 48 GLU H H 48 7.951 8.293 -0.342 1
1 550 . 11 1 1 A 48 48 GLU HA H 48 3.989 4.014 -0.025 1
1 555 . 11 1 1 A 48 48 GLU C C 48 179.165 179.469 -0.304 1
1 556 . 11 1 1 A 48 48 GLU CA C 48 59.143 59.043 0.100 1
1 557 . 11 1 1 A 48 48 GLU CB C 48 29.783 29.145 0.638 1
1 559 . 11 1 1 A 48 48 GLU N N 48 121.677 120.194 1.483 1
1 560 . 11 1 1 A 49 49 ILE H H 49 8.602 7.373 1.229 1
1 561 . 11 1 1 A 49 49 ILE HA H 49 3.834 3.563 0.271 1
1 568 . 11 1 1 A 49 49 ILE C C 49 177.379 178.119 -0.740 1
1 569 . 11 1 1 A 49 49 ILE CA C 49 64.044 64.951 -0.907 1
1 570 . 11 1 1 A 49 49 ILE CB C 49 37.896 36.367 1.529 1
1 572 . 11 1 1 A 49 49 ILE N N 49 120.326 121.003 -0.677 1
1 573 . 11 1 1 A 50 50 LYS H H 50 7.785 7.701 0.084 1
1 574 . 11 1 1 A 50 50 LYS HA H 50 4.057 4.007 0.050 1
1 583 . 11 1 1 A 50 50 LYS C C 50 177.848 179.290 -1.442 1
1 584 . 11 1 1 A 50 50 LYS CA C 50 59.629 59.349 0.280 1
1 585 . 11 1 1 A 50 50 LYS CB C 50 32.026 32.283 -0.257 1
1 587 . 11 1 1 A 50 50 LYS N N 50 119.242 120.337 -1.095 1
1 588 . 11 1 1 A 51 51 THR H H 51 7.609 7.826 -0.217 1
1 589 . 11 1 1 A 51 51 THR HA H 51 4.344 4.312 0.032 1
1 594 . 11 1 1 A 51 51 THR C C 51 175.360 174.458 0.902 1
1 595 . 11 1 1 A 51 51 THR CA C 51 63.224 63.996 -0.772 1
1 596 . 11 1 1 A 51 51 THR CB C 51 69.781 69.273 0.508 1
1 598 . 11 1 1 A 51 51 THR N N 51 109.871 114.082 -4.211 1
1 599 . 11 1 1 A 52 52 PHE H H 52 7.645 8.147 -0.502 1
1 600 . 11 1 1 A 52 52 PHE HA H 52 4.810 4.342 0.468 1
1 607 . 11 1 1 A 52 52 PHE C C 52 176.750 175.414 1.336 1
1 608 . 11 1 1 A 52 52 PHE CA C 52 56.960 59.014 -2.054 1
1 609 . 11 1 1 A 52 52 PHE CB C 52 37.622 37.440 0.182 1
1 614 . 11 1 1 A 52 52 PHE N N 52 120.960 120.208 0.752 1
1 615 . 11 1 1 A 53 53 THR H H 53 8.124 7.849 0.275 1
1 616 . 11 1 1 A 53 53 THR HA H 53 4.472 4.051 0.421 1
1 621 . 11 1 1 A 53 53 THR C C 53 174.394 175.382 -0.988 1
1 622 . 11 1 1 A 53 53 THR CA C 53 62.464 62.949 -0.485 1
1 623 . 11 1 1 A 53 53 THR CB C 53 70.045 68.796 1.249 1
1 625 . 11 1 1 A 53 53 THR N N 53 113.896 114.550 -0.654 1
1 626 . 11 1 1 A 54 54 VAL H H 54 8.114 8.830 -0.716 1
1 627 . 11 1 1 A 54 54 VAL HA H 54 4.346 3.819 0.527 1
1 632 . 11 1 1 A 54 54 VAL C C 54 176.209 175.935 0.274 1
1 633 . 11 1 1 A 54 54 VAL CA C 54 62.128 62.979 -0.851 1
1 634 . 11 1 1 A 54 54 VAL CB C 54 32.694 30.726 1.968 1
1 636 . 11 1 1 A 54 54 VAL N N 54 122.467 128.007 -5.540 1
1 637 . 11 1 1 A 55 55 THR H H 55 8.362 7.296 1.066 1
1 638 . 11 1 1 A 55 55 THR HA H 55 4.409 3.960 0.449 1
1 643 . 11 1 1 A 55 55 THR C C 55 173.648 176.370 -2.722 1
1 644 . 11 1 1 A 55 55 THR CA C 55 61.875 64.928 -3.053 1
1 645 . 11 1 1 A 55 55 THR CB C 55 69.860 68.699 1.161 1
1 647 . 11 1 1 A 55 55 THR N N 55 118.624 113.969 4.655 1
1 3 . 12 1 1 A 2 2 THR H H 2 8.109 8.134 -0.025 1
1 4 . 12 1 1 A 2 2 THR HA H 2 4.400 4.538 -0.138 1
1 9 . 12 1 1 A 2 2 THR C C 2 173.933 174.835 -0.902 1
1 10 . 12 1 1 A 2 2 THR CA C 2 61.842 63.971 -2.129 1
1 11 . 12 1 1 A 2 2 THR CB C 2 69.793 70.117 -0.324 1
1 13 . 12 1 1 A 2 2 THR N N 2 128.532 114.796 13.736 1
1 14 . 12 1 1 A 3 3 TYR H H 3 8.424 8.016 0.408 1
1 15 . 12 1 1 A 3 3 TYR HA H 3 4.434 4.843 -0.409 1
1 22 . 12 1 1 A 3 3 TYR C C 3 175.696 174.711 0.985 1
1 23 . 12 1 1 A 3 3 TYR CA C 3 58.210 57.617 0.593 1
1 24 . 12 1 1 A 3 3 TYR CB C 3 38.473 39.571 -1.098 1
1 27 . 12 1 1 A 3 3 TYR N N 3 123.975 117.754 6.221 1
1 28 . 12 1 1 A 4 4 LYS H H 4 8.160 7.728 0.432 1
1 29 . 12 1 1 A 4 4 LYS HA H 4 4.217 4.988 -0.771 1
1 36 . 12 1 1 A 4 4 LYS C C 4 175.989 175.375 0.614 1
1 37 . 12 1 1 A 4 4 LYS CA C 4 56.657 54.684 1.973 1
1 38 . 12 1 1 A 4 4 LYS CB C 4 32.834 36.449 -3.615 1
1 42 . 12 1 1 A 4 4 LYS N N 4 122.591 118.146 4.445 1
1 43 . 12 1 1 A 5 5 LEU H H 5 8.050 8.607 -0.557 1
1 44 . 12 1 1 A 5 5 LEU HA H 5 4.325 4.722 -0.397 1
1 50 . 12 1 1 A 5 5 LEU C C 5 177.233 175.621 1.612 1
1 51 . 12 1 1 A 5 5 LEU CA C 5 55.392 54.752 0.640 1
1 52 . 12 1 1 A 5 5 LEU CB C 5 41.995 42.470 -0.475 1
1 56 . 12 1 1 A 5 5 LEU N N 5 122.335 121.530 0.805 1
1 57 . 12 1 1 A 6 6 ILE H H 6 8.136 8.761 -0.625 1
1 58 . 12 1 1 A 6 6 ILE HA H 6 4.230 4.099 0.131 1
1 68 . 12 1 1 A 6 6 ILE C C 6 176.253 175.338 0.915 1
1 69 . 12 1 1 A 6 6 ILE CA C 6 61.256 61.967 -0.711 1
1 70 . 12 1 1 A 6 6 ILE CB C 6 38.070 36.977 1.093 1
1 74 . 12 1 1 A 6 6 ILE N N 6 122.472 126.499 -4.027 1
1 75 . 12 1 1 A 7 7 LEU H H 7 8.234 8.727 -0.493 1
1 76 . 12 1 1 A 7 7 LEU HA H 7 4.521 4.359 0.162 1
1 82 . 12 1 1 A 7 7 LEU C C 7 177.087 178.272 -1.185 1
1 83 . 12 1 1 A 7 7 LEU CA C 7 55.268 56.813 -1.545 1
1 84 . 12 1 1 A 7 7 LEU CB C 7 42.738 42.110 0.628 1
1 87 . 12 1 1 A 7 7 LEU N N 7 125.667 129.801 -4.134 1
1 88 . 12 1 1 A 8 8 ASN H H 8 8.195 8.337 -0.142 1
1 89 . 12 1 1 A 8 8 ASN HA H 8 4.801 5.096 -0.295 1
1 94 . 12 1 1 A 8 8 ASN C C 8 175.345 176.731 -1.386 1
1 95 . 12 1 1 A 8 8 ASN CA C 8 52.541 53.949 -1.408 1
1 96 . 12 1 1 A 8 8 ASN CB C 8 38.782 40.609 -1.827 1
1 97 . 12 1 1 A 8 8 ASN N N 8 118.150 112.842 5.308 1
1 99 . 12 1 1 A 9 9 LEU H H 9 8.434 7.979 0.455 1
1 100 . 12 1 1 A 9 9 LEU HA H 9 3.974 4.146 -0.172 1
1 109 . 12 1 1 A 9 9 LEU C C 9 177.160 179.084 -1.924 1
1 110 . 12 1 1 A 9 9 LEU CA C 9 58.418 56.866 1.552 1
1 111 . 12 1 1 A 9 9 LEU CB C 9 42.073 41.846 0.227 1
1 114 . 12 1 1 A 9 9 LEU N N 9 121.944 121.114 0.830 1
1 115 . 12 1 1 A 10 10 LYS H H 10 8.115 8.192 -0.077 1
1 116 . 12 1 1 A 10 10 LYS HA H 10 3.964 3.897 0.067 1
1 121 . 12 1 1 A 10 10 LYS C C 10 178.535 178.533 0.002 1
1 122 . 12 1 1 A 10 10 LYS CA C 10 60.121 60.239 -0.118 1
1 123 . 12 1 1 A 10 10 LYS CB C 10 32.108 32.207 -0.099 1
1 126 . 12 1 1 A 10 10 LYS N N 10 118.923 117.503 1.420 1
1 127 . 12 1 1 A 11 11 GLN H H 11 7.647 8.131 -0.484 1
1 128 . 12 1 1 A 11 11 GLN HA H 11 4.198 4.113 0.085 1
1 135 . 12 1 1 A 11 11 GLN C C 11 179.267 177.914 1.353 1
1 136 . 12 1 1 A 11 11 GLN CA C 11 59.331 58.714 0.617 1
1 137 . 12 1 1 A 11 11 GLN CB C 11 29.621 28.735 0.886 1
1 139 . 12 1 1 A 11 11 GLN N N 11 117.482 119.302 -1.820 1
1 141 . 12 1 1 A 12 12 ALA H H 12 8.431 7.864 0.567 1
1 142 . 12 1 1 A 12 12 ALA HA H 12 4.200 2.158 2.042 1
1 146 . 12 1 1 A 12 12 ALA C C 12 179.809 179.062 0.747 1
1 147 . 12 1 1 A 12 12 ALA CA C 12 55.484 54.434 1.050 1
1 148 . 12 1 1 A 12 12 ALA CB C 12 18.673 17.067 1.606 1
1 149 . 12 1 1 A 12 12 ALA N N 12 122.387 121.576 0.811 1
1 150 . 12 1 1 A 13 13 LYS H H 13 8.361 8.685 -0.324 1
1 151 . 12 1 1 A 13 13 LYS HA H 13 3.671 3.830 -0.159 1
1 158 . 12 1 1 A 13 13 LYS C C 13 177.701 178.419 -0.718 1
1 159 . 12 1 1 A 13 13 LYS CA C 13 60.773 59.406 1.367 1
1 160 . 12 1 1 A 13 13 LYS CB C 13 33.191 32.430 0.761 1
1 163 . 12 1 1 A 13 13 LYS N N 13 116.790 117.087 -0.297 1
1 164 . 12 1 1 A 14 14 GLU H H 14 7.953 8.283 -0.330 1
1 165 . 12 1 1 A 14 14 GLU HA H 14 3.979 3.926 0.053 1
1 170 . 12 1 1 A 14 14 GLU C C 14 178.067 179.125 -1.058 1
1 171 . 12 1 1 A 14 14 GLU CA C 14 59.824 59.732 0.092 1
1 172 . 12 1 1 A 14 14 GLU CB C 14 29.389 28.955 0.434 1
1 174 . 12 1 1 A 14 14 GLU N N 14 116.988 120.012 -3.024 1
1 175 . 12 1 1 A 15 15 GLU H H 15 8.442 7.699 0.743 1
1 176 . 12 1 1 A 15 15 GLU HA H 15 4.053 4.048 0.005 1
1 179 . 12 1 1 A 15 15 GLU C C 15 178.374 179.377 -1.003 1
1 180 . 12 1 1 A 15 15 GLU CA C 15 58.307 58.953 -0.646 1
1 181 . 12 1 1 A 15 15 GLU CB C 15 29.030 28.956 0.074 1
1 183 . 12 1 1 A 15 15 GLU N N 15 115.659 119.350 -3.691 1
1 184 . 12 1 1 A 16 16 ALA H H 16 8.555 7.933 0.622 1
1 185 . 12 1 1 A 16 16 ALA HA H 16 4.199 4.000 0.199 1
1 189 . 12 1 1 A 16 16 ALA C C 16 179.399 179.913 -0.514 1
1 190 . 12 1 1 A 16 16 ALA CA C 16 55.233 55.114 0.119 1
1 191 . 12 1 1 A 16 16 ALA CB C 16 17.853 18.426 -0.573 1
1 192 . 12 1 1 A 16 16 ALA N N 16 122.104 122.575 -0.471 1
1 193 . 12 1 1 A 17 17 ILE H H 17 8.719 7.540 1.179 1
1 194 . 12 1 1 A 17 17 ILE HA H 17 3.593 3.692 -0.099 1
1 201 . 12 1 1 A 17 17 ILE C C 17 177.131 177.785 -0.654 1
1 202 . 12 1 1 A 17 17 ILE CA C 17 66.796 64.982 1.814 1
1 203 . 12 1 1 A 17 17 ILE CB C 17 37.700 37.678 0.022 1
1 205 . 12 1 1 A 17 17 ILE N N 17 117.581 118.746 -1.165 1
1 206 . 12 1 1 A 18 18 LYS H H 18 7.795 7.946 -0.151 1
1 207 . 12 1 1 A 18 18 LYS HA H 18 4.025 3.929 0.096 1
1 214 . 12 1 1 A 18 18 LYS C C 18 179.340 178.940 0.400 1
1 215 . 12 1 1 A 18 18 LYS CA C 18 59.829 59.821 0.008 1
1 216 . 12 1 1 A 18 18 LYS CB C 18 32.079 32.344 -0.265 1
1 220 . 12 1 1 A 18 18 LYS N N 18 119.291 120.873 -1.582 1
1 221 . 12 1 1 A 19 19 GLU H H 19 8.331 8.980 -0.649 1
1 222 . 12 1 1 A 19 19 GLU HA H 19 4.197 4.061 0.136 1
1 227 . 12 1 1 A 19 19 GLU C C 19 179.926 179.665 0.261 1
1 228 . 12 1 1 A 19 19 GLU CA C 19 58.483 59.084 -0.601 1
1 229 . 12 1 1 A 19 19 GLU CB C 19 28.508 29.442 -0.934 1
1 231 . 12 1 1 A 19 19 GLU N N 19 118.386 118.770 -0.384 1
1 232 . 12 1 1 A 20 20 LEU H H 20 8.270 7.682 0.588 1
1 233 . 12 1 1 A 20 20 LEU HA H 20 4.198 4.104 0.094 1
1 240 . 12 1 1 A 20 20 LEU C C 20 180.511 179.104 1.407 1
1 241 . 12 1 1 A 20 20 LEU CA C 20 57.429 58.047 -0.618 1
1 242 . 12 1 1 A 20 20 LEU CB C 20 40.978 41.365 -0.387 1
1 243 . 12 1 1 A 20 20 LEU N N 20 119.581 121.464 -1.883 1
1 244 . 12 1 1 A 21 21 VAL H H 21 9.479 8.504 0.975 1
1 245 . 12 1 1 A 21 21 VAL HA H 21 3.991 3.657 0.334 1
1 250 . 12 1 1 A 21 21 VAL C C 21 180.906 177.065 3.841 1
1 251 . 12 1 1 A 21 21 VAL CA C 21 66.562 67.014 -0.452 1
1 252 . 12 1 1 A 21 21 VAL CB C 21 31.435 31.499 -0.064 1
1 254 . 12 1 1 A 21 21 VAL N N 21 125.030 119.151 5.879 1
1 255 . 12 1 1 A 22 22 ASP H H 22 8.401 8.454 -0.053 1
1 256 . 12 1 1 A 22 22 ASP HA H 22 4.541 4.471 0.070 1
1 259 . 12 1 1 A 22 22 ASP C C 22 177.204 176.859 0.345 1
1 260 . 12 1 1 A 22 22 ASP CA C 22 57.019 55.914 1.105 1
1 261 . 12 1 1 A 22 22 ASP CB C 22 39.983 41.484 -1.501 1
1 262 . 12 1 1 A 22 22 ASP N N 22 122.749 119.556 3.193 1
1 263 . 12 1 1 A 23 23 ALA H H 23 7.485 8.216 -0.731 1
1 264 . 12 1 1 A 23 23 ALA HA H 23 4.522 4.405 0.117 1
1 268 . 12 1 1 A 23 23 ALA C C 23 177.965 178.304 -0.339 1
1 269 . 12 1 1 A 23 23 ALA CA C 23 52.130 52.737 -0.607 1
1 270 . 12 1 1 A 23 23 ALA CB C 23 18.673 20.614 -1.941 1
1 271 . 12 1 1 A 23 23 ALA N N 23 119.207 119.087 0.120 1
1 272 . 12 1 1 A 24 24 GLY H H 24 8.150 8.808 -0.658 1
1 273 . 12 1 1 A 24 24 GLY HA2 H 24 4.183 3.945 0.238 1
1 274 . 12 1 1 A 24 24 GLY HA3 H 24 4.026 3.947 0.079 1
1 275 . 12 1 1 A 24 24 GLY C C 24 174.731 173.657 1.074 1
1 276 . 12 1 1 A 24 24 GLY CA C 24 45.916 46.773 -0.857 1
1 277 . 12 1 1 A 24 24 GLY N N 24 108.009 106.097 1.912 1
1 278 . 12 1 1 A 25 25 THR H H 25 7.786 7.796 -0.010 1
1 279 . 12 1 1 A 25 25 THR HA H 25 4.151 5.002 -0.851 1
1 284 . 12 1 1 A 25 25 THR C C 25 173.194 172.953 0.241 1
1 285 . 12 1 1 A 25 25 THR CA C 25 63.840 59.738 4.102 1
1 286 . 12 1 1 A 25 25 THR CB C 25 69.255 71.307 -2.052 1
1 288 . 12 1 1 A 25 25 THR N N 25 117.202 113.793 3.409 1
1 289 . 12 1 1 A 26 26 ALA H H 26 8.978 8.369 0.609 1
1 290 . 12 1 1 A 26 26 ALA HA H 26 4.391 4.304 0.087 1
1 294 . 12 1 1 A 26 26 ALA C C 26 178.935 178.312 0.623 1
1 295 . 12 1 1 A 26 26 ALA CA C 26 53.038 52.409 0.629 1
1 296 . 12 1 1 A 26 26 ALA CB C 26 18.566 19.095 -0.529 1
1 297 . 12 1 1 A 26 26 ALA N N 26 128.127 127.549 0.578 1
1 298 . 12 1 1 A 27 27 GLU H H 27 8.803 8.660 0.143 1
1 299 . 12 1 1 A 27 27 GLU HA H 27 3.966 4.120 -0.154 1
1 304 . 12 1 1 A 27 27 GLU C C 27 179.999 178.558 1.441 1
1 305 . 12 1 1 A 27 27 GLU CA C 27 59.465 59.328 0.137 1
1 306 . 12 1 1 A 27 27 GLU CB C 27 29.211 29.298 -0.087 1
1 308 . 12 1 1 A 27 27 GLU N N 27 123.075 124.806 -1.731 1
1 309 . 12 1 1 A 28 28 LYS H H 28 8.455 8.287 0.168 1
1 310 . 12 1 1 A 28 28 LYS HA H 28 4.048 4.036 0.012 1
1 315 . 12 1 1 A 28 28 LYS C C 28 177.394 179.239 -1.845 1
1 316 . 12 1 1 A 28 28 LYS CA C 28 58.951 58.998 -0.047 1
1 317 . 12 1 1 A 28 28 LYS CB C 28 29.504 32.264 -2.760 1
1 320 . 12 1 1 A 28 28 LYS N N 28 119.368 120.373 -1.005 1
1 321 . 12 1 1 A 29 29 TYR H H 29 7.349 8.260 -0.911 1
1 322 . 12 1 1 A 29 29 TYR HA H 29 4.768 4.242 0.526 1
1 329 . 12 1 1 A 29 29 TYR C C 29 177.496 178.024 -0.528 1
1 330 . 12 1 1 A 29 29 TYR CA C 29 58.599 61.163 -2.564 1
1 331 . 12 1 1 A 29 29 TYR CB C 29 38.229 38.861 -0.632 1
1 336 . 12 1 1 A 29 29 TYR N N 29 117.039 120.558 -3.519 1
1 337 . 12 1 1 A 30 30 ILE H H 30 7.535 8.331 -0.796 1
1 338 . 12 1 1 A 30 30 ILE HA H 30 3.638 3.876 -0.238 1
1 348 . 12 1 1 A 30 30 ILE C C 30 178.462 177.725 0.737 1
1 349 . 12 1 1 A 30 30 ILE CA C 30 65.156 63.251 1.905 1
1 350 . 12 1 1 A 30 30 ILE CB C 30 36.867 37.368 -0.501 1
1 353 . 12 1 1 A 30 30 ILE N N 30 120.828 120.158 0.670 1
1 354 . 12 1 1 A 31 31 LYS H H 31 7.862 8.140 -0.278 1
1 355 . 12 1 1 A 31 31 LYS HA H 31 4.053 4.067 -0.014 1
1 360 . 12 1 1 A 31 31 LYS C C 31 178.243 178.738 -0.495 1
1 361 . 12 1 1 A 31 31 LYS CA C 31 58.796 58.778 0.018 1
1 362 . 12 1 1 A 31 31 LYS CB C 31 31.723 31.887 -0.164 1
1 365 . 12 1 1 A 31 31 LYS N N 31 116.578 121.481 -4.903 1
1 366 . 12 1 1 A 32 32 LEU H H 32 7.353 7.761 -0.408 1
1 367 . 12 1 1 A 32 32 LEU HA H 32 4.128 4.085 0.043 1
1 373 . 12 1 1 A 32 32 LEU C C 32 180.028 179.110 0.918 1
1 374 . 12 1 1 A 32 32 LEU CA C 32 57.809 57.788 0.021 1
1 375 . 12 1 1 A 32 32 LEU CB C 32 41.196 41.597 -0.401 1
1 378 . 12 1 1 A 32 32 LEU N N 32 117.030 120.175 -3.145 1
1 379 . 12 1 1 A 33 33 ILE H H 33 7.494 7.609 -0.115 1
1 380 . 12 1 1 A 33 33 ILE HA H 33 3.760 3.973 -0.213 1
1 387 . 12 1 1 A 33 33 ILE C C 33 178.477 177.878 0.599 1
1 388 . 12 1 1 A 33 33 ILE CA C 33 62.407 63.718 -1.311 1
1 389 . 12 1 1 A 33 33 ILE CB C 33 35.407 37.291 -1.884 1
1 391 . 12 1 1 A 33 33 ILE N N 33 118.141 115.423 2.718 1
1 392 . 12 1 1 A 34 34 ALA H H 34 7.777 7.504 0.273 1
1 393 . 12 1 1 A 34 34 ALA HA H 34 4.031 3.913 0.118 1
1 397 . 12 1 1 A 34 34 ALA C C 34 178.857 178.848 0.009 1
1 398 . 12 1 1 A 34 34 ALA CA C 34 54.662 54.858 -0.196 1
1 399 . 12 1 1 A 34 34 ALA CB C 34 18.492 18.554 -0.062 1
1 400 . 12 1 1 A 34 34 ALA N N 34 119.230 123.990 -4.760 1
1 401 . 12 1 1 A 35 35 ASN H H 35 7.418 7.708 -0.290 1
1 402 . 12 1 1 A 35 35 ASN HA H 35 4.863 4.764 0.099 1
1 407 . 12 1 1 A 35 35 ASN C C 35 175.345 175.381 -0.036 1
1 408 . 12 1 1 A 35 35 ASN CA C 35 52.686 53.253 -0.567 1
1 409 . 12 1 1 A 35 35 ASN CB C 35 39.075 39.526 -0.451 1
1 410 . 12 1 1 A 35 35 ASN N N 35 113.022 114.117 -1.095 1
1 412 . 12 1 1 A 36 36 ALA H H 36 7.529 8.022 -0.493 1
1 413 . 12 1 1 A 36 36 ALA HA H 36 4.329 4.043 0.286 1
1 417 . 12 1 1 A 36 36 ALA C C 36 177.862 176.805 1.057 1
1 418 . 12 1 1 A 36 36 ALA CA C 36 53.389 53.277 0.112 1
1 419 . 12 1 1 A 36 36 ALA CB C 36 19.141 19.137 0.004 1
1 420 . 12 1 1 A 36 36 ALA N N 36 124.061 122.934 1.127 1
1 421 . 12 1 1 A 37 37 LYS H H 37 8.891 8.933 -0.042 1
1 422 . 12 1 1 A 37 37 LYS HA H 37 4.450 4.407 0.043 1
1 427 . 12 1 1 A 37 37 LYS C C 37 176.758 176.054 0.704 1
1 428 . 12 1 1 A 37 37 LYS CA C 37 56.476 57.257 -0.781 1
1 429 . 12 1 1 A 37 37 LYS CB C 37 34.789 34.035 0.754 1
1 433 . 12 1 1 A 37 37 LYS N N 37 117.071 124.191 -7.120 1
1 434 . 12 1 1 A 38 38 THR H H 38 7.406 8.174 -0.768 1
1 435 . 12 1 1 A 38 38 THR HA H 38 4.704 4.588 0.116 1
1 440 . 12 1 1 A 38 38 THR C C 38 173.984 175.497 -1.513 1
1 441 . 12 1 1 A 38 38 THR CA C 38 58.248 62.196 -3.948 1
1 442 . 12 1 1 A 38 38 THR CB C 38 72.884 70.565 2.319 1
1 444 . 12 1 1 A 38 38 THR N N 38 106.340 113.071 -6.731 1
1 445 . 12 1 1 A 39 39 VAL H H 39 8.967 9.075 -0.108 1
1 446 . 12 1 1 A 39 39 VAL HA H 39 3.208 3.741 -0.533 1
1 451 . 12 1 1 A 39 39 VAL C C 39 176.735 177.459 -0.724 1
1 452 . 12 1 1 A 39 39 VAL CA C 39 67.315 65.756 1.559 1
1 453 . 12 1 1 A 39 39 VAL CB C 39 30.909 31.805 -0.896 1
1 455 . 12 1 1 A 39 39 VAL N N 39 122.904 125.420 -2.516 1
1 456 . 12 1 1 A 40 40 GLU H H 40 8.900 8.714 0.186 1
1 457 . 12 1 1 A 40 40 GLU HA H 40 4.076 4.260 -0.184 1
1 462 . 12 1 1 A 40 40 GLU C C 40 179.355 179.722 -0.367 1
1 463 . 12 1 1 A 40 40 GLU CA C 40 60.061 59.770 0.291 1
1 464 . 12 1 1 A 40 40 GLU CB C 40 28.401 29.019 -0.618 1
1 466 . 12 1 1 A 40 40 GLU N N 40 118.190 122.523 -4.333 1
1 467 . 12 1 1 A 41 41 GLY H H 41 8.199 8.389 -0.190 1
1 468 . 12 1 1 A 41 41 GLY HA2 H 41 4.039 3.717 0.322 1
1 469 . 12 1 1 A 41 41 GLY HA3 H 41 3.919 3.731 0.188 1
1 470 . 12 1 1 A 41 41 GLY C C 41 176.267 176.751 -0.484 1
1 471 . 12 1 1 A 41 41 GLY CA C 41 46.167 47.148 -0.981 1
1 472 . 12 1 1 A 41 41 GLY N N 41 108.663 108.903 -0.240 1
1 473 . 12 1 1 A 42 42 VAL H H 42 7.662 7.524 0.138 1
1 474 . 12 1 1 A 42 42 VAL HA H 42 3.182 3.704 -0.522 1
1 479 . 12 1 1 A 42 42 VAL C C 42 177.014 178.321 -1.307 1
1 480 . 12 1 1 A 42 42 VAL CA C 42 67.030 65.573 1.457 1
1 481 . 12 1 1 A 42 42 VAL CB C 42 30.616 31.617 -1.001 1
1 483 . 12 1 1 A 42 42 VAL N N 42 123.036 121.100 1.936 1
1 484 . 12 1 1 A 43 43 TRP H H 43 7.726 8.159 -0.433 1
1 485 . 12 1 1 A 43 43 TRP HA H 43 4.640 4.348 0.292 1
1 494 . 12 1 1 A 43 43 TRP C C 43 179.135 179.271 -0.136 1
1 495 . 12 1 1 A 43 43 TRP CA C 43 59.208 60.165 -0.957 1
1 496 . 12 1 1 A 43 43 TRP CB C 43 29.033 28.956 0.077 1
1 502 . 12 1 1 A 43 43 TRP N N 43 118.730 119.710 -0.980 1
1 504 . 12 1 1 A 44 44 THR H H 44 8.545 8.486 0.059 1
1 505 . 12 1 1 A 44 44 THR HA H 44 4.223 4.137 0.086 1
1 510 . 12 1 1 A 44 44 THR C C 44 177.189 176.487 0.702 1
1 511 . 12 1 1 A 44 44 THR CA C 44 66.351 67.141 -0.790 1
1 512 . 12 1 1 A 44 44 THR CB C 44 68.921 68.323 0.598 1
1 514 . 12 1 1 A 44 44 THR N N 44 115.228 117.007 -1.779 1
1 515 . 12 1 1 A 45 45 LEU H H 45 7.961 8.049 -0.088 1
1 516 . 12 1 1 A 45 45 LEU HA H 45 4.299 3.817 0.482 1
1 523 . 12 1 1 A 45 45 LEU C C 45 178.301 179.054 -0.753 1
1 524 . 12 1 1 A 45 45 LEU CA C 45 57.759 58.290 -0.531 1
1 525 . 12 1 1 A 45 45 LEU CB C 45 42.462 41.850 0.612 1
1 527 . 12 1 1 A 45 45 LEU N N 45 123.256 120.882 2.374 1
1 528 . 12 1 1 A 46 46 LYS H H 46 8.645 8.011 0.634 1
1 529 . 12 1 1 A 46 46 LYS HA H 46 3.850 3.989 -0.139 1
1 536 . 12 1 1 A 46 46 LYS C C 46 177.716 178.532 -0.816 1
1 537 . 12 1 1 A 46 46 LYS CA C 46 60.731 59.013 1.718 1
1 538 . 12 1 1 A 46 46 LYS CB C 46 30.700 32.198 -1.498 1
1 540 . 12 1 1 A 46 46 LYS N N 46 119.178 117.861 1.317 1
1 541 . 12 1 1 A 47 47 ASP H H 47 7.711 8.146 -0.435 1
1 542 . 12 1 1 A 47 47 ASP HA H 47 4.539 4.430 0.109 1
1 545 . 12 1 1 A 47 47 ASP C C 47 178.755 179.268 -0.513 1
1 546 . 12 1 1 A 47 47 ASP CA C 47 57.095 56.768 0.327 1
1 547 . 12 1 1 A 47 47 ASP CB C 47 40.138 40.228 -0.090 1
1 548 . 12 1 1 A 47 47 ASP N N 47 117.538 119.840 -2.302 1
1 549 . 12 1 1 A 48 48 GLU H H 48 7.951 8.417 -0.466 1
1 550 . 12 1 1 A 48 48 GLU HA H 48 3.989 4.009 -0.020 1
1 555 . 12 1 1 A 48 48 GLU C C 48 179.165 179.083 0.082 1
1 556 . 12 1 1 A 48 48 GLU CA C 48 59.143 58.828 0.315 1
1 557 . 12 1 1 A 48 48 GLU CB C 48 29.783 28.975 0.808 1
1 559 . 12 1 1 A 48 48 GLU N N 48 121.677 120.283 1.394 1
1 560 . 12 1 1 A 49 49 ILE H H 49 8.602 7.471 1.131 1
1 561 . 12 1 1 A 49 49 ILE HA H 49 3.834 3.728 0.106 1
1 568 . 12 1 1 A 49 49 ILE C C 49 177.379 178.642 -1.263 1
1 569 . 12 1 1 A 49 49 ILE CA C 49 64.044 64.421 -0.377 1
1 570 . 12 1 1 A 49 49 ILE CB C 49 37.896 37.089 0.807 1
1 572 . 12 1 1 A 49 49 ILE N N 49 120.326 121.710 -1.384 1
1 573 . 12 1 1 A 50 50 LYS H H 50 7.785 7.663 0.122 1
1 574 . 12 1 1 A 50 50 LYS HA H 50 4.057 4.170 -0.113 1
1 583 . 12 1 1 A 50 50 LYS C C 50 177.848 177.992 -0.144 1
1 584 . 12 1 1 A 50 50 LYS CA C 50 59.629 59.010 0.619 1
1 585 . 12 1 1 A 50 50 LYS CB C 50 32.026 32.317 -0.291 1
1 587 . 12 1 1 A 50 50 LYS N N 50 119.242 120.081 -0.839 1
1 588 . 12 1 1 A 51 51 THR H H 51 7.609 7.541 0.068 1
1 589 . 12 1 1 A 51 51 THR HA H 51 4.344 4.462 -0.118 1
1 594 . 12 1 1 A 51 51 THR C C 51 175.360 175.823 -0.463 1
1 595 . 12 1 1 A 51 51 THR CA C 51 63.224 62.450 0.774 1
1 596 . 12 1 1 A 51 51 THR CB C 51 69.781 70.994 -1.213 1
1 598 . 12 1 1 A 51 51 THR N N 51 109.871 108.488 1.383 1
1 599 . 12 1 1 A 52 52 PHE H H 52 7.645 8.381 -0.736 1
1 600 . 12 1 1 A 52 52 PHE HA H 52 4.810 4.395 0.415 1
1 607 . 12 1 1 A 52 52 PHE C C 52 176.750 174.351 2.399 1
1 608 . 12 1 1 A 52 52 PHE CA C 52 56.960 59.189 -2.229 1
1 609 . 12 1 1 A 52 52 PHE CB C 52 37.622 38.060 -0.438 1
1 614 . 12 1 1 A 52 52 PHE N N 52 120.960 121.165 -0.205 1
1 615 . 12 1 1 A 53 53 THR H H 53 8.124 7.670 0.454 1
1 616 . 12 1 1 A 53 53 THR HA H 53 4.472 4.486 -0.014 1
1 621 . 12 1 1 A 53 53 THR C C 53 174.394 172.033 2.361 1
1 622 . 12 1 1 A 53 53 THR CA C 53 62.464 60.659 1.805 1
1 623 . 12 1 1 A 53 53 THR CB C 53 70.045 69.505 0.540 1
1 625 . 12 1 1 A 53 53 THR N N 53 113.896 112.647 1.249 1
1 626 . 12 1 1 A 54 54 VAL H H 54 8.114 8.330 -0.216 1
1 627 . 12 1 1 A 54 54 VAL HA H 54 4.346 4.531 -0.185 1
1 632 . 12 1 1 A 54 54 VAL C C 54 176.209 175.373 0.836 1
1 633 . 12 1 1 A 54 54 VAL CA C 54 62.128 61.095 1.033 1
1 634 . 12 1 1 A 54 54 VAL CB C 54 32.694 32.248 0.446 1
1 636 . 12 1 1 A 54 54 VAL N N 54 122.467 123.481 -1.014 1
1 637 . 12 1 1 A 55 55 THR H H 55 8.362 7.412 0.950 1
1 638 . 12 1 1 A 55 55 THR HA H 55 4.409 4.638 -0.229 1
1 643 . 12 1 1 A 55 55 THR C C 55 173.648 173.805 -0.157 1
1 644 . 12 1 1 A 55 55 THR CA C 55 61.875 60.855 1.020 1
1 645 . 12 1 1 A 55 55 THR CB C 55 69.860 70.119 -0.259 1
1 647 . 12 1 1 A 55 55 THR N N 55 118.624 117.438 1.186 1
1 3 . 13 1 1 A 2 2 THR H H 2 8.109 8.626 -0.517 1
1 4 . 13 1 1 A 2 2 THR HA H 2 4.400 4.037 0.363 1
1 9 . 13 1 1 A 2 2 THR C C 2 173.933 173.484 0.449 1
1 10 . 13 1 1 A 2 2 THR CA C 2 61.842 63.211 -1.369 1
1 11 . 13 1 1 A 2 2 THR CB C 2 69.793 66.563 3.230 1
1 13 . 13 1 1 A 2 2 THR N N 2 128.532 117.857 10.675 1
1 14 . 13 1 1 A 3 3 TYR H H 3 8.424 7.748 0.676 1
1 15 . 13 1 1 A 3 3 TYR HA H 3 4.434 4.625 -0.191 1
1 22 . 13 1 1 A 3 3 TYR C C 3 175.696 175.140 0.556 1
1 23 . 13 1 1 A 3 3 TYR CA C 3 58.210 58.181 0.029 1
1 24 . 13 1 1 A 3 3 TYR CB C 3 38.473 39.060 -0.587 1
1 27 . 13 1 1 A 3 3 TYR N N 3 123.975 121.420 2.555 1
1 28 . 13 1 1 A 4 4 LYS H H 4 8.160 8.474 -0.314 1
1 29 . 13 1 1 A 4 4 LYS HA H 4 4.217 5.016 -0.799 1
1 36 . 13 1 1 A 4 4 LYS C C 4 175.989 175.018 0.971 1
1 37 . 13 1 1 A 4 4 LYS CA C 4 56.657 54.534 2.123 1
1 38 . 13 1 1 A 4 4 LYS CB C 4 32.834 36.705 -3.871 1
1 42 . 13 1 1 A 4 4 LYS N N 4 122.591 120.005 2.586 1
1 43 . 13 1 1 A 5 5 LEU H H 5 8.050 8.630 -0.580 1
1 44 . 13 1 1 A 5 5 LEU HA H 5 4.325 4.831 -0.506 1
1 50 . 13 1 1 A 5 5 LEU C C 5 177.233 175.673 1.560 1
1 51 . 13 1 1 A 5 5 LEU CA C 5 55.392 53.395 1.997 1
1 52 . 13 1 1 A 5 5 LEU CB C 5 41.995 44.980 -2.985 1
1 56 . 13 1 1 A 5 5 LEU N N 5 122.335 120.912 1.423 1
1 57 . 13 1 1 A 6 6 ILE H H 6 8.136 8.777 -0.641 1
1 58 . 13 1 1 A 6 6 ILE HA H 6 4.230 4.068 0.162 1
1 68 . 13 1 1 A 6 6 ILE C C 6 176.253 175.406 0.847 1
1 69 . 13 1 1 A 6 6 ILE CA C 6 61.256 61.945 -0.689 1
1 70 . 13 1 1 A 6 6 ILE CB C 6 38.070 36.555 1.515 1
1 74 . 13 1 1 A 6 6 ILE N N 6 122.472 123.273 -0.801 1
1 75 . 13 1 1 A 7 7 LEU H H 7 8.234 8.194 0.040 1
1 76 . 13 1 1 A 7 7 LEU HA H 7 4.521 4.228 0.293 1
1 82 . 13 1 1 A 7 7 LEU C C 7 177.087 177.911 -0.824 1
1 83 . 13 1 1 A 7 7 LEU CA C 7 55.268 57.424 -2.156 1
1 84 . 13 1 1 A 7 7 LEU CB C 7 42.738 41.981 0.757 1
1 87 . 13 1 1 A 7 7 LEU N N 7 125.667 129.342 -3.675 1
1 88 . 13 1 1 A 8 8 ASN H H 8 8.195 8.141 0.054 1
1 89 . 13 1 1 A 8 8 ASN HA H 8 4.801 5.096 -0.295 1
1 94 . 13 1 1 A 8 8 ASN C C 8 175.345 175.948 -0.603 1
1 95 . 13 1 1 A 8 8 ASN CA C 8 52.541 52.090 0.451 1
1 96 . 13 1 1 A 8 8 ASN CB C 8 38.782 39.545 -0.763 1
1 97 . 13 1 1 A 8 8 ASN N N 8 118.150 114.896 3.254 1
1 99 . 13 1 1 A 9 9 LEU H H 9 8.434 7.974 0.460 1
1 100 . 13 1 1 A 9 9 LEU HA H 9 3.974 4.296 -0.322 1
1 109 . 13 1 1 A 9 9 LEU C C 9 177.160 178.950 -1.790 1
1 110 . 13 1 1 A 9 9 LEU CA C 9 58.418 56.873 1.545 1
1 111 . 13 1 1 A 9 9 LEU CB C 9 42.073 41.861 0.212 1
1 114 . 13 1 1 A 9 9 LEU N N 9 121.944 122.690 -0.746 1
1 115 . 13 1 1 A 10 10 LYS H H 10 8.115 8.362 -0.247 1
1 116 . 13 1 1 A 10 10 LYS HA H 10 3.964 3.927 0.037 1
1 121 . 13 1 1 A 10 10 LYS C C 10 178.535 178.605 -0.070 1
1 122 . 13 1 1 A 10 10 LYS CA C 10 60.121 59.929 0.192 1
1 123 . 13 1 1 A 10 10 LYS CB C 10 32.108 32.154 -0.046 1
1 126 . 13 1 1 A 10 10 LYS N N 10 118.923 119.511 -0.588 1
1 127 . 13 1 1 A 11 11 GLN H H 11 7.647 8.149 -0.502 1
1 128 . 13 1 1 A 11 11 GLN HA H 11 4.198 4.087 0.111 1
1 135 . 13 1 1 A 11 11 GLN C C 11 179.267 177.819 1.448 1
1 136 . 13 1 1 A 11 11 GLN CA C 11 59.331 58.756 0.575 1
1 137 . 13 1 1 A 11 11 GLN CB C 11 29.621 28.739 0.882 1
1 139 . 13 1 1 A 11 11 GLN N N 11 117.482 119.084 -1.602 1
1 141 . 13 1 1 A 12 12 ALA H H 12 8.431 7.891 0.540 1
1 142 . 13 1 1 A 12 12 ALA HA H 12 4.200 2.941 1.259 1
1 146 . 13 1 1 A 12 12 ALA C C 12 179.809 178.954 0.855 1
1 147 . 13 1 1 A 12 12 ALA CA C 12 55.484 54.807 0.677 1
1 148 . 13 1 1 A 12 12 ALA CB C 12 18.673 17.852 0.821 1
1 149 . 13 1 1 A 12 12 ALA N N 12 122.387 121.559 0.828 1
1 150 . 13 1 1 A 13 13 LYS H H 13 8.361 8.919 -0.558 1
1 151 . 13 1 1 A 13 13 LYS HA H 13 3.671 3.955 -0.284 1
1 158 . 13 1 1 A 13 13 LYS C C 13 177.701 178.717 -1.016 1
1 159 . 13 1 1 A 13 13 LYS CA C 13 60.773 59.496 1.277 1
1 160 . 13 1 1 A 13 13 LYS CB C 13 33.191 32.102 1.089 1
1 163 . 13 1 1 A 13 13 LYS N N 13 116.790 117.054 -0.264 1
1 164 . 13 1 1 A 14 14 GLU H H 14 7.953 7.772 0.181 1
1 165 . 13 1 1 A 14 14 GLU HA H 14 3.979 4.038 -0.059 1
1 170 . 13 1 1 A 14 14 GLU C C 14 178.067 179.045 -0.978 1
1 171 . 13 1 1 A 14 14 GLU CA C 14 59.824 59.052 0.772 1
1 172 . 13 1 1 A 14 14 GLU CB C 14 29.389 29.072 0.317 1
1 174 . 13 1 1 A 14 14 GLU N N 14 116.988 119.336 -2.348 1
1 175 . 13 1 1 A 15 15 GLU H H 15 8.442 7.778 0.664 1
1 176 . 13 1 1 A 15 15 GLU HA H 15 4.053 3.941 0.112 1
1 179 . 13 1 1 A 15 15 GLU C C 15 178.374 178.743 -0.369 1
1 180 . 13 1 1 A 15 15 GLU CA C 15 58.307 58.838 -0.531 1
1 181 . 13 1 1 A 15 15 GLU CB C 15 29.030 28.939 0.091 1
1 183 . 13 1 1 A 15 15 GLU N N 15 115.659 119.598 -3.939 1
1 184 . 13 1 1 A 16 16 ALA H H 16 8.555 8.673 -0.118 1
1 185 . 13 1 1 A 16 16 ALA HA H 16 4.199 3.945 0.254 1
1 189 . 13 1 1 A 16 16 ALA C C 16 179.399 180.014 -0.615 1
1 190 . 13 1 1 A 16 16 ALA CA C 16 55.233 55.142 0.091 1
1 191 . 13 1 1 A 16 16 ALA CB C 16 17.853 18.336 -0.483 1
1 192 . 13 1 1 A 16 16 ALA N N 16 122.104 122.598 -0.494 1
1 193 . 13 1 1 A 17 17 ILE H H 17 8.719 7.689 1.030 1
1 194 . 13 1 1 A 17 17 ILE HA H 17 3.593 3.875 -0.282 1
1 201 . 13 1 1 A 17 17 ILE C C 17 177.131 177.644 -0.513 1
1 202 . 13 1 1 A 17 17 ILE CA C 17 66.796 64.304 2.492 1
1 203 . 13 1 1 A 17 17 ILE CB C 17 37.700 37.786 -0.086 1
1 205 . 13 1 1 A 17 17 ILE N N 17 117.581 118.922 -1.341 1
1 206 . 13 1 1 A 18 18 LYS H H 18 7.795 7.830 -0.035 1
1 207 . 13 1 1 A 18 18 LYS HA H 18 4.025 3.891 0.134 1
1 214 . 13 1 1 A 18 18 LYS C C 18 179.340 178.962 0.378 1
1 215 . 13 1 1 A 18 18 LYS CA C 18 59.829 59.745 0.084 1
1 216 . 13 1 1 A 18 18 LYS CB C 18 32.079 32.410 -0.331 1
1 220 . 13 1 1 A 18 18 LYS N N 18 119.291 121.670 -2.379 1
1 221 . 13 1 1 A 19 19 GLU H H 19 8.331 8.180 0.151 1
1 222 . 13 1 1 A 19 19 GLU HA H 19 4.197 4.408 -0.211 1
1 227 . 13 1 1 A 19 19 GLU C C 19 179.926 179.609 0.317 1
1 228 . 13 1 1 A 19 19 GLU CA C 19 58.483 58.998 -0.515 1
1 229 . 13 1 1 A 19 19 GLU CB C 19 28.508 29.266 -0.758 1
1 231 . 13 1 1 A 19 19 GLU N N 19 118.386 118.719 -0.333 1
1 232 . 13 1 1 A 20 20 LEU H H 20 8.270 7.764 0.506 1
1 233 . 13 1 1 A 20 20 LEU HA H 20 4.198 4.052 0.146 1
1 240 . 13 1 1 A 20 20 LEU C C 20 180.511 179.242 1.269 1
1 241 . 13 1 1 A 20 20 LEU CA C 20 57.429 58.010 -0.581 1
1 242 . 13 1 1 A 20 20 LEU CB C 20 40.978 41.291 -0.313 1
1 243 . 13 1 1 A 20 20 LEU N N 20 119.581 120.809 -1.228 1
1 244 . 13 1 1 A 21 21 VAL H H 21 9.479 8.473 1.006 1
1 245 . 13 1 1 A 21 21 VAL HA H 21 3.991 3.657 0.334 1
1 250 . 13 1 1 A 21 21 VAL C C 21 180.906 177.067 3.839 1
1 251 . 13 1 1 A 21 21 VAL CA C 21 66.562 66.624 -0.062 1
1 252 . 13 1 1 A 21 21 VAL CB C 21 31.435 31.619 -0.184 1
1 254 . 13 1 1 A 21 21 VAL N N 21 125.030 119.146 5.884 1
1 255 . 13 1 1 A 22 22 ASP H H 22 8.401 8.798 -0.397 1
1 256 . 13 1 1 A 22 22 ASP HA H 22 4.541 4.507 0.034 1
1 259 . 13 1 1 A 22 22 ASP C C 22 177.204 176.749 0.455 1
1 260 . 13 1 1 A 22 22 ASP CA C 22 57.019 55.214 1.805 1
1 261 . 13 1 1 A 22 22 ASP CB C 22 39.983 40.774 -0.791 1
1 262 . 13 1 1 A 22 22 ASP N N 22 122.749 117.929 4.820 1
1 263 . 13 1 1 A 23 23 ALA H H 23 7.485 8.104 -0.619 1
1 264 . 13 1 1 A 23 23 ALA HA H 23 4.522 4.480 0.042 1
1 268 . 13 1 1 A 23 23 ALA C C 23 177.965 178.156 -0.191 1
1 269 . 13 1 1 A 23 23 ALA CA C 23 52.130 52.818 -0.688 1
1 270 . 13 1 1 A 23 23 ALA CB C 23 18.673 21.209 -2.536 1
1 271 . 13 1 1 A 23 23 ALA N N 23 119.207 120.414 -1.207 1
1 272 . 13 1 1 A 24 24 GLY H H 24 8.150 7.786 0.364 1
1 273 . 13 1 1 A 24 24 GLY HA2 H 24 4.183 3.995 0.188 1
1 274 . 13 1 1 A 24 24 GLY HA3 H 24 4.026 3.997 0.029 1
1 275 . 13 1 1 A 24 24 GLY C C 24 174.731 173.957 0.774 1
1 276 . 13 1 1 A 24 24 GLY CA C 24 45.916 45.819 0.097 1
1 277 . 13 1 1 A 24 24 GLY N N 24 108.009 106.862 1.147 1
1 278 . 13 1 1 A 25 25 THR H H 25 7.786 8.540 -0.754 1
1 279 . 13 1 1 A 25 25 THR HA H 25 4.151 4.272 -0.121 1
1 284 . 13 1 1 A 25 25 THR C C 25 173.194 173.595 -0.401 1
1 285 . 13 1 1 A 25 25 THR CA C 25 63.840 63.338 0.502 1
1 286 . 13 1 1 A 25 25 THR CB C 25 69.255 68.687 0.568 1
1 288 . 13 1 1 A 25 25 THR N N 25 117.202 118.236 -1.034 1
1 289 . 13 1 1 A 26 26 ALA H H 26 8.978 8.332 0.646 1
1 290 . 13 1 1 A 26 26 ALA HA H 26 4.391 4.299 0.092 1
1 294 . 13 1 1 A 26 26 ALA C C 26 178.935 178.854 0.081 1
1 295 . 13 1 1 A 26 26 ALA CA C 26 53.038 52.033 1.005 1
1 296 . 13 1 1 A 26 26 ALA CB C 26 18.566 18.747 -0.181 1
1 297 . 13 1 1 A 26 26 ALA N N 26 128.127 127.328 0.799 1
1 298 . 13 1 1 A 27 27 GLU H H 27 8.803 8.797 0.006 1
1 299 . 13 1 1 A 27 27 GLU HA H 27 3.966 4.074 -0.108 1
1 304 . 13 1 1 A 27 27 GLU C C 27 179.999 178.551 1.448 1
1 305 . 13 1 1 A 27 27 GLU CA C 27 59.465 58.998 0.467 1
1 306 . 13 1 1 A 27 27 GLU CB C 27 29.211 28.933 0.278 1
1 308 . 13 1 1 A 27 27 GLU N N 27 123.075 124.812 -1.737 1
1 309 . 13 1 1 A 28 28 LYS H H 28 8.455 8.256 0.199 1
1 310 . 13 1 1 A 28 28 LYS HA H 28 4.048 4.084 -0.036 1
1 315 . 13 1 1 A 28 28 LYS C C 28 177.394 178.047 -0.653 1
1 316 . 13 1 1 A 28 28 LYS CA C 28 58.951 58.851 0.100 1
1 317 . 13 1 1 A 28 28 LYS CB C 28 29.504 31.805 -2.301 1
1 320 . 13 1 1 A 28 28 LYS N N 28 119.368 119.006 0.362 1
1 321 . 13 1 1 A 29 29 TYR H H 29 7.349 7.995 -0.646 1
1 322 . 13 1 1 A 29 29 TYR HA H 29 4.768 4.248 0.520 1
1 329 . 13 1 1 A 29 29 TYR C C 29 177.496 177.976 -0.480 1
1 330 . 13 1 1 A 29 29 TYR CA C 29 58.599 61.248 -2.649 1
1 331 . 13 1 1 A 29 29 TYR CB C 29 38.229 38.532 -0.303 1
1 336 . 13 1 1 A 29 29 TYR N N 29 117.039 119.470 -2.431 1
1 337 . 13 1 1 A 30 30 ILE H H 30 7.535 8.437 -0.902 1
1 338 . 13 1 1 A 30 30 ILE HA H 30 3.638 3.821 -0.183 1
1 348 . 13 1 1 A 30 30 ILE C C 30 178.462 177.773 0.689 1
1 349 . 13 1 1 A 30 30 ILE CA C 30 65.156 63.372 1.784 1
1 350 . 13 1 1 A 30 30 ILE CB C 30 36.867 37.464 -0.597 1
1 353 . 13 1 1 A 30 30 ILE N N 30 120.828 120.449 0.379 1
1 354 . 13 1 1 A 31 31 LYS H H 31 7.862 7.747 0.115 1
1 355 . 13 1 1 A 31 31 LYS HA H 31 4.053 4.051 0.002 1
1 360 . 13 1 1 A 31 31 LYS C C 31 178.243 178.700 -0.457 1
1 361 . 13 1 1 A 31 31 LYS CA C 31 58.796 58.782 0.014 1
1 362 . 13 1 1 A 31 31 LYS CB C 31 31.723 31.825 -0.102 1
1 365 . 13 1 1 A 31 31 LYS N N 31 116.578 121.454 -4.876 1
1 366 . 13 1 1 A 32 32 LEU H H 32 7.353 7.965 -0.612 1
1 367 . 13 1 1 A 32 32 LEU HA H 32 4.128 4.083 0.045 1
1 373 . 13 1 1 A 32 32 LEU C C 32 180.028 179.003 1.025 1
1 374 . 13 1 1 A 32 32 LEU CA C 32 57.809 57.780 0.029 1
1 375 . 13 1 1 A 32 32 LEU CB C 32 41.196 41.640 -0.444 1
1 378 . 13 1 1 A 32 32 LEU N N 32 117.030 120.192 -3.162 1
1 379 . 13 1 1 A 33 33 ILE H H 33 7.494 7.824 -0.330 1
1 380 . 13 1 1 A 33 33 ILE HA H 33 3.760 3.978 -0.218 1
1 387 . 13 1 1 A 33 33 ILE C C 33 178.477 177.915 0.562 1
1 388 . 13 1 1 A 33 33 ILE CA C 33 62.407 63.744 -1.337 1
1 389 . 13 1 1 A 33 33 ILE CB C 33 35.407 37.330 -1.923 1
1 391 . 13 1 1 A 33 33 ILE N N 33 118.141 115.225 2.916 1
1 392 . 13 1 1 A 34 34 ALA H H 34 7.777 7.461 0.316 1
1 393 . 13 1 1 A 34 34 ALA HA H 34 4.031 3.997 0.034 1
1 397 . 13 1 1 A 34 34 ALA C C 34 178.857 178.648 0.209 1
1 398 . 13 1 1 A 34 34 ALA CA C 34 54.662 54.847 -0.185 1
1 399 . 13 1 1 A 34 34 ALA CB C 34 18.492 18.654 -0.162 1
1 400 . 13 1 1 A 34 34 ALA N N 34 119.230 123.990 -4.760 1
1 401 . 13 1 1 A 35 35 ASN H H 35 7.418 7.748 -0.330 1
1 402 . 13 1 1 A 35 35 ASN HA H 35 4.863 4.748 0.115 1
1 407 . 13 1 1 A 35 35 ASN C C 35 175.345 175.768 -0.423 1
1 408 . 13 1 1 A 35 35 ASN CA C 35 52.686 53.154 -0.468 1
1 409 . 13 1 1 A 35 35 ASN CB C 35 39.075 39.057 0.018 1
1 410 . 13 1 1 A 35 35 ASN N N 35 113.022 114.955 -1.933 1
1 412 . 13 1 1 A 36 36 ALA H H 36 7.529 8.001 -0.472 1
1 413 . 13 1 1 A 36 36 ALA HA H 36 4.329 4.044 0.285 1
1 417 . 13 1 1 A 36 36 ALA C C 36 177.862 178.120 -0.258 1
1 418 . 13 1 1 A 36 36 ALA CA C 36 53.389 55.157 -1.768 1
1 419 . 13 1 1 A 36 36 ALA CB C 36 19.141 18.892 0.249 1
1 420 . 13 1 1 A 36 36 ALA N N 36 124.061 122.463 1.598 1
1 421 . 13 1 1 A 37 37 LYS H H 37 8.891 7.894 0.997 1
1 422 . 13 1 1 A 37 37 LYS HA H 37 4.450 3.978 0.472 1
1 427 . 13 1 1 A 37 37 LYS C C 37 176.758 175.566 1.192 1
1 428 . 13 1 1 A 37 37 LYS CA C 37 56.476 58.892 -2.416 1
1 429 . 13 1 1 A 37 37 LYS CB C 37 34.789 31.031 3.758 1
1 433 . 13 1 1 A 37 37 LYS N N 37 117.071 114.917 2.154 1
1 434 . 13 1 1 A 38 38 THR H H 38 7.406 8.306 -0.900 1
1 435 . 13 1 1 A 38 38 THR HA H 38 4.704 4.347 0.357 1
1 440 . 13 1 1 A 38 38 THR C C 38 173.984 176.131 -2.147 1
1 441 . 13 1 1 A 38 38 THR CA C 38 58.248 62.020 -3.772 1
1 442 . 13 1 1 A 38 38 THR CB C 38 72.884 69.846 3.038 1
1 444 . 13 1 1 A 38 38 THR N N 38 106.340 111.629 -5.289 1
1 445 . 13 1 1 A 39 39 VAL H H 39 8.967 9.000 -0.033 1
1 446 . 13 1 1 A 39 39 VAL HA H 39 3.208 3.923 -0.715 1
1 451 . 13 1 1 A 39 39 VAL C C 39 176.735 177.659 -0.924 1
1 452 . 13 1 1 A 39 39 VAL CA C 39 67.315 65.875 1.440 1
1 453 . 13 1 1 A 39 39 VAL CB C 39 30.909 31.814 -0.905 1
1 455 . 13 1 1 A 39 39 VAL N N 39 122.904 122.933 -0.029 1
1 456 . 13 1 1 A 40 40 GLU H H 40 8.900 8.822 0.078 1
1 457 . 13 1 1 A 40 40 GLU HA H 40 4.076 4.137 -0.061 1
1 462 . 13 1 1 A 40 40 GLU C C 40 179.355 179.944 -0.589 1
1 463 . 13 1 1 A 40 40 GLU CA C 40 60.061 59.764 0.297 1
1 464 . 13 1 1 A 40 40 GLU CB C 40 28.401 29.064 -0.663 1
1 466 . 13 1 1 A 40 40 GLU N N 40 118.190 122.007 -3.817 1
1 467 . 13 1 1 A 41 41 GLY H H 41 8.199 8.158 0.041 1
1 468 . 13 1 1 A 41 41 GLY HA2 H 41 4.039 3.779 0.260 1
1 469 . 13 1 1 A 41 41 GLY HA3 H 41 3.919 3.784 0.135 1
1 470 . 13 1 1 A 41 41 GLY C C 41 176.267 176.664 -0.397 1
1 471 . 13 1 1 A 41 41 GLY CA C 41 46.167 46.924 -0.757 1
1 472 . 13 1 1 A 41 41 GLY N N 41 108.663 108.813 -0.150 1
1 473 . 13 1 1 A 42 42 VAL H H 42 7.662 7.838 -0.176 1
1 474 . 13 1 1 A 42 42 VAL HA H 42 3.182 3.797 -0.615 1
1 479 . 13 1 1 A 42 42 VAL C C 42 177.014 178.313 -1.299 1
1 480 . 13 1 1 A 42 42 VAL CA C 42 67.030 65.778 1.252 1
1 481 . 13 1 1 A 42 42 VAL CB C 42 30.616 31.666 -1.050 1
1 483 . 13 1 1 A 42 42 VAL N N 42 123.036 121.185 1.851 1
1 484 . 13 1 1 A 43 43 TRP H H 43 7.726 8.282 -0.556 1
1 485 . 13 1 1 A 43 43 TRP HA H 43 4.640 4.453 0.187 1
1 494 . 13 1 1 A 43 43 TRP C C 43 179.135 179.197 -0.062 1
1 495 . 13 1 1 A 43 43 TRP CA C 43 59.208 59.992 -0.784 1
1 496 . 13 1 1 A 43 43 TRP CB C 43 29.033 29.062 -0.029 1
1 502 . 13 1 1 A 43 43 TRP N N 43 118.730 120.169 -1.439 1
1 504 . 13 1 1 A 44 44 THR H H 44 8.545 7.950 0.595 1
1 505 . 13 1 1 A 44 44 THR HA H 44 4.223 4.159 0.064 1
1 510 . 13 1 1 A 44 44 THR C C 44 177.189 176.725 0.464 1
1 511 . 13 1 1 A 44 44 THR CA C 44 66.351 65.526 0.825 1
1 512 . 13 1 1 A 44 44 THR CB C 44 68.921 68.540 0.381 1
1 514 . 13 1 1 A 44 44 THR N N 44 115.228 115.185 0.043 1
1 515 . 13 1 1 A 45 45 LEU H H 45 7.961 8.041 -0.080 1
1 516 . 13 1 1 A 45 45 LEU HA H 45 4.299 4.206 0.093 1
1 523 . 13 1 1 A 45 45 LEU C C 45 178.301 179.061 -0.760 1
1 524 . 13 1 1 A 45 45 LEU CA C 45 57.759 58.325 -0.566 1
1 525 . 13 1 1 A 45 45 LEU CB C 45 42.462 41.813 0.649 1
1 527 . 13 1 1 A 45 45 LEU N N 45 123.256 121.312 1.944 1
1 528 . 13 1 1 A 46 46 LYS H H 46 8.645 7.966 0.679 1
1 529 . 13 1 1 A 46 46 LYS HA H 46 3.850 3.976 -0.126 1
1 536 . 13 1 1 A 46 46 LYS C C 46 177.716 178.396 -0.680 1
1 537 . 13 1 1 A 46 46 LYS CA C 46 60.731 58.947 1.784 1
1 538 . 13 1 1 A 46 46 LYS CB C 46 30.700 32.122 -1.422 1
1 540 . 13 1 1 A 46 46 LYS N N 46 119.178 117.858 1.320 1
1 541 . 13 1 1 A 47 47 ASP H H 47 7.711 8.078 -0.367 1
1 542 . 13 1 1 A 47 47 ASP HA H 47 4.539 4.370 0.169 1
1 545 . 13 1 1 A 47 47 ASP C C 47 178.755 178.740 0.015 1
1 546 . 13 1 1 A 47 47 ASP CA C 47 57.095 57.273 -0.178 1
1 547 . 13 1 1 A 47 47 ASP CB C 47 40.138 40.778 -0.640 1
1 548 . 13 1 1 A 47 47 ASP N N 47 117.538 119.860 -2.322 1
1 549 . 13 1 1 A 48 48 GLU H H 48 7.951 8.487 -0.536 1
1 550 . 13 1 1 A 48 48 GLU HA H 48 3.989 4.093 -0.104 1
1 555 . 13 1 1 A 48 48 GLU C C 48 179.165 179.637 -0.472 1
1 556 . 13 1 1 A 48 48 GLU CA C 48 59.143 59.006 0.137 1
1 557 . 13 1 1 A 48 48 GLU CB C 48 29.783 29.450 0.333 1
1 559 . 13 1 1 A 48 48 GLU N N 48 121.677 119.004 2.673 1
1 560 . 13 1 1 A 49 49 ILE H H 49 8.602 7.419 1.183 1
1 561 . 13 1 1 A 49 49 ILE HA H 49 3.834 3.603 0.231 1
1 568 . 13 1 1 A 49 49 ILE C C 49 177.379 177.987 -0.608 1
1 569 . 13 1 1 A 49 49 ILE CA C 49 64.044 65.072 -1.028 1
1 570 . 13 1 1 A 49 49 ILE CB C 49 37.896 36.819 1.077 1
1 572 . 13 1 1 A 49 49 ILE N N 49 120.326 120.965 -0.639 1
1 573 . 13 1 1 A 50 50 LYS H H 50 7.785 7.472 0.313 1
1 574 . 13 1 1 A 50 50 LYS HA H 50 4.057 4.073 -0.016 1
1 583 . 13 1 1 A 50 50 LYS C C 50 177.848 178.513 -0.665 1
1 584 . 13 1 1 A 50 50 LYS CA C 50 59.629 59.031 0.598 1
1 585 . 13 1 1 A 50 50 LYS CB C 50 32.026 32.005 0.021 1
1 587 . 13 1 1 A 50 50 LYS N N 50 119.242 119.991 -0.749 1
1 588 . 13 1 1 A 51 51 THR H H 51 7.609 7.588 0.021 1
1 589 . 13 1 1 A 51 51 THR HA H 51 4.344 4.303 0.041 1
1 594 . 13 1 1 A 51 51 THR C C 51 175.360 175.139 0.221 1
1 595 . 13 1 1 A 51 51 THR CA C 51 63.224 63.376 -0.152 1
1 596 . 13 1 1 A 51 51 THR CB C 51 69.781 69.432 0.349 1
1 598 . 13 1 1 A 51 51 THR N N 51 109.871 112.282 -2.411 1
1 599 . 13 1 1 A 52 52 PHE H H 52 7.645 7.360 0.285 1
1 600 . 13 1 1 A 52 52 PHE HA H 52 4.810 4.516 0.294 1
1 607 . 13 1 1 A 52 52 PHE C C 52 176.750 176.397 0.353 1
1 608 . 13 1 1 A 52 52 PHE CA C 52 56.960 59.147 -2.187 1
1 609 . 13 1 1 A 52 52 PHE CB C 52 37.622 38.411 -0.789 1
1 614 . 13 1 1 A 52 52 PHE N N 52 120.960 120.364 0.596 1
1 615 . 13 1 1 A 53 53 THR H H 53 8.124 7.691 0.433 1
1 616 . 13 1 1 A 53 53 THR HA H 53 4.472 4.138 0.334 1
1 621 . 13 1 1 A 53 53 THR C C 53 174.394 174.296 0.098 1
1 622 . 13 1 1 A 53 53 THR CA C 53 62.464 65.564 -3.100 1
1 623 . 13 1 1 A 53 53 THR CB C 53 70.045 68.694 1.351 1
1 625 . 13 1 1 A 53 53 THR N N 53 113.896 114.369 -0.473 1
1 626 . 13 1 1 A 54 54 VAL H H 54 8.114 7.946 0.168 1
1 627 . 13 1 1 A 54 54 VAL HA H 54 4.346 3.787 0.559 1
1 632 . 13 1 1 A 54 54 VAL C C 54 176.209 174.849 1.360 1
1 633 . 13 1 1 A 54 54 VAL CA C 54 62.128 62.293 -0.165 1
1 634 . 13 1 1 A 54 54 VAL CB C 54 32.694 30.416 2.278 1
1 636 . 13 1 1 A 54 54 VAL N N 54 122.467 119.223 3.244 1
1 637 . 13 1 1 A 55 55 THR H H 55 8.362 7.868 0.494 1
1 638 . 13 1 1 A 55 55 THR HA H 55 4.409 5.018 -0.609 1
1 643 . 13 1 1 A 55 55 THR C C 55 173.648 173.165 0.483 1
1 644 . 13 1 1 A 55 55 THR CA C 55 61.875 60.042 1.833 1
1 645 . 13 1 1 A 55 55 THR CB C 55 69.860 72.529 -2.669 1
1 647 . 13 1 1 A 55 55 THR N N 55 118.624 114.210 4.414 1
1 3 . 14 1 1 A 2 2 THR H H 2 8.109 8.681 -0.572 1
1 4 . 14 1 1 A 2 2 THR HA H 2 4.400 4.119 0.281 1
1 9 . 14 1 1 A 2 2 THR C C 2 173.933 174.630 -0.697 1
1 10 . 14 1 1 A 2 2 THR CA C 2 61.842 65.031 -3.189 1
1 11 . 14 1 1 A 2 2 THR CB C 2 69.793 68.298 1.495 1
1 13 . 14 1 1 A 2 2 THR N N 2 128.532 117.593 10.939 1
1 14 . 14 1 1 A 3 3 TYR H H 3 8.424 7.732 0.692 1
1 15 . 14 1 1 A 3 3 TYR HA H 3 4.434 4.819 -0.385 1
1 22 . 14 1 1 A 3 3 TYR C C 3 175.696 176.377 -0.681 1
1 23 . 14 1 1 A 3 3 TYR CA C 3 58.210 58.863 -0.653 1
1 24 . 14 1 1 A 3 3 TYR CB C 3 38.473 40.845 -2.372 1
1 27 . 14 1 1 A 3 3 TYR N N 3 123.975 120.445 3.530 1
1 28 . 14 1 1 A 4 4 LYS H H 4 8.160 8.103 0.057 1
1 29 . 14 1 1 A 4 4 LYS HA H 4 4.217 4.199 0.018 1
1 36 . 14 1 1 A 4 4 LYS C C 4 175.989 176.715 -0.726 1
1 37 . 14 1 1 A 4 4 LYS CA C 4 56.657 55.984 0.673 1
1 38 . 14 1 1 A 4 4 LYS CB C 4 32.834 32.459 0.375 1
1 42 . 14 1 1 A 4 4 LYS N N 4 122.591 118.361 4.230 1
1 43 . 14 1 1 A 5 5 LEU H H 5 8.050 8.118 -0.068 1
1 44 . 14 1 1 A 5 5 LEU HA H 5 4.325 4.189 0.136 1
1 50 . 14 1 1 A 5 5 LEU C C 5 177.233 175.872 1.361 1
1 51 . 14 1 1 A 5 5 LEU CA C 5 55.392 57.487 -2.095 1
1 52 . 14 1 1 A 5 5 LEU CB C 5 41.995 41.734 0.261 1
1 56 . 14 1 1 A 5 5 LEU N N 5 122.335 119.089 3.246 1
1 57 . 14 1 1 A 6 6 ILE H H 6 8.136 8.308 -0.172 1
1 58 . 14 1 1 A 6 6 ILE HA H 6 4.230 4.496 -0.266 1
1 68 . 14 1 1 A 6 6 ILE C C 6 176.253 175.022 1.231 1
1 69 . 14 1 1 A 6 6 ILE CA C 6 61.256 60.429 0.827 1
1 70 . 14 1 1 A 6 6 ILE CB C 6 38.070 39.868 -1.798 1
1 74 . 14 1 1 A 6 6 ILE N N 6 122.472 119.812 2.660 1
1 75 . 14 1 1 A 7 7 LEU H H 7 8.234 8.975 -0.741 1
1 76 . 14 1 1 A 7 7 LEU HA H 7 4.521 4.358 0.163 1
1 82 . 14 1 1 A 7 7 LEU C C 7 177.087 177.217 -0.130 1
1 83 . 14 1 1 A 7 7 LEU CA C 7 55.268 56.452 -1.184 1
1 84 . 14 1 1 A 7 7 LEU CB C 7 42.738 42.480 0.258 1
1 87 . 14 1 1 A 7 7 LEU N N 7 125.667 129.121 -3.454 1
1 88 . 14 1 1 A 8 8 ASN H H 8 8.195 8.080 0.115 1
1 89 . 14 1 1 A 8 8 ASN HA H 8 4.801 5.007 -0.206 1
1 94 . 14 1 1 A 8 8 ASN C C 8 175.345 175.860 -0.515 1
1 95 . 14 1 1 A 8 8 ASN CA C 8 52.541 52.513 0.028 1
1 96 . 14 1 1 A 8 8 ASN CB C 8 38.782 39.424 -0.642 1
1 97 . 14 1 1 A 8 8 ASN N N 8 118.150 115.437 2.713 1
1 99 . 14 1 1 A 9 9 LEU H H 9 8.434 7.919 0.515 1
1 100 . 14 1 1 A 9 9 LEU HA H 9 3.974 4.131 -0.157 1
1 109 . 14 1 1 A 9 9 LEU C C 9 177.160 178.986 -1.826 1
1 110 . 14 1 1 A 9 9 LEU CA C 9 58.418 56.850 1.568 1
1 111 . 14 1 1 A 9 9 LEU CB C 9 42.073 41.790 0.283 1
1 114 . 14 1 1 A 9 9 LEU N N 9 121.944 122.167 -0.223 1
1 115 . 14 1 1 A 10 10 LYS H H 10 8.115 8.198 -0.083 1
1 116 . 14 1 1 A 10 10 LYS HA H 10 3.964 3.870 0.094 1
1 121 . 14 1 1 A 10 10 LYS C C 10 178.535 178.648 -0.113 1
1 122 . 14 1 1 A 10 10 LYS CA C 10 60.121 60.410 -0.289 1
1 123 . 14 1 1 A 10 10 LYS CB C 10 32.108 32.063 0.045 1
1 126 . 14 1 1 A 10 10 LYS N N 10 118.923 117.902 1.021 1
1 127 . 14 1 1 A 11 11 GLN H H 11 7.647 8.077 -0.430 1
1 128 . 14 1 1 A 11 11 GLN HA H 11 4.198 4.111 0.087 1
1 135 . 14 1 1 A 11 11 GLN C C 11 179.267 177.808 1.459 1
1 136 . 14 1 1 A 11 11 GLN CA C 11 59.331 58.777 0.554 1
1 137 . 14 1 1 A 11 11 GLN CB C 11 29.621 28.812 0.809 1
1 139 . 14 1 1 A 11 11 GLN N N 11 117.482 119.364 -1.882 1
1 141 . 14 1 1 A 12 12 ALA H H 12 8.431 7.776 0.655 1
1 142 . 14 1 1 A 12 12 ALA HA H 12 4.200 2.172 2.028 1
1 146 . 14 1 1 A 12 12 ALA C C 12 179.809 178.832 0.977 1
1 147 . 14 1 1 A 12 12 ALA CA C 12 55.484 54.486 0.998 1
1 148 . 14 1 1 A 12 12 ALA CB C 12 18.673 17.324 1.349 1
1 149 . 14 1 1 A 12 12 ALA N N 12 122.387 121.231 1.156 1
1 150 . 14 1 1 A 13 13 LYS H H 13 8.361 8.698 -0.337 1
1 151 . 14 1 1 A 13 13 LYS HA H 13 3.671 3.780 -0.109 1
1 158 . 14 1 1 A 13 13 LYS C C 13 177.701 178.634 -0.933 1
1 159 . 14 1 1 A 13 13 LYS CA C 13 60.773 59.569 1.204 1
1 160 . 14 1 1 A 13 13 LYS CB C 13 33.191 32.030 1.161 1
1 163 . 14 1 1 A 13 13 LYS N N 13 116.790 118.223 -1.433 1
1 164 . 14 1 1 A 14 14 GLU H H 14 7.953 8.363 -0.410 1
1 165 . 14 1 1 A 14 14 GLU HA H 14 3.979 3.942 0.037 1
1 170 . 14 1 1 A 14 14 GLU C C 14 178.067 179.602 -1.535 1
1 171 . 14 1 1 A 14 14 GLU CA C 14 59.824 59.641 0.183 1
1 172 . 14 1 1 A 14 14 GLU CB C 14 29.389 29.370 0.019 1
1 174 . 14 1 1 A 14 14 GLU N N 14 116.988 117.872 -0.884 1
1 175 . 14 1 1 A 15 15 GLU H H 15 8.442 7.746 0.696 1
1 176 . 14 1 1 A 15 15 GLU HA H 15 4.053 4.064 -0.011 1
1 179 . 14 1 1 A 15 15 GLU C C 15 178.374 179.334 -0.960 1
1 180 . 14 1 1 A 15 15 GLU CA C 15 58.307 58.994 -0.687 1
1 181 . 14 1 1 A 15 15 GLU CB C 15 29.030 29.105 -0.075 1
1 183 . 14 1 1 A 15 15 GLU N N 15 115.659 119.739 -4.080 1
1 184 . 14 1 1 A 16 16 ALA H H 16 8.555 7.946 0.609 1
1 185 . 14 1 1 A 16 16 ALA HA H 16 4.199 4.051 0.148 1
1 189 . 14 1 1 A 16 16 ALA C C 16 179.399 179.909 -0.510 1
1 190 . 14 1 1 A 16 16 ALA CA C 16 55.233 55.140 0.093 1
1 191 . 14 1 1 A 16 16 ALA CB C 16 17.853 18.509 -0.656 1
1 192 . 14 1 1 A 16 16 ALA N N 16 122.104 122.647 -0.543 1
1 193 . 14 1 1 A 17 17 ILE H H 17 8.719 7.568 1.151 1
1 194 . 14 1 1 A 17 17 ILE HA H 17 3.593 3.654 -0.061 1
1 201 . 14 1 1 A 17 17 ILE C C 17 177.131 177.822 -0.691 1
1 202 . 14 1 1 A 17 17 ILE CA C 17 66.796 65.215 1.581 1
1 203 . 14 1 1 A 17 17 ILE CB C 17 37.700 37.517 0.183 1
1 205 . 14 1 1 A 17 17 ILE N N 17 117.581 118.232 -0.651 1
1 206 . 14 1 1 A 18 18 LYS H H 18 7.795 7.952 -0.157 1
1 207 . 14 1 1 A 18 18 LYS HA H 18 4.025 3.929 0.096 1
1 214 . 14 1 1 A 18 18 LYS C C 18 179.340 178.934 0.406 1
1 215 . 14 1 1 A 18 18 LYS CA C 18 59.829 59.822 0.007 1
1 216 . 14 1 1 A 18 18 LYS CB C 18 32.079 32.364 -0.285 1
1 220 . 14 1 1 A 18 18 LYS N N 18 119.291 120.830 -1.539 1
1 221 . 14 1 1 A 19 19 GLU H H 19 8.331 8.831 -0.500 1
1 222 . 14 1 1 A 19 19 GLU HA H 19 4.197 4.058 0.139 1
1 227 . 14 1 1 A 19 19 GLU C C 19 179.926 179.802 0.124 1
1 228 . 14 1 1 A 19 19 GLU CA C 19 58.483 59.048 -0.565 1
1 229 . 14 1 1 A 19 19 GLU CB C 19 28.508 29.393 -0.885 1
1 231 . 14 1 1 A 19 19 GLU N N 19 118.386 118.796 -0.410 1
1 232 . 14 1 1 A 20 20 LEU H H 20 8.270 7.641 0.629 1
1 233 . 14 1 1 A 20 20 LEU HA H 20 4.198 4.098 0.100 1
1 240 . 14 1 1 A 20 20 LEU C C 20 180.511 179.086 1.425 1
1 241 . 14 1 1 A 20 20 LEU CA C 20 57.429 58.073 -0.644 1
1 242 . 14 1 1 A 20 20 LEU CB C 20 40.978 41.730 -0.752 1
1 243 . 14 1 1 A 20 20 LEU N N 20 119.581 121.129 -1.548 1
1 244 . 14 1 1 A 21 21 VAL H H 21 9.479 8.849 0.630 1
1 245 . 14 1 1 A 21 21 VAL HA H 21 3.991 3.543 0.448 1
1 250 . 14 1 1 A 21 21 VAL C C 21 180.906 178.587 2.319 1
1 251 . 14 1 1 A 21 21 VAL CA C 21 66.562 67.019 -0.457 1
1 252 . 14 1 1 A 21 21 VAL CB C 21 31.435 31.368 0.067 1
1 254 . 14 1 1 A 21 21 VAL N N 21 125.030 119.249 5.781 1
1 255 . 14 1 1 A 22 22 ASP H H 22 8.401 8.713 -0.312 1
1 256 . 14 1 1 A 22 22 ASP HA H 22 4.541 4.505 0.036 1
1 259 . 14 1 1 A 22 22 ASP C C 22 177.204 176.372 0.832 1
1 260 . 14 1 1 A 22 22 ASP CA C 22 57.019 56.261 0.758 1
1 261 . 14 1 1 A 22 22 ASP CB C 22 39.983 40.858 -0.875 1
1 262 . 14 1 1 A 22 22 ASP N N 22 122.749 121.399 1.350 1
1 263 . 14 1 1 A 23 23 ALA H H 23 7.485 7.679 -0.194 1
1 264 . 14 1 1 A 23 23 ALA HA H 23 4.522 4.615 -0.093 1
1 268 . 14 1 1 A 23 23 ALA C C 23 177.965 177.253 0.712 1
1 269 . 14 1 1 A 23 23 ALA CA C 23 52.130 53.143 -1.013 1
1 270 . 14 1 1 A 23 23 ALA CB C 23 18.673 20.972 -2.299 1
1 271 . 14 1 1 A 23 23 ALA N N 23 119.207 119.717 -0.510 1
1 272 . 14 1 1 A 24 24 GLY H H 24 8.150 7.690 0.460 1
1 273 . 14 1 1 A 24 24 GLY HA2 H 24 4.183 4.019 0.164 1
1 274 . 14 1 1 A 24 24 GLY HA3 H 24 4.026 4.019 0.007 1
1 275 . 14 1 1 A 24 24 GLY C C 24 174.731 174.053 0.678 1
1 276 . 14 1 1 A 24 24 GLY CA C 24 45.916 45.528 0.388 1
1 277 . 14 1 1 A 24 24 GLY N N 24 108.009 104.498 3.511 1
1 278 . 14 1 1 A 25 25 THR H H 25 7.786 8.480 -0.694 1
1 279 . 14 1 1 A 25 25 THR HA H 25 4.151 4.334 -0.183 1
1 284 . 14 1 1 A 25 25 THR C C 25 173.194 173.614 -0.420 1
1 285 . 14 1 1 A 25 25 THR CA C 25 63.840 63.376 0.464 1
1 286 . 14 1 1 A 25 25 THR CB C 25 69.255 68.707 0.548 1
1 288 . 14 1 1 A 25 25 THR N N 25 117.202 116.112 1.090 1
1 289 . 14 1 1 A 26 26 ALA H H 26 8.978 8.389 0.589 1
1 290 . 14 1 1 A 26 26 ALA HA H 26 4.391 4.332 0.059 1
1 294 . 14 1 1 A 26 26 ALA C C 26 178.935 177.925 1.010 1
1 295 . 14 1 1 A 26 26 ALA CA C 26 53.038 51.538 1.500 1
1 296 . 14 1 1 A 26 26 ALA CB C 26 18.566 18.494 0.072 1
1 297 . 14 1 1 A 26 26 ALA N N 26 128.127 127.467 0.660 1
1 298 . 14 1 1 A 27 27 GLU H H 27 8.803 8.325 0.478 1
1 299 . 14 1 1 A 27 27 GLU HA H 27 3.966 4.128 -0.162 1
1 304 . 14 1 1 A 27 27 GLU C C 27 179.999 178.598 1.401 1
1 305 . 14 1 1 A 27 27 GLU CA C 27 59.465 59.321 0.144 1
1 306 . 14 1 1 A 27 27 GLU CB C 27 29.211 29.308 -0.097 1
1 308 . 14 1 1 A 27 27 GLU N N 27 123.075 124.801 -1.726 1
1 309 . 14 1 1 A 28 28 LYS H H 28 8.455 8.252 0.203 1
1 310 . 14 1 1 A 28 28 LYS HA H 28 4.048 4.054 -0.006 1
1 315 . 14 1 1 A 28 28 LYS C C 28 177.394 179.182 -1.788 1
1 316 . 14 1 1 A 28 28 LYS CA C 28 58.951 58.929 0.022 1
1 317 . 14 1 1 A 28 28 LYS CB C 28 29.504 32.331 -2.827 1
1 320 . 14 1 1 A 28 28 LYS N N 28 119.368 120.644 -1.276 1
1 321 . 14 1 1 A 29 29 TYR H H 29 7.349 8.184 -0.835 1
1 322 . 14 1 1 A 29 29 TYR HA H 29 4.768 4.287 0.481 1
1 329 . 14 1 1 A 29 29 TYR C C 29 177.496 178.059 -0.563 1
1 330 . 14 1 1 A 29 29 TYR CA C 29 58.599 61.447 -2.848 1
1 331 . 14 1 1 A 29 29 TYR CB C 29 38.229 38.471 -0.242 1
1 336 . 14 1 1 A 29 29 TYR N N 29 117.039 120.860 -3.821 1
1 337 . 14 1 1 A 30 30 ILE H H 30 7.535 8.366 -0.831 1
1 338 . 14 1 1 A 30 30 ILE HA H 30 3.638 3.825 -0.187 1
1 348 . 14 1 1 A 30 30 ILE C C 30 178.462 177.742 0.720 1
1 349 . 14 1 1 A 30 30 ILE CA C 30 65.156 63.341 1.815 1
1 350 . 14 1 1 A 30 30 ILE CB C 30 36.867 37.468 -0.601 1
1 353 . 14 1 1 A 30 30 ILE N N 30 120.828 120.475 0.353 1
1 354 . 14 1 1 A 31 31 LYS H H 31 7.862 7.867 -0.005 1
1 355 . 14 1 1 A 31 31 LYS HA H 31 4.053 4.097 -0.044 1
1 360 . 14 1 1 A 31 31 LYS C C 31 178.243 178.740 -0.497 1
1 361 . 14 1 1 A 31 31 LYS CA C 31 58.796 58.806 -0.010 1
1 362 . 14 1 1 A 31 31 LYS CB C 31 31.723 31.797 -0.074 1
1 365 . 14 1 1 A 31 31 LYS N N 31 116.578 121.520 -4.942 1
1 366 . 14 1 1 A 32 32 LEU H H 32 7.353 7.820 -0.467 1
1 367 . 14 1 1 A 32 32 LEU HA H 32 4.128 4.083 0.045 1
1 373 . 14 1 1 A 32 32 LEU C C 32 180.028 179.005 1.023 1
1 374 . 14 1 1 A 32 32 LEU CA C 32 57.809 57.832 -0.023 1
1 375 . 14 1 1 A 32 32 LEU CB C 32 41.196 41.662 -0.466 1
1 378 . 14 1 1 A 32 32 LEU N N 32 117.030 120.190 -3.160 1
1 379 . 14 1 1 A 33 33 ILE H H 33 7.494 7.642 -0.148 1
1 380 . 14 1 1 A 33 33 ILE HA H 33 3.760 3.956 -0.196 1
1 387 . 14 1 1 A 33 33 ILE C C 33 178.477 177.867 0.610 1
1 388 . 14 1 1 A 33 33 ILE CA C 33 62.407 63.721 -1.314 1
1 389 . 14 1 1 A 33 33 ILE CB C 33 35.407 37.398 -1.991 1
1 391 . 14 1 1 A 33 33 ILE N N 33 118.141 115.503 2.638 1
1 392 . 14 1 1 A 34 34 ALA H H 34 7.777 7.650 0.127 1
1 393 . 14 1 1 A 34 34 ALA HA H 34 4.031 3.950 0.081 1
1 397 . 14 1 1 A 34 34 ALA C C 34 178.857 178.869 -0.012 1
1 398 . 14 1 1 A 34 34 ALA CA C 34 54.662 55.398 -0.736 1
1 399 . 14 1 1 A 34 34 ALA CB C 34 18.492 18.882 -0.390 1
1 400 . 14 1 1 A 34 34 ALA N N 34 119.230 124.398 -5.168 1
1 401 . 14 1 1 A 35 35 ASN H H 35 7.418 7.938 -0.520 1
1 402 . 14 1 1 A 35 35 ASN HA H 35 4.863 4.760 0.103 1
1 407 . 14 1 1 A 35 35 ASN C C 35 175.345 175.511 -0.166 1
1 408 . 14 1 1 A 35 35 ASN CA C 35 52.686 54.006 -1.320 1
1 409 . 14 1 1 A 35 35 ASN CB C 35 39.075 39.789 -0.714 1
1 410 . 14 1 1 A 35 35 ASN N N 35 113.022 115.294 -2.272 1
1 412 . 14 1 1 A 36 36 ALA H H 36 7.529 7.870 -0.341 1
1 413 . 14 1 1 A 36 36 ALA HA H 36 4.329 3.927 0.402 1
1 417 . 14 1 1 A 36 36 ALA C C 36 177.862 177.461 0.401 1
1 418 . 14 1 1 A 36 36 ALA CA C 36 53.389 54.303 -0.914 1
1 419 . 14 1 1 A 36 36 ALA CB C 36 19.141 17.947 1.194 1
1 420 . 14 1 1 A 36 36 ALA N N 36 124.061 120.943 3.118 1
1 421 . 14 1 1 A 37 37 LYS H H 37 8.891 8.216 0.675 1
1 422 . 14 1 1 A 37 37 LYS HA H 37 4.450 4.516 -0.066 1
1 427 . 14 1 1 A 37 37 LYS C C 37 176.758 175.222 1.536 1
1 428 . 14 1 1 A 37 37 LYS CA C 37 56.476 57.420 -0.944 1
1 429 . 14 1 1 A 37 37 LYS CB C 37 34.789 35.399 -0.610 1
1 433 . 14 1 1 A 37 37 LYS N N 37 117.071 119.773 -2.702 1
1 434 . 14 1 1 A 38 38 THR H H 38 7.406 7.839 -0.433 1
1 435 . 14 1 1 A 38 38 THR HA H 38 4.704 4.762 -0.058 1
1 440 . 14 1 1 A 38 38 THR C C 38 173.984 174.250 -0.266 1
1 441 . 14 1 1 A 38 38 THR CA C 38 58.248 60.868 -2.620 1
1 442 . 14 1 1 A 38 38 THR CB C 38 72.884 72.728 0.156 1
1 444 . 14 1 1 A 38 38 THR N N 38 106.340 111.112 -4.772 1
1 445 . 14 1 1 A 39 39 VAL H H 39 8.967 8.989 -0.022 1
1 446 . 14 1 1 A 39 39 VAL HA H 39 3.208 3.626 -0.418 1
1 451 . 14 1 1 A 39 39 VAL C C 39 176.735 177.923 -1.188 1
1 452 . 14 1 1 A 39 39 VAL CA C 39 67.315 66.956 0.359 1
1 453 . 14 1 1 A 39 39 VAL CB C 39 30.909 32.062 -1.153 1
1 455 . 14 1 1 A 39 39 VAL N N 39 122.904 121.222 1.682 1
1 456 . 14 1 1 A 40 40 GLU H H 40 8.900 8.607 0.293 1
1 457 . 14 1 1 A 40 40 GLU HA H 40 4.076 4.309 -0.233 1
1 462 . 14 1 1 A 40 40 GLU C C 40 179.355 179.001 0.354 1
1 463 . 14 1 1 A 40 40 GLU CA C 40 60.061 58.876 1.185 1
1 464 . 14 1 1 A 40 40 GLU CB C 40 28.401 28.790 -0.389 1
1 466 . 14 1 1 A 40 40 GLU N N 40 118.190 119.992 -1.802 1
1 467 . 14 1 1 A 41 41 GLY H H 41 8.199 8.339 -0.140 1
1 468 . 14 1 1 A 41 41 GLY HA2 H 41 4.039 3.645 0.394 1
1 469 . 14 1 1 A 41 41 GLY HA3 H 41 3.919 3.660 0.259 1
1 470 . 14 1 1 A 41 41 GLY C C 41 176.267 176.490 -0.223 1
1 471 . 14 1 1 A 41 41 GLY CA C 41 46.167 47.382 -1.215 1
1 472 . 14 1 1 A 41 41 GLY N N 41 108.663 109.060 -0.397 1
1 473 . 14 1 1 A 42 42 VAL H H 42 7.662 7.555 0.107 1
1 474 . 14 1 1 A 42 42 VAL HA H 42 3.182 3.662 -0.480 1
1 479 . 14 1 1 A 42 42 VAL C C 42 177.014 178.395 -1.381 1
1 480 . 14 1 1 A 42 42 VAL CA C 42 67.030 65.533 1.497 1
1 481 . 14 1 1 A 42 42 VAL CB C 42 30.616 31.353 -0.737 1
1 483 . 14 1 1 A 42 42 VAL N N 42 123.036 121.269 1.767 1
1 484 . 14 1 1 A 43 43 TRP H H 43 7.726 7.766 -0.040 1
1 485 . 14 1 1 A 43 43 TRP HA H 43 4.640 4.361 0.279 1
1 494 . 14 1 1 A 43 43 TRP C C 43 179.135 179.289 -0.154 1
1 495 . 14 1 1 A 43 43 TRP CA C 43 59.208 60.072 -0.864 1
1 496 . 14 1 1 A 43 43 TRP CB C 43 29.033 29.003 0.030 1
1 502 . 14 1 1 A 43 43 TRP N N 43 118.730 119.966 -1.236 1
1 504 . 14 1 1 A 44 44 THR H H 44 8.545 8.225 0.320 1
1 505 . 14 1 1 A 44 44 THR HA H 44 4.223 4.086 0.137 1
1 510 . 14 1 1 A 44 44 THR C C 44 177.189 176.835 0.354 1
1 511 . 14 1 1 A 44 44 THR CA C 44 66.351 66.676 -0.325 1
1 512 . 14 1 1 A 44 44 THR CB C 44 68.921 68.477 0.444 1
1 514 . 14 1 1 A 44 44 THR N N 44 115.228 116.715 -1.487 1
1 515 . 14 1 1 A 45 45 LEU H H 45 7.961 7.963 -0.002 1
1 516 . 14 1 1 A 45 45 LEU HA H 45 4.299 3.775 0.524 1
1 523 . 14 1 1 A 45 45 LEU C C 45 178.301 179.044 -0.743 1
1 524 . 14 1 1 A 45 45 LEU CA C 45 57.759 58.267 -0.508 1
1 525 . 14 1 1 A 45 45 LEU CB C 45 42.462 41.693 0.769 1
1 527 . 14 1 1 A 45 45 LEU N N 45 123.256 121.886 1.370 1
1 528 . 14 1 1 A 46 46 LYS H H 46 8.645 8.033 0.612 1
1 529 . 14 1 1 A 46 46 LYS HA H 46 3.850 3.972 -0.122 1
1 536 . 14 1 1 A 46 46 LYS C C 46 177.716 178.359 -0.643 1
1 537 . 14 1 1 A 46 46 LYS CA C 46 60.731 59.036 1.695 1
1 538 . 14 1 1 A 46 46 LYS CB C 46 30.700 32.103 -1.403 1
1 540 . 14 1 1 A 46 46 LYS N N 46 119.178 118.021 1.157 1
1 541 . 14 1 1 A 47 47 ASP H H 47 7.711 7.862 -0.151 1
1 542 . 14 1 1 A 47 47 ASP HA H 47 4.539 4.399 0.140 1
1 545 . 14 1 1 A 47 47 ASP C C 47 178.755 178.396 0.359 1
1 546 . 14 1 1 A 47 47 ASP CA C 47 57.095 56.608 0.487 1
1 547 . 14 1 1 A 47 47 ASP CB C 47 40.138 40.755 -0.617 1
1 548 . 14 1 1 A 47 47 ASP N N 47 117.538 119.916 -2.378 1
1 549 . 14 1 1 A 48 48 GLU H H 48 7.951 8.345 -0.394 1
1 550 . 14 1 1 A 48 48 GLU HA H 48 3.989 3.962 0.027 1
1 555 . 14 1 1 A 48 48 GLU C C 48 179.165 179.090 0.075 1
1 556 . 14 1 1 A 48 48 GLU CA C 48 59.143 58.803 0.340 1
1 557 . 14 1 1 A 48 48 GLU CB C 48 29.783 29.223 0.560 1
1 559 . 14 1 1 A 48 48 GLU N N 48 121.677 118.423 3.254 1
1 560 . 14 1 1 A 49 49 ILE H H 49 8.602 7.241 1.361 1
1 561 . 14 1 1 A 49 49 ILE HA H 49 3.834 3.653 0.181 1
1 568 . 14 1 1 A 49 49 ILE C C 49 177.379 178.682 -1.303 1
1 569 . 14 1 1 A 49 49 ILE CA C 49 64.044 64.498 -0.454 1
1 570 . 14 1 1 A 49 49 ILE CB C 49 37.896 37.538 0.358 1
1 572 . 14 1 1 A 49 49 ILE N N 49 120.326 121.410 -1.084 1
1 573 . 14 1 1 A 50 50 LYS H H 50 7.785 7.804 -0.019 1
1 574 . 14 1 1 A 50 50 LYS HA H 50 4.057 4.154 -0.097 1
1 583 . 14 1 1 A 50 50 LYS C C 50 177.848 177.990 -0.142 1
1 584 . 14 1 1 A 50 50 LYS CA C 50 59.629 59.207 0.422 1
1 585 . 14 1 1 A 50 50 LYS CB C 50 32.026 31.943 0.083 1
1 587 . 14 1 1 A 50 50 LYS N N 50 119.242 120.950 -1.708 1
1 588 . 14 1 1 A 51 51 THR H H 51 7.609 7.617 -0.008 1
1 589 . 14 1 1 A 51 51 THR HA H 51 4.344 4.426 -0.082 1
1 594 . 14 1 1 A 51 51 THR C C 51 175.360 175.635 -0.275 1
1 595 . 14 1 1 A 51 51 THR CA C 51 63.224 62.803 0.421 1
1 596 . 14 1 1 A 51 51 THR CB C 51 69.781 70.658 -0.877 1
1 598 . 14 1 1 A 51 51 THR N N 51 109.871 108.287 1.584 1
1 599 . 14 1 1 A 52 52 PHE H H 52 7.645 8.394 -0.749 1
1 600 . 14 1 1 A 52 52 PHE HA H 52 4.810 4.331 0.479 1
1 607 . 14 1 1 A 52 52 PHE C C 52 176.750 174.303 2.447 1
1 608 . 14 1 1 A 52 52 PHE CA C 52 56.960 58.911 -1.951 1
1 609 . 14 1 1 A 52 52 PHE CB C 52 37.622 37.471 0.151 1
1 614 . 14 1 1 A 52 52 PHE N N 52 120.960 120.289 0.671 1
1 615 . 14 1 1 A 53 53 THR H H 53 8.124 7.252 0.872 1
1 616 . 14 1 1 A 53 53 THR HA H 53 4.472 4.686 -0.214 1
1 621 . 14 1 1 A 53 53 THR C C 53 174.394 172.083 2.311 1
1 622 . 14 1 1 A 53 53 THR CA C 53 62.464 61.404 1.060 1
1 623 . 14 1 1 A 53 53 THR CB C 53 70.045 71.080 -1.035 1
1 625 . 14 1 1 A 53 53 THR N N 53 113.896 112.493 1.403 1
1 626 . 14 1 1 A 54 54 VAL H H 54 8.114 8.729 -0.615 1
1 627 . 14 1 1 A 54 54 VAL HA H 54 4.346 4.788 -0.442 1
1 632 . 14 1 1 A 54 54 VAL C C 54 176.209 176.390 -0.181 1
1 633 . 14 1 1 A 54 54 VAL CA C 54 62.128 60.163 1.965 1
1 634 . 14 1 1 A 54 54 VAL CB C 54 32.694 35.622 -2.928 1
1 636 . 14 1 1 A 54 54 VAL N N 54 122.467 124.531 -2.064 1
1 637 . 14 1 1 A 55 55 THR H H 55 8.362 8.576 -0.214 1
1 638 . 14 1 1 A 55 55 THR HA H 55 4.409 4.109 0.300 1
1 643 . 14 1 1 A 55 55 THR C C 55 173.648 176.100 -2.452 1
1 644 . 14 1 1 A 55 55 THR CA C 55 61.875 65.620 -3.745 1
1 645 . 14 1 1 A 55 55 THR CB C 55 69.860 68.449 1.411 1
1 647 . 14 1 1 A 55 55 THR N N 55 118.624 118.508 0.116 1
1 3 . 15 1 1 A 2 2 THR H H 2 8.109 8.801 -0.692 1
1 4 . 15 1 1 A 2 2 THR HA H 2 4.400 4.533 -0.133 1
1 9 . 15 1 1 A 2 2 THR C C 2 173.933 174.311 -0.378 1
1 10 . 15 1 1 A 2 2 THR CA C 2 61.842 62.191 -0.349 1
1 11 . 15 1 1 A 2 2 THR CB C 2 69.793 69.684 0.109 1
1 13 . 15 1 1 A 2 2 THR N N 2 128.532 122.106 6.426 1
1 14 . 15 1 1 A 3 3 TYR H H 3 8.424 9.011 -0.587 1
1 15 . 15 1 1 A 3 3 TYR HA H 3 4.434 4.768 -0.334 1
1 22 . 15 1 1 A 3 3 TYR C C 3 175.696 175.850 -0.154 1
1 23 . 15 1 1 A 3 3 TYR CA C 3 58.210 58.667 -0.457 1
1 24 . 15 1 1 A 3 3 TYR CB C 3 38.473 39.363 -0.890 1
1 27 . 15 1 1 A 3 3 TYR N N 3 123.975 122.492 1.483 1
1 28 . 15 1 1 A 4 4 LYS H H 4 8.160 8.809 -0.649 1
1 29 . 15 1 1 A 4 4 LYS HA H 4 4.217 4.552 -0.335 1
1 36 . 15 1 1 A 4 4 LYS C C 4 175.989 175.702 0.287 1
1 37 . 15 1 1 A 4 4 LYS CA C 4 56.657 55.048 1.609 1
1 38 . 15 1 1 A 4 4 LYS CB C 4 32.834 32.634 0.200 1
1 42 . 15 1 1 A 4 4 LYS N N 4 122.591 122.991 -0.400 1
1 43 . 15 1 1 A 5 5 LEU H H 5 8.050 8.029 0.021 1
1 44 . 15 1 1 A 5 5 LEU HA H 5 4.325 4.016 0.309 1
1 50 . 15 1 1 A 5 5 LEU C C 5 177.233 175.608 1.625 1
1 51 . 15 1 1 A 5 5 LEU CA C 5 55.392 55.669 -0.277 1
1 52 . 15 1 1 A 5 5 LEU CB C 5 41.995 40.701 1.294 1
1 56 . 15 1 1 A 5 5 LEU N N 5 122.335 117.982 4.353 1
1 57 . 15 1 1 A 6 6 ILE H H 6 8.136 8.557 -0.421 1
1 58 . 15 1 1 A 6 6 ILE HA H 6 4.230 4.533 -0.303 1
1 68 . 15 1 1 A 6 6 ILE C C 6 176.253 175.388 0.865 1
1 69 . 15 1 1 A 6 6 ILE CA C 6 61.256 60.660 0.596 1
1 70 . 15 1 1 A 6 6 ILE CB C 6 38.070 38.575 -0.505 1
1 74 . 15 1 1 A 6 6 ILE N N 6 122.472 124.385 -1.913 1
1 75 . 15 1 1 A 7 7 LEU H H 7 8.234 8.810 -0.576 1
1 76 . 15 1 1 A 7 7 LEU HA H 7 4.521 4.125 0.396 1
1 82 . 15 1 1 A 7 7 LEU C C 7 177.087 177.523 -0.436 1
1 83 . 15 1 1 A 7 7 LEU CA C 7 55.268 57.787 -2.519 1
1 84 . 15 1 1 A 7 7 LEU CB C 7 42.738 42.286 0.452 1
1 87 . 15 1 1 A 7 7 LEU N N 7 125.667 129.606 -3.939 1
1 88 . 15 1 1 A 8 8 ASN H H 8 8.195 7.817 0.378 1
1 89 . 15 1 1 A 8 8 ASN HA H 8 4.801 4.937 -0.136 1
1 94 . 15 1 1 A 8 8 ASN C C 8 175.345 175.053 0.292 1
1 95 . 15 1 1 A 8 8 ASN CA C 8 52.541 53.173 -0.632 1
1 96 . 15 1 1 A 8 8 ASN CB C 8 38.782 39.110 -0.328 1
1 97 . 15 1 1 A 8 8 ASN N N 8 118.150 113.189 4.961 1
1 99 . 15 1 1 A 9 9 LEU H H 9 8.434 8.766 -0.332 1
1 100 . 15 1 1 A 9 9 LEU HA H 9 3.974 4.187 -0.213 1
1 109 . 15 1 1 A 9 9 LEU C C 9 177.160 178.734 -1.574 1
1 110 . 15 1 1 A 9 9 LEU CA C 9 58.418 56.962 1.456 1
1 111 . 15 1 1 A 9 9 LEU CB C 9 42.073 42.050 0.023 1
1 114 . 15 1 1 A 9 9 LEU N N 9 121.944 125.177 -3.233 1
1 115 . 15 1 1 A 10 10 LYS H H 10 8.115 8.293 -0.178 1
1 116 . 15 1 1 A 10 10 LYS HA H 10 3.964 3.874 0.090 1
1 121 . 15 1 1 A 10 10 LYS C C 10 178.535 178.822 -0.287 1
1 122 . 15 1 1 A 10 10 LYS CA C 10 60.121 60.223 -0.102 1
1 123 . 15 1 1 A 10 10 LYS CB C 10 32.108 32.049 0.059 1
1 126 . 15 1 1 A 10 10 LYS N N 10 118.923 118.766 0.157 1
1 127 . 15 1 1 A 11 11 GLN H H 11 7.647 8.175 -0.528 1
1 128 . 15 1 1 A 11 11 GLN HA H 11 4.198 4.084 0.114 1
1 135 . 15 1 1 A 11 11 GLN C C 11 179.267 177.971 1.296 1
1 136 . 15 1 1 A 11 11 GLN CA C 11 59.331 58.783 0.548 1
1 137 . 15 1 1 A 11 11 GLN CB C 11 29.621 28.883 0.738 1
1 139 . 15 1 1 A 11 11 GLN N N 11 117.482 119.313 -1.831 1
1 141 . 15 1 1 A 12 12 ALA H H 12 8.431 8.069 0.362 1
1 142 . 15 1 1 A 12 12 ALA HA H 12 4.200 2.937 1.263 1
1 146 . 15 1 1 A 12 12 ALA C C 12 179.809 178.986 0.823 1
1 147 . 15 1 1 A 12 12 ALA CA C 12 55.484 54.782 0.702 1
1 148 . 15 1 1 A 12 12 ALA CB C 12 18.673 17.794 0.879 1
1 149 . 15 1 1 A 12 12 ALA N N 12 122.387 121.921 0.466 1
1 150 . 15 1 1 A 13 13 LYS H H 13 8.361 8.872 -0.511 1
1 151 . 15 1 1 A 13 13 LYS HA H 13 3.671 3.790 -0.119 1
1 158 . 15 1 1 A 13 13 LYS C C 13 177.701 179.917 -2.216 1
1 159 . 15 1 1 A 13 13 LYS CA C 13 60.773 59.701 1.072 1
1 160 . 15 1 1 A 13 13 LYS CB C 13 33.191 32.358 0.833 1
1 163 . 15 1 1 A 13 13 LYS N N 13 116.790 117.010 -0.220 1
1 164 . 15 1 1 A 14 14 GLU H H 14 7.953 8.351 -0.398 1
1 165 . 15 1 1 A 14 14 GLU HA H 14 3.979 3.923 0.056 1
1 170 . 15 1 1 A 14 14 GLU C C 14 178.067 179.455 -1.388 1
1 171 . 15 1 1 A 14 14 GLU CA C 14 59.824 59.414 0.410 1
1 172 . 15 1 1 A 14 14 GLU CB C 14 29.389 29.097 0.292 1
1 174 . 15 1 1 A 14 14 GLU N N 14 116.988 119.357 -2.369 1
1 175 . 15 1 1 A 15 15 GLU H H 15 8.442 7.723 0.719 1
1 176 . 15 1 1 A 15 15 GLU HA H 15 4.053 3.919 0.134 1
1 179 . 15 1 1 A 15 15 GLU C C 15 178.374 179.238 -0.864 1
1 180 . 15 1 1 A 15 15 GLU CA C 15 58.307 58.762 -0.455 1
1 181 . 15 1 1 A 15 15 GLU CB C 15 29.030 29.069 -0.039 1
1 183 . 15 1 1 A 15 15 GLU N N 15 115.659 120.376 -4.717 1
1 184 . 15 1 1 A 16 16 ALA H H 16 8.555 8.059 0.496 1
1 185 . 15 1 1 A 16 16 ALA HA H 16 4.199 3.993 0.206 1
1 189 . 15 1 1 A 16 16 ALA C C 16 179.399 179.702 -0.303 1
1 190 . 15 1 1 A 16 16 ALA CA C 16 55.233 55.196 0.037 1
1 191 . 15 1 1 A 16 16 ALA CB C 16 17.853 18.265 -0.412 1
1 192 . 15 1 1 A 16 16 ALA N N 16 122.104 123.257 -1.153 1
1 193 . 15 1 1 A 17 17 ILE H H 17 8.719 7.585 1.134 1
1 194 . 15 1 1 A 17 17 ILE HA H 17 3.593 3.929 -0.336 1
1 201 . 15 1 1 A 17 17 ILE C C 17 177.131 177.410 -0.279 1
1 202 . 15 1 1 A 17 17 ILE CA C 17 66.796 64.055 2.741 1
1 203 . 15 1 1 A 17 17 ILE CB C 17 37.700 37.590 0.110 1
1 205 . 15 1 1 A 17 17 ILE N N 17 117.581 118.709 -1.128 1
1 206 . 15 1 1 A 18 18 LYS H H 18 7.795 8.260 -0.465 1
1 207 . 15 1 1 A 18 18 LYS HA H 18 4.025 3.912 0.113 1
1 214 . 15 1 1 A 18 18 LYS C C 18 179.340 178.842 0.498 1
1 215 . 15 1 1 A 18 18 LYS CA C 18 59.829 59.781 0.048 1
1 216 . 15 1 1 A 18 18 LYS CB C 18 32.079 32.195 -0.116 1
1 220 . 15 1 1 A 18 18 LYS N N 18 119.291 121.660 -2.369 1
1 221 . 15 1 1 A 19 19 GLU H H 19 8.331 8.525 -0.194 1
1 222 . 15 1 1 A 19 19 GLU HA H 19 4.197 4.062 0.135 1
1 227 . 15 1 1 A 19 19 GLU C C 19 179.926 178.904 1.022 1
1 228 . 15 1 1 A 19 19 GLU CA C 19 58.483 59.148 -0.665 1
1 229 . 15 1 1 A 19 19 GLU CB C 19 28.508 29.470 -0.962 1
1 231 . 15 1 1 A 19 19 GLU N N 19 118.386 118.880 -0.494 1
1 232 . 15 1 1 A 20 20 LEU H H 20 8.270 7.637 0.633 1
1 233 . 15 1 1 A 20 20 LEU HA H 20 4.198 4.064 0.134 1
1 240 . 15 1 1 A 20 20 LEU C C 20 180.511 179.051 1.460 1
1 241 . 15 1 1 A 20 20 LEU CA C 20 57.429 58.008 -0.579 1
1 242 . 15 1 1 A 20 20 LEU CB C 20 40.978 41.725 -0.747 1
1 243 . 15 1 1 A 20 20 LEU N N 20 119.581 121.244 -1.663 1
1 244 . 15 1 1 A 21 21 VAL H H 21 9.479 8.574 0.905 1
1 245 . 15 1 1 A 21 21 VAL HA H 21 3.991 3.554 0.437 1
1 250 . 15 1 1 A 21 21 VAL C C 21 180.906 177.654 3.252 1
1 251 . 15 1 1 A 21 21 VAL CA C 21 66.562 67.026 -0.464 1
1 252 . 15 1 1 A 21 21 VAL CB C 21 31.435 31.410 0.025 1
1 254 . 15 1 1 A 21 21 VAL N N 21 125.030 119.260 5.770 1
1 255 . 15 1 1 A 22 22 ASP H H 22 8.401 8.671 -0.270 1
1 256 . 15 1 1 A 22 22 ASP HA H 22 4.541 4.488 0.053 1
1 259 . 15 1 1 A 22 22 ASP C C 22 177.204 176.596 0.608 1
1 260 . 15 1 1 A 22 22 ASP CA C 22 57.019 56.381 0.638 1
1 261 . 15 1 1 A 22 22 ASP CB C 22 39.983 41.215 -1.232 1
1 262 . 15 1 1 A 22 22 ASP N N 22 122.749 120.146 2.603 1
1 263 . 15 1 1 A 23 23 ALA H H 23 7.485 8.216 -0.731 1
1 264 . 15 1 1 A 23 23 ALA HA H 23 4.522 4.403 0.119 1
1 268 . 15 1 1 A 23 23 ALA C C 23 177.965 178.674 -0.709 1
1 269 . 15 1 1 A 23 23 ALA CA C 23 52.130 53.714 -1.584 1
1 270 . 15 1 1 A 23 23 ALA CB C 23 18.673 20.540 -1.867 1
1 271 . 15 1 1 A 23 23 ALA N N 23 119.207 119.616 -0.409 1
1 272 . 15 1 1 A 24 24 GLY H H 24 8.150 7.895 0.255 1
1 273 . 15 1 1 A 24 24 GLY HA2 H 24 4.183 4.064 0.119 1
1 274 . 15 1 1 A 24 24 GLY HA3 H 24 4.026 4.065 -0.039 1
1 275 . 15 1 1 A 24 24 GLY C C 24 174.731 172.558 2.173 1
1 276 . 15 1 1 A 24 24 GLY CA C 24 45.916 44.779 1.137 1
1 277 . 15 1 1 A 24 24 GLY N N 24 108.009 104.160 3.849 1
1 278 . 15 1 1 A 25 25 THR H H 25 7.786 8.303 -0.517 1
1 279 . 15 1 1 A 25 25 THR HA H 25 4.151 4.649 -0.498 1
1 284 . 15 1 1 A 25 25 THR C C 25 173.194 172.969 0.225 1
1 285 . 15 1 1 A 25 25 THR CA C 25 63.840 60.087 3.753 1
1 286 . 15 1 1 A 25 25 THR CB C 25 69.255 70.205 -0.950 1
1 288 . 15 1 1 A 25 25 THR N N 25 117.202 118.688 -1.486 1
1 289 . 15 1 1 A 26 26 ALA H H 26 8.978 8.389 0.589 1
1 290 . 15 1 1 A 26 26 ALA HA H 26 4.391 4.248 0.143 1
1 294 . 15 1 1 A 26 26 ALA C C 26 178.935 178.461 0.474 1
1 295 . 15 1 1 A 26 26 ALA CA C 26 53.038 51.366 1.672 1
1 296 . 15 1 1 A 26 26 ALA CB C 26 18.566 17.953 0.613 1
1 297 . 15 1 1 A 26 26 ALA N N 26 128.127 126.277 1.850 1
1 298 . 15 1 1 A 27 27 GLU H H 27 8.803 8.702 0.101 1
1 299 . 15 1 1 A 27 27 GLU HA H 27 3.966 4.050 -0.084 1
1 304 . 15 1 1 A 27 27 GLU C C 27 179.999 178.756 1.243 1
1 305 . 15 1 1 A 27 27 GLU CA C 27 59.465 59.065 0.400 1
1 306 . 15 1 1 A 27 27 GLU CB C 27 29.211 28.831 0.380 1
1 308 . 15 1 1 A 27 27 GLU N N 27 123.075 123.951 -0.876 1
1 309 . 15 1 1 A 28 28 LYS H H 28 8.455 7.946 0.509 1
1 310 . 15 1 1 A 28 28 LYS HA H 28 4.048 4.026 0.022 1
1 315 . 15 1 1 A 28 28 LYS C C 28 177.394 178.893 -1.499 1
1 316 . 15 1 1 A 28 28 LYS CA C 28 58.951 59.073 -0.122 1
1 317 . 15 1 1 A 28 28 LYS CB C 28 29.504 32.068 -2.564 1
1 320 . 15 1 1 A 28 28 LYS N N 28 119.368 120.088 -0.720 1
1 321 . 15 1 1 A 29 29 TYR H H 29 7.349 8.293 -0.944 1
1 322 . 15 1 1 A 29 29 TYR HA H 29 4.768 4.212 0.556 1
1 329 . 15 1 1 A 29 29 TYR C C 29 177.496 178.398 -0.902 1
1 330 . 15 1 1 A 29 29 TYR CA C 29 58.599 61.382 -2.783 1
1 331 . 15 1 1 A 29 29 TYR CB C 29 38.229 38.363 -0.134 1
1 336 . 15 1 1 A 29 29 TYR N N 29 117.039 120.065 -3.026 1
1 337 . 15 1 1 A 30 30 ILE H H 30 7.535 8.546 -1.011 1
1 338 . 15 1 1 A 30 30 ILE HA H 30 3.638 3.731 -0.093 1
1 348 . 15 1 1 A 30 30 ILE C C 30 178.462 178.493 -0.031 1
1 349 . 15 1 1 A 30 30 ILE CA C 30 65.156 64.748 0.408 1
1 350 . 15 1 1 A 30 30 ILE CB C 30 36.867 37.201 -0.334 1
1 353 . 15 1 1 A 30 30 ILE N N 30 120.828 120.662 0.166 1
1 354 . 15 1 1 A 31 31 LYS H H 31 7.862 7.841 0.021 1
1 355 . 15 1 1 A 31 31 LYS HA H 31 4.053 4.077 -0.024 1
1 360 . 15 1 1 A 31 31 LYS C C 31 178.243 178.456 -0.213 1
1 361 . 15 1 1 A 31 31 LYS CA C 31 58.796 58.900 -0.104 1
1 362 . 15 1 1 A 31 31 LYS CB C 31 31.723 31.953 -0.230 1
1 365 . 15 1 1 A 31 31 LYS N N 31 116.578 121.865 -5.287 1
1 366 . 15 1 1 A 32 32 LEU H H 32 7.353 7.719 -0.366 1
1 367 . 15 1 1 A 32 32 LEU HA H 32 4.128 4.115 0.013 1
1 373 . 15 1 1 A 32 32 LEU C C 32 180.028 178.745 1.283 1
1 374 . 15 1 1 A 32 32 LEU CA C 32 57.809 57.654 0.155 1
1 375 . 15 1 1 A 32 32 LEU CB C 32 41.196 41.780 -0.584 1
1 378 . 15 1 1 A 32 32 LEU N N 32 117.030 120.339 -3.309 1
1 379 . 15 1 1 A 33 33 ILE H H 33 7.494 7.643 -0.149 1
1 380 . 15 1 1 A 33 33 ILE HA H 33 3.760 3.977 -0.217 1
1 387 . 15 1 1 A 33 33 ILE C C 33 178.477 177.927 0.550 1
1 388 . 15 1 1 A 33 33 ILE CA C 33 62.407 63.650 -1.243 1
1 389 . 15 1 1 A 33 33 ILE CB C 33 35.407 37.308 -1.901 1
1 391 . 15 1 1 A 33 33 ILE N N 33 118.141 115.103 3.038 1
1 392 . 15 1 1 A 34 34 ALA H H 34 7.777 7.550 0.227 1
1 393 . 15 1 1 A 34 34 ALA HA H 34 4.031 4.009 0.022 1
1 397 . 15 1 1 A 34 34 ALA C C 34 178.857 178.914 -0.057 1
1 398 . 15 1 1 A 34 34 ALA CA C 34 54.662 54.834 -0.172 1
1 399 . 15 1 1 A 34 34 ALA CB C 34 18.492 18.544 -0.052 1
1 400 . 15 1 1 A 34 34 ALA N N 34 119.230 123.965 -4.735 1
1 401 . 15 1 1 A 35 35 ASN H H 35 7.418 7.490 -0.072 1
1 402 . 15 1 1 A 35 35 ASN HA H 35 4.863 4.772 0.091 1
1 407 . 15 1 1 A 35 35 ASN C C 35 175.345 175.595 -0.250 1
1 408 . 15 1 1 A 35 35 ASN CA C 35 52.686 52.320 0.366 1
1 409 . 15 1 1 A 35 35 ASN CB C 35 39.075 38.570 0.505 1
1 410 . 15 1 1 A 35 35 ASN N N 35 113.022 115.233 -2.211 1
1 412 . 15 1 1 A 36 36 ALA H H 36 7.529 7.810 -0.281 1
1 413 . 15 1 1 A 36 36 ALA HA H 36 4.329 4.130 0.199 1
1 417 . 15 1 1 A 36 36 ALA C C 36 177.862 177.958 -0.096 1
1 418 . 15 1 1 A 36 36 ALA CA C 36 53.389 53.294 0.095 1
1 419 . 15 1 1 A 36 36 ALA CB C 36 19.141 19.331 -0.190 1
1 420 . 15 1 1 A 36 36 ALA N N 36 124.061 122.737 1.324 1
1 421 . 15 1 1 A 37 37 LYS H H 37 8.891 8.993 -0.102 1
1 422 . 15 1 1 A 37 37 LYS HA H 37 4.450 4.607 -0.157 1
1 427 . 15 1 1 A 37 37 LYS C C 37 176.758 175.363 1.395 1
1 428 . 15 1 1 A 37 37 LYS CA C 37 56.476 55.558 0.918 1
1 429 . 15 1 1 A 37 37 LYS CB C 37 34.789 33.087 1.702 1
1 433 . 15 1 1 A 37 37 LYS N N 37 117.071 121.708 -4.637 1
1 434 . 15 1 1 A 38 38 THR H H 38 7.406 7.546 -0.140 1
1 435 . 15 1 1 A 38 38 THR HA H 38 4.704 4.772 -0.068 1
1 440 . 15 1 1 A 38 38 THR C C 38 173.984 174.624 -0.640 1
1 441 . 15 1 1 A 38 38 THR CA C 38 58.248 60.928 -2.680 1
1 442 . 15 1 1 A 38 38 THR CB C 38 72.884 72.452 0.432 1
1 444 . 15 1 1 A 38 38 THR N N 38 106.340 114.470 -8.130 1
1 445 . 15 1 1 A 39 39 VAL H H 39 8.967 9.035 -0.068 1
1 446 . 15 1 1 A 39 39 VAL HA H 39 3.208 3.977 -0.769 1
1 451 . 15 1 1 A 39 39 VAL C C 39 176.735 178.223 -1.488 1
1 452 . 15 1 1 A 39 39 VAL CA C 39 67.315 65.757 1.558 1
1 453 . 15 1 1 A 39 39 VAL CB C 39 30.909 31.692 -0.783 1
1 455 . 15 1 1 A 39 39 VAL N N 39 122.904 125.729 -2.825 1
1 456 . 15 1 1 A 40 40 GLU H H 40 8.900 8.205 0.695 1
1 457 . 15 1 1 A 40 40 GLU HA H 40 4.076 4.097 -0.021 1
1 462 . 15 1 1 A 40 40 GLU C C 40 179.355 179.159 0.196 1
1 463 . 15 1 1 A 40 40 GLU CA C 40 60.061 59.470 0.591 1
1 464 . 15 1 1 A 40 40 GLU CB C 40 28.401 29.065 -0.664 1
1 466 . 15 1 1 A 40 40 GLU N N 40 118.190 122.298 -4.108 1
1 467 . 15 1 1 A 41 41 GLY H H 41 8.199 8.243 -0.044 1
1 468 . 15 1 1 A 41 41 GLY HA2 H 41 4.039 3.657 0.382 1
1 469 . 15 1 1 A 41 41 GLY HA3 H 41 3.919 3.661 0.258 1
1 470 . 15 1 1 A 41 41 GLY C C 41 176.267 176.581 -0.314 1
1 471 . 15 1 1 A 41 41 GLY CA C 41 46.167 47.121 -0.954 1
1 472 . 15 1 1 A 41 41 GLY N N 41 108.663 107.994 0.669 1
1 473 . 15 1 1 A 42 42 VAL H H 42 7.662 7.786 -0.124 1
1 474 . 15 1 1 A 42 42 VAL HA H 42 3.182 3.813 -0.631 1
1 479 . 15 1 1 A 42 42 VAL C C 42 177.014 178.376 -1.362 1
1 480 . 15 1 1 A 42 42 VAL CA C 42 67.030 65.737 1.293 1
1 481 . 15 1 1 A 42 42 VAL CB C 42 30.616 31.972 -1.356 1
1 483 . 15 1 1 A 42 42 VAL N N 42 123.036 121.285 1.751 1
1 484 . 15 1 1 A 43 43 TRP H H 43 7.726 8.274 -0.548 1
1 485 . 15 1 1 A 43 43 TRP HA H 43 4.640 4.330 0.310 1
1 494 . 15 1 1 A 43 43 TRP C C 43 179.135 178.870 0.265 1
1 495 . 15 1 1 A 43 43 TRP CA C 43 59.208 60.060 -0.852 1
1 496 . 15 1 1 A 43 43 TRP CB C 43 29.033 29.137 -0.104 1
1 502 . 15 1 1 A 43 43 TRP N N 43 118.730 120.471 -1.741 1
1 504 . 15 1 1 A 44 44 THR H H 44 8.545 8.151 0.394 1
1 505 . 15 1 1 A 44 44 THR HA H 44 4.223 4.150 0.073 1
1 510 . 15 1 1 A 44 44 THR C C 44 177.189 176.926 0.263 1
1 511 . 15 1 1 A 44 44 THR CA C 44 66.351 65.576 0.775 1
1 512 . 15 1 1 A 44 44 THR CB C 44 68.921 68.496 0.425 1
1 514 . 15 1 1 A 44 44 THR N N 44 115.228 112.684 2.544 1
1 515 . 15 1 1 A 45 45 LEU H H 45 7.961 8.035 -0.074 1
1 516 . 15 1 1 A 45 45 LEU HA H 45 4.299 3.844 0.455 1
1 523 . 15 1 1 A 45 45 LEU C C 45 178.301 179.148 -0.847 1
1 524 . 15 1 1 A 45 45 LEU CA C 45 57.759 58.316 -0.557 1
1 525 . 15 1 1 A 45 45 LEU CB C 45 42.462 41.812 0.650 1
1 527 . 15 1 1 A 45 45 LEU N N 45 123.256 123.751 -0.495 1
1 528 . 15 1 1 A 46 46 LYS H H 46 8.645 8.007 0.638 1
1 529 . 15 1 1 A 46 46 LYS HA H 46 3.850 3.980 -0.130 1
1 536 . 15 1 1 A 46 46 LYS C C 46 177.716 178.239 -0.523 1
1 537 . 15 1 1 A 46 46 LYS CA C 46 60.731 58.951 1.780 1
1 538 . 15 1 1 A 46 46 LYS CB C 46 30.700 32.173 -1.473 1
1 540 . 15 1 1 A 46 46 LYS N N 46 119.178 117.884 1.294 1
1 541 . 15 1 1 A 47 47 ASP H H 47 7.711 7.988 -0.277 1
1 542 . 15 1 1 A 47 47 ASP HA H 47 4.539 4.411 0.128 1
1 545 . 15 1 1 A 47 47 ASP C C 47 178.755 178.493 0.262 1
1 546 . 15 1 1 A 47 47 ASP CA C 47 57.095 56.716 0.379 1
1 547 . 15 1 1 A 47 47 ASP CB C 47 40.138 41.210 -1.072 1
1 548 . 15 1 1 A 47 47 ASP N N 47 117.538 119.575 -2.037 1
1 549 . 15 1 1 A 48 48 GLU H H 48 7.951 8.539 -0.588 1
1 550 . 15 1 1 A 48 48 GLU HA H 48 3.989 4.103 -0.114 1
1 555 . 15 1 1 A 48 48 GLU C C 48 179.165 180.047 -0.882 1
1 556 . 15 1 1 A 48 48 GLU CA C 48 59.143 59.215 -0.072 1
1 557 . 15 1 1 A 48 48 GLU CB C 48 29.783 29.577 0.206 1
1 559 . 15 1 1 A 48 48 GLU N N 48 121.677 118.579 3.098 1
1 560 . 15 1 1 A 49 49 ILE H H 49 8.602 7.566 1.036 1
1 561 . 15 1 1 A 49 49 ILE HA H 49 3.834 3.684 0.150 1
1 568 . 15 1 1 A 49 49 ILE C C 49 177.379 178.692 -1.313 1
1 569 . 15 1 1 A 49 49 ILE CA C 49 64.044 65.142 -1.098 1
1 570 . 15 1 1 A 49 49 ILE CB C 49 37.896 37.346 0.550 1
1 572 . 15 1 1 A 49 49 ILE N N 49 120.326 120.997 -0.671 1
1 573 . 15 1 1 A 50 50 LYS H H 50 7.785 7.756 0.029 1
1 574 . 15 1 1 A 50 50 LYS HA H 50 4.057 4.157 -0.100 1
1 583 . 15 1 1 A 50 50 LYS C C 50 177.848 179.383 -1.535 1
1 584 . 15 1 1 A 50 50 LYS CA C 50 59.629 59.494 0.135 1
1 585 . 15 1 1 A 50 50 LYS CB C 50 32.026 32.128 -0.102 1
1 587 . 15 1 1 A 50 50 LYS N N 50 119.242 120.092 -0.850 1
1 588 . 15 1 1 A 51 51 THR H H 51 7.609 7.329 0.280 1
1 589 . 15 1 1 A 51 51 THR HA H 51 4.344 4.183 0.161 1
1 594 . 15 1 1 A 51 51 THR C C 51 175.360 174.953 0.407 1
1 595 . 15 1 1 A 51 51 THR CA C 51 63.224 65.750 -2.526 1
1 596 . 15 1 1 A 51 51 THR CB C 51 69.781 69.415 0.366 1
1 598 . 15 1 1 A 51 51 THR N N 51 109.871 113.987 -4.116 1
1 599 . 15 1 1 A 52 52 PHE H H 52 7.645 7.938 -0.293 1
1 600 . 15 1 1 A 52 52 PHE HA H 52 4.810 4.782 0.028 1
1 607 . 15 1 1 A 52 52 PHE C C 52 176.750 173.752 2.998 1
1 608 . 15 1 1 A 52 52 PHE CA C 52 56.960 56.120 0.840 1
1 609 . 15 1 1 A 52 52 PHE CB C 52 37.622 41.416 -3.794 1
1 614 . 15 1 1 A 52 52 PHE N N 52 120.960 114.923 6.037 1
1 615 . 15 1 1 A 53 53 THR H H 53 8.124 8.300 -0.176 1
1 616 . 15 1 1 A 53 53 THR HA H 53 4.472 4.237 0.235 1
1 621 . 15 1 1 A 53 53 THR C C 53 174.394 172.438 1.956 1
1 622 . 15 1 1 A 53 53 THR CA C 53 62.464 61.319 1.145 1
1 623 . 15 1 1 A 53 53 THR CB C 53 70.045 69.046 0.999 1
1 625 . 15 1 1 A 53 53 THR N N 53 113.896 113.029 0.867 1
1 626 . 15 1 1 A 54 54 VAL H H 54 8.114 7.542 0.572 1
1 627 . 15 1 1 A 54 54 VAL HA H 54 4.346 4.444 -0.098 1
1 632 . 15 1 1 A 54 54 VAL C C 54 176.209 175.652 0.557 1
1 633 . 15 1 1 A 54 54 VAL CA C 54 62.128 60.941 1.187 1
1 634 . 15 1 1 A 54 54 VAL CB C 54 32.694 34.081 -1.387 1
1 636 . 15 1 1 A 54 54 VAL N N 54 122.467 126.142 -3.675 1
1 637 . 15 1 1 A 55 55 THR H H 55 8.362 8.370 -0.008 1
1 638 . 15 1 1 A 55 55 THR HA H 55 4.409 4.008 0.401 1
1 643 . 15 1 1 A 55 55 THR C C 55 173.648 174.288 -0.640 1
1 644 . 15 1 1 A 55 55 THR CA C 55 61.875 61.975 -0.100 1
1 645 . 15 1 1 A 55 55 THR CB C 55 69.860 67.667 2.193 1
1 647 . 15 1 1 A 55 55 THR N N 55 118.624 117.685 0.939 1
1 3 . 16 1 1 A 2 2 THR H H 2 8.109 8.736 -0.627 1
1 4 . 16 1 1 A 2 2 THR HA H 2 4.400 4.533 -0.133 1
1 9 . 16 1 1 A 2 2 THR C C 2 173.933 173.727 0.206 1
1 10 . 16 1 1 A 2 2 THR CA C 2 61.842 60.400 1.442 1
1 11 . 16 1 1 A 2 2 THR CB C 2 69.793 67.870 1.923 1
1 13 . 16 1 1 A 2 2 THR N N 2 128.532 120.958 7.574 1
1 14 . 16 1 1 A 3 3 TYR H H 3 8.424 8.004 0.420 1
1 15 . 16 1 1 A 3 3 TYR HA H 3 4.434 4.719 -0.285 1
1 22 . 16 1 1 A 3 3 TYR C C 3 175.696 175.801 -0.105 1
1 23 . 16 1 1 A 3 3 TYR CA C 3 58.210 58.388 -0.178 1
1 24 . 16 1 1 A 3 3 TYR CB C 3 38.473 38.998 -0.525 1
1 27 . 16 1 1 A 3 3 TYR N N 3 123.975 122.817 1.158 1
1 28 . 16 1 1 A 4 4 LYS H H 4 8.160 8.682 -0.522 1
1 29 . 16 1 1 A 4 4 LYS HA H 4 4.217 5.152 -0.935 1
1 36 . 16 1 1 A 4 4 LYS C C 4 175.989 174.843 1.146 1
1 37 . 16 1 1 A 4 4 LYS CA C 4 56.657 54.429 2.228 1
1 38 . 16 1 1 A 4 4 LYS CB C 4 32.834 36.840 -4.006 1
1 42 . 16 1 1 A 4 4 LYS N N 4 122.591 119.903 2.688 1
1 43 . 16 1 1 A 5 5 LEU H H 5 8.050 8.710 -0.660 1
1 44 . 16 1 1 A 5 5 LEU HA H 5 4.325 4.798 -0.473 1
1 50 . 16 1 1 A 5 5 LEU C C 5 177.233 174.960 2.273 1
1 51 . 16 1 1 A 5 5 LEU CA C 5 55.392 54.142 1.250 1
1 52 . 16 1 1 A 5 5 LEU CB C 5 41.995 45.742 -3.747 1
1 56 . 16 1 1 A 5 5 LEU N N 5 122.335 120.937 1.398 1
1 57 . 16 1 1 A 6 6 ILE H H 6 8.136 8.928 -0.792 1
1 58 . 16 1 1 A 6 6 ILE HA H 6 4.230 4.135 0.095 1
1 68 . 16 1 1 A 6 6 ILE C C 6 176.253 175.309 0.944 1
1 69 . 16 1 1 A 6 6 ILE CA C 6 61.256 61.273 -0.017 1
1 70 . 16 1 1 A 6 6 ILE CB C 6 38.070 36.944 1.126 1
1 74 . 16 1 1 A 6 6 ILE N N 6 122.472 126.043 -3.571 1
1 75 . 16 1 1 A 7 7 LEU H H 7 8.234 8.072 0.162 1
1 76 . 16 1 1 A 7 7 LEU HA H 7 4.521 4.229 0.292 1
1 82 . 16 1 1 A 7 7 LEU C C 7 177.087 177.737 -0.650 1
1 83 . 16 1 1 A 7 7 LEU CA C 7 55.268 58.073 -2.805 1
1 84 . 16 1 1 A 7 7 LEU CB C 7 42.738 42.062 0.676 1
1 87 . 16 1 1 A 7 7 LEU N N 7 125.667 129.465 -3.798 1
1 88 . 16 1 1 A 8 8 ASN H H 8 8.195 7.902 0.293 1
1 89 . 16 1 1 A 8 8 ASN HA H 8 4.801 5.043 -0.242 1
1 94 . 16 1 1 A 8 8 ASN C C 8 175.345 176.117 -0.772 1
1 95 . 16 1 1 A 8 8 ASN CA C 8 52.541 52.551 -0.010 1
1 96 . 16 1 1 A 8 8 ASN CB C 8 38.782 39.345 -0.563 1
1 97 . 16 1 1 A 8 8 ASN N N 8 118.150 114.778 3.372 1
1 99 . 16 1 1 A 9 9 LEU H H 9 8.434 7.932 0.502 1
1 100 . 16 1 1 A 9 9 LEU HA H 9 3.974 4.290 -0.316 1
1 109 . 16 1 1 A 9 9 LEU C C 9 177.160 179.176 -2.016 1
1 110 . 16 1 1 A 9 9 LEU CA C 9 58.418 56.963 1.455 1
1 111 . 16 1 1 A 9 9 LEU CB C 9 42.073 42.089 -0.016 1
1 114 . 16 1 1 A 9 9 LEU N N 9 121.944 121.817 0.127 1
1 115 . 16 1 1 A 10 10 LYS H H 10 8.115 8.238 -0.123 1
1 116 . 16 1 1 A 10 10 LYS HA H 10 3.964 3.935 0.029 1
1 121 . 16 1 1 A 10 10 LYS C C 10 178.535 178.340 0.195 1
1 122 . 16 1 1 A 10 10 LYS CA C 10 60.121 60.265 -0.144 1
1 123 . 16 1 1 A 10 10 LYS CB C 10 32.108 32.171 -0.063 1
1 126 . 16 1 1 A 10 10 LYS N N 10 118.923 117.662 1.261 1
1 127 . 16 1 1 A 11 11 GLN H H 11 7.647 8.001 -0.354 1
1 128 . 16 1 1 A 11 11 GLN HA H 11 4.198 4.050 0.148 1
1 135 . 16 1 1 A 11 11 GLN C C 11 179.267 177.737 1.530 1
1 136 . 16 1 1 A 11 11 GLN CA C 11 59.331 58.484 0.847 1
1 137 . 16 1 1 A 11 11 GLN CB C 11 29.621 28.716 0.905 1
1 139 . 16 1 1 A 11 11 GLN N N 11 117.482 119.015 -1.533 1
1 141 . 16 1 1 A 12 12 ALA H H 12 8.431 7.733 0.698 1
1 142 . 16 1 1 A 12 12 ALA HA H 12 4.200 2.815 1.385 1
1 146 . 16 1 1 A 12 12 ALA C C 12 179.809 179.389 0.420 1
1 147 . 16 1 1 A 12 12 ALA CA C 12 55.484 55.026 0.458 1
1 148 . 16 1 1 A 12 12 ALA CB C 12 18.673 18.463 0.210 1
1 149 . 16 1 1 A 12 12 ALA N N 12 122.387 122.283 0.104 1
1 150 . 16 1 1 A 13 13 LYS H H 13 8.361 8.879 -0.518 1
1 151 . 16 1 1 A 13 13 LYS HA H 13 3.671 3.890 -0.219 1
1 158 . 16 1 1 A 13 13 LYS C C 13 177.701 178.431 -0.730 1
1 159 . 16 1 1 A 13 13 LYS CA C 13 60.773 59.461 1.312 1
1 160 . 16 1 1 A 13 13 LYS CB C 13 33.191 32.480 0.711 1
1 163 . 16 1 1 A 13 13 LYS N N 13 116.790 117.209 -0.419 1
1 164 . 16 1 1 A 14 14 GLU H H 14 7.953 7.942 0.011 1
1 165 . 16 1 1 A 14 14 GLU HA H 14 3.979 3.937 0.042 1
1 170 . 16 1 1 A 14 14 GLU C C 14 178.067 178.828 -0.761 1
1 171 . 16 1 1 A 14 14 GLU CA C 14 59.824 59.630 0.194 1
1 172 . 16 1 1 A 14 14 GLU CB C 14 29.389 29.027 0.362 1
1 174 . 16 1 1 A 14 14 GLU N N 14 116.988 119.473 -2.485 1
1 175 . 16 1 1 A 15 15 GLU H H 15 8.442 7.808 0.634 1
1 176 . 16 1 1 A 15 15 GLU HA H 15 4.053 3.984 0.069 1
1 179 . 16 1 1 A 15 15 GLU C C 15 178.374 179.240 -0.866 1
1 180 . 16 1 1 A 15 15 GLU CA C 15 58.307 58.851 -0.544 1
1 181 . 16 1 1 A 15 15 GLU CB C 15 29.030 28.337 0.693 1
1 183 . 16 1 1 A 15 15 GLU N N 15 115.659 119.578 -3.919 1
1 184 . 16 1 1 A 16 16 ALA H H 16 8.555 8.002 0.553 1
1 185 . 16 1 1 A 16 16 ALA HA H 16 4.199 3.926 0.273 1
1 189 . 16 1 1 A 16 16 ALA C C 16 179.399 179.923 -0.524 1
1 190 . 16 1 1 A 16 16 ALA CA C 16 55.233 55.083 0.150 1
1 191 . 16 1 1 A 16 16 ALA CB C 16 17.853 18.302 -0.449 1
1 192 . 16 1 1 A 16 16 ALA N N 16 122.104 122.771 -0.667 1
1 193 . 16 1 1 A 17 17 ILE H H 17 8.719 7.556 1.163 1
1 194 . 16 1 1 A 17 17 ILE HA H 17 3.593 3.707 -0.114 1
1 201 . 16 1 1 A 17 17 ILE C C 17 177.131 177.552 -0.421 1
1 202 . 16 1 1 A 17 17 ILE CA C 17 66.796 64.752 2.044 1
1 203 . 16 1 1 A 17 17 ILE CB C 17 37.700 37.621 0.079 1
1 205 . 16 1 1 A 17 17 ILE N N 17 117.581 118.687 -1.106 1
1 206 . 16 1 1 A 18 18 LYS H H 18 7.795 7.877 -0.082 1
1 207 . 16 1 1 A 18 18 LYS HA H 18 4.025 3.905 0.120 1
1 214 . 16 1 1 A 18 18 LYS C C 18 179.340 178.788 0.552 1
1 215 . 16 1 1 A 18 18 LYS CA C 18 59.829 59.784 0.045 1
1 216 . 16 1 1 A 18 18 LYS CB C 18 32.079 32.186 -0.107 1
1 220 . 16 1 1 A 18 18 LYS N N 18 119.291 120.824 -1.533 1
1 221 . 16 1 1 A 19 19 GLU H H 19 8.331 8.910 -0.579 1
1 222 . 16 1 1 A 19 19 GLU HA H 19 4.197 4.008 0.189 1
1 227 . 16 1 1 A 19 19 GLU C C 19 179.926 179.488 0.438 1
1 228 . 16 1 1 A 19 19 GLU CA C 19 58.483 59.015 -0.532 1
1 229 . 16 1 1 A 19 19 GLU CB C 19 28.508 29.419 -0.911 1
1 231 . 16 1 1 A 19 19 GLU N N 19 118.386 118.875 -0.489 1
1 232 . 16 1 1 A 20 20 LEU H H 20 8.270 7.587 0.683 1
1 233 . 16 1 1 A 20 20 LEU HA H 20 4.198 4.079 0.119 1
1 240 . 16 1 1 A 20 20 LEU C C 20 180.511 178.676 1.835 1
1 241 . 16 1 1 A 20 20 LEU CA C 20 57.429 58.029 -0.600 1
1 242 . 16 1 1 A 20 20 LEU CB C 20 40.978 41.482 -0.504 1
1 243 . 16 1 1 A 20 20 LEU N N 20 119.581 121.716 -2.135 1
1 244 . 16 1 1 A 21 21 VAL H H 21 9.479 8.777 0.702 1
1 245 . 16 1 1 A 21 21 VAL HA H 21 3.991 3.498 0.493 1
1 250 . 16 1 1 A 21 21 VAL C C 21 180.906 178.366 2.540 1
1 251 . 16 1 1 A 21 21 VAL CA C 21 66.562 67.168 -0.606 1
1 252 . 16 1 1 A 21 21 VAL CB C 21 31.435 31.205 0.230 1
1 254 . 16 1 1 A 21 21 VAL N N 21 125.030 119.194 5.836 1
1 255 . 16 1 1 A 22 22 ASP H H 22 8.401 8.329 0.072 1
1 256 . 16 1 1 A 22 22 ASP HA H 22 4.541 4.358 0.183 1
1 259 . 16 1 1 A 22 22 ASP C C 22 177.204 177.077 0.127 1
1 260 . 16 1 1 A 22 22 ASP CA C 22 57.019 56.658 0.361 1
1 261 . 16 1 1 A 22 22 ASP CB C 22 39.983 40.998 -1.015 1
1 262 . 16 1 1 A 22 22 ASP N N 22 122.749 120.982 1.767 1
1 263 . 16 1 1 A 23 23 ALA H H 23 7.485 8.047 -0.562 1
1 264 . 16 1 1 A 23 23 ALA HA H 23 4.522 4.648 -0.126 1
1 268 . 16 1 1 A 23 23 ALA C C 23 177.965 177.333 0.632 1
1 269 . 16 1 1 A 23 23 ALA CA C 23 52.130 53.057 -0.927 1
1 270 . 16 1 1 A 23 23 ALA CB C 23 18.673 20.811 -2.138 1
1 271 . 16 1 1 A 23 23 ALA N N 23 119.207 119.491 -0.284 1
1 272 . 16 1 1 A 24 24 GLY H H 24 8.150 7.626 0.524 1
1 273 . 16 1 1 A 24 24 GLY HA2 H 24 4.183 4.085 0.098 1
1 274 . 16 1 1 A 24 24 GLY HA3 H 24 4.026 4.088 -0.062 1
1 275 . 16 1 1 A 24 24 GLY C C 24 174.731 174.201 0.530 1
1 276 . 16 1 1 A 24 24 GLY CA C 24 45.916 45.596 0.320 1
1 277 . 16 1 1 A 24 24 GLY N N 24 108.009 103.753 4.256 1
1 278 . 16 1 1 A 25 25 THR H H 25 7.786 8.398 -0.612 1
1 279 . 16 1 1 A 25 25 THR HA H 25 4.151 4.287 -0.136 1
1 284 . 16 1 1 A 25 25 THR C C 25 173.194 173.594 -0.400 1
1 285 . 16 1 1 A 25 25 THR CA C 25 63.840 63.418 0.422 1
1 286 . 16 1 1 A 25 25 THR CB C 25 69.255 68.710 0.545 1
1 288 . 16 1 1 A 25 25 THR N N 25 117.202 117.125 0.077 1
1 289 . 16 1 1 A 26 26 ALA H H 26 8.978 8.393 0.585 1
1 290 . 16 1 1 A 26 26 ALA HA H 26 4.391 4.346 0.045 1
1 294 . 16 1 1 A 26 26 ALA C C 26 178.935 178.670 0.265 1
1 295 . 16 1 1 A 26 26 ALA CA C 26 53.038 51.652 1.386 1
1 296 . 16 1 1 A 26 26 ALA CB C 26 18.566 18.619 -0.053 1
1 297 . 16 1 1 A 26 26 ALA N N 26 128.127 127.422 0.705 1
1 298 . 16 1 1 A 27 27 GLU H H 27 8.803 8.840 -0.037 1
1 299 . 16 1 1 A 27 27 GLU HA H 27 3.966 4.082 -0.116 1
1 304 . 16 1 1 A 27 27 GLU C C 27 179.999 178.434 1.565 1
1 305 . 16 1 1 A 27 27 GLU CA C 27 59.465 59.031 0.434 1
1 306 . 16 1 1 A 27 27 GLU CB C 27 29.211 28.892 0.319 1
1 308 . 16 1 1 A 27 27 GLU N N 27 123.075 124.928 -1.853 1
1 309 . 16 1 1 A 28 28 LYS H H 28 8.455 8.139 0.316 1
1 310 . 16 1 1 A 28 28 LYS HA H 28 4.048 4.025 0.023 1
1 315 . 16 1 1 A 28 28 LYS C C 28 177.394 179.023 -1.629 1
1 316 . 16 1 1 A 28 28 LYS CA C 28 58.951 58.727 0.224 1
1 317 . 16 1 1 A 28 28 LYS CB C 28 29.504 32.212 -2.708 1
1 320 . 16 1 1 A 28 28 LYS N N 28 119.368 119.386 -0.018 1
1 321 . 16 1 1 A 29 29 TYR H H 29 7.349 8.248 -0.899 1
1 322 . 16 1 1 A 29 29 TYR HA H 29 4.768 4.306 0.462 1
1 329 . 16 1 1 A 29 29 TYR C C 29 177.496 178.493 -0.997 1
1 330 . 16 1 1 A 29 29 TYR CA C 29 58.599 61.195 -2.596 1
1 331 . 16 1 1 A 29 29 TYR CB C 29 38.229 38.178 0.051 1
1 336 . 16 1 1 A 29 29 TYR N N 29 117.039 119.845 -2.806 1
1 337 . 16 1 1 A 30 30 ILE H H 30 7.535 8.642 -1.107 1
1 338 . 16 1 1 A 30 30 ILE HA H 30 3.638 3.711 -0.073 1
1 348 . 16 1 1 A 30 30 ILE C C 30 178.462 178.297 0.165 1
1 349 . 16 1 1 A 30 30 ILE CA C 30 65.156 64.654 0.502 1
1 350 . 16 1 1 A 30 30 ILE CB C 30 36.867 36.564 0.303 1
1 353 . 16 1 1 A 30 30 ILE N N 30 120.828 120.686 0.142 1
1 354 . 16 1 1 A 31 31 LYS H H 31 7.862 7.856 0.006 1
1 355 . 16 1 1 A 31 31 LYS HA H 31 4.053 4.025 0.028 1
1 360 . 16 1 1 A 31 31 LYS C C 31 178.243 178.730 -0.487 1
1 361 . 16 1 1 A 31 31 LYS CA C 31 58.796 59.054 -0.258 1
1 362 . 16 1 1 A 31 31 LYS CB C 31 31.723 32.118 -0.395 1
1 365 . 16 1 1 A 31 31 LYS N N 31 116.578 121.975 -5.397 1
1 366 . 16 1 1 A 32 32 LEU H H 32 7.353 7.393 -0.040 1
1 367 . 16 1 1 A 32 32 LEU HA H 32 4.128 4.123 0.005 1
1 373 . 16 1 1 A 32 32 LEU C C 32 180.028 178.771 1.257 1
1 374 . 16 1 1 A 32 32 LEU CA C 32 57.809 57.262 0.547 1
1 375 . 16 1 1 A 32 32 LEU CB C 32 41.196 42.199 -1.003 1
1 378 . 16 1 1 A 32 32 LEU N N 32 117.030 120.169 -3.139 1
1 379 . 16 1 1 A 33 33 ILE H H 33 7.494 7.674 -0.180 1
1 380 . 16 1 1 A 33 33 ILE HA H 33 3.760 3.933 -0.173 1
1 387 . 16 1 1 A 33 33 ILE C C 33 178.477 177.768 0.709 1
1 388 . 16 1 1 A 33 33 ILE CA C 33 62.407 63.814 -1.407 1
1 389 . 16 1 1 A 33 33 ILE CB C 33 35.407 37.381 -1.974 1
1 391 . 16 1 1 A 33 33 ILE N N 33 118.141 115.485 2.656 1
1 392 . 16 1 1 A 34 34 ALA H H 34 7.777 7.856 -0.079 1
1 393 . 16 1 1 A 34 34 ALA HA H 34 4.031 3.963 0.068 1
1 397 . 16 1 1 A 34 34 ALA C C 34 178.857 179.124 -0.267 1
1 398 . 16 1 1 A 34 34 ALA CA C 34 54.662 55.505 -0.843 1
1 399 . 16 1 1 A 34 34 ALA CB C 34 18.492 18.927 -0.435 1
1 400 . 16 1 1 A 34 34 ALA N N 34 119.230 124.246 -5.016 1
1 401 . 16 1 1 A 35 35 ASN H H 35 7.418 7.385 0.033 1
1 402 . 16 1 1 A 35 35 ASN HA H 35 4.863 4.828 0.035 1
1 407 . 16 1 1 A 35 35 ASN C C 35 175.345 175.868 -0.523 1
1 408 . 16 1 1 A 35 35 ASN CA C 35 52.686 53.263 -0.577 1
1 409 . 16 1 1 A 35 35 ASN CB C 35 39.075 39.899 -0.824 1
1 410 . 16 1 1 A 35 35 ASN N N 35 113.022 115.206 -2.184 1
1 412 . 16 1 1 A 36 36 ALA H H 36 7.529 8.165 -0.636 1
1 413 . 16 1 1 A 36 36 ALA HA H 36 4.329 3.926 0.403 1
1 417 . 16 1 1 A 36 36 ALA C C 36 177.862 177.309 0.553 1
1 418 . 16 1 1 A 36 36 ALA CA C 36 53.389 54.300 -0.911 1
1 419 . 16 1 1 A 36 36 ALA CB C 36 19.141 18.174 0.967 1
1 420 . 16 1 1 A 36 36 ALA N N 36 124.061 120.802 3.259 1
1 421 . 16 1 1 A 37 37 LYS H H 37 8.891 8.100 0.791 1
1 422 . 16 1 1 A 37 37 LYS HA H 37 4.450 4.407 0.043 1
1 427 . 16 1 1 A 37 37 LYS C C 37 176.758 175.484 1.274 1
1 428 . 16 1 1 A 37 37 LYS CA C 37 56.476 56.740 -0.264 1
1 429 . 16 1 1 A 37 37 LYS CB C 37 34.789 35.389 -0.600 1
1 433 . 16 1 1 A 37 37 LYS N N 37 117.071 116.609 0.462 1
1 434 . 16 1 1 A 38 38 THR H H 38 7.406 7.662 -0.256 1
1 435 . 16 1 1 A 38 38 THR HA H 38 4.704 4.728 -0.024 1
1 440 . 16 1 1 A 38 38 THR C C 38 173.984 174.541 -0.557 1
1 441 . 16 1 1 A 38 38 THR CA C 38 58.248 61.220 -2.972 1
1 442 . 16 1 1 A 38 38 THR CB C 38 72.884 72.654 0.230 1
1 444 . 16 1 1 A 38 38 THR N N 38 106.340 112.786 -6.446 1
1 445 . 16 1 1 A 39 39 VAL H H 39 8.967 8.746 0.221 1
1 446 . 16 1 1 A 39 39 VAL HA H 39 3.208 3.963 -0.755 1
1 451 . 16 1 1 A 39 39 VAL C C 39 176.735 178.356 -1.621 1
1 452 . 16 1 1 A 39 39 VAL CA C 39 67.315 65.759 1.556 1
1 453 . 16 1 1 A 39 39 VAL CB C 39 30.909 31.733 -0.824 1
1 455 . 16 1 1 A 39 39 VAL N N 39 122.904 122.906 -0.002 1
1 456 . 16 1 1 A 40 40 GLU H H 40 8.900 8.213 0.687 1
1 457 . 16 1 1 A 40 40 GLU HA H 40 4.076 4.094 -0.018 1
1 462 . 16 1 1 A 40 40 GLU C C 40 179.355 179.246 0.109 1
1 463 . 16 1 1 A 40 40 GLU CA C 40 60.061 59.369 0.692 1
1 464 . 16 1 1 A 40 40 GLU CB C 40 28.401 29.047 -0.646 1
1 466 . 16 1 1 A 40 40 GLU N N 40 118.190 122.887 -4.697 1
1 467 . 16 1 1 A 41 41 GLY H H 41 8.199 8.395 -0.196 1
1 468 . 16 1 1 A 41 41 GLY HA2 H 41 4.039 3.762 0.277 1
1 469 . 16 1 1 A 41 41 GLY HA3 H 41 3.919 3.767 0.152 1
1 470 . 16 1 1 A 41 41 GLY C C 41 176.267 176.491 -0.224 1
1 471 . 16 1 1 A 41 41 GLY CA C 41 46.167 47.400 -1.233 1
1 472 . 16 1 1 A 41 41 GLY N N 41 108.663 108.349 0.314 1
1 473 . 16 1 1 A 42 42 VAL H H 42 7.662 7.864 -0.202 1
1 474 . 16 1 1 A 42 42 VAL HA H 42 3.182 3.784 -0.602 1
1 479 . 16 1 1 A 42 42 VAL C C 42 177.014 178.526 -1.512 1
1 480 . 16 1 1 A 42 42 VAL CA C 42 67.030 65.791 1.239 1
1 481 . 16 1 1 A 42 42 VAL CB C 42 30.616 31.709 -1.093 1
1 483 . 16 1 1 A 42 42 VAL N N 42 123.036 121.410 1.626 1
1 484 . 16 1 1 A 43 43 TRP H H 43 7.726 8.285 -0.559 1
1 485 . 16 1 1 A 43 43 TRP HA H 43 4.640 4.337 0.303 1
1 494 . 16 1 1 A 43 43 TRP C C 43 179.135 179.088 0.047 1
1 495 . 16 1 1 A 43 43 TRP CA C 43 59.208 60.115 -0.907 1
1 496 . 16 1 1 A 43 43 TRP CB C 43 29.033 29.130 -0.097 1
1 502 . 16 1 1 A 43 43 TRP N N 43 118.730 120.669 -1.939 1
1 504 . 16 1 1 A 44 44 THR H H 44 8.545 8.337 0.208 1
1 505 . 16 1 1 A 44 44 THR HA H 44 4.223 4.123 0.100 1
1 510 . 16 1 1 A 44 44 THR C C 44 177.189 176.303 0.886 1
1 511 . 16 1 1 A 44 44 THR CA C 44 66.351 67.332 -0.981 1
1 512 . 16 1 1 A 44 44 THR CB C 44 68.921 68.802 0.119 1
1 514 . 16 1 1 A 44 44 THR N N 44 115.228 117.089 -1.861 1
1 515 . 16 1 1 A 45 45 LEU H H 45 7.961 8.094 -0.133 1
1 516 . 16 1 1 A 45 45 LEU HA H 45 4.299 3.911 0.388 1
1 523 . 16 1 1 A 45 45 LEU C C 45 178.301 179.103 -0.802 1
1 524 . 16 1 1 A 45 45 LEU CA C 45 57.759 58.331 -0.572 1
1 525 . 16 1 1 A 45 45 LEU CB C 45 42.462 41.844 0.618 1
1 527 . 16 1 1 A 45 45 LEU N N 45 123.256 120.144 3.112 1
1 528 . 16 1 1 A 46 46 LYS H H 46 8.645 7.885 0.760 1
1 529 . 16 1 1 A 46 46 LYS HA H 46 3.850 3.981 -0.131 1
1 536 . 16 1 1 A 46 46 LYS C C 46 177.716 178.484 -0.768 1
1 537 . 16 1 1 A 46 46 LYS CA C 46 60.731 58.987 1.744 1
1 538 . 16 1 1 A 46 46 LYS CB C 46 30.700 32.113 -1.413 1
1 540 . 16 1 1 A 46 46 LYS N N 46 119.178 118.115 1.063 1
1 541 . 16 1 1 A 47 47 ASP H H 47 7.711 8.262 -0.551 1
1 542 . 16 1 1 A 47 47 ASP HA H 47 4.539 4.440 0.099 1
1 545 . 16 1 1 A 47 47 ASP C C 47 178.755 178.838 -0.083 1
1 546 . 16 1 1 A 47 47 ASP CA C 47 57.095 56.864 0.231 1
1 547 . 16 1 1 A 47 47 ASP CB C 47 40.138 40.162 -0.024 1
1 548 . 16 1 1 A 47 47 ASP N N 47 117.538 120.014 -2.476 1
1 549 . 16 1 1 A 48 48 GLU H H 48 7.951 9.165 -1.214 1
1 550 . 16 1 1 A 48 48 GLU HA H 48 3.989 4.051 -0.062 1
1 555 . 16 1 1 A 48 48 GLU C C 48 179.165 178.633 0.532 1
1 556 . 16 1 1 A 48 48 GLU CA C 48 59.143 59.121 0.022 1
1 557 . 16 1 1 A 48 48 GLU CB C 48 29.783 29.342 0.441 1
1 559 . 16 1 1 A 48 48 GLU N N 48 121.677 118.888 2.789 1
1 560 . 16 1 1 A 49 49 ILE H H 49 8.602 7.670 0.932 1
1 561 . 16 1 1 A 49 49 ILE HA H 49 3.834 3.622 0.212 1
1 568 . 16 1 1 A 49 49 ILE C C 49 177.379 178.129 -0.750 1
1 569 . 16 1 1 A 49 49 ILE CA C 49 64.044 64.736 -0.692 1
1 570 . 16 1 1 A 49 49 ILE CB C 49 37.896 36.226 1.670 1
1 572 . 16 1 1 A 49 49 ILE N N 49 120.326 120.174 0.152 1
1 573 . 16 1 1 A 50 50 LYS H H 50 7.785 7.627 0.158 1
1 574 . 16 1 1 A 50 50 LYS HA H 50 4.057 3.956 0.101 1
1 583 . 16 1 1 A 50 50 LYS C C 50 177.848 179.427 -1.579 1
1 584 . 16 1 1 A 50 50 LYS CA C 50 59.629 59.300 0.329 1
1 585 . 16 1 1 A 50 50 LYS CB C 50 32.026 32.172 -0.146 1
1 587 . 16 1 1 A 50 50 LYS N N 50 119.242 120.595 -1.353 1
1 588 . 16 1 1 A 51 51 THR H H 51 7.609 8.593 -0.984 1
1 589 . 16 1 1 A 51 51 THR HA H 51 4.344 4.137 0.207 1
1 594 . 16 1 1 A 51 51 THR C C 51 175.360 175.489 -0.129 1
1 595 . 16 1 1 A 51 51 THR CA C 51 63.224 64.874 -1.650 1
1 596 . 16 1 1 A 51 51 THR CB C 51 69.781 68.857 0.924 1
1 598 . 16 1 1 A 51 51 THR N N 51 109.871 111.748 -1.877 1
1 599 . 16 1 1 A 52 52 PHE H H 52 7.645 7.631 0.014 1
1 600 . 16 1 1 A 52 52 PHE HA H 52 4.810 4.623 0.187 1
1 607 . 16 1 1 A 52 52 PHE C C 52 176.750 175.221 1.529 1
1 608 . 16 1 1 A 52 52 PHE CA C 52 56.960 57.636 -0.676 1
1 609 . 16 1 1 A 52 52 PHE CB C 52 37.622 38.701 -1.079 1
1 614 . 16 1 1 A 52 52 PHE N N 52 120.960 122.574 -1.614 1
1 615 . 16 1 1 A 53 53 THR H H 53 8.124 7.563 0.561 1
1 616 . 16 1 1 A 53 53 THR HA H 53 4.472 4.298 0.174 1
1 621 . 16 1 1 A 53 53 THR C C 53 174.394 172.776 1.618 1
1 622 . 16 1 1 A 53 53 THR CA C 53 62.464 62.487 -0.023 1
1 623 . 16 1 1 A 53 53 THR CB C 53 70.045 68.426 1.619 1
1 625 . 16 1 1 A 53 53 THR N N 53 113.896 113.427 0.469 1
1 626 . 16 1 1 A 54 54 VAL H H 54 8.114 8.827 -0.713 1
1 627 . 16 1 1 A 54 54 VAL HA H 54 4.346 4.409 -0.063 1
1 632 . 16 1 1 A 54 54 VAL C C 54 176.209 176.048 0.161 1
1 633 . 16 1 1 A 54 54 VAL CA C 54 62.128 61.990 0.138 1
1 634 . 16 1 1 A 54 54 VAL CB C 54 32.694 32.005 0.689 1
1 636 . 16 1 1 A 54 54 VAL N N 54 122.467 123.428 -0.961 1
1 637 . 16 1 1 A 55 55 THR H H 55 8.362 8.736 -0.374 1
1 638 . 16 1 1 A 55 55 THR HA H 55 4.409 4.596 -0.187 1
1 643 . 16 1 1 A 55 55 THR C C 55 173.648 173.830 -0.182 1
1 644 . 16 1 1 A 55 55 THR CA C 55 61.875 62.305 -0.430 1
1 645 . 16 1 1 A 55 55 THR CB C 55 69.860 70.261 -0.401 1
1 647 . 16 1 1 A 55 55 THR N N 55 118.624 117.005 1.619 1
1 3 . 17 1 1 A 2 2 THR H H 2 8.109 8.172 -0.063 1
1 4 . 17 1 1 A 2 2 THR HA H 2 4.400 4.032 0.368 1
1 9 . 17 1 1 A 2 2 THR C C 2 173.933 173.104 0.829 1
1 10 . 17 1 1 A 2 2 THR CA C 2 61.842 63.061 -1.219 1
1 11 . 17 1 1 A 2 2 THR CB C 2 69.793 66.596 3.197 1
1 13 . 17 1 1 A 2 2 THR N N 2 128.532 114.915 13.617 1
1 14 . 17 1 1 A 3 3 TYR H H 3 8.424 7.809 0.615 1
1 15 . 17 1 1 A 3 3 TYR HA H 3 4.434 5.159 -0.725 1
1 22 . 17 1 1 A 3 3 TYR C C 3 175.696 174.622 1.074 1
1 23 . 17 1 1 A 3 3 TYR CA C 3 58.210 56.517 1.693 1
1 24 . 17 1 1 A 3 3 TYR CB C 3 38.473 43.412 -4.939 1
1 27 . 17 1 1 A 3 3 TYR N N 3 123.975 121.191 2.784 1
1 28 . 17 1 1 A 4 4 LYS H H 4 8.160 8.867 -0.707 1
1 29 . 17 1 1 A 4 4 LYS HA H 4 4.217 4.384 -0.167 1
1 36 . 17 1 1 A 4 4 LYS C C 4 175.989 176.367 -0.378 1
1 37 . 17 1 1 A 4 4 LYS CA C 4 56.657 55.747 0.910 1
1 38 . 17 1 1 A 4 4 LYS CB C 4 32.834 30.516 2.318 1
1 42 . 17 1 1 A 4 4 LYS N N 4 122.591 122.414 0.177 1
1 43 . 17 1 1 A 5 5 LEU H H 5 8.050 8.261 -0.211 1
1 44 . 17 1 1 A 5 5 LEU HA H 5 4.325 3.878 0.447 1
1 50 . 17 1 1 A 5 5 LEU C C 5 177.233 175.490 1.743 1
1 51 . 17 1 1 A 5 5 LEU CA C 5 55.392 56.311 -0.919 1
1 52 . 17 1 1 A 5 5 LEU CB C 5 41.995 41.147 0.848 1
1 56 . 17 1 1 A 5 5 LEU N N 5 122.335 115.856 6.479 1
1 57 . 17 1 1 A 6 6 ILE H H 6 8.136 7.699 0.437 1
1 58 . 17 1 1 A 6 6 ILE HA H 6 4.230 4.459 -0.229 1
1 68 . 17 1 1 A 6 6 ILE C C 6 176.253 174.822 1.431 1
1 69 . 17 1 1 A 6 6 ILE CA C 6 61.256 60.337 0.919 1
1 70 . 17 1 1 A 6 6 ILE CB C 6 38.070 39.582 -1.512 1
1 74 . 17 1 1 A 6 6 ILE N N 6 122.472 118.824 3.648 1
1 75 . 17 1 1 A 7 7 LEU H H 7 8.234 8.933 -0.699 1
1 76 . 17 1 1 A 7 7 LEU HA H 7 4.521 4.289 0.232 1
1 82 . 17 1 1 A 7 7 LEU C C 7 177.087 177.994 -0.907 1
1 83 . 17 1 1 A 7 7 LEU CA C 7 55.268 56.217 -0.949 1
1 84 . 17 1 1 A 7 7 LEU CB C 7 42.738 42.708 0.030 1
1 87 . 17 1 1 A 7 7 LEU N N 7 125.667 128.470 -2.803 1
1 88 . 17 1 1 A 8 8 ASN H H 8 8.195 7.984 0.211 1
1 89 . 17 1 1 A 8 8 ASN HA H 8 4.801 4.909 -0.108 1
1 94 . 17 1 1 A 8 8 ASN C C 8 175.345 175.920 -0.575 1
1 95 . 17 1 1 A 8 8 ASN CA C 8 52.541 54.065 -1.524 1
1 96 . 17 1 1 A 8 8 ASN CB C 8 38.782 41.230 -2.448 1
1 97 . 17 1 1 A 8 8 ASN N N 8 118.150 113.822 4.328 1
1 99 . 17 1 1 A 9 9 LEU H H 9 8.434 8.067 0.367 1
1 100 . 17 1 1 A 9 9 LEU HA H 9 3.974 4.093 -0.119 1
1 109 . 17 1 1 A 9 9 LEU C C 9 177.160 179.144 -1.984 1
1 110 . 17 1 1 A 9 9 LEU CA C 9 58.418 56.734 1.684 1
1 111 . 17 1 1 A 9 9 LEU CB C 9 42.073 41.825 0.248 1
1 114 . 17 1 1 A 9 9 LEU N N 9 121.944 119.264 2.680 1
1 115 . 17 1 1 A 10 10 LYS H H 10 8.115 8.135 -0.020 1
1 116 . 17 1 1 A 10 10 LYS HA H 10 3.964 3.864 0.100 1
1 121 . 17 1 1 A 10 10 LYS C C 10 178.535 179.005 -0.470 1
1 122 . 17 1 1 A 10 10 LYS CA C 10 60.121 60.358 -0.237 1
1 123 . 17 1 1 A 10 10 LYS CB C 10 32.108 31.991 0.117 1
1 126 . 17 1 1 A 10 10 LYS N N 10 118.923 118.470 0.453 1
1 127 . 17 1 1 A 11 11 GLN H H 11 7.647 8.102 -0.455 1
1 128 . 17 1 1 A 11 11 GLN HA H 11 4.198 4.117 0.081 1
1 135 . 17 1 1 A 11 11 GLN C C 11 179.267 177.892 1.375 1
1 136 . 17 1 1 A 11 11 GLN CA C 11 59.331 58.912 0.419 1
1 137 . 17 1 1 A 11 11 GLN CB C 11 29.621 28.864 0.757 1
1 139 . 17 1 1 A 11 11 GLN N N 11 117.482 119.231 -1.749 1
1 141 . 17 1 1 A 12 12 ALA H H 12 8.431 7.889 0.542 1
1 142 . 17 1 1 A 12 12 ALA HA H 12 4.200 2.808 1.392 1
1 146 . 17 1 1 A 12 12 ALA C C 12 179.809 178.946 0.863 1
1 147 . 17 1 1 A 12 12 ALA CA C 12 55.484 54.476 1.008 1
1 148 . 17 1 1 A 12 12 ALA CB C 12 18.673 17.365 1.308 1
1 149 . 17 1 1 A 12 12 ALA N N 12 122.387 121.528 0.859 1
1 150 . 17 1 1 A 13 13 LYS H H 13 8.361 8.740 -0.379 1
1 151 . 17 1 1 A 13 13 LYS HA H 13 3.671 3.823 -0.152 1
1 158 . 17 1 1 A 13 13 LYS C C 13 177.701 179.777 -2.076 1
1 159 . 17 1 1 A 13 13 LYS CA C 13 60.773 59.496 1.277 1
1 160 . 17 1 1 A 13 13 LYS CB C 13 33.191 32.322 0.869 1
1 163 . 17 1 1 A 13 13 LYS N N 13 116.790 117.182 -0.392 1
1 164 . 17 1 1 A 14 14 GLU H H 14 7.953 8.352 -0.399 1
1 165 . 17 1 1 A 14 14 GLU HA H 14 3.979 4.015 -0.036 1
1 170 . 17 1 1 A 14 14 GLU C C 14 178.067 179.330 -1.263 1
1 171 . 17 1 1 A 14 14 GLU CA C 14 59.824 59.635 0.189 1
1 172 . 17 1 1 A 14 14 GLU CB C 14 29.389 29.391 -0.002 1
1 174 . 17 1 1 A 14 14 GLU N N 14 116.988 119.534 -2.546 1
1 175 . 17 1 1 A 15 15 GLU H H 15 8.442 8.079 0.363 1
1 176 . 17 1 1 A 15 15 GLU HA H 15 4.053 4.135 -0.082 1
1 179 . 17 1 1 A 15 15 GLU C C 15 178.374 178.922 -0.548 1
1 180 . 17 1 1 A 15 15 GLU CA C 15 58.307 59.407 -1.100 1
1 181 . 17 1 1 A 15 15 GLU CB C 15 29.030 29.450 -0.420 1
1 183 . 17 1 1 A 15 15 GLU N N 15 115.659 119.924 -4.265 1
1 184 . 17 1 1 A 16 16 ALA H H 16 8.555 8.149 0.406 1
1 185 . 17 1 1 A 16 16 ALA HA H 16 4.199 4.070 0.129 1
1 189 . 17 1 1 A 16 16 ALA C C 16 179.399 179.448 -0.049 1
1 190 . 17 1 1 A 16 16 ALA CA C 16 55.233 55.246 -0.013 1
1 191 . 17 1 1 A 16 16 ALA CB C 16 17.853 17.848 0.005 1
1 192 . 17 1 1 A 16 16 ALA N N 16 122.104 121.704 0.400 1
1 193 . 17 1 1 A 17 17 ILE H H 17 8.719 7.605 1.114 1
1 194 . 17 1 1 A 17 17 ILE HA H 17 3.593 3.990 -0.397 1
1 201 . 17 1 1 A 17 17 ILE C C 17 177.131 177.559 -0.428 1
1 202 . 17 1 1 A 17 17 ILE CA C 17 66.796 63.469 3.327 1
1 203 . 17 1 1 A 17 17 ILE CB C 17 37.700 37.740 -0.040 1
1 205 . 17 1 1 A 17 17 ILE N N 17 117.581 118.839 -1.258 1
1 206 . 17 1 1 A 18 18 LYS H H 18 7.795 8.239 -0.444 1
1 207 . 17 1 1 A 18 18 LYS HA H 18 4.025 4.018 0.007 1
1 214 . 17 1 1 A 18 18 LYS C C 18 179.340 178.815 0.525 1
1 215 . 17 1 1 A 18 18 LYS CA C 18 59.829 59.741 0.088 1
1 216 . 17 1 1 A 18 18 LYS CB C 18 32.079 32.226 -0.147 1
1 220 . 17 1 1 A 18 18 LYS N N 18 119.291 121.743 -2.452 1
1 221 . 17 1 1 A 19 19 GLU H H 19 8.331 8.859 -0.528 1
1 222 . 17 1 1 A 19 19 GLU HA H 19 4.197 4.015 0.182 1
1 227 . 17 1 1 A 19 19 GLU C C 19 179.926 179.573 0.353 1
1 228 . 17 1 1 A 19 19 GLU CA C 19 58.483 59.179 -0.696 1
1 229 . 17 1 1 A 19 19 GLU CB C 19 28.508 29.394 -0.886 1
1 231 . 17 1 1 A 19 19 GLU N N 19 118.386 118.938 -0.552 1
1 232 . 17 1 1 A 20 20 LEU H H 20 8.270 7.761 0.509 1
1 233 . 17 1 1 A 20 20 LEU HA H 20 4.198 4.112 0.086 1
1 240 . 17 1 1 A 20 20 LEU C C 20 180.511 178.933 1.578 1
1 241 . 17 1 1 A 20 20 LEU CA C 20 57.429 58.028 -0.599 1
1 242 . 17 1 1 A 20 20 LEU CB C 20 40.978 41.568 -0.590 1
1 243 . 17 1 1 A 20 20 LEU N N 20 119.581 121.717 -2.136 1
1 244 . 17 1 1 A 21 21 VAL H H 21 9.479 8.353 1.126 1
1 245 . 17 1 1 A 21 21 VAL HA H 21 3.991 3.556 0.435 1
1 250 . 17 1 1 A 21 21 VAL C C 21 180.906 177.701 3.205 1
1 251 . 17 1 1 A 21 21 VAL CA C 21 66.562 66.990 -0.428 1
1 252 . 17 1 1 A 21 21 VAL CB C 21 31.435 31.484 -0.049 1
1 254 . 17 1 1 A 21 21 VAL N N 21 125.030 119.431 5.599 1
1 255 . 17 1 1 A 22 22 ASP H H 22 8.401 8.321 0.080 1
1 256 . 17 1 1 A 22 22 ASP HA H 22 4.541 4.521 0.020 1
1 259 . 17 1 1 A 22 22 ASP C C 22 177.204 177.447 -0.243 1
1 260 . 17 1 1 A 22 22 ASP CA C 22 57.019 56.333 0.686 1
1 261 . 17 1 1 A 22 22 ASP CB C 22 39.983 40.777 -0.794 1
1 262 . 17 1 1 A 22 22 ASP N N 22 122.749 121.587 1.162 1
1 263 . 17 1 1 A 23 23 ALA H H 23 7.485 8.049 -0.564 1
1 264 . 17 1 1 A 23 23 ALA HA H 23 4.522 4.353 0.169 1
1 268 . 17 1 1 A 23 23 ALA C C 23 177.965 178.427 -0.462 1
1 269 . 17 1 1 A 23 23 ALA CA C 23 52.130 53.427 -1.297 1
1 270 . 17 1 1 A 23 23 ALA CB C 23 18.673 20.086 -1.413 1
1 271 . 17 1 1 A 23 23 ALA N N 23 119.207 119.728 -0.521 1
1 272 . 17 1 1 A 24 24 GLY H H 24 8.150 8.099 0.051 1
1 273 . 17 1 1 A 24 24 GLY HA2 H 24 4.183 3.958 0.225 1
1 274 . 17 1 1 A 24 24 GLY HA3 H 24 4.026 3.961 0.065 1
1 275 . 17 1 1 A 24 24 GLY C C 24 174.731 173.323 1.408 1
1 276 . 17 1 1 A 24 24 GLY CA C 24 45.916 45.771 0.145 1
1 277 . 17 1 1 A 24 24 GLY N N 24 108.009 104.925 3.084 1
1 278 . 17 1 1 A 25 25 THR H H 25 7.786 7.916 -0.130 1
1 279 . 17 1 1 A 25 25 THR HA H 25 4.151 4.626 -0.475 1
1 284 . 17 1 1 A 25 25 THR C C 25 173.194 172.889 0.305 1
1 285 . 17 1 1 A 25 25 THR CA C 25 63.840 59.984 3.856 1
1 286 . 17 1 1 A 25 25 THR CB C 25 69.255 70.555 -1.300 1
1 288 . 17 1 1 A 25 25 THR N N 25 117.202 116.094 1.108 1
1 289 . 17 1 1 A 26 26 ALA H H 26 8.978 8.392 0.586 1
1 290 . 17 1 1 A 26 26 ALA HA H 26 4.391 4.279 0.112 1
1 294 . 17 1 1 A 26 26 ALA C C 26 178.935 178.440 0.495 1
1 295 . 17 1 1 A 26 26 ALA CA C 26 53.038 51.648 1.390 1
1 296 . 17 1 1 A 26 26 ALA CB C 26 18.566 18.119 0.447 1
1 297 . 17 1 1 A 26 26 ALA N N 26 128.127 126.686 1.441 1
1 298 . 17 1 1 A 27 27 GLU H H 27 8.803 8.617 0.186 1
1 299 . 17 1 1 A 27 27 GLU HA H 27 3.966 4.075 -0.109 1
1 304 . 17 1 1 A 27 27 GLU C C 27 179.999 178.689 1.310 1
1 305 . 17 1 1 A 27 27 GLU CA C 27 59.465 59.153 0.312 1
1 306 . 17 1 1 A 27 27 GLU CB C 27 29.211 28.856 0.355 1
1 308 . 17 1 1 A 27 27 GLU N N 27 123.075 124.125 -1.050 1
1 309 . 17 1 1 A 28 28 LYS H H 28 8.455 8.277 0.178 1
1 310 . 17 1 1 A 28 28 LYS HA H 28 4.048 4.049 -0.001 1
1 315 . 17 1 1 A 28 28 LYS C C 28 177.394 178.665 -1.271 1
1 316 . 17 1 1 A 28 28 LYS CA C 28 58.951 59.035 -0.084 1
1 317 . 17 1 1 A 28 28 LYS CB C 28 29.504 32.370 -2.866 1
1 320 . 17 1 1 A 28 28 LYS N N 28 119.368 119.598 -0.230 1
1 321 . 17 1 1 A 29 29 TYR H H 29 7.349 8.252 -0.903 1
1 322 . 17 1 1 A 29 29 TYR HA H 29 4.768 4.104 0.664 1
1 329 . 17 1 1 A 29 29 TYR C C 29 177.496 177.431 0.065 1
1 330 . 17 1 1 A 29 29 TYR CA C 29 58.599 61.156 -2.557 1
1 331 . 17 1 1 A 29 29 TYR CB C 29 38.229 38.640 -0.411 1
1 336 . 17 1 1 A 29 29 TYR N N 29 117.039 120.875 -3.836 1
1 337 . 17 1 1 A 30 30 ILE H H 30 7.535 8.837 -1.302 1
1 338 . 17 1 1 A 30 30 ILE HA H 30 3.638 3.734 -0.096 1
1 348 . 17 1 1 A 30 30 ILE C C 30 178.462 178.443 0.019 1
1 349 . 17 1 1 A 30 30 ILE CA C 30 65.156 64.928 0.228 1
1 350 . 17 1 1 A 30 30 ILE CB C 30 36.867 37.315 -0.448 1
1 353 . 17 1 1 A 30 30 ILE N N 30 120.828 120.646 0.182 1
1 354 . 17 1 1 A 31 31 LYS H H 31 7.862 7.846 0.016 1
1 355 . 17 1 1 A 31 31 LYS HA H 31 4.053 4.039 0.014 1
1 360 . 17 1 1 A 31 31 LYS C C 31 178.243 178.685 -0.442 1
1 361 . 17 1 1 A 31 31 LYS CA C 31 58.796 58.957 -0.161 1
1 362 . 17 1 1 A 31 31 LYS CB C 31 31.723 32.142 -0.419 1
1 365 . 17 1 1 A 31 31 LYS N N 31 116.578 121.801 -5.223 1
1 366 . 17 1 1 A 32 32 LEU H H 32 7.353 7.714 -0.361 1
1 367 . 17 1 1 A 32 32 LEU HA H 32 4.128 4.081 0.047 1
1 373 . 17 1 1 A 32 32 LEU C C 32 180.028 178.705 1.323 1
1 374 . 17 1 1 A 32 32 LEU CA C 32 57.809 57.349 0.460 1
1 375 . 17 1 1 A 32 32 LEU CB C 32 41.196 41.708 -0.512 1
1 378 . 17 1 1 A 32 32 LEU N N 32 117.030 120.221 -3.191 1
1 379 . 17 1 1 A 33 33 ILE H H 33 7.494 7.621 -0.127 1
1 380 . 17 1 1 A 33 33 ILE HA H 33 3.760 3.937 -0.177 1
1 387 . 17 1 1 A 33 33 ILE C C 33 178.477 177.933 0.544 1
1 388 . 17 1 1 A 33 33 ILE CA C 33 62.407 63.742 -1.335 1
1 389 . 17 1 1 A 33 33 ILE CB C 33 35.407 37.282 -1.875 1
1 391 . 17 1 1 A 33 33 ILE N N 33 118.141 115.178 2.963 1
1 392 . 17 1 1 A 34 34 ALA H H 34 7.777 7.613 0.164 1
1 393 . 17 1 1 A 34 34 ALA HA H 34 4.031 3.945 0.086 1
1 397 . 17 1 1 A 34 34 ALA C C 34 178.857 178.900 -0.043 1
1 398 . 17 1 1 A 34 34 ALA CA C 34 54.662 54.855 -0.193 1
1 399 . 17 1 1 A 34 34 ALA CB C 34 18.492 18.607 -0.115 1
1 400 . 17 1 1 A 34 34 ALA N N 34 119.230 123.937 -4.707 1
1 401 . 17 1 1 A 35 35 ASN H H 35 7.418 7.858 -0.440 1
1 402 . 17 1 1 A 35 35 ASN HA H 35 4.863 4.814 0.049 1
1 407 . 17 1 1 A 35 35 ASN C C 35 175.345 175.871 -0.526 1
1 408 . 17 1 1 A 35 35 ASN CA C 35 52.686 53.221 -0.535 1
1 409 . 17 1 1 A 35 35 ASN CB C 35 39.075 38.946 0.129 1
1 410 . 17 1 1 A 35 35 ASN N N 35 113.022 114.474 -1.452 1
1 412 . 17 1 1 A 36 36 ALA H H 36 7.529 7.948 -0.419 1
1 413 . 17 1 1 A 36 36 ALA HA H 36 4.329 4.035 0.294 1
1 417 . 17 1 1 A 36 36 ALA C C 36 177.862 178.026 -0.164 1
1 418 . 17 1 1 A 36 36 ALA CA C 36 53.389 55.044 -1.655 1
1 419 . 17 1 1 A 36 36 ALA CB C 36 19.141 18.752 0.389 1
1 420 . 17 1 1 A 36 36 ALA N N 36 124.061 122.442 1.619 1
1 421 . 17 1 1 A 37 37 LYS H H 37 8.891 7.792 1.099 1
1 422 . 17 1 1 A 37 37 LYS HA H 37 4.450 3.891 0.559 1
1 427 . 17 1 1 A 37 37 LYS C C 37 176.758 175.536 1.222 1
1 428 . 17 1 1 A 37 37 LYS CA C 37 56.476 58.941 -2.465 1
1 429 . 17 1 1 A 37 37 LYS CB C 37 34.789 30.570 4.219 1
1 433 . 17 1 1 A 37 37 LYS N N 37 117.071 113.922 3.149 1
1 434 . 17 1 1 A 38 38 THR H H 38 7.406 8.458 -1.052 1
1 435 . 17 1 1 A 38 38 THR HA H 38 4.704 4.420 0.284 1
1 440 . 17 1 1 A 38 38 THR C C 38 173.984 175.687 -1.703 1
1 441 . 17 1 1 A 38 38 THR CA C 38 58.248 61.294 -3.046 1
1 442 . 17 1 1 A 38 38 THR CB C 38 72.884 70.210 2.674 1
1 444 . 17 1 1 A 38 38 THR N N 38 106.340 111.686 -5.346 1
1 445 . 17 1 1 A 39 39 VAL H H 39 8.967 8.642 0.325 1
1 446 . 17 1 1 A 39 39 VAL HA H 39 3.208 3.512 -0.304 1
1 451 . 17 1 1 A 39 39 VAL C C 39 176.735 177.121 -0.386 1
1 452 . 17 1 1 A 39 39 VAL CA C 39 67.315 66.976 0.339 1
1 453 . 17 1 1 A 39 39 VAL CB C 39 30.909 31.993 -1.084 1
1 455 . 17 1 1 A 39 39 VAL N N 39 122.904 123.347 -0.443 1
1 456 . 17 1 1 A 40 40 GLU H H 40 8.900 8.698 0.202 1
1 457 . 17 1 1 A 40 40 GLU HA H 40 4.076 4.332 -0.256 1
1 462 . 17 1 1 A 40 40 GLU C C 40 179.355 179.853 -0.498 1
1 463 . 17 1 1 A 40 40 GLU CA C 40 60.061 59.750 0.311 1
1 464 . 17 1 1 A 40 40 GLU CB C 40 28.401 29.209 -0.808 1
1 466 . 17 1 1 A 40 40 GLU N N 40 118.190 119.376 -1.186 1
1 467 . 17 1 1 A 41 41 GLY H H 41 8.199 8.394 -0.195 1
1 468 . 17 1 1 A 41 41 GLY HA2 H 41 4.039 3.729 0.310 1
1 469 . 17 1 1 A 41 41 GLY HA3 H 41 3.919 3.754 0.165 1
1 470 . 17 1 1 A 41 41 GLY C C 41 176.267 176.490 -0.223 1
1 471 . 17 1 1 A 41 41 GLY CA C 41 46.167 47.019 -0.852 1
1 472 . 17 1 1 A 41 41 GLY N N 41 108.663 108.682 -0.019 1
1 473 . 17 1 1 A 42 42 VAL H H 42 7.662 7.581 0.081 1
1 474 . 17 1 1 A 42 42 VAL HA H 42 3.182 3.675 -0.493 1
1 479 . 17 1 1 A 42 42 VAL C C 42 177.014 178.438 -1.424 1
1 480 . 17 1 1 A 42 42 VAL CA C 42 67.030 65.602 1.428 1
1 481 . 17 1 1 A 42 42 VAL CB C 42 30.616 31.404 -0.788 1
1 483 . 17 1 1 A 42 42 VAL N N 42 123.036 121.070 1.966 1
1 484 . 17 1 1 A 43 43 TRP H H 43 7.726 7.624 0.102 1
1 485 . 17 1 1 A 43 43 TRP HA H 43 4.640 4.398 0.242 1
1 494 . 17 1 1 A 43 43 TRP C C 43 179.135 178.560 0.575 1
1 495 . 17 1 1 A 43 43 TRP CA C 43 59.208 59.976 -0.768 1
1 496 . 17 1 1 A 43 43 TRP CB C 43 29.033 28.965 0.068 1
1 502 . 17 1 1 A 43 43 TRP N N 43 118.730 119.737 -1.007 1
1 504 . 17 1 1 A 44 44 THR H H 44 8.545 7.936 0.609 1
1 505 . 17 1 1 A 44 44 THR HA H 44 4.223 4.116 0.107 1
1 510 . 17 1 1 A 44 44 THR C C 44 177.189 176.731 0.458 1
1 511 . 17 1 1 A 44 44 THR CA C 44 66.351 65.267 1.084 1
1 512 . 17 1 1 A 44 44 THR CB C 44 68.921 68.531 0.390 1
1 514 . 17 1 1 A 44 44 THR N N 44 115.228 112.630 2.598 1
1 515 . 17 1 1 A 45 45 LEU H H 45 7.961 8.093 -0.132 1
1 516 . 17 1 1 A 45 45 LEU HA H 45 4.299 3.930 0.369 1
1 523 . 17 1 1 A 45 45 LEU C C 45 178.301 179.050 -0.749 1
1 524 . 17 1 1 A 45 45 LEU CA C 45 57.759 58.386 -0.627 1
1 525 . 17 1 1 A 45 45 LEU CB C 45 42.462 41.678 0.784 1
1 527 . 17 1 1 A 45 45 LEU N N 45 123.256 123.477 -0.221 1
1 528 . 17 1 1 A 46 46 LYS H H 46 8.645 7.903 0.742 1
1 529 . 17 1 1 A 46 46 LYS HA H 46 3.850 3.936 -0.086 1
1 536 . 17 1 1 A 46 46 LYS C C 46 177.716 178.740 -1.024 1
1 537 . 17 1 1 A 46 46 LYS CA C 46 60.731 59.826 0.905 1
1 538 . 17 1 1 A 46 46 LYS CB C 46 30.700 32.059 -1.359 1
1 540 . 17 1 1 A 46 46 LYS N N 46 119.178 119.844 -0.666 1
1 541 . 17 1 1 A 47 47 ASP H H 47 7.711 8.146 -0.435 1
1 542 . 17 1 1 A 47 47 ASP HA H 47 4.539 4.420 0.119 1
1 545 . 17 1 1 A 47 47 ASP C C 47 178.755 178.713 0.042 1
1 546 . 17 1 1 A 47 47 ASP CA C 47 57.095 56.718 0.377 1
1 547 . 17 1 1 A 47 47 ASP CB C 47 40.138 40.358 -0.220 1
1 548 . 17 1 1 A 47 47 ASP N N 47 117.538 119.912 -2.374 1
1 549 . 17 1 1 A 48 48 GLU H H 48 7.951 8.691 -0.740 1
1 550 . 17 1 1 A 48 48 GLU HA H 48 3.989 4.186 -0.197 1
1 555 . 17 1 1 A 48 48 GLU C C 48 179.165 179.088 0.077 1
1 556 . 17 1 1 A 48 48 GLU CA C 48 59.143 58.811 0.332 1
1 557 . 17 1 1 A 48 48 GLU CB C 48 29.783 29.500 0.283 1
1 559 . 17 1 1 A 48 48 GLU N N 48 121.677 119.430 2.247 1
1 560 . 17 1 1 A 49 49 ILE H H 49 8.602 7.461 1.141 1
1 561 . 17 1 1 A 49 49 ILE HA H 49 3.834 3.577 0.257 1
1 568 . 17 1 1 A 49 49 ILE C C 49 177.379 178.265 -0.886 1
1 569 . 17 1 1 A 49 49 ILE CA C 49 64.044 65.045 -1.001 1
1 570 . 17 1 1 A 49 49 ILE CB C 49 37.896 37.416 0.480 1
1 572 . 17 1 1 A 49 49 ILE N N 49 120.326 119.577 0.749 1
1 573 . 17 1 1 A 50 50 LYS H H 50 7.785 7.806 -0.021 1
1 574 . 17 1 1 A 50 50 LYS HA H 50 4.057 4.140 -0.083 1
1 583 . 17 1 1 A 50 50 LYS C C 50 177.848 178.791 -0.943 1
1 584 . 17 1 1 A 50 50 LYS CA C 50 59.629 59.465 0.164 1
1 585 . 17 1 1 A 50 50 LYS CB C 50 32.026 32.272 -0.246 1
1 587 . 17 1 1 A 50 50 LYS N N 50 119.242 120.109 -0.867 1
1 588 . 17 1 1 A 51 51 THR H H 51 7.609 7.466 0.143 1
1 589 . 17 1 1 A 51 51 THR HA H 51 4.344 4.276 0.068 1
1 594 . 17 1 1 A 51 51 THR C C 51 175.360 175.096 0.264 1
1 595 . 17 1 1 A 51 51 THR CA C 51 63.224 63.593 -0.369 1
1 596 . 17 1 1 A 51 51 THR CB C 51 69.781 69.453 0.328 1
1 598 . 17 1 1 A 51 51 THR N N 51 109.871 112.278 -2.407 1
1 599 . 17 1 1 A 52 52 PHE H H 52 7.645 7.804 -0.159 1
1 600 . 17 1 1 A 52 52 PHE HA H 52 4.810 4.671 0.139 1
1 607 . 17 1 1 A 52 52 PHE C C 52 176.750 174.545 2.205 1
1 608 . 17 1 1 A 52 52 PHE CA C 52 56.960 57.591 -0.631 1
1 609 . 17 1 1 A 52 52 PHE CB C 52 37.622 39.219 -1.597 1
1 614 . 17 1 1 A 52 52 PHE N N 52 120.960 122.585 -1.625 1
1 615 . 17 1 1 A 53 53 THR H H 53 8.124 7.651 0.473 1
1 616 . 17 1 1 A 53 53 THR HA H 53 4.472 4.594 -0.122 1
1 621 . 17 1 1 A 53 53 THR C C 53 174.394 173.478 0.916 1
1 622 . 17 1 1 A 53 53 THR CA C 53 62.464 59.129 3.335 1
1 623 . 17 1 1 A 53 53 THR CB C 53 70.045 71.376 -1.331 1
1 625 . 17 1 1 A 53 53 THR N N 53 113.896 115.829 -1.933 1
1 626 . 17 1 1 A 54 54 VAL H H 54 8.114 8.677 -0.563 1
1 627 . 17 1 1 A 54 54 VAL HA H 54 4.346 3.947 0.399 1
1 632 . 17 1 1 A 54 54 VAL C C 54 176.209 175.154 1.055 1
1 633 . 17 1 1 A 54 54 VAL CA C 54 62.128 62.921 -0.793 1
1 634 . 17 1 1 A 54 54 VAL CB C 54 32.694 29.505 3.189 1
1 636 . 17 1 1 A 54 54 VAL N N 54 122.467 122.740 -0.273 1
1 637 . 17 1 1 A 55 55 THR H H 55 8.362 8.224 0.138 1
1 638 . 17 1 1 A 55 55 THR HA H 55 4.409 4.366 0.043 1
1 643 . 17 1 1 A 55 55 THR C C 55 173.648 173.210 0.438 1
1 644 . 17 1 1 A 55 55 THR CA C 55 61.875 63.674 -1.799 1
1 645 . 17 1 1 A 55 55 THR CB C 55 69.860 67.769 2.091 1
1 647 . 17 1 1 A 55 55 THR N N 55 118.624 115.745 2.879 1
1 3 . 18 1 1 A 2 2 THR H H 2 8.109 7.962 0.147 1
1 4 . 18 1 1 A 2 2 THR HA H 2 4.400 4.076 0.324 1
1 9 . 18 1 1 A 2 2 THR C C 2 173.933 173.434 0.499 1
1 10 . 18 1 1 A 2 2 THR CA C 2 61.842 62.945 -1.103 1
1 11 . 18 1 1 A 2 2 THR CB C 2 69.793 67.285 2.508 1
1 13 . 18 1 1 A 2 2 THR N N 2 128.532 114.479 14.053 1
1 14 . 18 1 1 A 3 3 TYR H H 3 8.424 8.316 0.108 1
1 15 . 18 1 1 A 3 3 TYR HA H 3 4.434 4.717 -0.283 1
1 22 . 18 1 1 A 3 3 TYR C C 3 175.696 175.880 -0.184 1
1 23 . 18 1 1 A 3 3 TYR CA C 3 58.210 57.930 0.280 1
1 24 . 18 1 1 A 3 3 TYR CB C 3 38.473 38.977 -0.504 1
1 27 . 18 1 1 A 3 3 TYR N N 3 123.975 126.823 -2.848 1
1 28 . 18 1 1 A 4 4 LYS H H 4 8.160 8.710 -0.550 1
1 29 . 18 1 1 A 4 4 LYS HA H 4 4.217 5.225 -1.008 1
1 36 . 18 1 1 A 4 4 LYS C C 4 175.989 175.053 0.936 1
1 37 . 18 1 1 A 4 4 LYS CA C 4 56.657 54.176 2.481 1
1 38 . 18 1 1 A 4 4 LYS CB C 4 32.834 35.503 -2.669 1
1 42 . 18 1 1 A 4 4 LYS N N 4 122.591 118.101 4.490 1
1 43 . 18 1 1 A 5 5 LEU H H 5 8.050 8.702 -0.652 1
1 44 . 18 1 1 A 5 5 LEU HA H 5 4.325 4.707 -0.382 1
1 50 . 18 1 1 A 5 5 LEU C C 5 177.233 174.511 2.722 1
1 51 . 18 1 1 A 5 5 LEU CA C 5 55.392 54.466 0.926 1
1 52 . 18 1 1 A 5 5 LEU CB C 5 41.995 45.573 -3.578 1
1 56 . 18 1 1 A 5 5 LEU N N 5 122.335 120.086 2.249 1
1 57 . 18 1 1 A 6 6 ILE H H 6 8.136 8.903 -0.767 1
1 58 . 18 1 1 A 6 6 ILE HA H 6 4.230 4.332 -0.102 1
1 68 . 18 1 1 A 6 6 ILE C C 6 176.253 175.329 0.924 1
1 69 . 18 1 1 A 6 6 ILE CA C 6 61.256 61.108 0.148 1
1 70 . 18 1 1 A 6 6 ILE CB C 6 38.070 37.437 0.633 1
1 74 . 18 1 1 A 6 6 ILE N N 6 122.472 128.040 -5.568 1
1 75 . 18 1 1 A 7 7 LEU H H 7 8.234 9.049 -0.815 1
1 76 . 18 1 1 A 7 7 LEU HA H 7 4.521 4.422 0.099 1
1 82 . 18 1 1 A 7 7 LEU C C 7 177.087 176.555 0.532 1
1 83 . 18 1 1 A 7 7 LEU CA C 7 55.268 56.115 -0.847 1
1 84 . 18 1 1 A 7 7 LEU CB C 7 42.738 42.999 -0.261 1
1 87 . 18 1 1 A 7 7 LEU N N 7 125.667 128.761 -3.094 1
1 88 . 18 1 1 A 8 8 ASN H H 8 8.195 8.073 0.122 1
1 89 . 18 1 1 A 8 8 ASN HA H 8 4.801 5.040 -0.239 1
1 94 . 18 1 1 A 8 8 ASN C C 8 175.345 176.339 -0.994 1
1 95 . 18 1 1 A 8 8 ASN CA C 8 52.541 54.208 -1.667 1
1 96 . 18 1 1 A 8 8 ASN CB C 8 38.782 41.277 -2.495 1
1 97 . 18 1 1 A 8 8 ASN N N 8 118.150 115.288 2.862 1
1 99 . 18 1 1 A 9 9 LEU H H 9 8.434 8.194 0.240 1
1 100 . 18 1 1 A 9 9 LEU HA H 9 3.974 4.286 -0.312 1
1 109 . 18 1 1 A 9 9 LEU C C 9 177.160 179.111 -1.951 1
1 110 . 18 1 1 A 9 9 LEU CA C 9 58.418 56.883 1.535 1
1 111 . 18 1 1 A 9 9 LEU CB C 9 42.073 41.768 0.305 1
1 114 . 18 1 1 A 9 9 LEU N N 9 121.944 120.309 1.635 1
1 115 . 18 1 1 A 10 10 LYS H H 10 8.115 8.273 -0.158 1
1 116 . 18 1 1 A 10 10 LYS HA H 10 3.964 3.890 0.074 1
1 121 . 18 1 1 A 10 10 LYS C C 10 178.535 178.654 -0.119 1
1 122 . 18 1 1 A 10 10 LYS CA C 10 60.121 60.134 -0.013 1
1 123 . 18 1 1 A 10 10 LYS CB C 10 32.108 32.129 -0.021 1
1 126 . 18 1 1 A 10 10 LYS N N 10 118.923 119.136 -0.213 1
1 127 . 18 1 1 A 11 11 GLN H H 11 7.647 8.120 -0.473 1
1 128 . 18 1 1 A 11 11 GLN HA H 11 4.198 4.089 0.109 1
1 135 . 18 1 1 A 11 11 GLN C C 11 179.267 177.994 1.273 1
1 136 . 18 1 1 A 11 11 GLN CA C 11 59.331 58.718 0.613 1
1 137 . 18 1 1 A 11 11 GLN CB C 11 29.621 28.872 0.749 1
1 139 . 18 1 1 A 11 11 GLN N N 11 117.482 119.303 -1.821 1
1 141 . 18 1 1 A 12 12 ALA H H 12 8.431 8.123 0.308 1
1 142 . 18 1 1 A 12 12 ALA HA H 12 4.200 2.969 1.231 1
1 146 . 18 1 1 A 12 12 ALA C C 12 179.809 178.980 0.829 1
1 147 . 18 1 1 A 12 12 ALA CA C 12 55.484 54.715 0.769 1
1 148 . 18 1 1 A 12 12 ALA CB C 12 18.673 17.707 0.966 1
1 149 . 18 1 1 A 12 12 ALA N N 12 122.387 122.100 0.287 1
1 150 . 18 1 1 A 13 13 LYS H H 13 8.361 8.851 -0.490 1
1 151 . 18 1 1 A 13 13 LYS HA H 13 3.671 3.800 -0.129 1
1 158 . 18 1 1 A 13 13 LYS C C 13 177.701 179.801 -2.100 1
1 159 . 18 1 1 A 13 13 LYS CA C 13 60.773 59.739 1.034 1
1 160 . 18 1 1 A 13 13 LYS CB C 13 33.191 32.348 0.843 1
1 163 . 18 1 1 A 13 13 LYS N N 13 116.790 116.990 -0.200 1
1 164 . 18 1 1 A 14 14 GLU H H 14 7.953 8.075 -0.122 1
1 165 . 18 1 1 A 14 14 GLU HA H 14 3.979 4.014 -0.035 1
1 170 . 18 1 1 A 14 14 GLU C C 14 178.067 179.189 -1.122 1
1 171 . 18 1 1 A 14 14 GLU CA C 14 59.824 59.183 0.641 1
1 172 . 18 1 1 A 14 14 GLU CB C 14 29.389 29.436 -0.047 1
1 174 . 18 1 1 A 14 14 GLU N N 14 116.988 118.724 -1.736 1
1 175 . 18 1 1 A 15 15 GLU H H 15 8.442 7.942 0.500 1
1 176 . 18 1 1 A 15 15 GLU HA H 15 4.053 3.916 0.137 1
1 179 . 18 1 1 A 15 15 GLU C C 15 178.374 178.962 -0.588 1
1 180 . 18 1 1 A 15 15 GLU CA C 15 58.307 58.822 -0.515 1
1 181 . 18 1 1 A 15 15 GLU CB C 15 29.030 29.530 -0.500 1
1 183 . 18 1 1 A 15 15 GLU N N 15 115.659 121.821 -6.162 1
1 184 . 18 1 1 A 16 16 ALA H H 16 8.555 8.292 0.263 1
1 185 . 18 1 1 A 16 16 ALA HA H 16 4.199 3.937 0.262 1
1 189 . 18 1 1 A 16 16 ALA C C 16 179.399 179.279 0.120 1
1 190 . 18 1 1 A 16 16 ALA CA C 16 55.233 55.015 0.218 1
1 191 . 18 1 1 A 16 16 ALA CB C 16 17.853 17.883 -0.030 1
1 192 . 18 1 1 A 16 16 ALA N N 16 122.104 121.998 0.106 1
1 193 . 18 1 1 A 17 17 ILE H H 17 8.719 7.521 1.198 1
1 194 . 18 1 1 A 17 17 ILE HA H 17 3.593 3.951 -0.358 1
1 201 . 18 1 1 A 17 17 ILE C C 17 177.131 177.408 -0.277 1
1 202 . 18 1 1 A 17 17 ILE CA C 17 66.796 63.426 3.370 1
1 203 . 18 1 1 A 17 17 ILE CB C 17 37.700 37.800 -0.100 1
1 205 . 18 1 1 A 17 17 ILE N N 17 117.581 118.758 -1.177 1
1 206 . 18 1 1 A 18 18 LYS H H 18 7.795 8.402 -0.607 1
1 207 . 18 1 1 A 18 18 LYS HA H 18 4.025 3.971 0.054 1
1 214 . 18 1 1 A 18 18 LYS C C 18 179.340 178.819 0.521 1
1 215 . 18 1 1 A 18 18 LYS CA C 18 59.829 59.702 0.127 1
1 216 . 18 1 1 A 18 18 LYS CB C 18 32.079 32.289 -0.210 1
1 220 . 18 1 1 A 18 18 LYS N N 18 119.291 121.686 -2.395 1
1 221 . 18 1 1 A 19 19 GLU H H 19 8.331 8.709 -0.378 1
1 222 . 18 1 1 A 19 19 GLU HA H 19 4.197 4.027 0.170 1
1 227 . 18 1 1 A 19 19 GLU C C 19 179.926 179.535 0.391 1
1 228 . 18 1 1 A 19 19 GLU CA C 19 58.483 59.013 -0.530 1
1 229 . 18 1 1 A 19 19 GLU CB C 19 28.508 29.430 -0.922 1
1 231 . 18 1 1 A 19 19 GLU N N 19 118.386 119.071 -0.685 1
1 232 . 18 1 1 A 20 20 LEU H H 20 8.270 7.726 0.544 1
1 233 . 18 1 1 A 20 20 LEU HA H 20 4.198 4.094 0.104 1
1 240 . 18 1 1 A 20 20 LEU C C 20 180.511 178.802 1.709 1
1 241 . 18 1 1 A 20 20 LEU CA C 20 57.429 57.936 -0.507 1
1 242 . 18 1 1 A 20 20 LEU CB C 20 40.978 41.546 -0.568 1
1 243 . 18 1 1 A 20 20 LEU N N 20 119.581 121.694 -2.113 1
1 244 . 18 1 1 A 21 21 VAL H H 21 9.479 8.400 1.079 1
1 245 . 18 1 1 A 21 21 VAL HA H 21 3.991 3.502 0.489 1
1 250 . 18 1 1 A 21 21 VAL C C 21 180.906 177.946 2.960 1
1 251 . 18 1 1 A 21 21 VAL CA C 21 66.562 67.143 -0.581 1
1 252 . 18 1 1 A 21 21 VAL CB C 21 31.435 31.218 0.217 1
1 254 . 18 1 1 A 21 21 VAL N N 21 125.030 119.242 5.788 1
1 255 . 18 1 1 A 22 22 ASP H H 22 8.401 8.224 0.177 1
1 256 . 18 1 1 A 22 22 ASP HA H 22 4.541 4.429 0.112 1
1 259 . 18 1 1 A 22 22 ASP C C 22 177.204 176.671 0.533 1
1 260 . 18 1 1 A 22 22 ASP CA C 22 57.019 56.734 0.285 1
1 261 . 18 1 1 A 22 22 ASP CB C 22 39.983 40.834 -0.851 1
1 262 . 18 1 1 A 22 22 ASP N N 22 122.749 120.779 1.970 1
1 263 . 18 1 1 A 23 23 ALA H H 23 7.485 7.948 -0.463 1
1 264 . 18 1 1 A 23 23 ALA HA H 23 4.522 4.622 -0.100 1
1 268 . 18 1 1 A 23 23 ALA C C 23 177.965 177.115 0.850 1
1 269 . 18 1 1 A 23 23 ALA CA C 23 52.130 53.015 -0.885 1
1 270 . 18 1 1 A 23 23 ALA CB C 23 18.673 20.813 -2.140 1
1 271 . 18 1 1 A 23 23 ALA N N 23 119.207 120.066 -0.859 1
1 272 . 18 1 1 A 24 24 GLY H H 24 8.150 7.599 0.551 1
1 273 . 18 1 1 A 24 24 GLY HA2 H 24 4.183 4.108 0.075 1
1 274 . 18 1 1 A 24 24 GLY HA3 H 24 4.026 4.108 -0.082 1
1 275 . 18 1 1 A 24 24 GLY C C 24 174.731 173.857 0.874 1
1 276 . 18 1 1 A 24 24 GLY CA C 24 45.916 45.790 0.126 1
1 277 . 18 1 1 A 24 24 GLY N N 24 108.009 103.631 4.378 1
1 278 . 18 1 1 A 25 25 THR H H 25 7.786 8.419 -0.633 1
1 279 . 18 1 1 A 25 25 THR HA H 25 4.151 4.244 -0.093 1
1 284 . 18 1 1 A 25 25 THR C C 25 173.194 173.574 -0.380 1
1 285 . 18 1 1 A 25 25 THR CA C 25 63.840 62.773 1.067 1
1 286 . 18 1 1 A 25 25 THR CB C 25 69.255 68.624 0.631 1
1 288 . 18 1 1 A 25 25 THR N N 25 117.202 116.687 0.515 1
1 289 . 18 1 1 A 26 26 ALA H H 26 8.978 8.418 0.560 1
1 290 . 18 1 1 A 26 26 ALA HA H 26 4.391 4.275 0.116 1
1 294 . 18 1 1 A 26 26 ALA C C 26 178.935 177.767 1.168 1
1 295 . 18 1 1 A 26 26 ALA CA C 26 53.038 51.863 1.175 1
1 296 . 18 1 1 A 26 26 ALA CB C 26 18.566 18.747 -0.181 1
1 297 . 18 1 1 A 26 26 ALA N N 26 128.127 127.111 1.016 1
1 298 . 18 1 1 A 27 27 GLU H H 27 8.803 8.278 0.525 1
1 299 . 18 1 1 A 27 27 GLU HA H 27 3.966 3.893 0.073 1
1 304 . 18 1 1 A 27 27 GLU C C 27 179.999 178.398 1.601 1
1 305 . 18 1 1 A 27 27 GLU CA C 27 59.465 59.618 -0.153 1
1 306 . 18 1 1 A 27 27 GLU CB C 27 29.211 29.406 -0.195 1
1 308 . 18 1 1 A 27 27 GLU N N 27 123.075 124.786 -1.711 1
1 309 . 18 1 1 A 28 28 LYS H H 28 8.455 8.187 0.268 1
1 310 . 18 1 1 A 28 28 LYS HA H 28 4.048 4.040 0.008 1
1 315 . 18 1 1 A 28 28 LYS C C 28 177.394 178.777 -1.383 1
1 316 . 18 1 1 A 28 28 LYS CA C 28 58.951 58.936 0.015 1
1 317 . 18 1 1 A 28 28 LYS CB C 28 29.504 32.321 -2.817 1
1 320 . 18 1 1 A 28 28 LYS N N 28 119.368 119.225 0.143 1
1 321 . 18 1 1 A 29 29 TYR H H 29 7.349 8.171 -0.822 1
1 322 . 18 1 1 A 29 29 TYR HA H 29 4.768 4.208 0.560 1
1 329 . 18 1 1 A 29 29 TYR C C 29 177.496 178.326 -0.830 1
1 330 . 18 1 1 A 29 29 TYR CA C 29 58.599 61.139 -2.540 1
1 331 . 18 1 1 A 29 29 TYR CB C 29 38.229 38.155 0.074 1
1 336 . 18 1 1 A 29 29 TYR N N 29 117.039 120.598 -3.559 1
1 337 . 18 1 1 A 30 30 ILE H H 30 7.535 8.672 -1.137 1
1 338 . 18 1 1 A 30 30 ILE HA H 30 3.638 3.683 -0.045 1
1 348 . 18 1 1 A 30 30 ILE C C 30 178.462 178.164 0.298 1
1 349 . 18 1 1 A 30 30 ILE CA C 30 65.156 65.186 -0.030 1
1 350 . 18 1 1 A 30 30 ILE CB C 30 36.867 37.241 -0.374 1
1 353 . 18 1 1 A 30 30 ILE N N 30 120.828 120.538 0.290 1
1 354 . 18 1 1 A 31 31 LYS H H 31 7.862 7.845 0.017 1
1 355 . 18 1 1 A 31 31 LYS HA H 31 4.053 3.984 0.069 1
1 360 . 18 1 1 A 31 31 LYS C C 31 178.243 178.728 -0.485 1
1 361 . 18 1 1 A 31 31 LYS CA C 31 58.796 59.207 -0.411 1
1 362 . 18 1 1 A 31 31 LYS CB C 31 31.723 32.127 -0.404 1
1 365 . 18 1 1 A 31 31 LYS N N 31 116.578 121.818 -5.240 1
1 366 . 18 1 1 A 32 32 LEU H H 32 7.353 7.654 -0.301 1
1 367 . 18 1 1 A 32 32 LEU HA H 32 4.128 4.120 0.008 1
1 373 . 18 1 1 A 32 32 LEU C C 32 180.028 178.595 1.433 1
1 374 . 18 1 1 A 32 32 LEU CA C 32 57.809 57.386 0.423 1
1 375 . 18 1 1 A 32 32 LEU CB C 32 41.196 41.903 -0.707 1
1 378 . 18 1 1 A 32 32 LEU N N 32 117.030 120.321 -3.291 1
1 379 . 18 1 1 A 33 33 ILE H H 33 7.494 8.239 -0.745 1
1 380 . 18 1 1 A 33 33 ILE HA H 33 3.760 3.949 -0.189 1
1 387 . 18 1 1 A 33 33 ILE C C 33 178.477 177.956 0.521 1
1 388 . 18 1 1 A 33 33 ILE CA C 33 62.407 63.707 -1.300 1
1 389 . 18 1 1 A 33 33 ILE CB C 33 35.407 37.330 -1.923 1
1 391 . 18 1 1 A 33 33 ILE N N 33 118.141 115.386 2.755 1
1 392 . 18 1 1 A 34 34 ALA H H 34 7.777 7.710 0.067 1
1 393 . 18 1 1 A 34 34 ALA HA H 34 4.031 4.023 0.008 1
1 397 . 18 1 1 A 34 34 ALA C C 34 178.857 179.151 -0.294 1
1 398 . 18 1 1 A 34 34 ALA CA C 34 54.662 55.170 -0.508 1
1 399 . 18 1 1 A 34 34 ALA CB C 34 18.492 18.114 0.378 1
1 400 . 18 1 1 A 34 34 ALA N N 34 119.230 123.780 -4.550 1
1 401 . 18 1 1 A 35 35 ASN H H 35 7.418 7.577 -0.159 1
1 402 . 18 1 1 A 35 35 ASN HA H 35 4.863 4.729 0.134 1
1 407 . 18 1 1 A 35 35 ASN C C 35 175.345 176.153 -0.808 1
1 408 . 18 1 1 A 35 35 ASN CA C 35 52.686 53.420 -0.734 1
1 409 . 18 1 1 A 35 35 ASN CB C 35 39.075 38.884 0.191 1
1 410 . 18 1 1 A 35 35 ASN N N 35 113.022 115.650 -2.628 1
1 412 . 18 1 1 A 36 36 ALA H H 36 7.529 7.997 -0.468 1
1 413 . 18 1 1 A 36 36 ALA HA H 36 4.329 4.041 0.288 1
1 417 . 18 1 1 A 36 36 ALA C C 36 177.862 178.081 -0.219 1
1 418 . 18 1 1 A 36 36 ALA CA C 36 53.389 55.149 -1.760 1
1 419 . 18 1 1 A 36 36 ALA CB C 36 19.141 18.975 0.166 1
1 420 . 18 1 1 A 36 36 ALA N N 36 124.061 122.241 1.820 1
1 421 . 18 1 1 A 37 37 LYS H H 37 8.891 8.043 0.848 1
1 422 . 18 1 1 A 37 37 LYS HA H 37 4.450 4.277 0.173 1
1 427 . 18 1 1 A 37 37 LYS C C 37 176.758 175.687 1.071 1
1 428 . 18 1 1 A 37 37 LYS CA C 37 56.476 58.711 -2.235 1
1 429 . 18 1 1 A 37 37 LYS CB C 37 34.789 32.224 2.565 1
1 433 . 18 1 1 A 37 37 LYS N N 37 117.071 116.892 0.179 1
1 434 . 18 1 1 A 38 38 THR H H 38 7.406 8.316 -0.910 1
1 435 . 18 1 1 A 38 38 THR HA H 38 4.704 4.520 0.184 1
1 440 . 18 1 1 A 38 38 THR C C 38 173.984 175.461 -1.477 1
1 441 . 18 1 1 A 38 38 THR CA C 38 58.248 60.844 -2.596 1
1 442 . 18 1 1 A 38 38 THR CB C 38 72.884 71.129 1.755 1
1 444 . 18 1 1 A 38 38 THR N N 38 106.340 111.058 -4.718 1
1 445 . 18 1 1 A 39 39 VAL H H 39 8.967 8.734 0.233 1
1 446 . 18 1 1 A 39 39 VAL HA H 39 3.208 4.074 -0.866 1
1 451 . 18 1 1 A 39 39 VAL C C 39 176.735 177.842 -1.107 1
1 452 . 18 1 1 A 39 39 VAL CA C 39 67.315 65.522 1.793 1
1 453 . 18 1 1 A 39 39 VAL CB C 39 30.909 32.061 -1.152 1
1 455 . 18 1 1 A 39 39 VAL N N 39 122.904 118.688 4.216 1
1 456 . 18 1 1 A 40 40 GLU H H 40 8.900 8.546 0.354 1
1 457 . 18 1 1 A 40 40 GLU HA H 40 4.076 4.135 -0.059 1
1 462 . 18 1 1 A 40 40 GLU C C 40 179.355 180.277 -0.922 1
1 463 . 18 1 1 A 40 40 GLU CA C 40 60.061 59.605 0.456 1
1 464 . 18 1 1 A 40 40 GLU CB C 40 28.401 29.074 -0.673 1
1 466 . 18 1 1 A 40 40 GLU N N 40 118.190 122.312 -4.122 1
1 467 . 18 1 1 A 41 41 GLY H H 41 8.199 7.921 0.278 1
1 468 . 18 1 1 A 41 41 GLY HA2 H 41 4.039 3.766 0.273 1
1 469 . 18 1 1 A 41 41 GLY HA3 H 41 3.919 3.769 0.150 1
1 470 . 18 1 1 A 41 41 GLY C C 41 176.267 176.687 -0.420 1
1 471 . 18 1 1 A 41 41 GLY CA C 41 46.167 47.029 -0.862 1
1 472 . 18 1 1 A 41 41 GLY N N 41 108.663 109.188 -0.525 1
1 473 . 18 1 1 A 42 42 VAL H H 42 7.662 7.778 -0.116 1
1 474 . 18 1 1 A 42 42 VAL HA H 42 3.182 3.796 -0.614 1
1 479 . 18 1 1 A 42 42 VAL C C 42 177.014 178.411 -1.397 1
1 480 . 18 1 1 A 42 42 VAL CA C 42 67.030 65.784 1.246 1
1 481 . 18 1 1 A 42 42 VAL CB C 42 30.616 31.610 -0.994 1
1 483 . 18 1 1 A 42 42 VAL N N 42 123.036 121.206 1.830 1
1 484 . 18 1 1 A 43 43 TRP H H 43 7.726 8.217 -0.491 1
1 485 . 18 1 1 A 43 43 TRP HA H 43 4.640 4.399 0.241 1
1 494 . 18 1 1 A 43 43 TRP C C 43 179.135 179.182 -0.047 1
1 495 . 18 1 1 A 43 43 TRP CA C 43 59.208 59.928 -0.720 1
1 496 . 18 1 1 A 43 43 TRP CB C 43 29.033 28.956 0.077 1
1 502 . 18 1 1 A 43 43 TRP N N 43 118.730 119.774 -1.044 1
1 504 . 18 1 1 A 44 44 THR H H 44 8.545 8.079 0.466 1
1 505 . 18 1 1 A 44 44 THR HA H 44 4.223 4.109 0.114 1
1 510 . 18 1 1 A 44 44 THR C C 44 177.189 176.334 0.855 1
1 511 . 18 1 1 A 44 44 THR CA C 44 66.351 67.166 -0.815 1
1 512 . 18 1 1 A 44 44 THR CB C 44 68.921 68.384 0.537 1
1 514 . 18 1 1 A 44 44 THR N N 44 115.228 117.061 -1.833 1
1 515 . 18 1 1 A 45 45 LEU H H 45 7.961 8.129 -0.168 1
1 516 . 18 1 1 A 45 45 LEU HA H 45 4.299 3.843 0.456 1
1 523 . 18 1 1 A 45 45 LEU C C 45 178.301 179.163 -0.862 1
1 524 . 18 1 1 A 45 45 LEU CA C 45 57.759 58.318 -0.559 1
1 525 . 18 1 1 A 45 45 LEU CB C 45 42.462 41.863 0.599 1
1 527 . 18 1 1 A 45 45 LEU N N 45 123.256 120.834 2.422 1
1 528 . 18 1 1 A 46 46 LYS H H 46 8.645 7.978 0.667 1
1 529 . 18 1 1 A 46 46 LYS HA H 46 3.850 3.978 -0.128 1
1 536 . 18 1 1 A 46 46 LYS C C 46 177.716 178.441 -0.725 1
1 537 . 18 1 1 A 46 46 LYS CA C 46 60.731 58.922 1.809 1
1 538 . 18 1 1 A 46 46 LYS CB C 46 30.700 32.117 -1.417 1
1 540 . 18 1 1 A 46 46 LYS N N 46 119.178 117.850 1.328 1
1 541 . 18 1 1 A 47 47 ASP H H 47 7.711 8.167 -0.456 1
1 542 . 18 1 1 A 47 47 ASP HA H 47 4.539 4.440 0.099 1
1 545 . 18 1 1 A 47 47 ASP C C 47 178.755 179.159 -0.404 1
1 546 . 18 1 1 A 47 47 ASP CA C 47 57.095 56.843 0.252 1
1 547 . 18 1 1 A 47 47 ASP CB C 47 40.138 40.171 -0.033 1
1 548 . 18 1 1 A 47 47 ASP N N 47 117.538 119.826 -2.288 1
1 549 . 18 1 1 A 48 48 GLU H H 48 7.951 8.629 -0.678 1
1 550 . 18 1 1 A 48 48 GLU HA H 48 3.989 4.028 -0.039 1
1 555 . 18 1 1 A 48 48 GLU C C 48 179.165 179.643 -0.478 1
1 556 . 18 1 1 A 48 48 GLU CA C 48 59.143 58.963 0.180 1
1 557 . 18 1 1 A 48 48 GLU CB C 48 29.783 29.211 0.572 1
1 559 . 18 1 1 A 48 48 GLU N N 48 121.677 120.256 1.421 1
1 560 . 18 1 1 A 49 49 ILE H H 49 8.602 7.675 0.927 1
1 561 . 18 1 1 A 49 49 ILE HA H 49 3.834 3.991 -0.157 1
1 568 . 18 1 1 A 49 49 ILE C C 49 177.379 177.841 -0.462 1
1 569 . 18 1 1 A 49 49 ILE CA C 49 64.044 64.736 -0.692 1
1 570 . 18 1 1 A 49 49 ILE CB C 49 37.896 36.440 1.456 1
1 572 . 18 1 1 A 49 49 ILE N N 49 120.326 121.280 -0.954 1
1 573 . 18 1 1 A 50 50 LYS H H 50 7.785 7.635 0.150 1
1 574 . 18 1 1 A 50 50 LYS HA H 50 4.057 3.951 0.106 1
1 583 . 18 1 1 A 50 50 LYS C C 50 177.848 179.726 -1.878 1
1 584 . 18 1 1 A 50 50 LYS CA C 50 59.629 59.538 0.091 1
1 585 . 18 1 1 A 50 50 LYS CB C 50 32.026 32.366 -0.340 1
1 587 . 18 1 1 A 50 50 LYS N N 50 119.242 120.209 -0.967 1
1 588 . 18 1 1 A 51 51 THR H H 51 7.609 7.560 0.049 1
1 589 . 18 1 1 A 51 51 THR HA H 51 4.344 4.170 0.174 1
1 594 . 18 1 1 A 51 51 THR C C 51 175.360 174.378 0.982 1
1 595 . 18 1 1 A 51 51 THR CA C 51 63.224 65.515 -2.291 1
1 596 . 18 1 1 A 51 51 THR CB C 51 69.781 69.342 0.439 1
1 598 . 18 1 1 A 51 51 THR N N 51 109.871 113.113 -3.242 1
1 599 . 18 1 1 A 52 52 PHE H H 52 7.645 7.216 0.429 1
1 600 . 18 1 1 A 52 52 PHE HA H 52 4.810 4.789 0.021 1
1 607 . 18 1 1 A 52 52 PHE C C 52 176.750 173.649 3.101 1
1 608 . 18 1 1 A 52 52 PHE CA C 52 56.960 58.045 -1.085 1
1 609 . 18 1 1 A 52 52 PHE CB C 52 37.622 40.977 -3.355 1
1 614 . 18 1 1 A 52 52 PHE N N 52 120.960 116.096 4.864 1
1 615 . 18 1 1 A 53 53 THR H H 53 8.124 7.713 0.411 1
1 616 . 18 1 1 A 53 53 THR HA H 53 4.472 4.488 -0.016 1
1 621 . 18 1 1 A 53 53 THR C C 53 174.394 174.172 0.222 1
1 622 . 18 1 1 A 53 53 THR CA C 53 62.464 62.073 0.391 1
1 623 . 18 1 1 A 53 53 THR CB C 53 70.045 69.505 0.540 1
1 625 . 18 1 1 A 53 53 THR N N 53 113.896 112.572 1.324 1
1 626 . 18 1 1 A 54 54 VAL H H 54 8.114 7.521 0.593 1
1 627 . 18 1 1 A 54 54 VAL HA H 54 4.346 4.464 -0.118 1
1 632 . 18 1 1 A 54 54 VAL C C 54 176.209 173.538 2.671 1
1 633 . 18 1 1 A 54 54 VAL CA C 54 62.128 60.242 1.886 1
1 634 . 18 1 1 A 54 54 VAL CB C 54 32.694 34.525 -1.831 1
1 636 . 18 1 1 A 54 54 VAL N N 54 122.467 118.281 4.186 1
1 637 . 18 1 1 A 55 55 THR H H 55 8.362 8.763 -0.401 1
1 638 . 18 1 1 A 55 55 THR HA H 55 4.409 5.091 -0.682 1
1 643 . 18 1 1 A 55 55 THR C C 55 173.648 173.938 -0.290 1
1 644 . 18 1 1 A 55 55 THR CA C 55 61.875 59.843 2.032 1
1 645 . 18 1 1 A 55 55 THR CB C 55 69.860 71.760 -1.900 1
1 647 . 18 1 1 A 55 55 THR N N 55 118.624 114.570 4.054 1
1 3 . 19 1 1 A 2 2 THR H H 2 8.109 8.904 -0.795 1
1 4 . 19 1 1 A 2 2 THR HA H 2 4.400 4.978 -0.578 1
1 9 . 19 1 1 A 2 2 THR C C 2 173.933 173.280 0.653 1
1 10 . 19 1 1 A 2 2 THR CA C 2 61.842 61.532 0.310 1
1 11 . 19 1 1 A 2 2 THR CB C 2 69.793 69.806 -0.013 1
1 13 . 19 1 1 A 2 2 THR N N 2 128.532 125.524 3.008 1
1 14 . 19 1 1 A 3 3 TYR H H 3 8.424 8.695 -0.271 1
1 15 . 19 1 1 A 3 3 TYR HA H 3 4.434 4.887 -0.453 1
1 22 . 19 1 1 A 3 3 TYR C C 3 175.696 175.093 0.603 1
1 23 . 19 1 1 A 3 3 TYR CA C 3 58.210 58.102 0.108 1
1 24 . 19 1 1 A 3 3 TYR CB C 3 38.473 40.247 -1.774 1
1 27 . 19 1 1 A 3 3 TYR N N 3 123.975 126.582 -2.607 1
1 28 . 19 1 1 A 4 4 LYS H H 4 8.160 8.451 -0.291 1
1 29 . 19 1 1 A 4 4 LYS HA H 4 4.217 4.641 -0.424 1
1 36 . 19 1 1 A 4 4 LYS C C 4 175.989 176.757 -0.768 1
1 37 . 19 1 1 A 4 4 LYS CA C 4 56.657 54.939 1.718 1
1 38 . 19 1 1 A 4 4 LYS CB C 4 32.834 32.040 0.794 1
1 42 . 19 1 1 A 4 4 LYS N N 4 122.591 122.844 -0.253 1
1 43 . 19 1 1 A 5 5 LEU H H 5 8.050 7.735 0.315 1
1 44 . 19 1 1 A 5 5 LEU HA H 5 4.325 3.927 0.398 1
1 50 . 19 1 1 A 5 5 LEU C C 5 177.233 176.156 1.077 1
1 51 . 19 1 1 A 5 5 LEU CA C 5 55.392 56.999 -1.607 1
1 52 . 19 1 1 A 5 5 LEU CB C 5 41.995 41.115 0.880 1
1 56 . 19 1 1 A 5 5 LEU N N 5 122.335 118.356 3.979 1
1 57 . 19 1 1 A 6 6 ILE H H 6 8.136 8.515 -0.379 1
1 58 . 19 1 1 A 6 6 ILE HA H 6 4.230 3.994 0.236 1
1 68 . 19 1 1 A 6 6 ILE C C 6 176.253 175.071 1.182 1
1 69 . 19 1 1 A 6 6 ILE CA C 6 61.256 61.622 -0.366 1
1 70 . 19 1 1 A 6 6 ILE CB C 6 38.070 36.335 1.735 1
1 74 . 19 1 1 A 6 6 ILE N N 6 122.472 120.487 1.985 1
1 75 . 19 1 1 A 7 7 LEU H H 7 8.234 8.664 -0.430 1
1 76 . 19 1 1 A 7 7 LEU HA H 7 4.521 4.733 -0.212 1
1 82 . 19 1 1 A 7 7 LEU C C 7 177.087 176.268 0.819 1
1 83 . 19 1 1 A 7 7 LEU CA C 7 55.268 53.686 1.582 1
1 84 . 19 1 1 A 7 7 LEU CB C 7 42.738 45.132 -2.394 1
1 87 . 19 1 1 A 7 7 LEU N N 7 125.667 128.106 -2.439 1
1 88 . 19 1 1 A 8 8 ASN H H 8 8.195 9.052 -0.857 1
1 89 . 19 1 1 A 8 8 ASN HA H 8 4.801 4.788 0.013 1
1 94 . 19 1 1 A 8 8 ASN C C 8 175.345 176.253 -0.908 1
1 95 . 19 1 1 A 8 8 ASN CA C 8 52.541 54.776 -2.235 1
1 96 . 19 1 1 A 8 8 ASN CB C 8 38.782 38.319 0.463 1
1 97 . 19 1 1 A 8 8 ASN N N 8 118.150 123.566 -5.416 1
1 99 . 19 1 1 A 9 9 LEU H H 9 8.434 8.065 0.369 1
1 100 . 19 1 1 A 9 9 LEU HA H 9 3.974 4.279 -0.305 1
1 109 . 19 1 1 A 9 9 LEU C C 9 177.160 178.643 -1.483 1
1 110 . 19 1 1 A 9 9 LEU CA C 9 58.418 56.780 1.638 1
1 111 . 19 1 1 A 9 9 LEU CB C 9 42.073 41.723 0.350 1
1 114 . 19 1 1 A 9 9 LEU N N 9 121.944 119.299 2.645 1
1 115 . 19 1 1 A 10 10 LYS H H 10 8.115 8.198 -0.083 1
1 116 . 19 1 1 A 10 10 LYS HA H 10 3.964 3.918 0.046 1
1 121 . 19 1 1 A 10 10 LYS C C 10 178.535 178.530 0.005 1
1 122 . 19 1 1 A 10 10 LYS CA C 10 60.121 60.304 -0.183 1
1 123 . 19 1 1 A 10 10 LYS CB C 10 32.108 32.065 0.043 1
1 126 . 19 1 1 A 10 10 LYS N N 10 118.923 118.969 -0.046 1
1 127 . 19 1 1 A 11 11 GLN H H 11 7.647 8.098 -0.451 1
1 128 . 19 1 1 A 11 11 GLN HA H 11 4.198 4.071 0.127 1
1 135 . 19 1 1 A 11 11 GLN C C 11 179.267 177.611 1.656 1
1 136 . 19 1 1 A 11 11 GLN CA C 11 59.331 58.670 0.661 1
1 137 . 19 1 1 A 11 11 GLN CB C 11 29.621 28.686 0.935 1
1 139 . 19 1 1 A 11 11 GLN N N 11 117.482 119.316 -1.834 1
1 141 . 19 1 1 A 12 12 ALA H H 12 8.431 8.020 0.411 1
1 142 . 19 1 1 A 12 12 ALA HA H 12 4.200 2.903 1.297 1
1 146 . 19 1 1 A 12 12 ALA C C 12 179.809 179.522 0.287 1
1 147 . 19 1 1 A 12 12 ALA CA C 12 55.484 54.947 0.537 1
1 148 . 19 1 1 A 12 12 ALA CB C 12 18.673 17.938 0.735 1
1 149 . 19 1 1 A 12 12 ALA N N 12 122.387 122.098 0.289 1
1 150 . 19 1 1 A 13 13 LYS H H 13 8.361 8.601 -0.240 1
1 151 . 19 1 1 A 13 13 LYS HA H 13 3.671 3.948 -0.277 1
1 158 . 19 1 1 A 13 13 LYS C C 13 177.701 178.718 -1.017 1
1 159 . 19 1 1 A 13 13 LYS CA C 13 60.773 59.242 1.531 1
1 160 . 19 1 1 A 13 13 LYS CB C 13 33.191 32.274 0.917 1
1 163 . 19 1 1 A 13 13 LYS N N 13 116.790 116.380 0.410 1
1 164 . 19 1 1 A 14 14 GLU H H 14 7.953 7.767 0.186 1
1 165 . 19 1 1 A 14 14 GLU HA H 14 3.979 4.045 -0.066 1
1 170 . 19 1 1 A 14 14 GLU C C 14 178.067 178.467 -0.400 1
1 171 . 19 1 1 A 14 14 GLU CA C 14 59.824 59.097 0.727 1
1 172 . 19 1 1 A 14 14 GLU CB C 14 29.389 29.191 0.198 1
1 174 . 19 1 1 A 14 14 GLU N N 14 116.988 119.371 -2.383 1
1 175 . 19 1 1 A 15 15 GLU H H 15 8.442 8.018 0.424 1
1 176 . 19 1 1 A 15 15 GLU HA H 15 4.053 3.999 0.054 1
1 179 . 19 1 1 A 15 15 GLU C C 15 178.374 178.374 0.000 1
1 180 . 19 1 1 A 15 15 GLU CA C 15 58.307 58.756 -0.449 1
1 181 . 19 1 1 A 15 15 GLU CB C 15 29.030 28.802 0.228 1
1 183 . 19 1 1 A 15 15 GLU N N 15 115.659 119.262 -3.603 1
1 184 . 19 1 1 A 16 16 ALA H H 16 8.555 8.521 0.034 1
1 185 . 19 1 1 A 16 16 ALA HA H 16 4.199 3.952 0.247 1
1 189 . 19 1 1 A 16 16 ALA C C 16 179.399 179.837 -0.438 1
1 190 . 19 1 1 A 16 16 ALA CA C 16 55.233 55.130 0.103 1
1 191 . 19 1 1 A 16 16 ALA CB C 16 17.853 18.347 -0.494 1
1 192 . 19 1 1 A 16 16 ALA N N 16 122.104 122.061 0.043 1
1 193 . 19 1 1 A 17 17 ILE H H 17 8.719 7.705 1.014 1
1 194 . 19 1 1 A 17 17 ILE HA H 17 3.593 3.923 -0.330 1
1 201 . 19 1 1 A 17 17 ILE C C 17 177.131 177.583 -0.452 1
1 202 . 19 1 1 A 17 17 ILE CA C 17 66.796 63.914 2.882 1
1 203 . 19 1 1 A 17 17 ILE CB C 17 37.700 37.675 0.025 1
1 205 . 19 1 1 A 17 17 ILE N N 17 117.581 118.878 -1.297 1
1 206 . 19 1 1 A 18 18 LYS H H 18 7.795 7.899 -0.104 1
1 207 . 19 1 1 A 18 18 LYS HA H 18 4.025 3.889 0.136 1
1 214 . 19 1 1 A 18 18 LYS C C 18 179.340 178.955 0.385 1
1 215 . 19 1 1 A 18 18 LYS CA C 18 59.829 59.791 0.038 1
1 216 . 19 1 1 A 18 18 LYS CB C 18 32.079 32.233 -0.154 1
1 220 . 19 1 1 A 18 18 LYS N N 18 119.291 121.535 -2.244 1
1 221 . 19 1 1 A 19 19 GLU H H 19 8.331 8.449 -0.118 1
1 222 . 19 1 1 A 19 19 GLU HA H 19 4.197 4.019 0.178 1
1 227 . 19 1 1 A 19 19 GLU C C 19 179.926 179.446 0.480 1
1 228 . 19 1 1 A 19 19 GLU CA C 19 58.483 59.029 -0.546 1
1 229 . 19 1 1 A 19 19 GLU CB C 19 28.508 29.385 -0.877 1
1 231 . 19 1 1 A 19 19 GLU N N 19 118.386 118.759 -0.373 1
1 232 . 19 1 1 A 20 20 LEU H H 20 8.270 7.690 0.580 1
1 233 . 19 1 1 A 20 20 LEU HA H 20 4.198 4.064 0.134 1
1 240 . 19 1 1 A 20 20 LEU C C 20 180.511 178.673 1.838 1
1 241 . 19 1 1 A 20 20 LEU CA C 20 57.429 58.015 -0.586 1
1 242 . 19 1 1 A 20 20 LEU CB C 20 40.978 41.530 -0.552 1
1 243 . 19 1 1 A 20 20 LEU N N 20 119.581 121.829 -2.248 1
1 244 . 19 1 1 A 21 21 VAL H H 21 9.479 8.766 0.713 1
1 245 . 19 1 1 A 21 21 VAL HA H 21 3.991 3.499 0.492 1
1 250 . 19 1 1 A 21 21 VAL C C 21 180.906 178.509 2.397 1
1 251 . 19 1 1 A 21 21 VAL CA C 21 66.562 67.141 -0.579 1
1 252 . 19 1 1 A 21 21 VAL CB C 21 31.435 31.214 0.221 1
1 254 . 19 1 1 A 21 21 VAL N N 21 125.030 119.348 5.682 1
1 255 . 19 1 1 A 22 22 ASP H H 22 8.401 8.451 -0.050 1
1 256 . 19 1 1 A 22 22 ASP HA H 22 4.541 4.468 0.073 1
1 259 . 19 1 1 A 22 22 ASP C C 22 177.204 176.326 0.878 1
1 260 . 19 1 1 A 22 22 ASP CA C 22 57.019 56.387 0.632 1
1 261 . 19 1 1 A 22 22 ASP CB C 22 39.983 40.911 -0.928 1
1 262 . 19 1 1 A 22 22 ASP N N 22 122.749 121.304 1.445 1
1 263 . 19 1 1 A 23 23 ALA H H 23 7.485 8.043 -0.558 1
1 264 . 19 1 1 A 23 23 ALA HA H 23 4.522 4.647 -0.125 1
1 268 . 19 1 1 A 23 23 ALA C C 23 177.965 177.207 0.758 1
1 269 . 19 1 1 A 23 23 ALA CA C 23 52.130 53.087 -0.957 1
1 270 . 19 1 1 A 23 23 ALA CB C 23 18.673 20.806 -2.133 1
1 271 . 19 1 1 A 23 23 ALA N N 23 119.207 120.274 -1.067 1
1 272 . 19 1 1 A 24 24 GLY H H 24 8.150 7.589 0.561 1
1 273 . 19 1 1 A 24 24 GLY HA2 H 24 4.183 4.115 0.068 1
1 274 . 19 1 1 A 24 24 GLY HA3 H 24 4.026 4.117 -0.091 1
1 275 . 19 1 1 A 24 24 GLY C C 24 174.731 173.804 0.927 1
1 276 . 19 1 1 A 24 24 GLY CA C 24 45.916 45.840 0.076 1
1 277 . 19 1 1 A 24 24 GLY N N 24 108.009 103.552 4.457 1
1 278 . 19 1 1 A 25 25 THR H H 25 7.786 8.484 -0.698 1
1 279 . 19 1 1 A 25 25 THR HA H 25 4.151 4.276 -0.125 1
1 284 . 19 1 1 A 25 25 THR C C 25 173.194 173.588 -0.394 1
1 285 . 19 1 1 A 25 25 THR CA C 25 63.840 63.409 0.431 1
1 286 . 19 1 1 A 25 25 THR CB C 25 69.255 68.697 0.558 1
1 288 . 19 1 1 A 25 25 THR N N 25 117.202 117.464 -0.262 1
1 289 . 19 1 1 A 26 26 ALA H H 26 8.978 8.257 0.721 1
1 290 . 19 1 1 A 26 26 ALA HA H 26 4.391 4.324 0.067 1
1 294 . 19 1 1 A 26 26 ALA C C 26 178.935 179.007 -0.072 1
1 295 . 19 1 1 A 26 26 ALA CA C 26 53.038 52.004 1.034 1
1 296 . 19 1 1 A 26 26 ALA CB C 26 18.566 18.850 -0.284 1
1 297 . 19 1 1 A 26 26 ALA N N 26 128.127 127.088 1.039 1
1 298 . 19 1 1 A 27 27 GLU H H 27 8.803 8.805 -0.002 1
1 299 . 19 1 1 A 27 27 GLU HA H 27 3.966 4.091 -0.125 1
1 304 . 19 1 1 A 27 27 GLU C C 27 179.999 178.385 1.614 1
1 305 . 19 1 1 A 27 27 GLU CA C 27 59.465 58.953 0.512 1
1 306 . 19 1 1 A 27 27 GLU CB C 27 29.211 28.825 0.386 1
1 308 . 19 1 1 A 27 27 GLU N N 27 123.075 124.932 -1.857 1
1 309 . 19 1 1 A 28 28 LYS H H 28 8.455 8.217 0.238 1
1 310 . 19 1 1 A 28 28 LYS HA H 28 4.048 4.057 -0.009 1
1 315 . 19 1 1 A 28 28 LYS C C 28 177.394 178.499 -1.105 1
1 316 . 19 1 1 A 28 28 LYS CA C 28 58.951 58.729 0.222 1
1 317 . 19 1 1 A 28 28 LYS CB C 28 29.504 32.214 -2.710 1
1 320 . 19 1 1 A 28 28 LYS N N 28 119.368 119.617 -0.249 1
1 321 . 19 1 1 A 29 29 TYR H H 29 7.349 8.336 -0.987 1
1 322 . 19 1 1 A 29 29 TYR HA H 29 4.768 4.156 0.612 1
1 329 . 19 1 1 A 29 29 TYR C C 29 177.496 177.609 -0.113 1
1 330 . 19 1 1 A 29 29 TYR CA C 29 58.599 61.015 -2.416 1
1 331 . 19 1 1 A 29 29 TYR CB C 29 38.229 38.675 -0.446 1
1 336 . 19 1 1 A 29 29 TYR N N 29 117.039 120.724 -3.685 1
1 337 . 19 1 1 A 30 30 ILE H H 30 7.535 8.905 -1.370 1
1 338 . 19 1 1 A 30 30 ILE HA H 30 3.638 3.679 -0.041 1
1 348 . 19 1 1 A 30 30 ILE C C 30 178.462 178.079 0.383 1
1 349 . 19 1 1 A 30 30 ILE CA C 30 65.156 65.466 -0.310 1
1 350 . 19 1 1 A 30 30 ILE CB C 30 36.867 37.794 -0.927 1
1 353 . 19 1 1 A 30 30 ILE N N 30 120.828 120.669 0.159 1
1 354 . 19 1 1 A 31 31 LYS H H 31 7.862 7.807 0.055 1
1 355 . 19 1 1 A 31 31 LYS HA H 31 4.053 3.992 0.061 1
1 360 . 19 1 1 A 31 31 LYS C C 31 178.243 178.726 -0.483 1
1 361 . 19 1 1 A 31 31 LYS CA C 31 58.796 59.169 -0.373 1
1 362 . 19 1 1 A 31 31 LYS CB C 31 31.723 32.181 -0.458 1
1 365 . 19 1 1 A 31 31 LYS N N 31 116.578 121.737 -5.159 1
1 366 . 19 1 1 A 32 32 LEU H H 32 7.353 7.628 -0.275 1
1 367 . 19 1 1 A 32 32 LEU HA H 32 4.128 4.080 0.048 1
1 373 . 19 1 1 A 32 32 LEU C C 32 180.028 178.773 1.255 1
1 374 . 19 1 1 A 32 32 LEU CA C 32 57.809 57.250 0.559 1
1 375 . 19 1 1 A 32 32 LEU CB C 32 41.196 41.911 -0.715 1
1 378 . 19 1 1 A 32 32 LEU N N 32 117.030 120.115 -3.085 1
1 379 . 19 1 1 A 33 33 ILE H H 33 7.494 7.897 -0.403 1
1 380 . 19 1 1 A 33 33 ILE HA H 33 3.760 3.991 -0.231 1
1 387 . 19 1 1 A 33 33 ILE C C 33 178.477 177.970 0.507 1
1 388 . 19 1 1 A 33 33 ILE CA C 33 62.407 63.667 -1.260 1
1 389 . 19 1 1 A 33 33 ILE CB C 33 35.407 37.335 -1.928 1
1 391 . 19 1 1 A 33 33 ILE N N 33 118.141 115.488 2.653 1
1 392 . 19 1 1 A 34 34 ALA H H 34 7.777 7.908 -0.131 1
1 393 . 19 1 1 A 34 34 ALA HA H 34 4.031 4.019 0.012 1
1 397 . 19 1 1 A 34 34 ALA C C 34 178.857 178.660 0.197 1
1 398 . 19 1 1 A 34 34 ALA CA C 34 54.662 54.686 -0.024 1
1 399 . 19 1 1 A 34 34 ALA CB C 34 18.492 18.622 -0.130 1
1 400 . 19 1 1 A 34 34 ALA N N 34 119.230 124.031 -4.801 1
1 401 . 19 1 1 A 35 35 ASN H H 35 7.418 7.793 -0.375 1
1 402 . 19 1 1 A 35 35 ASN HA H 35 4.863 4.849 0.014 1
1 407 . 19 1 1 A 35 35 ASN C C 35 175.345 175.872 -0.527 1
1 408 . 19 1 1 A 35 35 ASN CA C 35 52.686 53.162 -0.476 1
1 409 . 19 1 1 A 35 35 ASN CB C 35 39.075 39.075 0.000 1
1 410 . 19 1 1 A 35 35 ASN N N 35 113.022 114.298 -1.276 1
1 412 . 19 1 1 A 36 36 ALA H H 36 7.529 7.932 -0.403 1
1 413 . 19 1 1 A 36 36 ALA HA H 36 4.329 4.031 0.298 1
1 417 . 19 1 1 A 36 36 ALA C C 36 177.862 178.107 -0.245 1
1 418 . 19 1 1 A 36 36 ALA CA C 36 53.389 55.125 -1.736 1
1 419 . 19 1 1 A 36 36 ALA CB C 36 19.141 18.824 0.317 1
1 420 . 19 1 1 A 36 36 ALA N N 36 124.061 122.464 1.597 1
1 421 . 19 1 1 A 37 37 LYS H H 37 8.891 7.884 1.007 1
1 422 . 19 1 1 A 37 37 LYS HA H 37 4.450 3.963 0.487 1
1 427 . 19 1 1 A 37 37 LYS C C 37 176.758 175.669 1.089 1
1 428 . 19 1 1 A 37 37 LYS CA C 37 56.476 58.867 -2.391 1
1 429 . 19 1 1 A 37 37 LYS CB C 37 34.789 30.989 3.800 1
1 433 . 19 1 1 A 37 37 LYS N N 37 117.071 114.608 2.463 1
1 434 . 19 1 1 A 38 38 THR H H 38 7.406 8.353 -0.947 1
1 435 . 19 1 1 A 38 38 THR HA H 38 4.704 4.411 0.293 1
1 440 . 19 1 1 A 38 38 THR C C 38 173.984 176.073 -2.089 1
1 441 . 19 1 1 A 38 38 THR CA C 38 58.248 61.461 -3.213 1
1 442 . 19 1 1 A 38 38 THR CB C 38 72.884 70.002 2.882 1
1 444 . 19 1 1 A 38 38 THR N N 38 106.340 111.537 -5.197 1
1 445 . 19 1 1 A 39 39 VAL H H 39 8.967 8.987 -0.020 1
1 446 . 19 1 1 A 39 39 VAL HA H 39 3.208 3.919 -0.711 1
1 451 . 19 1 1 A 39 39 VAL C C 39 176.735 178.270 -1.535 1
1 452 . 19 1 1 A 39 39 VAL CA C 39 67.315 65.708 1.607 1
1 453 . 19 1 1 A 39 39 VAL CB C 39 30.909 31.692 -0.783 1
1 455 . 19 1 1 A 39 39 VAL N N 39 122.904 122.247 0.657 1
1 456 . 19 1 1 A 40 40 GLU H H 40 8.900 8.426 0.474 1
1 457 . 19 1 1 A 40 40 GLU HA H 40 4.076 4.048 0.028 1
1 462 . 19 1 1 A 40 40 GLU C C 40 179.355 179.325 0.030 1
1 463 . 19 1 1 A 40 40 GLU CA C 40 60.061 59.514 0.547 1
1 464 . 19 1 1 A 40 40 GLU CB C 40 28.401 29.198 -0.797 1
1 466 . 19 1 1 A 40 40 GLU N N 40 118.190 122.562 -4.372 1
1 467 . 19 1 1 A 41 41 GLY H H 41 8.199 8.375 -0.176 1
1 468 . 19 1 1 A 41 41 GLY HA2 H 41 4.039 3.787 0.252 1
1 469 . 19 1 1 A 41 41 GLY HA3 H 41 3.919 3.795 0.124 1
1 470 . 19 1 1 A 41 41 GLY C C 41 176.267 176.911 -0.644 1
1 471 . 19 1 1 A 41 41 GLY CA C 41 46.167 46.886 -0.719 1
1 472 . 19 1 1 A 41 41 GLY N N 41 108.663 108.380 0.283 1
1 473 . 19 1 1 A 42 42 VAL H H 42 7.662 7.706 -0.044 1
1 474 . 19 1 1 A 42 42 VAL HA H 42 3.182 3.809 -0.627 1
1 479 . 19 1 1 A 42 42 VAL C C 42 177.014 178.233 -1.219 1
1 480 . 19 1 1 A 42 42 VAL CA C 42 67.030 65.620 1.410 1
1 481 . 19 1 1 A 42 42 VAL CB C 42 30.616 31.966 -1.350 1
1 483 . 19 1 1 A 42 42 VAL N N 42 123.036 121.092 1.944 1
1 484 . 19 1 1 A 43 43 TRP H H 43 7.726 8.384 -0.658 1
1 485 . 19 1 1 A 43 43 TRP HA H 43 4.640 4.397 0.243 1
1 494 . 19 1 1 A 43 43 TRP C C 43 179.135 179.097 0.038 1
1 495 . 19 1 1 A 43 43 TRP CA C 43 59.208 60.035 -0.827 1
1 496 . 19 1 1 A 43 43 TRP CB C 43 29.033 29.029 0.004 1
1 502 . 19 1 1 A 43 43 TRP N N 43 118.730 120.087 -1.357 1
1 504 . 19 1 1 A 44 44 THR H H 44 8.545 8.204 0.341 1
1 505 . 19 1 1 A 44 44 THR HA H 44 4.223 4.170 0.053 1
1 510 . 19 1 1 A 44 44 THR C C 44 177.189 176.698 0.491 1
1 511 . 19 1 1 A 44 44 THR CA C 44 66.351 65.491 0.860 1
1 512 . 19 1 1 A 44 44 THR CB C 44 68.921 68.536 0.385 1
1 514 . 19 1 1 A 44 44 THR N N 44 115.228 115.368 -0.140 1
1 515 . 19 1 1 A 45 45 LEU H H 45 7.961 8.047 -0.086 1
1 516 . 19 1 1 A 45 45 LEU HA H 45 4.299 4.022 0.277 1
1 523 . 19 1 1 A 45 45 LEU C C 45 178.301 179.168 -0.867 1
1 524 . 19 1 1 A 45 45 LEU CA C 45 57.759 58.436 -0.677 1
1 525 . 19 1 1 A 45 45 LEU CB C 45 42.462 41.928 0.534 1
1 527 . 19 1 1 A 45 45 LEU N N 45 123.256 121.476 1.780 1
1 528 . 19 1 1 A 46 46 LYS H H 46 8.645 8.002 0.643 1
1 529 . 19 1 1 A 46 46 LYS HA H 46 3.850 3.975 -0.125 1
1 536 . 19 1 1 A 46 46 LYS C C 46 177.716 178.376 -0.660 1
1 537 . 19 1 1 A 46 46 LYS CA C 46 60.731 58.966 1.765 1
1 538 . 19 1 1 A 46 46 LYS CB C 46 30.700 32.132 -1.432 1
1 540 . 19 1 1 A 46 46 LYS N N 46 119.178 117.904 1.274 1
1 541 . 19 1 1 A 47 47 ASP H H 47 7.711 8.150 -0.439 1
1 542 . 19 1 1 A 47 47 ASP HA H 47 4.539 4.325 0.214 1
1 545 . 19 1 1 A 47 47 ASP C C 47 178.755 178.496 0.259 1
1 546 . 19 1 1 A 47 47 ASP CA C 47 57.095 57.505 -0.410 1
1 547 . 19 1 1 A 47 47 ASP CB C 47 40.138 41.341 -1.203 1
1 548 . 19 1 1 A 47 47 ASP N N 47 117.538 119.774 -2.236 1
1 549 . 19 1 1 A 48 48 GLU H H 48 7.951 9.006 -1.055 1
1 550 . 19 1 1 A 48 48 GLU HA H 48 3.989 4.023 -0.034 1
1 555 . 19 1 1 A 48 48 GLU C C 48 179.165 178.740 0.425 1
1 556 . 19 1 1 A 48 48 GLU CA C 48 59.143 59.114 0.029 1
1 557 . 19 1 1 A 48 48 GLU CB C 48 29.783 29.378 0.405 1
1 559 . 19 1 1 A 48 48 GLU N N 48 121.677 118.468 3.209 1
1 560 . 19 1 1 A 49 49 ILE H H 49 8.602 7.629 0.973 1
1 561 . 19 1 1 A 49 49 ILE HA H 49 3.834 3.532 0.302 1
1 568 . 19 1 1 A 49 49 ILE C C 49 177.379 177.851 -0.472 1
1 569 . 19 1 1 A 49 49 ILE CA C 49 64.044 64.913 -0.869 1
1 570 . 19 1 1 A 49 49 ILE CB C 49 37.896 36.331 1.565 1
1 572 . 19 1 1 A 49 49 ILE N N 49 120.326 120.100 0.226 1
1 573 . 19 1 1 A 50 50 LYS H H 50 7.785 7.535 0.250 1
1 574 . 19 1 1 A 50 50 LYS HA H 50 4.057 3.991 0.066 1
1 583 . 19 1 1 A 50 50 LYS C C 50 177.848 179.088 -1.240 1
1 584 . 19 1 1 A 50 50 LYS CA C 50 59.629 59.429 0.200 1
1 585 . 19 1 1 A 50 50 LYS CB C 50 32.026 32.338 -0.312 1
1 587 . 19 1 1 A 50 50 LYS N N 50 119.242 119.676 -0.434 1
1 588 . 19 1 1 A 51 51 THR H H 51 7.609 8.240 -0.631 1
1 589 . 19 1 1 A 51 51 THR HA H 51 4.344 4.272 0.072 1
1 594 . 19 1 1 A 51 51 THR C C 51 175.360 174.502 0.858 1
1 595 . 19 1 1 A 51 51 THR CA C 51 63.224 64.788 -1.564 1
1 596 . 19 1 1 A 51 51 THR CB C 51 69.781 69.172 0.609 1
1 598 . 19 1 1 A 51 51 THR N N 51 109.871 114.713 -4.842 1
1 599 . 19 1 1 A 52 52 PHE H H 52 7.645 8.206 -0.561 1
1 600 . 19 1 1 A 52 52 PHE HA H 52 4.810 4.063 0.747 1
1 607 . 19 1 1 A 52 52 PHE C C 52 176.750 174.613 2.137 1
1 608 . 19 1 1 A 52 52 PHE CA C 52 56.960 58.932 -1.972 1
1 609 . 19 1 1 A 52 52 PHE CB C 52 37.622 37.543 0.079 1
1 614 . 19 1 1 A 52 52 PHE N N 52 120.960 119.850 1.110 1
1 615 . 19 1 1 A 53 53 THR H H 53 8.124 8.238 -0.114 1
1 616 . 19 1 1 A 53 53 THR HA H 53 4.472 4.021 0.451 1
1 621 . 19 1 1 A 53 53 THR C C 53 174.394 173.296 1.098 1
1 622 . 19 1 1 A 53 53 THR CA C 53 62.464 62.184 0.280 1
1 623 . 19 1 1 A 53 53 THR CB C 53 70.045 67.016 3.029 1
1 625 . 19 1 1 A 53 53 THR N N 53 113.896 107.392 6.504 1
1 626 . 19 1 1 A 54 54 VAL H H 54 8.114 7.885 0.229 1
1 627 . 19 1 1 A 54 54 VAL HA H 54 4.346 4.845 -0.499 1
1 632 . 19 1 1 A 54 54 VAL C C 54 176.209 175.029 1.180 1
1 633 . 19 1 1 A 54 54 VAL CA C 54 62.128 60.702 1.426 1
1 634 . 19 1 1 A 54 54 VAL CB C 54 32.694 33.372 -0.678 1
1 636 . 19 1 1 A 54 54 VAL N N 54 122.467 117.868 4.599 1
1 637 . 19 1 1 A 55 55 THR H H 55 8.362 8.934 -0.572 1
1 638 . 19 1 1 A 55 55 THR HA H 55 4.409 4.703 -0.294 1
1 643 . 19 1 1 A 55 55 THR C C 55 173.648 173.128 0.520 1
1 644 . 19 1 1 A 55 55 THR CA C 55 61.875 60.446 1.429 1
1 645 . 19 1 1 A 55 55 THR CB C 55 69.860 69.057 0.803 1
1 647 . 19 1 1 A 55 55 THR N N 55 118.624 121.479 -2.855 1
1 3 . 20 1 1 A 2 2 THR H H 2 8.109 7.517 0.592 1
1 4 . 20 1 1 A 2 2 THR HA H 2 4.400 4.996 -0.596 1
1 9 . 20 1 1 A 2 2 THR C C 2 173.933 172.970 0.963 1
1 10 . 20 1 1 A 2 2 THR CA C 2 61.842 61.553 0.289 1
1 11 . 20 1 1 A 2 2 THR CB C 2 69.793 72.582 -2.789 1
1 13 . 20 1 1 A 2 2 THR N N 2 128.532 116.149 12.383 1
1 14 . 20 1 1 A 3 3 TYR H H 3 8.424 9.126 -0.702 1
1 15 . 20 1 1 A 3 3 TYR HA H 3 4.434 4.961 -0.527 1
1 22 . 20 1 1 A 3 3 TYR C C 3 175.696 176.300 -0.604 1
1 23 . 20 1 1 A 3 3 TYR CA C 3 58.210 57.935 0.275 1
1 24 . 20 1 1 A 3 3 TYR CB C 3 38.473 40.029 -1.556 1
1 27 . 20 1 1 A 3 3 TYR N N 3 123.975 125.154 -1.179 1
1 28 . 20 1 1 A 4 4 LYS H H 4 8.160 8.426 -0.266 1
1 29 . 20 1 1 A 4 4 LYS HA H 4 4.217 4.713 -0.496 1
1 36 . 20 1 1 A 4 4 LYS C C 4 175.989 176.190 -0.201 1
1 37 . 20 1 1 A 4 4 LYS CA C 4 56.657 55.334 1.323 1
1 38 . 20 1 1 A 4 4 LYS CB C 4 32.834 33.385 -0.551 1
1 42 . 20 1 1 A 4 4 LYS N N 4 122.591 118.454 4.137 1
1 43 . 20 1 1 A 5 5 LEU H H 5 8.050 8.144 -0.094 1
1 44 . 20 1 1 A 5 5 LEU HA H 5 4.325 4.390 -0.065 1
1 50 . 20 1 1 A 5 5 LEU C C 5 177.233 175.651 1.582 1
1 51 . 20 1 1 A 5 5 LEU CA C 5 55.392 57.282 -1.890 1
1 52 . 20 1 1 A 5 5 LEU CB C 5 41.995 41.037 0.958 1
1 56 . 20 1 1 A 5 5 LEU N N 5 122.335 118.493 3.842 1
1 57 . 20 1 1 A 6 6 ILE H H 6 8.136 8.762 -0.626 1
1 58 . 20 1 1 A 6 6 ILE HA H 6 4.230 4.087 0.143 1
1 68 . 20 1 1 A 6 6 ILE C C 6 176.253 175.987 0.266 1
1 69 . 20 1 1 A 6 6 ILE CA C 6 61.256 61.913 -0.657 1
1 70 . 20 1 1 A 6 6 ILE CB C 6 38.070 36.681 1.389 1
1 74 . 20 1 1 A 6 6 ILE N N 6 122.472 123.233 -0.761 1
1 75 . 20 1 1 A 7 7 LEU H H 7 8.234 8.800 -0.566 1
1 76 . 20 1 1 A 7 7 LEU HA H 7 4.521 4.580 -0.059 1
1 82 . 20 1 1 A 7 7 LEU C C 7 177.087 176.393 0.694 1
1 83 . 20 1 1 A 7 7 LEU CA C 7 55.268 56.280 -1.012 1
1 84 . 20 1 1 A 7 7 LEU CB C 7 42.738 44.608 -1.870 1
1 87 . 20 1 1 A 7 7 LEU N N 7 125.667 129.672 -4.005 1
1 88 . 20 1 1 A 8 8 ASN H H 8 8.195 8.061 0.134 1
1 89 . 20 1 1 A 8 8 ASN HA H 8 4.801 4.968 -0.167 1
1 94 . 20 1 1 A 8 8 ASN C C 8 175.345 175.494 -0.149 1
1 95 . 20 1 1 A 8 8 ASN CA C 8 52.541 52.206 0.335 1
1 96 . 20 1 1 A 8 8 ASN CB C 8 38.782 38.610 0.172 1
1 97 . 20 1 1 A 8 8 ASN N N 8 118.150 116.758 1.392 1
1 99 . 20 1 1 A 9 9 LEU H H 9 8.434 8.574 -0.140 1
1 100 . 20 1 1 A 9 9 LEU HA H 9 3.974 4.055 -0.081 1
1 109 . 20 1 1 A 9 9 LEU C C 9 177.160 178.823 -1.663 1
1 110 . 20 1 1 A 9 9 LEU CA C 9 58.418 56.815 1.603 1
1 111 . 20 1 1 A 9 9 LEU CB C 9 42.073 41.881 0.192 1
1 114 . 20 1 1 A 9 9 LEU N N 9 121.944 124.959 -3.015 1
1 115 . 20 1 1 A 10 10 LYS H H 10 8.115 8.175 -0.060 1
1 116 . 20 1 1 A 10 10 LYS HA H 10 3.964 3.871 0.093 1
1 121 . 20 1 1 A 10 10 LYS C C 10 178.535 178.873 -0.338 1
1 122 . 20 1 1 A 10 10 LYS CA C 10 60.121 60.288 -0.167 1
1 123 . 20 1 1 A 10 10 LYS CB C 10 32.108 32.162 -0.054 1
1 126 . 20 1 1 A 10 10 LYS N N 10 118.923 118.090 0.833 1
1 127 . 20 1 1 A 11 11 GLN H H 11 7.647 8.103 -0.456 1
1 128 . 20 1 1 A 11 11 GLN HA H 11 4.198 4.108 0.090 1
1 135 . 20 1 1 A 11 11 GLN C C 11 179.267 177.946 1.321 1
1 136 . 20 1 1 A 11 11 GLN CA C 11 59.331 58.770 0.561 1
1 137 . 20 1 1 A 11 11 GLN CB C 11 29.621 28.810 0.811 1
1 139 . 20 1 1 A 11 11 GLN N N 11 117.482 119.362 -1.880 1
1 141 . 20 1 1 A 12 12 ALA H H 12 8.431 7.873 0.558 1
1 142 . 20 1 1 A 12 12 ALA HA H 12 4.200 2.571 1.629 1
1 146 . 20 1 1 A 12 12 ALA C C 12 179.809 179.063 0.746 1
1 147 . 20 1 1 A 12 12 ALA CA C 12 55.484 54.692 0.792 1
1 148 . 20 1 1 A 12 12 ALA CB C 12 18.673 17.387 1.286 1
1 149 . 20 1 1 A 12 12 ALA N N 12 122.387 121.597 0.790 1
1 150 . 20 1 1 A 13 13 LYS H H 13 8.361 8.773 -0.412 1
1 151 . 20 1 1 A 13 13 LYS HA H 13 3.671 3.767 -0.096 1
1 158 . 20 1 1 A 13 13 LYS C C 13 177.701 179.042 -1.341 1
1 159 . 20 1 1 A 13 13 LYS CA C 13 60.773 59.561 1.212 1
1 160 . 20 1 1 A 13 13 LYS CB C 13 33.191 32.340 0.851 1
1 163 . 20 1 1 A 13 13 LYS N N 13 116.790 116.964 -0.174 1
1 164 . 20 1 1 A 14 14 GLU H H 14 7.953 8.206 -0.253 1
1 165 . 20 1 1 A 14 14 GLU HA H 14 3.979 4.068 -0.089 1
1 170 . 20 1 1 A 14 14 GLU C C 14 178.067 178.737 -0.670 1
1 171 . 20 1 1 A 14 14 GLU CA C 14 59.824 59.318 0.506 1
1 172 . 20 1 1 A 14 14 GLU CB C 14 29.389 29.145 0.244 1
1 174 . 20 1 1 A 14 14 GLU N N 14 116.988 119.631 -2.643 1
1 175 . 20 1 1 A 15 15 GLU H H 15 8.442 7.996 0.446 1
1 176 . 20 1 1 A 15 15 GLU HA H 15 4.053 4.135 -0.082 1
1 179 . 20 1 1 A 15 15 GLU C C 15 178.374 178.604 -0.230 1
1 180 . 20 1 1 A 15 15 GLU CA C 15 58.307 58.904 -0.597 1
1 181 . 20 1 1 A 15 15 GLU CB C 15 29.030 29.195 -0.165 1
1 183 . 20 1 1 A 15 15 GLU N N 15 115.659 119.262 -3.603 1
1 184 . 20 1 1 A 16 16 ALA H H 16 8.555 8.399 0.156 1
1 185 . 20 1 1 A 16 16 ALA HA H 16 4.199 4.044 0.155 1
1 189 . 20 1 1 A 16 16 ALA C C 16 179.399 180.083 -0.684 1
1 190 . 20 1 1 A 16 16 ALA CA C 16 55.233 55.206 0.027 1
1 191 . 20 1 1 A 16 16 ALA CB C 16 17.853 18.334 -0.481 1
1 192 . 20 1 1 A 16 16 ALA N N 16 122.104 122.125 -0.021 1
1 193 . 20 1 1 A 17 17 ILE H H 17 8.719 7.678 1.041 1
1 194 . 20 1 1 A 17 17 ILE HA H 17 3.593 3.916 -0.323 1
1 201 . 20 1 1 A 17 17 ILE C C 17 177.131 177.633 -0.502 1
1 202 . 20 1 1 A 17 17 ILE CA C 17 66.796 64.156 2.640 1
1 203 . 20 1 1 A 17 17 ILE CB C 17 37.700 37.758 -0.058 1
1 205 . 20 1 1 A 17 17 ILE N N 17 117.581 118.639 -1.058 1
1 206 . 20 1 1 A 18 18 LYS H H 18 7.795 7.828 -0.033 1
1 207 . 20 1 1 A 18 18 LYS HA H 18 4.025 3.939 0.086 1
1 214 . 20 1 1 A 18 18 LYS C C 18 179.340 178.881 0.459 1
1 215 . 20 1 1 A 18 18 LYS CA C 18 59.829 59.820 0.009 1
1 216 . 20 1 1 A 18 18 LYS CB C 18 32.079 32.249 -0.170 1
1 220 . 20 1 1 A 18 18 LYS N N 18 119.291 121.507 -2.216 1
1 221 . 20 1 1 A 19 19 GLU H H 19 8.331 8.702 -0.371 1
1 222 . 20 1 1 A 19 19 GLU HA H 19 4.197 4.016 0.181 1
1 227 . 20 1 1 A 19 19 GLU C C 19 179.926 179.642 0.284 1
1 228 . 20 1 1 A 19 19 GLU CA C 19 58.483 59.135 -0.652 1
1 229 . 20 1 1 A 19 19 GLU CB C 19 28.508 29.294 -0.786 1
1 231 . 20 1 1 A 19 19 GLU N N 19 118.386 118.750 -0.364 1
1 232 . 20 1 1 A 20 20 LEU H H 20 8.270 7.809 0.461 1
1 233 . 20 1 1 A 20 20 LEU HA H 20 4.198 4.111 0.087 1
1 240 . 20 1 1 A 20 20 LEU C C 20 180.511 178.961 1.550 1
1 241 . 20 1 1 A 20 20 LEU CA C 20 57.429 58.022 -0.593 1
1 242 . 20 1 1 A 20 20 LEU CB C 20 40.978 41.689 -0.711 1
1 243 . 20 1 1 A 20 20 LEU N N 20 119.581 121.600 -2.019 1
1 244 . 20 1 1 A 21 21 VAL H H 21 9.479 8.631 0.848 1
1 245 . 20 1 1 A 21 21 VAL HA H 21 3.991 3.548 0.443 1
1 250 . 20 1 1 A 21 21 VAL C C 21 180.906 178.249 2.657 1
1 251 . 20 1 1 A 21 21 VAL CA C 21 66.562 67.021 -0.459 1
1 252 . 20 1 1 A 21 21 VAL CB C 21 31.435 31.404 0.031 1
1 254 . 20 1 1 A 21 21 VAL N N 21 125.030 119.343 5.687 1
1 255 . 20 1 1 A 22 22 ASP H H 22 8.401 8.848 -0.447 1
1 256 . 20 1 1 A 22 22 ASP HA H 22 4.541 4.436 0.105 1
1 259 . 20 1 1 A 22 22 ASP C C 22 177.204 176.867 0.337 1
1 260 . 20 1 1 A 22 22 ASP CA C 22 57.019 56.553 0.466 1
1 261 . 20 1 1 A 22 22 ASP CB C 22 39.983 40.898 -0.915 1
1 262 . 20 1 1 A 22 22 ASP N N 22 122.749 120.996 1.753 1
1 263 . 20 1 1 A 23 23 ALA H H 23 7.485 7.766 -0.281 1
1 264 . 20 1 1 A 23 23 ALA HA H 23 4.522 4.434 0.088 1
1 268 . 20 1 1 A 23 23 ALA C C 23 177.965 177.641 0.324 1
1 269 . 20 1 1 A 23 23 ALA CA C 23 52.130 53.666 -1.536 1
1 270 . 20 1 1 A 23 23 ALA CB C 23 18.673 20.292 -1.619 1
1 271 . 20 1 1 A 23 23 ALA N N 23 119.207 119.741 -0.534 1
1 272 . 20 1 1 A 24 24 GLY H H 24 8.150 8.007 0.143 1
1 273 . 20 1 1 A 24 24 GLY HA2 H 24 4.183 4.043 0.140 1
1 274 . 20 1 1 A 24 24 GLY HA3 H 24 4.026 4.045 -0.019 1
1 275 . 20 1 1 A 24 24 GLY C C 24 174.731 174.355 0.376 1
1 276 . 20 1 1 A 24 24 GLY CA C 24 45.916 45.899 0.017 1
1 277 . 20 1 1 A 24 24 GLY N N 24 108.009 105.127 2.882 1
1 278 . 20 1 1 A 25 25 THR H H 25 7.786 7.713 0.073 1
1 279 . 20 1 1 A 25 25 THR HA H 25 4.151 4.811 -0.660 1
1 284 . 20 1 1 A 25 25 THR C C 25 173.194 173.768 -0.574 1
1 285 . 20 1 1 A 25 25 THR CA C 25 63.840 59.662 4.178 1
1 286 . 20 1 1 A 25 25 THR CB C 25 69.255 71.167 -1.912 1
1 288 . 20 1 1 A 25 25 THR N N 25 117.202 113.700 3.502 1
1 289 . 20 1 1 A 26 26 ALA H H 26 8.978 8.147 0.831 1
1 290 . 20 1 1 A 26 26 ALA HA H 26 4.391 4.216 0.175 1
1 294 . 20 1 1 A 26 26 ALA C C 26 178.935 178.389 0.546 1
1 295 . 20 1 1 A 26 26 ALA CA C 26 53.038 52.805 0.233 1
1 296 . 20 1 1 A 26 26 ALA CB C 26 18.566 19.458 -0.892 1
1 297 . 20 1 1 A 26 26 ALA N N 26 128.127 127.541 0.586 1
1 298 . 20 1 1 A 27 27 GLU H H 27 8.803 8.674 0.129 1
1 299 . 20 1 1 A 27 27 GLU HA H 27 3.966 4.122 -0.156 1
1 304 . 20 1 1 A 27 27 GLU C C 27 179.999 178.485 1.514 1
1 305 . 20 1 1 A 27 27 GLU CA C 27 59.465 59.332 0.133 1
1 306 . 20 1 1 A 27 27 GLU CB C 27 29.211 29.300 -0.089 1
1 308 . 20 1 1 A 27 27 GLU N N 27 123.075 124.830 -1.755 1
1 309 . 20 1 1 A 28 28 LYS H H 28 8.455 8.292 0.163 1
1 310 . 20 1 1 A 28 28 LYS HA H 28 4.048 4.046 0.002 1
1 315 . 20 1 1 A 28 28 LYS C C 28 177.394 178.721 -1.327 1
1 316 . 20 1 1 A 28 28 LYS CA C 28 58.951 59.002 -0.051 1
1 317 . 20 1 1 A 28 28 LYS CB C 28 29.504 32.262 -2.758 1
1 320 . 20 1 1 A 28 28 LYS N N 28 119.368 120.543 -1.175 1
1 321 . 20 1 1 A 29 29 TYR H H 29 7.349 8.255 -0.906 1
1 322 . 20 1 1 A 29 29 TYR HA H 29 4.768 4.292 0.476 1
1 329 . 20 1 1 A 29 29 TYR C C 29 177.496 177.945 -0.449 1
1 330 . 20 1 1 A 29 29 TYR CA C 29 58.599 61.204 -2.605 1
1 331 . 20 1 1 A 29 29 TYR CB C 29 38.229 38.847 -0.618 1
1 336 . 20 1 1 A 29 29 TYR N N 29 117.039 120.474 -3.435 1
1 337 . 20 1 1 A 30 30 ILE H H 30 7.535 8.361 -0.826 1
1 338 . 20 1 1 A 30 30 ILE HA H 30 3.638 3.888 -0.250 1
1 348 . 20 1 1 A 30 30 ILE C C 30 178.462 177.778 0.684 1
1 349 . 20 1 1 A 30 30 ILE CA C 30 65.156 63.283 1.873 1
1 350 . 20 1 1 A 30 30 ILE CB C 30 36.867 37.363 -0.496 1
1 353 . 20 1 1 A 30 30 ILE N N 30 120.828 119.907 0.921 1
1 354 . 20 1 1 A 31 31 LYS H H 31 7.862 8.152 -0.290 1
1 355 . 20 1 1 A 31 31 LYS HA H 31 4.053 4.054 -0.001 1
1 360 . 20 1 1 A 31 31 LYS C C 31 178.243 178.997 -0.754 1
1 361 . 20 1 1 A 31 31 LYS CA C 31 58.796 58.796 0.000 1
1 362 . 20 1 1 A 31 31 LYS CB C 31 31.723 31.876 -0.153 1
1 365 . 20 1 1 A 31 31 LYS N N 31 116.578 121.489 -4.911 1
1 366 . 20 1 1 A 32 32 LEU H H 32 7.353 7.902 -0.549 1
1 367 . 20 1 1 A 32 32 LEU HA H 32 4.128 4.077 0.051 1
1 373 . 20 1 1 A 32 32 LEU C C 32 180.028 179.506 0.522 1
1 374 . 20 1 1 A 32 32 LEU CA C 32 57.809 57.934 -0.125 1
1 375 . 20 1 1 A 32 32 LEU CB C 32 41.196 41.486 -0.290 1
1 378 . 20 1 1 A 32 32 LEU N N 32 117.030 120.284 -3.254 1
1 379 . 20 1 1 A 33 33 ILE H H 33 7.494 7.528 -0.034 1
1 380 . 20 1 1 A 33 33 ILE HA H 33 3.760 3.961 -0.201 1
1 387 . 20 1 1 A 33 33 ILE C C 33 178.477 177.921 0.556 1
1 388 . 20 1 1 A 33 33 ILE CA C 33 62.407 63.620 -1.213 1
1 389 . 20 1 1 A 33 33 ILE CB C 33 35.407 37.431 -2.024 1
1 391 . 20 1 1 A 33 33 ILE N N 33 118.141 115.147 2.994 1
1 392 . 20 1 1 A 34 34 ALA H H 34 7.777 7.708 0.069 1
1 393 . 20 1 1 A 34 34 ALA HA H 34 4.031 3.967 0.064 1
1 397 . 20 1 1 A 34 34 ALA C C 34 178.857 178.957 -0.100 1
1 398 . 20 1 1 A 34 34 ALA CA C 34 54.662 55.513 -0.851 1
1 399 . 20 1 1 A 34 34 ALA CB C 34 18.492 18.900 -0.408 1
1 400 . 20 1 1 A 34 34 ALA N N 34 119.230 124.423 -5.193 1
1 401 . 20 1 1 A 35 35 ASN H H 35 7.418 7.884 -0.466 1
1 402 . 20 1 1 A 35 35 ASN HA H 35 4.863 4.779 0.084 1
1 407 . 20 1 1 A 35 35 ASN C C 35 175.345 175.354 -0.009 1
1 408 . 20 1 1 A 35 35 ASN CA C 35 52.686 54.194 -1.508 1
1 409 . 20 1 1 A 35 35 ASN CB C 35 39.075 40.160 -1.085 1
1 410 . 20 1 1 A 35 35 ASN N N 35 113.022 115.466 -2.444 1
1 412 . 20 1 1 A 36 36 ALA H H 36 7.529 7.858 -0.329 1
1 413 . 20 1 1 A 36 36 ALA HA H 36 4.329 3.938 0.391 1
1 417 . 20 1 1 A 36 36 ALA C C 36 177.862 177.570 0.292 1
1 418 . 20 1 1 A 36 36 ALA CA C 36 53.389 54.311 -0.922 1
1 419 . 20 1 1 A 36 36 ALA CB C 36 19.141 17.961 1.180 1
1 420 . 20 1 1 A 36 36 ALA N N 36 124.061 120.941 3.120 1
1 421 . 20 1 1 A 37 37 LYS H H 37 8.891 8.206 0.685 1
1 422 . 20 1 1 A 37 37 LYS HA H 37 4.450 4.496 -0.046 1
1 427 . 20 1 1 A 37 37 LYS C C 37 176.758 175.646 1.112 1
1 428 . 20 1 1 A 37 37 LYS CA C 37 56.476 57.431 -0.955 1
1 429 . 20 1 1 A 37 37 LYS CB C 37 34.789 35.394 -0.605 1
1 433 . 20 1 1 A 37 37 LYS N N 37 117.071 119.515 -2.444 1
1 434 . 20 1 1 A 38 38 THR H H 38 7.406 7.515 -0.109 1
1 435 . 20 1 1 A 38 38 THR HA H 38 4.704 4.680 0.024 1
1 440 . 20 1 1 A 38 38 THR C C 38 173.984 174.488 -0.504 1
1 441 . 20 1 1 A 38 38 THR CA C 38 58.248 59.290 -1.042 1
1 442 . 20 1 1 A 38 38 THR CB C 38 72.884 72.257 0.627 1
1 444 . 20 1 1 A 38 38 THR N N 38 106.340 109.328 -2.988 1
1 445 . 20 1 1 A 39 39 VAL H H 39 8.967 9.045 -0.078 1
1 446 . 20 1 1 A 39 39 VAL HA H 39 3.208 3.682 -0.474 1
1 451 . 20 1 1 A 39 39 VAL C C 39 176.735 177.508 -0.773 1
1 452 . 20 1 1 A 39 39 VAL CA C 39 67.315 67.120 0.195 1
1 453 . 20 1 1 A 39 39 VAL CB C 39 30.909 32.095 -1.186 1
1 455 . 20 1 1 A 39 39 VAL N N 39 122.904 122.671 0.233 1
1 456 . 20 1 1 A 40 40 GLU H H 40 8.900 8.544 0.356 1
1 457 . 20 1 1 A 40 40 GLU HA H 40 4.076 4.244 -0.168 1
1 462 . 20 1 1 A 40 40 GLU C C 40 179.355 179.406 -0.051 1
1 463 . 20 1 1 A 40 40 GLU CA C 40 60.061 59.478 0.583 1
1 464 . 20 1 1 A 40 40 GLU CB C 40 28.401 29.198 -0.797 1
1 466 . 20 1 1 A 40 40 GLU N N 40 118.190 119.578 -1.388 1
1 467 . 20 1 1 A 41 41 GLY H H 41 8.199 8.396 -0.197 1
1 468 . 20 1 1 A 41 41 GLY HA2 H 41 4.039 3.766 0.273 1
1 469 . 20 1 1 A 41 41 GLY HA3 H 41 3.919 3.777 0.142 1
1 470 . 20 1 1 A 41 41 GLY C C 41 176.267 176.766 -0.499 1
1 471 . 20 1 1 A 41 41 GLY CA C 41 46.167 47.322 -1.155 1
1 472 . 20 1 1 A 41 41 GLY N N 41 108.663 108.438 0.225 1
1 473 . 20 1 1 A 42 42 VAL H H 42 7.662 7.628 0.034 1
1 474 . 20 1 1 A 42 42 VAL HA H 42 3.182 3.713 -0.531 1
1 479 . 20 1 1 A 42 42 VAL C C 42 177.014 178.340 -1.326 1
1 480 . 20 1 1 A 42 42 VAL CA C 42 67.030 65.620 1.410 1
1 481 . 20 1 1 A 42 42 VAL CB C 42 30.616 31.466 -0.850 1
1 483 . 20 1 1 A 42 42 VAL N N 42 123.036 121.268 1.768 1
1 484 . 20 1 1 A 43 43 TRP H H 43 7.726 7.811 -0.085 1
1 485 . 20 1 1 A 43 43 TRP HA H 43 4.640 4.439 0.201 1
1 494 . 20 1 1 A 43 43 TRP C C 43 179.135 179.021 0.114 1
1 495 . 20 1 1 A 43 43 TRP CA C 43 59.208 59.958 -0.750 1
1 496 . 20 1 1 A 43 43 TRP CB C 43 29.033 29.104 -0.071 1
1 502 . 20 1 1 A 43 43 TRP N N 43 118.730 119.779 -1.049 1
1 504 . 20 1 1 A 44 44 THR H H 44 8.545 8.274 0.271 1
1 505 . 20 1 1 A 44 44 THR HA H 44 4.223 4.185 0.038 1
1 510 . 20 1 1 A 44 44 THR C C 44 177.189 176.862 0.327 1
1 511 . 20 1 1 A 44 44 THR CA C 44 66.351 65.510 0.841 1
1 512 . 20 1 1 A 44 44 THR CB C 44 68.921 68.593 0.328 1
1 514 . 20 1 1 A 44 44 THR N N 44 115.228 115.168 0.060 1
1 515 . 20 1 1 A 45 45 LEU H H 45 7.961 7.955 0.006 1
1 516 . 20 1 1 A 45 45 LEU HA H 45 4.299 4.028 0.271 1
1 523 . 20 1 1 A 45 45 LEU C C 45 178.301 178.921 -0.620 1
1 524 . 20 1 1 A 45 45 LEU CA C 45 57.759 58.333 -0.574 1
1 525 . 20 1 1 A 45 45 LEU CB C 45 42.462 41.790 0.672 1
1 527 . 20 1 1 A 45 45 LEU N N 45 123.256 121.346 1.910 1
1 528 . 20 1 1 A 46 46 LYS H H 46 8.645 7.969 0.676 1
1 529 . 20 1 1 A 46 46 LYS HA H 46 3.850 3.997 -0.147 1
1 536 . 20 1 1 A 46 46 LYS C C 46 177.716 178.243 -0.527 1
1 537 . 20 1 1 A 46 46 LYS CA C 46 60.731 59.005 1.726 1
1 538 . 20 1 1 A 46 46 LYS CB C 46 30.700 32.206 -1.506 1
1 540 . 20 1 1 A 46 46 LYS N N 46 119.178 117.902 1.276 1
1 541 . 20 1 1 A 47 47 ASP H H 47 7.711 8.095 -0.384 1
1 542 . 20 1 1 A 47 47 ASP HA H 47 4.539 4.398 0.141 1
1 545 . 20 1 1 A 47 47 ASP C C 47 178.755 178.518 0.237 1
1 546 . 20 1 1 A 47 47 ASP CA C 47 57.095 57.229 -0.134 1
1 547 . 20 1 1 A 47 47 ASP CB C 47 40.138 41.312 -1.174 1
1 548 . 20 1 1 A 47 47 ASP N N 47 117.538 119.558 -2.020 1
1 549 . 20 1 1 A 48 48 GLU H H 48 7.951 8.423 -0.472 1
1 550 . 20 1 1 A 48 48 GLU HA H 48 3.989 4.024 -0.035 1
1 555 . 20 1 1 A 48 48 GLU C C 48 179.165 179.613 -0.448 1
1 556 . 20 1 1 A 48 48 GLU CA C 48 59.143 59.046 0.097 1
1 557 . 20 1 1 A 48 48 GLU CB C 48 29.783 29.176 0.607 1
1 559 . 20 1 1 A 48 48 GLU N N 48 121.677 118.377 3.300 1
1 560 . 20 1 1 A 49 49 ILE H H 49 8.602 7.561 1.041 1
1 561 . 20 1 1 A 49 49 ILE HA H 49 3.834 3.654 0.180 1
1 568 . 20 1 1 A 49 49 ILE C C 49 177.379 178.191 -0.812 1
1 569 . 20 1 1 A 49 49 ILE CA C 49 64.044 65.070 -1.026 1
1 570 . 20 1 1 A 49 49 ILE CB C 49 37.896 36.413 1.483 1
1 572 . 20 1 1 A 49 49 ILE N N 49 120.326 120.847 -0.521 1
1 573 . 20 1 1 A 50 50 LYS H H 50 7.785 7.445 0.340 1
1 574 . 20 1 1 A 50 50 LYS HA H 50 4.057 4.055 0.002 1
1 583 . 20 1 1 A 50 50 LYS C C 50 177.848 178.100 -0.252 1
1 584 . 20 1 1 A 50 50 LYS CA C 50 59.629 58.973 0.656 1
1 585 . 20 1 1 A 50 50 LYS CB C 50 32.026 32.016 0.010 1
1 587 . 20 1 1 A 50 50 LYS N N 50 119.242 119.233 0.009 1
1 588 . 20 1 1 A 51 51 THR H H 51 7.609 7.392 0.217 1
1 589 . 20 1 1 A 51 51 THR HA H 51 4.344 4.226 0.118 1
1 594 . 20 1 1 A 51 51 THR C C 51 175.360 174.893 0.467 1
1 595 . 20 1 1 A 51 51 THR CA C 51 63.224 64.868 -1.644 1
1 596 . 20 1 1 A 51 51 THR CB C 51 69.781 69.922 -0.141 1
1 598 . 20 1 1 A 51 51 THR N N 51 109.871 112.303 -2.432 1
1 599 . 20 1 1 A 52 52 PHE H H 52 7.645 8.460 -0.815 1
1 600 . 20 1 1 A 52 52 PHE HA H 52 4.810 4.622 0.188 1
1 607 . 20 1 1 A 52 52 PHE C C 52 176.750 174.846 1.904 1
1 608 . 20 1 1 A 52 52 PHE CA C 52 56.960 57.442 -0.482 1
1 609 . 20 1 1 A 52 52 PHE CB C 52 37.622 39.190 -1.568 1
1 614 . 20 1 1 A 52 52 PHE N N 52 120.960 122.122 -1.162 1
1 615 . 20 1 1 A 53 53 THR H H 53 8.124 7.602 0.522 1
1 616 . 20 1 1 A 53 53 THR HA H 53 4.472 4.181 0.291 1
1 621 . 20 1 1 A 53 53 THR C C 53 174.394 175.665 -1.271 1
1 622 . 20 1 1 A 53 53 THR CA C 53 62.464 62.442 0.022 1
1 623 . 20 1 1 A 53 53 THR CB C 53 70.045 69.588 0.457 1
1 625 . 20 1 1 A 53 53 THR N N 53 113.896 113.257 0.639 1
1 626 . 20 1 1 A 54 54 VAL H H 54 8.114 8.815 -0.701 1
1 627 . 20 1 1 A 54 54 VAL HA H 54 4.346 3.649 0.697 1
1 632 . 20 1 1 A 54 54 VAL C C 54 176.209 176.404 -0.195 1
1 633 . 20 1 1 A 54 54 VAL CA C 54 62.128 64.834 -2.706 1
1 634 . 20 1 1 A 54 54 VAL CB C 54 32.694 31.313 1.381 1
1 636 . 20 1 1 A 54 54 VAL N N 54 122.467 121.785 0.682 1
1 637 . 20 1 1 A 55 55 THR H H 55 8.362 7.539 0.823 1
1 638 . 20 1 1 A 55 55 THR HA H 55 4.409 4.376 0.033 1
1 643 . 20 1 1 A 55 55 THR C C 55 173.648 175.044 -1.396 1
1 644 . 20 1 1 A 55 55 THR CA C 55 61.875 62.075 -0.200 1
1 645 . 20 1 1 A 55 55 THR CB C 55 69.860 66.749 3.111 1
1 647 . 20 1 1 A 55 55 THR N N 55 118.624 118.600 0.024 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 54 1.036 1
2 1 1 1 "RMS(OBS, PRED)" CA 54 1.199 1
3 1 1 1 "RMS(OBS, PRED)" CB 52 1.200 1
4 1 1 1 "RMS(OBS, PRED)" H 54 0.518 1
5 1 1 1 "RMS(OBS, PRED)" HA 56 0.348 1
6 1 1 1 "RMS(OBS, PRED)" N 54 3.829 1
7 1 2 1 "RMS(OBS, PRED)" C 54 1.028 1
8 1 2 1 "RMS(OBS, PRED)" CA 54 1.250 1
9 1 2 1 "RMS(OBS, PRED)" CB 52 1.355 1
10 1 2 1 "RMS(OBS, PRED)" H 54 0.570 1
11 1 2 1 "RMS(OBS, PRED)" HA 56 0.352 1
12 1 2 1 "RMS(OBS, PRED)" N 54 3.028 1
13 1 3 1 "RMS(OBS, PRED)" C 54 0.959 1
14 1 3 1 "RMS(OBS, PRED)" CA 54 0.976 1
15 1 3 1 "RMS(OBS, PRED)" CB 52 1.040 1
16 1 3 1 "RMS(OBS, PRED)" H 54 0.538 1
17 1 3 1 "RMS(OBS, PRED)" HA 56 0.314 1
18 1 3 1 "RMS(OBS, PRED)" N 54 2.754 1
19 1 4 1 "RMS(OBS, PRED)" C 54 1.123 1
20 1 4 1 "RMS(OBS, PRED)" CA 54 1.047 1
21 1 4 1 "RMS(OBS, PRED)" CB 52 1.360 1
22 1 4 1 "RMS(OBS, PRED)" H 54 0.513 1
23 1 4 1 "RMS(OBS, PRED)" HA 56 0.330 1
24 1 4 1 "RMS(OBS, PRED)" N 54 3.276 1
25 1 5 1 "RMS(OBS, PRED)" C 54 1.077 1
26 1 5 1 "RMS(OBS, PRED)" CA 54 1.295 1
27 1 5 1 "RMS(OBS, PRED)" CB 52 1.238 1
28 1 5 1 "RMS(OBS, PRED)" H 54 0.539 1
29 1 5 1 "RMS(OBS, PRED)" HA 56 0.330 1
30 1 5 1 "RMS(OBS, PRED)" N 54 3.491 1
31 1 6 1 "RMS(OBS, PRED)" C 54 0.978 1
32 1 6 1 "RMS(OBS, PRED)" CA 54 1.169 1
33 1 6 1 "RMS(OBS, PRED)" CB 52 1.120 1
34 1 6 1 "RMS(OBS, PRED)" H 54 0.544 1
35 1 6 1 "RMS(OBS, PRED)" HA 56 0.332 1
36 1 6 1 "RMS(OBS, PRED)" N 54 3.303 1
37 1 7 1 "RMS(OBS, PRED)" C 54 1.098 1
38 1 7 1 "RMS(OBS, PRED)" CA 54 1.419 1
39 1 7 1 "RMS(OBS, PRED)" CB 52 1.376 1
40 1 7 1 "RMS(OBS, PRED)" H 54 0.522 1
41 1 7 1 "RMS(OBS, PRED)" HA 56 0.337 1
42 1 7 1 "RMS(OBS, PRED)" N 54 3.672 1
43 1 8 1 "RMS(OBS, PRED)" C 54 1.008 1
44 1 8 1 "RMS(OBS, PRED)" CA 54 1.170 1
45 1 8 1 "RMS(OBS, PRED)" CB 52 1.243 1
46 1 8 1 "RMS(OBS, PRED)" H 54 0.514 1
47 1 8 1 "RMS(OBS, PRED)" HA 56 0.307 1
48 1 8 1 "RMS(OBS, PRED)" N 54 3.532 1
49 1 9 1 "RMS(OBS, PRED)" C 54 1.084 1
50 1 9 1 "RMS(OBS, PRED)" CA 54 1.260 1
51 1 9 1 "RMS(OBS, PRED)" CB 52 1.210 1
52 1 9 1 "RMS(OBS, PRED)" H 54 0.506 1
53 1 9 1 "RMS(OBS, PRED)" HA 56 0.343 1
54 1 9 1 "RMS(OBS, PRED)" N 54 3.456 1
55 1 10 1 "RMS(OBS, PRED)" C 54 1.016 1
56 1 10 1 "RMS(OBS, PRED)" CA 54 1.191 1
57 1 10 1 "RMS(OBS, PRED)" CB 52 0.940 1
58 1 10 1 "RMS(OBS, PRED)" H 54 0.453 1
59 1 10 1 "RMS(OBS, PRED)" HA 56 0.335 1
60 1 10 1 "RMS(OBS, PRED)" N 54 3.332 1
61 1 11 1 "RMS(OBS, PRED)" C 54 1.092 1
62 1 11 1 "RMS(OBS, PRED)" CA 54 1.308 1
63 1 11 1 "RMS(OBS, PRED)" CB 52 1.140 1
64 1 11 1 "RMS(OBS, PRED)" H 54 0.522 1
65 1 11 1 "RMS(OBS, PRED)" HA 56 0.308 1
66 1 11 1 "RMS(OBS, PRED)" N 54 2.847 1
67 1 12 1 "RMS(OBS, PRED)" C 54 1.127 1
68 1 12 1 "RMS(OBS, PRED)" CA 54 1.336 1
69 1 12 1 "RMS(OBS, PRED)" CB 52 1.108 1
70 1 12 1 "RMS(OBS, PRED)" H 54 0.525 1
71 1 12 1 "RMS(OBS, PRED)" HA 56 0.387 1
72 1 12 1 "RMS(OBS, PRED)" N 54 3.482 1
73 1 13 1 "RMS(OBS, PRED)" C 54 0.979 1
74 1 13 1 "RMS(OBS, PRED)" CA 54 1.355 1
75 1 13 1 "RMS(OBS, PRED)" CB 52 1.428 1
76 1 13 1 "RMS(OBS, PRED)" H 54 0.529 1
77 1 13 1 "RMS(OBS, PRED)" HA 56 0.338 1
78 1 13 1 "RMS(OBS, PRED)" N 54 2.879 1
79 1 14 1 "RMS(OBS, PRED)" C 54 1.073 1
80 1 14 1 "RMS(OBS, PRED)" CA 54 1.288 1
81 1 14 1 "RMS(OBS, PRED)" CB 52 1.058 1
82 1 14 1 "RMS(OBS, PRED)" H 54 0.520 1
83 1 14 1 "RMS(OBS, PRED)" HA 56 0.359 1
84 1 14 1 "RMS(OBS, PRED)" N 54 2.900 1
85 1 15 1 "RMS(OBS, PRED)" C 54 1.145 1
86 1 15 1 "RMS(OBS, PRED)" CA 54 1.254 1
87 1 15 1 "RMS(OBS, PRED)" CB 52 1.056 1
88 1 15 1 "RMS(OBS, PRED)" H 54 0.506 1
89 1 15 1 "RMS(OBS, PRED)" HA 56 0.310 1
90 1 15 1 "RMS(OBS, PRED)" N 54 3.129 1
91 1 16 1 "RMS(OBS, PRED)" C 54 1.019 1
92 1 16 1 "RMS(OBS, PRED)" CA 54 1.112 1
93 1 16 1 "RMS(OBS, PRED)" CB 52 1.197 1
94 1 16 1 "RMS(OBS, PRED)" H 54 0.571 1
95 1 16 1 "RMS(OBS, PRED)" HA 56 0.327 1
96 1 16 1 "RMS(OBS, PRED)" N 54 2.764 1
97 1 17 1 "RMS(OBS, PRED)" C 54 1.071 1
98 1 17 1 "RMS(OBS, PRED)" CA 54 1.360 1
99 1 17 1 "RMS(OBS, PRED)" CB 52 1.535 1
100 1 17 1 "RMS(OBS, PRED)" H 54 0.550 1
101 1 17 1 "RMS(OBS, PRED)" HA 56 0.324 1
102 1 17 1 "RMS(OBS, PRED)" N 54 3.202 1
103 1 18 1 "RMS(OBS, PRED)" C 54 1.216 1
104 1 18 1 "RMS(OBS, PRED)" CA 54 1.244 1
105 1 18 1 "RMS(OBS, PRED)" CB 52 1.341 1
106 1 18 1 "RMS(OBS, PRED)" H 54 0.550 1
107 1 18 1 "RMS(OBS, PRED)" HA 56 0.337 1
108 1 18 1 "RMS(OBS, PRED)" N 54 3.479 1
109 1 19 1 "RMS(OBS, PRED)" C 54 0.988 1
110 1 19 1 "RMS(OBS, PRED)" CA 54 1.237 1
111 1 19 1 "RMS(OBS, PRED)" CB 52 1.248 1
112 1 19 1 "RMS(OBS, PRED)" H 54 0.555 1
113 1 19 1 "RMS(OBS, PRED)" HA 56 0.347 1
114 1 19 1 "RMS(OBS, PRED)" N 54 2.852 1
115 1 20 1 "RMS(OBS, PRED)" C 54 0.897 1
116 1 20 1 "RMS(OBS, PRED)" CA 54 1.217 1
117 1 20 1 "RMS(OBS, PRED)" CB 52 1.164 1
118 1 20 1 "RMS(OBS, PRED)" H 54 0.495 1
119 1 20 1 "RMS(OBS, PRED)" HA 56 0.343 1
120 1 20 1 "RMS(OBS, PRED)" N 54 2.944 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 3 . 1 1 A 2 2 THR H H 2 8.109 8.235 -0.126 2
1 4 . 1 1 A 2 2 THR HA H 2 4.400 4.465 -0.065 2
1 9 . 1 1 A 2 2 THR C C 2 173.933 173.783 0.150 2
1 10 . 1 1 A 2 2 THR CA C 2 61.842 62.113 -0.271 2
1 11 . 1 1 A 2 2 THR CB C 2 69.793 69.238 0.555 2
1 13 . 1 1 A 2 2 THR N N 2 128.532 116.553 11.979 2
1 14 . 1 1 A 3 3 TYR H H 3 8.424 8.404 0.020 2
1 15 . 1 1 A 3 3 TYR HA H 3 4.434 4.770 -0.336 2
1 22 . 1 1 A 3 3 TYR C C 3 175.696 175.573 0.123 2
1 23 . 1 1 A 3 3 TYR CA C 3 58.210 58.405 -0.195 2
1 24 . 1 1 A 3 3 TYR CB C 3 38.473 39.935 -1.462 2
1 27 . 1 1 A 3 3 TYR N N 3 123.975 123.009 0.966 2
1 28 . 1 1 A 4 4 LYS H H 4 8.160 8.334 -0.174 2
1 29 . 1 1 A 4 4 LYS HA H 4 4.217 4.756 -0.539 2
1 36 . 1 1 A 4 4 LYS C C 4 175.989 175.526 0.463 2
1 37 . 1 1 A 4 4 LYS CA C 4 56.657 55.190 1.467 2
1 38 . 1 1 A 4 4 LYS CB C 4 32.834 34.267 -1.433 2
1 42 . 1 1 A 4 4 LYS N N 4 122.591 119.617 2.974 2
1 43 . 1 1 A 5 5 LEU H H 5 8.050 8.446 -0.396 2
1 44 . 1 1 A 5 5 LEU HA H 5 4.325 4.501 -0.176 2
1 50 . 1 1 A 5 5 LEU C C 5 177.233 175.259 1.974 2
1 51 . 1 1 A 5 5 LEU CA C 5 55.392 55.386 0.006 2
1 52 . 1 1 A 5 5 LEU CB C 5 41.995 43.162 -1.167 2
1 56 . 1 1 A 5 5 LEU N N 5 122.335 119.717 2.618 2
1 57 . 1 1 A 6 6 ILE H H 6 8.136 8.613 -0.477 2
1 58 . 1 1 A 6 6 ILE HA H 6 4.230 4.325 -0.095 2
1 68 . 1 1 A 6 6 ILE C C 6 176.253 175.452 0.801 2
1 69 . 1 1 A 6 6 ILE CA C 6 61.256 61.063 0.193 2
1 70 . 1 1 A 6 6 ILE CB C 6 38.070 37.877 0.193 2
1 74 . 1 1 A 6 6 ILE N N 6 122.472 124.114 -1.642 2
1 75 . 1 1 A 7 7 LEU H H 7 8.234 8.767 -0.533 2
1 76 . 1 1 A 7 7 LEU HA H 7 4.521 4.370 0.151 2
1 82 . 1 1 A 7 7 LEU C C 7 177.087 177.038 0.049 2
1 83 . 1 1 A 7 7 LEU CA C 7 55.268 56.455 -1.187 2
1 84 . 1 1 A 7 7 LEU CB C 7 42.738 42.925 -0.187 2
1 87 . 1 1 A 7 7 LEU N N 7 125.667 128.263 -2.596 2
1 88 . 1 1 A 8 8 ASN H H 8 8.195 8.089 0.106 2
1 89 . 1 1 A 8 8 ASN HA H 8 4.801 5.008 -0.207 2
1 94 . 1 1 A 8 8 ASN C C 8 175.345 175.576 -0.231 2
1 95 . 1 1 A 8 8 ASN CA C 8 52.541 53.156 -0.615 2
1 96 . 1 1 A 8 8 ASN CB C 8 38.782 40.143 -1.361 2
1 97 . 1 1 A 8 8 ASN N N 8 118.150 115.654 2.496 2
1 99 . 1 1 A 9 9 LEU H H 9 8.434 8.347 0.087 2
1 100 . 1 1 A 9 9 LEU HA H 9 3.974 4.153 -0.179 2
1 109 . 1 1 A 9 9 LEU C C 9 177.160 178.830 -1.670 2
1 110 . 1 1 A 9 9 LEU CA C 9 58.418 56.874 1.544 2
1 111 . 1 1 A 9 9 LEU CB C 9 42.073 41.875 0.198 2
1 114 . 1 1 A 9 9 LEU N N 9 121.944 122.910 -0.966 2
1 115 . 1 1 A 10 10 LYS H H 10 8.115 8.220 -0.105 2
1 116 . 1 1 A 10 10 LYS HA H 10 3.964 3.895 0.069 2
1 121 . 1 1 A 10 10 LYS C C 10 178.535 178.688 -0.153 2
1 122 . 1 1 A 10 10 LYS CA C 10 60.121 60.228 -0.107 2
1 123 . 1 1 A 10 10 LYS CB C 10 32.108 32.094 0.014 2
1 126 . 1 1 A 10 10 LYS N N 10 118.923 118.520 0.403 2
1 127 . 1 1 A 11 11 GLN H H 11 7.647 8.087 -0.440 2
1 128 . 1 1 A 11 11 GLN HA H 11 4.198 4.095 0.103 2
1 135 . 1 1 A 11 11 GLN C C 11 179.267 177.871 1.396 2
1 136 . 1 1 A 11 11 GLN CA C 11 59.331 58.769 0.562 2
1 137 . 1 1 A 11 11 GLN CB C 11 29.621 28.818 0.803 2
1 139 . 1 1 A 11 11 GLN N N 11 117.482 119.210 -1.728 2
1 141 . 1 1 A 12 12 ALA H H 12 8.431 7.950 0.481 2
1 142 . 1 1 A 12 12 ALA HA H 12 4.200 2.721 1.479 2
1 146 . 1 1 A 12 12 ALA C C 12 179.809 179.051 0.758 2
1 147 . 1 1 A 12 12 ALA CA C 12 55.484 54.676 0.808 2
1 148 . 1 1 A 12 12 ALA CB C 12 18.673 17.642 1.031 2
1 149 . 1 1 A 12 12 ALA N N 12 122.387 121.740 0.647 2
1 150 . 1 1 A 13 13 LYS H H 13 8.361 8.743 -0.382 2
1 151 . 1 1 A 13 13 LYS HA H 13 3.671 3.851 -0.180 2
1 158 . 1 1 A 13 13 LYS C C 13 177.701 179.119 -1.418 2
1 159 . 1 1 A 13 13 LYS CA C 13 60.773 59.463 1.310 2
1 160 . 1 1 A 13 13 LYS CB C 13 33.191 32.318 0.873 2
1 163 . 1 1 A 13 13 LYS N N 13 116.790 117.137 -0.347 2
1 164 . 1 1 A 14 14 GLU H H 14 7.953 8.268 -0.315 2
1 165 . 1 1 A 14 14 GLU HA H 14 3.979 3.986 -0.006 2
1 170 . 1 1 A 14 14 GLU C C 14 178.067 179.181 -1.114 2
1 171 . 1 1 A 14 14 GLU CA C 14 59.824 59.417 0.407 2
1 172 . 1 1 A 14 14 GLU CB C 14 29.389 29.194 0.195 2
1 174 . 1 1 A 14 14 GLU N N 14 116.988 119.235 -2.247 2
1 175 . 1 1 A 15 15 GLU H H 15 8.442 7.837 0.605 2
1 176 . 1 1 A 15 15 GLU HA H 15 4.053 4.042 0.011 2
1 179 . 1 1 A 15 15 GLU C C 15 178.374 178.899 -0.525 2
1 180 . 1 1 A 15 15 GLU CA C 15 58.307 58.964 -0.657 2
1 181 . 1 1 A 15 15 GLU CB C 15 29.030 29.033 -0.003 2
1 183 . 1 1 A 15 15 GLU N N 15 115.659 119.898 -4.239 2
1 184 . 1 1 A 16 16 ALA H H 16 8.555 8.215 0.340 2
1 185 . 1 1 A 16 16 ALA HA H 16 4.199 4.006 0.193 2
1 189 . 1 1 A 16 16 ALA C C 16 179.399 179.890 -0.491 2
1 190 . 1 1 A 16 16 ALA CA C 16 55.233 55.145 0.088 2
1 191 . 1 1 A 16 16 ALA CB C 16 17.853 18.234 -0.381 2
1 192 . 1 1 A 16 16 ALA N N 16 122.104 122.423 -0.319 2
1 193 . 1 1 A 17 17 ILE H H 17 8.719 7.619 1.100 2
1 194 . 1 1 A 17 17 ILE HA H 17 3.593 3.815 -0.222 2
1 201 . 1 1 A 17 17 ILE C C 17 177.131 177.675 -0.544 2
1 202 . 1 1 A 17 17 ILE CA C 17 66.796 64.488 2.308 2
1 203 . 1 1 A 17 17 ILE CB C 17 37.700 37.679 0.021 2
1 205 . 1 1 A 17 17 ILE N N 17 117.581 118.705 -1.124 2
1 206 . 1 1 A 18 18 LYS H H 18 7.795 7.990 -0.195 2
1 207 . 1 1 A 18 18 LYS HA H 18 4.025 3.942 0.083 2
1 214 . 1 1 A 18 18 LYS C C 18 179.340 178.889 0.451 2
1 215 . 1 1 A 18 18 LYS CA C 18 59.829 59.701 0.128 2
1 216 . 1 1 A 18 18 LYS CB C 18 32.079 32.274 -0.195 2
1 220 . 1 1 A 18 18 LYS N N 18 119.291 121.114 -1.823 2
1 221 . 1 1 A 19 19 GLU H H 19 8.331 8.619 -0.288 2
1 222 . 1 1 A 19 19 GLU HA H 19 4.197 4.063 0.134 2
1 227 . 1 1 A 19 19 GLU C C 19 179.926 179.495 0.431 2
1 228 . 1 1 A 19 19 GLU CA C 19 58.483 59.070 -0.587 2
1 229 . 1 1 A 19 19 GLU CB C 19 28.508 29.405 -0.897 2
1 231 . 1 1 A 19 19 GLU N N 19 118.386 118.935 -0.549 2
1 232 . 1 1 A 20 20 LEU H H 20 8.270 7.706 0.564 2
1 233 . 1 1 A 20 20 LEU HA H 20 4.198 4.089 0.109 2
1 240 . 1 1 A 20 20 LEU C C 20 180.511 178.986 1.525 2
1 241 . 1 1 A 20 20 LEU CA C 20 57.429 58.027 -0.598 2
1 242 . 1 1 A 20 20 LEU CB C 20 40.978 41.579 -0.601 2
1 243 . 1 1 A 20 20 LEU N N 20 119.581 121.295 -1.714 2
1 244 . 1 1 A 21 21 VAL H H 21 9.479 8.628 0.851 2
1 245 . 1 1 A 21 21 VAL HA H 21 3.991 3.565 0.426 2
1 250 . 1 1 A 21 21 VAL C C 21 180.906 177.960 2.946 2
1 251 . 1 1 A 21 21 VAL CA C 21 66.562 67.000 -0.438 2
1 252 . 1 1 A 21 21 VAL CB C 21 31.435 31.401 0.034 2
1 254 . 1 1 A 21 21 VAL N N 21 125.030 119.289 5.741 2
1 255 . 1 1 A 22 22 ASP H H 22 8.401 8.619 -0.218 2
1 256 . 1 1 A 22 22 ASP HA H 22 4.541 4.463 0.078 2
1 259 . 1 1 A 22 22 ASP C C 22 177.204 176.795 0.409 2
1 260 . 1 1 A 22 22 ASP CA C 22 57.019 56.309 0.710 2
1 261 . 1 1 A 22 22 ASP CB C 22 39.983 40.960 -0.977 2
1 262 . 1 1 A 22 22 ASP N N 22 122.749 120.777 1.972 2
1 263 . 1 1 A 23 23 ALA H H 23 7.485 7.940 -0.455 2
1 264 . 1 1 A 23 23 ALA HA H 23 4.522 4.513 0.009 2
1 268 . 1 1 A 23 23 ALA C C 23 177.965 177.757 0.208 2
1 269 . 1 1 A 23 23 ALA CA C 23 52.130 53.131 -1.001 2
1 270 . 1 1 A 23 23 ALA CB C 23 18.673 20.804 -2.131 2
1 271 . 1 1 A 23 23 ALA N N 23 119.207 119.677 -0.470 2
1 272 . 1 1 A 24 24 GLY H H 24 8.150 7.887 0.263 2
1 273 . 1 1 A 24 24 GLY HA2 H 24 4.183 4.036 0.147 2
1 274 . 1 1 A 24 24 GLY HA3 H 24 4.026 4.038 -0.012 2
1 275 . 1 1 A 24 24 GLY C C 24 174.731 173.757 0.974 2
1 276 . 1 1 A 24 24 GLY CA C 24 45.916 45.785 0.131 2
1 277 . 1 1 A 24 24 GLY N N 24 108.009 104.716 3.293 2
1 278 . 1 1 A 25 25 THR H H 25 7.786 8.191 -0.405 2
1 279 . 1 1 A 25 25 THR HA H 25 4.151 4.504 -0.353 2
1 284 . 1 1 A 25 25 THR C C 25 173.194 173.398 -0.204 2
1 285 . 1 1 A 25 25 THR CA C 25 63.840 61.749 2.091 2
1 286 . 1 1 A 25 25 THR CB C 25 69.255 69.664 -0.409 2
1 288 . 1 1 A 25 25 THR N N 25 117.202 116.122 1.080 2
1 289 . 1 1 A 26 26 ALA H H 26 8.978 8.368 0.610 2
1 290 . 1 1 A 26 26 ALA HA H 26 4.391 4.294 0.097 2
1 294 . 1 1 A 26 26 ALA C C 26 178.935 178.402 0.533 2
1 295 . 1 1 A 26 26 ALA CA C 26 53.038 51.917 1.121 2
1 296 . 1 1 A 26 26 ALA CB C 26 18.566 18.677 -0.111 2
1 297 . 1 1 A 26 26 ALA N N 26 128.127 127.047 1.080 2
1 298 . 1 1 A 27 27 GLU H H 27 8.803 8.632 0.171 2
1 299 . 1 1 A 27 27 GLU HA H 27 3.966 4.083 -0.117 2
1 304 . 1 1 A 27 27 GLU C C 27 179.999 178.523 1.476 2
1 305 . 1 1 A 27 27 GLU CA C 27 59.465 59.187 0.278 2
1 306 . 1 1 A 27 27 GLU CB C 27 29.211 29.046 0.165 2
1 308 . 1 1 A 27 27 GLU N N 27 123.075 124.753 -1.678 2
1 309 . 1 1 A 28 28 LYS H H 28 8.455 8.219 0.236 2
1 310 . 1 1 A 28 28 LYS HA H 28 4.048 4.053 -0.005 2
1 315 . 1 1 A 28 28 LYS C C 28 177.394 178.772 -1.378 2
1 316 . 1 1 A 28 28 LYS CA C 28 58.951 58.931 0.020 2
1 317 . 1 1 A 28 28 LYS CB C 28 29.504 32.196 -2.692 2
1 320 . 1 1 A 28 28 LYS N N 28 119.368 119.783 -0.415 2
1 321 . 1 1 A 29 29 TYR H H 29 7.349 8.221 -0.872 2
1 322 . 1 1 A 29 29 TYR HA H 29 4.768 4.219 0.549 2
1 329 . 1 1 A 29 29 TYR C C 29 177.496 177.986 -0.490 2
1 330 . 1 1 A 29 29 TYR CA C 29 58.599 61.188 -2.589 2
1 331 . 1 1 A 29 29 TYR CB C 29 38.229 38.605 -0.376 2
1 336 . 1 1 A 29 29 TYR N N 29 117.039 120.321 -3.282 2
1 337 . 1 1 A 30 30 ILE H H 30 7.535 8.510 -0.975 2
1 338 . 1 1 A 30 30 ILE HA H 30 3.638 3.783 -0.145 2
1 348 . 1 1 A 30 30 ILE C C 30 178.462 178.016 0.446 2
1 349 . 1 1 A 30 30 ILE CA C 30 65.156 64.189 0.967 2
1 350 . 1 1 A 30 30 ILE CB C 30 36.867 37.372 -0.505 2
1 353 . 1 1 A 30 30 ILE N N 30 120.828 120.351 0.477 2
1 354 . 1 1 A 31 31 LYS H H 31 7.862 7.924 -0.062 2
1 355 . 1 1 A 31 31 LYS HA H 31 4.053 4.055 -0.002 2
1 360 . 1 1 A 31 31 LYS C C 31 178.243 178.760 -0.517 2
1 361 . 1 1 A 31 31 LYS CA C 31 58.796 58.934 -0.138 2
1 362 . 1 1 A 31 31 LYS CB C 31 31.723 31.969 -0.246 2
1 365 . 1 1 A 31 31 LYS N N 31 116.578 121.647 -5.069 2
1 366 . 1 1 A 32 32 LEU H H 32 7.353 7.777 -0.424 2
1 367 . 1 1 A 32 32 LEU HA H 32 4.128 4.096 0.032 2
1 373 . 1 1 A 32 32 LEU C C 32 180.028 178.926 1.102 2
1 374 . 1 1 A 32 32 LEU CA C 32 57.809 57.626 0.183 2
1 375 . 1 1 A 32 32 LEU CB C 32 41.196 41.749 -0.553 2
1 378 . 1 1 A 32 32 LEU N N 32 117.030 120.237 -3.208 2
1 379 . 1 1 A 33 33 ILE H H 33 7.494 7.804 -0.310 2
1 380 . 1 1 A 33 33 ILE HA H 33 3.760 3.961 -0.201 2
1 387 . 1 1 A 33 33 ILE C C 33 178.477 177.877 0.600 2
1 388 . 1 1 A 33 33 ILE CA C 33 62.407 63.733 -1.326 2
1 389 . 1 1 A 33 33 ILE CB C 33 35.407 37.335 -1.928 2
1 391 . 1 1 A 33 33 ILE N N 33 118.141 115.310 2.831 2
1 392 . 1 1 A 34 34 ALA H H 34 7.777 7.617 0.160 2
1 393 . 1 1 A 34 34 ALA HA H 34 4.031 3.992 0.039 2
1 397 . 1 1 A 34 34 ALA C C 34 178.857 178.756 0.101 2
1 398 . 1 1 A 34 34 ALA CA C 34 54.662 54.889 -0.227 2
1 399 . 1 1 A 34 34 ALA CB C 34 18.492 18.652 -0.160 2
1 400 . 1 1 A 34 34 ALA N N 34 119.230 124.036 -4.806 2
1 401 . 1 1 A 35 35 ASN H H 35 7.418 7.712 -0.294 2
1 402 . 1 1 A 35 35 ASN HA H 35 4.863 4.783 0.080 2
1 407 . 1 1 A 35 35 ASN C C 35 175.345 175.698 -0.353 2
1 408 . 1 1 A 35 35 ASN CA C 35 52.686 53.273 -0.587 2
1 409 . 1 1 A 35 35 ASN CB C 35 39.075 39.234 -0.159 2
1 410 . 1 1 A 35 35 ASN N N 35 113.022 114.817 -1.795 2
1 412 . 1 1 A 36 36 ALA H H 36 7.529 7.978 -0.449 2
1 413 . 1 1 A 36 36 ALA HA H 36 4.329 4.030 0.299 2
1 417 . 1 1 A 36 36 ALA C C 36 177.862 177.678 0.184 2
1 418 . 1 1 A 36 36 ALA CA C 36 53.389 54.230 -0.841 2
1 419 . 1 1 A 36 36 ALA CB C 36 19.141 18.839 0.302 2
1 420 . 1 1 A 36 36 ALA N N 36 124.061 122.278 1.783 2
1 421 . 1 1 A 37 37 LYS H H 37 8.891 8.344 0.548 2
1 422 . 1 1 A 37 37 LYS HA H 37 4.450 4.284 0.166 2
1 427 . 1 1 A 37 37 LYS C C 37 176.758 175.776 0.982 2
1 428 . 1 1 A 37 37 LYS CA C 37 56.476 57.701 -1.225 2
1 429 . 1 1 A 37 37 LYS CB C 37 34.789 32.959 1.830 2
1 433 . 1 1 A 37 37 LYS N N 37 117.071 118.486 -1.415 2
1 434 . 1 1 A 38 38 THR H H 38 7.406 7.990 -0.584 2
1 435 . 1 1 A 38 38 THR HA H 38 4.704 4.578 0.126 2
1 440 . 1 1 A 38 38 THR C C 38 173.984 175.310 -1.326 2
1 441 . 1 1 A 38 38 THR CA C 38 58.248 60.802 -2.554 2
1 442 . 1 1 A 38 38 THR CB C 38 72.884 71.025 1.859 2
1 444 . 1 1 A 38 38 THR N N 38 106.340 111.123 -4.783 2
1 445 . 1 1 A 39 39 VAL H H 39 8.967 8.934 0.033 2
1 446 . 1 1 A 39 39 VAL HA H 39 3.208 3.765 -0.557 2
1 451 . 1 1 A 39 39 VAL C C 39 176.735 177.829 -1.094 2
1 452 . 1 1 A 39 39 VAL CA C 39 67.315 66.232 1.083 2
1 453 . 1 1 A 39 39 VAL CB C 39 30.909 31.879 -0.970 2
1 455 . 1 1 A 39 39 VAL N N 39 122.904 122.668 0.236 2
1 456 . 1 1 A 40 40 GLU H H 40 8.900 8.518 0.382 2
1 457 . 1 1 A 40 40 GLU HA H 40 4.076 4.186 -0.110 2
1 462 . 1 1 A 40 40 GLU C C 40 179.355 179.483 -0.128 2
1 463 . 1 1 A 40 40 GLU CA C 40 60.061 59.558 0.503 2
1 464 . 1 1 A 40 40 GLU CB C 40 28.401 29.157 -0.756 2
1 466 . 1 1 A 40 40 GLU N N 40 118.190 121.342 -3.152 2
1 467 . 1 1 A 41 41 GLY H H 41 8.199 8.320 -0.121 2
1 468 . 1 1 A 41 41 GLY HA2 H 41 4.039 3.732 0.307 2
1 469 . 1 1 A 41 41 GLY HA3 H 41 3.919 3.744 0.175 2
1 470 . 1 1 A 41 41 GLY C C 41 176.267 176.649 -0.382 2
1 471 . 1 1 A 41 41 GLY CA C 41 46.167 47.134 -0.967 2
1 472 . 1 1 A 41 41 GLY N N 41 108.663 108.395 0.268 2
1 473 . 1 1 A 42 42 VAL H H 42 7.662 7.663 -0.001 2
1 474 . 1 1 A 42 42 VAL HA H 42 3.182 3.741 -0.559 2
1 479 . 1 1 A 42 42 VAL C C 42 177.014 178.350 -1.336 2
1 480 . 1 1 A 42 42 VAL CA C 42 67.030 65.651 1.379 2
1 481 . 1 1 A 42 42 VAL CB C 42 30.616 31.584 -0.968 2
1 483 . 1 1 A 42 42 VAL N N 42 123.036 121.173 1.863 2
1 484 . 1 1 A 43 43 TRP H H 43 7.726 8.054 -0.328 2
1 485 . 1 1 A 43 43 TRP HA H 43 4.640 4.374 0.266 2
1 494 . 1 1 A 43 43 TRP C C 43 179.135 179.082 0.053 2
1 495 . 1 1 A 43 43 TRP CA C 43 59.208 60.049 -0.841 2
1 496 . 1 1 A 43 43 TRP CB C 43 29.033 29.043 -0.010 2
1 502 . 1 1 A 43 43 TRP N N 43 118.730 119.996 -1.266 2
1 504 . 1 1 A 44 44 THR H H 44 8.545 8.194 0.351 2
1 505 . 1 1 A 44 44 THR HA H 44 4.223 4.142 0.081 2
1 510 . 1 1 A 44 44 THR C C 44 177.189 176.628 0.561 2
1 511 . 1 1 A 44 44 THR CA C 44 66.351 66.411 -0.060 2
1 512 . 1 1 A 44 44 THR CB C 44 68.921 68.480 0.441 2
1 514 . 1 1 A 44 44 THR N N 44 115.228 115.751 -0.523 2
1 515 . 1 1 A 45 45 LEU H H 45 7.961 8.061 -0.100 2
1 516 . 1 1 A 45 45 LEU HA H 45 4.299 3.942 0.357 2
1 523 . 1 1 A 45 45 LEU C C 45 178.301 179.115 -0.814 2
1 524 . 1 1 A 45 45 LEU CA C 45 57.759 58.318 -0.559 2
1 525 . 1 1 A 45 45 LEU CB C 45 42.462 41.812 0.650 2
1 527 . 1 1 A 45 45 LEU N N 45 123.256 121.521 1.735 2
1 528 . 1 1 A 46 46 LYS H H 46 8.645 7.968 0.677 2
1 529 . 1 1 A 46 46 LYS HA H 46 3.850 3.983 -0.133 2
1 536 . 1 1 A 46 46 LYS C C 46 177.716 178.412 -0.696 2
1 537 . 1 1 A 46 46 LYS CA C 46 60.731 59.053 1.677 2
1 538 . 1 1 A 46 46 LYS CB C 46 30.700 32.171 -1.471 2
1 540 . 1 1 A 46 46 LYS N N 46 119.178 118.024 1.154 2
1 541 . 1 1 A 47 47 ASP H H 47 7.711 8.108 -0.397 2
1 542 . 1 1 A 47 47 ASP HA H 47 4.539 4.405 0.134 2
1 545 . 1 1 A 47 47 ASP C C 47 178.755 178.737 0.018 2
1 546 . 1 1 A 47 47 ASP CA C 47 57.095 56.960 0.135 2
1 547 . 1 1 A 47 47 ASP CB C 47 40.138 40.808 -0.670 2
1 548 . 1 1 A 47 47 ASP N N 47 117.538 119.831 -2.293 2
1 549 . 1 1 A 48 48 GLU H H 48 7.951 8.560 -0.609 2
1 550 . 1 1 A 48 48 GLU HA H 48 3.989 4.086 -0.097 2
1 555 . 1 1 A 48 48 GLU C C 48 179.165 179.287 -0.122 2
1 556 . 1 1 A 48 48 GLU CA C 48 59.143 58.930 0.213 2
1 557 . 1 1 A 48 48 GLU CB C 48 29.783 29.263 0.520 2
1 559 . 1 1 A 48 48 GLU N N 48 121.677 119.111 2.567 2
1 560 . 1 1 A 49 49 ILE H H 49 8.602 7.528 1.074 2
1 561 . 1 1 A 49 49 ILE HA H 49 3.834 3.702 0.132 2
1 568 . 1 1 A 49 49 ILE C C 49 177.379 178.334 -0.955 2
1 569 . 1 1 A 49 49 ILE CA C 49 64.044 64.854 -0.810 2
1 570 . 1 1 A 49 49 ILE CB C 49 37.896 36.876 1.020 2
1 572 . 1 1 A 49 49 ILE N N 49 120.326 120.826 -0.500 2
1 573 . 1 1 A 50 50 LYS H H 50 7.785 7.662 0.123 2
1 574 . 1 1 A 50 50 LYS HA H 50 4.057 4.077 -0.020 2
1 583 . 1 1 A 50 50 LYS C C 50 177.848 178.794 -0.946 2
1 584 . 1 1 A 50 50 LYS CA C 50 59.629 59.167 0.462 2
1 585 . 1 1 A 50 50 LYS CB C 50 32.026 32.114 -0.088 2
1 587 . 1 1 A 50 50 LYS N N 50 119.242 120.080 -0.838 2
1 588 . 1 1 A 51 51 THR H H 51 7.609 7.686 -0.077 2
1 589 . 1 1 A 51 51 THR HA H 51 4.344 4.285 0.059 2
1 594 . 1 1 A 51 51 THR C C 51 175.360 175.056 0.304 2
1 595 . 1 1 A 51 51 THR CA C 51 63.224 64.184 -0.960 2
1 596 . 1 1 A 51 51 THR CB C 51 69.781 69.592 0.189 2
1 598 . 1 1 A 51 51 THR N N 51 109.871 112.278 -2.407 2
1 599 . 1 1 A 52 52 PHE H H 52 7.645 7.943 -0.298 2
1 600 . 1 1 A 52 52 PHE HA H 52 4.810 4.490 0.320 2
1 607 . 1 1 A 52 52 PHE C C 52 176.750 174.901 1.849 2
1 608 . 1 1 A 52 52 PHE CA C 52 56.960 58.299 -1.339 2
1 609 . 1 1 A 52 52 PHE CB C 52 37.622 38.694 -1.072 2
1 614 . 1 1 A 52 52 PHE N N 52 120.960 120.289 0.671 2
1 615 . 1 1 A 53 53 THR H H 53 8.124 7.806 0.318 2
1 616 . 1 1 A 53 53 THR HA H 53 4.472 4.388 0.084 2
1 621 . 1 1 A 53 53 THR C C 53 174.394 173.723 0.671 2
1 622 . 1 1 A 53 53 THR CA C 53 62.464 62.046 0.418 2
1 623 . 1 1 A 53 53 THR CB C 53 70.045 69.324 0.721 2
1 625 . 1 1 A 53 53 THR N N 53 113.896 112.471 1.425 2
1 626 . 1 1 A 54 54 VAL H H 54 8.114 8.299 -0.185 2
1 627 . 1 1 A 54 54 VAL HA H 54 4.346 4.335 0.011 2
1 632 . 1 1 A 54 54 VAL C C 54 176.209 175.405 0.804 2
1 633 . 1 1 A 54 54 VAL CA C 54 62.128 61.594 0.534 2
1 634 . 1 1 A 54 54 VAL CB C 54 32.694 32.863 -0.169 2
1 636 . 1 1 A 54 54 VAL N N 54 122.467 121.703 0.764 2
1 637 . 1 1 A 55 55 THR H H 55 8.362 8.259 0.103 2
1 638 . 1 1 A 55 55 THR HA H 55 4.409 4.454 -0.045 2
1 643 . 1 1 A 55 55 THR C C 55 173.648 174.108 -0.460 2
1 644 . 1 1 A 55 55 THR CA C 55 61.875 62.120 -0.245 2
1 645 . 1 1 A 55 55 THR CB C 55 69.860 69.243 0.617 2
1 647 . 1 1 A 55 55 THR N N 55 118.624 117.119 1.505 2
stop_
save_