data_15324_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15324
_Entry.PDB_ID 2JRA
_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 7 . 1 1 1 A 2 2 MET H H 2 8.334 9.017 -0.683 1
1 8 . 1 1 1 A 2 2 MET HA H 2 4.432 4.367 0.065 1
1 16 . 1 1 1 A 2 2 MET C C 2 176.391 175.760 0.631 1
1 17 . 1 1 1 A 2 2 MET CA C 2 55.880 56.668 -0.788 1
1 18 . 1 1 1 A 2 2 MET CB C 2 32.400 33.176 -0.776 1
1 21 . 1 1 1 A 2 2 MET N N 2 121.118 128.492 -7.374 1
1 22 . 1 1 1 A 3 3 THR H H 3 8.177 8.784 -0.607 1
1 23 . 1 1 1 A 3 3 THR HA H 3 4.338 5.343 -1.005 1
1 28 . 1 1 1 A 3 3 THR C C 3 174.455 173.566 0.889 1
1 29 . 1 1 1 A 3 3 THR CA C 3 61.410 60.779 0.631 1
1 30 . 1 1 1 A 3 3 THR CB C 3 69.710 70.519 -0.809 1
1 32 . 1 1 1 A 3 3 THR N N 3 115.029 116.786 -1.757 1
1 33 . 1 1 1 A 4 4 ALA H H 4 8.429 8.793 -0.364 1
1 34 . 1 1 1 A 4 4 ALA HA H 4 4.303 4.921 -0.618 1
1 38 . 1 1 1 A 4 4 ALA C C 4 178.127 175.633 2.494 1
1 39 . 1 1 1 A 4 4 ALA CA C 4 52.580 51.956 0.624 1
1 40 . 1 1 1 A 4 4 ALA CB C 4 19.370 20.070 -0.700 1
1 41 . 1 1 1 A 4 4 ALA N N 4 126.222 126.183 0.039 1
1 42 . 1 1 1 A 5 5 SER H H 5 8.257 8.810 -0.553 1
1 43 . 1 1 1 A 5 5 SER HA H 5 4.352 4.973 -0.621 1
1 46 . 1 1 1 A 5 5 SER C C 5 174.687 173.706 0.981 1
1 47 . 1 1 1 A 5 5 SER CA C 5 58.790 58.361 0.429 1
1 48 . 1 1 1 A 5 5 SER CB C 5 63.720 63.803 -0.083 1
1 49 . 1 1 1 A 5 5 SER N N 5 114.762 119.868 -5.106 1
1 50 . 1 1 1 A 6 6 ASP H H 6 8.186 8.713 -0.527 1
1 51 . 1 1 1 A 6 6 ASP HA H 6 4.547 4.573 -0.026 1
1 54 . 1 1 1 A 6 6 ASP C C 6 176.423 176.678 -0.255 1
1 55 . 1 1 1 A 6 6 ASP CA C 6 54.760 54.315 0.445 1
1 56 . 1 1 1 A 6 6 ASP CB C 6 41.110 41.364 -0.254 1
1 57 . 1 1 1 A 6 6 ASP N N 6 122.104 126.455 -4.351 1
1 58 . 1 1 1 A 7 7 ARG H H 7 8.063 8.535 -0.472 1
1 59 . 1 1 1 A 7 7 ARG HA H 7 4.276 4.685 -0.409 1
1 66 . 1 1 1 A 7 7 ARG C C 7 176.455 175.617 0.838 1
1 67 . 1 1 1 A 7 7 ARG CA C 7 56.310 55.433 0.877 1
1 68 . 1 1 1 A 7 7 ARG CB C 7 30.470 31.418 -0.948 1
1 71 . 1 1 1 A 7 7 ARG N N 7 120.343 121.790 -1.447 1
1 72 . 1 1 1 A 8 8 LEU H H 8 8.157 7.165 0.992 1
1 73 . 1 1 1 A 8 8 LEU HA H 8 4.288 4.498 -0.210 1
1 83 . 1 1 1 A 8 8 LEU C C 8 177.940 176.961 0.979 1
1 84 . 1 1 1 A 8 8 LEU CA C 8 55.630 54.243 1.387 1
1 85 . 1 1 1 A 8 8 LEU CB C 8 42.540 40.757 1.783 1
1 89 . 1 1 1 A 8 8 LEU N N 8 122.546 122.053 0.493 1
1 90 . 1 1 1 A 9 9 GLY H H 9 8.290 8.424 -0.134 1
1 91 . 1 1 1 A 9 9 GLY HA2 H 9 3.896 4.190 -0.294 1
1 92 . 1 1 1 A 9 9 GLY HA3 H 9 3.896 4.190 -0.294 1
1 93 . 1 1 1 A 9 9 GLY C C 9 173.664 173.632 0.032 1
1 94 . 1 1 1 A 9 9 GLY CA C 9 45.320 45.705 -0.385 1
1 95 . 1 1 1 A 9 9 GLY N N 9 109.549 112.721 -3.172 1
1 96 . 1 1 1 A 10 10 ALA H H 10 7.980 7.703 0.277 1
1 97 . 1 1 1 A 10 10 ALA HA H 10 4.276 4.272 0.004 1
1 101 . 1 1 1 A 10 10 ALA C C 10 177.182 176.254 0.928 1
1 102 . 1 1 1 A 10 10 ALA CA C 10 52.130 51.625 0.505 1
1 103 . 1 1 1 A 10 10 ALA CB C 10 19.460 18.547 0.913 1
1 104 . 1 1 1 A 10 10 ALA N N 10 123.266 122.952 0.314 1
1 105 . 1 1 1 A 11 11 ASP H H 11 8.292 8.443 -0.151 1
1 106 . 1 1 1 A 11 11 ASP HA H 11 4.840 4.759 0.081 1
1 109 . 1 1 1 A 11 11 ASP CA C 11 51.950 51.520 0.430 1
1 110 . 1 1 1 A 11 11 ASP CB C 11 41.320 42.085 -0.765 1
1 111 . 1 1 1 A 11 11 ASP N N 11 120.930 124.458 -3.528 1
1 112 . 1 1 1 A 12 12 PRO HA H 12 4.450 4.614 -0.164 1
1 119 . 1 1 1 A 12 12 PRO C C 12 177.670 176.339 1.331 1
1 120 . 1 1 1 A 12 12 PRO CA C 12 63.940 62.513 1.427 1
1 121 . 1 1 1 A 12 12 PRO CB C 12 32.180 29.024 3.156 1
1 124 . 1 1 1 A 13 13 THR H H 13 8.304 8.329 -0.025 1
1 125 . 1 1 1 A 13 13 THR HA H 13 4.234 4.023 0.211 1
1 130 . 1 1 1 A 13 13 THR C C 13 175.085 175.246 -0.161 1
1 131 . 1 1 1 A 13 13 THR CA C 13 62.770 64.946 -2.176 1
1 132 . 1 1 1 A 13 13 THR CB C 13 69.509 68.703 0.806 1
1 134 . 1 1 1 A 13 13 THR N N 13 112.749 118.468 -5.719 1
1 135 . 1 1 1 A 14 14 GLN H H 14 7.963 7.634 0.329 1
1 136 . 1 1 1 A 14 14 GLN HA H 14 4.282 4.357 -0.075 1
1 141 . 1 1 1 A 14 14 GLN C C 14 175.773 174.973 0.800 1
1 142 . 1 1 1 A 14 14 GLN CA C 14 55.770 55.813 -0.043 1
1 143 . 1 1 1 A 14 14 GLN CB C 14 29.440 29.404 0.036 1
1 145 . 1 1 1 A 14 14 GLN N N 14 121.849 120.256 1.593 1
1 146 . 1 1 1 A 15 15 ALA H H 15 8.150 8.580 -0.430 1
1 147 . 1 1 1 A 15 15 ALA HA H 15 4.237 4.776 -0.539 1
1 151 . 1 1 1 A 15 15 ALA C C 15 177.587 177.071 0.516 1
1 152 . 1 1 1 A 15 15 ALA CA C 15 52.750 51.053 1.697 1
1 153 . 1 1 1 A 15 15 ALA CB C 15 19.180 21.932 -2.752 1
1 154 . 1 1 1 A 15 15 ALA N N 15 125.125 128.579 -3.454 1
1 155 . 1 1 1 A 16 16 ALA H H 16 8.234 9.177 -0.943 1
1 156 . 1 1 1 A 16 16 ALA HA H 16 4.291 3.887 0.404 1
1 160 . 1 1 1 A 16 16 ALA C C 16 177.741 177.107 0.634 1
1 161 . 1 1 1 A 16 16 ALA CA C 16 52.410 54.703 -2.293 1
1 162 . 1 1 1 A 16 16 ALA CB C 16 19.130 18.083 1.047 1
1 163 . 1 1 1 A 16 16 ALA N N 16 123.189 124.900 -1.711 1
1 164 . 1 1 1 A 17 17 SER H H 17 8.162 8.186 -0.024 1
1 165 . 1 1 1 A 17 17 SER HA H 17 4.431 4.254 0.177 1
1 168 . 1 1 1 A 17 17 SER CA C 17 58.160 59.819 -1.659 1
1 169 . 1 1 1 A 17 17 SER CB C 17 64.030 61.652 2.378 1
1 170 . 1 1 1 A 17 17 SER N N 17 114.762 111.462 3.300 1
1 171 . 1 1 1 A 18 18 SER H H 18 8.246 7.794 0.452 1
1 172 . 1 1 1 A 18 18 SER HA H 18 4.747 4.938 -0.191 1
1 173 . 1 1 1 A 18 18 SER CA C 18 58.640 55.499 3.141 1
1 174 . 1 1 1 A 18 18 SER N N 18 118.482 115.648 2.834 1
1 175 . 1 1 1 A 19 19 PRO HA H 19 4.426 4.653 -0.227 1
1 182 . 1 1 1 A 19 19 PRO CA C 19 63.790 62.441 1.349 1
1 183 . 1 1 1 A 19 19 PRO CB C 19 32.220 32.764 -0.544 1
1 186 . 1 1 1 A 20 20 GLY H H 20 8.452 8.476 -0.024 1
1 187 . 1 1 1 A 20 20 GLY HA2 H 20 3.938 4.245 -0.307 1
1 188 . 1 1 1 A 20 20 GLY HA3 H 20 3.938 4.246 -0.308 1
1 189 . 1 1 1 A 20 20 GLY C C 20 174.674 176.008 -1.334 1
1 190 . 1 1 1 A 20 20 GLY CA C 20 45.330 45.742 -0.412 1
1 191 . 1 1 1 A 20 20 GLY N N 20 109.329 108.690 0.639 1
1 192 . 1 1 1 A 21 21 GLY H H 21 8.217 8.536 -0.319 1
1 193 . 1 1 1 A 21 21 GLY HA2 H 21 3.946 3.837 0.109 1
1 194 . 1 1 1 A 21 21 GLY HA3 H 21 3.946 3.837 0.109 1
1 195 . 1 1 1 A 21 21 GLY C C 21 173.555 174.531 -0.976 1
1 196 . 1 1 1 A 21 21 GLY CA C 21 45.390 47.156 -1.766 1
1 197 . 1 1 1 A 21 21 GLY N N 21 108.749 108.753 -0.004 1
1 198 . 1 1 1 A 22 22 ALA H H 22 8.147 7.673 0.474 1
1 199 . 1 1 1 A 22 22 ALA HA H 22 4.866 4.424 0.442 1
1 203 . 1 1 1 A 22 22 ALA C C 22 176.931 176.216 0.715 1
1 204 . 1 1 1 A 22 22 ALA CA C 22 51.910 51.502 0.408 1
1 205 . 1 1 1 A 22 22 ALA CB C 22 20.490 18.851 1.639 1
1 206 . 1 1 1 A 22 22 ALA N N 22 124.041 121.202 2.839 1
1 207 . 1 1 1 A 23 23 ARG H H 23 8.699 9.041 -0.342 1
1 208 . 1 1 1 A 23 23 ARG HA H 23 4.641 4.717 -0.076 1
1 215 . 1 1 1 A 23 23 ARG C C 23 173.587 175.070 -1.483 1
1 216 . 1 1 1 A 23 23 ARG CA C 23 55.000 55.413 -0.413 1
1 217 . 1 1 1 A 23 23 ARG CB C 23 32.420 31.474 0.946 1
1 220 . 1 1 1 A 23 23 ARG N N 23 120.753 123.659 -2.906 1
1 221 . 1 1 1 A 24 24 ALA H H 24 8.408 8.914 -0.506 1
1 222 . 1 1 1 A 24 24 ALA HA H 24 5.145 4.869 0.276 1
1 226 . 1 1 1 A 24 24 ALA C C 24 177.092 176.810 0.282 1
1 227 . 1 1 1 A 24 24 ALA CA C 24 51.160 50.711 0.449 1
1 228 . 1 1 1 A 24 24 ALA CB C 24 21.490 20.379 1.111 1
1 229 . 1 1 1 A 24 24 ALA N N 24 124.606 127.827 -3.221 1
1 230 . 1 1 1 A 25 25 VAL H H 25 8.842 8.804 0.038 1
1 231 . 1 1 1 A 25 25 VAL HA H 25 4.411 4.908 -0.497 1
1 239 . 1 1 1 A 25 25 VAL C C 25 174.558 175.360 -0.802 1
1 240 . 1 1 1 A 25 25 VAL CA C 25 60.160 59.722 0.438 1
1 241 . 1 1 1 A 25 25 VAL CB C 25 34.450 34.116 0.334 1
1 244 . 1 1 1 A 25 25 VAL N N 25 120.299 119.260 1.039 1
1 245 . 1 1 1 A 26 26 SER H H 26 8.744 9.089 -0.345 1
1 246 . 1 1 1 A 26 26 SER HA H 26 4.747 5.402 -0.655 1
1 249 . 1 1 1 A 26 26 SER C C 26 173.304 174.118 -0.814 1
1 250 . 1 1 1 A 26 26 SER CA C 26 58.720 55.901 2.819 1
1 251 . 1 1 1 A 26 26 SER CB C 26 63.910 66.362 -2.452 1
1 252 . 1 1 1 A 26 26 SER N N 26 121.229 118.511 2.718 1
1 253 . 1 1 1 A 27 27 ILE H H 27 8.716 8.978 -0.262 1
1 254 . 1 1 1 A 27 27 ILE HA H 27 4.360 4.972 -0.612 1
1 264 . 1 1 1 A 27 27 ILE C C 27 175.478 174.526 0.952 1
1 265 . 1 1 1 A 27 27 ILE CA C 27 60.670 60.337 0.333 1
1 266 . 1 1 1 A 27 27 ILE CB C 27 39.210 40.575 -1.365 1
1 270 . 1 1 1 A 27 27 ILE N N 27 124.450 122.255 2.195 1
1 271 . 1 1 1 A 28 28 VAL H H 28 8.426 8.573 -0.147 1
1 272 . 1 1 1 A 28 28 VAL HA H 28 4.298 4.679 -0.381 1
1 280 . 1 1 1 A 28 28 VAL CA C 28 61.850 61.170 0.680 1
1 281 . 1 1 1 A 28 28 VAL CB C 28 32.790 32.366 0.424 1
1 284 . 1 1 1 A 28 28 VAL N N 28 128.723 123.900 4.823 1
1 285 . 1 1 1 A 29 29 GLY H H 29 8.953 8.910 0.043 1
1 286 . 1 1 1 A 29 29 GLY HA2 H 29 3.988 3.872 0.116 1
1 287 . 1 1 1 A 29 29 GLY HA3 H 29 3.725 3.872 -0.147 1
1 288 . 1 1 1 A 29 29 GLY C C 29 176.487 174.289 2.198 1
1 289 . 1 1 1 A 29 29 GLY CA C 29 47.610 47.243 0.367 1
1 290 . 1 1 1 A 29 29 GLY N N 29 120.095 115.664 4.431 1
1 291 . 1 1 1 A 30 30 ASN H H 30 8.566 8.014 0.552 1
1 292 . 1 1 1 A 30 30 ASN HA H 30 4.422 4.973 -0.551 1
1 297 . 1 1 1 A 30 30 ASN C C 30 172.841 174.387 -1.546 1
1 298 . 1 1 1 A 30 30 ASN CA C 30 53.100 52.314 0.786 1
1 299 . 1 1 1 A 30 30 ASN CB C 30 38.630 39.588 -0.958 1
1 300 . 1 1 1 A 30 30 ASN N N 30 120.808 119.381 1.427 1
1 302 . 1 1 1 A 31 31 GLN H H 31 7.713 7.322 0.391 1
1 303 . 1 1 1 A 31 31 GLN HA H 31 5.672 5.004 0.668 1
1 310 . 1 1 1 A 31 31 GLN C C 31 174.828 174.171 0.657 1
1 311 . 1 1 1 A 31 31 GLN CA C 31 54.730 54.370 0.360 1
1 312 . 1 1 1 A 31 31 GLN CB C 31 32.800 32.019 0.781 1
1 314 . 1 1 1 A 31 31 GLN N N 31 118.262 120.236 -1.974 1
1 316 . 1 1 1 A 32 32 ILE H H 32 9.113 8.670 0.443 1
1 317 . 1 1 1 A 32 32 ILE HA H 32 4.454 4.649 -0.195 1
1 327 . 1 1 1 A 32 32 ILE C C 32 173.439 172.810 0.629 1
1 328 . 1 1 1 A 32 32 ILE CA C 32 59.610 59.373 0.237 1
1 329 . 1 1 1 A 32 32 ILE CB C 32 42.350 41.346 1.004 1
1 333 . 1 1 1 A 32 32 ILE N N 32 124.849 122.612 2.237 1
1 334 . 1 1 1 A 33 33 ASP H H 33 9.066 8.806 0.260 1
1 335 . 1 1 1 A 33 33 ASP HA H 33 5.077 4.953 0.124 1
1 338 . 1 1 1 A 33 33 ASP C C 33 178.378 176.705 1.673 1
1 339 . 1 1 1 A 33 33 ASP CA C 33 53.460 53.874 -0.414 1
1 340 . 1 1 1 A 33 33 ASP CB C 33 43.180 42.672 0.508 1
1 341 . 1 1 1 A 33 33 ASP N N 33 127.594 128.104 -0.510 1
1 342 . 1 1 1 A 34 34 SER H H 34 9.524 9.113 0.411 1
1 343 . 1 1 1 A 34 34 SER HA H 34 3.902 4.196 -0.294 1
1 346 . 1 1 1 A 34 34 SER C C 34 175.876 176.892 -1.016 1
1 347 . 1 1 1 A 34 34 SER CA C 34 61.980 61.454 0.526 1
1 348 . 1 1 1 A 34 34 SER CB C 34 61.510 62.886 -1.376 1
1 349 . 1 1 1 A 34 34 SER N N 34 125.026 120.360 4.666 1
1 350 . 1 1 1 A 35 35 ARG H H 35 9.022 7.988 1.034 1
1 351 . 1 1 1 A 35 35 ARG HA H 35 4.235 4.237 -0.002 1
1 358 . 1 1 1 A 35 35 ARG C C 35 178.661 179.010 -0.349 1
1 359 . 1 1 1 A 35 35 ARG CA C 35 58.840 59.199 -0.359 1
1 360 . 1 1 1 A 35 35 ARG CB C 35 29.970 29.667 0.303 1
1 363 . 1 1 1 A 35 35 ARG N N 35 122.601 122.061 0.540 1
1 364 . 1 1 1 A 36 36 GLU H H 36 7.689 7.859 -0.170 1
1 365 . 1 1 1 A 36 36 GLU HA H 36 4.202 4.046 0.156 1
1 370 . 1 1 1 A 36 36 GLU C C 36 177.285 179.118 -1.833 1
1 371 . 1 1 1 A 36 36 GLU CA C 36 57.340 58.907 -1.567 1
1 372 . 1 1 1 A 36 36 GLU CB C 36 30.910 29.359 1.551 1
1 374 . 1 1 1 A 36 36 GLU N N 36 115.420 120.307 -4.887 1
1 375 . 1 1 1 A 37 37 LEU H H 37 7.280 7.820 -0.540 1
1 376 . 1 1 1 A 37 37 LEU HA H 37 3.805 3.960 -0.155 1
1 386 . 1 1 1 A 37 37 LEU C C 37 176.410 177.902 -1.492 1
1 387 . 1 1 1 A 37 37 LEU CA C 37 56.790 57.623 -0.833 1
1 388 . 1 1 1 A 37 37 LEU CB C 37 42.510 41.994 0.516 1
1 392 . 1 1 1 A 37 37 LEU N N 37 117.043 119.706 -2.663 1
1 393 . 1 1 1 A 38 38 PHE H H 38 7.431 8.139 -0.708 1
1 394 . 1 1 1 A 38 38 PHE HA H 38 4.884 4.667 0.217 1
1 402 . 1 1 1 A 38 38 PHE C C 38 176.018 176.194 -0.176 1
1 403 . 1 1 1 A 38 38 PHE CA C 38 57.320 58.100 -0.780 1
1 404 . 1 1 1 A 38 38 PHE CB C 38 38.500 38.244 0.256 1
1 408 . 1 1 1 A 38 38 PHE N N 38 115.439 115.649 -0.210 1
1 409 . 1 1 1 A 39 39 THR H H 39 7.632 7.625 0.007 1
1 410 . 1 1 1 A 39 39 THR HA H 39 4.256 4.094 0.162 1
1 415 . 1 1 1 A 39 39 THR C C 39 175.986 175.728 0.258 1
1 416 . 1 1 1 A 39 39 THR CA C 39 62.630 65.180 -2.550 1
1 417 . 1 1 1 A 39 39 THR CB C 39 69.240 68.756 0.484 1
1 419 . 1 1 1 A 39 39 THR N N 39 112.395 115.154 -2.759 1
1 420 . 1 1 1 A 40 40 VAL H H 40 8.246 7.653 0.593 1
1 421 . 1 1 1 A 40 40 VAL HA H 40 4.121 4.123 -0.002 1
1 429 . 1 1 1 A 40 40 VAL C C 40 175.233 175.908 -0.675 1
1 430 . 1 1 1 A 40 40 VAL CA C 40 63.340 64.021 -0.681 1
1 431 . 1 1 1 A 40 40 VAL CB C 40 32.870 32.119 0.751 1
1 434 . 1 1 1 A 40 40 VAL N N 40 118.329 119.406 -1.077 1
1 435 . 1 1 1 A 41 41 ASP H H 41 8.048 8.099 -0.051 1
1 436 . 1 1 1 A 41 41 ASP HA H 41 4.792 4.888 -0.096 1
1 439 . 1 1 1 A 41 41 ASP CA C 41 53.950 52.016 1.934 1
1 440 . 1 1 1 A 41 41 ASP CB C 41 43.630 42.053 1.577 1
1 441 . 1 1 1 A 41 41 ASP N N 41 120.465 117.812 2.653 1
1 442 . 1 1 1 A 42 42 ARG H H 42 8.639 8.936 -0.297 1
1 443 . 1 1 1 A 42 42 ARG HA H 42 4.157 4.861 -0.704 1
1 450 . 1 1 1 A 42 42 ARG C C 42 173.606 175.653 -2.047 1
1 451 . 1 1 1 A 42 42 ARG CA C 42 56.340 55.701 0.639 1
1 452 . 1 1 1 A 42 42 ARG CB C 42 29.930 31.275 -1.345 1
1 455 . 1 1 1 A 42 42 ARG N N 42 116.578 120.680 -4.102 1
1 456 . 1 1 1 A 43 43 GLU H H 43 7.452 7.759 -0.307 1
1 457 . 1 1 1 A 43 43 GLU HA H 43 5.413 5.300 0.113 1
1 462 . 1 1 1 A 43 43 GLU C C 43 174.192 174.256 -0.064 1
1 463 . 1 1 1 A 43 43 GLU CA C 43 55.100 55.889 -0.789 1
1 464 . 1 1 1 A 43 43 GLU CB C 43 34.110 33.224 0.886 1
1 466 . 1 1 1 A 43 43 GLU N N 43 116.369 119.434 -3.065 1
1 467 . 1 1 1 A 44 44 ILE H H 44 9.056 9.453 -0.397 1
1 468 . 1 1 1 A 44 44 ILE HA H 44 4.696 4.980 -0.284 1
1 478 . 1 1 1 A 44 44 ILE C C 44 173.831 174.909 -1.078 1
1 479 . 1 1 1 A 44 44 ILE CA C 44 58.070 59.547 -1.477 1
1 480 . 1 1 1 A 44 44 ILE CB C 44 41.140 41.679 -0.539 1
1 484 . 1 1 1 A 44 44 ILE N N 44 123.963 127.063 -3.100 1
1 485 . 1 1 1 A 45 45 VAL H H 45 8.740 8.935 -0.195 1
1 486 . 1 1 1 A 45 45 VAL HA H 45 4.850 4.883 -0.033 1
1 494 . 1 1 1 A 45 45 VAL C C 45 175.175 175.353 -0.178 1
1 495 . 1 1 1 A 45 45 VAL CA C 45 60.990 61.067 -0.077 1
1 496 . 1 1 1 A 45 45 VAL CB C 45 33.810 33.787 0.023 1
1 499 . 1 1 1 A 45 45 VAL N N 45 126.299 126.695 -0.396 1
1 500 . 1 1 1 A 46 46 ILE H H 46 9.367 9.228 0.139 1
1 501 . 1 1 1 A 46 46 ILE HA H 46 4.830 4.747 0.083 1
1 511 . 1 1 1 A 46 46 ILE C C 46 175.433 174.885 0.548 1
1 512 . 1 1 1 A 46 46 ILE CA C 46 59.350 60.468 -1.118 1
1 513 . 1 1 1 A 46 46 ILE CB C 46 39.410 40.987 -1.577 1
1 517 . 1 1 1 A 46 46 ILE N N 46 126.797 126.809 -0.012 1
1 518 . 1 1 1 A 47 47 ALA H H 47 9.173 8.973 0.200 1
1 519 . 1 1 1 A 47 47 ALA HA H 47 4.790 5.132 -0.342 1
1 523 . 1 1 1 A 47 47 ALA C C 47 175.394 176.653 -1.259 1
1 524 . 1 1 1 A 47 47 ALA CA C 47 51.500 51.397 0.103 1
1 525 . 1 1 1 A 47 47 ALA CB C 47 19.020 20.742 -1.722 1
1 526 . 1 1 1 A 47 47 ALA N N 47 131.668 131.504 0.164 1
1 527 . 1 1 1 A 48 48 HIS H H 48 8.473 9.170 -0.697 1
1 528 . 1 1 1 A 48 48 HIS HA H 48 5.394 4.933 0.461 1
1 533 . 1 1 1 A 48 48 HIS C C 48 175.182 175.120 0.062 1
1 534 . 1 1 1 A 48 48 HIS CA C 48 54.520 55.446 -0.926 1
1 535 . 1 1 1 A 48 48 HIS CB C 48 33.190 32.257 0.933 1
1 538 . 1 1 1 A 48 48 HIS N N 48 126.144 123.061 3.083 1
1 539 . 1 1 1 A 49 49 GLY H H 49 8.847 8.962 -0.115 1
1 540 . 1 1 1 A 49 49 GLY HA2 H 49 3.795 3.564 0.231 1
1 541 . 1 1 1 A 49 49 GLY HA3 H 49 3.549 3.614 -0.065 1
1 542 . 1 1 1 A 49 49 GLY CA C 49 46.950 47.047 -0.097 1
1 543 . 1 1 1 A 49 49 GLY N N 49 117.318 115.973 1.345 1
1 544 . 1 1 1 A 50 50 ASP HA H 50 4.639 4.881 -0.242 1
1 547 . 1 1 1 A 50 50 ASP C C 50 175.825 175.332 0.493 1
1 548 . 1 1 1 A 50 50 ASP CA C 50 55.070 53.713 1.357 1
1 549 . 1 1 1 A 50 50 ASP CB C 50 31.070 43.597 -12.527 1
1 550 . 1 1 1 A 51 51 ASP H H 51 8.166 7.285 0.881 1
1 551 . 1 1 1 A 51 51 ASP HA H 51 4.810 4.904 -0.094 1
1 554 . 1 1 1 A 51 51 ASP C C 51 176.635 174.795 1.840 1
1 555 . 1 1 1 A 51 51 ASP CA C 51 53.950 52.795 1.155 1
1 556 . 1 1 1 A 51 51 ASP CB C 51 43.250 43.260 -0.010 1
1 557 . 1 1 1 A 51 51 ASP N N 51 120.310 119.663 0.647 1
1 558 . 1 1 1 A 52 52 ARG H H 52 8.784 8.317 0.467 1
1 559 . 1 1 1 A 52 52 ARG HA H 52 4.970 5.270 -0.300 1
1 566 . 1 1 1 A 52 52 ARG C C 52 174.757 174.500 0.257 1
1 567 . 1 1 1 A 52 52 ARG CA C 52 54.250 54.624 -0.374 1
1 568 . 1 1 1 A 52 52 ARG CB C 52 31.440 33.776 -2.336 1
1 571 . 1 1 1 A 52 52 ARG N N 52 123.348 121.198 2.150 1
1 572 . 1 1 1 A 53 53 TYR H H 53 8.850 9.550 -0.700 1
1 573 . 1 1 1 A 53 53 TYR HA H 53 4.806 5.271 -0.465 1
1 580 . 1 1 1 A 53 53 TYR C C 53 174.989 175.254 -0.265 1
1 581 . 1 1 1 A 53 53 TYR CA C 53 56.850 56.949 -0.099 1
1 582 . 1 1 1 A 53 53 TYR CB C 53 41.480 42.779 -1.299 1
1 585 . 1 1 1 A 53 53 TYR N N 53 122.391 123.082 -0.691 1
1 586 . 1 1 1 A 54 54 ARG H H 54 9.387 8.845 0.542 1
1 587 . 1 1 1 A 54 54 ARG HA H 54 4.936 5.297 -0.361 1
1 594 . 1 1 1 A 54 54 ARG C C 54 174.076 174.556 -0.480 1
1 595 . 1 1 1 A 54 54 ARG CA C 54 55.100 54.831 0.269 1
1 596 . 1 1 1 A 54 54 ARG CB C 54 31.750 32.598 -0.848 1
1 599 . 1 1 1 A 54 54 ARG N N 54 120.797 120.402 0.395 1
1 600 . 1 1 1 A 55 55 LEU H H 55 9.271 8.925 0.346 1
1 601 . 1 1 1 A 55 55 LEU HA H 55 5.237 5.025 0.212 1
1 611 . 1 1 1 A 55 55 LEU C C 55 174.841 175.555 -0.714 1
1 612 . 1 1 1 A 55 55 LEU CA C 55 53.590 54.449 -0.859 1
1 613 . 1 1 1 A 55 55 LEU CB C 55 43.470 43.395 0.075 1
1 617 . 1 1 1 A 55 55 LEU N N 55 128.735 127.723 1.012 1
1 618 . 1 1 1 A 56 56 ARG H H 56 9.000 9.204 -0.204 1
1 619 . 1 1 1 A 56 56 ARG HA H 56 5.110 5.238 -0.128 1
1 626 . 1 1 1 A 56 56 ARG C C 56 173.413 173.453 -0.040 1
1 627 . 1 1 1 A 56 56 ARG CA C 56 54.440 54.358 0.082 1
1 628 . 1 1 1 A 56 56 ARG CB C 56 34.540 33.903 0.637 1
1 631 . 1 1 1 A 56 56 ARG N N 56 125.280 128.580 -3.300 1
1 632 . 1 1 1 A 57 57 LEU H H 57 7.631 8.756 -1.125 1
1 633 . 1 1 1 A 57 57 LEU HA H 57 4.667 4.730 -0.063 1
1 643 . 1 1 1 A 57 57 LEU C C 57 177.709 176.033 1.676 1
1 644 . 1 1 1 A 57 57 LEU CA C 57 52.710 53.066 -0.356 1
1 645 . 1 1 1 A 57 57 LEU CB C 57 42.480 44.166 -1.686 1
1 649 . 1 1 1 A 57 57 LEU N N 57 122.967 127.443 -4.476 1
1 650 . 1 1 1 A 58 58 THR H H 58 9.001 8.855 0.146 1
1 651 . 1 1 1 A 58 58 THR HA H 58 4.508 4.773 -0.265 1
1 656 . 1 1 1 A 58 58 THR CA C 58 60.440 60.073 0.367 1
1 657 . 1 1 1 A 58 58 THR CB C 58 71.960 71.164 0.796 1
1 659 . 1 1 1 A 58 58 THR N N 58 116.533 115.478 1.055 1
1 660 . 1 1 1 A 60 60 GLN HA H 60 4.433 4.570 -0.137 1
1 665 . 1 1 1 A 60 60 GLN C C 60 174.738 176.274 -1.536 1
1 666 . 1 1 1 A 60 60 GLN CA C 60 55.280 55.005 0.275 1
1 667 . 1 1 1 A 60 60 GLN CB C 60 28.190 30.558 -2.368 1
1 669 . 1 1 1 A 61 61 ASN H H 61 8.333 8.353 -0.020 1
1 670 . 1 1 1 A 61 61 ASN HA H 61 4.262 4.606 -0.344 1
1 675 . 1 1 1 A 61 61 ASN C C 61 174.725 175.789 -1.064 1
1 676 . 1 1 1 A 61 61 ASN CA C 61 54.130 55.035 -0.905 1
1 677 . 1 1 1 A 61 61 ASN CB C 61 37.560 38.862 -1.302 1
1 678 . 1 1 1 A 61 61 ASN N N 61 116.480 118.659 -2.179 1
1 680 . 1 1 1 A 62 62 LYS H H 62 7.111 7.322 -0.211 1
1 681 . 1 1 1 A 62 62 LYS HA H 62 4.520 4.625 -0.105 1
1 690 . 1 1 1 A 62 62 LYS C C 62 174.057 173.907 0.150 1
1 691 . 1 1 1 A 62 62 LYS CA C 62 53.930 54.959 -1.029 1
1 692 . 1 1 1 A 62 62 LYS CB C 62 34.060 34.342 -0.282 1
1 696 . 1 1 1 A 62 62 LYS N N 62 116.535 112.786 3.749 1
1 697 . 1 1 1 A 63 63 LEU H H 63 6.706 8.517 -1.811 1
1 698 . 1 1 1 A 63 63 LEU HA H 63 5.093 5.284 -0.191 1
1 708 . 1 1 1 A 63 63 LEU C C 63 175.503 175.146 0.357 1
1 709 . 1 1 1 A 63 63 LEU CA C 63 53.330 52.546 0.784 1
1 710 . 1 1 1 A 63 63 LEU CB C 63 43.280 46.239 -2.959 1
1 714 . 1 1 1 A 63 63 LEU N N 63 119.236 114.482 4.754 1
1 715 . 1 1 1 A 64 64 ILE H H 64 8.471 8.985 -0.514 1
1 716 . 1 1 1 A 64 64 ILE HA H 64 4.429 4.908 -0.479 1
1 726 . 1 1 1 A 64 64 ILE C C 64 172.642 173.762 -1.120 1
1 727 . 1 1 1 A 64 64 ILE CA C 64 59.520 59.117 0.403 1
1 728 . 1 1 1 A 64 64 ILE CB C 64 42.740 41.960 0.780 1
1 732 . 1 1 1 A 64 64 ILE N N 64 116.258 114.145 2.113 1
1 733 . 1 1 1 A 65 65 LEU H H 65 8.429 8.917 -0.488 1
1 734 . 1 1 1 A 65 65 LEU HA H 65 5.543 5.173 0.370 1
1 744 . 1 1 1 A 65 65 LEU C C 65 176.050 174.861 1.189 1
1 745 . 1 1 1 A 65 65 LEU CA C 65 53.230 53.366 -0.136 1
1 746 . 1 1 1 A 65 65 LEU CB C 65 46.610 45.293 1.317 1
1 750 . 1 1 1 A 65 65 LEU N N 65 125.259 124.348 0.911 1
1 751 . 1 1 1 A 66 66 THR H H 66 9.302 8.652 0.650 1
1 752 . 1 1 1 A 66 66 THR HA H 66 4.905 4.824 0.081 1
1 757 . 1 1 1 A 66 66 THR C C 66 172.436 171.805 0.631 1
1 758 . 1 1 1 A 66 66 THR CA C 66 59.850 60.294 -0.444 1
1 759 . 1 1 1 A 66 66 THR CB C 66 71.650 69.998 1.652 1
1 761 . 1 1 1 A 66 66 THR N N 66 121.417 118.123 3.294 1
1 7 . 2 1 1 A 2 2 MET H H 2 8.334 8.805 -0.471 1
1 8 . 2 1 1 A 2 2 MET HA H 2 4.432 5.020 -0.588 1
1 16 . 2 1 1 A 2 2 MET C C 2 176.391 174.902 1.489 1
1 17 . 2 1 1 A 2 2 MET CA C 2 55.880 54.766 1.114 1
1 18 . 2 1 1 A 2 2 MET CB C 2 32.400 34.148 -1.748 1
1 21 . 2 1 1 A 2 2 MET N N 2 121.118 125.161 -4.043 1
1 22 . 2 1 1 A 3 3 THR H H 3 8.177 8.851 -0.674 1
1 23 . 2 1 1 A 3 3 THR HA H 3 4.338 4.495 -0.157 1
1 28 . 2 1 1 A 3 3 THR C C 3 174.455 174.353 0.102 1
1 29 . 2 1 1 A 3 3 THR CA C 3 61.410 62.790 -1.380 1
1 30 . 2 1 1 A 3 3 THR CB C 3 69.710 69.669 0.041 1
1 32 . 2 1 1 A 3 3 THR N N 3 115.029 119.542 -4.513 1
1 33 . 2 1 1 A 4 4 ALA H H 4 8.429 8.513 -0.084 1
1 34 . 2 1 1 A 4 4 ALA HA H 4 4.303 4.569 -0.266 1
1 38 . 2 1 1 A 4 4 ALA C C 4 178.127 176.913 1.214 1
1 39 . 2 1 1 A 4 4 ALA CA C 4 52.580 51.581 0.999 1
1 40 . 2 1 1 A 4 4 ALA CB C 4 19.370 19.197 0.173 1
1 41 . 2 1 1 A 4 4 ALA N N 4 126.222 128.431 -2.209 1
1 42 . 2 1 1 A 5 5 SER H H 5 8.257 8.528 -0.271 1
1 43 . 2 1 1 A 5 5 SER HA H 5 4.352 4.424 -0.072 1
1 46 . 2 1 1 A 5 5 SER C C 5 174.687 173.843 0.844 1
1 47 . 2 1 1 A 5 5 SER CA C 5 58.790 58.401 0.389 1
1 48 . 2 1 1 A 5 5 SER CB C 5 63.720 63.553 0.167 1
1 49 . 2 1 1 A 5 5 SER N N 5 114.762 118.773 -4.011 1
1 50 . 2 1 1 A 6 6 ASP H H 6 8.186 8.478 -0.292 1
1 51 . 2 1 1 A 6 6 ASP HA H 6 4.547 4.583 -0.036 1
1 54 . 2 1 1 A 6 6 ASP C C 6 176.423 175.828 0.595 1
1 55 . 2 1 1 A 6 6 ASP CA C 6 54.760 54.521 0.239 1
1 56 . 2 1 1 A 6 6 ASP CB C 6 41.110 41.301 -0.191 1
1 57 . 2 1 1 A 6 6 ASP N N 6 122.104 124.566 -2.462 1
1 58 . 2 1 1 A 7 7 ARG H H 7 8.063 8.862 -0.799 1
1 59 . 2 1 1 A 7 7 ARG HA H 7 4.276 4.894 -0.618 1
1 66 . 2 1 1 A 7 7 ARG C C 7 176.455 174.992 1.463 1
1 67 . 2 1 1 A 7 7 ARG CA C 7 56.310 54.185 2.125 1
1 68 . 2 1 1 A 7 7 ARG CB C 7 30.470 32.691 -2.221 1
1 71 . 2 1 1 A 7 7 ARG N N 7 120.343 118.098 2.245 1
1 72 . 2 1 1 A 8 8 LEU H H 8 8.157 8.425 -0.268 1
1 73 . 2 1 1 A 8 8 LEU HA H 8 4.288 4.337 -0.049 1
1 83 . 2 1 1 A 8 8 LEU C C 8 177.940 177.623 0.317 1
1 84 . 2 1 1 A 8 8 LEU CA C 8 55.630 55.392 0.238 1
1 85 . 2 1 1 A 8 8 LEU CB C 8 42.540 42.892 -0.352 1
1 89 . 2 1 1 A 8 8 LEU N N 8 122.546 119.908 2.638 1
1 90 . 2 1 1 A 9 9 GLY H H 9 8.290 8.650 -0.360 1
1 91 . 2 1 1 A 9 9 GLY HA2 H 9 3.896 3.990 -0.094 1
1 92 . 2 1 1 A 9 9 GLY HA3 H 9 3.896 3.990 -0.094 1
1 93 . 2 1 1 A 9 9 GLY C C 9 173.664 175.830 -2.166 1
1 94 . 2 1 1 A 9 9 GLY CA C 9 45.320 45.188 0.132 1
1 95 . 2 1 1 A 9 9 GLY N N 9 109.549 111.125 -1.576 1
1 96 . 2 1 1 A 10 10 ALA H H 10 7.980 7.871 0.109 1
1 97 . 2 1 1 A 10 10 ALA HA H 10 4.276 4.199 0.077 1
1 101 . 2 1 1 A 10 10 ALA C C 10 177.182 176.864 0.318 1
1 102 . 2 1 1 A 10 10 ALA CA C 10 52.130 53.178 -1.048 1
1 103 . 2 1 1 A 10 10 ALA CB C 10 19.460 19.442 0.018 1
1 104 . 2 1 1 A 10 10 ALA N N 10 123.266 122.334 0.932 1
1 105 . 2 1 1 A 11 11 ASP H H 11 8.292 7.591 0.701 1
1 106 . 2 1 1 A 11 11 ASP HA H 11 4.840 4.770 0.070 1
1 109 . 2 1 1 A 11 11 ASP CA C 11 51.950 52.288 -0.338 1
1 110 . 2 1 1 A 11 11 ASP CB C 11 41.320 40.923 0.397 1
1 111 . 2 1 1 A 11 11 ASP N N 11 120.930 117.656 3.274 1
1 112 . 2 1 1 A 12 12 PRO HA H 12 4.450 4.712 -0.262 1
1 119 . 2 1 1 A 12 12 PRO C C 12 177.670 177.030 0.640 1
1 120 . 2 1 1 A 12 12 PRO CA C 12 63.940 62.645 1.295 1
1 121 . 2 1 1 A 12 12 PRO CB C 12 32.180 32.020 0.160 1
1 124 . 2 1 1 A 13 13 THR H H 13 8.304 8.310 -0.006 1
1 125 . 2 1 1 A 13 13 THR HA H 13 4.234 4.385 -0.151 1
1 130 . 2 1 1 A 13 13 THR C C 13 175.085 175.054 0.031 1
1 131 . 2 1 1 A 13 13 THR CA C 13 62.770 62.016 0.754 1
1 132 . 2 1 1 A 13 13 THR CB C 13 69.509 69.120 0.389 1
1 134 . 2 1 1 A 13 13 THR N N 13 112.749 114.223 -1.474 1
1 135 . 2 1 1 A 14 14 GLN H H 14 7.963 7.422 0.541 1
1 136 . 2 1 1 A 14 14 GLN HA H 14 4.282 4.099 0.183 1
1 141 . 2 1 1 A 14 14 GLN C C 14 175.773 175.098 0.675 1
1 142 . 2 1 1 A 14 14 GLN CA C 14 55.770 56.579 -0.809 1
1 143 . 2 1 1 A 14 14 GLN CB C 14 29.440 29.438 0.002 1
1 145 . 2 1 1 A 14 14 GLN N N 14 121.849 122.987 -1.138 1
1 146 . 2 1 1 A 15 15 ALA H H 15 8.150 8.734 -0.584 1
1 147 . 2 1 1 A 15 15 ALA HA H 15 4.237 4.968 -0.731 1
1 151 . 2 1 1 A 15 15 ALA C C 15 177.587 175.377 2.210 1
1 152 . 2 1 1 A 15 15 ALA CA C 15 52.750 50.789 1.961 1
1 153 . 2 1 1 A 15 15 ALA CB C 15 19.180 23.350 -4.170 1
1 154 . 2 1 1 A 15 15 ALA N N 15 125.125 128.605 -3.480 1
1 155 . 2 1 1 A 16 16 ALA H H 16 8.234 8.687 -0.453 1
1 156 . 2 1 1 A 16 16 ALA HA H 16 4.291 5.103 -0.812 1
1 160 . 2 1 1 A 16 16 ALA C C 16 177.741 177.188 0.553 1
1 161 . 2 1 1 A 16 16 ALA CA C 16 52.410 50.406 2.004 1
1 162 . 2 1 1 A 16 16 ALA CB C 16 19.130 20.492 -1.362 1
1 163 . 2 1 1 A 16 16 ALA N N 16 123.189 123.924 -0.735 1
1 164 . 2 1 1 A 17 17 SER H H 17 8.162 8.694 -0.532 1
1 165 . 2 1 1 A 17 17 SER HA H 17 4.431 4.458 -0.027 1
1 168 . 2 1 1 A 17 17 SER CA C 17 58.160 57.031 1.129 1
1 169 . 2 1 1 A 17 17 SER CB C 17 64.030 64.635 -0.605 1
1 170 . 2 1 1 A 17 17 SER N N 17 114.762 119.240 -4.478 1
1 171 . 2 1 1 A 18 18 SER H H 18 8.246 8.612 -0.366 1
1 172 . 2 1 1 A 18 18 SER HA H 18 4.747 4.982 -0.235 1
1 173 . 2 1 1 A 18 18 SER CA C 18 58.640 55.617 3.023 1
1 174 . 2 1 1 A 18 18 SER N N 18 118.482 119.006 -0.524 1
1 175 . 2 1 1 A 19 19 PRO HA H 19 4.426 4.667 -0.241 1
1 182 . 2 1 1 A 19 19 PRO CA C 19 63.790 62.969 0.821 1
1 183 . 2 1 1 A 19 19 PRO CB C 19 32.220 32.495 -0.275 1
1 186 . 2 1 1 A 20 20 GLY H H 20 8.452 8.413 0.039 1
1 187 . 2 1 1 A 20 20 GLY HA2 H 20 3.938 4.028 -0.090 1
1 188 . 2 1 1 A 20 20 GLY HA3 H 20 3.938 4.030 -0.092 1
1 189 . 2 1 1 A 20 20 GLY C C 20 174.674 174.553 0.121 1
1 190 . 2 1 1 A 20 20 GLY CA C 20 45.330 45.221 0.109 1
1 191 . 2 1 1 A 20 20 GLY N N 20 109.329 108.176 1.153 1
1 192 . 2 1 1 A 21 21 GLY H H 21 8.217 7.434 0.783 1
1 193 . 2 1 1 A 21 21 GLY HA2 H 21 3.946 4.087 -0.141 1
1 194 . 2 1 1 A 21 21 GLY HA3 H 21 3.946 4.088 -0.142 1
1 195 . 2 1 1 A 21 21 GLY C C 21 173.555 172.194 1.361 1
1 196 . 2 1 1 A 21 21 GLY CA C 21 45.390 45.480 -0.090 1
1 197 . 2 1 1 A 21 21 GLY N N 21 108.749 104.955 3.794 1
1 198 . 2 1 1 A 22 22 ALA H H 22 8.147 8.332 -0.185 1
1 199 . 2 1 1 A 22 22 ALA HA H 22 4.866 4.681 0.185 1
1 203 . 2 1 1 A 22 22 ALA C C 22 176.931 177.002 -0.071 1
1 204 . 2 1 1 A 22 22 ALA CA C 22 51.910 51.282 0.628 1
1 205 . 2 1 1 A 22 22 ALA CB C 22 20.490 19.554 0.936 1
1 206 . 2 1 1 A 22 22 ALA N N 22 124.041 124.557 -0.516 1
1 207 . 2 1 1 A 23 23 ARG H H 23 8.699 8.432 0.267 1
1 208 . 2 1 1 A 23 23 ARG HA H 23 4.641 4.568 0.073 1
1 215 . 2 1 1 A 23 23 ARG C C 23 173.587 175.241 -1.654 1
1 216 . 2 1 1 A 23 23 ARG CA C 23 55.000 55.873 -0.873 1
1 217 . 2 1 1 A 23 23 ARG CB C 23 32.420 30.929 1.491 1
1 220 . 2 1 1 A 23 23 ARG N N 23 120.753 122.658 -1.905 1
1 221 . 2 1 1 A 24 24 ALA H H 24 8.408 8.691 -0.283 1
1 222 . 2 1 1 A 24 24 ALA HA H 24 5.145 5.478 -0.333 1
1 226 . 2 1 1 A 24 24 ALA C C 24 177.092 176.708 0.384 1
1 227 . 2 1 1 A 24 24 ALA CA C 24 51.160 50.237 0.923 1
1 228 . 2 1 1 A 24 24 ALA CB C 24 21.490 21.541 -0.051 1
1 229 . 2 1 1 A 24 24 ALA N N 24 124.606 124.353 0.253 1
1 230 . 2 1 1 A 25 25 VAL H H 25 8.842 9.117 -0.275 1
1 231 . 2 1 1 A 25 25 VAL HA H 25 4.411 4.884 -0.473 1
1 239 . 2 1 1 A 25 25 VAL C C 25 174.558 175.253 -0.695 1
1 240 . 2 1 1 A 25 25 VAL CA C 25 60.160 59.457 0.703 1
1 241 . 2 1 1 A 25 25 VAL CB C 25 34.450 34.757 -0.307 1
1 244 . 2 1 1 A 25 25 VAL N N 25 120.299 117.562 2.737 1
1 245 . 2 1 1 A 26 26 SER H H 26 8.744 9.071 -0.327 1
1 246 . 2 1 1 A 26 26 SER HA H 26 4.747 5.368 -0.621 1
1 249 . 2 1 1 A 26 26 SER C C 26 173.304 174.097 -0.793 1
1 250 . 2 1 1 A 26 26 SER CA C 26 58.720 55.881 2.839 1
1 251 . 2 1 1 A 26 26 SER CB C 26 63.910 66.172 -2.262 1
1 252 . 2 1 1 A 26 26 SER N N 26 121.229 118.551 2.678 1
1 253 . 2 1 1 A 27 27 ILE H H 27 8.716 8.845 -0.129 1
1 254 . 2 1 1 A 27 27 ILE HA H 27 4.360 5.062 -0.702 1
1 264 . 2 1 1 A 27 27 ILE C C 27 175.478 174.325 1.153 1
1 265 . 2 1 1 A 27 27 ILE CA C 27 60.670 60.368 0.302 1
1 266 . 2 1 1 A 27 27 ILE CB C 27 39.210 41.585 -2.375 1
1 270 . 2 1 1 A 27 27 ILE N N 27 124.450 122.267 2.183 1
1 271 . 2 1 1 A 28 28 VAL H H 28 8.426 8.440 -0.014 1
1 272 . 2 1 1 A 28 28 VAL HA H 28 4.298 4.746 -0.448 1
1 280 . 2 1 1 A 28 28 VAL CA C 28 61.850 61.012 0.838 1
1 281 . 2 1 1 A 28 28 VAL CB C 28 32.790 32.422 0.368 1
1 284 . 2 1 1 A 28 28 VAL N N 28 128.723 123.661 5.062 1
1 285 . 2 1 1 A 29 29 GLY H H 29 8.953 8.915 0.038 1
1 286 . 2 1 1 A 29 29 GLY HA2 H 29 3.988 3.873 0.115 1
1 287 . 2 1 1 A 29 29 GLY HA3 H 29 3.725 3.873 -0.148 1
1 288 . 2 1 1 A 29 29 GLY C C 29 176.487 174.359 2.128 1
1 289 . 2 1 1 A 29 29 GLY CA C 29 47.610 47.177 0.433 1
1 290 . 2 1 1 A 29 29 GLY N N 29 120.095 115.638 4.457 1
1 291 . 2 1 1 A 30 30 ASN H H 30 8.566 8.038 0.528 1
1 292 . 2 1 1 A 30 30 ASN HA H 30 4.422 4.959 -0.537 1
1 297 . 2 1 1 A 30 30 ASN C C 30 172.841 174.340 -1.499 1
1 298 . 2 1 1 A 30 30 ASN CA C 30 53.100 52.310 0.790 1
1 299 . 2 1 1 A 30 30 ASN CB C 30 38.630 39.436 -0.806 1
1 300 . 2 1 1 A 30 30 ASN N N 30 120.808 118.751 2.057 1
1 302 . 2 1 1 A 31 31 GLN H H 31 7.713 7.234 0.479 1
1 303 . 2 1 1 A 31 31 GLN HA H 31 5.672 5.004 0.668 1
1 310 . 2 1 1 A 31 31 GLN C C 31 174.828 174.214 0.614 1
1 311 . 2 1 1 A 31 31 GLN CA C 31 54.730 54.484 0.246 1
1 312 . 2 1 1 A 31 31 GLN CB C 31 32.800 31.907 0.893 1
1 314 . 2 1 1 A 31 31 GLN N N 31 118.262 120.248 -1.986 1
1 316 . 2 1 1 A 32 32 ILE H H 32 9.113 8.627 0.486 1
1 317 . 2 1 1 A 32 32 ILE HA H 32 4.454 4.685 -0.231 1
1 327 . 2 1 1 A 32 32 ILE C C 32 173.439 172.524 0.915 1
1 328 . 2 1 1 A 32 32 ILE CA C 32 59.610 59.364 0.246 1
1 329 . 2 1 1 A 32 32 ILE CB C 32 42.350 41.208 1.142 1
1 333 . 2 1 1 A 32 32 ILE N N 32 124.849 123.124 1.725 1
1 334 . 2 1 1 A 33 33 ASP H H 33 9.066 8.874 0.192 1
1 335 . 2 1 1 A 33 33 ASP HA H 33 5.077 5.196 -0.119 1
1 338 . 2 1 1 A 33 33 ASP C C 33 178.378 176.985 1.393 1
1 339 . 2 1 1 A 33 33 ASP CA C 33 53.460 53.067 0.393 1
1 340 . 2 1 1 A 33 33 ASP CB C 33 43.180 43.459 -0.279 1
1 341 . 2 1 1 A 33 33 ASP N N 33 127.594 127.826 -0.232 1
1 342 . 2 1 1 A 34 34 SER H H 34 9.524 9.202 0.322 1
1 343 . 2 1 1 A 34 34 SER HA H 34 3.902 4.274 -0.372 1
1 346 . 2 1 1 A 34 34 SER C C 34 175.876 176.513 -0.637 1
1 347 . 2 1 1 A 34 34 SER CA C 34 61.980 61.755 0.225 1
1 348 . 2 1 1 A 34 34 SER CB C 34 61.510 63.026 -1.516 1
1 349 . 2 1 1 A 34 34 SER N N 34 125.026 121.341 3.685 1
1 350 . 2 1 1 A 35 35 ARG H H 35 9.022 7.964 1.058 1
1 351 . 2 1 1 A 35 35 ARG HA H 35 4.235 4.123 0.112 1
1 358 . 2 1 1 A 35 35 ARG C C 35 178.661 178.593 0.068 1
1 359 . 2 1 1 A 35 35 ARG CA C 35 58.840 59.425 -0.585 1
1 360 . 2 1 1 A 35 35 ARG CB C 35 29.970 29.771 0.199 1
1 363 . 2 1 1 A 35 35 ARG N N 35 122.601 121.494 1.107 1
1 364 . 2 1 1 A 36 36 GLU H H 36 7.689 7.654 0.035 1
1 365 . 2 1 1 A 36 36 GLU HA H 36 4.202 4.032 0.170 1
1 370 . 2 1 1 A 36 36 GLU C C 36 177.285 179.347 -2.062 1
1 371 . 2 1 1 A 36 36 GLU CA C 36 57.340 58.798 -1.458 1
1 372 . 2 1 1 A 36 36 GLU CB C 36 30.910 29.502 1.408 1
1 374 . 2 1 1 A 36 36 GLU N N 36 115.420 118.886 -3.466 1
1 375 . 2 1 1 A 37 37 LEU H H 37 7.280 8.098 -0.818 1
1 376 . 2 1 1 A 37 37 LEU HA H 37 3.805 3.963 -0.158 1
1 386 . 2 1 1 A 37 37 LEU C C 37 176.410 177.946 -1.536 1
1 387 . 2 1 1 A 37 37 LEU CA C 37 56.790 57.581 -0.791 1
1 388 . 2 1 1 A 37 37 LEU CB C 37 42.510 41.861 0.649 1
1 392 . 2 1 1 A 37 37 LEU N N 37 117.043 119.688 -2.645 1
1 393 . 2 1 1 A 38 38 PHE H H 38 7.431 8.005 -0.574 1
1 394 . 2 1 1 A 38 38 PHE HA H 38 4.884 4.698 0.186 1
1 402 . 2 1 1 A 38 38 PHE C C 38 176.018 176.085 -0.067 1
1 403 . 2 1 1 A 38 38 PHE CA C 38 57.320 57.612 -0.292 1
1 404 . 2 1 1 A 38 38 PHE CB C 38 38.500 38.349 0.151 1
1 408 . 2 1 1 A 38 38 PHE N N 38 115.439 115.175 0.264 1
1 409 . 2 1 1 A 39 39 THR H H 39 7.632 7.613 0.019 1
1 410 . 2 1 1 A 39 39 THR HA H 39 4.256 4.088 0.168 1
1 415 . 2 1 1 A 39 39 THR C C 39 175.986 176.218 -0.232 1
1 416 . 2 1 1 A 39 39 THR CA C 39 62.630 65.445 -2.815 1
1 417 . 2 1 1 A 39 39 THR CB C 39 69.240 68.840 0.400 1
1 419 . 2 1 1 A 39 39 THR N N 39 112.395 115.215 -2.820 1
1 420 . 2 1 1 A 40 40 VAL H H 40 8.246 7.676 0.570 1
1 421 . 2 1 1 A 40 40 VAL HA H 40 4.121 4.074 0.047 1
1 429 . 2 1 1 A 40 40 VAL C C 40 175.233 175.871 -0.638 1
1 430 . 2 1 1 A 40 40 VAL CA C 40 63.340 63.951 -0.611 1
1 431 . 2 1 1 A 40 40 VAL CB C 40 32.870 32.285 0.585 1
1 434 . 2 1 1 A 40 40 VAL N N 40 118.329 120.141 -1.812 1
1 435 . 2 1 1 A 41 41 ASP H H 41 8.048 8.032 0.016 1
1 436 . 2 1 1 A 41 41 ASP HA H 41 4.792 4.858 -0.066 1
1 439 . 2 1 1 A 41 41 ASP CA C 41 53.950 53.470 0.480 1
1 440 . 2 1 1 A 41 41 ASP CB C 41 43.630 42.233 1.397 1
1 441 . 2 1 1 A 41 41 ASP N N 41 120.465 118.989 1.476 1
1 442 . 2 1 1 A 42 42 ARG H H 42 8.639 8.949 -0.310 1
1 443 . 2 1 1 A 42 42 ARG HA H 42 4.157 4.878 -0.721 1
1 450 . 2 1 1 A 42 42 ARG C C 42 173.606 175.588 -1.982 1
1 451 . 2 1 1 A 42 42 ARG CA C 42 56.340 55.598 0.742 1
1 452 . 2 1 1 A 42 42 ARG CB C 42 29.930 31.541 -1.611 1
1 455 . 2 1 1 A 42 42 ARG N N 42 116.578 121.436 -4.858 1
1 456 . 2 1 1 A 43 43 GLU H H 43 7.452 7.757 -0.305 1
1 457 . 2 1 1 A 43 43 GLU HA H 43 5.413 5.346 0.067 1
1 462 . 2 1 1 A 43 43 GLU C C 43 174.192 174.307 -0.115 1
1 463 . 2 1 1 A 43 43 GLU CA C 43 55.100 55.917 -0.817 1
1 464 . 2 1 1 A 43 43 GLU CB C 43 34.110 33.246 0.864 1
1 466 . 2 1 1 A 43 43 GLU N N 43 116.369 118.737 -2.368 1
1 467 . 2 1 1 A 44 44 ILE H H 44 9.056 9.663 -0.607 1
1 468 . 2 1 1 A 44 44 ILE HA H 44 4.696 4.987 -0.291 1
1 478 . 2 1 1 A 44 44 ILE C C 44 173.831 174.538 -0.707 1
1 479 . 2 1 1 A 44 44 ILE CA C 44 58.070 59.645 -1.575 1
1 480 . 2 1 1 A 44 44 ILE CB C 44 41.140 41.228 -0.088 1
1 484 . 2 1 1 A 44 44 ILE N N 44 123.963 127.058 -3.095 1
1 485 . 2 1 1 A 45 45 VAL H H 45 8.740 9.108 -0.368 1
1 486 . 2 1 1 A 45 45 VAL HA H 45 4.850 4.854 -0.004 1
1 494 . 2 1 1 A 45 45 VAL C C 45 175.175 175.476 -0.301 1
1 495 . 2 1 1 A 45 45 VAL CA C 45 60.990 61.473 -0.483 1
1 496 . 2 1 1 A 45 45 VAL CB C 45 33.810 33.373 0.437 1
1 499 . 2 1 1 A 45 45 VAL N N 45 126.299 127.045 -0.746 1
1 500 . 2 1 1 A 46 46 ILE H H 46 9.367 9.448 -0.081 1
1 501 . 2 1 1 A 46 46 ILE HA H 46 4.830 4.784 0.046 1
1 511 . 2 1 1 A 46 46 ILE C C 46 175.433 174.991 0.442 1
1 512 . 2 1 1 A 46 46 ILE CA C 46 59.350 60.568 -1.218 1
1 513 . 2 1 1 A 46 46 ILE CB C 46 39.410 40.334 -0.924 1
1 517 . 2 1 1 A 46 46 ILE N N 46 126.797 127.522 -0.725 1
1 518 . 2 1 1 A 47 47 ALA H H 47 9.173 8.896 0.277 1
1 519 . 2 1 1 A 47 47 ALA HA H 47 4.790 4.973 -0.183 1
1 523 . 2 1 1 A 47 47 ALA C C 47 175.394 176.786 -1.392 1
1 524 . 2 1 1 A 47 47 ALA CA C 47 51.500 51.634 -0.134 1
1 525 . 2 1 1 A 47 47 ALA CB C 47 19.020 20.421 -1.401 1
1 526 . 2 1 1 A 47 47 ALA N N 47 131.668 131.367 0.301 1
1 527 . 2 1 1 A 48 48 HIS H H 48 8.473 8.964 -0.491 1
1 528 . 2 1 1 A 48 48 HIS HA H 48 5.394 4.896 0.498 1
1 533 . 2 1 1 A 48 48 HIS C C 48 175.182 175.141 0.041 1
1 534 . 2 1 1 A 48 48 HIS CA C 48 54.520 55.542 -1.022 1
1 535 . 2 1 1 A 48 48 HIS CB C 48 33.190 32.073 1.117 1
1 538 . 2 1 1 A 48 48 HIS N N 48 126.144 123.069 3.075 1
1 539 . 2 1 1 A 49 49 GLY H H 49 8.847 8.954 -0.107 1
1 540 . 2 1 1 A 49 49 GLY HA2 H 49 3.795 3.596 0.199 1
1 541 . 2 1 1 A 49 49 GLY HA3 H 49 3.549 3.655 -0.106 1
1 542 . 2 1 1 A 49 49 GLY CA C 49 46.950 47.211 -0.261 1
1 543 . 2 1 1 A 49 49 GLY N N 49 117.318 115.960 1.358 1
1 544 . 2 1 1 A 50 50 ASP HA H 50 4.639 4.895 -0.256 1
1 547 . 2 1 1 A 50 50 ASP C C 50 175.825 175.573 0.252 1
1 548 . 2 1 1 A 50 50 ASP CA C 50 55.070 54.895 0.175 1
1 549 . 2 1 1 A 50 50 ASP CB C 50 31.070 43.780 -12.710 1
1 550 . 2 1 1 A 51 51 ASP H H 51 8.166 7.410 0.756 1
1 551 . 2 1 1 A 51 51 ASP HA H 51 4.810 4.504 0.306 1
1 554 . 2 1 1 A 51 51 ASP C C 51 176.635 175.686 0.949 1
1 555 . 2 1 1 A 51 51 ASP CA C 51 53.950 54.124 -0.174 1
1 556 . 2 1 1 A 51 51 ASP CB C 51 43.250 41.636 1.614 1
1 557 . 2 1 1 A 51 51 ASP N N 51 120.310 119.545 0.765 1
1 558 . 2 1 1 A 52 52 ARG H H 52 8.784 8.435 0.349 1
1 559 . 2 1 1 A 52 52 ARG HA H 52 4.970 4.952 0.018 1
1 566 . 2 1 1 A 52 52 ARG C C 52 174.757 174.702 0.055 1
1 567 . 2 1 1 A 52 52 ARG CA C 52 54.250 54.856 -0.606 1
1 568 . 2 1 1 A 52 52 ARG CB C 52 31.440 31.886 -0.446 1
1 571 . 2 1 1 A 52 52 ARG N N 52 123.348 124.372 -1.024 1
1 572 . 2 1 1 A 53 53 TYR H H 53 8.850 9.319 -0.469 1
1 573 . 2 1 1 A 53 53 TYR HA H 53 4.806 5.225 -0.419 1
1 580 . 2 1 1 A 53 53 TYR C C 53 174.989 175.490 -0.501 1
1 581 . 2 1 1 A 53 53 TYR CA C 53 56.850 57.141 -0.291 1
1 582 . 2 1 1 A 53 53 TYR CB C 53 41.480 41.671 -0.191 1
1 585 . 2 1 1 A 53 53 TYR N N 53 122.391 123.386 -0.995 1
1 586 . 2 1 1 A 54 54 ARG H H 54 9.387 9.150 0.237 1
1 587 . 2 1 1 A 54 54 ARG HA H 54 4.936 5.305 -0.369 1
1 594 . 2 1 1 A 54 54 ARG C C 54 174.076 174.556 -0.480 1
1 595 . 2 1 1 A 54 54 ARG CA C 54 55.100 54.788 0.312 1
1 596 . 2 1 1 A 54 54 ARG CB C 54 31.750 32.569 -0.819 1
1 599 . 2 1 1 A 54 54 ARG N N 54 120.797 120.854 -0.057 1
1 600 . 2 1 1 A 55 55 LEU H H 55 9.271 9.007 0.264 1
1 601 . 2 1 1 A 55 55 LEU HA H 55 5.237 4.999 0.238 1
1 611 . 2 1 1 A 55 55 LEU C C 55 174.841 175.552 -0.711 1
1 612 . 2 1 1 A 55 55 LEU CA C 55 53.590 54.499 -0.909 1
1 613 . 2 1 1 A 55 55 LEU CB C 55 43.470 43.500 -0.030 1
1 617 . 2 1 1 A 55 55 LEU N N 55 128.735 127.778 0.957 1
1 618 . 2 1 1 A 56 56 ARG H H 56 9.000 9.017 -0.017 1
1 619 . 2 1 1 A 56 56 ARG HA H 56 5.110 5.209 -0.099 1
1 626 . 2 1 1 A 56 56 ARG C C 56 173.413 173.666 -0.253 1
1 627 . 2 1 1 A 56 56 ARG CA C 56 54.440 54.321 0.119 1
1 628 . 2 1 1 A 56 56 ARG CB C 56 34.540 33.748 0.792 1
1 631 . 2 1 1 A 56 56 ARG N N 56 125.280 128.506 -3.226 1
1 632 . 2 1 1 A 57 57 LEU H H 57 7.631 8.762 -1.131 1
1 633 . 2 1 1 A 57 57 LEU HA H 57 4.667 4.884 -0.217 1
1 643 . 2 1 1 A 57 57 LEU C C 57 177.709 176.277 1.432 1
1 644 . 2 1 1 A 57 57 LEU CA C 57 52.710 52.845 -0.135 1
1 645 . 2 1 1 A 57 57 LEU CB C 57 42.480 44.411 -1.931 1
1 649 . 2 1 1 A 57 57 LEU N N 57 122.967 127.272 -4.305 1
1 650 . 2 1 1 A 58 58 THR H H 58 9.001 8.815 0.186 1
1 651 . 2 1 1 A 58 58 THR HA H 58 4.508 4.485 0.023 1
1 656 . 2 1 1 A 58 58 THR CA C 58 60.440 60.562 -0.122 1
1 657 . 2 1 1 A 58 58 THR CB C 58 71.960 71.050 0.910 1
1 659 . 2 1 1 A 58 58 THR N N 58 116.533 115.591 0.942 1
1 660 . 2 1 1 A 60 60 GLN HA H 60 4.433 4.553 -0.120 1
1 665 . 2 1 1 A 60 60 GLN C C 60 174.738 177.201 -2.463 1
1 666 . 2 1 1 A 60 60 GLN CA C 60 55.280 56.476 -1.196 1
1 667 . 2 1 1 A 60 60 GLN CB C 60 28.190 31.962 -3.772 1
1 669 . 2 1 1 A 61 61 ASN H H 61 8.333 8.592 -0.259 1
1 670 . 2 1 1 A 61 61 ASN HA H 61 4.262 4.443 -0.181 1
1 675 . 2 1 1 A 61 61 ASN C C 61 174.725 175.787 -1.062 1
1 676 . 2 1 1 A 61 61 ASN CA C 61 54.130 56.380 -2.250 1
1 677 . 2 1 1 A 61 61 ASN CB C 61 37.560 38.583 -1.023 1
1 678 . 2 1 1 A 61 61 ASN N N 61 116.480 118.020 -1.540 1
1 680 . 2 1 1 A 62 62 LYS H H 62 7.111 7.931 -0.820 1
1 681 . 2 1 1 A 62 62 LYS HA H 62 4.520 4.562 -0.042 1
1 690 . 2 1 1 A 62 62 LYS C C 62 174.057 173.960 0.097 1
1 691 . 2 1 1 A 62 62 LYS CA C 62 53.930 54.992 -1.062 1
1 692 . 2 1 1 A 62 62 LYS CB C 62 34.060 33.664 0.396 1
1 696 . 2 1 1 A 62 62 LYS N N 62 116.535 112.870 3.665 1
1 697 . 2 1 1 A 63 63 LEU H H 63 6.706 8.467 -1.761 1
1 698 . 2 1 1 A 63 63 LEU HA H 63 5.093 5.279 -0.186 1
1 708 . 2 1 1 A 63 63 LEU C C 63 175.503 175.136 0.367 1
1 709 . 2 1 1 A 63 63 LEU CA C 63 53.330 52.632 0.698 1
1 710 . 2 1 1 A 63 63 LEU CB C 63 43.280 46.273 -2.993 1
1 714 . 2 1 1 A 63 63 LEU N N 63 119.236 113.886 5.350 1
1 715 . 2 1 1 A 64 64 ILE H H 64 8.471 8.991 -0.520 1
1 716 . 2 1 1 A 64 64 ILE HA H 64 4.429 4.917 -0.488 1
1 726 . 2 1 1 A 64 64 ILE C C 64 172.642 173.596 -0.954 1
1 727 . 2 1 1 A 64 64 ILE CA C 64 59.520 58.941 0.579 1
1 728 . 2 1 1 A 64 64 ILE CB C 64 42.740 42.305 0.435 1
1 732 . 2 1 1 A 64 64 ILE N N 64 116.258 113.698 2.560 1
1 733 . 2 1 1 A 65 65 LEU H H 65 8.429 8.875 -0.446 1
1 734 . 2 1 1 A 65 65 LEU HA H 65 5.543 5.336 0.207 1
1 744 . 2 1 1 A 65 65 LEU C C 65 176.050 174.785 1.265 1
1 745 . 2 1 1 A 65 65 LEU CA C 65 53.230 53.172 0.058 1
1 746 . 2 1 1 A 65 65 LEU CB C 65 46.610 45.580 1.030 1
1 750 . 2 1 1 A 65 65 LEU N N 65 125.259 124.412 0.847 1
1 751 . 2 1 1 A 66 66 THR H H 66 9.302 8.506 0.796 1
1 752 . 2 1 1 A 66 66 THR HA H 66 4.905 4.832 0.073 1
1 757 . 2 1 1 A 66 66 THR C C 66 172.436 172.376 0.060 1
1 758 . 2 1 1 A 66 66 THR CA C 66 59.850 60.586 -0.736 1
1 759 . 2 1 1 A 66 66 THR CB C 66 71.650 69.791 1.859 1
1 761 . 2 1 1 A 66 66 THR N N 66 121.417 118.353 3.064 1
1 7 . 3 1 1 A 2 2 MET H H 2 8.334 8.645 -0.311 1
1 8 . 3 1 1 A 2 2 MET HA H 2 4.432 4.859 -0.427 1
1 16 . 3 1 1 A 2 2 MET C C 2 176.391 175.815 0.576 1
1 17 . 3 1 1 A 2 2 MET CA C 2 55.880 55.016 0.864 1
1 18 . 3 1 1 A 2 2 MET CB C 2 32.400 32.716 -0.316 1
1 21 . 3 1 1 A 2 2 MET N N 2 121.118 122.402 -1.284 1
1 22 . 3 1 1 A 3 3 THR H H 3 8.177 8.496 -0.319 1
1 23 . 3 1 1 A 3 3 THR HA H 3 4.338 4.316 0.022 1
1 28 . 3 1 1 A 3 3 THR C C 3 174.455 174.337 0.118 1
1 29 . 3 1 1 A 3 3 THR CA C 3 61.410 62.600 -1.190 1
1 30 . 3 1 1 A 3 3 THR CB C 3 69.710 69.241 0.469 1
1 32 . 3 1 1 A 3 3 THR N N 3 115.029 118.064 -3.035 1
1 33 . 3 1 1 A 4 4 ALA H H 4 8.429 7.528 0.901 1
1 34 . 3 1 1 A 4 4 ALA HA H 4 4.303 4.201 0.102 1
1 38 . 3 1 1 A 4 4 ALA C C 4 178.127 177.542 0.585 1
1 39 . 3 1 1 A 4 4 ALA CA C 4 52.580 52.068 0.512 1
1 40 . 3 1 1 A 4 4 ALA CB C 4 19.370 18.123 1.247 1
1 41 . 3 1 1 A 4 4 ALA N N 4 126.222 125.281 0.941 1
1 42 . 3 1 1 A 5 5 SER H H 5 8.257 8.399 -0.142 1
1 43 . 3 1 1 A 5 5 SER HA H 5 4.352 4.756 -0.404 1
1 46 . 3 1 1 A 5 5 SER C C 5 174.687 173.715 0.972 1
1 47 . 3 1 1 A 5 5 SER CA C 5 58.790 57.034 1.756 1
1 48 . 3 1 1 A 5 5 SER CB C 5 63.720 63.643 0.077 1
1 49 . 3 1 1 A 5 5 SER N N 5 114.762 116.208 -1.446 1
1 50 . 3 1 1 A 6 6 ASP H H 6 8.186 7.673 0.513 1
1 51 . 3 1 1 A 6 6 ASP HA H 6 4.547 4.597 -0.050 1
1 54 . 3 1 1 A 6 6 ASP C C 6 176.423 176.041 0.382 1
1 55 . 3 1 1 A 6 6 ASP CA C 6 54.760 54.249 0.511 1
1 56 . 3 1 1 A 6 6 ASP CB C 6 41.110 41.998 -0.888 1
1 57 . 3 1 1 A 6 6 ASP N N 6 122.104 122.554 -0.450 1
1 58 . 3 1 1 A 7 7 ARG H H 7 8.063 8.530 -0.467 1
1 59 . 3 1 1 A 7 7 ARG HA H 7 4.276 4.507 -0.231 1
1 66 . 3 1 1 A 7 7 ARG C C 7 176.455 175.117 1.338 1
1 67 . 3 1 1 A 7 7 ARG CA C 7 56.310 55.285 1.025 1
1 68 . 3 1 1 A 7 7 ARG CB C 7 30.470 29.845 0.625 1
1 71 . 3 1 1 A 7 7 ARG N N 7 120.343 123.800 -3.457 1
1 72 . 3 1 1 A 8 8 LEU H H 8 8.157 8.347 -0.190 1
1 73 . 3 1 1 A 8 8 LEU HA H 8 4.288 4.694 -0.406 1
1 83 . 3 1 1 A 8 8 LEU C C 8 177.940 175.969 1.971 1
1 84 . 3 1 1 A 8 8 LEU CA C 8 55.630 54.260 1.370 1
1 85 . 3 1 1 A 8 8 LEU CB C 8 42.540 40.893 1.647 1
1 89 . 3 1 1 A 8 8 LEU N N 8 122.546 127.154 -4.608 1
1 90 . 3 1 1 A 9 9 GLY H H 9 8.290 8.674 -0.384 1
1 91 . 3 1 1 A 9 9 GLY HA2 H 9 3.896 4.258 -0.362 1
1 92 . 3 1 1 A 9 9 GLY HA3 H 9 3.896 4.258 -0.362 1
1 93 . 3 1 1 A 9 9 GLY C C 9 173.664 171.945 1.719 1
1 94 . 3 1 1 A 9 9 GLY CA C 9 45.320 44.796 0.524 1
1 95 . 3 1 1 A 9 9 GLY N N 9 109.549 112.490 -2.941 1
1 96 . 3 1 1 A 10 10 ALA H H 10 7.980 8.931 -0.951 1
1 97 . 3 1 1 A 10 10 ALA HA H 10 4.276 5.063 -0.787 1
1 101 . 3 1 1 A 10 10 ALA C C 10 177.182 175.865 1.317 1
1 102 . 3 1 1 A 10 10 ALA CA C 10 52.130 50.830 1.300 1
1 103 . 3 1 1 A 10 10 ALA CB C 10 19.460 20.461 -1.001 1
1 104 . 3 1 1 A 10 10 ALA N N 10 123.266 128.853 -5.587 1
1 105 . 3 1 1 A 11 11 ASP H H 11 8.292 8.702 -0.410 1
1 106 . 3 1 1 A 11 11 ASP HA H 11 4.840 5.099 -0.259 1
1 109 . 3 1 1 A 11 11 ASP CA C 11 51.950 50.247 1.703 1
1 110 . 3 1 1 A 11 11 ASP CB C 11 41.320 41.976 -0.656 1
1 111 . 3 1 1 A 11 11 ASP N N 11 120.930 122.915 -1.985 1
1 112 . 3 1 1 A 12 12 PRO HA H 12 4.450 4.610 -0.160 1
1 119 . 3 1 1 A 12 12 PRO C C 12 177.670 176.585 1.085 1
1 120 . 3 1 1 A 12 12 PRO CA C 12 63.940 62.824 1.116 1
1 121 . 3 1 1 A 12 12 PRO CB C 12 32.180 31.766 0.414 1
1 124 . 3 1 1 A 13 13 THR H H 13 8.304 8.418 -0.114 1
1 125 . 3 1 1 A 13 13 THR HA H 13 4.234 4.516 -0.282 1
1 130 . 3 1 1 A 13 13 THR C C 13 175.085 173.987 1.098 1
1 131 . 3 1 1 A 13 13 THR CA C 13 62.770 61.379 1.391 1
1 132 . 3 1 1 A 13 13 THR CB C 13 69.509 68.632 0.877 1
1 134 . 3 1 1 A 13 13 THR N N 13 112.749 117.164 -4.415 1
1 135 . 3 1 1 A 14 14 GLN H H 14 7.963 8.318 -0.355 1
1 136 . 3 1 1 A 14 14 GLN HA H 14 4.282 4.622 -0.340 1
1 141 . 3 1 1 A 14 14 GLN C C 14 175.773 175.645 0.128 1
1 142 . 3 1 1 A 14 14 GLN CA C 14 55.770 54.511 1.259 1
1 143 . 3 1 1 A 14 14 GLN CB C 14 29.440 30.775 -1.335 1
1 145 . 3 1 1 A 14 14 GLN N N 14 121.849 127.790 -5.941 1
1 146 . 3 1 1 A 15 15 ALA H H 15 8.150 8.530 -0.380 1
1 147 . 3 1 1 A 15 15 ALA HA H 15 4.237 3.957 0.280 1
1 151 . 3 1 1 A 15 15 ALA C C 15 177.587 176.388 1.199 1
1 152 . 3 1 1 A 15 15 ALA CA C 15 52.750 53.883 -1.133 1
1 153 . 3 1 1 A 15 15 ALA CB C 15 19.180 17.882 1.298 1
1 154 . 3 1 1 A 15 15 ALA N N 15 125.125 120.939 4.186 1
1 155 . 3 1 1 A 16 16 ALA H H 16 8.234 7.753 0.481 1
1 156 . 3 1 1 A 16 16 ALA HA H 16 4.291 4.298 -0.007 1
1 160 . 3 1 1 A 16 16 ALA C C 16 177.741 176.429 1.312 1
1 161 . 3 1 1 A 16 16 ALA CA C 16 52.410 51.795 0.615 1
1 162 . 3 1 1 A 16 16 ALA CB C 16 19.130 18.013 1.117 1
1 163 . 3 1 1 A 16 16 ALA N N 16 123.189 121.297 1.892 1
1 164 . 3 1 1 A 17 17 SER H H 17 8.162 8.648 -0.486 1
1 165 . 3 1 1 A 17 17 SER HA H 17 4.431 4.819 -0.388 1
1 168 . 3 1 1 A 17 17 SER CA C 17 58.160 57.218 0.942 1
1 169 . 3 1 1 A 17 17 SER CB C 17 64.030 63.816 0.214 1
1 170 . 3 1 1 A 17 17 SER N N 17 114.762 120.142 -5.380 1
1 171 . 3 1 1 A 18 18 SER H H 18 8.246 8.806 -0.560 1
1 172 . 3 1 1 A 18 18 SER HA H 18 4.747 4.712 0.035 1
1 173 . 3 1 1 A 18 18 SER CA C 18 58.640 56.599 2.041 1
1 174 . 3 1 1 A 18 18 SER N N 18 118.482 125.106 -6.624 1
1 175 . 3 1 1 A 19 19 PRO HA H 19 4.426 4.659 -0.233 1
1 182 . 3 1 1 A 19 19 PRO CA C 19 63.790 63.094 0.696 1
1 183 . 3 1 1 A 19 19 PRO CB C 19 32.220 31.575 0.645 1
1 186 . 3 1 1 A 20 20 GLY H H 20 8.452 8.335 0.117 1
1 187 . 3 1 1 A 20 20 GLY HA2 H 20 3.938 4.104 -0.166 1
1 188 . 3 1 1 A 20 20 GLY HA3 H 20 3.938 4.105 -0.167 1
1 189 . 3 1 1 A 20 20 GLY C C 20 174.674 173.073 1.601 1
1 190 . 3 1 1 A 20 20 GLY CA C 20 45.330 45.345 -0.015 1
1 191 . 3 1 1 A 20 20 GLY N N 20 109.329 109.788 -0.459 1
1 192 . 3 1 1 A 21 21 GLY H H 21 8.217 9.132 -0.915 1
1 193 . 3 1 1 A 21 21 GLY HA2 H 21 3.946 4.095 -0.149 1
1 194 . 3 1 1 A 21 21 GLY HA3 H 21 3.946 4.096 -0.150 1
1 195 . 3 1 1 A 21 21 GLY C C 21 173.555 173.050 0.505 1
1 196 . 3 1 1 A 21 21 GLY CA C 21 45.390 46.124 -0.734 1
1 197 . 3 1 1 A 21 21 GLY N N 21 108.749 112.013 -3.264 1
1 198 . 3 1 1 A 22 22 ALA H H 22 8.147 8.059 0.088 1
1 199 . 3 1 1 A 22 22 ALA HA H 22 4.866 4.703 0.163 1
1 203 . 3 1 1 A 22 22 ALA C C 22 176.931 177.402 -0.471 1
1 204 . 3 1 1 A 22 22 ALA CA C 22 51.910 51.633 0.277 1
1 205 . 3 1 1 A 22 22 ALA CB C 22 20.490 19.968 0.522 1
1 206 . 3 1 1 A 22 22 ALA N N 22 124.041 124.121 -0.080 1
1 207 . 3 1 1 A 23 23 ARG H H 23 8.699 8.942 -0.243 1
1 208 . 3 1 1 A 23 23 ARG HA H 23 4.641 5.023 -0.382 1
1 215 . 3 1 1 A 23 23 ARG C C 23 173.587 174.912 -1.325 1
1 216 . 3 1 1 A 23 23 ARG CA C 23 55.000 54.521 0.479 1
1 217 . 3 1 1 A 23 23 ARG CB C 23 32.420 33.114 -0.694 1
1 220 . 3 1 1 A 23 23 ARG N N 23 120.753 119.998 0.755 1
1 221 . 3 1 1 A 24 24 ALA H H 24 8.408 8.858 -0.450 1
1 222 . 3 1 1 A 24 24 ALA HA H 24 5.145 4.882 0.263 1
1 226 . 3 1 1 A 24 24 ALA C C 24 177.092 176.889 0.203 1
1 227 . 3 1 1 A 24 24 ALA CA C 24 51.160 50.761 0.399 1
1 228 . 3 1 1 A 24 24 ALA CB C 24 21.490 20.250 1.240 1
1 229 . 3 1 1 A 24 24 ALA N N 24 124.606 126.225 -1.619 1
1 230 . 3 1 1 A 25 25 VAL H H 25 8.842 8.883 -0.041 1
1 231 . 3 1 1 A 25 25 VAL HA H 25 4.411 4.882 -0.471 1
1 239 . 3 1 1 A 25 25 VAL C C 25 174.558 174.854 -0.296 1
1 240 . 3 1 1 A 25 25 VAL CA C 25 60.160 59.895 0.265 1
1 241 . 3 1 1 A 25 25 VAL CB C 25 34.450 34.176 0.274 1
1 244 . 3 1 1 A 25 25 VAL N N 25 120.299 119.605 0.694 1
1 245 . 3 1 1 A 26 26 SER H H 26 8.744 8.829 -0.085 1
1 246 . 3 1 1 A 26 26 SER HA H 26 4.747 5.085 -0.338 1
1 249 . 3 1 1 A 26 26 SER C C 26 173.304 173.197 0.107 1
1 250 . 3 1 1 A 26 26 SER CA C 26 58.720 58.154 0.566 1
1 251 . 3 1 1 A 26 26 SER CB C 26 63.910 64.652 -0.742 1
1 252 . 3 1 1 A 26 26 SER N N 26 121.229 121.759 -0.530 1
1 253 . 3 1 1 A 27 27 ILE H H 27 8.716 8.969 -0.253 1
1 254 . 3 1 1 A 27 27 ILE HA H 27 4.360 4.785 -0.425 1
1 264 . 3 1 1 A 27 27 ILE C C 27 175.478 174.543 0.935 1
1 265 . 3 1 1 A 27 27 ILE CA C 27 60.670 60.350 0.320 1
1 266 . 3 1 1 A 27 27 ILE CB C 27 39.210 40.840 -1.630 1
1 270 . 3 1 1 A 27 27 ILE N N 27 124.450 124.044 0.406 1
1 271 . 3 1 1 A 28 28 VAL H H 28 8.426 8.597 -0.171 1
1 272 . 3 1 1 A 28 28 VAL HA H 28 4.298 4.633 -0.335 1
1 280 . 3 1 1 A 28 28 VAL CA C 28 61.850 61.464 0.386 1
1 281 . 3 1 1 A 28 28 VAL CB C 28 32.790 32.143 0.647 1
1 284 . 3 1 1 A 28 28 VAL N N 28 128.723 124.239 4.484 1
1 285 . 3 1 1 A 29 29 GLY H H 29 8.953 8.898 0.055 1
1 286 . 3 1 1 A 29 29 GLY HA2 H 29 3.988 3.892 0.096 1
1 287 . 3 1 1 A 29 29 GLY HA3 H 29 3.725 3.892 -0.167 1
1 288 . 3 1 1 A 29 29 GLY C C 29 176.487 174.345 2.142 1
1 289 . 3 1 1 A 29 29 GLY CA C 29 47.610 47.097 0.513 1
1 290 . 3 1 1 A 29 29 GLY N N 29 120.095 115.718 4.377 1
1 291 . 3 1 1 A 30 30 ASN H H 30 8.566 8.044 0.522 1
1 292 . 3 1 1 A 30 30 ASN HA H 30 4.422 4.960 -0.538 1
1 297 . 3 1 1 A 30 30 ASN C C 30 172.841 174.390 -1.549 1
1 298 . 3 1 1 A 30 30 ASN CA C 30 53.100 52.352 0.748 1
1 299 . 3 1 1 A 30 30 ASN CB C 30 38.630 39.556 -0.926 1
1 300 . 3 1 1 A 30 30 ASN N N 30 120.808 118.511 2.297 1
1 302 . 3 1 1 A 31 31 GLN H H 31 7.713 7.174 0.539 1
1 303 . 3 1 1 A 31 31 GLN HA H 31 5.672 5.025 0.647 1
1 310 . 3 1 1 A 31 31 GLN C C 31 174.828 173.972 0.856 1
1 311 . 3 1 1 A 31 31 GLN CA C 31 54.730 54.127 0.603 1
1 312 . 3 1 1 A 31 31 GLN CB C 31 32.800 31.795 1.005 1
1 314 . 3 1 1 A 31 31 GLN N N 31 118.262 120.493 -2.231 1
1 316 . 3 1 1 A 32 32 ILE H H 32 9.113 8.988 0.125 1
1 317 . 3 1 1 A 32 32 ILE HA H 32 4.454 5.084 -0.630 1
1 327 . 3 1 1 A 32 32 ILE C C 32 173.439 173.655 -0.216 1
1 328 . 3 1 1 A 32 32 ILE CA C 32 59.610 59.175 0.435 1
1 329 . 3 1 1 A 32 32 ILE CB C 32 42.350 41.890 0.460 1
1 333 . 3 1 1 A 32 32 ILE N N 32 124.849 127.064 -2.215 1
1 334 . 3 1 1 A 33 33 ASP H H 33 9.066 8.849 0.217 1
1 335 . 3 1 1 A 33 33 ASP HA H 33 5.077 4.849 0.228 1
1 338 . 3 1 1 A 33 33 ASP C C 33 178.378 177.325 1.053 1
1 339 . 3 1 1 A 33 33 ASP CA C 33 53.460 53.621 -0.161 1
1 340 . 3 1 1 A 33 33 ASP CB C 33 43.180 41.783 1.397 1
1 341 . 3 1 1 A 33 33 ASP N N 33 127.594 127.306 0.288 1
1 342 . 3 1 1 A 34 34 SER H H 34 9.524 9.148 0.376 1
1 343 . 3 1 1 A 34 34 SER HA H 34 3.902 4.353 -0.451 1
1 346 . 3 1 1 A 34 34 SER C C 34 175.876 177.004 -1.128 1
1 347 . 3 1 1 A 34 34 SER CA C 34 61.980 61.474 0.506 1
1 348 . 3 1 1 A 34 34 SER CB C 34 61.510 62.870 -1.360 1
1 349 . 3 1 1 A 34 34 SER N N 34 125.026 118.373 6.653 1
1 350 . 3 1 1 A 35 35 ARG H H 35 9.022 7.932 1.090 1
1 351 . 3 1 1 A 35 35 ARG HA H 35 4.235 4.094 0.141 1
1 358 . 3 1 1 A 35 35 ARG C C 35 178.661 178.825 -0.164 1
1 359 . 3 1 1 A 35 35 ARG CA C 35 58.840 59.761 -0.921 1
1 360 . 3 1 1 A 35 35 ARG CB C 35 29.970 29.706 0.264 1
1 363 . 3 1 1 A 35 35 ARG N N 35 122.601 122.580 0.021 1
1 364 . 3 1 1 A 36 36 GLU H H 36 7.689 7.851 -0.162 1
1 365 . 3 1 1 A 36 36 GLU HA H 36 4.202 4.026 0.176 1
1 370 . 3 1 1 A 36 36 GLU C C 36 177.285 178.972 -1.687 1
1 371 . 3 1 1 A 36 36 GLU CA C 36 57.340 58.882 -1.542 1
1 372 . 3 1 1 A 36 36 GLU CB C 36 30.910 29.292 1.618 1
1 374 . 3 1 1 A 36 36 GLU N N 36 115.420 118.678 -3.258 1
1 375 . 3 1 1 A 37 37 LEU H H 37 7.280 8.027 -0.747 1
1 376 . 3 1 1 A 37 37 LEU HA H 37 3.805 3.974 -0.169 1
1 386 . 3 1 1 A 37 37 LEU C C 37 176.410 178.081 -1.671 1
1 387 . 3 1 1 A 37 37 LEU CA C 37 56.790 57.495 -0.705 1
1 388 . 3 1 1 A 37 37 LEU CB C 37 42.510 42.324 0.186 1
1 392 . 3 1 1 A 37 37 LEU N N 37 117.043 119.519 -2.476 1
1 393 . 3 1 1 A 38 38 PHE H H 38 7.431 7.934 -0.503 1
1 394 . 3 1 1 A 38 38 PHE HA H 38 4.884 4.715 0.169 1
1 402 . 3 1 1 A 38 38 PHE C C 38 176.018 176.122 -0.104 1
1 403 . 3 1 1 A 38 38 PHE CA C 38 57.320 57.789 -0.469 1
1 404 . 3 1 1 A 38 38 PHE CB C 38 38.500 38.769 -0.269 1
1 408 . 3 1 1 A 38 38 PHE N N 38 115.439 114.849 0.590 1
1 409 . 3 1 1 A 39 39 THR H H 39 7.632 7.632 0.000 1
1 410 . 3 1 1 A 39 39 THR HA H 39 4.256 4.061 0.195 1
1 415 . 3 1 1 A 39 39 THR C C 39 175.986 175.040 0.946 1
1 416 . 3 1 1 A 39 39 THR CA C 39 62.630 65.096 -2.466 1
1 417 . 3 1 1 A 39 39 THR CB C 39 69.240 69.391 -0.151 1
1 419 . 3 1 1 A 39 39 THR N N 39 112.395 115.134 -2.739 1
1 420 . 3 1 1 A 40 40 VAL H H 40 8.246 7.941 0.305 1
1 421 . 3 1 1 A 40 40 VAL HA H 40 4.121 4.324 -0.203 1
1 429 . 3 1 1 A 40 40 VAL C C 40 175.233 174.194 1.039 1
1 430 . 3 1 1 A 40 40 VAL CA C 40 63.340 61.694 1.646 1
1 431 . 3 1 1 A 40 40 VAL CB C 40 32.870 32.091 0.779 1
1 434 . 3 1 1 A 40 40 VAL N N 40 118.329 118.173 0.156 1
1 435 . 3 1 1 A 41 41 ASP H H 41 8.048 8.230 -0.182 1
1 436 . 3 1 1 A 41 41 ASP HA H 41 4.792 5.020 -0.228 1
1 439 . 3 1 1 A 41 41 ASP CA C 41 53.950 53.775 0.175 1
1 440 . 3 1 1 A 41 41 ASP CB C 41 43.630 43.915 -0.285 1
1 441 . 3 1 1 A 41 41 ASP N N 41 120.465 126.221 -5.756 1
1 442 . 3 1 1 A 42 42 ARG H H 42 8.639 8.836 -0.197 1
1 443 . 3 1 1 A 42 42 ARG HA H 42 4.157 4.610 -0.453 1
1 450 . 3 1 1 A 42 42 ARG C C 42 173.606 175.539 -1.933 1
1 451 . 3 1 1 A 42 42 ARG CA C 42 56.340 56.743 -0.403 1
1 452 . 3 1 1 A 42 42 ARG CB C 42 29.930 32.641 -2.711 1
1 455 . 3 1 1 A 42 42 ARG N N 42 116.578 122.991 -6.413 1
1 456 . 3 1 1 A 43 43 GLU H H 43 7.452 8.295 -0.843 1
1 457 . 3 1 1 A 43 43 GLU HA H 43 5.413 5.312 0.101 1
1 462 . 3 1 1 A 43 43 GLU C C 43 174.192 174.306 -0.114 1
1 463 . 3 1 1 A 43 43 GLU CA C 43 55.100 56.122 -1.022 1
1 464 . 3 1 1 A 43 43 GLU CB C 43 34.110 33.407 0.703 1
1 466 . 3 1 1 A 43 43 GLU N N 43 116.369 117.913 -1.544 1
1 467 . 3 1 1 A 44 44 ILE H H 44 9.056 9.553 -0.497 1
1 468 . 3 1 1 A 44 44 ILE HA H 44 4.696 5.004 -0.308 1
1 478 . 3 1 1 A 44 44 ILE C C 44 173.831 174.542 -0.711 1
1 479 . 3 1 1 A 44 44 ILE CA C 44 58.070 59.695 -1.625 1
1 480 . 3 1 1 A 44 44 ILE CB C 44 41.140 41.469 -0.329 1
1 484 . 3 1 1 A 44 44 ILE N N 44 123.963 126.211 -2.248 1
1 485 . 3 1 1 A 45 45 VAL H H 45 8.740 9.059 -0.319 1
1 486 . 3 1 1 A 45 45 VAL HA H 45 4.850 4.793 0.057 1
1 494 . 3 1 1 A 45 45 VAL C C 45 175.175 175.336 -0.161 1
1 495 . 3 1 1 A 45 45 VAL CA C 45 60.990 61.337 -0.347 1
1 496 . 3 1 1 A 45 45 VAL CB C 45 33.810 33.625 0.185 1
1 499 . 3 1 1 A 45 45 VAL N N 45 126.299 127.025 -0.726 1
1 500 . 3 1 1 A 46 46 ILE H H 46 9.367 9.339 0.028 1
1 501 . 3 1 1 A 46 46 ILE HA H 46 4.830 4.767 0.063 1
1 511 . 3 1 1 A 46 46 ILE C C 46 175.433 175.056 0.377 1
1 512 . 3 1 1 A 46 46 ILE CA C 46 59.350 60.468 -1.118 1
1 513 . 3 1 1 A 46 46 ILE CB C 46 39.410 40.037 -0.627 1
1 517 . 3 1 1 A 46 46 ILE N N 46 126.797 127.195 -0.398 1
1 518 . 3 1 1 A 47 47 ALA H H 47 9.173 8.913 0.260 1
1 519 . 3 1 1 A 47 47 ALA HA H 47 4.790 4.943 -0.153 1
1 523 . 3 1 1 A 47 47 ALA C C 47 175.394 176.805 -1.411 1
1 524 . 3 1 1 A 47 47 ALA CA C 47 51.500 51.842 -0.342 1
1 525 . 3 1 1 A 47 47 ALA CB C 47 19.020 20.227 -1.207 1
1 526 . 3 1 1 A 47 47 ALA N N 47 131.668 131.069 0.599 1
1 527 . 3 1 1 A 48 48 HIS H H 48 8.473 9.243 -0.770 1
1 528 . 3 1 1 A 48 48 HIS HA H 48 5.394 4.936 0.458 1
1 533 . 3 1 1 A 48 48 HIS C C 48 175.182 175.121 0.061 1
1 534 . 3 1 1 A 48 48 HIS CA C 48 54.520 55.455 -0.935 1
1 535 . 3 1 1 A 48 48 HIS CB C 48 33.190 32.205 0.985 1
1 538 . 3 1 1 A 48 48 HIS N N 48 126.144 122.850 3.294 1
1 539 . 3 1 1 A 49 49 GLY H H 49 8.847 8.953 -0.106 1
1 540 . 3 1 1 A 49 49 GLY HA2 H 49 3.795 3.626 0.169 1
1 541 . 3 1 1 A 49 49 GLY HA3 H 49 3.549 3.643 -0.094 1
1 542 . 3 1 1 A 49 49 GLY CA C 49 46.950 46.948 0.002 1
1 543 . 3 1 1 A 49 49 GLY N N 49 117.318 116.027 1.291 1
1 544 . 3 1 1 A 50 50 ASP HA H 50 4.639 4.701 -0.062 1
1 547 . 3 1 1 A 50 50 ASP C C 50 175.825 175.060 0.765 1
1 548 . 3 1 1 A 50 50 ASP CA C 50 55.070 53.788 1.282 1
1 549 . 3 1 1 A 50 50 ASP CB C 50 31.070 42.449 -11.379 1
1 550 . 3 1 1 A 51 51 ASP H H 51 8.166 7.318 0.848 1
1 551 . 3 1 1 A 51 51 ASP HA H 51 4.810 4.827 -0.017 1
1 554 . 3 1 1 A 51 51 ASP C C 51 176.635 174.989 1.646 1
1 555 . 3 1 1 A 51 51 ASP CA C 51 53.950 53.426 0.524 1
1 556 . 3 1 1 A 51 51 ASP CB C 51 43.250 42.734 0.516 1
1 557 . 3 1 1 A 51 51 ASP N N 51 120.310 121.522 -1.212 1
1 558 . 3 1 1 A 52 52 ARG H H 52 8.784 8.384 0.400 1
1 559 . 3 1 1 A 52 52 ARG HA H 52 4.970 5.241 -0.271 1
1 566 . 3 1 1 A 52 52 ARG C C 52 174.757 174.628 0.129 1
1 567 . 3 1 1 A 52 52 ARG CA C 52 54.250 54.621 -0.371 1
1 568 . 3 1 1 A 52 52 ARG CB C 52 31.440 33.178 -1.738 1
1 571 . 3 1 1 A 52 52 ARG N N 52 123.348 122.841 0.507 1
1 572 . 3 1 1 A 53 53 TYR H H 53 8.850 9.453 -0.603 1
1 573 . 3 1 1 A 53 53 TYR HA H 53 4.806 5.277 -0.471 1
1 580 . 3 1 1 A 53 53 TYR C C 53 174.989 175.411 -0.422 1
1 581 . 3 1 1 A 53 53 TYR CA C 53 56.850 56.810 0.040 1
1 582 . 3 1 1 A 53 53 TYR CB C 53 41.480 41.965 -0.485 1
1 585 . 3 1 1 A 53 53 TYR N N 53 122.391 123.124 -0.733 1
1 586 . 3 1 1 A 54 54 ARG H H 54 9.387 9.069 0.318 1
1 587 . 3 1 1 A 54 54 ARG HA H 54 4.936 5.124 -0.188 1
1 594 . 3 1 1 A 54 54 ARG C C 54 174.076 174.580 -0.504 1
1 595 . 3 1 1 A 54 54 ARG CA C 54 55.100 54.784 0.316 1
1 596 . 3 1 1 A 54 54 ARG CB C 54 31.750 32.566 -0.816 1
1 599 . 3 1 1 A 54 54 ARG N N 54 120.797 120.852 -0.055 1
1 600 . 3 1 1 A 55 55 LEU H H 55 9.271 8.951 0.320 1
1 601 . 3 1 1 A 55 55 LEU HA H 55 5.237 4.945 0.292 1
1 611 . 3 1 1 A 55 55 LEU C C 55 174.841 175.596 -0.755 1
1 612 . 3 1 1 A 55 55 LEU CA C 55 53.590 54.483 -0.893 1
1 613 . 3 1 1 A 55 55 LEU CB C 55 43.470 43.353 0.117 1
1 617 . 3 1 1 A 55 55 LEU N N 55 128.735 127.881 0.854 1
1 618 . 3 1 1 A 56 56 ARG H H 56 9.000 9.126 -0.126 1
1 619 . 3 1 1 A 56 56 ARG HA H 56 5.110 5.160 -0.050 1
1 626 . 3 1 1 A 56 56 ARG C C 56 173.413 173.653 -0.240 1
1 627 . 3 1 1 A 56 56 ARG CA C 56 54.440 54.464 -0.024 1
1 628 . 3 1 1 A 56 56 ARG CB C 56 34.540 33.623 0.917 1
1 631 . 3 1 1 A 56 56 ARG N N 56 125.280 128.669 -3.389 1
1 632 . 3 1 1 A 57 57 LEU H H 57 7.631 8.578 -0.947 1
1 633 . 3 1 1 A 57 57 LEU HA H 57 4.667 4.894 -0.227 1
1 643 . 3 1 1 A 57 57 LEU C C 57 177.709 176.426 1.283 1
1 644 . 3 1 1 A 57 57 LEU CA C 57 52.710 52.837 -0.127 1
1 645 . 3 1 1 A 57 57 LEU CB C 57 42.480 44.762 -2.282 1
1 649 . 3 1 1 A 57 57 LEU N N 57 122.967 127.739 -4.772 1
1 650 . 3 1 1 A 58 58 THR H H 58 9.001 8.756 0.245 1
1 651 . 3 1 1 A 58 58 THR HA H 58 4.508 4.683 -0.175 1
1 656 . 3 1 1 A 58 58 THR CA C 58 60.440 60.168 0.272 1
1 657 . 3 1 1 A 58 58 THR CB C 58 71.960 71.687 0.273 1
1 659 . 3 1 1 A 58 58 THR N N 58 116.533 115.150 1.383 1
1 660 . 3 1 1 A 60 60 GLN HA H 60 4.433 4.585 -0.152 1
1 665 . 3 1 1 A 60 60 GLN C C 60 174.738 176.896 -2.158 1
1 666 . 3 1 1 A 60 60 GLN CA C 60 55.280 57.051 -1.771 1
1 667 . 3 1 1 A 60 60 GLN CB C 60 28.190 31.508 -3.318 1
1 669 . 3 1 1 A 61 61 ASN H H 61 8.333 8.431 -0.098 1
1 670 . 3 1 1 A 61 61 ASN HA H 61 4.262 4.456 -0.194 1
1 675 . 3 1 1 A 61 61 ASN C C 61 174.725 174.985 -0.260 1
1 676 . 3 1 1 A 61 61 ASN CA C 61 54.130 55.974 -1.844 1
1 677 . 3 1 1 A 61 61 ASN CB C 61 37.560 39.178 -1.618 1
1 678 . 3 1 1 A 61 61 ASN N N 61 116.480 117.753 -1.273 1
1 680 . 3 1 1 A 62 62 LYS H H 62 7.111 7.931 -0.820 1
1 681 . 3 1 1 A 62 62 LYS HA H 62 4.520 4.676 -0.156 1
1 690 . 3 1 1 A 62 62 LYS C C 62 174.057 174.037 0.020 1
1 691 . 3 1 1 A 62 62 LYS CA C 62 53.930 54.765 -0.835 1
1 692 . 3 1 1 A 62 62 LYS CB C 62 34.060 34.782 -0.722 1
1 696 . 3 1 1 A 62 62 LYS N N 62 116.535 113.974 2.561 1
1 697 . 3 1 1 A 63 63 LEU H H 63 6.706 8.496 -1.790 1
1 698 . 3 1 1 A 63 63 LEU HA H 63 5.093 5.261 -0.168 1
1 708 . 3 1 1 A 63 63 LEU C C 63 175.503 174.969 0.534 1
1 709 . 3 1 1 A 63 63 LEU CA C 63 53.330 52.722 0.608 1
1 710 . 3 1 1 A 63 63 LEU CB C 63 43.280 46.316 -3.036 1
1 714 . 3 1 1 A 63 63 LEU N N 63 119.236 113.849 5.387 1
1 715 . 3 1 1 A 64 64 ILE H H 64 8.471 8.867 -0.396 1
1 716 . 3 1 1 A 64 64 ILE HA H 64 4.429 4.920 -0.491 1
1 726 . 3 1 1 A 64 64 ILE C C 64 172.642 173.700 -1.058 1
1 727 . 3 1 1 A 64 64 ILE CA C 64 59.520 58.919 0.601 1
1 728 . 3 1 1 A 64 64 ILE CB C 64 42.740 42.075 0.665 1
1 732 . 3 1 1 A 64 64 ILE N N 64 116.258 114.231 2.027 1
1 733 . 3 1 1 A 65 65 LEU H H 65 8.429 8.827 -0.398 1
1 734 . 3 1 1 A 65 65 LEU HA H 65 5.543 5.175 0.368 1
1 744 . 3 1 1 A 65 65 LEU C C 65 176.050 174.840 1.210 1
1 745 . 3 1 1 A 65 65 LEU CA C 65 53.230 53.280 -0.050 1
1 746 . 3 1 1 A 65 65 LEU CB C 65 46.610 45.533 1.077 1
1 750 . 3 1 1 A 65 65 LEU N N 65 125.259 124.309 0.950 1
1 751 . 3 1 1 A 66 66 THR H H 66 9.302 8.577 0.725 1
1 752 . 3 1 1 A 66 66 THR HA H 66 4.905 4.825 0.080 1
1 757 . 3 1 1 A 66 66 THR C C 66 172.436 172.403 0.033 1
1 758 . 3 1 1 A 66 66 THR CA C 66 59.850 60.540 -0.690 1
1 759 . 3 1 1 A 66 66 THR CB C 66 71.650 69.674 1.976 1
1 761 . 3 1 1 A 66 66 THR N N 66 121.417 118.188 3.229 1
1 7 . 4 1 1 A 2 2 MET H H 2 8.334 8.835 -0.501 1
1 8 . 4 1 1 A 2 2 MET HA H 2 4.432 4.417 0.015 1
1 16 . 4 1 1 A 2 2 MET C C 2 176.391 174.702 1.689 1
1 17 . 4 1 1 A 2 2 MET CA C 2 55.880 55.490 0.390 1
1 18 . 4 1 1 A 2 2 MET CB C 2 32.400 32.995 -0.595 1
1 21 . 4 1 1 A 2 2 MET N N 2 121.118 126.014 -4.896 1
1 22 . 4 1 1 A 3 3 THR H H 3 8.177 8.825 -0.648 1
1 23 . 4 1 1 A 3 3 THR HA H 3 4.338 4.252 0.086 1
1 28 . 4 1 1 A 3 3 THR C C 3 174.455 174.731 -0.276 1
1 29 . 4 1 1 A 3 3 THR CA C 3 61.410 63.286 -1.876 1
1 30 . 4 1 1 A 3 3 THR CB C 3 69.710 68.035 1.675 1
1 32 . 4 1 1 A 3 3 THR N N 3 115.029 122.658 -7.629 1
1 33 . 4 1 1 A 4 4 ALA H H 4 8.429 8.930 -0.501 1
1 34 . 4 1 1 A 4 4 ALA HA H 4 4.303 4.191 0.112 1
1 38 . 4 1 1 A 4 4 ALA C C 4 178.127 177.862 0.265 1
1 39 . 4 1 1 A 4 4 ALA CA C 4 52.580 53.124 -0.544 1
1 40 . 4 1 1 A 4 4 ALA CB C 4 19.370 19.001 0.369 1
1 41 . 4 1 1 A 4 4 ALA N N 4 126.222 129.756 -3.534 1
1 42 . 4 1 1 A 5 5 SER H H 5 8.257 7.703 0.554 1
1 43 . 4 1 1 A 5 5 SER HA H 5 4.352 4.284 0.068 1
1 46 . 4 1 1 A 5 5 SER C C 5 174.687 173.230 1.457 1
1 47 . 4 1 1 A 5 5 SER CA C 5 58.790 59.764 -0.974 1
1 48 . 4 1 1 A 5 5 SER CB C 5 63.720 62.697 1.023 1
1 49 . 4 1 1 A 5 5 SER N N 5 114.762 116.621 -1.859 1
1 50 . 4 1 1 A 6 6 ASP H H 6 8.186 8.100 0.086 1
1 51 . 4 1 1 A 6 6 ASP HA H 6 4.547 5.075 -0.528 1
1 54 . 4 1 1 A 6 6 ASP C C 6 176.423 176.062 0.361 1
1 55 . 4 1 1 A 6 6 ASP CA C 6 54.760 52.246 2.514 1
1 56 . 4 1 1 A 6 6 ASP CB C 6 41.110 43.968 -2.858 1
1 57 . 4 1 1 A 6 6 ASP N N 6 122.104 127.181 -5.077 1
1 58 . 4 1 1 A 7 7 ARG H H 7 8.063 8.961 -0.898 1
1 59 . 4 1 1 A 7 7 ARG HA H 7 4.276 4.139 0.137 1
1 66 . 4 1 1 A 7 7 ARG C C 7 176.455 176.530 -0.075 1
1 67 . 4 1 1 A 7 7 ARG CA C 7 56.310 56.348 -0.038 1
1 68 . 4 1 1 A 7 7 ARG CB C 7 30.470 30.822 -0.352 1
1 71 . 4 1 1 A 7 7 ARG N N 7 120.343 123.789 -3.446 1
1 72 . 4 1 1 A 8 8 LEU H H 8 8.157 8.269 -0.112 1
1 73 . 4 1 1 A 8 8 LEU HA H 8 4.288 3.981 0.307 1
1 83 . 4 1 1 A 8 8 LEU C C 8 177.940 177.036 0.904 1
1 84 . 4 1 1 A 8 8 LEU CA C 8 55.630 57.600 -1.970 1
1 85 . 4 1 1 A 8 8 LEU CB C 8 42.540 40.411 2.129 1
1 89 . 4 1 1 A 8 8 LEU N N 8 122.546 118.205 4.341 1
1 90 . 4 1 1 A 9 9 GLY H H 9 8.290 8.579 -0.289 1
1 91 . 4 1 1 A 9 9 GLY HA2 H 9 3.896 3.915 -0.019 1
1 92 . 4 1 1 A 9 9 GLY HA3 H 9 3.896 3.915 -0.019 1
1 93 . 4 1 1 A 9 9 GLY C C 9 173.664 175.631 -1.967 1
1 94 . 4 1 1 A 9 9 GLY CA C 9 45.320 46.695 -1.375 1
1 95 . 4 1 1 A 9 9 GLY N N 9 109.549 106.834 2.715 1
1 96 . 4 1 1 A 10 10 ALA H H 10 7.980 8.144 -0.164 1
1 97 . 4 1 1 A 10 10 ALA HA H 10 4.276 4.327 -0.051 1
1 101 . 4 1 1 A 10 10 ALA C C 10 177.182 177.013 0.169 1
1 102 . 4 1 1 A 10 10 ALA CA C 10 52.130 51.795 0.335 1
1 103 . 4 1 1 A 10 10 ALA CB C 10 19.460 19.129 0.331 1
1 104 . 4 1 1 A 10 10 ALA N N 10 123.266 121.166 2.100 1
1 105 . 4 1 1 A 11 11 ASP H H 11 8.292 7.445 0.847 1
1 106 . 4 1 1 A 11 11 ASP HA H 11 4.840 4.701 0.139 1
1 109 . 4 1 1 A 11 11 ASP CA C 11 51.950 52.629 -0.679 1
1 110 . 4 1 1 A 11 11 ASP CB C 11 41.320 40.790 0.530 1
1 111 . 4 1 1 A 11 11 ASP N N 11 120.930 121.190 -0.260 1
1 112 . 4 1 1 A 12 12 PRO HA H 12 4.450 4.531 -0.081 1
1 119 . 4 1 1 A 12 12 PRO C C 12 177.670 175.939 1.731 1
1 120 . 4 1 1 A 12 12 PRO CA C 12 63.940 62.833 1.107 1
1 121 . 4 1 1 A 12 12 PRO CB C 12 32.180 31.977 0.203 1
1 124 . 4 1 1 A 13 13 THR H H 13 8.304 8.535 -0.231 1
1 125 . 4 1 1 A 13 13 THR HA H 13 4.234 4.462 -0.228 1
1 130 . 4 1 1 A 13 13 THR C C 13 175.085 174.125 0.960 1
1 131 . 4 1 1 A 13 13 THR CA C 13 62.770 61.825 0.945 1
1 132 . 4 1 1 A 13 13 THR CB C 13 69.509 69.153 0.356 1
1 134 . 4 1 1 A 13 13 THR N N 13 112.749 117.756 -5.007 1
1 135 . 4 1 1 A 14 14 GLN H H 14 7.963 8.582 -0.619 1
1 136 . 4 1 1 A 14 14 GLN HA H 14 4.282 4.507 -0.225 1
1 141 . 4 1 1 A 14 14 GLN C C 14 175.773 174.951 0.822 1
1 142 . 4 1 1 A 14 14 GLN CA C 14 55.770 55.904 -0.134 1
1 143 . 4 1 1 A 14 14 GLN CB C 14 29.440 28.994 0.446 1
1 145 . 4 1 1 A 14 14 GLN N N 14 121.849 126.777 -4.928 1
1 146 . 4 1 1 A 15 15 ALA H H 15 8.150 8.657 -0.507 1
1 147 . 4 1 1 A 15 15 ALA HA H 15 4.237 4.747 -0.510 1
1 151 . 4 1 1 A 15 15 ALA C C 15 177.587 176.711 0.876 1
1 152 . 4 1 1 A 15 15 ALA CA C 15 52.750 51.323 1.427 1
1 153 . 4 1 1 A 15 15 ALA CB C 15 19.180 19.718 -0.538 1
1 154 . 4 1 1 A 15 15 ALA N N 15 125.125 128.593 -3.468 1
1 155 . 4 1 1 A 16 16 ALA H H 16 8.234 8.525 -0.291 1
1 156 . 4 1 1 A 16 16 ALA HA H 16 4.291 4.584 -0.293 1
1 160 . 4 1 1 A 16 16 ALA C C 16 177.741 177.478 0.263 1
1 161 . 4 1 1 A 16 16 ALA CA C 16 52.410 51.647 0.763 1
1 162 . 4 1 1 A 16 16 ALA CB C 16 19.130 19.658 -0.528 1
1 163 . 4 1 1 A 16 16 ALA N N 16 123.189 126.767 -3.578 1
1 164 . 4 1 1 A 17 17 SER H H 17 8.162 8.602 -0.440 1
1 165 . 4 1 1 A 17 17 SER HA H 17 4.431 4.462 -0.031 1
1 168 . 4 1 1 A 17 17 SER CA C 17 58.160 59.832 -1.672 1
1 169 . 4 1 1 A 17 17 SER CB C 17 64.030 62.954 1.076 1
1 170 . 4 1 1 A 17 17 SER N N 17 114.762 118.980 -4.218 1
1 171 . 4 1 1 A 18 18 SER H H 18 8.246 8.127 0.119 1
1 172 . 4 1 1 A 18 18 SER HA H 18 4.747 5.021 -0.274 1
1 173 . 4 1 1 A 18 18 SER CA C 18 58.640 56.282 2.358 1
1 174 . 4 1 1 A 18 18 SER N N 18 118.482 120.959 -2.477 1
1 175 . 4 1 1 A 19 19 PRO HA H 19 4.426 4.762 -0.336 1
1 182 . 4 1 1 A 19 19 PRO CA C 19 63.790 62.305 1.485 1
1 183 . 4 1 1 A 19 19 PRO CB C 19 32.220 33.106 -0.886 1
1 186 . 4 1 1 A 20 20 GLY H H 20 8.452 8.316 0.136 1
1 187 . 4 1 1 A 20 20 GLY HA2 H 20 3.938 4.246 -0.308 1
1 188 . 4 1 1 A 20 20 GLY HA3 H 20 3.938 4.247 -0.309 1
1 189 . 4 1 1 A 20 20 GLY C C 20 174.674 172.276 2.398 1
1 190 . 4 1 1 A 20 20 GLY CA C 20 45.330 45.127 0.203 1
1 191 . 4 1 1 A 20 20 GLY N N 20 109.329 106.497 2.832 1
1 192 . 4 1 1 A 21 21 GLY H H 21 8.217 9.021 -0.804 1
1 193 . 4 1 1 A 21 21 GLY HA2 H 21 3.946 4.225 -0.279 1
1 194 . 4 1 1 A 21 21 GLY HA3 H 21 3.946 4.226 -0.280 1
1 195 . 4 1 1 A 21 21 GLY C C 21 173.555 172.204 1.351 1
1 196 . 4 1 1 A 21 21 GLY CA C 21 45.390 45.386 0.004 1
1 197 . 4 1 1 A 21 21 GLY N N 21 108.749 112.206 -3.457 1
1 198 . 4 1 1 A 22 22 ALA H H 22 8.147 8.907 -0.760 1
1 199 . 4 1 1 A 22 22 ALA HA H 22 4.866 5.338 -0.472 1
1 203 . 4 1 1 A 22 22 ALA C C 22 176.931 176.197 0.734 1
1 204 . 4 1 1 A 22 22 ALA CA C 22 51.910 50.508 1.402 1
1 205 . 4 1 1 A 22 22 ALA CB C 22 20.490 21.293 -0.803 1
1 206 . 4 1 1 A 22 22 ALA N N 22 124.041 128.083 -4.042 1
1 207 . 4 1 1 A 23 23 ARG H H 23 8.699 8.996 -0.297 1
1 208 . 4 1 1 A 23 23 ARG HA H 23 4.641 5.006 -0.365 1
1 215 . 4 1 1 A 23 23 ARG C C 23 173.587 174.523 -0.936 1
1 216 . 4 1 1 A 23 23 ARG CA C 23 55.000 54.537 0.463 1
1 217 . 4 1 1 A 23 23 ARG CB C 23 32.420 33.512 -1.092 1
1 220 . 4 1 1 A 23 23 ARG N N 23 120.753 120.734 0.019 1
1 221 . 4 1 1 A 24 24 ALA H H 24 8.408 8.869 -0.461 1
1 222 . 4 1 1 A 24 24 ALA HA H 24 5.145 5.215 -0.070 1
1 226 . 4 1 1 A 24 24 ALA C C 24 177.092 176.484 0.608 1
1 227 . 4 1 1 A 24 24 ALA CA C 24 51.160 50.336 0.824 1
1 228 . 4 1 1 A 24 24 ALA CB C 24 21.490 20.990 0.500 1
1 229 . 4 1 1 A 24 24 ALA N N 24 124.606 124.384 0.222 1
1 230 . 4 1 1 A 25 25 VAL H H 25 8.842 8.867 -0.025 1
1 231 . 4 1 1 A 25 25 VAL HA H 25 4.411 4.892 -0.481 1
1 239 . 4 1 1 A 25 25 VAL C C 25 174.558 175.346 -0.788 1
1 240 . 4 1 1 A 25 25 VAL CA C 25 60.160 59.702 0.458 1
1 241 . 4 1 1 A 25 25 VAL CB C 25 34.450 34.105 0.345 1
1 244 . 4 1 1 A 25 25 VAL N N 25 120.299 119.444 0.855 1
1 245 . 4 1 1 A 26 26 SER H H 26 8.744 9.071 -0.327 1
1 246 . 4 1 1 A 26 26 SER HA H 26 4.747 5.370 -0.623 1
1 249 . 4 1 1 A 26 26 SER C C 26 173.304 174.180 -0.876 1
1 250 . 4 1 1 A 26 26 SER CA C 26 58.720 55.839 2.881 1
1 251 . 4 1 1 A 26 26 SER CB C 26 63.910 66.347 -2.437 1
1 252 . 4 1 1 A 26 26 SER N N 26 121.229 118.484 2.745 1
1 253 . 4 1 1 A 27 27 ILE H H 27 8.716 8.892 -0.176 1
1 254 . 4 1 1 A 27 27 ILE HA H 27 4.360 4.822 -0.462 1
1 264 . 4 1 1 A 27 27 ILE C C 27 175.478 174.403 1.075 1
1 265 . 4 1 1 A 27 27 ILE CA C 27 60.670 60.367 0.303 1
1 266 . 4 1 1 A 27 27 ILE CB C 27 39.210 40.858 -1.648 1
1 270 . 4 1 1 A 27 27 ILE N N 27 124.450 121.856 2.594 1
1 271 . 4 1 1 A 28 28 VAL H H 28 8.426 8.707 -0.281 1
1 272 . 4 1 1 A 28 28 VAL HA H 28 4.298 4.655 -0.357 1
1 280 . 4 1 1 A 28 28 VAL CA C 28 61.850 60.772 1.078 1
1 281 . 4 1 1 A 28 28 VAL CB C 28 32.790 33.000 -0.210 1
1 284 . 4 1 1 A 28 28 VAL N N 28 128.723 124.030 4.693 1
1 285 . 4 1 1 A 29 29 GLY H H 29 8.953 8.979 -0.026 1
1 286 . 4 1 1 A 29 29 GLY HA2 H 29 3.988 3.868 0.120 1
1 287 . 4 1 1 A 29 29 GLY HA3 H 29 3.725 3.869 -0.144 1
1 288 . 4 1 1 A 29 29 GLY C C 29 176.487 174.357 2.130 1
1 289 . 4 1 1 A 29 29 GLY CA C 29 47.610 47.197 0.413 1
1 290 . 4 1 1 A 29 29 GLY N N 29 120.095 115.262 4.833 1
1 291 . 4 1 1 A 30 30 ASN H H 30 8.566 8.137 0.429 1
1 292 . 4 1 1 A 30 30 ASN HA H 30 4.422 4.945 -0.523 1
1 297 . 4 1 1 A 30 30 ASN C C 30 172.841 174.353 -1.512 1
1 298 . 4 1 1 A 30 30 ASN CA C 30 53.100 52.410 0.690 1
1 299 . 4 1 1 A 30 30 ASN CB C 30 38.630 39.725 -1.095 1
1 300 . 4 1 1 A 30 30 ASN N N 30 120.808 118.851 1.957 1
1 302 . 4 1 1 A 31 31 GLN H H 31 7.713 7.340 0.373 1
1 303 . 4 1 1 A 31 31 GLN HA H 31 5.672 5.083 0.589 1
1 310 . 4 1 1 A 31 31 GLN C C 31 174.828 173.616 1.212 1
1 311 . 4 1 1 A 31 31 GLN CA C 31 54.730 54.337 0.393 1
1 312 . 4 1 1 A 31 31 GLN CB C 31 32.800 32.433 0.367 1
1 314 . 4 1 1 A 31 31 GLN N N 31 118.262 120.155 -1.893 1
1 316 . 4 1 1 A 32 32 ILE H H 32 9.113 9.011 0.102 1
1 317 . 4 1 1 A 32 32 ILE HA H 32 4.454 4.926 -0.472 1
1 327 . 4 1 1 A 32 32 ILE C C 32 173.439 172.730 0.709 1
1 328 . 4 1 1 A 32 32 ILE CA C 32 59.610 59.269 0.341 1
1 329 . 4 1 1 A 32 32 ILE CB C 32 42.350 42.279 0.071 1
1 333 . 4 1 1 A 32 32 ILE N N 32 124.849 124.466 0.383 1
1 334 . 4 1 1 A 33 33 ASP H H 33 9.066 8.635 0.431 1
1 335 . 4 1 1 A 33 33 ASP HA H 33 5.077 4.838 0.239 1
1 338 . 4 1 1 A 33 33 ASP C C 33 178.378 176.981 1.397 1
1 339 . 4 1 1 A 33 33 ASP CA C 33 53.460 54.674 -1.214 1
1 340 . 4 1 1 A 33 33 ASP CB C 33 43.180 43.091 0.089 1
1 341 . 4 1 1 A 33 33 ASP N N 33 127.594 127.841 -0.247 1
1 342 . 4 1 1 A 34 34 SER H H 34 9.524 9.168 0.356 1
1 343 . 4 1 1 A 34 34 SER HA H 34 3.902 4.191 -0.289 1
1 346 . 4 1 1 A 34 34 SER C C 34 175.876 176.983 -1.107 1
1 347 . 4 1 1 A 34 34 SER CA C 34 61.980 61.447 0.533 1
1 348 . 4 1 1 A 34 34 SER CB C 34 61.510 62.766 -1.256 1
1 349 . 4 1 1 A 34 34 SER N N 34 125.026 122.397 2.629 1
1 350 . 4 1 1 A 35 35 ARG H H 35 9.022 7.905 1.117 1
1 351 . 4 1 1 A 35 35 ARG HA H 35 4.235 4.064 0.171 1
1 358 . 4 1 1 A 35 35 ARG C C 35 178.661 178.538 0.123 1
1 359 . 4 1 1 A 35 35 ARG CA C 35 58.840 59.400 -0.560 1
1 360 . 4 1 1 A 35 35 ARG CB C 35 29.970 29.802 0.168 1
1 363 . 4 1 1 A 35 35 ARG N N 35 122.601 122.677 -0.076 1
1 364 . 4 1 1 A 36 36 GLU H H 36 7.689 7.809 -0.120 1
1 365 . 4 1 1 A 36 36 GLU HA H 36 4.202 4.016 0.186 1
1 370 . 4 1 1 A 36 36 GLU C C 36 177.285 179.159 -1.874 1
1 371 . 4 1 1 A 36 36 GLU CA C 36 57.340 58.681 -1.341 1
1 372 . 4 1 1 A 36 36 GLU CB C 36 30.910 29.228 1.682 1
1 374 . 4 1 1 A 36 36 GLU N N 36 115.420 118.887 -3.467 1
1 375 . 4 1 1 A 37 37 LEU H H 37 7.280 8.015 -0.735 1
1 376 . 4 1 1 A 37 37 LEU HA H 37 3.805 3.893 -0.088 1
1 386 . 4 1 1 A 37 37 LEU C C 37 176.410 177.855 -1.445 1
1 387 . 4 1 1 A 37 37 LEU CA C 37 56.790 57.714 -0.924 1
1 388 . 4 1 1 A 37 37 LEU CB C 37 42.510 41.496 1.014 1
1 392 . 4 1 1 A 37 37 LEU N N 37 117.043 119.742 -2.699 1
1 393 . 4 1 1 A 38 38 PHE H H 38 7.431 7.896 -0.465 1
1 394 . 4 1 1 A 38 38 PHE HA H 38 4.884 5.020 -0.136 1
1 402 . 4 1 1 A 38 38 PHE C C 38 176.018 176.123 -0.105 1
1 403 . 4 1 1 A 38 38 PHE CA C 38 57.320 58.200 -0.880 1
1 404 . 4 1 1 A 38 38 PHE CB C 38 38.500 38.342 0.158 1
1 408 . 4 1 1 A 38 38 PHE N N 38 115.439 115.377 0.062 1
1 409 . 4 1 1 A 39 39 THR H H 39 7.632 7.699 -0.067 1
1 410 . 4 1 1 A 39 39 THR HA H 39 4.256 4.121 0.135 1
1 415 . 4 1 1 A 39 39 THR C C 39 175.986 175.853 0.133 1
1 416 . 4 1 1 A 39 39 THR CA C 39 62.630 64.993 -2.363 1
1 417 . 4 1 1 A 39 39 THR CB C 39 69.240 68.719 0.521 1
1 419 . 4 1 1 A 39 39 THR N N 39 112.395 115.541 -3.146 1
1 420 . 4 1 1 A 40 40 VAL H H 40 8.246 8.343 -0.097 1
1 421 . 4 1 1 A 40 40 VAL HA H 40 4.121 4.505 -0.384 1
1 429 . 4 1 1 A 40 40 VAL C C 40 175.233 174.889 0.344 1
1 430 . 4 1 1 A 40 40 VAL CA C 40 63.340 63.227 0.113 1
1 431 . 4 1 1 A 40 40 VAL CB C 40 32.870 35.013 -2.143 1
1 434 . 4 1 1 A 40 40 VAL N N 40 118.329 119.101 -0.772 1
1 435 . 4 1 1 A 41 41 ASP H H 41 8.048 7.921 0.127 1
1 436 . 4 1 1 A 41 41 ASP HA H 41 4.792 4.957 -0.165 1
1 439 . 4 1 1 A 41 41 ASP CA C 41 53.950 53.354 0.596 1
1 440 . 4 1 1 A 41 41 ASP CB C 41 43.630 41.664 1.966 1
1 441 . 4 1 1 A 41 41 ASP N N 41 120.465 120.120 0.345 1
1 442 . 4 1 1 A 42 42 ARG H H 42 8.639 8.969 -0.330 1
1 443 . 4 1 1 A 42 42 ARG HA H 42 4.157 4.353 -0.196 1
1 450 . 4 1 1 A 42 42 ARG C C 42 173.606 175.664 -2.058 1
1 451 . 4 1 1 A 42 42 ARG CA C 42 56.340 57.922 -1.582 1
1 452 . 4 1 1 A 42 42 ARG CB C 42 29.930 30.227 -0.297 1
1 455 . 4 1 1 A 42 42 ARG N N 42 116.578 126.736 -10.158 1
1 456 . 4 1 1 A 43 43 GLU H H 43 7.452 7.863 -0.411 1
1 457 . 4 1 1 A 43 43 GLU HA H 43 5.413 5.180 0.233 1
1 462 . 4 1 1 A 43 43 GLU C C 43 174.192 174.390 -0.198 1
1 463 . 4 1 1 A 43 43 GLU CA C 43 55.100 55.676 -0.576 1
1 464 . 4 1 1 A 43 43 GLU CB C 43 34.110 33.340 0.770 1
1 466 . 4 1 1 A 43 43 GLU N N 43 116.369 118.215 -1.846 1
1 467 . 4 1 1 A 44 44 ILE H H 44 9.056 9.414 -0.358 1
1 468 . 4 1 1 A 44 44 ILE HA H 44 4.696 4.957 -0.261 1
1 478 . 4 1 1 A 44 44 ILE C C 44 173.831 174.805 -0.974 1
1 479 . 4 1 1 A 44 44 ILE CA C 44 58.070 59.736 -1.666 1
1 480 . 4 1 1 A 44 44 ILE CB C 44 41.140 42.515 -1.375 1
1 484 . 4 1 1 A 44 44 ILE N N 44 123.963 126.643 -2.680 1
1 485 . 4 1 1 A 45 45 VAL H H 45 8.740 9.041 -0.301 1
1 486 . 4 1 1 A 45 45 VAL HA H 45 4.850 4.972 -0.122 1
1 494 . 4 1 1 A 45 45 VAL C C 45 175.175 174.942 0.233 1
1 495 . 4 1 1 A 45 45 VAL CA C 45 60.990 61.375 -0.385 1
1 496 . 4 1 1 A 45 45 VAL CB C 45 33.810 32.696 1.114 1
1 499 . 4 1 1 A 45 45 VAL N N 45 126.299 126.861 -0.562 1
1 500 . 4 1 1 A 46 46 ILE H H 46 9.367 8.973 0.394 1
1 501 . 4 1 1 A 46 46 ILE HA H 46 4.830 4.564 0.266 1
1 511 . 4 1 1 A 46 46 ILE C C 46 175.433 175.492 -0.059 1
1 512 . 4 1 1 A 46 46 ILE CA C 46 59.350 60.493 -1.143 1
1 513 . 4 1 1 A 46 46 ILE CB C 46 39.410 37.608 1.802 1
1 517 . 4 1 1 A 46 46 ILE N N 46 126.797 128.846 -2.049 1
1 518 . 4 1 1 A 47 47 ALA H H 47 9.173 8.794 0.379 1
1 519 . 4 1 1 A 47 47 ALA HA H 47 4.790 5.084 -0.294 1
1 523 . 4 1 1 A 47 47 ALA C C 47 175.394 176.730 -1.336 1
1 524 . 4 1 1 A 47 47 ALA CA C 47 51.500 51.659 -0.159 1
1 525 . 4 1 1 A 47 47 ALA CB C 47 19.020 20.422 -1.402 1
1 526 . 4 1 1 A 47 47 ALA N N 47 131.668 131.486 0.182 1
1 527 . 4 1 1 A 48 48 HIS H H 48 8.473 9.225 -0.752 1
1 528 . 4 1 1 A 48 48 HIS HA H 48 5.394 4.941 0.453 1
1 533 . 4 1 1 A 48 48 HIS C C 48 175.182 175.095 0.087 1
1 534 . 4 1 1 A 48 48 HIS CA C 48 54.520 55.503 -0.983 1
1 535 . 4 1 1 A 48 48 HIS CB C 48 33.190 32.348 0.842 1
1 538 . 4 1 1 A 48 48 HIS N N 48 126.144 122.469 3.675 1
1 539 . 4 1 1 A 49 49 GLY H H 49 8.847 8.870 -0.023 1
1 540 . 4 1 1 A 49 49 GLY HA2 H 49 3.795 3.610 0.185 1
1 541 . 4 1 1 A 49 49 GLY HA3 H 49 3.549 3.620 -0.071 1
1 542 . 4 1 1 A 49 49 GLY CA C 49 46.950 47.122 -0.172 1
1 543 . 4 1 1 A 49 49 GLY N N 49 117.318 116.139 1.179 1
1 544 . 4 1 1 A 50 50 ASP HA H 50 4.639 4.670 -0.031 1
1 547 . 4 1 1 A 50 50 ASP C C 50 175.825 175.635 0.190 1
1 548 . 4 1 1 A 50 50 ASP CA C 50 55.070 54.695 0.375 1
1 549 . 4 1 1 A 50 50 ASP CB C 50 31.070 42.174 -11.104 1
1 550 . 4 1 1 A 51 51 ASP H H 51 8.166 7.456 0.710 1
1 551 . 4 1 1 A 51 51 ASP HA H 51 4.810 5.001 -0.191 1
1 554 . 4 1 1 A 51 51 ASP C C 51 176.635 174.817 1.818 1
1 555 . 4 1 1 A 51 51 ASP CA C 51 53.950 52.840 1.110 1
1 556 . 4 1 1 A 51 51 ASP CB C 51 43.250 43.018 0.232 1
1 557 . 4 1 1 A 51 51 ASP N N 51 120.310 119.179 1.131 1
1 558 . 4 1 1 A 52 52 ARG H H 52 8.784 8.424 0.360 1
1 559 . 4 1 1 A 52 52 ARG HA H 52 4.970 5.329 -0.359 1
1 566 . 4 1 1 A 52 52 ARG C C 52 174.757 174.527 0.230 1
1 567 . 4 1 1 A 52 52 ARG CA C 52 54.250 54.522 -0.272 1
1 568 . 4 1 1 A 52 52 ARG CB C 52 31.440 34.066 -2.626 1
1 571 . 4 1 1 A 52 52 ARG N N 52 123.348 118.916 4.432 1
1 572 . 4 1 1 A 53 53 TYR H H 53 8.850 9.561 -0.711 1
1 573 . 4 1 1 A 53 53 TYR HA H 53 4.806 5.229 -0.423 1
1 580 . 4 1 1 A 53 53 TYR C C 53 174.989 175.429 -0.440 1
1 581 . 4 1 1 A 53 53 TYR CA C 53 56.850 56.923 -0.073 1
1 582 . 4 1 1 A 53 53 TYR CB C 53 41.480 41.856 -0.376 1
1 585 . 4 1 1 A 53 53 TYR N N 53 122.391 123.056 -0.665 1
1 586 . 4 1 1 A 54 54 ARG H H 54 9.387 8.955 0.432 1
1 587 . 4 1 1 A 54 54 ARG HA H 54 4.936 5.182 -0.246 1
1 594 . 4 1 1 A 54 54 ARG C C 54 174.076 174.386 -0.310 1
1 595 . 4 1 1 A 54 54 ARG CA C 54 55.100 54.895 0.205 1
1 596 . 4 1 1 A 54 54 ARG CB C 54 31.750 32.152 -0.402 1
1 599 . 4 1 1 A 54 54 ARG N N 54 120.797 121.176 -0.379 1
1 600 . 4 1 1 A 55 55 LEU H H 55 9.271 9.092 0.179 1
1 601 . 4 1 1 A 55 55 LEU HA H 55 5.237 5.255 -0.018 1
1 611 . 4 1 1 A 55 55 LEU C C 55 174.841 175.656 -0.815 1
1 612 . 4 1 1 A 55 55 LEU CA C 55 53.590 54.354 -0.764 1
1 613 . 4 1 1 A 55 55 LEU CB C 55 43.470 43.553 -0.083 1
1 617 . 4 1 1 A 55 55 LEU N N 55 128.735 127.670 1.065 1
1 618 . 4 1 1 A 56 56 ARG H H 56 9.000 9.293 -0.293 1
1 619 . 4 1 1 A 56 56 ARG HA H 56 5.110 5.137 -0.027 1
1 626 . 4 1 1 A 56 56 ARG C C 56 173.413 173.300 0.113 1
1 627 . 4 1 1 A 56 56 ARG CA C 56 54.440 54.404 0.036 1
1 628 . 4 1 1 A 56 56 ARG CB C 56 34.540 33.858 0.682 1
1 631 . 4 1 1 A 56 56 ARG N N 56 125.280 128.466 -3.186 1
1 632 . 4 1 1 A 57 57 LEU H H 57 7.631 8.912 -1.281 1
1 633 . 4 1 1 A 57 57 LEU HA H 57 4.667 4.774 -0.107 1
1 643 . 4 1 1 A 57 57 LEU C C 57 177.709 175.890 1.819 1
1 644 . 4 1 1 A 57 57 LEU CA C 57 52.710 53.038 -0.328 1
1 645 . 4 1 1 A 57 57 LEU CB C 57 42.480 44.506 -2.026 1
1 649 . 4 1 1 A 57 57 LEU N N 57 122.967 127.438 -4.471 1
1 650 . 4 1 1 A 58 58 THR H H 58 9.001 8.885 0.116 1
1 651 . 4 1 1 A 58 58 THR HA H 58 4.508 4.772 -0.264 1
1 656 . 4 1 1 A 58 58 THR CA C 58 60.440 59.863 0.577 1
1 657 . 4 1 1 A 58 58 THR CB C 58 71.960 71.624 0.336 1
1 659 . 4 1 1 A 58 58 THR N N 58 116.533 115.539 0.994 1
1 660 . 4 1 1 A 60 60 GLN HA H 60 4.433 4.572 -0.139 1
1 665 . 4 1 1 A 60 60 GLN C C 60 174.738 176.961 -2.223 1
1 666 . 4 1 1 A 60 60 GLN CA C 60 55.280 55.070 0.210 1
1 667 . 4 1 1 A 60 60 GLN CB C 60 28.190 30.766 -2.576 1
1 669 . 4 1 1 A 61 61 ASN H H 61 8.333 8.304 0.029 1
1 670 . 4 1 1 A 61 61 ASN HA H 61 4.262 4.560 -0.298 1
1 675 . 4 1 1 A 61 61 ASN C C 61 174.725 175.753 -1.028 1
1 676 . 4 1 1 A 61 61 ASN CA C 61 54.130 55.542 -1.412 1
1 677 . 4 1 1 A 61 61 ASN CB C 61 37.560 38.682 -1.122 1
1 678 . 4 1 1 A 61 61 ASN N N 61 116.480 118.353 -1.873 1
1 680 . 4 1 1 A 62 62 LYS H H 62 7.111 7.870 -0.759 1
1 681 . 4 1 1 A 62 62 LYS HA H 62 4.520 4.723 -0.203 1
1 690 . 4 1 1 A 62 62 LYS C C 62 174.057 174.152 -0.095 1
1 691 . 4 1 1 A 62 62 LYS CA C 62 53.930 54.924 -0.994 1
1 692 . 4 1 1 A 62 62 LYS CB C 62 34.060 35.221 -1.161 1
1 696 . 4 1 1 A 62 62 LYS N N 62 116.535 112.856 3.679 1
1 697 . 4 1 1 A 63 63 LEU H H 63 6.706 8.546 -1.840 1
1 698 . 4 1 1 A 63 63 LEU HA H 63 5.093 5.388 -0.295 1
1 708 . 4 1 1 A 63 63 LEU C C 63 175.503 174.841 0.662 1
1 709 . 4 1 1 A 63 63 LEU CA C 63 53.330 52.854 0.476 1
1 710 . 4 1 1 A 63 63 LEU CB C 63 43.280 46.418 -3.138 1
1 714 . 4 1 1 A 63 63 LEU N N 63 119.236 114.687 4.549 1
1 715 . 4 1 1 A 64 64 ILE H H 64 8.471 8.862 -0.391 1
1 716 . 4 1 1 A 64 64 ILE HA H 64 4.429 4.989 -0.560 1
1 726 . 4 1 1 A 64 64 ILE C C 64 172.642 173.654 -1.012 1
1 727 . 4 1 1 A 64 64 ILE CA C 64 59.520 58.983 0.537 1
1 728 . 4 1 1 A 64 64 ILE CB C 64 42.740 42.322 0.418 1
1 732 . 4 1 1 A 64 64 ILE N N 64 116.258 113.210 3.048 1
1 733 . 4 1 1 A 65 65 LEU H H 65 8.429 8.836 -0.407 1
1 734 . 4 1 1 A 65 65 LEU HA H 65 5.543 5.528 0.015 1
1 744 . 4 1 1 A 65 65 LEU C C 65 176.050 174.713 1.337 1
1 745 . 4 1 1 A 65 65 LEU CA C 65 53.230 53.827 -0.597 1
1 746 . 4 1 1 A 65 65 LEU CB C 65 46.610 45.224 1.386 1
1 750 . 4 1 1 A 65 65 LEU N N 65 125.259 123.992 1.267 1
1 751 . 4 1 1 A 66 66 THR H H 66 9.302 9.166 0.136 1
1 752 . 4 1 1 A 66 66 THR HA H 66 4.905 5.210 -0.305 1
1 757 . 4 1 1 A 66 66 THR C C 66 172.436 172.410 0.026 1
1 758 . 4 1 1 A 66 66 THR CA C 66 59.850 59.822 0.028 1
1 759 . 4 1 1 A 66 66 THR CB C 66 71.650 71.680 -0.030 1
1 761 . 4 1 1 A 66 66 THR N N 66 121.417 119.983 1.434 1
1 7 . 5 1 1 A 2 2 MET H H 2 8.334 8.571 -0.237 1
1 8 . 5 1 1 A 2 2 MET HA H 2 4.432 4.851 -0.419 1
1 16 . 5 1 1 A 2 2 MET C C 2 176.391 174.945 1.446 1
1 17 . 5 1 1 A 2 2 MET CA C 2 55.880 54.939 0.941 1
1 18 . 5 1 1 A 2 2 MET CB C 2 32.400 32.559 -0.159 1
1 21 . 5 1 1 A 2 2 MET N N 2 121.118 120.371 0.747 1
1 22 . 5 1 1 A 3 3 THR H H 3 8.177 8.824 -0.647 1
1 23 . 5 1 1 A 3 3 THR HA H 3 4.338 4.386 -0.048 1
1 28 . 5 1 1 A 3 3 THR C C 3 174.455 173.483 0.972 1
1 29 . 5 1 1 A 3 3 THR CA C 3 61.410 62.370 -0.960 1
1 30 . 5 1 1 A 3 3 THR CB C 3 69.710 67.213 2.497 1
1 32 . 5 1 1 A 3 3 THR N N 3 115.029 119.024 -3.995 1
1 33 . 5 1 1 A 4 4 ALA H H 4 8.429 8.306 0.123 1
1 34 . 5 1 1 A 4 4 ALA HA H 4 4.303 4.315 -0.012 1
1 38 . 5 1 1 A 4 4 ALA C C 4 178.127 177.639 0.488 1
1 39 . 5 1 1 A 4 4 ALA CA C 4 52.580 51.723 0.857 1
1 40 . 5 1 1 A 4 4 ALA CB C 4 19.370 18.024 1.346 1
1 41 . 5 1 1 A 4 4 ALA N N 4 126.222 131.028 -4.806 1
1 42 . 5 1 1 A 5 5 SER H H 5 8.257 8.400 -0.143 1
1 43 . 5 1 1 A 5 5 SER HA H 5 4.352 4.477 -0.125 1
1 46 . 5 1 1 A 5 5 SER C C 5 174.687 173.981 0.706 1
1 47 . 5 1 1 A 5 5 SER CA C 5 58.790 57.523 1.267 1
1 48 . 5 1 1 A 5 5 SER CB C 5 63.720 62.539 1.181 1
1 49 . 5 1 1 A 5 5 SER N N 5 114.762 116.640 -1.878 1
1 50 . 5 1 1 A 6 6 ASP H H 6 8.186 8.050 0.136 1
1 51 . 5 1 1 A 6 6 ASP HA H 6 4.547 4.704 -0.157 1
1 54 . 5 1 1 A 6 6 ASP C C 6 176.423 175.913 0.510 1
1 55 . 5 1 1 A 6 6 ASP CA C 6 54.760 54.669 0.091 1
1 56 . 5 1 1 A 6 6 ASP CB C 6 41.110 41.802 -0.692 1
1 57 . 5 1 1 A 6 6 ASP N N 6 122.104 122.310 -0.206 1
1 58 . 5 1 1 A 7 7 ARG H H 7 8.063 8.917 -0.854 1
1 59 . 5 1 1 A 7 7 ARG HA H 7 4.276 5.072 -0.796 1
1 66 . 5 1 1 A 7 7 ARG C C 7 176.455 174.779 1.676 1
1 67 . 5 1 1 A 7 7 ARG CA C 7 56.310 54.631 1.679 1
1 68 . 5 1 1 A 7 7 ARG CB C 7 30.470 33.716 -3.246 1
1 71 . 5 1 1 A 7 7 ARG N N 7 120.343 119.364 0.979 1
1 72 . 5 1 1 A 8 8 LEU H H 8 8.157 8.630 -0.473 1
1 73 . 5 1 1 A 8 8 LEU HA H 8 4.288 4.606 -0.318 1
1 83 . 5 1 1 A 8 8 LEU C C 8 177.940 177.677 0.263 1
1 84 . 5 1 1 A 8 8 LEU CA C 8 55.630 53.942 1.688 1
1 85 . 5 1 1 A 8 8 LEU CB C 8 42.540 42.656 -0.116 1
1 89 . 5 1 1 A 8 8 LEU N N 8 122.546 122.415 0.131 1
1 90 . 5 1 1 A 9 9 GLY H H 9 8.290 8.762 -0.472 1
1 91 . 5 1 1 A 9 9 GLY HA2 H 9 3.896 3.914 -0.018 1
1 92 . 5 1 1 A 9 9 GLY HA3 H 9 3.896 3.914 -0.018 1
1 93 . 5 1 1 A 9 9 GLY C C 9 173.664 174.992 -1.328 1
1 94 . 5 1 1 A 9 9 GLY CA C 9 45.320 47.516 -2.196 1
1 95 . 5 1 1 A 9 9 GLY N N 9 109.549 109.818 -0.269 1
1 96 . 5 1 1 A 10 10 ALA H H 10 7.980 8.550 -0.570 1
1 97 . 5 1 1 A 10 10 ALA HA H 10 4.276 4.312 -0.036 1
1 101 . 5 1 1 A 10 10 ALA C C 10 177.182 176.844 0.338 1
1 102 . 5 1 1 A 10 10 ALA CA C 10 52.130 52.421 -0.291 1
1 103 . 5 1 1 A 10 10 ALA CB C 10 19.460 20.140 -0.680 1
1 104 . 5 1 1 A 10 10 ALA N N 10 123.266 122.498 0.768 1
1 105 . 5 1 1 A 11 11 ASP H H 11 8.292 7.545 0.747 1
1 106 . 5 1 1 A 11 11 ASP HA H 11 4.840 4.771 0.069 1
1 109 . 5 1 1 A 11 11 ASP CA C 11 51.950 52.221 -0.271 1
1 110 . 5 1 1 A 11 11 ASP CB C 11 41.320 40.547 0.773 1
1 111 . 5 1 1 A 11 11 ASP N N 11 120.930 117.359 3.571 1
1 112 . 5 1 1 A 12 12 PRO HA H 12 4.450 4.711 -0.261 1
1 119 . 5 1 1 A 12 12 PRO C C 12 177.670 175.704 1.966 1
1 120 . 5 1 1 A 12 12 PRO CA C 12 63.940 62.267 1.673 1
1 121 . 5 1 1 A 12 12 PRO CB C 12 32.180 29.254 2.926 1
1 124 . 5 1 1 A 13 13 THR H H 13 8.304 8.559 -0.255 1
1 125 . 5 1 1 A 13 13 THR HA H 13 4.234 4.596 -0.362 1
1 130 . 5 1 1 A 13 13 THR C C 13 175.085 173.745 1.340 1
1 131 . 5 1 1 A 13 13 THR CA C 13 62.770 61.810 0.960 1
1 132 . 5 1 1 A 13 13 THR CB C 13 69.509 67.193 2.316 1
1 134 . 5 1 1 A 13 13 THR N N 13 112.749 118.660 -5.911 1
1 135 . 5 1 1 A 14 14 GLN H H 14 7.963 7.829 0.134 1
1 136 . 5 1 1 A 14 14 GLN HA H 14 4.282 4.604 -0.322 1
1 141 . 5 1 1 A 14 14 GLN C C 14 175.773 173.837 1.936 1
1 142 . 5 1 1 A 14 14 GLN CA C 14 55.770 55.635 0.135 1
1 143 . 5 1 1 A 14 14 GLN CB C 14 29.440 32.801 -3.361 1
1 145 . 5 1 1 A 14 14 GLN N N 14 121.849 125.477 -3.628 1
1 146 . 5 1 1 A 15 15 ALA H H 15 8.150 8.434 -0.284 1
1 147 . 5 1 1 A 15 15 ALA HA H 15 4.237 4.324 -0.087 1
1 151 . 5 1 1 A 15 15 ALA C C 15 177.587 176.736 0.851 1
1 152 . 5 1 1 A 15 15 ALA CA C 15 52.750 51.786 0.964 1
1 153 . 5 1 1 A 15 15 ALA CB C 15 19.180 17.385 1.795 1
1 154 . 5 1 1 A 15 15 ALA N N 15 125.125 126.501 -1.376 1
1 155 . 5 1 1 A 16 16 ALA H H 16 8.234 8.352 -0.118 1
1 156 . 5 1 1 A 16 16 ALA HA H 16 4.291 4.388 -0.097 1
1 160 . 5 1 1 A 16 16 ALA C C 16 177.741 177.324 0.417 1
1 161 . 5 1 1 A 16 16 ALA CA C 16 52.410 52.148 0.262 1
1 162 . 5 1 1 A 16 16 ALA CB C 16 19.130 19.680 -0.550 1
1 163 . 5 1 1 A 16 16 ALA N N 16 123.189 123.281 -0.092 1
1 164 . 5 1 1 A 17 17 SER H H 17 8.162 8.757 -0.595 1
1 165 . 5 1 1 A 17 17 SER HA H 17 4.431 4.545 -0.114 1
1 168 . 5 1 1 A 17 17 SER CA C 17 58.160 58.447 -0.287 1
1 169 . 5 1 1 A 17 17 SER CB C 17 64.030 61.457 2.573 1
1 170 . 5 1 1 A 17 17 SER N N 17 114.762 118.471 -3.709 1
1 171 . 5 1 1 A 18 18 SER H H 18 8.246 8.128 0.118 1
1 172 . 5 1 1 A 18 18 SER HA H 18 4.747 5.008 -0.261 1
1 173 . 5 1 1 A 18 18 SER CA C 18 58.640 55.703 2.937 1
1 174 . 5 1 1 A 18 18 SER N N 18 118.482 121.220 -2.738 1
1 175 . 5 1 1 A 19 19 PRO HA H 19 4.426 4.772 -0.346 1
1 182 . 5 1 1 A 19 19 PRO CA C 19 63.790 62.848 0.942 1
1 183 . 5 1 1 A 19 19 PRO CB C 19 32.220 33.023 -0.803 1
1 186 . 5 1 1 A 20 20 GLY H H 20 8.452 8.810 -0.358 1
1 187 . 5 1 1 A 20 20 GLY HA2 H 20 3.938 3.908 0.030 1
1 188 . 5 1 1 A 20 20 GLY HA3 H 20 3.938 3.911 0.027 1
1 189 . 5 1 1 A 20 20 GLY C C 20 174.674 174.702 -0.028 1
1 190 . 5 1 1 A 20 20 GLY CA C 20 45.330 45.328 0.002 1
1 191 . 5 1 1 A 20 20 GLY N N 20 109.329 110.168 -0.839 1
1 192 . 5 1 1 A 21 21 GLY H H 21 8.217 8.630 -0.413 1
1 193 . 5 1 1 A 21 21 GLY HA2 H 21 3.946 3.963 -0.017 1
1 194 . 5 1 1 A 21 21 GLY HA3 H 21 3.946 3.963 -0.017 1
1 195 . 5 1 1 A 21 21 GLY C C 21 173.555 173.844 -0.289 1
1 196 . 5 1 1 A 21 21 GLY CA C 21 45.390 46.305 -0.915 1
1 197 . 5 1 1 A 21 21 GLY N N 21 108.749 107.918 0.831 1
1 198 . 5 1 1 A 22 22 ALA H H 22 8.147 8.106 0.041 1
1 199 . 5 1 1 A 22 22 ALA HA H 22 4.866 4.666 0.200 1
1 203 . 5 1 1 A 22 22 ALA C C 22 176.931 177.318 -0.387 1
1 204 . 5 1 1 A 22 22 ALA CA C 22 51.910 51.597 0.313 1
1 205 . 5 1 1 A 22 22 ALA CB C 22 20.490 19.760 0.730 1
1 206 . 5 1 1 A 22 22 ALA N N 22 124.041 125.773 -1.732 1
1 207 . 5 1 1 A 23 23 ARG H H 23 8.699 8.834 -0.135 1
1 208 . 5 1 1 A 23 23 ARG HA H 23 4.641 5.067 -0.426 1
1 215 . 5 1 1 A 23 23 ARG C C 23 173.587 174.805 -1.218 1
1 216 . 5 1 1 A 23 23 ARG CA C 23 55.000 54.706 0.294 1
1 217 . 5 1 1 A 23 23 ARG CB C 23 32.420 32.869 -0.449 1
1 220 . 5 1 1 A 23 23 ARG N N 23 120.753 121.327 -0.574 1
1 221 . 5 1 1 A 24 24 ALA H H 24 8.408 8.977 -0.569 1
1 222 . 5 1 1 A 24 24 ALA HA H 24 5.145 5.224 -0.079 1
1 226 . 5 1 1 A 24 24 ALA C C 24 177.092 176.982 0.110 1
1 227 . 5 1 1 A 24 24 ALA CA C 24 51.160 50.406 0.754 1
1 228 . 5 1 1 A 24 24 ALA CB C 24 21.490 20.745 0.745 1
1 229 . 5 1 1 A 24 24 ALA N N 24 124.606 125.926 -1.320 1
1 230 . 5 1 1 A 25 25 VAL H H 25 8.842 8.995 -0.153 1
1 231 . 5 1 1 A 25 25 VAL HA H 25 4.411 4.895 -0.484 1
1 239 . 5 1 1 A 25 25 VAL C C 25 174.558 175.218 -0.660 1
1 240 . 5 1 1 A 25 25 VAL CA C 25 60.160 59.474 0.686 1
1 241 . 5 1 1 A 25 25 VAL CB C 25 34.450 34.558 -0.108 1
1 244 . 5 1 1 A 25 25 VAL N N 25 120.299 118.509 1.790 1
1 245 . 5 1 1 A 26 26 SER H H 26 8.744 9.180 -0.436 1
1 246 . 5 1 1 A 26 26 SER HA H 26 4.747 5.377 -0.630 1
1 249 . 5 1 1 A 26 26 SER C C 26 173.304 173.920 -0.616 1
1 250 . 5 1 1 A 26 26 SER CA C 26 58.720 55.835 2.885 1
1 251 . 5 1 1 A 26 26 SER CB C 26 63.910 66.154 -2.244 1
1 252 . 5 1 1 A 26 26 SER N N 26 121.229 118.517 2.712 1
1 253 . 5 1 1 A 27 27 ILE H H 27 8.716 8.825 -0.109 1
1 254 . 5 1 1 A 27 27 ILE HA H 27 4.360 4.849 -0.489 1
1 264 . 5 1 1 A 27 27 ILE C C 27 175.478 174.504 0.974 1
1 265 . 5 1 1 A 27 27 ILE CA C 27 60.670 59.988 0.682 1
1 266 . 5 1 1 A 27 27 ILE CB C 27 39.210 41.986 -2.776 1
1 270 . 5 1 1 A 27 27 ILE N N 27 124.450 122.587 1.863 1
1 271 . 5 1 1 A 28 28 VAL H H 28 8.426 8.693 -0.267 1
1 272 . 5 1 1 A 28 28 VAL HA H 28 4.298 4.589 -0.291 1
1 280 . 5 1 1 A 28 28 VAL CA C 28 61.850 61.261 0.589 1
1 281 . 5 1 1 A 28 28 VAL CB C 28 32.790 32.340 0.450 1
1 284 . 5 1 1 A 28 28 VAL N N 28 128.723 123.223 5.500 1
1 285 . 5 1 1 A 29 29 GLY H H 29 8.953 8.952 0.001 1
1 286 . 5 1 1 A 29 29 GLY HA2 H 29 3.988 3.858 0.130 1
1 287 . 5 1 1 A 29 29 GLY HA3 H 29 3.725 3.858 -0.133 1
1 288 . 5 1 1 A 29 29 GLY C C 29 176.487 174.262 2.225 1
1 289 . 5 1 1 A 29 29 GLY CA C 29 47.610 47.310 0.300 1
1 290 . 5 1 1 A 29 29 GLY N N 29 120.095 115.512 4.583 1
1 291 . 5 1 1 A 30 30 ASN H H 30 8.566 8.168 0.398 1
1 292 . 5 1 1 A 30 30 ASN HA H 30 4.422 4.968 -0.546 1
1 297 . 5 1 1 A 30 30 ASN C C 30 172.841 174.525 -1.684 1
1 298 . 5 1 1 A 30 30 ASN CA C 30 53.100 52.188 0.912 1
1 299 . 5 1 1 A 30 30 ASN CB C 30 38.630 39.509 -0.879 1
1 300 . 5 1 1 A 30 30 ASN N N 30 120.808 120.582 0.226 1
1 302 . 5 1 1 A 31 31 GLN H H 31 7.713 7.356 0.357 1
1 303 . 5 1 1 A 31 31 GLN HA H 31 5.672 5.000 0.672 1
1 310 . 5 1 1 A 31 31 GLN C C 31 174.828 173.644 1.184 1
1 311 . 5 1 1 A 31 31 GLN CA C 31 54.730 54.251 0.479 1
1 312 . 5 1 1 A 31 31 GLN CB C 31 32.800 31.782 1.018 1
1 314 . 5 1 1 A 31 31 GLN N N 31 118.262 120.505 -2.243 1
1 316 . 5 1 1 A 32 32 ILE H H 32 9.113 8.924 0.189 1
1 317 . 5 1 1 A 32 32 ILE HA H 32 4.454 4.939 -0.485 1
1 327 . 5 1 1 A 32 32 ILE C C 32 173.439 173.389 0.050 1
1 328 . 5 1 1 A 32 32 ILE CA C 32 59.610 59.471 0.139 1
1 329 . 5 1 1 A 32 32 ILE CB C 32 42.350 41.537 0.813 1
1 333 . 5 1 1 A 32 32 ILE N N 32 124.849 127.988 -3.139 1
1 334 . 5 1 1 A 33 33 ASP H H 33 9.066 8.439 0.627 1
1 335 . 5 1 1 A 33 33 ASP HA H 33 5.077 5.048 0.029 1
1 338 . 5 1 1 A 33 33 ASP C C 33 178.378 176.785 1.593 1
1 339 . 5 1 1 A 33 33 ASP CA C 33 53.460 53.144 0.316 1
1 340 . 5 1 1 A 33 33 ASP CB C 33 43.180 43.339 -0.159 1
1 341 . 5 1 1 A 33 33 ASP N N 33 127.594 128.889 -1.295 1
1 342 . 5 1 1 A 34 34 SER H H 34 9.524 9.129 0.395 1
1 343 . 5 1 1 A 34 34 SER HA H 34 3.902 4.237 -0.335 1
1 346 . 5 1 1 A 34 34 SER C C 34 175.876 176.934 -1.058 1
1 347 . 5 1 1 A 34 34 SER CA C 34 61.980 61.843 0.137 1
1 348 . 5 1 1 A 34 34 SER CB C 34 61.510 62.867 -1.357 1
1 349 . 5 1 1 A 34 34 SER N N 34 125.026 120.661 4.365 1
1 350 . 5 1 1 A 35 35 ARG H H 35 9.022 7.493 1.529 1
1 351 . 5 1 1 A 35 35 ARG HA H 35 4.235 4.207 0.028 1
1 358 . 5 1 1 A 35 35 ARG C C 35 178.661 178.882 -0.221 1
1 359 . 5 1 1 A 35 35 ARG CA C 35 58.840 59.232 -0.392 1
1 360 . 5 1 1 A 35 35 ARG CB C 35 29.970 29.841 0.129 1
1 363 . 5 1 1 A 35 35 ARG N N 35 122.601 121.643 0.958 1
1 364 . 5 1 1 A 36 36 GLU H H 36 7.689 7.835 -0.146 1
1 365 . 5 1 1 A 36 36 GLU HA H 36 4.202 4.032 0.170 1
1 370 . 5 1 1 A 36 36 GLU C C 36 177.285 179.342 -2.057 1
1 371 . 5 1 1 A 36 36 GLU CA C 36 57.340 58.836 -1.496 1
1 372 . 5 1 1 A 36 36 GLU CB C 36 30.910 29.279 1.631 1
1 374 . 5 1 1 A 36 36 GLU N N 36 115.420 119.956 -4.536 1
1 375 . 5 1 1 A 37 37 LEU H H 37 7.280 8.043 -0.763 1
1 376 . 5 1 1 A 37 37 LEU HA H 37 3.805 3.943 -0.138 1
1 386 . 5 1 1 A 37 37 LEU C C 37 176.410 177.983 -1.573 1
1 387 . 5 1 1 A 37 37 LEU CA C 37 56.790 57.511 -0.721 1
1 388 . 5 1 1 A 37 37 LEU CB C 37 42.510 41.868 0.642 1
1 392 . 5 1 1 A 37 37 LEU N N 37 117.043 119.785 -2.742 1
1 393 . 5 1 1 A 38 38 PHE H H 38 7.431 7.955 -0.524 1
1 394 . 5 1 1 A 38 38 PHE HA H 38 4.884 4.676 0.208 1
1 402 . 5 1 1 A 38 38 PHE C C 38 176.018 176.081 -0.063 1
1 403 . 5 1 1 A 38 38 PHE CA C 38 57.320 58.004 -0.684 1
1 404 . 5 1 1 A 38 38 PHE CB C 38 38.500 38.286 0.214 1
1 408 . 5 1 1 A 38 38 PHE N N 38 115.439 115.211 0.228 1
1 409 . 5 1 1 A 39 39 THR H H 39 7.632 7.622 0.010 1
1 410 . 5 1 1 A 39 39 THR HA H 39 4.256 4.102 0.154 1
1 415 . 5 1 1 A 39 39 THR C C 39 175.986 175.416 0.570 1
1 416 . 5 1 1 A 39 39 THR CA C 39 62.630 65.230 -2.600 1
1 417 . 5 1 1 A 39 39 THR CB C 39 69.240 68.748 0.492 1
1 419 . 5 1 1 A 39 39 THR N N 39 112.395 115.182 -2.787 1
1 420 . 5 1 1 A 40 40 VAL H H 40 8.246 7.651 0.595 1
1 421 . 5 1 1 A 40 40 VAL HA H 40 4.121 4.195 -0.074 1
1 429 . 5 1 1 A 40 40 VAL C C 40 175.233 175.814 -0.581 1
1 430 . 5 1 1 A 40 40 VAL CA C 40 63.340 63.704 -0.364 1
1 431 . 5 1 1 A 40 40 VAL CB C 40 32.870 33.209 -0.339 1
1 434 . 5 1 1 A 40 40 VAL N N 40 118.329 119.355 -1.026 1
1 435 . 5 1 1 A 41 41 ASP H H 41 8.048 7.880 0.168 1
1 436 . 5 1 1 A 41 41 ASP HA H 41 4.792 4.768 0.024 1
1 439 . 5 1 1 A 41 41 ASP CA C 41 53.950 54.134 -0.184 1
1 440 . 5 1 1 A 41 41 ASP CB C 41 43.630 41.729 1.901 1
1 441 . 5 1 1 A 41 41 ASP N N 41 120.465 119.939 0.526 1
1 442 . 5 1 1 A 42 42 ARG H H 42 8.639 9.110 -0.471 1
1 443 . 5 1 1 A 42 42 ARG HA H 42 4.157 4.684 -0.527 1
1 450 . 5 1 1 A 42 42 ARG C C 42 173.606 175.581 -1.975 1
1 451 . 5 1 1 A 42 42 ARG CA C 42 56.340 55.870 0.470 1
1 452 . 5 1 1 A 42 42 ARG CB C 42 29.930 31.696 -1.766 1
1 455 . 5 1 1 A 42 42 ARG N N 42 116.578 122.177 -5.599 1
1 456 . 5 1 1 A 43 43 GLU H H 43 7.452 7.864 -0.412 1
1 457 . 5 1 1 A 43 43 GLU HA H 43 5.413 5.379 0.034 1
1 462 . 5 1 1 A 43 43 GLU C C 43 174.192 174.260 -0.068 1
1 463 . 5 1 1 A 43 43 GLU CA C 43 55.100 56.065 -0.965 1
1 464 . 5 1 1 A 43 43 GLU CB C 43 34.110 33.378 0.732 1
1 466 . 5 1 1 A 43 43 GLU N N 43 116.369 118.280 -1.911 1
1 467 . 5 1 1 A 44 44 ILE H H 44 9.056 9.321 -0.265 1
1 468 . 5 1 1 A 44 44 ILE HA H 44 4.696 4.947 -0.251 1
1 478 . 5 1 1 A 44 44 ILE C C 44 173.831 174.584 -0.753 1
1 479 . 5 1 1 A 44 44 ILE CA C 44 58.070 59.491 -1.421 1
1 480 . 5 1 1 A 44 44 ILE CB C 44 41.140 41.919 -0.779 1
1 484 . 5 1 1 A 44 44 ILE N N 44 123.963 126.427 -2.464 1
1 485 . 5 1 1 A 45 45 VAL H H 45 8.740 8.946 -0.206 1
1 486 . 5 1 1 A 45 45 VAL HA H 45 4.850 4.954 -0.104 1
1 494 . 5 1 1 A 45 45 VAL C C 45 175.175 175.443 -0.268 1
1 495 . 5 1 1 A 45 45 VAL CA C 45 60.990 61.418 -0.428 1
1 496 . 5 1 1 A 45 45 VAL CB C 45 33.810 33.606 0.204 1
1 499 . 5 1 1 A 45 45 VAL N N 45 126.299 126.720 -0.421 1
1 500 . 5 1 1 A 46 46 ILE H H 46 9.367 9.154 0.213 1
1 501 . 5 1 1 A 46 46 ILE HA H 46 4.830 4.883 -0.053 1
1 511 . 5 1 1 A 46 46 ILE C C 46 175.433 175.077 0.356 1
1 512 . 5 1 1 A 46 46 ILE CA C 46 59.350 60.519 -1.169 1
1 513 . 5 1 1 A 46 46 ILE CB C 46 39.410 40.768 -1.358 1
1 517 . 5 1 1 A 46 46 ILE N N 46 126.797 127.545 -0.748 1
1 518 . 5 1 1 A 47 47 ALA H H 47 9.173 8.999 0.174 1
1 519 . 5 1 1 A 47 47 ALA HA H 47 4.790 5.507 -0.717 1
1 523 . 5 1 1 A 47 47 ALA C C 47 175.394 176.355 -0.961 1
1 524 . 5 1 1 A 47 47 ALA CA C 47 51.500 51.256 0.244 1
1 525 . 5 1 1 A 47 47 ALA CB C 47 19.020 21.349 -2.329 1
1 526 . 5 1 1 A 47 47 ALA N N 47 131.668 131.585 0.083 1
1 527 . 5 1 1 A 48 48 HIS H H 48 8.473 9.161 -0.688 1
1 528 . 5 1 1 A 48 48 HIS HA H 48 5.394 4.891 0.503 1
1 533 . 5 1 1 A 48 48 HIS C C 48 175.182 175.120 0.062 1
1 534 . 5 1 1 A 48 48 HIS CA C 48 54.520 55.521 -1.001 1
1 535 . 5 1 1 A 48 48 HIS CB C 48 33.190 32.057 1.133 1
1 538 . 5 1 1 A 48 48 HIS N N 48 126.144 122.685 3.459 1
1 539 . 5 1 1 A 49 49 GLY H H 49 8.847 9.004 -0.157 1
1 540 . 5 1 1 A 49 49 GLY HA2 H 49 3.795 3.605 0.190 1
1 541 . 5 1 1 A 49 49 GLY HA3 H 49 3.549 3.683 -0.134 1
1 542 . 5 1 1 A 49 49 GLY CA C 49 46.950 46.472 0.478 1
1 543 . 5 1 1 A 49 49 GLY N N 49 117.318 115.983 1.335 1
1 544 . 5 1 1 A 50 50 ASP HA H 50 4.639 4.898 -0.259 1
1 547 . 5 1 1 A 50 50 ASP C C 50 175.825 175.365 0.460 1
1 548 . 5 1 1 A 50 50 ASP CA C 50 55.070 54.278 0.792 1
1 549 . 5 1 1 A 50 50 ASP CB C 50 31.070 44.017 -12.947 1
1 550 . 5 1 1 A 51 51 ASP H H 51 8.166 7.270 0.896 1
1 551 . 5 1 1 A 51 51 ASP HA H 51 4.810 4.562 0.248 1
1 554 . 5 1 1 A 51 51 ASP C C 51 176.635 175.557 1.078 1
1 555 . 5 1 1 A 51 51 ASP CA C 51 53.950 54.044 -0.094 1
1 556 . 5 1 1 A 51 51 ASP CB C 51 43.250 42.002 1.248 1
1 557 . 5 1 1 A 51 51 ASP N N 51 120.310 120.185 0.125 1
1 558 . 5 1 1 A 52 52 ARG H H 52 8.784 8.393 0.391 1
1 559 . 5 1 1 A 52 52 ARG HA H 52 4.970 5.327 -0.357 1
1 566 . 5 1 1 A 52 52 ARG C C 52 174.757 174.548 0.209 1
1 567 . 5 1 1 A 52 52 ARG CA C 52 54.250 54.638 -0.388 1
1 568 . 5 1 1 A 52 52 ARG CB C 52 31.440 33.799 -2.359 1
1 571 . 5 1 1 A 52 52 ARG N N 52 123.348 123.607 -0.259 1
1 572 . 5 1 1 A 53 53 TYR H H 53 8.850 9.579 -0.729 1
1 573 . 5 1 1 A 53 53 TYR HA H 53 4.806 5.267 -0.461 1
1 580 . 5 1 1 A 53 53 TYR C C 53 174.989 175.245 -0.256 1
1 581 . 5 1 1 A 53 53 TYR CA C 53 56.850 56.949 -0.099 1
1 582 . 5 1 1 A 53 53 TYR CB C 53 41.480 42.852 -1.372 1
1 585 . 5 1 1 A 53 53 TYR N N 53 122.391 122.939 -0.548 1
1 586 . 5 1 1 A 54 54 ARG H H 54 9.387 9.079 0.308 1
1 587 . 5 1 1 A 54 54 ARG HA H 54 4.936 5.447 -0.511 1
1 594 . 5 1 1 A 54 54 ARG C C 54 174.076 174.550 -0.474 1
1 595 . 5 1 1 A 54 54 ARG CA C 54 55.100 54.673 0.427 1
1 596 . 5 1 1 A 54 54 ARG CB C 54 31.750 32.717 -0.967 1
1 599 . 5 1 1 A 54 54 ARG N N 54 120.797 120.311 0.486 1
1 600 . 5 1 1 A 55 55 LEU H H 55 9.271 8.926 0.345 1
1 601 . 5 1 1 A 55 55 LEU HA H 55 5.237 4.919 0.318 1
1 611 . 5 1 1 A 55 55 LEU C C 55 174.841 175.464 -0.623 1
1 612 . 5 1 1 A 55 55 LEU CA C 55 53.590 54.568 -0.978 1
1 613 . 5 1 1 A 55 55 LEU CB C 55 43.470 43.258 0.212 1
1 617 . 5 1 1 A 55 55 LEU N N 55 128.735 128.141 0.594 1
1 618 . 5 1 1 A 56 56 ARG H H 56 9.000 8.978 0.022 1
1 619 . 5 1 1 A 56 56 ARG HA H 56 5.110 5.262 -0.152 1
1 626 . 5 1 1 A 56 56 ARG C C 56 173.413 173.921 -0.508 1
1 627 . 5 1 1 A 56 56 ARG CA C 56 54.440 54.602 -0.162 1
1 628 . 5 1 1 A 56 56 ARG CB C 56 34.540 33.136 1.404 1
1 631 . 5 1 1 A 56 56 ARG N N 56 125.280 128.550 -3.270 1
1 632 . 5 1 1 A 57 57 LEU H H 57 7.631 9.004 -1.373 1
1 633 . 5 1 1 A 57 57 LEU HA H 57 4.667 4.782 -0.115 1
1 643 . 5 1 1 A 57 57 LEU C C 57 177.709 176.571 1.138 1
1 644 . 5 1 1 A 57 57 LEU CA C 57 52.710 53.082 -0.372 1
1 645 . 5 1 1 A 57 57 LEU CB C 57 42.480 44.001 -1.521 1
1 649 . 5 1 1 A 57 57 LEU N N 57 122.967 128.104 -5.137 1
1 650 . 5 1 1 A 58 58 THR H H 58 9.001 8.723 0.278 1
1 651 . 5 1 1 A 58 58 THR HA H 58 4.508 4.705 -0.197 1
1 656 . 5 1 1 A 58 58 THR CA C 58 60.440 60.514 -0.074 1
1 657 . 5 1 1 A 58 58 THR CB C 58 71.960 71.864 0.096 1
1 659 . 5 1 1 A 58 58 THR N N 58 116.533 116.657 -0.124 1
1 660 . 5 1 1 A 60 60 GLN HA H 60 4.433 3.851 0.582 1
1 665 . 5 1 1 A 60 60 GLN C C 60 174.738 175.683 -0.945 1
1 666 . 5 1 1 A 60 60 GLN CA C 60 55.280 57.508 -2.228 1
1 667 . 5 1 1 A 60 60 GLN CB C 60 28.190 27.019 1.171 1
1 669 . 5 1 1 A 61 61 ASN H H 61 8.333 7.966 0.367 1
1 670 . 5 1 1 A 61 61 ASN HA H 61 4.262 4.510 -0.248 1
1 675 . 5 1 1 A 61 61 ASN C C 61 174.725 174.973 -0.248 1
1 676 . 5 1 1 A 61 61 ASN CA C 61 54.130 55.441 -1.311 1
1 677 . 5 1 1 A 61 61 ASN CB C 61 37.560 39.074 -1.514 1
1 678 . 5 1 1 A 61 61 ASN N N 61 116.480 117.523 -1.043 1
1 680 . 5 1 1 A 62 62 LYS H H 62 7.111 7.899 -0.788 1
1 681 . 5 1 1 A 62 62 LYS HA H 62 4.520 4.654 -0.134 1
1 690 . 5 1 1 A 62 62 LYS C C 62 174.057 174.016 0.041 1
1 691 . 5 1 1 A 62 62 LYS CA C 62 53.930 54.896 -0.966 1
1 692 . 5 1 1 A 62 62 LYS CB C 62 34.060 34.660 -0.600 1
1 696 . 5 1 1 A 62 62 LYS N N 62 116.535 113.607 2.928 1
1 697 . 5 1 1 A 63 63 LEU H H 63 6.706 8.515 -1.809 1
1 698 . 5 1 1 A 63 63 LEU HA H 63 5.093 5.311 -0.218 1
1 708 . 5 1 1 A 63 63 LEU C C 63 175.503 174.977 0.526 1
1 709 . 5 1 1 A 63 63 LEU CA C 63 53.330 52.764 0.566 1
1 710 . 5 1 1 A 63 63 LEU CB C 63 43.280 46.382 -3.102 1
1 714 . 5 1 1 A 63 63 LEU N N 63 119.236 113.888 5.348 1
1 715 . 5 1 1 A 64 64 ILE H H 64 8.471 8.895 -0.424 1
1 716 . 5 1 1 A 64 64 ILE HA H 64 4.429 4.939 -0.510 1
1 726 . 5 1 1 A 64 64 ILE C C 64 172.642 173.741 -1.099 1
1 727 . 5 1 1 A 64 64 ILE CA C 64 59.520 58.936 0.584 1
1 728 . 5 1 1 A 64 64 ILE CB C 64 42.740 42.106 0.634 1
1 732 . 5 1 1 A 64 64 ILE N N 64 116.258 114.761 1.497 1
1 733 . 5 1 1 A 65 65 LEU H H 65 8.429 8.855 -0.426 1
1 734 . 5 1 1 A 65 65 LEU HA H 65 5.543 5.180 0.363 1
1 744 . 5 1 1 A 65 65 LEU C C 65 176.050 174.919 1.131 1
1 745 . 5 1 1 A 65 65 LEU CA C 65 53.230 53.420 -0.190 1
1 746 . 5 1 1 A 65 65 LEU CB C 65 46.610 44.919 1.691 1
1 750 . 5 1 1 A 65 65 LEU N N 65 125.259 124.576 0.683 1
1 751 . 5 1 1 A 66 66 THR H H 66 9.302 8.478 0.824 1
1 752 . 5 1 1 A 66 66 THR HA H 66 4.905 4.830 0.075 1
1 757 . 5 1 1 A 66 66 THR C C 66 172.436 171.787 0.649 1
1 758 . 5 1 1 A 66 66 THR CA C 66 59.850 60.515 -0.665 1
1 759 . 5 1 1 A 66 66 THR CB C 66 71.650 69.963 1.687 1
1 761 . 5 1 1 A 66 66 THR N N 66 121.417 118.388 3.029 1
1 7 . 6 1 1 A 2 2 MET H H 2 8.334 8.648 -0.314 1
1 8 . 6 1 1 A 2 2 MET HA H 2 4.432 5.042 -0.610 1
1 16 . 6 1 1 A 2 2 MET C C 2 176.391 174.691 1.700 1
1 17 . 6 1 1 A 2 2 MET CA C 2 55.880 53.699 2.181 1
1 18 . 6 1 1 A 2 2 MET CB C 2 32.400 35.493 -3.093 1
1 21 . 6 1 1 A 2 2 MET N N 2 121.118 123.392 -2.274 1
1 22 . 6 1 1 A 3 3 THR H H 3 8.177 8.642 -0.465 1
1 23 . 6 1 1 A 3 3 THR HA H 3 4.338 4.479 -0.141 1
1 28 . 6 1 1 A 3 3 THR C C 3 174.455 173.615 0.840 1
1 29 . 6 1 1 A 3 3 THR CA C 3 61.410 62.282 -0.872 1
1 30 . 6 1 1 A 3 3 THR CB C 3 69.710 67.263 2.447 1
1 32 . 6 1 1 A 3 3 THR N N 3 115.029 115.839 -0.810 1
1 33 . 6 1 1 A 4 4 ALA H H 4 8.429 8.090 0.339 1
1 34 . 6 1 1 A 4 4 ALA HA H 4 4.303 4.637 -0.334 1
1 38 . 6 1 1 A 4 4 ALA C C 4 178.127 176.568 1.559 1
1 39 . 6 1 1 A 4 4 ALA CA C 4 52.580 52.094 0.486 1
1 40 . 6 1 1 A 4 4 ALA CB C 4 19.370 20.306 -0.936 1
1 41 . 6 1 1 A 4 4 ALA N N 4 126.222 128.623 -2.401 1
1 42 . 6 1 1 A 5 5 SER H H 5 8.257 8.785 -0.528 1
1 43 . 6 1 1 A 5 5 SER HA H 5 4.352 4.627 -0.275 1
1 46 . 6 1 1 A 5 5 SER C C 5 174.687 173.119 1.568 1
1 47 . 6 1 1 A 5 5 SER CA C 5 58.790 57.884 0.906 1
1 48 . 6 1 1 A 5 5 SER CB C 5 63.720 62.260 1.460 1
1 49 . 6 1 1 A 5 5 SER N N 5 114.762 118.469 -3.707 1
1 50 . 6 1 1 A 6 6 ASP H H 6 8.186 9.059 -0.873 1
1 51 . 6 1 1 A 6 6 ASP HA H 6 4.547 5.019 -0.472 1
1 54 . 6 1 1 A 6 6 ASP C C 6 176.423 175.501 0.922 1
1 55 . 6 1 1 A 6 6 ASP CA C 6 54.760 53.793 0.967 1
1 56 . 6 1 1 A 6 6 ASP CB C 6 41.110 42.600 -1.490 1
1 57 . 6 1 1 A 6 6 ASP N N 6 122.104 126.485 -4.381 1
1 58 . 6 1 1 A 7 7 ARG H H 7 8.063 8.658 -0.595 1
1 59 . 6 1 1 A 7 7 ARG HA H 7 4.276 4.773 -0.497 1
1 66 . 6 1 1 A 7 7 ARG C C 7 176.455 175.027 1.428 1
1 67 . 6 1 1 A 7 7 ARG CA C 7 56.310 55.170 1.140 1
1 68 . 6 1 1 A 7 7 ARG CB C 7 30.470 32.493 -2.023 1
1 71 . 6 1 1 A 7 7 ARG N N 7 120.343 126.518 -6.175 1
1 72 . 6 1 1 A 8 8 LEU H H 8 8.157 8.539 -0.382 1
1 73 . 6 1 1 A 8 8 LEU HA H 8 4.288 4.500 -0.212 1
1 83 . 6 1 1 A 8 8 LEU C C 8 177.940 176.904 1.036 1
1 84 . 6 1 1 A 8 8 LEU CA C 8 55.630 53.543 2.087 1
1 85 . 6 1 1 A 8 8 LEU CB C 8 42.540 42.924 -0.384 1
1 89 . 6 1 1 A 8 8 LEU N N 8 122.546 124.492 -1.946 1
1 90 . 6 1 1 A 9 9 GLY H H 9 8.290 8.732 -0.442 1
1 91 . 6 1 1 A 9 9 GLY HA2 H 9 3.896 4.016 -0.120 1
1 92 . 6 1 1 A 9 9 GLY HA3 H 9 3.896 4.016 -0.120 1
1 93 . 6 1 1 A 9 9 GLY C C 9 173.664 173.881 -0.217 1
1 94 . 6 1 1 A 9 9 GLY CA C 9 45.320 46.609 -1.289 1
1 95 . 6 1 1 A 9 9 GLY N N 9 109.549 107.484 2.065 1
1 96 . 6 1 1 A 10 10 ALA H H 10 7.980 8.662 -0.682 1
1 97 . 6 1 1 A 10 10 ALA HA H 10 4.276 4.351 -0.075 1
1 101 . 6 1 1 A 10 10 ALA C C 10 177.182 176.563 0.619 1
1 102 . 6 1 1 A 10 10 ALA CA C 10 52.130 51.658 0.472 1
1 103 . 6 1 1 A 10 10 ALA CB C 10 19.460 17.311 2.149 1
1 104 . 6 1 1 A 10 10 ALA N N 10 123.266 126.086 -2.820 1
1 105 . 6 1 1 A 11 11 ASP H H 11 8.292 7.952 0.340 1
1 106 . 6 1 1 A 11 11 ASP HA H 11 4.840 4.853 -0.013 1
1 109 . 6 1 1 A 11 11 ASP CA C 11 51.950 51.634 0.316 1
1 110 . 6 1 1 A 11 11 ASP CB C 11 41.320 42.074 -0.754 1
1 111 . 6 1 1 A 11 11 ASP N N 11 120.930 120.507 0.423 1
1 112 . 6 1 1 A 12 12 PRO HA H 12 4.450 4.493 -0.043 1
1 119 . 6 1 1 A 12 12 PRO C C 12 177.670 176.474 1.196 1
1 120 . 6 1 1 A 12 12 PRO CA C 12 63.940 62.984 0.956 1
1 121 . 6 1 1 A 12 12 PRO CB C 12 32.180 31.463 0.717 1
1 124 . 6 1 1 A 13 13 THR H H 13 8.304 8.580 -0.276 1
1 125 . 6 1 1 A 13 13 THR HA H 13 4.234 4.418 -0.184 1
1 130 . 6 1 1 A 13 13 THR C C 13 175.085 173.800 1.285 1
1 131 . 6 1 1 A 13 13 THR CA C 13 62.770 62.612 0.158 1
1 132 . 6 1 1 A 13 13 THR CB C 13 69.509 69.284 0.225 1
1 134 . 6 1 1 A 13 13 THR N N 13 112.749 118.995 -6.246 1
1 135 . 6 1 1 A 14 14 GLN H H 14 7.963 8.672 -0.709 1
1 136 . 6 1 1 A 14 14 GLN HA H 14 4.282 4.446 -0.164 1
1 141 . 6 1 1 A 14 14 GLN C C 14 175.773 174.875 0.898 1
1 142 . 6 1 1 A 14 14 GLN CA C 14 55.770 55.444 0.326 1
1 143 . 6 1 1 A 14 14 GLN CB C 14 29.440 27.030 2.410 1
1 145 . 6 1 1 A 14 14 GLN N N 14 121.849 126.702 -4.853 1
1 146 . 6 1 1 A 15 15 ALA H H 15 8.150 8.568 -0.418 1
1 147 . 6 1 1 A 15 15 ALA HA H 15 4.237 4.637 -0.400 1
1 151 . 6 1 1 A 15 15 ALA C C 15 177.587 176.775 0.812 1
1 152 . 6 1 1 A 15 15 ALA CA C 15 52.750 51.514 1.236 1
1 153 . 6 1 1 A 15 15 ALA CB C 15 19.180 19.481 -0.301 1
1 154 . 6 1 1 A 15 15 ALA N N 15 125.125 126.475 -1.350 1
1 155 . 6 1 1 A 16 16 ALA H H 16 8.234 8.396 -0.162 1
1 156 . 6 1 1 A 16 16 ALA HA H 16 4.291 4.369 -0.078 1
1 160 . 6 1 1 A 16 16 ALA C C 16 177.741 177.021 0.720 1
1 161 . 6 1 1 A 16 16 ALA CA C 16 52.410 52.808 -0.398 1
1 162 . 6 1 1 A 16 16 ALA CB C 16 19.130 19.051 0.079 1
1 163 . 6 1 1 A 16 16 ALA N N 16 123.189 126.432 -3.243 1
1 164 . 6 1 1 A 17 17 SER H H 17 8.162 8.727 -0.565 1
1 165 . 6 1 1 A 17 17 SER HA H 17 4.431 4.522 -0.091 1
1 168 . 6 1 1 A 17 17 SER CA C 17 58.160 57.464 0.696 1
1 169 . 6 1 1 A 17 17 SER CB C 17 64.030 63.325 0.705 1
1 170 . 6 1 1 A 17 17 SER N N 17 114.762 119.074 -4.312 1
1 171 . 6 1 1 A 18 18 SER H H 18 8.246 8.531 -0.285 1
1 172 . 6 1 1 A 18 18 SER HA H 18 4.747 4.614 0.133 1
1 173 . 6 1 1 A 18 18 SER CA C 18 58.640 56.489 2.151 1
1 174 . 6 1 1 A 18 18 SER N N 18 118.482 122.501 -4.019 1
1 175 . 6 1 1 A 19 19 PRO HA H 19 4.426 4.930 -0.504 1
1 182 . 6 1 1 A 19 19 PRO CA C 19 63.790 63.044 0.746 1
1 183 . 6 1 1 A 19 19 PRO CB C 19 32.220 31.669 0.551 1
1 186 . 6 1 1 A 20 20 GLY H H 20 8.452 8.180 0.272 1
1 187 . 6 1 1 A 20 20 GLY HA2 H 20 3.938 4.178 -0.240 1
1 188 . 6 1 1 A 20 20 GLY HA3 H 20 3.938 4.179 -0.241 1
1 189 . 6 1 1 A 20 20 GLY C C 20 174.674 173.504 1.170 1
1 190 . 6 1 1 A 20 20 GLY CA C 20 45.330 45.723 -0.393 1
1 191 . 6 1 1 A 20 20 GLY N N 20 109.329 109.106 0.223 1
1 192 . 6 1 1 A 21 21 GLY H H 21 8.217 8.544 -0.327 1
1 193 . 6 1 1 A 21 21 GLY HA2 H 21 3.946 3.908 0.038 1
1 194 . 6 1 1 A 21 21 GLY HA3 H 21 3.946 3.909 0.037 1
1 195 . 6 1 1 A 21 21 GLY C C 21 173.555 173.782 -0.227 1
1 196 . 6 1 1 A 21 21 GLY CA C 21 45.390 46.332 -0.942 1
1 197 . 6 1 1 A 21 21 GLY N N 21 108.749 107.257 1.492 1
1 198 . 6 1 1 A 22 22 ALA H H 22 8.147 8.011 0.136 1
1 199 . 6 1 1 A 22 22 ALA HA H 22 4.866 4.666 0.200 1
1 203 . 6 1 1 A 22 22 ALA C C 22 176.931 176.960 -0.029 1
1 204 . 6 1 1 A 22 22 ALA CA C 22 51.910 51.523 0.387 1
1 205 . 6 1 1 A 22 22 ALA CB C 22 20.490 20.305 0.185 1
1 206 . 6 1 1 A 22 22 ALA N N 22 124.041 126.476 -2.435 1
1 207 . 6 1 1 A 23 23 ARG H H 23 8.699 9.006 -0.307 1
1 208 . 6 1 1 A 23 23 ARG HA H 23 4.641 4.990 -0.349 1
1 215 . 6 1 1 A 23 23 ARG C C 23 173.587 174.027 -0.440 1
1 216 . 6 1 1 A 23 23 ARG CA C 23 55.000 54.170 0.830 1
1 217 . 6 1 1 A 23 23 ARG CB C 23 32.420 33.671 -1.251 1
1 220 . 6 1 1 A 23 23 ARG N N 23 120.753 117.355 3.398 1
1 221 . 6 1 1 A 24 24 ALA H H 24 8.408 8.743 -0.335 1
1 222 . 6 1 1 A 24 24 ALA HA H 24 5.145 5.370 -0.225 1
1 226 . 6 1 1 A 24 24 ALA C C 24 177.092 176.606 0.486 1
1 227 . 6 1 1 A 24 24 ALA CA C 24 51.160 50.246 0.914 1
1 228 . 6 1 1 A 24 24 ALA CB C 24 21.490 20.999 0.491 1
1 229 . 6 1 1 A 24 24 ALA N N 24 124.606 123.033 1.573 1
1 230 . 6 1 1 A 25 25 VAL H H 25 8.842 9.031 -0.189 1
1 231 . 6 1 1 A 25 25 VAL HA H 25 4.411 4.881 -0.470 1
1 239 . 6 1 1 A 25 25 VAL C C 25 174.558 175.188 -0.630 1
1 240 . 6 1 1 A 25 25 VAL CA C 25 60.160 59.461 0.699 1
1 241 . 6 1 1 A 25 25 VAL CB C 25 34.450 34.713 -0.263 1
1 244 . 6 1 1 A 25 25 VAL N N 25 120.299 117.844 2.455 1
1 245 . 6 1 1 A 26 26 SER H H 26 8.744 9.018 -0.274 1
1 246 . 6 1 1 A 26 26 SER HA H 26 4.747 5.257 -0.510 1
1 249 . 6 1 1 A 26 26 SER C C 26 173.304 174.078 -0.774 1
1 250 . 6 1 1 A 26 26 SER CA C 26 58.720 55.932 2.788 1
1 251 . 6 1 1 A 26 26 SER CB C 26 63.910 65.461 -1.551 1
1 252 . 6 1 1 A 26 26 SER N N 26 121.229 118.505 2.724 1
1 253 . 6 1 1 A 27 27 ILE H H 27 8.716 8.852 -0.136 1
1 254 . 6 1 1 A 27 27 ILE HA H 27 4.360 5.045 -0.685 1
1 264 . 6 1 1 A 27 27 ILE C C 27 175.478 174.519 0.959 1
1 265 . 6 1 1 A 27 27 ILE CA C 27 60.670 60.465 0.205 1
1 266 . 6 1 1 A 27 27 ILE CB C 27 39.210 40.769 -1.559 1
1 270 . 6 1 1 A 27 27 ILE N N 27 124.450 122.928 1.522 1
1 271 . 6 1 1 A 28 28 VAL H H 28 8.426 8.607 -0.181 1
1 272 . 6 1 1 A 28 28 VAL HA H 28 4.298 4.700 -0.402 1
1 280 . 6 1 1 A 28 28 VAL CA C 28 61.850 61.246 0.604 1
1 281 . 6 1 1 A 28 28 VAL CB C 28 32.790 32.394 0.396 1
1 284 . 6 1 1 A 28 28 VAL N N 28 128.723 124.337 4.386 1
1 285 . 6 1 1 A 29 29 GLY H H 29 8.953 8.898 0.055 1
1 286 . 6 1 1 A 29 29 GLY HA2 H 29 3.988 3.882 0.106 1
1 287 . 6 1 1 A 29 29 GLY HA3 H 29 3.725 3.882 -0.157 1
1 288 . 6 1 1 A 29 29 GLY C C 29 176.487 174.202 2.285 1
1 289 . 6 1 1 A 29 29 GLY CA C 29 47.610 47.242 0.368 1
1 290 . 6 1 1 A 29 29 GLY N N 29 120.095 115.388 4.707 1
1 291 . 6 1 1 A 30 30 ASN H H 30 8.566 7.971 0.595 1
1 292 . 6 1 1 A 30 30 ASN HA H 30 4.422 4.958 -0.536 1
1 297 . 6 1 1 A 30 30 ASN C C 30 172.841 174.424 -1.583 1
1 298 . 6 1 1 A 30 30 ASN CA C 30 53.100 52.370 0.730 1
1 299 . 6 1 1 A 30 30 ASN CB C 30 38.630 39.424 -0.794 1
1 300 . 6 1 1 A 30 30 ASN N N 30 120.808 119.355 1.453 1
1 302 . 6 1 1 A 31 31 GLN H H 31 7.713 7.300 0.413 1
1 303 . 6 1 1 A 31 31 GLN HA H 31 5.672 4.984 0.688 1
1 310 . 6 1 1 A 31 31 GLN C C 31 174.828 174.225 0.603 1
1 311 . 6 1 1 A 31 31 GLN CA C 31 54.730 54.451 0.279 1
1 312 . 6 1 1 A 31 31 GLN CB C 31 32.800 31.834 0.966 1
1 314 . 6 1 1 A 31 31 GLN N N 31 118.262 120.218 -1.956 1
1 316 . 6 1 1 A 32 32 ILE H H 32 9.113 8.704 0.409 1
1 317 . 6 1 1 A 32 32 ILE HA H 32 4.454 4.644 -0.190 1
1 327 . 6 1 1 A 32 32 ILE C C 32 173.439 172.801 0.638 1
1 328 . 6 1 1 A 32 32 ILE CA C 32 59.610 59.363 0.247 1
1 329 . 6 1 1 A 32 32 ILE CB C 32 42.350 41.362 0.988 1
1 333 . 6 1 1 A 32 32 ILE N N 32 124.849 122.604 2.245 1
1 334 . 6 1 1 A 33 33 ASP H H 33 9.066 8.770 0.296 1
1 335 . 6 1 1 A 33 33 ASP HA H 33 5.077 5.060 0.017 1
1 338 . 6 1 1 A 33 33 ASP C C 33 178.378 177.243 1.135 1
1 339 . 6 1 1 A 33 33 ASP CA C 33 53.460 53.621 -0.161 1
1 340 . 6 1 1 A 33 33 ASP CB C 33 43.180 42.891 0.289 1
1 341 . 6 1 1 A 33 33 ASP N N 33 127.594 128.480 -0.886 1
1 342 . 6 1 1 A 34 34 SER H H 34 9.524 9.059 0.465 1
1 343 . 6 1 1 A 34 34 SER HA H 34 3.902 4.341 -0.439 1
1 346 . 6 1 1 A 34 34 SER C C 34 175.876 176.567 -0.691 1
1 347 . 6 1 1 A 34 34 SER CA C 34 61.980 61.553 0.427 1
1 348 . 6 1 1 A 34 34 SER CB C 34 61.510 62.718 -1.208 1
1 349 . 6 1 1 A 34 34 SER N N 34 125.026 121.677 3.349 1
1 350 . 6 1 1 A 35 35 ARG H H 35 9.022 7.973 1.049 1
1 351 . 6 1 1 A 35 35 ARG HA H 35 4.235 4.248 -0.013 1
1 358 . 6 1 1 A 35 35 ARG C C 35 178.661 179.166 -0.505 1
1 359 . 6 1 1 A 35 35 ARG CA C 35 58.840 59.461 -0.621 1
1 360 . 6 1 1 A 35 35 ARG CB C 35 29.970 30.030 -0.060 1
1 363 . 6 1 1 A 35 35 ARG N N 35 122.601 123.776 -1.175 1
1 364 . 6 1 1 A 36 36 GLU H H 36 7.689 8.179 -0.490 1
1 365 . 6 1 1 A 36 36 GLU HA H 36 4.202 3.994 0.208 1
1 370 . 6 1 1 A 36 36 GLU C C 36 177.285 179.266 -1.981 1
1 371 . 6 1 1 A 36 36 GLU CA C 36 57.340 59.050 -1.710 1
1 372 . 6 1 1 A 36 36 GLU CB C 36 30.910 29.353 1.557 1
1 374 . 6 1 1 A 36 36 GLU N N 36 115.420 120.154 -4.734 1
1 375 . 6 1 1 A 37 37 LEU H H 37 7.280 7.541 -0.261 1
1 376 . 6 1 1 A 37 37 LEU HA H 37 3.805 3.877 -0.072 1
1 386 . 6 1 1 A 37 37 LEU C C 37 176.410 177.994 -1.584 1
1 387 . 6 1 1 A 37 37 LEU CA C 37 56.790 57.464 -0.674 1
1 388 . 6 1 1 A 37 37 LEU CB C 37 42.510 41.643 0.867 1
1 392 . 6 1 1 A 37 37 LEU N N 37 117.043 119.732 -2.689 1
1 393 . 6 1 1 A 38 38 PHE H H 38 7.431 8.031 -0.600 1
1 394 . 6 1 1 A 38 38 PHE HA H 38 4.884 4.859 0.025 1
1 402 . 6 1 1 A 38 38 PHE C C 38 176.018 176.143 -0.125 1
1 403 . 6 1 1 A 38 38 PHE CA C 38 57.320 57.599 -0.279 1
1 404 . 6 1 1 A 38 38 PHE CB C 38 38.500 38.424 0.076 1
1 408 . 6 1 1 A 38 38 PHE N N 38 115.439 114.803 0.636 1
1 409 . 6 1 1 A 39 39 THR H H 39 7.632 7.275 0.357 1
1 410 . 6 1 1 A 39 39 THR HA H 39 4.256 4.095 0.161 1
1 415 . 6 1 1 A 39 39 THR C C 39 175.986 176.362 -0.376 1
1 416 . 6 1 1 A 39 39 THR CA C 39 62.630 65.290 -2.660 1
1 417 . 6 1 1 A 39 39 THR CB C 39 69.240 68.879 0.361 1
1 419 . 6 1 1 A 39 39 THR N N 39 112.395 114.845 -2.450 1
1 420 . 6 1 1 A 40 40 VAL H H 40 8.246 7.587 0.659 1
1 421 . 6 1 1 A 40 40 VAL HA H 40 4.121 4.009 0.112 1
1 429 . 6 1 1 A 40 40 VAL C C 40 175.233 175.828 -0.595 1
1 430 . 6 1 1 A 40 40 VAL CA C 40 63.340 64.899 -1.559 1
1 431 . 6 1 1 A 40 40 VAL CB C 40 32.870 31.804 1.066 1
1 434 . 6 1 1 A 40 40 VAL N N 40 118.329 120.707 -2.378 1
1 435 . 6 1 1 A 41 41 ASP H H 41 8.048 8.161 -0.113 1
1 436 . 6 1 1 A 41 41 ASP HA H 41 4.792 4.747 0.045 1
1 439 . 6 1 1 A 41 41 ASP CA C 41 53.950 53.084 0.866 1
1 440 . 6 1 1 A 41 41 ASP CB C 41 43.630 42.753 0.877 1
1 441 . 6 1 1 A 41 41 ASP N N 41 120.465 120.232 0.233 1
1 442 . 6 1 1 A 42 42 ARG H H 42 8.639 8.878 -0.239 1
1 443 . 6 1 1 A 42 42 ARG HA H 42 4.157 4.799 -0.642 1
1 450 . 6 1 1 A 42 42 ARG C C 42 173.606 175.634 -2.028 1
1 451 . 6 1 1 A 42 42 ARG CA C 42 56.340 56.018 0.322 1
1 452 . 6 1 1 A 42 42 ARG CB C 42 29.930 31.429 -1.499 1
1 455 . 6 1 1 A 42 42 ARG N N 42 116.578 122.418 -5.840 1
1 456 . 6 1 1 A 43 43 GLU H H 43 7.452 7.766 -0.314 1
1 457 . 6 1 1 A 43 43 GLU HA H 43 5.413 5.384 0.029 1
1 462 . 6 1 1 A 43 43 GLU C C 43 174.192 174.338 -0.146 1
1 463 . 6 1 1 A 43 43 GLU CA C 43 55.100 55.912 -0.812 1
1 464 . 6 1 1 A 43 43 GLU CB C 43 34.110 33.240 0.870 1
1 466 . 6 1 1 A 43 43 GLU N N 43 116.369 119.247 -2.878 1
1 467 . 6 1 1 A 44 44 ILE H H 44 9.056 9.568 -0.512 1
1 468 . 6 1 1 A 44 44 ILE HA H 44 4.696 5.070 -0.374 1
1 478 . 6 1 1 A 44 44 ILE C C 44 173.831 174.914 -1.083 1
1 479 . 6 1 1 A 44 44 ILE CA C 44 58.070 59.837 -1.767 1
1 480 . 6 1 1 A 44 44 ILE CB C 44 41.140 41.364 -0.224 1
1 484 . 6 1 1 A 44 44 ILE N N 44 123.963 127.023 -3.060 1
1 485 . 6 1 1 A 45 45 VAL H H 45 8.740 9.112 -0.372 1
1 486 . 6 1 1 A 45 45 VAL HA H 45 4.850 4.945 -0.095 1
1 494 . 6 1 1 A 45 45 VAL C C 45 175.175 175.093 0.082 1
1 495 . 6 1 1 A 45 45 VAL CA C 45 60.990 61.342 -0.352 1
1 496 . 6 1 1 A 45 45 VAL CB C 45 33.810 32.425 1.385 1
1 499 . 6 1 1 A 45 45 VAL N N 45 126.299 127.629 -1.330 1
1 500 . 6 1 1 A 46 46 ILE H H 46 9.367 9.123 0.244 1
1 501 . 6 1 1 A 46 46 ILE HA H 46 4.830 4.540 0.290 1
1 511 . 6 1 1 A 46 46 ILE C C 46 175.433 175.582 -0.149 1
1 512 . 6 1 1 A 46 46 ILE CA C 46 59.350 60.573 -1.223 1
1 513 . 6 1 1 A 46 46 ILE CB C 46 39.410 38.059 1.351 1
1 517 . 6 1 1 A 46 46 ILE N N 46 126.797 128.817 -2.020 1
1 518 . 6 1 1 A 47 47 ALA H H 47 9.173 8.771 0.402 1
1 519 . 6 1 1 A 47 47 ALA HA H 47 4.790 5.194 -0.404 1
1 523 . 6 1 1 A 47 47 ALA C C 47 175.394 176.615 -1.221 1
1 524 . 6 1 1 A 47 47 ALA CA C 47 51.500 51.428 0.072 1
1 525 . 6 1 1 A 47 47 ALA CB C 47 19.020 20.795 -1.775 1
1 526 . 6 1 1 A 47 47 ALA N N 47 131.668 131.420 0.248 1
1 527 . 6 1 1 A 48 48 HIS H H 48 8.473 9.136 -0.663 1
1 528 . 6 1 1 A 48 48 HIS HA H 48 5.394 4.901 0.493 1
1 533 . 6 1 1 A 48 48 HIS C C 48 175.182 175.083 0.099 1
1 534 . 6 1 1 A 48 48 HIS CA C 48 54.520 55.408 -0.888 1
1 535 . 6 1 1 A 48 48 HIS CB C 48 33.190 32.078 1.112 1
1 538 . 6 1 1 A 48 48 HIS N N 48 126.144 122.750 3.394 1
1 539 . 6 1 1 A 49 49 GLY H H 49 8.847 8.958 -0.111 1
1 540 . 6 1 1 A 49 49 GLY HA2 H 49 3.795 3.563 0.232 1
1 541 . 6 1 1 A 49 49 GLY HA3 H 49 3.549 3.628 -0.079 1
1 542 . 6 1 1 A 49 49 GLY CA C 49 46.950 47.066 -0.116 1
1 543 . 6 1 1 A 49 49 GLY N N 49 117.318 115.954 1.364 1
1 544 . 6 1 1 A 50 50 ASP HA H 50 4.639 4.735 -0.096 1
1 547 . 6 1 1 A 50 50 ASP C C 50 175.825 175.206 0.619 1
1 548 . 6 1 1 A 50 50 ASP CA C 50 55.070 54.042 1.028 1
1 549 . 6 1 1 A 50 50 ASP CB C 50 31.070 42.998 -11.928 1
1 550 . 6 1 1 A 51 51 ASP H H 51 8.166 7.479 0.687 1
1 551 . 6 1 1 A 51 51 ASP HA H 51 4.810 4.747 0.063 1
1 554 . 6 1 1 A 51 51 ASP C C 51 176.635 175.457 1.178 1
1 555 . 6 1 1 A 51 51 ASP CA C 51 53.950 53.933 0.017 1
1 556 . 6 1 1 A 51 51 ASP CB C 51 43.250 42.084 1.166 1
1 557 . 6 1 1 A 51 51 ASP N N 51 120.310 119.138 1.172 1
1 558 . 6 1 1 A 52 52 ARG H H 52 8.784 8.456 0.328 1
1 559 . 6 1 1 A 52 52 ARG HA H 52 4.970 5.210 -0.240 1
1 566 . 6 1 1 A 52 52 ARG C C 52 174.757 174.722 0.035 1
1 567 . 6 1 1 A 52 52 ARG CA C 52 54.250 54.851 -0.601 1
1 568 . 6 1 1 A 52 52 ARG CB C 52 31.440 32.509 -1.069 1
1 571 . 6 1 1 A 52 52 ARG N N 52 123.348 120.050 3.298 1
1 572 . 6 1 1 A 53 53 TYR H H 53 8.850 9.536 -0.686 1
1 573 . 6 1 1 A 53 53 TYR HA H 53 4.806 5.323 -0.517 1
1 580 . 6 1 1 A 53 53 TYR C C 53 174.989 175.280 -0.291 1
1 581 . 6 1 1 A 53 53 TYR CA C 53 56.850 56.767 0.083 1
1 582 . 6 1 1 A 53 53 TYR CB C 53 41.480 42.508 -1.028 1
1 585 . 6 1 1 A 53 53 TYR N N 53 122.391 122.994 -0.603 1
1 586 . 6 1 1 A 54 54 ARG H H 54 9.387 9.032 0.355 1
1 587 . 6 1 1 A 54 54 ARG HA H 54 4.936 5.261 -0.325 1
1 594 . 6 1 1 A 54 54 ARG C C 54 174.076 174.562 -0.486 1
1 595 . 6 1 1 A 54 54 ARG CA C 54 55.100 54.816 0.284 1
1 596 . 6 1 1 A 54 54 ARG CB C 54 31.750 32.462 -0.712 1
1 599 . 6 1 1 A 54 54 ARG N N 54 120.797 120.726 0.071 1
1 600 . 6 1 1 A 55 55 LEU H H 55 9.271 8.981 0.290 1
1 601 . 6 1 1 A 55 55 LEU HA H 55 5.237 5.078 0.159 1
1 611 . 6 1 1 A 55 55 LEU C C 55 174.841 175.685 -0.844 1
1 612 . 6 1 1 A 55 55 LEU CA C 55 53.590 54.553 -0.963 1
1 613 . 6 1 1 A 55 55 LEU CB C 55 43.470 43.392 0.078 1
1 617 . 6 1 1 A 55 55 LEU N N 55 128.735 127.906 0.829 1
1 618 . 6 1 1 A 56 56 ARG H H 56 9.000 9.312 -0.312 1
1 619 . 6 1 1 A 56 56 ARG HA H 56 5.110 5.051 0.059 1
1 626 . 6 1 1 A 56 56 ARG C C 56 173.413 173.388 0.025 1
1 627 . 6 1 1 A 56 56 ARG CA C 56 54.440 54.434 0.006 1
1 628 . 6 1 1 A 56 56 ARG CB C 56 34.540 33.654 0.886 1
1 631 . 6 1 1 A 56 56 ARG N N 56 125.280 128.527 -3.247 1
1 632 . 6 1 1 A 57 57 LEU H H 57 7.631 8.554 -0.923 1
1 633 . 6 1 1 A 57 57 LEU HA H 57 4.667 4.839 -0.172 1
1 643 . 6 1 1 A 57 57 LEU C C 57 177.709 176.501 1.208 1
1 644 . 6 1 1 A 57 57 LEU CA C 57 52.710 52.976 -0.266 1
1 645 . 6 1 1 A 57 57 LEU CB C 57 42.480 44.755 -2.275 1
1 649 . 6 1 1 A 57 57 LEU N N 57 122.967 127.748 -4.781 1
1 650 . 6 1 1 A 58 58 THR H H 58 9.001 8.632 0.369 1
1 651 . 6 1 1 A 58 58 THR HA H 58 4.508 4.631 -0.123 1
1 656 . 6 1 1 A 58 58 THR CA C 58 60.440 60.218 0.222 1
1 657 . 6 1 1 A 58 58 THR CB C 58 71.960 71.475 0.485 1
1 659 . 6 1 1 A 58 58 THR N N 58 116.533 115.319 1.214 1
1 660 . 6 1 1 A 60 60 GLN HA H 60 4.433 4.537 -0.104 1
1 665 . 6 1 1 A 60 60 GLN C C 60 174.738 176.263 -1.525 1
1 666 . 6 1 1 A 60 60 GLN CA C 60 55.280 55.800 -0.520 1
1 667 . 6 1 1 A 60 60 GLN CB C 60 28.190 30.559 -2.369 1
1 669 . 6 1 1 A 61 61 ASN H H 61 8.333 7.946 0.387 1
1 670 . 6 1 1 A 61 61 ASN HA H 61 4.262 4.536 -0.274 1
1 675 . 6 1 1 A 61 61 ASN C C 61 174.725 175.033 -0.308 1
1 676 . 6 1 1 A 61 61 ASN CA C 61 54.130 55.478 -1.348 1
1 677 . 6 1 1 A 61 61 ASN CB C 61 37.560 38.792 -1.232 1
1 678 . 6 1 1 A 61 61 ASN N N 61 116.480 118.641 -2.161 1
1 680 . 6 1 1 A 62 62 LYS H H 62 7.111 7.919 -0.808 1
1 681 . 6 1 1 A 62 62 LYS HA H 62 4.520 4.659 -0.139 1
1 690 . 6 1 1 A 62 62 LYS C C 62 174.057 173.996 0.061 1
1 691 . 6 1 1 A 62 62 LYS CA C 62 53.930 54.777 -0.847 1
1 692 . 6 1 1 A 62 62 LYS CB C 62 34.060 34.793 -0.733 1
1 696 . 6 1 1 A 62 62 LYS N N 62 116.535 114.272 2.263 1
1 697 . 6 1 1 A 63 63 LEU H H 63 6.706 8.530 -1.824 1
1 698 . 6 1 1 A 63 63 LEU HA H 63 5.093 5.259 -0.166 1
1 708 . 6 1 1 A 63 63 LEU C C 63 175.503 174.959 0.544 1
1 709 . 6 1 1 A 63 63 LEU CA C 63 53.330 52.719 0.611 1
1 710 . 6 1 1 A 63 63 LEU CB C 63 43.280 46.209 -2.929 1
1 714 . 6 1 1 A 63 63 LEU N N 63 119.236 113.858 5.378 1
1 715 . 6 1 1 A 64 64 ILE H H 64 8.471 8.932 -0.461 1
1 716 . 6 1 1 A 64 64 ILE HA H 64 4.429 5.039 -0.610 1
1 726 . 6 1 1 A 64 64 ILE C C 64 172.642 173.496 -0.854 1
1 727 . 6 1 1 A 64 64 ILE CA C 64 59.520 58.809 0.711 1
1 728 . 6 1 1 A 64 64 ILE CB C 64 42.740 42.458 0.282 1
1 732 . 6 1 1 A 64 64 ILE N N 64 116.258 113.844 2.414 1
1 733 . 6 1 1 A 65 65 LEU H H 65 8.429 8.894 -0.465 1
1 734 . 6 1 1 A 65 65 LEU HA H 65 5.543 5.319 0.224 1
1 744 . 6 1 1 A 65 65 LEU C C 65 176.050 174.769 1.281 1
1 745 . 6 1 1 A 65 65 LEU CA C 65 53.230 53.495 -0.265 1
1 746 . 6 1 1 A 65 65 LEU CB C 65 46.610 44.492 2.118 1
1 750 . 6 1 1 A 65 65 LEU N N 65 125.259 124.350 0.909 1
1 751 . 6 1 1 A 66 66 THR H H 66 9.302 9.222 0.080 1
1 752 . 6 1 1 A 66 66 THR HA H 66 4.905 5.065 -0.160 1
1 757 . 6 1 1 A 66 66 THR C C 66 172.436 172.642 -0.206 1
1 758 . 6 1 1 A 66 66 THR CA C 66 59.850 59.370 0.480 1
1 759 . 6 1 1 A 66 66 THR CB C 66 71.650 71.589 0.061 1
1 761 . 6 1 1 A 66 66 THR N N 66 121.417 120.938 0.479 1
1 7 . 7 1 1 A 2 2 MET H H 2 8.334 8.274 0.060 1
1 8 . 7 1 1 A 2 2 MET HA H 2 4.432 4.780 -0.348 1
1 16 . 7 1 1 A 2 2 MET C C 2 176.391 175.444 0.947 1
1 17 . 7 1 1 A 2 2 MET CA C 2 55.880 53.700 2.180 1
1 18 . 7 1 1 A 2 2 MET CB C 2 32.400 32.077 0.323 1
1 21 . 7 1 1 A 2 2 MET N N 2 121.118 118.437 2.681 1
1 22 . 7 1 1 A 3 3 THR H H 3 8.177 8.367 -0.190 1
1 23 . 7 1 1 A 3 3 THR HA H 3 4.338 5.106 -0.768 1
1 28 . 7 1 1 A 3 3 THR C C 3 174.455 174.389 0.066 1
1 29 . 7 1 1 A 3 3 THR CA C 3 61.410 59.851 1.559 1
1 30 . 7 1 1 A 3 3 THR CB C 3 69.710 71.504 -1.794 1
1 32 . 7 1 1 A 3 3 THR N N 3 115.029 114.804 0.225 1
1 33 . 7 1 1 A 4 4 ALA H H 4 8.429 8.669 -0.240 1
1 34 . 7 1 1 A 4 4 ALA HA H 4 4.303 4.412 -0.109 1
1 38 . 7 1 1 A 4 4 ALA C C 4 178.127 178.859 -0.732 1
1 39 . 7 1 1 A 4 4 ALA CA C 4 52.580 52.349 0.231 1
1 40 . 7 1 1 A 4 4 ALA CB C 4 19.370 19.000 0.370 1
1 41 . 7 1 1 A 4 4 ALA N N 4 126.222 125.731 0.491 1
1 42 . 7 1 1 A 5 5 SER H H 5 8.257 9.023 -0.766 1
1 43 . 7 1 1 A 5 5 SER HA H 5 4.352 4.441 -0.089 1
1 46 . 7 1 1 A 5 5 SER C C 5 174.687 174.069 0.618 1
1 47 . 7 1 1 A 5 5 SER CA C 5 58.790 59.376 -0.586 1
1 48 . 7 1 1 A 5 5 SER CB C 5 63.720 63.451 0.269 1
1 49 . 7 1 1 A 5 5 SER N N 5 114.762 120.037 -5.275 1
1 50 . 7 1 1 A 6 6 ASP H H 6 8.186 7.592 0.594 1
1 51 . 7 1 1 A 6 6 ASP HA H 6 4.547 4.352 0.195 1
1 54 . 7 1 1 A 6 6 ASP C C 6 176.423 177.750 -1.327 1
1 55 . 7 1 1 A 6 6 ASP CA C 6 54.760 54.584 0.176 1
1 56 . 7 1 1 A 6 6 ASP CB C 6 41.110 41.654 -0.544 1
1 57 . 7 1 1 A 6 6 ASP N N 6 122.104 121.508 0.596 1
1 58 . 7 1 1 A 7 7 ARG H H 7 8.063 8.588 -0.525 1
1 59 . 7 1 1 A 7 7 ARG HA H 7 4.276 4.414 -0.138 1
1 66 . 7 1 1 A 7 7 ARG C C 7 176.455 175.695 0.760 1
1 67 . 7 1 1 A 7 7 ARG CA C 7 56.310 55.408 0.902 1
1 68 . 7 1 1 A 7 7 ARG CB C 7 30.470 29.085 1.385 1
1 71 . 7 1 1 A 7 7 ARG N N 7 120.343 123.883 -3.540 1
1 72 . 7 1 1 A 8 8 LEU H H 8 8.157 7.710 0.447 1
1 73 . 7 1 1 A 8 8 LEU HA H 8 4.288 3.932 0.356 1
1 83 . 7 1 1 A 8 8 LEU C C 8 177.940 176.220 1.720 1
1 84 . 7 1 1 A 8 8 LEU CA C 8 55.630 56.171 -0.541 1
1 85 . 7 1 1 A 8 8 LEU CB C 8 42.540 39.808 2.732 1
1 89 . 7 1 1 A 8 8 LEU N N 8 122.546 114.897 7.649 1
1 90 . 7 1 1 A 9 9 GLY H H 9 8.290 8.015 0.275 1
1 91 . 7 1 1 A 9 9 GLY HA2 H 9 3.896 3.878 0.018 1
1 92 . 7 1 1 A 9 9 GLY HA3 H 9 3.896 3.878 0.018 1
1 93 . 7 1 1 A 9 9 GLY C C 9 173.664 173.034 0.630 1
1 94 . 7 1 1 A 9 9 GLY CA C 9 45.320 46.364 -1.044 1
1 95 . 7 1 1 A 9 9 GLY N N 9 109.549 106.835 2.714 1
1 96 . 7 1 1 A 10 10 ALA H H 10 7.980 8.034 -0.054 1
1 97 . 7 1 1 A 10 10 ALA HA H 10 4.276 4.986 -0.710 1
1 101 . 7 1 1 A 10 10 ALA C C 10 177.182 174.676 2.506 1
1 102 . 7 1 1 A 10 10 ALA CA C 10 52.130 51.124 1.006 1
1 103 . 7 1 1 A 10 10 ALA CB C 10 19.460 23.558 -4.098 1
1 104 . 7 1 1 A 10 10 ALA N N 10 123.266 126.053 -2.787 1
1 105 . 7 1 1 A 11 11 ASP H H 11 8.292 8.871 -0.579 1
1 106 . 7 1 1 A 11 11 ASP HA H 11 4.840 5.231 -0.391 1
1 109 . 7 1 1 A 11 11 ASP CA C 11 51.950 50.833 1.117 1
1 110 . 7 1 1 A 11 11 ASP CB C 11 41.320 42.219 -0.899 1
1 111 . 7 1 1 A 11 11 ASP N N 11 120.930 121.497 -0.567 1
1 112 . 7 1 1 A 12 12 PRO HA H 12 4.450 4.597 -0.147 1
1 119 . 7 1 1 A 12 12 PRO C C 12 177.670 176.115 1.555 1
1 120 . 7 1 1 A 12 12 PRO CA C 12 63.940 63.746 0.194 1
1 121 . 7 1 1 A 12 12 PRO CB C 12 32.180 33.076 -0.896 1
1 124 . 7 1 1 A 13 13 THR H H 13 8.304 7.515 0.789 1
1 125 . 7 1 1 A 13 13 THR HA H 13 4.234 4.432 -0.198 1
1 130 . 7 1 1 A 13 13 THR C C 13 175.085 173.859 1.226 1
1 131 . 7 1 1 A 13 13 THR CA C 13 62.770 62.119 0.651 1
1 132 . 7 1 1 A 13 13 THR CB C 13 69.509 68.598 0.911 1
1 134 . 7 1 1 A 13 13 THR N N 13 112.749 115.032 -2.283 1
1 135 . 7 1 1 A 14 14 GLN H H 14 7.963 8.382 -0.419 1
1 136 . 7 1 1 A 14 14 GLN HA H 14 4.282 4.647 -0.365 1
1 141 . 7 1 1 A 14 14 GLN C C 14 175.773 173.901 1.872 1
1 142 . 7 1 1 A 14 14 GLN CA C 14 55.770 55.896 -0.126 1
1 143 . 7 1 1 A 14 14 GLN CB C 14 29.440 31.517 -2.077 1
1 145 . 7 1 1 A 14 14 GLN N N 14 121.849 128.611 -6.762 1
1 146 . 7 1 1 A 15 15 ALA H H 15 8.150 8.620 -0.470 1
1 147 . 7 1 1 A 15 15 ALA HA H 15 4.237 5.072 -0.835 1
1 151 . 7 1 1 A 15 15 ALA C C 15 177.587 176.463 1.124 1
1 152 . 7 1 1 A 15 15 ALA CA C 15 52.750 50.462 2.288 1
1 153 . 7 1 1 A 15 15 ALA CB C 15 19.180 21.058 -1.878 1
1 154 . 7 1 1 A 15 15 ALA N N 15 125.125 129.384 -4.259 1
1 155 . 7 1 1 A 16 16 ALA H H 16 8.234 8.553 -0.319 1
1 156 . 7 1 1 A 16 16 ALA HA H 16 4.291 4.241 0.050 1
1 160 . 7 1 1 A 16 16 ALA C C 16 177.741 177.390 0.351 1
1 161 . 7 1 1 A 16 16 ALA CA C 16 52.410 52.860 -0.450 1
1 162 . 7 1 1 A 16 16 ALA CB C 16 19.130 19.223 -0.093 1
1 163 . 7 1 1 A 16 16 ALA N N 16 123.189 126.429 -3.240 1
1 164 . 7 1 1 A 17 17 SER H H 17 8.162 8.646 -0.484 1
1 165 . 7 1 1 A 17 17 SER HA H 17 4.431 4.440 -0.009 1
1 168 . 7 1 1 A 17 17 SER CA C 17 58.160 59.913 -1.753 1
1 169 . 7 1 1 A 17 17 SER CB C 17 64.030 63.011 1.019 1
1 170 . 7 1 1 A 17 17 SER N N 17 114.762 120.403 -5.641 1
1 171 . 7 1 1 A 18 18 SER H H 18 8.246 8.621 -0.375 1
1 172 . 7 1 1 A 18 18 SER HA H 18 4.747 4.643 0.104 1
1 173 . 7 1 1 A 18 18 SER CA C 18 58.640 56.547 2.093 1
1 174 . 7 1 1 A 18 18 SER N N 18 118.482 122.286 -3.804 1
1 175 . 7 1 1 A 19 19 PRO HA H 19 4.426 4.680 -0.254 1
1 182 . 7 1 1 A 19 19 PRO CA C 19 63.790 62.880 0.910 1
1 183 . 7 1 1 A 19 19 PRO CB C 19 32.220 32.448 -0.228 1
1 186 . 7 1 1 A 20 20 GLY H H 20 8.452 8.062 0.390 1
1 187 . 7 1 1 A 20 20 GLY HA2 H 20 3.938 4.052 -0.114 1
1 188 . 7 1 1 A 20 20 GLY HA3 H 20 3.938 4.055 -0.117 1
1 189 . 7 1 1 A 20 20 GLY C C 20 174.674 174.031 0.643 1
1 190 . 7 1 1 A 20 20 GLY CA C 20 45.330 44.523 0.807 1
1 191 . 7 1 1 A 20 20 GLY N N 20 109.329 107.274 2.055 1
1 192 . 7 1 1 A 21 21 GLY H H 21 8.217 8.653 -0.436 1
1 193 . 7 1 1 A 21 21 GLY HA2 H 21 3.946 4.084 -0.138 1
1 194 . 7 1 1 A 21 21 GLY HA3 H 21 3.946 4.085 -0.139 1
1 195 . 7 1 1 A 21 21 GLY C C 21 173.555 172.768 0.787 1
1 196 . 7 1 1 A 21 21 GLY CA C 21 45.390 44.699 0.691 1
1 197 . 7 1 1 A 21 21 GLY N N 21 108.749 108.751 -0.002 1
1 198 . 7 1 1 A 22 22 ALA H H 22 8.147 8.130 0.017 1
1 199 . 7 1 1 A 22 22 ALA HA H 22 4.866 4.909 -0.043 1
1 203 . 7 1 1 A 22 22 ALA C C 22 176.931 177.271 -0.340 1
1 204 . 7 1 1 A 22 22 ALA CA C 22 51.910 50.910 1.000 1
1 205 . 7 1 1 A 22 22 ALA CB C 22 20.490 20.356 0.134 1
1 206 . 7 1 1 A 22 22 ALA N N 22 124.041 122.603 1.438 1
1 207 . 7 1 1 A 23 23 ARG H H 23 8.699 9.109 -0.410 1
1 208 . 7 1 1 A 23 23 ARG HA H 23 4.641 5.044 -0.403 1
1 215 . 7 1 1 A 23 23 ARG C C 23 173.587 174.560 -0.973 1
1 216 . 7 1 1 A 23 23 ARG CA C 23 55.000 54.479 0.521 1
1 217 . 7 1 1 A 23 23 ARG CB C 23 32.420 33.645 -1.225 1
1 220 . 7 1 1 A 23 23 ARG N N 23 120.753 120.833 -0.080 1
1 221 . 7 1 1 A 24 24 ALA H H 24 8.408 8.950 -0.542 1
1 222 . 7 1 1 A 24 24 ALA HA H 24 5.145 5.427 -0.282 1
1 226 . 7 1 1 A 24 24 ALA C C 24 177.092 176.905 0.187 1
1 227 . 7 1 1 A 24 24 ALA CA C 24 51.160 50.305 0.855 1
1 228 . 7 1 1 A 24 24 ALA CB C 24 21.490 20.905 0.585 1
1 229 . 7 1 1 A 24 24 ALA N N 24 124.606 124.811 -0.205 1
1 230 . 7 1 1 A 25 25 VAL H H 25 8.842 9.080 -0.238 1
1 231 . 7 1 1 A 25 25 VAL HA H 25 4.411 4.868 -0.457 1
1 239 . 7 1 1 A 25 25 VAL C C 25 174.558 174.515 0.043 1
1 240 . 7 1 1 A 25 25 VAL CA C 25 60.160 59.348 0.812 1
1 241 . 7 1 1 A 25 25 VAL CB C 25 34.450 34.864 -0.414 1
1 244 . 7 1 1 A 25 25 VAL N N 25 120.299 117.666 2.633 1
1 245 . 7 1 1 A 26 26 SER H H 26 8.744 8.698 0.046 1
1 246 . 7 1 1 A 26 26 SER HA H 26 4.747 5.127 -0.380 1
1 249 . 7 1 1 A 26 26 SER C C 26 173.304 173.065 0.239 1
1 250 . 7 1 1 A 26 26 SER CA C 26 58.720 57.659 1.061 1
1 251 . 7 1 1 A 26 26 SER CB C 26 63.910 65.229 -1.319 1
1 252 . 7 1 1 A 26 26 SER N N 26 121.229 120.044 1.185 1
1 253 . 7 1 1 A 27 27 ILE H H 27 8.716 8.865 -0.149 1
1 254 . 7 1 1 A 27 27 ILE HA H 27 4.360 4.976 -0.616 1
1 264 . 7 1 1 A 27 27 ILE C C 27 175.478 174.388 1.090 1
1 265 . 7 1 1 A 27 27 ILE CA C 27 60.670 60.337 0.333 1
1 266 . 7 1 1 A 27 27 ILE CB C 27 39.210 40.867 -1.657 1
1 270 . 7 1 1 A 27 27 ILE N N 27 124.450 123.414 1.036 1
1 271 . 7 1 1 A 28 28 VAL H H 28 8.426 8.553 -0.127 1
1 272 . 7 1 1 A 28 28 VAL HA H 28 4.298 4.760 -0.462 1
1 280 . 7 1 1 A 28 28 VAL CA C 28 61.850 60.984 0.866 1
1 281 . 7 1 1 A 28 28 VAL CB C 28 32.790 32.877 -0.087 1
1 284 . 7 1 1 A 28 28 VAL N N 28 128.723 123.898 4.825 1
1 285 . 7 1 1 A 29 29 GLY H H 29 8.953 8.882 0.071 1
1 286 . 7 1 1 A 29 29 GLY HA2 H 29 3.988 3.894 0.094 1
1 287 . 7 1 1 A 29 29 GLY HA3 H 29 3.725 3.894 -0.169 1
1 288 . 7 1 1 A 29 29 GLY C C 29 176.487 174.303 2.184 1
1 289 . 7 1 1 A 29 29 GLY CA C 29 47.610 46.721 0.889 1
1 290 . 7 1 1 A 29 29 GLY N N 29 120.095 115.315 4.780 1
1 291 . 7 1 1 A 30 30 ASN H H 30 8.566 7.955 0.611 1
1 292 . 7 1 1 A 30 30 ASN HA H 30 4.422 4.956 -0.534 1
1 297 . 7 1 1 A 30 30 ASN C C 30 172.841 174.402 -1.561 1
1 298 . 7 1 1 A 30 30 ASN CA C 30 53.100 52.435 0.665 1
1 299 . 7 1 1 A 30 30 ASN CB C 30 38.630 39.408 -0.778 1
1 300 . 7 1 1 A 30 30 ASN N N 30 120.808 118.129 2.679 1
1 302 . 7 1 1 A 31 31 GLN H H 31 7.713 7.415 0.298 1
1 303 . 7 1 1 A 31 31 GLN HA H 31 5.672 5.026 0.646 1
1 310 . 7 1 1 A 31 31 GLN C C 31 174.828 174.264 0.564 1
1 311 . 7 1 1 A 31 31 GLN CA C 31 54.730 54.412 0.318 1
1 312 . 7 1 1 A 31 31 GLN CB C 31 32.800 32.043 0.757 1
1 314 . 7 1 1 A 31 31 GLN N N 31 118.262 120.291 -2.029 1
1 316 . 7 1 1 A 32 32 ILE H H 32 9.113 8.673 0.440 1
1 317 . 7 1 1 A 32 32 ILE HA H 32 4.454 4.688 -0.234 1
1 327 . 7 1 1 A 32 32 ILE C C 32 173.439 172.806 0.633 1
1 328 . 7 1 1 A 32 32 ILE CA C 32 59.610 59.331 0.279 1
1 329 . 7 1 1 A 32 32 ILE CB C 32 42.350 41.457 0.893 1
1 333 . 7 1 1 A 32 32 ILE N N 32 124.849 123.152 1.697 1
1 334 . 7 1 1 A 33 33 ASP H H 33 9.066 8.814 0.252 1
1 335 . 7 1 1 A 33 33 ASP HA H 33 5.077 5.009 0.068 1
1 338 . 7 1 1 A 33 33 ASP C C 33 178.378 177.293 1.085 1
1 339 . 7 1 1 A 33 33 ASP CA C 33 53.460 53.565 -0.105 1
1 340 . 7 1 1 A 33 33 ASP CB C 33 43.180 42.814 0.366 1
1 341 . 7 1 1 A 33 33 ASP N N 33 127.594 128.511 -0.917 1
1 342 . 7 1 1 A 34 34 SER H H 34 9.524 9.119 0.405 1
1 343 . 7 1 1 A 34 34 SER HA H 34 3.902 4.398 -0.496 1
1 346 . 7 1 1 A 34 34 SER C C 34 175.876 176.980 -1.104 1
1 347 . 7 1 1 A 34 34 SER CA C 34 61.980 61.346 0.634 1
1 348 . 7 1 1 A 34 34 SER CB C 34 61.510 62.930 -1.420 1
1 349 . 7 1 1 A 34 34 SER N N 34 125.026 121.318 3.708 1
1 350 . 7 1 1 A 35 35 ARG H H 35 9.022 8.090 0.932 1
1 351 . 7 1 1 A 35 35 ARG HA H 35 4.235 4.196 0.039 1
1 358 . 7 1 1 A 35 35 ARG C C 35 178.661 178.656 0.005 1
1 359 . 7 1 1 A 35 35 ARG CA C 35 58.840 58.965 -0.125 1
1 360 . 7 1 1 A 35 35 ARG CB C 35 29.970 29.647 0.323 1
1 363 . 7 1 1 A 35 35 ARG N N 35 122.601 122.513 0.088 1
1 364 . 7 1 1 A 36 36 GLU H H 36 7.689 8.150 -0.461 1
1 365 . 7 1 1 A 36 36 GLU HA H 36 4.202 4.069 0.133 1
1 370 . 7 1 1 A 36 36 GLU C C 36 177.285 179.402 -2.117 1
1 371 . 7 1 1 A 36 36 GLU CA C 36 57.340 58.870 -1.530 1
1 372 . 7 1 1 A 36 36 GLU CB C 36 30.910 29.440 1.470 1
1 374 . 7 1 1 A 36 36 GLU N N 36 115.420 119.374 -3.954 1
1 375 . 7 1 1 A 37 37 LEU H H 37 7.280 8.179 -0.899 1
1 376 . 7 1 1 A 37 37 LEU HA H 37 3.805 3.930 -0.125 1
1 386 . 7 1 1 A 37 37 LEU C C 37 176.410 177.812 -1.402 1
1 387 . 7 1 1 A 37 37 LEU CA C 37 56.790 57.540 -0.750 1
1 388 . 7 1 1 A 37 37 LEU CB C 37 42.510 41.827 0.683 1
1 392 . 7 1 1 A 37 37 LEU N N 37 117.043 119.863 -2.820 1
1 393 . 7 1 1 A 38 38 PHE H H 38 7.431 8.072 -0.641 1
1 394 . 7 1 1 A 38 38 PHE HA H 38 4.884 4.792 0.092 1
1 402 . 7 1 1 A 38 38 PHE C C 38 176.018 176.249 -0.231 1
1 403 . 7 1 1 A 38 38 PHE CA C 38 57.320 57.411 -0.091 1
1 404 . 7 1 1 A 38 38 PHE CB C 38 38.500 38.573 -0.073 1
1 408 . 7 1 1 A 38 38 PHE N N 38 115.439 115.133 0.306 1
1 409 . 7 1 1 A 39 39 THR H H 39 7.632 7.692 -0.060 1
1 410 . 7 1 1 A 39 39 THR HA H 39 4.256 4.098 0.158 1
1 415 . 7 1 1 A 39 39 THR C C 39 175.986 175.243 0.743 1
1 416 . 7 1 1 A 39 39 THR CA C 39 62.630 64.956 -2.326 1
1 417 . 7 1 1 A 39 39 THR CB C 39 69.240 69.040 0.200 1
1 419 . 7 1 1 A 39 39 THR N N 39 112.395 114.885 -2.490 1
1 420 . 7 1 1 A 40 40 VAL H H 40 8.246 7.630 0.616 1
1 421 . 7 1 1 A 40 40 VAL HA H 40 4.121 4.409 -0.288 1
1 429 . 7 1 1 A 40 40 VAL C C 40 175.233 174.495 0.738 1
1 430 . 7 1 1 A 40 40 VAL CA C 40 63.340 60.643 2.697 1
1 431 . 7 1 1 A 40 40 VAL CB C 40 32.870 31.590 1.280 1
1 434 . 7 1 1 A 40 40 VAL N N 40 118.329 114.451 3.878 1
1 435 . 7 1 1 A 41 41 ASP H H 41 8.048 8.267 -0.219 1
1 436 . 7 1 1 A 41 41 ASP HA H 41 4.792 5.081 -0.289 1
1 439 . 7 1 1 A 41 41 ASP CA C 41 53.950 54.017 -0.067 1
1 440 . 7 1 1 A 41 41 ASP CB C 41 43.630 44.123 -0.493 1
1 441 . 7 1 1 A 41 41 ASP N N 41 120.465 122.592 -2.127 1
1 442 . 7 1 1 A 42 42 ARG H H 42 8.639 8.926 -0.287 1
1 443 . 7 1 1 A 42 42 ARG HA H 42 4.157 4.642 -0.485 1
1 450 . 7 1 1 A 42 42 ARG C C 42 173.606 175.559 -1.953 1
1 451 . 7 1 1 A 42 42 ARG CA C 42 56.340 56.720 -0.380 1
1 452 . 7 1 1 A 42 42 ARG CB C 42 29.930 32.817 -2.887 1
1 455 . 7 1 1 A 42 42 ARG N N 42 116.578 123.078 -6.500 1
1 456 . 7 1 1 A 43 43 GLU H H 43 7.452 8.309 -0.857 1
1 457 . 7 1 1 A 43 43 GLU HA H 43 5.413 5.398 0.015 1
1 462 . 7 1 1 A 43 43 GLU C C 43 174.192 174.312 -0.120 1
1 463 . 7 1 1 A 43 43 GLU CA C 43 55.100 56.057 -0.957 1
1 464 . 7 1 1 A 43 43 GLU CB C 43 34.110 33.391 0.719 1
1 466 . 7 1 1 A 43 43 GLU N N 43 116.369 117.931 -1.562 1
1 467 . 7 1 1 A 44 44 ILE H H 44 9.056 9.500 -0.444 1
1 468 . 7 1 1 A 44 44 ILE HA H 44 4.696 4.977 -0.281 1
1 478 . 7 1 1 A 44 44 ILE C C 44 173.831 174.776 -0.945 1
1 479 . 7 1 1 A 44 44 ILE CA C 44 58.070 59.768 -1.698 1
1 480 . 7 1 1 A 44 44 ILE CB C 44 41.140 41.578 -0.438 1
1 484 . 7 1 1 A 44 44 ILE N N 44 123.963 126.660 -2.697 1
1 485 . 7 1 1 A 45 45 VAL H H 45 8.740 8.943 -0.203 1
1 486 . 7 1 1 A 45 45 VAL HA H 45 4.850 5.024 -0.174 1
1 494 . 7 1 1 A 45 45 VAL C C 45 175.175 174.969 0.206 1
1 495 . 7 1 1 A 45 45 VAL CA C 45 60.990 61.411 -0.421 1
1 496 . 7 1 1 A 45 45 VAL CB C 45 33.810 32.510 1.300 1
1 499 . 7 1 1 A 45 45 VAL N N 45 126.299 126.897 -0.598 1
1 500 . 7 1 1 A 46 46 ILE H H 46 9.367 9.204 0.163 1
1 501 . 7 1 1 A 46 46 ILE HA H 46 4.830 4.650 0.180 1
1 511 . 7 1 1 A 46 46 ILE C C 46 175.433 175.533 -0.100 1
1 512 . 7 1 1 A 46 46 ILE CA C 46 59.350 60.525 -1.175 1
1 513 . 7 1 1 A 46 46 ILE CB C 46 39.410 38.085 1.325 1
1 517 . 7 1 1 A 46 46 ILE N N 46 126.797 128.881 -2.084 1
1 518 . 7 1 1 A 47 47 ALA H H 47 9.173 8.798 0.375 1
1 519 . 7 1 1 A 47 47 ALA HA H 47 4.790 5.216 -0.426 1
1 523 . 7 1 1 A 47 47 ALA C C 47 175.394 176.665 -1.271 1
1 524 . 7 1 1 A 47 47 ALA CA C 47 51.500 51.637 -0.137 1
1 525 . 7 1 1 A 47 47 ALA CB C 47 19.020 20.625 -1.605 1
1 526 . 7 1 1 A 47 47 ALA N N 47 131.668 131.447 0.221 1
1 527 . 7 1 1 A 48 48 HIS H H 48 8.473 9.165 -0.692 1
1 528 . 7 1 1 A 48 48 HIS HA H 48 5.394 4.901 0.493 1
1 533 . 7 1 1 A 48 48 HIS C C 48 175.182 175.085 0.097 1
1 534 . 7 1 1 A 48 48 HIS CA C 48 54.520 55.444 -0.924 1
1 535 . 7 1 1 A 48 48 HIS CB C 48 33.190 32.334 0.856 1
1 538 . 7 1 1 A 48 48 HIS N N 48 126.144 122.665 3.479 1
1 539 . 7 1 1 A 49 49 GLY H H 49 8.847 8.998 -0.151 1
1 540 . 7 1 1 A 49 49 GLY HA2 H 49 3.795 3.697 0.098 1
1 541 . 7 1 1 A 49 49 GLY HA3 H 49 3.549 3.700 -0.151 1
1 542 . 7 1 1 A 49 49 GLY CA C 49 46.950 46.248 0.702 1
1 543 . 7 1 1 A 49 49 GLY N N 49 117.318 116.198 1.120 1
1 544 . 7 1 1 A 50 50 ASP HA H 50 4.639 4.916 -0.277 1
1 547 . 7 1 1 A 50 50 ASP C C 50 175.825 175.362 0.463 1
1 548 . 7 1 1 A 50 50 ASP CA C 50 55.070 54.317 0.753 1
1 549 . 7 1 1 A 50 50 ASP CB C 50 31.070 44.042 -12.972 1
1 550 . 7 1 1 A 51 51 ASP H H 51 8.166 7.364 0.802 1
1 551 . 7 1 1 A 51 51 ASP HA H 51 4.810 4.691 0.119 1
1 554 . 7 1 1 A 51 51 ASP C C 51 176.635 175.164 1.471 1
1 555 . 7 1 1 A 51 51 ASP CA C 51 53.950 53.829 0.121 1
1 556 . 7 1 1 A 51 51 ASP CB C 51 43.250 42.256 0.994 1
1 557 . 7 1 1 A 51 51 ASP N N 51 120.310 120.321 -0.011 1
1 558 . 7 1 1 A 52 52 ARG H H 52 8.784 8.409 0.375 1
1 559 . 7 1 1 A 52 52 ARG HA H 52 4.970 5.134 -0.164 1
1 566 . 7 1 1 A 52 52 ARG C C 52 174.757 174.772 -0.015 1
1 567 . 7 1 1 A 52 52 ARG CA C 52 54.250 54.791 -0.541 1
1 568 . 7 1 1 A 52 52 ARG CB C 52 31.440 32.085 -0.645 1
1 571 . 7 1 1 A 52 52 ARG N N 52 123.348 123.151 0.197 1
1 572 . 7 1 1 A 53 53 TYR H H 53 8.850 9.452 -0.602 1
1 573 . 7 1 1 A 53 53 TYR HA H 53 4.806 5.181 -0.375 1
1 580 . 7 1 1 A 53 53 TYR C C 53 174.989 175.479 -0.490 1
1 581 . 7 1 1 A 53 53 TYR CA C 53 56.850 57.099 -0.249 1
1 582 . 7 1 1 A 53 53 TYR CB C 53 41.480 41.344 0.136 1
1 585 . 7 1 1 A 53 53 TYR N N 53 122.391 122.986 -0.595 1
1 586 . 7 1 1 A 54 54 ARG H H 54 9.387 9.081 0.306 1
1 587 . 7 1 1 A 54 54 ARG HA H 54 4.936 5.322 -0.386 1
1 594 . 7 1 1 A 54 54 ARG C C 54 174.076 174.531 -0.455 1
1 595 . 7 1 1 A 54 54 ARG CA C 54 55.100 54.840 0.260 1
1 596 . 7 1 1 A 54 54 ARG CB C 54 31.750 32.242 -0.492 1
1 599 . 7 1 1 A 54 54 ARG N N 54 120.797 121.285 -0.488 1
1 600 . 7 1 1 A 55 55 LEU H H 55 9.271 9.188 0.083 1
1 601 . 7 1 1 A 55 55 LEU HA H 55 5.237 5.118 0.119 1
1 611 . 7 1 1 A 55 55 LEU C C 55 174.841 175.656 -0.815 1
1 612 . 7 1 1 A 55 55 LEU CA C 55 53.590 54.380 -0.790 1
1 613 . 7 1 1 A 55 55 LEU CB C 55 43.470 43.578 -0.108 1
1 617 . 7 1 1 A 55 55 LEU N N 55 128.735 127.729 1.006 1
1 618 . 7 1 1 A 56 56 ARG H H 56 9.000 9.204 -0.204 1
1 619 . 7 1 1 A 56 56 ARG HA H 56 5.110 5.164 -0.054 1
1 626 . 7 1 1 A 56 56 ARG C C 56 173.413 173.522 -0.109 1
1 627 . 7 1 1 A 56 56 ARG CA C 56 54.440 54.396 0.044 1
1 628 . 7 1 1 A 56 56 ARG CB C 56 34.540 33.814 0.726 1
1 631 . 7 1 1 A 56 56 ARG N N 56 125.280 128.461 -3.181 1
1 632 . 7 1 1 A 57 57 LEU H H 57 7.631 8.769 -1.138 1
1 633 . 7 1 1 A 57 57 LEU HA H 57 4.667 4.869 -0.202 1
1 643 . 7 1 1 A 57 57 LEU C C 57 177.709 176.723 0.986 1
1 644 . 7 1 1 A 57 57 LEU CA C 57 52.710 53.101 -0.391 1
1 645 . 7 1 1 A 57 57 LEU CB C 57 42.480 44.120 -1.640 1
1 649 . 7 1 1 A 57 57 LEU N N 57 122.967 127.717 -4.750 1
1 650 . 7 1 1 A 58 58 THR H H 58 9.001 9.057 -0.056 1
1 651 . 7 1 1 A 58 58 THR HA H 58 4.508 4.582 -0.074 1
1 656 . 7 1 1 A 58 58 THR CA C 58 60.440 60.849 -0.409 1
1 657 . 7 1 1 A 58 58 THR CB C 58 71.960 71.368 0.592 1
1 659 . 7 1 1 A 58 58 THR N N 58 116.533 116.095 0.438 1
1 660 . 7 1 1 A 60 60 GLN HA H 60 4.433 3.823 0.610 1
1 665 . 7 1 1 A 60 60 GLN C C 60 174.738 175.948 -1.210 1
1 666 . 7 1 1 A 60 60 GLN CA C 60 55.280 57.654 -2.374 1
1 667 . 7 1 1 A 60 60 GLN CB C 60 28.190 26.468 1.722 1
1 669 . 7 1 1 A 61 61 ASN H H 61 8.333 8.239 0.094 1
1 670 . 7 1 1 A 61 61 ASN HA H 61 4.262 4.463 -0.201 1
1 675 . 7 1 1 A 61 61 ASN C C 61 174.725 174.986 -0.261 1
1 676 . 7 1 1 A 61 61 ASN CA C 61 54.130 55.971 -1.841 1
1 677 . 7 1 1 A 61 61 ASN CB C 61 37.560 39.351 -1.791 1
1 678 . 7 1 1 A 61 61 ASN N N 61 116.480 117.799 -1.319 1
1 680 . 7 1 1 A 62 62 LYS H H 62 7.111 7.962 -0.851 1
1 681 . 7 1 1 A 62 62 LYS HA H 62 4.520 4.567 -0.047 1
1 690 . 7 1 1 A 62 62 LYS C C 62 174.057 173.960 0.097 1
1 691 . 7 1 1 A 62 62 LYS CA C 62 53.930 54.995 -1.065 1
1 692 . 7 1 1 A 62 62 LYS CB C 62 34.060 33.672 0.388 1
1 696 . 7 1 1 A 62 62 LYS N N 62 116.535 113.413 3.122 1
1 697 . 7 1 1 A 63 63 LEU H H 63 6.706 8.505 -1.799 1
1 698 . 7 1 1 A 63 63 LEU HA H 63 5.093 5.296 -0.203 1
1 708 . 7 1 1 A 63 63 LEU C C 63 175.503 175.173 0.330 1
1 709 . 7 1 1 A 63 63 LEU CA C 63 53.330 52.719 0.611 1
1 710 . 7 1 1 A 63 63 LEU CB C 63 43.280 46.380 -3.100 1
1 714 . 7 1 1 A 63 63 LEU N N 63 119.236 114.040 5.196 1
1 715 . 7 1 1 A 64 64 ILE H H 64 8.471 8.871 -0.400 1
1 716 . 7 1 1 A 64 64 ILE HA H 64 4.429 5.055 -0.626 1
1 726 . 7 1 1 A 64 64 ILE C C 64 172.642 173.612 -0.970 1
1 727 . 7 1 1 A 64 64 ILE CA C 64 59.520 58.834 0.686 1
1 728 . 7 1 1 A 64 64 ILE CB C 64 42.740 42.432 0.308 1
1 732 . 7 1 1 A 64 64 ILE N N 64 116.258 113.904 2.354 1
1 733 . 7 1 1 A 65 65 LEU H H 65 8.429 8.869 -0.440 1
1 734 . 7 1 1 A 65 65 LEU HA H 65 5.543 5.391 0.152 1
1 744 . 7 1 1 A 65 65 LEU C C 65 176.050 174.836 1.214 1
1 745 . 7 1 1 A 65 65 LEU CA C 65 53.230 53.592 -0.362 1
1 746 . 7 1 1 A 65 65 LEU CB C 65 46.610 44.595 2.015 1
1 750 . 7 1 1 A 65 65 LEU N N 65 125.259 124.306 0.953 1
1 751 . 7 1 1 A 66 66 THR H H 66 9.302 8.993 0.309 1
1 752 . 7 1 1 A 66 66 THR HA H 66 4.905 4.919 -0.014 1
1 757 . 7 1 1 A 66 66 THR C C 66 172.436 172.345 0.091 1
1 758 . 7 1 1 A 66 66 THR CA C 66 59.850 60.103 -0.253 1
1 759 . 7 1 1 A 66 66 THR CB C 66 71.650 70.431 1.219 1
1 761 . 7 1 1 A 66 66 THR N N 66 121.417 119.244 2.173 1
1 7 . 8 1 1 A 2 2 MET H H 2 8.334 9.038 -0.704 1
1 8 . 8 1 1 A 2 2 MET HA H 2 4.432 4.439 -0.007 1
1 16 . 8 1 1 A 2 2 MET C C 2 176.391 176.529 -0.138 1
1 17 . 8 1 1 A 2 2 MET CA C 2 55.880 57.157 -1.277 1
1 18 . 8 1 1 A 2 2 MET CB C 2 32.400 33.358 -0.958 1
1 21 . 8 1 1 A 2 2 MET N N 2 121.118 125.332 -4.214 1
1 22 . 8 1 1 A 3 3 THR H H 3 8.177 7.848 0.329 1
1 23 . 8 1 1 A 3 3 THR HA H 3 4.338 4.494 -0.156 1
1 28 . 8 1 1 A 3 3 THR C C 3 174.455 174.419 0.036 1
1 29 . 8 1 1 A 3 3 THR CA C 3 61.410 60.679 0.731 1
1 30 . 8 1 1 A 3 3 THR CB C 3 69.710 69.120 0.590 1
1 32 . 8 1 1 A 3 3 THR N N 3 115.029 109.285 5.744 1
1 33 . 8 1 1 A 4 4 ALA H H 4 8.429 8.374 0.055 1
1 34 . 8 1 1 A 4 4 ALA HA H 4 4.303 4.293 0.010 1
1 38 . 8 1 1 A 4 4 ALA C C 4 178.127 177.602 0.525 1
1 39 . 8 1 1 A 4 4 ALA CA C 4 52.580 52.020 0.560 1
1 40 . 8 1 1 A 4 4 ALA CB C 4 19.370 19.877 -0.507 1
1 41 . 8 1 1 A 4 4 ALA N N 4 126.222 128.010 -1.788 1
1 42 . 8 1 1 A 5 5 SER H H 5 8.257 7.676 0.581 1
1 43 . 8 1 1 A 5 5 SER HA H 5 4.352 4.331 0.021 1
1 46 . 8 1 1 A 5 5 SER C C 5 174.687 175.005 -0.318 1
1 47 . 8 1 1 A 5 5 SER CA C 5 58.790 60.483 -1.693 1
1 48 . 8 1 1 A 5 5 SER CB C 5 63.720 62.882 0.838 1
1 49 . 8 1 1 A 5 5 SER N N 5 114.762 114.351 0.411 1
1 50 . 8 1 1 A 6 6 ASP H H 6 8.186 9.033 -0.847 1
1 51 . 8 1 1 A 6 6 ASP HA H 6 4.547 4.567 -0.020 1
1 54 . 8 1 1 A 6 6 ASP C C 6 176.423 176.571 -0.148 1
1 55 . 8 1 1 A 6 6 ASP CA C 6 54.760 55.714 -0.954 1
1 56 . 8 1 1 A 6 6 ASP CB C 6 41.110 40.616 0.494 1
1 57 . 8 1 1 A 6 6 ASP N N 6 122.104 125.260 -3.156 1
1 58 . 8 1 1 A 7 7 ARG H H 7 8.063 8.213 -0.150 1
1 59 . 8 1 1 A 7 7 ARG HA H 7 4.276 4.079 0.197 1
1 66 . 8 1 1 A 7 7 ARG C C 7 176.455 176.173 0.282 1
1 67 . 8 1 1 A 7 7 ARG CA C 7 56.310 59.248 -2.938 1
1 68 . 8 1 1 A 7 7 ARG CB C 7 30.470 30.188 0.282 1
1 71 . 8 1 1 A 7 7 ARG N N 7 120.343 118.699 1.644 1
1 72 . 8 1 1 A 8 8 LEU H H 8 8.157 7.950 0.207 1
1 73 . 8 1 1 A 8 8 LEU HA H 8 4.288 4.675 -0.387 1
1 83 . 8 1 1 A 8 8 LEU C C 8 177.940 177.042 0.898 1
1 84 . 8 1 1 A 8 8 LEU CA C 8 55.630 53.778 1.852 1
1 85 . 8 1 1 A 8 8 LEU CB C 8 42.540 41.310 1.230 1
1 89 . 8 1 1 A 8 8 LEU N N 8 122.546 119.084 3.462 1
1 90 . 8 1 1 A 9 9 GLY H H 9 8.290 8.546 -0.256 1
1 91 . 8 1 1 A 9 9 GLY HA2 H 9 3.896 4.023 -0.127 1
1 92 . 8 1 1 A 9 9 GLY HA3 H 9 3.896 4.024 -0.128 1
1 93 . 8 1 1 A 9 9 GLY C C 9 173.664 173.519 0.145 1
1 94 . 8 1 1 A 9 9 GLY CA C 9 45.320 45.581 -0.261 1
1 95 . 8 1 1 A 9 9 GLY N N 9 109.549 111.045 -1.496 1
1 96 . 8 1 1 A 10 10 ALA H H 10 7.980 7.704 0.276 1
1 97 . 8 1 1 A 10 10 ALA HA H 10 4.276 4.672 -0.396 1
1 101 . 8 1 1 A 10 10 ALA C C 10 177.182 175.618 1.564 1
1 102 . 8 1 1 A 10 10 ALA CA C 10 52.130 51.736 0.394 1
1 103 . 8 1 1 A 10 10 ALA CB C 10 19.460 20.471 -1.011 1
1 104 . 8 1 1 A 10 10 ALA N N 10 123.266 121.393 1.873 1
1 105 . 8 1 1 A 11 11 ASP H H 11 8.292 8.913 -0.621 1
1 106 . 8 1 1 A 11 11 ASP HA H 11 4.840 5.164 -0.324 1
1 109 . 8 1 1 A 11 11 ASP CA C 11 51.950 50.389 1.561 1
1 110 . 8 1 1 A 11 11 ASP CB C 11 41.320 42.857 -1.537 1
1 111 . 8 1 1 A 11 11 ASP N N 11 120.930 124.117 -3.187 1
1 112 . 8 1 1 A 12 12 PRO HA H 12 4.450 4.495 -0.045 1
1 119 . 8 1 1 A 12 12 PRO C C 12 177.670 176.967 0.703 1
1 120 . 8 1 1 A 12 12 PRO CA C 12 63.940 63.821 0.119 1
1 121 . 8 1 1 A 12 12 PRO CB C 12 32.180 32.327 -0.147 1
1 124 . 8 1 1 A 13 13 THR H H 13 8.304 7.917 0.387 1
1 125 . 8 1 1 A 13 13 THR HA H 13 4.234 4.376 -0.142 1
1 130 . 8 1 1 A 13 13 THR C C 13 175.085 174.658 0.427 1
1 131 . 8 1 1 A 13 13 THR CA C 13 62.770 61.878 0.892 1
1 132 . 8 1 1 A 13 13 THR CB C 13 69.509 69.205 0.304 1
1 134 . 8 1 1 A 13 13 THR N N 13 112.749 111.722 1.027 1
1 135 . 8 1 1 A 14 14 GLN H H 14 7.963 7.746 0.217 1
1 136 . 8 1 1 A 14 14 GLN HA H 14 4.282 4.319 -0.037 1
1 141 . 8 1 1 A 14 14 GLN C C 14 175.773 175.739 0.034 1
1 142 . 8 1 1 A 14 14 GLN CA C 14 55.770 55.299 0.471 1
1 143 . 8 1 1 A 14 14 GLN CB C 14 29.440 28.037 1.403 1
1 145 . 8 1 1 A 14 14 GLN N N 14 121.849 122.687 -0.838 1
1 146 . 8 1 1 A 15 15 ALA H H 15 8.150 8.125 0.025 1
1 147 . 8 1 1 A 15 15 ALA HA H 15 4.237 4.579 -0.342 1
1 151 . 8 1 1 A 15 15 ALA C C 15 177.587 178.004 -0.417 1
1 152 . 8 1 1 A 15 15 ALA CA C 15 52.750 53.092 -0.342 1
1 153 . 8 1 1 A 15 15 ALA CB C 15 19.180 21.360 -2.180 1
1 154 . 8 1 1 A 15 15 ALA N N 15 125.125 128.565 -3.440 1
1 155 . 8 1 1 A 16 16 ALA H H 16 8.234 7.513 0.721 1
1 156 . 8 1 1 A 16 16 ALA HA H 16 4.291 4.432 -0.141 1
1 160 . 8 1 1 A 16 16 ALA C C 16 177.741 177.227 0.514 1
1 161 . 8 1 1 A 16 16 ALA CA C 16 52.410 52.172 0.238 1
1 162 . 8 1 1 A 16 16 ALA CB C 16 19.130 18.738 0.392 1
1 163 . 8 1 1 A 16 16 ALA N N 16 123.189 119.583 3.606 1
1 164 . 8 1 1 A 17 17 SER H H 17 8.162 7.625 0.537 1
1 165 . 8 1 1 A 17 17 SER HA H 17 4.431 4.270 0.161 1
1 168 . 8 1 1 A 17 17 SER CA C 17 58.160 60.154 -1.994 1
1 169 . 8 1 1 A 17 17 SER CB C 17 64.030 63.522 0.508 1
1 170 . 8 1 1 A 17 17 SER N N 17 114.762 115.632 -0.870 1
1 171 . 8 1 1 A 18 18 SER H H 18 8.246 8.455 -0.209 1
1 172 . 8 1 1 A 18 18 SER HA H 18 4.747 5.240 -0.493 1
1 173 . 8 1 1 A 18 18 SER CA C 18 58.640 55.325 3.315 1
1 174 . 8 1 1 A 18 18 SER N N 18 118.482 119.197 -0.715 1
1 175 . 8 1 1 A 19 19 PRO HA H 19 4.426 4.442 -0.016 1
1 182 . 8 1 1 A 19 19 PRO CA C 19 63.790 64.362 -0.572 1
1 183 . 8 1 1 A 19 19 PRO CB C 19 32.220 32.117 0.103 1
1 186 . 8 1 1 A 20 20 GLY H H 20 8.452 7.969 0.483 1
1 187 . 8 1 1 A 20 20 GLY HA2 H 20 3.938 4.044 -0.106 1
1 188 . 8 1 1 A 20 20 GLY HA3 H 20 3.938 4.046 -0.108 1
1 189 . 8 1 1 A 20 20 GLY C C 20 174.674 173.205 1.469 1
1 190 . 8 1 1 A 20 20 GLY CA C 20 45.330 44.602 0.728 1
1 191 . 8 1 1 A 20 20 GLY N N 20 109.329 108.219 1.110 1
1 192 . 8 1 1 A 21 21 GLY H H 21 8.217 8.479 -0.262 1
1 193 . 8 1 1 A 21 21 GLY HA2 H 21 3.946 4.305 -0.359 1
1 194 . 8 1 1 A 21 21 GLY HA3 H 21 3.946 4.306 -0.360 1
1 195 . 8 1 1 A 21 21 GLY C C 21 173.555 171.803 1.752 1
1 196 . 8 1 1 A 21 21 GLY CA C 21 45.390 45.462 -0.072 1
1 197 . 8 1 1 A 21 21 GLY N N 21 108.749 109.407 -0.658 1
1 198 . 8 1 1 A 22 22 ALA H H 22 8.147 8.338 -0.191 1
1 199 . 8 1 1 A 22 22 ALA HA H 22 4.866 5.405 -0.539 1
1 203 . 8 1 1 A 22 22 ALA C C 22 176.931 176.324 0.607 1
1 204 . 8 1 1 A 22 22 ALA CA C 22 51.910 50.423 1.487 1
1 205 . 8 1 1 A 22 22 ALA CB C 22 20.490 21.327 -0.837 1
1 206 . 8 1 1 A 22 22 ALA N N 22 124.041 123.050 0.991 1
1 207 . 8 1 1 A 23 23 ARG H H 23 8.699 8.949 -0.250 1
1 208 . 8 1 1 A 23 23 ARG HA H 23 4.641 5.029 -0.388 1
1 215 . 8 1 1 A 23 23 ARG C C 23 173.587 174.109 -0.522 1
1 216 . 8 1 1 A 23 23 ARG CA C 23 55.000 54.170 0.830 1
1 217 . 8 1 1 A 23 23 ARG CB C 23 32.420 33.812 -1.392 1
1 220 . 8 1 1 A 23 23 ARG N N 23 120.753 120.894 -0.141 1
1 221 . 8 1 1 A 24 24 ALA H H 24 8.408 8.677 -0.269 1
1 222 . 8 1 1 A 24 24 ALA HA H 24 5.145 5.068 0.077 1
1 226 . 8 1 1 A 24 24 ALA C C 24 177.092 176.567 0.525 1
1 227 . 8 1 1 A 24 24 ALA CA C 24 51.160 50.369 0.791 1
1 228 . 8 1 1 A 24 24 ALA CB C 24 21.490 20.570 0.920 1
1 229 . 8 1 1 A 24 24 ALA N N 24 124.606 123.096 1.510 1
1 230 . 8 1 1 A 25 25 VAL H H 25 8.842 8.832 0.010 1
1 231 . 8 1 1 A 25 25 VAL HA H 25 4.411 4.862 -0.451 1
1 239 . 8 1 1 A 25 25 VAL C C 25 174.558 175.357 -0.799 1
1 240 . 8 1 1 A 25 25 VAL CA C 25 60.160 60.265 -0.105 1
1 241 . 8 1 1 A 25 25 VAL CB C 25 34.450 33.670 0.780 1
1 244 . 8 1 1 A 25 25 VAL N N 25 120.299 120.022 0.277 1
1 245 . 8 1 1 A 26 26 SER H H 26 8.744 9.049 -0.305 1
1 246 . 8 1 1 A 26 26 SER HA H 26 4.747 5.207 -0.460 1
1 249 . 8 1 1 A 26 26 SER C C 26 173.304 173.988 -0.684 1
1 250 . 8 1 1 A 26 26 SER CA C 26 58.720 56.284 2.436 1
1 251 . 8 1 1 A 26 26 SER CB C 26 63.910 65.022 -1.112 1
1 252 . 8 1 1 A 26 26 SER N N 26 121.229 119.657 1.572 1
1 253 . 8 1 1 A 27 27 ILE H H 27 8.716 9.219 -0.503 1
1 254 . 8 1 1 A 27 27 ILE HA H 27 4.360 5.024 -0.664 1
1 264 . 8 1 1 A 27 27 ILE C C 27 175.478 174.456 1.022 1
1 265 . 8 1 1 A 27 27 ILE CA C 27 60.670 60.284 0.386 1
1 266 . 8 1 1 A 27 27 ILE CB C 27 39.210 39.875 -0.665 1
1 270 . 8 1 1 A 27 27 ILE N N 27 124.450 123.650 0.800 1
1 271 . 8 1 1 A 28 28 VAL H H 28 8.426 8.944 -0.518 1
1 272 . 8 1 1 A 28 28 VAL HA H 28 4.298 4.746 -0.448 1
1 280 . 8 1 1 A 28 28 VAL CA C 28 61.850 60.850 1.000 1
1 281 . 8 1 1 A 28 28 VAL CB C 28 32.790 32.553 0.237 1
1 284 . 8 1 1 A 28 28 VAL N N 28 128.723 123.974 4.749 1
1 285 . 8 1 1 A 29 29 GLY H H 29 8.953 8.880 0.073 1
1 286 . 8 1 1 A 29 29 GLY HA2 H 29 3.988 3.916 0.072 1
1 287 . 8 1 1 A 29 29 GLY HA3 H 29 3.725 3.916 -0.191 1
1 288 . 8 1 1 A 29 29 GLY C C 29 176.487 174.328 2.159 1
1 289 . 8 1 1 A 29 29 GLY CA C 29 47.610 46.643 0.967 1
1 290 . 8 1 1 A 29 29 GLY N N 29 120.095 115.388 4.707 1
1 291 . 8 1 1 A 30 30 ASN H H 30 8.566 7.941 0.625 1
1 292 . 8 1 1 A 30 30 ASN HA H 30 4.422 4.955 -0.533 1
1 297 . 8 1 1 A 30 30 ASN C C 30 172.841 174.389 -1.548 1
1 298 . 8 1 1 A 30 30 ASN CA C 30 53.100 52.354 0.746 1
1 299 . 8 1 1 A 30 30 ASN CB C 30 38.630 39.552 -0.922 1
1 300 . 8 1 1 A 30 30 ASN N N 30 120.808 118.303 2.505 1
1 302 . 8 1 1 A 31 31 GLN H H 31 7.713 7.269 0.444 1
1 303 . 8 1 1 A 31 31 GLN HA H 31 5.672 5.055 0.617 1
1 310 . 8 1 1 A 31 31 GLN C C 31 174.828 173.937 0.891 1
1 311 . 8 1 1 A 31 31 GLN CA C 31 54.730 54.441 0.289 1
1 312 . 8 1 1 A 31 31 GLN CB C 31 32.800 32.168 0.632 1
1 314 . 8 1 1 A 31 31 GLN N N 31 118.262 120.269 -2.007 1
1 316 . 8 1 1 A 32 32 ILE H H 32 9.113 8.919 0.194 1
1 317 . 8 1 1 A 32 32 ILE HA H 32 4.454 4.988 -0.534 1
1 327 . 8 1 1 A 32 32 ILE C C 32 173.439 172.598 0.841 1
1 328 . 8 1 1 A 32 32 ILE CA C 32 59.610 59.108 0.502 1
1 329 . 8 1 1 A 32 32 ILE CB C 32 42.350 42.359 -0.009 1
1 333 . 8 1 1 A 32 32 ILE N N 32 124.849 123.924 0.925 1
1 334 . 8 1 1 A 33 33 ASP H H 33 9.066 8.750 0.316 1
1 335 . 8 1 1 A 33 33 ASP HA H 33 5.077 5.017 0.060 1
1 338 . 8 1 1 A 33 33 ASP C C 33 178.378 176.616 1.762 1
1 339 . 8 1 1 A 33 33 ASP CA C 33 53.460 53.000 0.460 1
1 340 . 8 1 1 A 33 33 ASP CB C 33 43.180 42.886 0.294 1
1 341 . 8 1 1 A 33 33 ASP N N 33 127.594 128.835 -1.241 1
1 342 . 8 1 1 A 34 34 SER H H 34 9.524 9.223 0.301 1
1 343 . 8 1 1 A 34 34 SER HA H 34 3.902 4.232 -0.330 1
1 346 . 8 1 1 A 34 34 SER C C 34 175.876 176.740 -0.864 1
1 347 . 8 1 1 A 34 34 SER CA C 34 61.980 61.167 0.813 1
1 348 . 8 1 1 A 34 34 SER CB C 34 61.510 62.780 -1.270 1
1 349 . 8 1 1 A 34 34 SER N N 34 125.026 120.506 4.520 1
1 350 . 8 1 1 A 35 35 ARG H H 35 9.022 7.681 1.341 1
1 351 . 8 1 1 A 35 35 ARG HA H 35 4.235 4.245 -0.010 1
1 358 . 8 1 1 A 35 35 ARG C C 35 178.661 179.276 -0.615 1
1 359 . 8 1 1 A 35 35 ARG CA C 35 58.840 59.229 -0.389 1
1 360 . 8 1 1 A 35 35 ARG CB C 35 29.970 29.745 0.225 1
1 363 . 8 1 1 A 35 35 ARG N N 35 122.601 121.507 1.094 1
1 364 . 8 1 1 A 36 36 GLU H H 36 7.689 8.112 -0.423 1
1 365 . 8 1 1 A 36 36 GLU HA H 36 4.202 4.040 0.162 1
1 370 . 8 1 1 A 36 36 GLU C C 36 177.285 179.120 -1.835 1
1 371 . 8 1 1 A 36 36 GLU CA C 36 57.340 59.073 -1.733 1
1 372 . 8 1 1 A 36 36 GLU CB C 36 30.910 29.271 1.639 1
1 374 . 8 1 1 A 36 36 GLU N N 36 115.420 119.967 -4.547 1
1 375 . 8 1 1 A 37 37 LEU H H 37 7.280 8.064 -0.784 1
1 376 . 8 1 1 A 37 37 LEU HA H 37 3.805 3.956 -0.151 1
1 386 . 8 1 1 A 37 37 LEU C C 37 176.410 177.868 -1.458 1
1 387 . 8 1 1 A 37 37 LEU CA C 37 56.790 57.397 -0.607 1
1 388 . 8 1 1 A 37 37 LEU CB C 37 42.510 42.249 0.261 1
1 392 . 8 1 1 A 37 37 LEU N N 37 117.043 119.622 -2.579 1
1 393 . 8 1 1 A 38 38 PHE H H 38 7.431 8.048 -0.617 1
1 394 . 8 1 1 A 38 38 PHE HA H 38 4.884 4.745 0.139 1
1 402 . 8 1 1 A 38 38 PHE C C 38 176.018 176.174 -0.156 1
1 403 . 8 1 1 A 38 38 PHE CA C 38 57.320 57.420 -0.100 1
1 404 . 8 1 1 A 38 38 PHE CB C 38 38.500 38.564 -0.064 1
1 408 . 8 1 1 A 38 38 PHE N N 38 115.439 115.174 0.265 1
1 409 . 8 1 1 A 39 39 THR H H 39 7.632 7.693 -0.061 1
1 410 . 8 1 1 A 39 39 THR HA H 39 4.256 3.985 0.271 1
1 415 . 8 1 1 A 39 39 THR C C 39 175.986 174.766 1.220 1
1 416 . 8 1 1 A 39 39 THR CA C 39 62.630 65.386 -2.756 1
1 417 . 8 1 1 A 39 39 THR CB C 39 69.240 69.171 0.069 1
1 419 . 8 1 1 A 39 39 THR N N 39 112.395 115.032 -2.637 1
1 420 . 8 1 1 A 40 40 VAL H H 40 8.246 7.837 0.409 1
1 421 . 8 1 1 A 40 40 VAL HA H 40 4.121 4.469 -0.348 1
1 429 . 8 1 1 A 40 40 VAL C C 40 175.233 173.377 1.856 1
1 430 . 8 1 1 A 40 40 VAL CA C 40 63.340 61.375 1.965 1
1 431 . 8 1 1 A 40 40 VAL CB C 40 32.870 32.095 0.775 1
1 434 . 8 1 1 A 40 40 VAL N N 40 118.329 119.365 -1.036 1
1 435 . 8 1 1 A 41 41 ASP H H 41 8.048 8.403 -0.355 1
1 436 . 8 1 1 A 41 41 ASP HA H 41 4.792 5.029 -0.237 1
1 439 . 8 1 1 A 41 41 ASP CA C 41 53.950 53.489 0.461 1
1 440 . 8 1 1 A 41 41 ASP CB C 41 43.630 44.630 -1.000 1
1 441 . 8 1 1 A 41 41 ASP N N 41 120.465 125.746 -5.281 1
1 442 . 8 1 1 A 42 42 ARG H H 42 8.639 8.854 -0.215 1
1 443 . 8 1 1 A 42 42 ARG HA H 42 4.157 4.611 -0.454 1
1 450 . 8 1 1 A 42 42 ARG C C 42 173.606 175.546 -1.940 1
1 451 . 8 1 1 A 42 42 ARG CA C 42 56.340 56.718 -0.378 1
1 452 . 8 1 1 A 42 42 ARG CB C 42 29.930 32.538 -2.608 1
1 455 . 8 1 1 A 42 42 ARG N N 42 116.578 122.165 -5.587 1
1 456 . 8 1 1 A 43 43 GLU H H 43 7.452 8.141 -0.689 1
1 457 . 8 1 1 A 43 43 GLU HA H 43 5.413 5.291 0.122 1
1 462 . 8 1 1 A 43 43 GLU C C 43 174.192 174.261 -0.069 1
1 463 . 8 1 1 A 43 43 GLU CA C 43 55.100 55.956 -0.856 1
1 464 . 8 1 1 A 43 43 GLU CB C 43 34.110 33.285 0.825 1
1 466 . 8 1 1 A 43 43 GLU N N 43 116.369 117.995 -1.626 1
1 467 . 8 1 1 A 44 44 ILE H H 44 9.056 9.397 -0.341 1
1 468 . 8 1 1 A 44 44 ILE HA H 44 4.696 5.021 -0.325 1
1 478 . 8 1 1 A 44 44 ILE C C 44 173.831 174.468 -0.637 1
1 479 . 8 1 1 A 44 44 ILE CA C 44 58.070 59.714 -1.644 1
1 480 . 8 1 1 A 44 44 ILE CB C 44 41.140 41.187 -0.047 1
1 484 . 8 1 1 A 44 44 ILE N N 44 123.963 127.223 -3.260 1
1 485 . 8 1 1 A 45 45 VAL H H 45 8.740 9.103 -0.363 1
1 486 . 8 1 1 A 45 45 VAL HA H 45 4.850 4.926 -0.076 1
1 494 . 8 1 1 A 45 45 VAL C C 45 175.175 175.476 -0.301 1
1 495 . 8 1 1 A 45 45 VAL CA C 45 60.990 61.358 -0.368 1
1 496 . 8 1 1 A 45 45 VAL CB C 45 33.810 33.628 0.182 1
1 499 . 8 1 1 A 45 45 VAL N N 45 126.299 127.086 -0.787 1
1 500 . 8 1 1 A 46 46 ILE H H 46 9.367 9.336 0.031 1
1 501 . 8 1 1 A 46 46 ILE HA H 46 4.830 4.804 0.026 1
1 511 . 8 1 1 A 46 46 ILE C C 46 175.433 174.943 0.490 1
1 512 . 8 1 1 A 46 46 ILE CA C 46 59.350 60.579 -1.229 1
1 513 . 8 1 1 A 46 46 ILE CB C 46 39.410 40.387 -0.977 1
1 517 . 8 1 1 A 46 46 ILE N N 46 126.797 127.179 -0.382 1
1 518 . 8 1 1 A 47 47 ALA H H 47 9.173 8.953 0.220 1
1 519 . 8 1 1 A 47 47 ALA HA H 47 4.790 5.087 -0.297 1
1 523 . 8 1 1 A 47 47 ALA C C 47 175.394 176.745 -1.351 1
1 524 . 8 1 1 A 47 47 ALA CA C 47 51.500 51.404 0.096 1
1 525 . 8 1 1 A 47 47 ALA CB C 47 19.020 20.609 -1.589 1
1 526 . 8 1 1 A 47 47 ALA N N 47 131.668 131.334 0.334 1
1 527 . 8 1 1 A 48 48 HIS H H 48 8.473 9.012 -0.539 1
1 528 . 8 1 1 A 48 48 HIS HA H 48 5.394 4.891 0.503 1
1 533 . 8 1 1 A 48 48 HIS C C 48 175.182 175.111 0.071 1
1 534 . 8 1 1 A 48 48 HIS CA C 48 54.520 55.452 -0.932 1
1 535 . 8 1 1 A 48 48 HIS CB C 48 33.190 32.214 0.976 1
1 538 . 8 1 1 A 48 48 HIS N N 48 126.144 123.052 3.092 1
1 539 . 8 1 1 A 49 49 GLY H H 49 8.847 8.952 -0.105 1
1 540 . 8 1 1 A 49 49 GLY HA2 H 49 3.795 3.610 0.185 1
1 541 . 8 1 1 A 49 49 GLY HA3 H 49 3.549 3.620 -0.071 1
1 542 . 8 1 1 A 49 49 GLY CA C 49 46.950 47.129 -0.179 1
1 543 . 8 1 1 A 49 49 GLY N N 49 117.318 116.024 1.294 1
1 544 . 8 1 1 A 50 50 ASP HA H 50 4.639 4.722 -0.083 1
1 547 . 8 1 1 A 50 50 ASP C C 50 175.825 174.966 0.859 1
1 548 . 8 1 1 A 50 50 ASP CA C 50 55.070 54.275 0.795 1
1 549 . 8 1 1 A 50 50 ASP CB C 50 31.070 43.113 -12.043 1
1 550 . 8 1 1 A 51 51 ASP H H 51 8.166 7.293 0.873 1
1 551 . 8 1 1 A 51 51 ASP HA H 51 4.810 4.878 -0.068 1
1 554 . 8 1 1 A 51 51 ASP C C 51 176.635 174.970 1.665 1
1 555 . 8 1 1 A 51 51 ASP CA C 51 53.950 53.063 0.887 1
1 556 . 8 1 1 A 51 51 ASP CB C 51 43.250 43.169 0.081 1
1 557 . 8 1 1 A 51 51 ASP N N 51 120.310 121.181 -0.871 1
1 558 . 8 1 1 A 52 52 ARG H H 52 8.784 8.387 0.397 1
1 559 . 8 1 1 A 52 52 ARG HA H 52 4.970 5.308 -0.338 1
1 566 . 8 1 1 A 52 52 ARG C C 52 174.757 174.672 0.085 1
1 567 . 8 1 1 A 52 52 ARG CA C 52 54.250 54.746 -0.496 1
1 568 . 8 1 1 A 52 52 ARG CB C 52 31.440 33.614 -2.174 1
1 571 . 8 1 1 A 52 52 ARG N N 52 123.348 121.432 1.916 1
1 572 . 8 1 1 A 53 53 TYR H H 53 8.850 9.510 -0.660 1
1 573 . 8 1 1 A 53 53 TYR HA H 53 4.806 5.233 -0.427 1
1 580 . 8 1 1 A 53 53 TYR C C 53 174.989 175.483 -0.494 1
1 581 . 8 1 1 A 53 53 TYR CA C 53 56.850 57.050 -0.200 1
1 582 . 8 1 1 A 53 53 TYR CB C 53 41.480 41.587 -0.107 1
1 585 . 8 1 1 A 53 53 TYR N N 53 122.391 122.953 -0.562 1
1 586 . 8 1 1 A 54 54 ARG H H 54 9.387 9.106 0.281 1
1 587 . 8 1 1 A 54 54 ARG HA H 54 4.936 5.298 -0.362 1
1 594 . 8 1 1 A 54 54 ARG C C 54 174.076 174.557 -0.481 1
1 595 . 8 1 1 A 54 54 ARG CA C 54 55.100 54.778 0.322 1
1 596 . 8 1 1 A 54 54 ARG CB C 54 31.750 32.489 -0.739 1
1 599 . 8 1 1 A 54 54 ARG N N 54 120.797 120.952 -0.155 1
1 600 . 8 1 1 A 55 55 LEU H H 55 9.271 9.054 0.217 1
1 601 . 8 1 1 A 55 55 LEU HA H 55 5.237 5.112 0.125 1
1 611 . 8 1 1 A 55 55 LEU C C 55 174.841 175.495 -0.654 1
1 612 . 8 1 1 A 55 55 LEU CA C 55 53.590 54.494 -0.904 1
1 613 . 8 1 1 A 55 55 LEU CB C 55 43.470 43.479 -0.009 1
1 617 . 8 1 1 A 55 55 LEU N N 55 128.735 127.921 0.814 1
1 618 . 8 1 1 A 56 56 ARG H H 56 9.000 9.095 -0.095 1
1 619 . 8 1 1 A 56 56 ARG HA H 56 5.110 5.185 -0.075 1
1 626 . 8 1 1 A 56 56 ARG C C 56 173.413 173.830 -0.417 1
1 627 . 8 1 1 A 56 56 ARG CA C 56 54.440 54.528 -0.088 1
1 628 . 8 1 1 A 56 56 ARG CB C 56 34.540 33.157 1.383 1
1 631 . 8 1 1 A 56 56 ARG N N 56 125.280 128.536 -3.256 1
1 632 . 8 1 1 A 57 57 LEU H H 57 7.631 8.856 -1.225 1
1 633 . 8 1 1 A 57 57 LEU HA H 57 4.667 4.744 -0.077 1
1 643 . 8 1 1 A 57 57 LEU C C 57 177.709 176.403 1.306 1
1 644 . 8 1 1 A 57 57 LEU CA C 57 52.710 53.066 -0.356 1
1 645 . 8 1 1 A 57 57 LEU CB C 57 42.480 44.079 -1.599 1
1 649 . 8 1 1 A 57 57 LEU N N 57 122.967 128.364 -5.397 1
1 650 . 8 1 1 A 58 58 THR H H 58 9.001 8.928 0.073 1
1 651 . 8 1 1 A 58 58 THR HA H 58 4.508 4.638 -0.130 1
1 656 . 8 1 1 A 58 58 THR CA C 58 60.440 60.194 0.246 1
1 657 . 8 1 1 A 58 58 THR CB C 58 71.960 70.690 1.270 1
1 659 . 8 1 1 A 58 58 THR N N 58 116.533 117.321 -0.788 1
1 660 . 8 1 1 A 60 60 GLN HA H 60 4.433 4.109 0.324 1
1 665 . 8 1 1 A 60 60 GLN C C 60 174.738 176.202 -1.464 1
1 666 . 8 1 1 A 60 60 GLN CA C 60 55.280 57.275 -1.995 1
1 667 . 8 1 1 A 60 60 GLN CB C 60 28.190 28.474 -0.284 1
1 669 . 8 1 1 A 61 61 ASN H H 61 8.333 8.007 0.326 1
1 670 . 8 1 1 A 61 61 ASN HA H 61 4.262 4.532 -0.270 1
1 675 . 8 1 1 A 61 61 ASN C C 61 174.725 174.974 -0.249 1
1 676 . 8 1 1 A 61 61 ASN CA C 61 54.130 55.534 -1.404 1
1 677 . 8 1 1 A 61 61 ASN CB C 61 37.560 38.785 -1.225 1
1 678 . 8 1 1 A 61 61 ASN N N 61 116.480 117.092 -0.612 1
1 680 . 8 1 1 A 62 62 LYS H H 62 7.111 7.898 -0.787 1
1 681 . 8 1 1 A 62 62 LYS HA H 62 4.520 4.600 -0.080 1
1 690 . 8 1 1 A 62 62 LYS C C 62 174.057 173.916 0.141 1
1 691 . 8 1 1 A 62 62 LYS CA C 62 53.930 54.893 -0.963 1
1 692 . 8 1 1 A 62 62 LYS CB C 62 34.060 34.605 -0.545 1
1 696 . 8 1 1 A 62 62 LYS N N 62 116.535 113.837 2.698 1
1 697 . 8 1 1 A 63 63 LEU H H 63 6.706 8.509 -1.803 1
1 698 . 8 1 1 A 63 63 LEU HA H 63 5.093 5.357 -0.264 1
1 708 . 8 1 1 A 63 63 LEU C C 63 175.503 174.889 0.614 1
1 709 . 8 1 1 A 63 63 LEU CA C 63 53.330 52.732 0.598 1
1 710 . 8 1 1 A 63 63 LEU CB C 63 43.280 46.355 -3.075 1
1 714 . 8 1 1 A 63 63 LEU N N 63 119.236 114.411 4.825 1
1 715 . 8 1 1 A 64 64 ILE H H 64 8.471 8.757 -0.286 1
1 716 . 8 1 1 A 64 64 ILE HA H 64 4.429 4.994 -0.565 1
1 726 . 8 1 1 A 64 64 ILE C C 64 172.642 173.547 -0.905 1
1 727 . 8 1 1 A 64 64 ILE CA C 64 59.520 58.906 0.614 1
1 728 . 8 1 1 A 64 64 ILE CB C 64 42.740 42.388 0.352 1
1 732 . 8 1 1 A 64 64 ILE N N 64 116.258 114.216 2.042 1
1 733 . 8 1 1 A 65 65 LEU H H 65 8.429 8.830 -0.401 1
1 734 . 8 1 1 A 65 65 LEU HA H 65 5.543 5.347 0.196 1
1 744 . 8 1 1 A 65 65 LEU C C 65 176.050 174.823 1.227 1
1 745 . 8 1 1 A 65 65 LEU CA C 65 53.230 53.596 -0.366 1
1 746 . 8 1 1 A 65 65 LEU CB C 65 46.610 44.643 1.967 1
1 750 . 8 1 1 A 65 65 LEU N N 65 125.259 124.071 1.188 1
1 751 . 8 1 1 A 66 66 THR H H 66 9.302 9.076 0.226 1
1 752 . 8 1 1 A 66 66 THR HA H 66 4.905 4.882 0.023 1
1 757 . 8 1 1 A 66 66 THR C C 66 172.436 172.491 -0.055 1
1 758 . 8 1 1 A 66 66 THR CA C 66 59.850 59.981 -0.131 1
1 759 . 8 1 1 A 66 66 THR CB C 66 71.650 70.408 1.242 1
1 761 . 8 1 1 A 66 66 THR N N 66 121.417 119.298 2.119 1
1 7 . 9 1 1 A 2 2 MET H H 2 8.334 8.638 -0.304 1
1 8 . 9 1 1 A 2 2 MET HA H 2 4.432 5.060 -0.628 1
1 16 . 9 1 1 A 2 2 MET C C 2 176.391 175.582 0.809 1
1 17 . 9 1 1 A 2 2 MET CA C 2 55.880 54.144 1.736 1
1 18 . 9 1 1 A 2 2 MET CB C 2 32.400 33.063 -0.663 1
1 21 . 9 1 1 A 2 2 MET N N 2 121.118 121.269 -0.151 1
1 22 . 9 1 1 A 3 3 THR H H 3 8.177 8.811 -0.634 1
1 23 . 9 1 1 A 3 3 THR HA H 3 4.338 4.905 -0.567 1
1 28 . 9 1 1 A 3 3 THR C C 3 174.455 172.420 2.035 1
1 29 . 9 1 1 A 3 3 THR CA C 3 61.410 60.554 0.856 1
1 30 . 9 1 1 A 3 3 THR CB C 3 69.710 72.051 -2.341 1
1 32 . 9 1 1 A 3 3 THR N N 3 115.029 116.786 -1.757 1
1 33 . 9 1 1 A 4 4 ALA H H 4 8.429 8.696 -0.267 1
1 34 . 9 1 1 A 4 4 ALA HA H 4 4.303 4.732 -0.429 1
1 38 . 9 1 1 A 4 4 ALA C C 4 178.127 177.490 0.637 1
1 39 . 9 1 1 A 4 4 ALA CA C 4 52.580 51.447 1.133 1
1 40 . 9 1 1 A 4 4 ALA CB C 4 19.370 19.877 -0.507 1
1 41 . 9 1 1 A 4 4 ALA N N 4 126.222 130.396 -4.174 1
1 42 . 9 1 1 A 5 5 SER H H 5 8.257 8.972 -0.715 1
1 43 . 9 1 1 A 5 5 SER HA H 5 4.352 4.894 -0.542 1
1 46 . 9 1 1 A 5 5 SER C C 5 174.687 172.993 1.694 1
1 47 . 9 1 1 A 5 5 SER CA C 5 58.790 57.689 1.101 1
1 48 . 9 1 1 A 5 5 SER CB C 5 63.720 67.204 -3.484 1
1 49 . 9 1 1 A 5 5 SER N N 5 114.762 118.953 -4.191 1
1 50 . 9 1 1 A 6 6 ASP H H 6 8.186 8.530 -0.344 1
1 51 . 9 1 1 A 6 6 ASP HA H 6 4.547 4.597 -0.050 1
1 54 . 9 1 1 A 6 6 ASP C C 6 176.423 175.392 1.031 1
1 55 . 9 1 1 A 6 6 ASP CA C 6 54.760 54.681 0.079 1
1 56 . 9 1 1 A 6 6 ASP CB C 6 41.110 40.634 0.476 1
1 57 . 9 1 1 A 6 6 ASP N N 6 122.104 123.944 -1.840 1
1 58 . 9 1 1 A 7 7 ARG H H 7 8.063 8.739 -0.676 1
1 59 . 9 1 1 A 7 7 ARG HA H 7 4.276 4.561 -0.285 1
1 66 . 9 1 1 A 7 7 ARG C C 7 176.455 175.666 0.789 1
1 67 . 9 1 1 A 7 7 ARG CA C 7 56.310 55.594 0.716 1
1 68 . 9 1 1 A 7 7 ARG CB C 7 30.470 31.550 -1.080 1
1 71 . 9 1 1 A 7 7 ARG N N 7 120.343 126.261 -5.918 1
1 72 . 9 1 1 A 8 8 LEU H H 8 8.157 8.521 -0.364 1
1 73 . 9 1 1 A 8 8 LEU HA H 8 4.288 4.026 0.262 1
1 83 . 9 1 1 A 8 8 LEU C C 8 177.940 175.899 2.041 1
1 84 . 9 1 1 A 8 8 LEU CA C 8 55.630 55.470 0.160 1
1 85 . 9 1 1 A 8 8 LEU CB C 8 42.540 40.610 1.930 1
1 89 . 9 1 1 A 8 8 LEU N N 8 122.546 124.745 -2.199 1
1 90 . 9 1 1 A 9 9 GLY H H 9 8.290 8.227 0.063 1
1 91 . 9 1 1 A 9 9 GLY HA2 H 9 3.896 4.263 -0.367 1
1 92 . 9 1 1 A 9 9 GLY HA3 H 9 3.896 4.263 -0.367 1
1 93 . 9 1 1 A 9 9 GLY C C 9 173.664 171.777 1.887 1
1 94 . 9 1 1 A 9 9 GLY CA C 9 45.320 44.777 0.543 1
1 95 . 9 1 1 A 9 9 GLY N N 9 109.549 109.962 -0.413 1
1 96 . 9 1 1 A 10 10 ALA H H 10 7.980 9.130 -1.150 1
1 97 . 9 1 1 A 10 10 ALA HA H 10 4.276 5.267 -0.991 1
1 101 . 9 1 1 A 10 10 ALA C C 10 177.182 175.444 1.738 1
1 102 . 9 1 1 A 10 10 ALA CA C 10 52.130 50.351 1.779 1
1 103 . 9 1 1 A 10 10 ALA CB C 10 19.460 23.436 -3.976 1
1 104 . 9 1 1 A 10 10 ALA N N 10 123.266 126.591 -3.325 1
1 105 . 9 1 1 A 11 11 ASP H H 11 8.292 8.638 -0.346 1
1 106 . 9 1 1 A 11 11 ASP HA H 11 4.840 5.197 -0.357 1
1 109 . 9 1 1 A 11 11 ASP CA C 11 51.950 50.626 1.324 1
1 110 . 9 1 1 A 11 11 ASP CB C 11 41.320 41.687 -0.367 1
1 111 . 9 1 1 A 11 11 ASP N N 11 120.930 119.386 1.544 1
1 112 . 9 1 1 A 12 12 PRO HA H 12 4.450 4.693 -0.243 1
1 119 . 9 1 1 A 12 12 PRO C C 12 177.670 175.560 2.110 1
1 120 . 9 1 1 A 12 12 PRO CA C 12 63.940 62.330 1.610 1
1 121 . 9 1 1 A 12 12 PRO CB C 12 32.180 33.248 -1.068 1
1 124 . 9 1 1 A 13 13 THR H H 13 8.304 8.599 -0.295 1
1 125 . 9 1 1 A 13 13 THR HA H 13 4.234 5.051 -0.817 1
1 130 . 9 1 1 A 13 13 THR C C 13 175.085 173.658 1.427 1
1 131 . 9 1 1 A 13 13 THR CA C 13 62.770 59.960 2.810 1
1 132 . 9 1 1 A 13 13 THR CB C 13 69.509 71.005 -1.496 1
1 134 . 9 1 1 A 13 13 THR N N 13 112.749 115.320 -2.571 1
1 135 . 9 1 1 A 14 14 GLN H H 14 7.963 8.768 -0.805 1
1 136 . 9 1 1 A 14 14 GLN HA H 14 4.282 4.310 -0.028 1
1 141 . 9 1 1 A 14 14 GLN C C 14 175.773 175.806 -0.033 1
1 142 . 9 1 1 A 14 14 GLN CA C 14 55.770 56.783 -1.013 1
1 143 . 9 1 1 A 14 14 GLN CB C 14 29.440 29.190 0.250 1
1 145 . 9 1 1 A 14 14 GLN N N 14 121.849 124.339 -2.490 1
1 146 . 9 1 1 A 15 15 ALA H H 15 8.150 7.152 0.998 1
1 147 . 9 1 1 A 15 15 ALA HA H 15 4.237 4.289 -0.052 1
1 151 . 9 1 1 A 15 15 ALA C C 15 177.587 177.507 0.080 1
1 152 . 9 1 1 A 15 15 ALA CA C 15 52.750 52.557 0.193 1
1 153 . 9 1 1 A 15 15 ALA CB C 15 19.180 19.066 0.114 1
1 154 . 9 1 1 A 15 15 ALA N N 15 125.125 123.842 1.283 1
1 155 . 9 1 1 A 16 16 ALA H H 16 8.234 8.408 -0.174 1
1 156 . 9 1 1 A 16 16 ALA HA H 16 4.291 4.339 -0.048 1
1 160 . 9 1 1 A 16 16 ALA C C 16 177.741 177.256 0.485 1
1 161 . 9 1 1 A 16 16 ALA CA C 16 52.410 52.865 -0.455 1
1 162 . 9 1 1 A 16 16 ALA CB C 16 19.130 19.213 -0.083 1
1 163 . 9 1 1 A 16 16 ALA N N 16 123.189 127.013 -3.824 1
1 164 . 9 1 1 A 17 17 SER H H 17 8.162 8.526 -0.364 1
1 165 . 9 1 1 A 17 17 SER HA H 17 4.431 4.492 -0.061 1
1 168 . 9 1 1 A 17 17 SER CA C 17 58.160 58.989 -0.829 1
1 169 . 9 1 1 A 17 17 SER CB C 17 64.030 61.563 2.467 1
1 170 . 9 1 1 A 17 17 SER N N 17 114.762 119.473 -4.711 1
1 171 . 9 1 1 A 18 18 SER H H 18 8.246 8.575 -0.329 1
1 172 . 9 1 1 A 18 18 SER HA H 18 4.747 5.044 -0.297 1
1 173 . 9 1 1 A 18 18 SER CA C 18 58.640 55.551 3.089 1
1 174 . 9 1 1 A 18 18 SER N N 18 118.482 124.464 -5.982 1
1 175 . 9 1 1 A 19 19 PRO HA H 19 4.426 4.573 -0.147 1
1 182 . 9 1 1 A 19 19 PRO CA C 19 63.790 63.522 0.268 1
1 183 . 9 1 1 A 19 19 PRO CB C 19 32.220 32.739 -0.519 1
1 186 . 9 1 1 A 20 20 GLY H H 20 8.452 8.086 0.366 1
1 187 . 9 1 1 A 20 20 GLY HA2 H 20 3.938 4.027 -0.089 1
1 188 . 9 1 1 A 20 20 GLY HA3 H 20 3.938 4.029 -0.091 1
1 189 . 9 1 1 A 20 20 GLY C C 20 174.674 173.066 1.608 1
1 190 . 9 1 1 A 20 20 GLY CA C 20 45.330 44.819 0.511 1
1 191 . 9 1 1 A 20 20 GLY N N 20 109.329 110.549 -1.220 1
1 192 . 9 1 1 A 21 21 GLY H H 21 8.217 8.185 0.032 1
1 193 . 9 1 1 A 21 21 GLY HA2 H 21 3.946 4.402 -0.456 1
1 194 . 9 1 1 A 21 21 GLY HA3 H 21 3.946 4.402 -0.456 1
1 195 . 9 1 1 A 21 21 GLY C C 21 173.555 171.314 2.241 1
1 196 . 9 1 1 A 21 21 GLY CA C 21 45.390 45.582 -0.192 1
1 197 . 9 1 1 A 21 21 GLY N N 21 108.749 107.938 0.811 1
1 198 . 9 1 1 A 22 22 ALA H H 22 8.147 8.244 -0.097 1
1 199 . 9 1 1 A 22 22 ALA HA H 22 4.866 5.225 -0.359 1
1 203 . 9 1 1 A 22 22 ALA C C 22 176.931 176.956 -0.025 1
1 204 . 9 1 1 A 22 22 ALA CA C 22 51.910 50.709 1.201 1
1 205 . 9 1 1 A 22 22 ALA CB C 22 20.490 20.771 -0.281 1
1 206 . 9 1 1 A 22 22 ALA N N 22 124.041 123.506 0.535 1
1 207 . 9 1 1 A 23 23 ARG H H 23 8.699 9.121 -0.422 1
1 208 . 9 1 1 A 23 23 ARG HA H 23 4.641 4.963 -0.322 1
1 215 . 9 1 1 A 23 23 ARG C C 23 173.587 174.379 -0.792 1
1 216 . 9 1 1 A 23 23 ARG CA C 23 55.000 54.279 0.721 1
1 217 . 9 1 1 A 23 23 ARG CB C 23 32.420 33.645 -1.225 1
1 220 . 9 1 1 A 23 23 ARG N N 23 120.753 121.113 -0.360 1
1 221 . 9 1 1 A 24 24 ALA H H 24 8.408 8.721 -0.313 1
1 222 . 9 1 1 A 24 24 ALA HA H 24 5.145 4.977 0.168 1
1 226 . 9 1 1 A 24 24 ALA C C 24 177.092 176.511 0.581 1
1 227 . 9 1 1 A 24 24 ALA CA C 24 51.160 50.303 0.857 1
1 228 . 9 1 1 A 24 24 ALA CB C 24 21.490 20.407 1.083 1
1 229 . 9 1 1 A 24 24 ALA N N 24 124.606 123.988 0.618 1
1 230 . 9 1 1 A 25 25 VAL H H 25 8.842 8.696 0.146 1
1 231 . 9 1 1 A 25 25 VAL HA H 25 4.411 4.860 -0.449 1
1 239 . 9 1 1 A 25 25 VAL C C 25 174.558 175.501 -0.943 1
1 240 . 9 1 1 A 25 25 VAL CA C 25 60.160 60.001 0.159 1
1 241 . 9 1 1 A 25 25 VAL CB C 25 34.450 33.544 0.906 1
1 244 . 9 1 1 A 25 25 VAL N N 25 120.299 120.144 0.155 1
1 245 . 9 1 1 A 26 26 SER H H 26 8.744 9.073 -0.329 1
1 246 . 9 1 1 A 26 26 SER HA H 26 4.747 5.388 -0.641 1
1 249 . 9 1 1 A 26 26 SER C C 26 173.304 174.117 -0.813 1
1 250 . 9 1 1 A 26 26 SER CA C 26 58.720 55.808 2.912 1
1 251 . 9 1 1 A 26 26 SER CB C 26 63.910 66.287 -2.377 1
1 252 . 9 1 1 A 26 26 SER N N 26 121.229 118.703 2.526 1
1 253 . 9 1 1 A 27 27 ILE H H 27 8.716 8.984 -0.268 1
1 254 . 9 1 1 A 27 27 ILE HA H 27 4.360 5.025 -0.665 1
1 264 . 9 1 1 A 27 27 ILE C C 27 175.478 174.523 0.955 1
1 265 . 9 1 1 A 27 27 ILE CA C 27 60.670 60.564 0.106 1
1 266 . 9 1 1 A 27 27 ILE CB C 27 39.210 40.422 -1.212 1
1 270 . 9 1 1 A 27 27 ILE N N 27 124.450 122.566 1.884 1
1 271 . 9 1 1 A 28 28 VAL H H 28 8.426 8.665 -0.239 1
1 272 . 9 1 1 A 28 28 VAL HA H 28 4.298 4.629 -0.331 1
1 280 . 9 1 1 A 28 28 VAL CA C 28 61.850 61.298 0.552 1
1 281 . 9 1 1 A 28 28 VAL CB C 28 32.790 32.196 0.594 1
1 284 . 9 1 1 A 28 28 VAL N N 28 128.723 124.893 3.830 1
1 285 . 9 1 1 A 29 29 GLY H H 29 8.953 8.899 0.054 1
1 286 . 9 1 1 A 29 29 GLY HA2 H 29 3.988 3.881 0.107 1
1 287 . 9 1 1 A 29 29 GLY HA3 H 29 3.725 3.881 -0.156 1
1 288 . 9 1 1 A 29 29 GLY C C 29 176.487 174.259 2.228 1
1 289 . 9 1 1 A 29 29 GLY CA C 29 47.610 46.913 0.697 1
1 290 . 9 1 1 A 29 29 GLY N N 29 120.095 115.505 4.590 1
1 291 . 9 1 1 A 30 30 ASN H H 30 8.566 8.071 0.495 1
1 292 . 9 1 1 A 30 30 ASN HA H 30 4.422 4.988 -0.566 1
1 297 . 9 1 1 A 30 30 ASN C C 30 172.841 174.163 -1.322 1
1 298 . 9 1 1 A 30 30 ASN CA C 30 53.100 52.313 0.787 1
1 299 . 9 1 1 A 30 30 ASN CB C 30 38.630 38.912 -0.282 1
1 300 . 9 1 1 A 30 30 ASN N N 30 120.808 117.872 2.936 1
1 302 . 9 1 1 A 31 31 GLN H H 31 7.713 7.613 0.100 1
1 303 . 9 1 1 A 31 31 GLN HA H 31 5.672 4.915 0.757 1
1 310 . 9 1 1 A 31 31 GLN C C 31 174.828 173.674 1.154 1
1 311 . 9 1 1 A 31 31 GLN CA C 31 54.730 54.920 -0.190 1
1 312 . 9 1 1 A 31 31 GLN CB C 31 32.800 32.510 0.290 1
1 314 . 9 1 1 A 31 31 GLN N N 31 118.262 119.075 -0.813 1
1 316 . 9 1 1 A 32 32 ILE H H 32 9.113 8.606 0.507 1
1 317 . 9 1 1 A 32 32 ILE HA H 32 4.454 4.668 -0.214 1
1 327 . 9 1 1 A 32 32 ILE C C 32 173.439 172.823 0.616 1
1 328 . 9 1 1 A 32 32 ILE CA C 32 59.610 59.358 0.252 1
1 329 . 9 1 1 A 32 32 ILE CB C 32 42.350 41.326 1.024 1
1 333 . 9 1 1 A 32 32 ILE N N 32 124.849 122.932 1.917 1
1 334 . 9 1 1 A 33 33 ASP H H 33 9.066 8.753 0.313 1
1 335 . 9 1 1 A 33 33 ASP HA H 33 5.077 5.013 0.064 1
1 338 . 9 1 1 A 33 33 ASP C C 33 178.378 177.445 0.933 1
1 339 . 9 1 1 A 33 33 ASP CA C 33 53.460 53.365 0.095 1
1 340 . 9 1 1 A 33 33 ASP CB C 33 43.180 42.916 0.264 1
1 341 . 9 1 1 A 33 33 ASP N N 33 127.594 128.374 -0.780 1
1 342 . 9 1 1 A 34 34 SER H H 34 9.524 9.123 0.401 1
1 343 . 9 1 1 A 34 34 SER HA H 34 3.902 4.176 -0.274 1
1 346 . 9 1 1 A 34 34 SER C C 34 175.876 176.941 -1.065 1
1 347 . 9 1 1 A 34 34 SER CA C 34 61.980 61.582 0.398 1
1 348 . 9 1 1 A 34 34 SER CB C 34 61.510 62.707 -1.197 1
1 349 . 9 1 1 A 34 34 SER N N 34 125.026 121.672 3.354 1
1 350 . 9 1 1 A 35 35 ARG H H 35 9.022 8.137 0.885 1
1 351 . 9 1 1 A 35 35 ARG HA H 35 4.235 4.058 0.177 1
1 358 . 9 1 1 A 35 35 ARG C C 35 178.661 178.700 -0.039 1
1 359 . 9 1 1 A 35 35 ARG CA C 35 58.840 59.744 -0.904 1
1 360 . 9 1 1 A 35 35 ARG CB C 35 29.970 29.637 0.333 1
1 363 . 9 1 1 A 35 35 ARG N N 35 122.601 122.667 -0.066 1
1 364 . 9 1 1 A 36 36 GLU H H 36 7.689 7.943 -0.254 1
1 365 . 9 1 1 A 36 36 GLU HA H 36 4.202 4.027 0.175 1
1 370 . 9 1 1 A 36 36 GLU C C 36 177.285 179.016 -1.731 1
1 371 . 9 1 1 A 36 36 GLU CA C 36 57.340 59.035 -1.695 1
1 372 . 9 1 1 A 36 36 GLU CB C 36 30.910 29.327 1.583 1
1 374 . 9 1 1 A 36 36 GLU N N 36 115.420 118.430 -3.010 1
1 375 . 9 1 1 A 37 37 LEU H H 37 7.280 8.021 -0.741 1
1 376 . 9 1 1 A 37 37 LEU HA H 37 3.805 3.930 -0.125 1
1 386 . 9 1 1 A 37 37 LEU C C 37 176.410 177.957 -1.547 1
1 387 . 9 1 1 A 37 37 LEU CA C 37 56.790 57.524 -0.734 1
1 388 . 9 1 1 A 37 37 LEU CB C 37 42.510 41.748 0.762 1
1 392 . 9 1 1 A 37 37 LEU N N 37 117.043 119.561 -2.518 1
1 393 . 9 1 1 A 38 38 PHE H H 38 7.431 7.768 -0.337 1
1 394 . 9 1 1 A 38 38 PHE HA H 38 4.884 4.947 -0.063 1
1 402 . 9 1 1 A 38 38 PHE C C 38 176.018 176.210 -0.192 1
1 403 . 9 1 1 A 38 38 PHE CA C 38 57.320 57.992 -0.672 1
1 404 . 9 1 1 A 38 38 PHE CB C 38 38.500 38.502 -0.002 1
1 408 . 9 1 1 A 38 38 PHE N N 38 115.439 115.228 0.211 1
1 409 . 9 1 1 A 39 39 THR H H 39 7.632 7.551 0.081 1
1 410 . 9 1 1 A 39 39 THR HA H 39 4.256 4.080 0.176 1
1 415 . 9 1 1 A 39 39 THR C C 39 175.986 175.426 0.560 1
1 416 . 9 1 1 A 39 39 THR CA C 39 62.630 64.803 -2.173 1
1 417 . 9 1 1 A 39 39 THR CB C 39 69.240 68.801 0.439 1
1 419 . 9 1 1 A 39 39 THR N N 39 112.395 115.789 -3.394 1
1 420 . 9 1 1 A 40 40 VAL H H 40 8.246 7.771 0.475 1
1 421 . 9 1 1 A 40 40 VAL HA H 40 4.121 4.173 -0.052 1
1 429 . 9 1 1 A 40 40 VAL C C 40 175.233 175.173 0.060 1
1 430 . 9 1 1 A 40 40 VAL CA C 40 63.340 63.580 -0.240 1
1 431 . 9 1 1 A 40 40 VAL CB C 40 32.870 33.742 -0.872 1
1 434 . 9 1 1 A 40 40 VAL N N 40 118.329 119.088 -0.759 1
1 435 . 9 1 1 A 41 41 ASP H H 41 8.048 7.981 0.067 1
1 436 . 9 1 1 A 41 41 ASP HA H 41 4.792 4.974 -0.182 1
1 439 . 9 1 1 A 41 41 ASP CA C 41 53.950 53.587 0.363 1
1 440 . 9 1 1 A 41 41 ASP CB C 41 43.630 42.100 1.530 1
1 441 . 9 1 1 A 41 41 ASP N N 41 120.465 119.303 1.162 1
1 442 . 9 1 1 A 42 42 ARG H H 42 8.639 8.947 -0.308 1
1 443 . 9 1 1 A 42 42 ARG HA H 42 4.157 4.294 -0.137 1
1 450 . 9 1 1 A 42 42 ARG C C 42 173.606 175.688 -2.082 1
1 451 . 9 1 1 A 42 42 ARG CA C 42 56.340 57.931 -1.591 1
1 452 . 9 1 1 A 42 42 ARG CB C 42 29.930 30.388 -0.458 1
1 455 . 9 1 1 A 42 42 ARG N N 42 116.578 126.018 -9.440 1
1 456 . 9 1 1 A 43 43 GLU H H 43 7.452 7.851 -0.399 1
1 457 . 9 1 1 A 43 43 GLU HA H 43 5.413 5.302 0.111 1
1 462 . 9 1 1 A 43 43 GLU C C 43 174.192 174.378 -0.186 1
1 463 . 9 1 1 A 43 43 GLU CA C 43 55.100 55.986 -0.886 1
1 464 . 9 1 1 A 43 43 GLU CB C 43 34.110 33.235 0.875 1
1 466 . 9 1 1 A 43 43 GLU N N 43 116.369 118.172 -1.803 1
1 467 . 9 1 1 A 44 44 ILE H H 44 9.056 9.406 -0.350 1
1 468 . 9 1 1 A 44 44 ILE HA H 44 4.696 4.927 -0.231 1
1 478 . 9 1 1 A 44 44 ILE C C 44 173.831 174.722 -0.891 1
1 479 . 9 1 1 A 44 44 ILE CA C 44 58.070 59.556 -1.486 1
1 480 . 9 1 1 A 44 44 ILE CB C 44 41.140 42.394 -1.254 1
1 484 . 9 1 1 A 44 44 ILE N N 44 123.963 126.929 -2.966 1
1 485 . 9 1 1 A 45 45 VAL H H 45 8.740 8.912 -0.172 1
1 486 . 9 1 1 A 45 45 VAL HA H 45 4.850 4.828 0.022 1
1 494 . 9 1 1 A 45 45 VAL C C 45 175.175 174.995 0.180 1
1 495 . 9 1 1 A 45 45 VAL CA C 45 60.990 61.662 -0.672 1
1 496 . 9 1 1 A 45 45 VAL CB C 45 33.810 32.747 1.063 1
1 499 . 9 1 1 A 45 45 VAL N N 45 126.299 127.048 -0.749 1
1 500 . 9 1 1 A 46 46 ILE H H 46 9.367 9.166 0.201 1
1 501 . 9 1 1 A 46 46 ILE HA H 46 4.830 4.817 0.013 1
1 511 . 9 1 1 A 46 46 ILE C C 46 175.433 175.161 0.272 1
1 512 . 9 1 1 A 46 46 ILE CA C 46 59.350 60.313 -0.963 1
1 513 . 9 1 1 A 46 46 ILE CB C 46 39.410 38.125 1.285 1
1 517 . 9 1 1 A 46 46 ILE N N 46 126.797 129.413 -2.616 1
1 518 . 9 1 1 A 47 47 ALA H H 47 9.173 8.872 0.301 1
1 519 . 9 1 1 A 47 47 ALA HA H 47 4.790 5.266 -0.476 1
1 523 . 9 1 1 A 47 47 ALA C C 47 175.394 176.835 -1.441 1
1 524 . 9 1 1 A 47 47 ALA CA C 47 51.500 51.668 -0.168 1
1 525 . 9 1 1 A 47 47 ALA CB C 47 19.020 20.511 -1.491 1
1 526 . 9 1 1 A 47 47 ALA N N 47 131.668 131.519 0.149 1
1 527 . 9 1 1 A 48 48 HIS H H 48 8.473 9.003 -0.530 1
1 528 . 9 1 1 A 48 48 HIS HA H 48 5.394 4.925 0.469 1
1 533 . 9 1 1 A 48 48 HIS C C 48 175.182 174.897 0.285 1
1 534 . 9 1 1 A 48 48 HIS CA C 48 54.520 55.502 -0.982 1
1 535 . 9 1 1 A 48 48 HIS CB C 48 33.190 32.481 0.709 1
1 538 . 9 1 1 A 48 48 HIS N N 48 126.144 122.267 3.877 1
1 539 . 9 1 1 A 49 49 GLY H H 49 8.847 8.777 0.070 1
1 540 . 9 1 1 A 49 49 GLY HA2 H 49 3.795 3.699 0.096 1
1 541 . 9 1 1 A 49 49 GLY HA3 H 49 3.549 3.708 -0.159 1
1 542 . 9 1 1 A 49 49 GLY CA C 49 46.950 45.836 1.114 1
1 543 . 9 1 1 A 49 49 GLY N N 49 117.318 114.652 2.666 1
1 544 . 9 1 1 A 50 50 ASP HA H 50 4.639 4.310 0.329 1
1 547 . 9 1 1 A 50 50 ASP C C 50 175.825 174.914 0.911 1
1 548 . 9 1 1 A 50 50 ASP CA C 50 55.070 55.508 -0.438 1
1 549 . 9 1 1 A 50 50 ASP CB C 50 31.070 40.834 -9.764 1
1 550 . 9 1 1 A 51 51 ASP H H 51 8.166 7.844 0.322 1
1 551 . 9 1 1 A 51 51 ASP HA H 51 4.810 4.930 -0.120 1
1 554 . 9 1 1 A 51 51 ASP C C 51 176.635 174.893 1.742 1
1 555 . 9 1 1 A 51 51 ASP CA C 51 53.950 53.264 0.686 1
1 556 . 9 1 1 A 51 51 ASP CB C 51 43.250 42.922 0.328 1
1 557 . 9 1 1 A 51 51 ASP N N 51 120.310 120.555 -0.245 1
1 558 . 9 1 1 A 52 52 ARG H H 52 8.784 8.452 0.332 1
1 559 . 9 1 1 A 52 52 ARG HA H 52 4.970 5.153 -0.183 1
1 566 . 9 1 1 A 52 52 ARG C C 52 174.757 174.814 -0.057 1
1 567 . 9 1 1 A 52 52 ARG CA C 52 54.250 54.704 -0.454 1
1 568 . 9 1 1 A 52 52 ARG CB C 52 31.440 32.329 -0.889 1
1 571 . 9 1 1 A 52 52 ARG N N 52 123.348 121.853 1.495 1
1 572 . 9 1 1 A 53 53 TYR H H 53 8.850 9.503 -0.653 1
1 573 . 9 1 1 A 53 53 TYR HA H 53 4.806 5.278 -0.472 1
1 580 . 9 1 1 A 53 53 TYR C C 53 174.989 175.230 -0.241 1
1 581 . 9 1 1 A 53 53 TYR CA C 53 56.850 56.970 -0.120 1
1 582 . 9 1 1 A 53 53 TYR CB C 53 41.480 42.429 -0.949 1
1 585 . 9 1 1 A 53 53 TYR N N 53 122.391 123.260 -0.869 1
1 586 . 9 1 1 A 54 54 ARG H H 54 9.387 9.156 0.231 1
1 587 . 9 1 1 A 54 54 ARG HA H 54 4.936 5.320 -0.384 1
1 594 . 9 1 1 A 54 54 ARG C C 54 174.076 174.555 -0.479 1
1 595 . 9 1 1 A 54 54 ARG CA C 54 55.100 54.758 0.342 1
1 596 . 9 1 1 A 54 54 ARG CB C 54 31.750 32.513 -0.763 1
1 599 . 9 1 1 A 54 54 ARG N N 54 120.797 120.504 0.293 1
1 600 . 9 1 1 A 55 55 LEU H H 55 9.271 9.034 0.237 1
1 601 . 9 1 1 A 55 55 LEU HA H 55 5.237 5.044 0.193 1
1 611 . 9 1 1 A 55 55 LEU C C 55 174.841 175.615 -0.774 1
1 612 . 9 1 1 A 55 55 LEU CA C 55 53.590 54.516 -0.926 1
1 613 . 9 1 1 A 55 55 LEU CB C 55 43.470 43.303 0.167 1
1 617 . 9 1 1 A 55 55 LEU N N 55 128.735 127.957 0.778 1
1 618 . 9 1 1 A 56 56 ARG H H 56 9.000 9.236 -0.236 1
1 619 . 9 1 1 A 56 56 ARG HA H 56 5.110 5.115 -0.005 1
1 626 . 9 1 1 A 56 56 ARG C C 56 173.413 173.658 -0.245 1
1 627 . 9 1 1 A 56 56 ARG CA C 56 54.440 54.333 0.107 1
1 628 . 9 1 1 A 56 56 ARG CB C 56 34.540 33.803 0.737 1
1 631 . 9 1 1 A 56 56 ARG N N 56 125.280 128.695 -3.415 1
1 632 . 9 1 1 A 57 57 LEU H H 57 7.631 8.478 -0.847 1
1 633 . 9 1 1 A 57 57 LEU HA H 57 4.667 4.614 0.053 1
1 643 . 9 1 1 A 57 57 LEU C C 57 177.709 176.566 1.143 1
1 644 . 9 1 1 A 57 57 LEU CA C 57 52.710 53.059 -0.349 1
1 645 . 9 1 1 A 57 57 LEU CB C 57 42.480 43.770 -1.290 1
1 649 . 9 1 1 A 57 57 LEU N N 57 122.967 127.599 -4.632 1
1 650 . 9 1 1 A 58 58 THR H H 58 9.001 8.738 0.263 1
1 651 . 9 1 1 A 58 58 THR HA H 58 4.508 4.442 0.066 1
1 656 . 9 1 1 A 58 58 THR CA C 58 60.440 60.909 -0.469 1
1 657 . 9 1 1 A 58 58 THR CB C 58 71.960 70.924 1.036 1
1 659 . 9 1 1 A 58 58 THR N N 58 116.533 115.991 0.542 1
1 660 . 9 1 1 A 60 60 GLN HA H 60 4.433 4.521 -0.088 1
1 665 . 9 1 1 A 60 60 GLN C C 60 174.738 176.091 -1.353 1
1 666 . 9 1 1 A 60 60 GLN CA C 60 55.280 55.159 0.121 1
1 667 . 9 1 1 A 60 60 GLN CB C 60 28.190 30.185 -1.995 1
1 669 . 9 1 1 A 61 61 ASN H H 61 8.333 8.405 -0.072 1
1 670 . 9 1 1 A 61 61 ASN HA H 61 4.262 4.729 -0.467 1
1 675 . 9 1 1 A 61 61 ASN C C 61 174.725 174.873 -0.148 1
1 676 . 9 1 1 A 61 61 ASN CA C 61 54.130 54.985 -0.855 1
1 677 . 9 1 1 A 61 61 ASN CB C 61 37.560 39.257 -1.697 1
1 678 . 9 1 1 A 61 61 ASN N N 61 116.480 118.639 -2.159 1
1 680 . 9 1 1 A 62 62 LYS H H 62 7.111 8.058 -0.947 1
1 681 . 9 1 1 A 62 62 LYS HA H 62 4.520 4.586 -0.066 1
1 690 . 9 1 1 A 62 62 LYS C C 62 174.057 173.899 0.158 1
1 691 . 9 1 1 A 62 62 LYS CA C 62 53.930 55.034 -1.104 1
1 692 . 9 1 1 A 62 62 LYS CB C 62 34.060 33.156 0.904 1
1 696 . 9 1 1 A 62 62 LYS N N 62 116.535 113.698 2.837 1
1 697 . 9 1 1 A 63 63 LEU H H 63 6.706 8.503 -1.797 1
1 698 . 9 1 1 A 63 63 LEU HA H 63 5.093 5.239 -0.146 1
1 708 . 9 1 1 A 63 63 LEU C C 63 175.503 175.509 -0.006 1
1 709 . 9 1 1 A 63 63 LEU CA C 63 53.330 52.497 0.833 1
1 710 . 9 1 1 A 63 63 LEU CB C 63 43.280 46.075 -2.795 1
1 714 . 9 1 1 A 63 63 LEU N N 63 119.236 114.400 4.836 1
1 715 . 9 1 1 A 64 64 ILE H H 64 8.471 8.973 -0.502 1
1 716 . 9 1 1 A 64 64 ILE HA H 64 4.429 4.991 -0.562 1
1 726 . 9 1 1 A 64 64 ILE C C 64 172.642 173.554 -0.912 1
1 727 . 9 1 1 A 64 64 ILE CA C 64 59.520 58.911 0.609 1
1 728 . 9 1 1 A 64 64 ILE CB C 64 42.740 42.330 0.410 1
1 732 . 9 1 1 A 64 64 ILE N N 64 116.258 114.598 1.660 1
1 733 . 9 1 1 A 65 65 LEU H H 65 8.429 8.838 -0.409 1
1 734 . 9 1 1 A 65 65 LEU HA H 65 5.543 5.288 0.255 1
1 744 . 9 1 1 A 65 65 LEU C C 65 176.050 174.750 1.300 1
1 745 . 9 1 1 A 65 65 LEU CA C 65 53.230 53.620 -0.390 1
1 746 . 9 1 1 A 65 65 LEU CB C 65 46.610 44.549 2.061 1
1 750 . 9 1 1 A 65 65 LEU N N 65 125.259 124.044 1.215 1
1 751 . 9 1 1 A 66 66 THR H H 66 9.302 9.112 0.190 1
1 752 . 9 1 1 A 66 66 THR HA H 66 4.905 5.011 -0.106 1
1 757 . 9 1 1 A 66 66 THR C C 66 172.436 172.378 0.058 1
1 758 . 9 1 1 A 66 66 THR CA C 66 59.850 59.972 -0.122 1
1 759 . 9 1 1 A 66 66 THR CB C 66 71.650 70.732 0.918 1
1 761 . 9 1 1 A 66 66 THR N N 66 121.417 119.686 1.731 1
1 7 . 10 1 1 A 2 2 MET H H 2 8.334 8.558 -0.224 1
1 8 . 10 1 1 A 2 2 MET HA H 2 4.432 5.361 -0.929 1
1 16 . 10 1 1 A 2 2 MET C C 2 176.391 174.999 1.392 1
1 17 . 10 1 1 A 2 2 MET CA C 2 55.880 54.033 1.847 1
1 18 . 10 1 1 A 2 2 MET CB C 2 32.400 34.450 -2.050 1
1 21 . 10 1 1 A 2 2 MET N N 2 121.118 118.138 2.980 1
1 22 . 10 1 1 A 3 3 THR H H 3 8.177 8.943 -0.766 1
1 23 . 10 1 1 A 3 3 THR HA H 3 4.338 4.838 -0.500 1
1 28 . 10 1 1 A 3 3 THR C C 3 174.455 172.917 1.538 1
1 29 . 10 1 1 A 3 3 THR CA C 3 61.410 59.605 1.805 1
1 30 . 10 1 1 A 3 3 THR CB C 3 69.710 71.118 -1.408 1
1 32 . 10 1 1 A 3 3 THR N N 3 115.029 116.602 -1.573 1
1 33 . 10 1 1 A 4 4 ALA H H 4 8.429 8.203 0.226 1
1 34 . 10 1 1 A 4 4 ALA HA H 4 4.303 4.267 0.036 1
1 38 . 10 1 1 A 4 4 ALA C C 4 178.127 176.787 1.340 1
1 39 . 10 1 1 A 4 4 ALA CA C 4 52.580 52.468 0.112 1
1 40 . 10 1 1 A 4 4 ALA CB C 4 19.370 18.814 0.556 1
1 41 . 10 1 1 A 4 4 ALA N N 4 126.222 126.683 -0.461 1
1 42 . 10 1 1 A 5 5 SER H H 5 8.257 8.357 -0.100 1
1 43 . 10 1 1 A 5 5 SER HA H 5 4.352 4.919 -0.567 1
1 46 . 10 1 1 A 5 5 SER C C 5 174.687 173.757 0.930 1
1 47 . 10 1 1 A 5 5 SER CA C 5 58.790 56.632 2.158 1
1 48 . 10 1 1 A 5 5 SER CB C 5 63.720 64.835 -1.115 1
1 49 . 10 1 1 A 5 5 SER N N 5 114.762 118.202 -3.440 1
1 50 . 10 1 1 A 6 6 ASP H H 6 8.186 8.490 -0.304 1
1 51 . 10 1 1 A 6 6 ASP HA H 6 4.547 4.741 -0.194 1
1 54 . 10 1 1 A 6 6 ASP C C 6 176.423 174.913 1.510 1
1 55 . 10 1 1 A 6 6 ASP CA C 6 54.760 53.805 0.955 1
1 56 . 10 1 1 A 6 6 ASP CB C 6 41.110 39.070 2.040 1
1 57 . 10 1 1 A 6 6 ASP N N 6 122.104 118.605 3.499 1
1 58 . 10 1 1 A 7 7 ARG H H 7 8.063 8.583 -0.520 1
1 59 . 10 1 1 A 7 7 ARG HA H 7 4.276 4.803 -0.527 1
1 66 . 10 1 1 A 7 7 ARG C C 7 176.455 174.448 2.007 1
1 67 . 10 1 1 A 7 7 ARG CA C 7 56.310 54.984 1.326 1
1 68 . 10 1 1 A 7 7 ARG CB C 7 30.470 31.330 -0.860 1
1 71 . 10 1 1 A 7 7 ARG N N 7 120.343 124.356 -4.013 1
1 72 . 10 1 1 A 8 8 LEU H H 8 8.157 8.469 -0.312 1
1 73 . 10 1 1 A 8 8 LEU HA H 8 4.288 4.840 -0.552 1
1 83 . 10 1 1 A 8 8 LEU C C 8 177.940 175.157 2.783 1
1 84 . 10 1 1 A 8 8 LEU CA C 8 55.630 53.568 2.062 1
1 85 . 10 1 1 A 8 8 LEU CB C 8 42.540 44.818 -2.278 1
1 89 . 10 1 1 A 8 8 LEU N N 8 122.546 124.890 -2.344 1
1 90 . 10 1 1 A 9 9 GLY H H 9 8.290 8.899 -0.609 1
1 91 . 10 1 1 A 9 9 GLY HA2 H 9 3.896 3.931 -0.035 1
1 92 . 10 1 1 A 9 9 GLY HA3 H 9 3.896 3.931 -0.035 1
1 93 . 10 1 1 A 9 9 GLY C C 9 173.664 174.765 -1.101 1
1 94 . 10 1 1 A 9 9 GLY CA C 9 45.320 47.054 -1.734 1
1 95 . 10 1 1 A 9 9 GLY N N 9 109.549 112.208 -2.659 1
1 96 . 10 1 1 A 10 10 ALA H H 10 7.980 8.767 -0.787 1
1 97 . 10 1 1 A 10 10 ALA HA H 10 4.276 3.895 0.381 1
1 101 . 10 1 1 A 10 10 ALA C C 10 177.182 176.053 1.129 1
1 102 . 10 1 1 A 10 10 ALA CA C 10 52.130 54.736 -2.606 1
1 103 . 10 1 1 A 10 10 ALA CB C 10 19.460 17.971 1.489 1
1 104 . 10 1 1 A 10 10 ALA N N 10 123.266 120.374 2.892 1
1 105 . 10 1 1 A 11 11 ASP H H 11 8.292 8.254 0.038 1
1 106 . 10 1 1 A 11 11 ASP HA H 11 4.840 5.061 -0.221 1
1 109 . 10 1 1 A 11 11 ASP CA C 11 51.950 50.695 1.255 1
1 110 . 10 1 1 A 11 11 ASP CB C 11 41.320 43.219 -1.899 1
1 111 . 10 1 1 A 11 11 ASP N N 11 120.930 117.823 3.107 1
1 112 . 10 1 1 A 12 12 PRO HA H 12 4.450 4.472 -0.022 1
1 119 . 10 1 1 A 12 12 PRO C C 12 177.670 176.366 1.304 1
1 120 . 10 1 1 A 12 12 PRO CA C 12 63.940 64.194 -0.254 1
1 121 . 10 1 1 A 12 12 PRO CB C 12 32.180 32.155 0.025 1
1 124 . 10 1 1 A 13 13 THR H H 13 8.304 7.450 0.854 1
1 125 . 10 1 1 A 13 13 THR HA H 13 4.234 4.478 -0.244 1
1 130 . 10 1 1 A 13 13 THR C C 13 175.085 172.026 3.059 1
1 131 . 10 1 1 A 13 13 THR CA C 13 62.770 60.515 2.255 1
1 132 . 10 1 1 A 13 13 THR CB C 13 69.509 69.765 -0.256 1
1 134 . 10 1 1 A 13 13 THR N N 13 112.749 110.961 1.788 1
1 135 . 10 1 1 A 14 14 GLN H H 14 7.963 8.599 -0.636 1
1 136 . 10 1 1 A 14 14 GLN HA H 14 4.282 4.323 -0.041 1
1 141 . 10 1 1 A 14 14 GLN C C 14 175.773 176.292 -0.519 1
1 142 . 10 1 1 A 14 14 GLN CA C 14 55.770 55.159 0.611 1
1 143 . 10 1 1 A 14 14 GLN CB C 14 29.440 28.523 0.917 1
1 145 . 10 1 1 A 14 14 GLN N N 14 121.849 123.775 -1.926 1
1 146 . 10 1 1 A 15 15 ALA H H 15 8.150 8.732 -0.582 1
1 147 . 10 1 1 A 15 15 ALA HA H 15 4.237 3.996 0.241 1
1 151 . 10 1 1 A 15 15 ALA C C 15 177.587 178.617 -1.030 1
1 152 . 10 1 1 A 15 15 ALA CA C 15 52.750 55.139 -2.389 1
1 153 . 10 1 1 A 15 15 ALA CB C 15 19.180 18.519 0.661 1
1 154 . 10 1 1 A 15 15 ALA N N 15 125.125 129.942 -4.817 1
1 155 . 10 1 1 A 16 16 ALA H H 16 8.234 7.787 0.447 1
1 156 . 10 1 1 A 16 16 ALA HA H 16 4.291 4.294 -0.003 1
1 160 . 10 1 1 A 16 16 ALA C C 16 177.741 178.061 -0.320 1
1 161 . 10 1 1 A 16 16 ALA CA C 16 52.410 51.684 0.726 1
1 162 . 10 1 1 A 16 16 ALA CB C 16 19.130 17.910 1.220 1
1 163 . 10 1 1 A 16 16 ALA N N 16 123.189 120.014 3.175 1
1 164 . 10 1 1 A 17 17 SER H H 17 8.162 8.477 -0.315 1
1 165 . 10 1 1 A 17 17 SER HA H 17 4.431 4.441 -0.010 1
1 168 . 10 1 1 A 17 17 SER CA C 17 58.160 59.237 -1.077 1
1 169 . 10 1 1 A 17 17 SER CB C 17 64.030 63.631 0.399 1
1 170 . 10 1 1 A 17 17 SER N N 17 114.762 118.299 -3.537 1
1 171 . 10 1 1 A 18 18 SER H H 18 8.246 7.668 0.578 1
1 172 . 10 1 1 A 18 18 SER HA H 18 4.747 4.696 0.051 1
1 173 . 10 1 1 A 18 18 SER CA C 18 58.640 55.842 2.798 1
1 174 . 10 1 1 A 18 18 SER N N 18 118.482 118.127 0.355 1
1 175 . 10 1 1 A 19 19 PRO HA H 19 4.426 4.802 -0.376 1
1 182 . 10 1 1 A 19 19 PRO CA C 19 63.790 61.950 1.840 1
1 183 . 10 1 1 A 19 19 PRO CB C 19 32.220 32.913 -0.693 1
1 186 . 10 1 1 A 20 20 GLY H H 20 8.452 8.765 -0.313 1
1 187 . 10 1 1 A 20 20 GLY HA2 H 20 3.938 3.808 0.130 1
1 188 . 10 1 1 A 20 20 GLY HA3 H 20 3.938 3.808 0.130 1
1 189 . 10 1 1 A 20 20 GLY C C 20 174.674 175.285 -0.611 1
1 190 . 10 1 1 A 20 20 GLY CA C 20 45.330 46.801 -1.471 1
1 191 . 10 1 1 A 20 20 GLY N N 20 109.329 108.172 1.157 1
1 192 . 10 1 1 A 21 21 GLY H H 21 8.217 8.228 -0.011 1
1 193 . 10 1 1 A 21 21 GLY HA2 H 21 3.946 3.896 0.050 1
1 194 . 10 1 1 A 21 21 GLY HA3 H 21 3.946 3.897 0.049 1
1 195 . 10 1 1 A 21 21 GLY C C 21 173.555 174.658 -1.103 1
1 196 . 10 1 1 A 21 21 GLY CA C 21 45.390 46.956 -1.566 1
1 197 . 10 1 1 A 21 21 GLY N N 21 108.749 108.822 -0.073 1
1 198 . 10 1 1 A 22 22 ALA H H 22 8.147 7.815 0.332 1
1 199 . 10 1 1 A 22 22 ALA HA H 22 4.866 4.517 0.349 1
1 203 . 10 1 1 A 22 22 ALA C C 22 176.931 177.059 -0.128 1
1 204 . 10 1 1 A 22 22 ALA CA C 22 51.910 50.854 1.056 1
1 205 . 10 1 1 A 22 22 ALA CB C 22 20.490 20.672 -0.182 1
1 206 . 10 1 1 A 22 22 ALA N N 22 124.041 123.160 0.881 1
1 207 . 10 1 1 A 23 23 ARG H H 23 8.699 9.124 -0.425 1
1 208 . 10 1 1 A 23 23 ARG HA H 23 4.641 4.910 -0.269 1
1 215 . 10 1 1 A 23 23 ARG C C 23 173.587 174.460 -0.873 1
1 216 . 10 1 1 A 23 23 ARG CA C 23 55.000 54.266 0.734 1
1 217 . 10 1 1 A 23 23 ARG CB C 23 32.420 33.644 -1.224 1
1 220 . 10 1 1 A 23 23 ARG N N 23 120.753 120.780 -0.027 1
1 221 . 10 1 1 A 24 24 ALA H H 24 8.408 8.706 -0.298 1
1 222 . 10 1 1 A 24 24 ALA HA H 24 5.145 5.022 0.123 1
1 226 . 10 1 1 A 24 24 ALA C C 24 177.092 176.775 0.317 1
1 227 . 10 1 1 A 24 24 ALA CA C 24 51.160 50.537 0.623 1
1 228 . 10 1 1 A 24 24 ALA CB C 24 21.490 20.419 1.071 1
1 229 . 10 1 1 A 24 24 ALA N N 24 124.606 124.556 0.050 1
1 230 . 10 1 1 A 25 25 VAL H H 25 8.842 8.936 -0.094 1
1 231 . 10 1 1 A 25 25 VAL HA H 25 4.411 4.867 -0.456 1
1 239 . 10 1 1 A 25 25 VAL C C 25 174.558 175.352 -0.794 1
1 240 . 10 1 1 A 25 25 VAL CA C 25 60.160 60.118 0.042 1
1 241 . 10 1 1 A 25 25 VAL CB C 25 34.450 33.988 0.462 1
1 244 . 10 1 1 A 25 25 VAL N N 25 120.299 119.478 0.821 1
1 245 . 10 1 1 A 26 26 SER H H 26 8.744 8.847 -0.103 1
1 246 . 10 1 1 A 26 26 SER HA H 26 4.747 5.168 -0.421 1
1 249 . 10 1 1 A 26 26 SER C C 26 173.304 174.127 -0.823 1
1 250 . 10 1 1 A 26 26 SER CA C 26 58.720 56.453 2.267 1
1 251 . 10 1 1 A 26 26 SER CB C 26 63.910 65.017 -1.107 1
1 252 . 10 1 1 A 26 26 SER N N 26 121.229 119.414 1.815 1
1 253 . 10 1 1 A 27 27 ILE H H 27 8.716 8.840 -0.124 1
1 254 . 10 1 1 A 27 27 ILE HA H 27 4.360 4.772 -0.412 1
1 264 . 10 1 1 A 27 27 ILE C C 27 175.478 174.448 1.030 1
1 265 . 10 1 1 A 27 27 ILE CA C 27 60.670 60.341 0.329 1
1 266 . 10 1 1 A 27 27 ILE CB C 27 39.210 40.632 -1.422 1
1 270 . 10 1 1 A 27 27 ILE N N 27 124.450 122.671 1.779 1
1 271 . 10 1 1 A 28 28 VAL H H 28 8.426 8.348 0.078 1
1 272 . 10 1 1 A 28 28 VAL HA H 28 4.298 4.777 -0.479 1
1 280 . 10 1 1 A 28 28 VAL CA C 28 61.850 60.434 1.416 1
1 281 . 10 1 1 A 28 28 VAL CB C 28 32.790 32.968 -0.178 1
1 284 . 10 1 1 A 28 28 VAL N N 28 128.723 123.659 5.064 1
1 285 . 10 1 1 A 29 29 GLY H H 29 8.953 8.881 0.072 1
1 286 . 10 1 1 A 29 29 GLY HA2 H 29 3.988 3.916 0.072 1
1 287 . 10 1 1 A 29 29 GLY HA3 H 29 3.725 3.917 -0.192 1
1 288 . 10 1 1 A 29 29 GLY C C 29 176.487 174.215 2.272 1
1 289 . 10 1 1 A 29 29 GLY CA C 29 47.610 46.454 1.156 1
1 290 . 10 1 1 A 29 29 GLY N N 29 120.095 115.169 4.926 1
1 291 . 10 1 1 A 30 30 ASN H H 30 8.566 7.898 0.668 1
1 292 . 10 1 1 A 30 30 ASN HA H 30 4.422 4.929 -0.507 1
1 297 . 10 1 1 A 30 30 ASN C C 30 172.841 174.359 -1.518 1
1 298 . 10 1 1 A 30 30 ASN CA C 30 53.100 52.464 0.636 1
1 299 . 10 1 1 A 30 30 ASN CB C 30 38.630 39.538 -0.908 1
1 300 . 10 1 1 A 30 30 ASN N N 30 120.808 118.069 2.739 1
1 302 . 10 1 1 A 31 31 GLN H H 31 7.713 7.275 0.438 1
1 303 . 10 1 1 A 31 31 GLN HA H 31 5.672 5.034 0.638 1
1 310 . 10 1 1 A 31 31 GLN C C 31 174.828 173.738 1.090 1
1 311 . 10 1 1 A 31 31 GLN CA C 31 54.730 54.169 0.561 1
1 312 . 10 1 1 A 31 31 GLN CB C 31 32.800 31.849 0.951 1
1 314 . 10 1 1 A 31 31 GLN N N 31 118.262 120.441 -2.179 1
1 316 . 10 1 1 A 32 32 ILE H H 32 9.113 8.995 0.118 1
1 317 . 10 1 1 A 32 32 ILE HA H 32 4.454 5.067 -0.613 1
1 327 . 10 1 1 A 32 32 ILE C C 32 173.439 172.618 0.821 1
1 328 . 10 1 1 A 32 32 ILE CA C 32 59.610 59.306 0.304 1
1 329 . 10 1 1 A 32 32 ILE CB C 32 42.350 41.849 0.501 1
1 333 . 10 1 1 A 32 32 ILE N N 32 124.849 127.092 -2.243 1
1 334 . 10 1 1 A 33 33 ASP H H 33 9.066 8.679 0.387 1
1 335 . 10 1 1 A 33 33 ASP HA H 33 5.077 4.996 0.081 1
1 338 . 10 1 1 A 33 33 ASP C C 33 178.378 177.081 1.297 1
1 339 . 10 1 1 A 33 33 ASP CA C 33 53.460 55.207 -1.747 1
1 340 . 10 1 1 A 33 33 ASP CB C 33 43.180 43.577 -0.397 1
1 341 . 10 1 1 A 33 33 ASP N N 33 127.594 127.468 0.126 1
1 342 . 10 1 1 A 34 34 SER H H 34 9.524 9.139 0.385 1
1 343 . 10 1 1 A 34 34 SER HA H 34 3.902 4.248 -0.346 1
1 346 . 10 1 1 A 34 34 SER C C 34 175.876 176.503 -0.627 1
1 347 . 10 1 1 A 34 34 SER CA C 34 61.980 61.360 0.620 1
1 348 . 10 1 1 A 34 34 SER CB C 34 61.510 62.848 -1.338 1
1 349 . 10 1 1 A 34 34 SER N N 34 125.026 121.484 3.542 1
1 350 . 10 1 1 A 35 35 ARG H H 35 9.022 7.702 1.320 1
1 351 . 10 1 1 A 35 35 ARG HA H 35 4.235 4.262 -0.027 1
1 358 . 10 1 1 A 35 35 ARG C C 35 178.661 178.701 -0.040 1
1 359 . 10 1 1 A 35 35 ARG CA C 35 58.840 59.138 -0.298 1
1 360 . 10 1 1 A 35 35 ARG CB C 35 29.970 29.671 0.299 1
1 363 . 10 1 1 A 35 35 ARG N N 35 122.601 123.350 -0.749 1
1 364 . 10 1 1 A 36 36 GLU H H 36 7.689 7.864 -0.175 1
1 365 . 10 1 1 A 36 36 GLU HA H 36 4.202 4.020 0.182 1
1 370 . 10 1 1 A 36 36 GLU C C 36 177.285 179.356 -2.071 1
1 371 . 10 1 1 A 36 36 GLU CA C 36 57.340 58.735 -1.395 1
1 372 . 10 1 1 A 36 36 GLU CB C 36 30.910 29.350 1.560 1
1 374 . 10 1 1 A 36 36 GLU N N 36 115.420 119.802 -4.382 1
1 375 . 10 1 1 A 37 37 LEU H H 37 7.280 7.973 -0.693 1
1 376 . 10 1 1 A 37 37 LEU HA H 37 3.805 3.944 -0.139 1
1 386 . 10 1 1 A 37 37 LEU C C 37 176.410 177.918 -1.508 1
1 387 . 10 1 1 A 37 37 LEU CA C 37 56.790 57.436 -0.646 1
1 388 . 10 1 1 A 37 37 LEU CB C 37 42.510 41.780 0.730 1
1 392 . 10 1 1 A 37 37 LEU N N 37 117.043 119.592 -2.549 1
1 393 . 10 1 1 A 38 38 PHE H H 38 7.431 7.742 -0.311 1
1 394 . 10 1 1 A 38 38 PHE HA H 38 4.884 4.704 0.180 1
1 402 . 10 1 1 A 38 38 PHE C C 38 176.018 176.137 -0.119 1
1 403 . 10 1 1 A 38 38 PHE CA C 38 57.320 57.604 -0.284 1
1 404 . 10 1 1 A 38 38 PHE CB C 38 38.500 38.451 0.049 1
1 408 . 10 1 1 A 38 38 PHE N N 38 115.439 115.074 0.365 1
1 409 . 10 1 1 A 39 39 THR H H 39 7.632 7.651 -0.019 1
1 410 . 10 1 1 A 39 39 THR HA H 39 4.256 4.107 0.149 1
1 415 . 10 1 1 A 39 39 THR C C 39 175.986 175.503 0.483 1
1 416 . 10 1 1 A 39 39 THR CA C 39 62.630 65.314 -2.684 1
1 417 . 10 1 1 A 39 39 THR CB C 39 69.240 68.814 0.426 1
1 419 . 10 1 1 A 39 39 THR N N 39 112.395 114.949 -2.554 1
1 420 . 10 1 1 A 40 40 VAL H H 40 8.246 7.633 0.613 1
1 421 . 10 1 1 A 40 40 VAL HA H 40 4.121 4.150 -0.029 1
1 429 . 10 1 1 A 40 40 VAL C C 40 175.233 175.854 -0.621 1
1 430 . 10 1 1 A 40 40 VAL CA C 40 63.340 63.666 -0.326 1
1 431 . 10 1 1 A 40 40 VAL CB C 40 32.870 32.615 0.255 1
1 434 . 10 1 1 A 40 40 VAL N N 40 118.329 119.476 -1.147 1
1 435 . 10 1 1 A 41 41 ASP H H 41 8.048 7.888 0.160 1
1 436 . 10 1 1 A 41 41 ASP HA H 41 4.792 4.792 0.000 1
1 439 . 10 1 1 A 41 41 ASP CA C 41 53.950 53.738 0.212 1
1 440 . 10 1 1 A 41 41 ASP CB C 41 43.630 42.036 1.594 1
1 441 . 10 1 1 A 41 41 ASP N N 41 120.465 119.876 0.589 1
1 442 . 10 1 1 A 42 42 ARG H H 42 8.639 8.990 -0.351 1
1 443 . 10 1 1 A 42 42 ARG HA H 42 4.157 4.673 -0.516 1
1 450 . 10 1 1 A 42 42 ARG C C 42 173.606 175.559 -1.953 1
1 451 . 10 1 1 A 42 42 ARG CA C 42 56.340 55.850 0.490 1
1 452 . 10 1 1 A 42 42 ARG CB C 42 29.930 32.120 -2.190 1
1 455 . 10 1 1 A 42 42 ARG N N 42 116.578 121.726 -5.148 1
1 456 . 10 1 1 A 43 43 GLU H H 43 7.452 7.833 -0.381 1
1 457 . 10 1 1 A 43 43 GLU HA H 43 5.413 5.253 0.160 1
1 462 . 10 1 1 A 43 43 GLU C C 43 174.192 174.359 -0.167 1
1 463 . 10 1 1 A 43 43 GLU CA C 43 55.100 55.918 -0.818 1
1 464 . 10 1 1 A 43 43 GLU CB C 43 34.110 33.246 0.864 1
1 466 . 10 1 1 A 43 43 GLU N N 43 116.369 118.438 -2.069 1
1 467 . 10 1 1 A 44 44 ILE H H 44 9.056 9.588 -0.532 1
1 468 . 10 1 1 A 44 44 ILE HA H 44 4.696 5.080 -0.384 1
1 478 . 10 1 1 A 44 44 ILE C C 44 173.831 174.458 -0.627 1
1 479 . 10 1 1 A 44 44 ILE CA C 44 58.070 59.777 -1.707 1
1 480 . 10 1 1 A 44 44 ILE CB C 44 41.140 41.260 -0.120 1
1 484 . 10 1 1 A 44 44 ILE N N 44 123.963 127.035 -3.072 1
1 485 . 10 1 1 A 45 45 VAL H H 45 8.740 9.053 -0.313 1
1 486 . 10 1 1 A 45 45 VAL HA H 45 4.850 4.908 -0.058 1
1 494 . 10 1 1 A 45 45 VAL C C 45 175.175 175.499 -0.324 1
1 495 . 10 1 1 A 45 45 VAL CA C 45 60.990 61.255 -0.265 1
1 496 . 10 1 1 A 45 45 VAL CB C 45 33.810 33.713 0.097 1
1 499 . 10 1 1 A 45 45 VAL N N 45 126.299 127.088 -0.789 1
1 500 . 10 1 1 A 46 46 ILE H H 46 9.367 9.426 -0.059 1
1 501 . 10 1 1 A 46 46 ILE HA H 46 4.830 4.785 0.045 1
1 511 . 10 1 1 A 46 46 ILE C C 46 175.433 174.912 0.521 1
1 512 . 10 1 1 A 46 46 ILE CA C 46 59.350 60.604 -1.254 1
1 513 . 10 1 1 A 46 46 ILE CB C 46 39.410 40.837 -1.427 1
1 517 . 10 1 1 A 46 46 ILE N N 46 126.797 127.181 -0.384 1
1 518 . 10 1 1 A 47 47 ALA H H 47 9.173 8.953 0.220 1
1 519 . 10 1 1 A 47 47 ALA HA H 47 4.790 5.149 -0.359 1
1 523 . 10 1 1 A 47 47 ALA C C 47 175.394 176.830 -1.436 1
1 524 . 10 1 1 A 47 47 ALA CA C 47 51.500 51.410 0.090 1
1 525 . 10 1 1 A 47 47 ALA CB C 47 19.020 20.699 -1.679 1
1 526 . 10 1 1 A 47 47 ALA N N 47 131.668 131.513 0.155 1
1 527 . 10 1 1 A 48 48 HIS H H 48 8.473 8.825 -0.352 1
1 528 . 10 1 1 A 48 48 HIS HA H 48 5.394 4.849 0.545 1
1 533 . 10 1 1 A 48 48 HIS C C 48 175.182 175.183 -0.001 1
1 534 . 10 1 1 A 48 48 HIS CA C 48 54.520 55.473 -0.953 1
1 535 . 10 1 1 A 48 48 HIS CB C 48 33.190 31.227 1.963 1
1 538 . 10 1 1 A 48 48 HIS N N 48 126.144 123.003 3.141 1
1 539 . 10 1 1 A 49 49 GLY H H 49 8.847 8.873 -0.026 1
1 540 . 10 1 1 A 49 49 GLY HA2 H 49 3.795 3.663 0.132 1
1 541 . 10 1 1 A 49 49 GLY HA3 H 49 3.549 3.679 -0.130 1
1 542 . 10 1 1 A 49 49 GLY CA C 49 46.950 47.204 -0.254 1
1 543 . 10 1 1 A 49 49 GLY N N 49 117.318 115.797 1.521 1
1 544 . 10 1 1 A 50 50 ASP HA H 50 4.639 4.648 -0.009 1
1 547 . 10 1 1 A 50 50 ASP C C 50 175.825 175.898 -0.073 1
1 548 . 10 1 1 A 50 50 ASP CA C 50 55.070 55.361 -0.291 1
1 549 . 10 1 1 A 50 50 ASP CB C 50 31.070 41.848 -10.778 1
1 550 . 10 1 1 A 51 51 ASP H H 51 8.166 7.744 0.422 1
1 551 . 10 1 1 A 51 51 ASP HA H 51 4.810 4.577 0.233 1
1 554 . 10 1 1 A 51 51 ASP C C 51 176.635 175.788 0.847 1
1 555 . 10 1 1 A 51 51 ASP CA C 51 53.950 54.378 -0.428 1
1 556 . 10 1 1 A 51 51 ASP CB C 51 43.250 41.571 1.679 1
1 557 . 10 1 1 A 51 51 ASP N N 51 120.310 119.629 0.681 1
1 558 . 10 1 1 A 52 52 ARG H H 52 8.784 8.561 0.223 1
1 559 . 10 1 1 A 52 52 ARG HA H 52 4.970 5.080 -0.110 1
1 566 . 10 1 1 A 52 52 ARG C C 52 174.757 174.733 0.024 1
1 567 . 10 1 1 A 52 52 ARG CA C 52 54.250 54.861 -0.611 1
1 568 . 10 1 1 A 52 52 ARG CB C 52 31.440 31.960 -0.520 1
1 571 . 10 1 1 A 52 52 ARG N N 52 123.348 124.658 -1.310 1
1 572 . 10 1 1 A 53 53 TYR H H 53 8.850 9.418 -0.568 1
1 573 . 10 1 1 A 53 53 TYR HA H 53 4.806 5.062 -0.256 1
1 580 . 10 1 1 A 53 53 TYR C C 53 174.989 175.348 -0.359 1
1 581 . 10 1 1 A 53 53 TYR CA C 53 56.850 57.249 -0.399 1
1 582 . 10 1 1 A 53 53 TYR CB C 53 41.480 41.105 0.375 1
1 585 . 10 1 1 A 53 53 TYR N N 53 122.391 123.823 -1.432 1
1 586 . 10 1 1 A 54 54 ARG H H 54 9.387 9.069 0.318 1
1 587 . 10 1 1 A 54 54 ARG HA H 54 4.936 5.275 -0.339 1
1 594 . 10 1 1 A 54 54 ARG C C 54 174.076 174.548 -0.472 1
1 595 . 10 1 1 A 54 54 ARG CA C 54 55.100 54.853 0.247 1
1 596 . 10 1 1 A 54 54 ARG CB C 54 31.750 32.471 -0.721 1
1 599 . 10 1 1 A 54 54 ARG N N 54 120.797 121.414 -0.617 1
1 600 . 10 1 1 A 55 55 LEU H H 55 9.271 9.033 0.238 1
1 601 . 10 1 1 A 55 55 LEU HA H 55 5.237 5.187 0.050 1
1 611 . 10 1 1 A 55 55 LEU C C 55 174.841 175.674 -0.833 1
1 612 . 10 1 1 A 55 55 LEU CA C 55 53.590 54.463 -0.873 1
1 613 . 10 1 1 A 55 55 LEU CB C 55 43.470 43.477 -0.007 1
1 617 . 10 1 1 A 55 55 LEU N N 55 128.735 127.756 0.979 1
1 618 . 10 1 1 A 56 56 ARG H H 56 9.000 9.271 -0.271 1
1 619 . 10 1 1 A 56 56 ARG HA H 56 5.110 5.128 -0.018 1
1 626 . 10 1 1 A 56 56 ARG C C 56 173.413 173.412 0.001 1
1 627 . 10 1 1 A 56 56 ARG CA C 56 54.440 54.214 0.226 1
1 628 . 10 1 1 A 56 56 ARG CB C 56 34.540 33.871 0.669 1
1 631 . 10 1 1 A 56 56 ARG N N 56 125.280 128.471 -3.191 1
1 632 . 10 1 1 A 57 57 LEU H H 57 7.631 8.353 -0.722 1
1 633 . 10 1 1 A 57 57 LEU HA H 57 4.667 4.722 -0.055 1
1 643 . 10 1 1 A 57 57 LEU C C 57 177.709 176.475 1.234 1
1 644 . 10 1 1 A 57 57 LEU CA C 57 52.710 53.012 -0.302 1
1 645 . 10 1 1 A 57 57 LEU CB C 57 42.480 44.150 -1.670 1
1 649 . 10 1 1 A 57 57 LEU N N 57 122.967 127.345 -4.378 1
1 650 . 10 1 1 A 58 58 THR H H 58 9.001 8.961 0.040 1
1 651 . 10 1 1 A 58 58 THR HA H 58 4.508 4.606 -0.098 1
1 656 . 10 1 1 A 58 58 THR CA C 58 60.440 60.639 -0.199 1
1 657 . 10 1 1 A 58 58 THR CB C 58 71.960 71.719 0.241 1
1 659 . 10 1 1 A 58 58 THR N N 58 116.533 116.599 -0.066 1
1 660 . 10 1 1 A 60 60 GLN HA H 60 4.433 4.197 0.236 1
1 665 . 10 1 1 A 60 60 GLN C C 60 174.738 176.730 -1.992 1
1 666 . 10 1 1 A 60 60 GLN CA C 60 55.280 57.372 -2.092 1
1 667 . 10 1 1 A 60 60 GLN CB C 60 28.190 28.540 -0.350 1
1 669 . 10 1 1 A 61 61 ASN H H 61 8.333 8.415 -0.082 1
1 670 . 10 1 1 A 61 61 ASN HA H 61 4.262 4.406 -0.144 1
1 675 . 10 1 1 A 61 61 ASN C C 61 174.725 175.730 -1.005 1
1 676 . 10 1 1 A 61 61 ASN CA C 61 54.130 56.315 -2.185 1
1 677 . 10 1 1 A 61 61 ASN CB C 61 37.560 38.670 -1.110 1
1 678 . 10 1 1 A 61 61 ASN N N 61 116.480 116.942 -0.462 1
1 680 . 10 1 1 A 62 62 LYS H H 62 7.111 7.837 -0.726 1
1 681 . 10 1 1 A 62 62 LYS HA H 62 4.520 4.591 -0.071 1
1 690 . 10 1 1 A 62 62 LYS C C 62 174.057 174.003 0.054 1
1 691 . 10 1 1 A 62 62 LYS CA C 62 53.930 55.014 -1.084 1
1 692 . 10 1 1 A 62 62 LYS CB C 62 34.060 33.686 0.374 1
1 696 . 10 1 1 A 62 62 LYS N N 62 116.535 112.861 3.674 1
1 697 . 10 1 1 A 63 63 LEU H H 63 6.706 8.534 -1.828 1
1 698 . 10 1 1 A 63 63 LEU HA H 63 5.093 5.306 -0.213 1
1 708 . 10 1 1 A 63 63 LEU C C 63 175.503 174.996 0.507 1
1 709 . 10 1 1 A 63 63 LEU CA C 63 53.330 52.752 0.578 1
1 710 . 10 1 1 A 63 63 LEU CB C 63 43.280 46.370 -3.090 1
1 714 . 10 1 1 A 63 63 LEU N N 63 119.236 114.126 5.110 1
1 715 . 10 1 1 A 64 64 ILE H H 64 8.471 8.910 -0.439 1
1 716 . 10 1 1 A 64 64 ILE HA H 64 4.429 4.995 -0.566 1
1 726 . 10 1 1 A 64 64 ILE C C 64 172.642 173.609 -0.967 1
1 727 . 10 1 1 A 64 64 ILE CA C 64 59.520 58.909 0.611 1
1 728 . 10 1 1 A 64 64 ILE CB C 64 42.740 42.398 0.342 1
1 732 . 10 1 1 A 64 64 ILE N N 64 116.258 114.084 2.174 1
1 733 . 10 1 1 A 65 65 LEU H H 65 8.429 8.862 -0.433 1
1 734 . 10 1 1 A 65 65 LEU HA H 65 5.543 5.432 0.111 1
1 744 . 10 1 1 A 65 65 LEU C C 65 176.050 174.528 1.522 1
1 745 . 10 1 1 A 65 65 LEU CA C 65 53.230 53.534 -0.304 1
1 746 . 10 1 1 A 65 65 LEU CB C 65 46.610 44.771 1.839 1
1 750 . 10 1 1 A 65 65 LEU N N 65 125.259 124.004 1.255 1
1 751 . 10 1 1 A 66 66 THR H H 66 9.302 9.158 0.144 1
1 752 . 10 1 1 A 66 66 THR HA H 66 4.905 5.239 -0.334 1
1 757 . 10 1 1 A 66 66 THR C C 66 172.436 172.461 -0.025 1
1 758 . 10 1 1 A 66 66 THR CA C 66 59.850 59.477 0.373 1
1 759 . 10 1 1 A 66 66 THR CB C 66 71.650 72.465 -0.815 1
1 761 . 10 1 1 A 66 66 THR N N 66 121.417 120.757 0.660 1
1 7 . 11 1 1 A 2 2 MET H H 2 8.334 7.788 0.546 1
1 8 . 11 1 1 A 2 2 MET HA H 2 4.432 5.126 -0.694 1
1 16 . 11 1 1 A 2 2 MET C C 2 176.391 174.320 2.071 1
1 17 . 11 1 1 A 2 2 MET CA C 2 55.880 53.515 2.365 1
1 18 . 11 1 1 A 2 2 MET CB C 2 32.400 35.986 -3.586 1
1 21 . 11 1 1 A 2 2 MET N N 2 121.118 116.469 4.649 1
1 22 . 11 1 1 A 3 3 THR H H 3 8.177 8.711 -0.534 1
1 23 . 11 1 1 A 3 3 THR HA H 3 4.338 4.957 -0.619 1
1 28 . 11 1 1 A 3 3 THR C C 3 174.455 172.362 2.093 1
1 29 . 11 1 1 A 3 3 THR CA C 3 61.410 60.004 1.406 1
1 30 . 11 1 1 A 3 3 THR CB C 3 69.710 71.587 -1.877 1
1 32 . 11 1 1 A 3 3 THR N N 3 115.029 113.940 1.089 1
1 33 . 11 1 1 A 4 4 ALA H H 4 8.429 8.471 -0.042 1
1 34 . 11 1 1 A 4 4 ALA HA H 4 4.303 4.322 -0.019 1
1 38 . 11 1 1 A 4 4 ALA C C 4 178.127 177.138 0.989 1
1 39 . 11 1 1 A 4 4 ALA CA C 4 52.580 51.619 0.961 1
1 40 . 11 1 1 A 4 4 ALA CB C 4 19.370 17.483 1.887 1
1 41 . 11 1 1 A 4 4 ALA N N 4 126.222 128.812 -2.590 1
1 42 . 11 1 1 A 5 5 SER H H 5 8.257 8.410 -0.153 1
1 43 . 11 1 1 A 5 5 SER HA H 5 4.352 4.587 -0.235 1
1 46 . 11 1 1 A 5 5 SER C C 5 174.687 173.355 1.332 1
1 47 . 11 1 1 A 5 5 SER CA C 5 58.790 57.991 0.799 1
1 48 . 11 1 1 A 5 5 SER CB C 5 63.720 62.797 0.923 1
1 49 . 11 1 1 A 5 5 SER N N 5 114.762 115.765 -1.003 1
1 50 . 11 1 1 A 6 6 ASP H H 6 8.186 8.467 -0.281 1
1 51 . 11 1 1 A 6 6 ASP HA H 6 4.547 5.043 -0.496 1
1 54 . 11 1 1 A 6 6 ASP C C 6 176.423 175.820 0.603 1
1 55 . 11 1 1 A 6 6 ASP CA C 6 54.760 53.073 1.687 1
1 56 . 11 1 1 A 6 6 ASP CB C 6 41.110 42.842 -1.732 1
1 57 . 11 1 1 A 6 6 ASP N N 6 122.104 126.570 -4.466 1
1 58 . 11 1 1 A 7 7 ARG H H 7 8.063 8.760 -0.697 1
1 59 . 11 1 1 A 7 7 ARG HA H 7 4.276 4.649 -0.373 1
1 66 . 11 1 1 A 7 7 ARG C C 7 176.455 175.885 0.570 1
1 67 . 11 1 1 A 7 7 ARG CA C 7 56.310 55.102 1.208 1
1 68 . 11 1 1 A 7 7 ARG CB C 7 30.470 30.252 0.218 1
1 71 . 11 1 1 A 7 7 ARG N N 7 120.343 124.758 -4.415 1
1 72 . 11 1 1 A 8 8 LEU H H 8 8.157 7.515 0.642 1
1 73 . 11 1 1 A 8 8 LEU HA H 8 4.288 4.377 -0.089 1
1 83 . 11 1 1 A 8 8 LEU C C 8 177.940 176.744 1.196 1
1 84 . 11 1 1 A 8 8 LEU CA C 8 55.630 54.626 1.004 1
1 85 . 11 1 1 A 8 8 LEU CB C 8 42.540 42.915 -0.375 1
1 89 . 11 1 1 A 8 8 LEU N N 8 122.546 121.910 0.636 1
1 90 . 11 1 1 A 9 9 GLY H H 9 8.290 8.207 0.083 1
1 91 . 11 1 1 A 9 9 GLY HA2 H 9 3.896 4.116 -0.220 1
1 92 . 11 1 1 A 9 9 GLY HA3 H 9 3.896 4.116 -0.220 1
1 93 . 11 1 1 A 9 9 GLY C C 9 173.664 172.222 1.442 1
1 94 . 11 1 1 A 9 9 GLY CA C 9 45.320 45.724 -0.404 1
1 95 . 11 1 1 A 9 9 GLY N N 9 109.549 108.810 0.739 1
1 96 . 11 1 1 A 10 10 ALA H H 10 7.980 8.183 -0.203 1
1 97 . 11 1 1 A 10 10 ALA HA H 10 4.276 4.311 -0.035 1
1 101 . 11 1 1 A 10 10 ALA C C 10 177.182 176.630 0.552 1
1 102 . 11 1 1 A 10 10 ALA CA C 10 52.130 52.549 -0.419 1
1 103 . 11 1 1 A 10 10 ALA CB C 10 19.460 19.362 0.098 1
1 104 . 11 1 1 A 10 10 ALA N N 10 123.266 123.911 -0.645 1
1 105 . 11 1 1 A 11 11 ASP H H 11 8.292 8.567 -0.275 1
1 106 . 11 1 1 A 11 11 ASP HA H 11 4.840 4.740 0.100 1
1 109 . 11 1 1 A 11 11 ASP CA C 11 51.950 51.250 0.700 1
1 110 . 11 1 1 A 11 11 ASP CB C 11 41.320 41.816 -0.496 1
1 111 . 11 1 1 A 11 11 ASP N N 11 120.930 122.695 -1.765 1
1 112 . 11 1 1 A 12 12 PRO HA H 12 4.450 4.395 0.055 1
1 119 . 11 1 1 A 12 12 PRO C C 12 177.670 176.755 0.915 1
1 120 . 11 1 1 A 12 12 PRO CA C 12 63.940 63.284 0.656 1
1 121 . 11 1 1 A 12 12 PRO CB C 12 32.180 31.597 0.583 1
1 124 . 11 1 1 A 13 13 THR H H 13 8.304 8.306 -0.002 1
1 125 . 11 1 1 A 13 13 THR HA H 13 4.234 4.533 -0.299 1
1 130 . 11 1 1 A 13 13 THR C C 13 175.085 173.786 1.299 1
1 131 . 11 1 1 A 13 13 THR CA C 13 62.770 61.160 1.610 1
1 132 . 11 1 1 A 13 13 THR CB C 13 69.509 68.996 0.513 1
1 134 . 11 1 1 A 13 13 THR N N 13 112.749 112.926 -0.177 1
1 135 . 11 1 1 A 14 14 GLN H H 14 7.963 8.817 -0.854 1
1 136 . 11 1 1 A 14 14 GLN HA H 14 4.282 4.717 -0.435 1
1 141 . 11 1 1 A 14 14 GLN C C 14 175.773 174.830 0.943 1
1 142 . 11 1 1 A 14 14 GLN CA C 14 55.770 55.788 -0.018 1
1 143 . 11 1 1 A 14 14 GLN CB C 14 29.440 29.121 0.319 1
1 145 . 11 1 1 A 14 14 GLN N N 14 121.849 127.017 -5.168 1
1 146 . 11 1 1 A 15 15 ALA H H 15 8.150 8.504 -0.354 1
1 147 . 11 1 1 A 15 15 ALA HA H 15 4.237 5.141 -0.904 1
1 151 . 11 1 1 A 15 15 ALA C C 15 177.587 175.720 1.867 1
1 152 . 11 1 1 A 15 15 ALA CA C 15 52.750 50.761 1.989 1
1 153 . 11 1 1 A 15 15 ALA CB C 15 19.180 21.949 -2.769 1
1 154 . 11 1 1 A 15 15 ALA N N 15 125.125 127.275 -2.150 1
1 155 . 11 1 1 A 16 16 ALA H H 16 8.234 8.570 -0.336 1
1 156 . 11 1 1 A 16 16 ALA HA H 16 4.291 4.532 -0.241 1
1 160 . 11 1 1 A 16 16 ALA C C 16 177.741 176.906 0.835 1
1 161 . 11 1 1 A 16 16 ALA CA C 16 52.410 51.840 0.570 1
1 162 . 11 1 1 A 16 16 ALA CB C 16 19.130 19.270 -0.140 1
1 163 . 11 1 1 A 16 16 ALA N N 16 123.189 125.532 -2.343 1
1 164 . 11 1 1 A 17 17 SER H H 17 8.162 8.742 -0.580 1
1 165 . 11 1 1 A 17 17 SER HA H 17 4.431 4.628 -0.197 1
1 168 . 11 1 1 A 17 17 SER CA C 17 58.160 57.810 0.350 1
1 169 . 11 1 1 A 17 17 SER CB C 17 64.030 62.301 1.729 1
1 170 . 11 1 1 A 17 17 SER N N 17 114.762 117.911 -3.149 1
1 171 . 11 1 1 A 18 18 SER H H 18 8.246 8.389 -0.143 1
1 172 . 11 1 1 A 18 18 SER HA H 18 4.747 4.605 0.142 1
1 173 . 11 1 1 A 18 18 SER CA C 18 58.640 56.532 2.108 1
1 174 . 11 1 1 A 18 18 SER N N 18 118.482 118.429 0.053 1
1 175 . 11 1 1 A 19 19 PRO HA H 19 4.426 4.452 -0.026 1
1 182 . 11 1 1 A 19 19 PRO CA C 19 63.790 63.664 0.126 1
1 183 . 11 1 1 A 19 19 PRO CB C 19 32.220 32.243 -0.023 1
1 186 . 11 1 1 A 20 20 GLY H H 20 8.452 8.100 0.352 1
1 187 . 11 1 1 A 20 20 GLY HA2 H 20 3.938 3.936 0.002 1
1 188 . 11 1 1 A 20 20 GLY HA3 H 20 3.938 3.938 0.000 1
1 189 . 11 1 1 A 20 20 GLY C C 20 174.674 173.420 1.254 1
1 190 . 11 1 1 A 20 20 GLY CA C 20 45.330 46.487 -1.157 1
1 191 . 11 1 1 A 20 20 GLY N N 20 109.329 109.120 0.209 1
1 192 . 11 1 1 A 21 21 GLY H H 21 8.217 8.167 0.050 1
1 193 . 11 1 1 A 21 21 GLY HA2 H 21 3.946 4.165 -0.219 1
1 194 . 11 1 1 A 21 21 GLY HA3 H 21 3.946 4.166 -0.220 1
1 195 . 11 1 1 A 21 21 GLY C C 21 173.555 171.727 1.828 1
1 196 . 11 1 1 A 21 21 GLY CA C 21 45.390 45.927 -0.537 1
1 197 . 11 1 1 A 21 21 GLY N N 21 108.749 109.412 -0.663 1
1 198 . 11 1 1 A 22 22 ALA H H 22 8.147 8.246 -0.099 1
1 199 . 11 1 1 A 22 22 ALA HA H 22 4.866 5.360 -0.494 1
1 203 . 11 1 1 A 22 22 ALA C C 22 176.931 175.913 1.018 1
1 204 . 11 1 1 A 22 22 ALA CA C 22 51.910 50.310 1.600 1
1 205 . 11 1 1 A 22 22 ALA CB C 22 20.490 22.247 -1.757 1
1 206 . 11 1 1 A 22 22 ALA N N 22 124.041 122.707 1.334 1
1 207 . 11 1 1 A 23 23 ARG H H 23 8.699 8.961 -0.262 1
1 208 . 11 1 1 A 23 23 ARG HA H 23 4.641 4.967 -0.326 1
1 215 . 11 1 1 A 23 23 ARG C C 23 173.587 173.947 -0.360 1
1 216 . 11 1 1 A 23 23 ARG CA C 23 55.000 54.111 0.889 1
1 217 . 11 1 1 A 23 23 ARG CB C 23 32.420 34.106 -1.686 1
1 220 . 11 1 1 A 23 23 ARG N N 23 120.753 119.022 1.731 1
1 221 . 11 1 1 A 24 24 ALA H H 24 8.408 8.875 -0.467 1
1 222 . 11 1 1 A 24 24 ALA HA H 24 5.145 5.162 -0.017 1
1 226 . 11 1 1 A 24 24 ALA C C 24 177.092 176.324 0.768 1
1 227 . 11 1 1 A 24 24 ALA CA C 24 51.160 50.287 0.873 1
1 228 . 11 1 1 A 24 24 ALA CB C 24 21.490 20.898 0.592 1
1 229 . 11 1 1 A 24 24 ALA N N 24 124.606 122.667 1.939 1
1 230 . 11 1 1 A 25 25 VAL H H 25 8.842 8.685 0.157 1
1 231 . 11 1 1 A 25 25 VAL HA H 25 4.411 4.824 -0.413 1
1 239 . 11 1 1 A 25 25 VAL C C 25 174.558 175.258 -0.700 1
1 240 . 11 1 1 A 25 25 VAL CA C 25 60.160 60.178 -0.018 1
1 241 . 11 1 1 A 25 25 VAL CB C 25 34.450 33.407 1.043 1
1 244 . 11 1 1 A 25 25 VAL N N 25 120.299 120.200 0.099 1
1 245 . 11 1 1 A 26 26 SER H H 26 8.744 8.660 0.084 1
1 246 . 11 1 1 A 26 26 SER HA H 26 4.747 5.106 -0.359 1
1 249 . 11 1 1 A 26 26 SER C C 26 173.304 172.960 0.344 1
1 250 . 11 1 1 A 26 26 SER CA C 26 58.720 57.604 1.116 1
1 251 . 11 1 1 A 26 26 SER CB C 26 63.910 65.224 -1.314 1
1 252 . 11 1 1 A 26 26 SER N N 26 121.229 120.474 0.755 1
1 253 . 11 1 1 A 27 27 ILE H H 27 8.716 8.974 -0.258 1
1 254 . 11 1 1 A 27 27 ILE HA H 27 4.360 4.989 -0.629 1
1 264 . 11 1 1 A 27 27 ILE C C 27 175.478 174.519 0.959 1
1 265 . 11 1 1 A 27 27 ILE CA C 27 60.670 60.347 0.323 1
1 266 . 11 1 1 A 27 27 ILE CB C 27 39.210 40.377 -1.167 1
1 270 . 11 1 1 A 27 27 ILE N N 27 124.450 123.213 1.237 1
1 271 . 11 1 1 A 28 28 VAL H H 28 8.426 8.749 -0.323 1
1 272 . 11 1 1 A 28 28 VAL HA H 28 4.298 4.694 -0.396 1
1 280 . 11 1 1 A 28 28 VAL CA C 28 61.850 61.098 0.752 1
1 281 . 11 1 1 A 28 28 VAL CB C 28 32.790 32.428 0.362 1
1 284 . 11 1 1 A 28 28 VAL N N 28 128.723 124.594 4.129 1
1 285 . 11 1 1 A 29 29 GLY H H 29 8.953 8.901 0.052 1
1 286 . 11 1 1 A 29 29 GLY HA2 H 29 3.988 3.885 0.103 1
1 287 . 11 1 1 A 29 29 GLY HA3 H 29 3.725 3.885 -0.160 1
1 288 . 11 1 1 A 29 29 GLY C C 29 176.487 174.294 2.193 1
1 289 . 11 1 1 A 29 29 GLY CA C 29 47.610 47.105 0.505 1
1 290 . 11 1 1 A 29 29 GLY N N 29 120.095 115.331 4.764 1
1 291 . 11 1 1 A 30 30 ASN H H 30 8.566 8.022 0.544 1
1 292 . 11 1 1 A 30 30 ASN HA H 30 4.422 4.957 -0.535 1
1 297 . 11 1 1 A 30 30 ASN C C 30 172.841 174.412 -1.571 1
1 298 . 11 1 1 A 30 30 ASN CA C 30 53.100 52.376 0.724 1
1 299 . 11 1 1 A 30 30 ASN CB C 30 38.630 39.543 -0.913 1
1 300 . 11 1 1 A 30 30 ASN N N 30 120.808 118.616 2.192 1
1 302 . 11 1 1 A 31 31 GLN H H 31 7.713 7.430 0.283 1
1 303 . 11 1 1 A 31 31 GLN HA H 31 5.672 4.960 0.712 1
1 310 . 11 1 1 A 31 31 GLN C C 31 174.828 174.055 0.773 1
1 311 . 11 1 1 A 31 31 GLN CA C 31 54.730 54.312 0.418 1
1 312 . 11 1 1 A 31 31 GLN CB C 31 32.800 32.135 0.665 1
1 314 . 11 1 1 A 31 31 GLN N N 31 118.262 120.201 -1.939 1
1 316 . 11 1 1 A 32 32 ILE H H 32 9.113 8.753 0.360 1
1 317 . 11 1 1 A 32 32 ILE HA H 32 4.454 4.730 -0.276 1
1 327 . 11 1 1 A 32 32 ILE C C 32 173.439 172.801 0.638 1
1 328 . 11 1 1 A 32 32 ILE CA C 32 59.610 59.201 0.409 1
1 329 . 11 1 1 A 32 32 ILE CB C 32 42.350 41.526 0.824 1
1 333 . 11 1 1 A 32 32 ILE N N 32 124.849 122.799 2.050 1
1 334 . 11 1 1 A 33 33 ASP H H 33 9.066 8.740 0.326 1
1 335 . 11 1 1 A 33 33 ASP HA H 33 5.077 4.876 0.201 1
1 338 . 11 1 1 A 33 33 ASP C C 33 178.378 176.392 1.986 1
1 339 . 11 1 1 A 33 33 ASP CA C 33 53.460 53.243 0.217 1
1 340 . 11 1 1 A 33 33 ASP CB C 33 43.180 42.098 1.082 1
1 341 . 11 1 1 A 33 33 ASP N N 33 127.594 128.205 -0.611 1
1 342 . 11 1 1 A 34 34 SER H H 34 9.524 9.186 0.338 1
1 343 . 11 1 1 A 34 34 SER HA H 34 3.902 4.125 -0.223 1
1 346 . 11 1 1 A 34 34 SER C C 34 175.876 176.695 -0.819 1
1 347 . 11 1 1 A 34 34 SER CA C 34 61.980 61.557 0.423 1
1 348 . 11 1 1 A 34 34 SER CB C 34 61.510 63.128 -1.618 1
1 349 . 11 1 1 A 34 34 SER N N 34 125.026 121.723 3.303 1
1 350 . 11 1 1 A 35 35 ARG H H 35 9.022 7.792 1.230 1
1 351 . 11 1 1 A 35 35 ARG HA H 35 4.235 4.062 0.173 1
1 358 . 11 1 1 A 35 35 ARG C C 35 178.661 178.673 -0.012 1
1 359 . 11 1 1 A 35 35 ARG CA C 35 58.840 59.611 -0.771 1
1 360 . 11 1 1 A 35 35 ARG CB C 35 29.970 29.742 0.228 1
1 363 . 11 1 1 A 35 35 ARG N N 35 122.601 121.675 0.926 1
1 364 . 11 1 1 A 36 36 GLU H H 36 7.689 7.963 -0.274 1
1 365 . 11 1 1 A 36 36 GLU HA H 36 4.202 4.014 0.188 1
1 370 . 11 1 1 A 36 36 GLU C C 36 177.285 179.321 -2.036 1
1 371 . 11 1 1 A 36 36 GLU CA C 36 57.340 59.078 -1.738 1
1 372 . 11 1 1 A 36 36 GLU CB C 36 30.910 29.392 1.518 1
1 374 . 11 1 1 A 36 36 GLU N N 36 115.420 119.039 -3.619 1
1 375 . 11 1 1 A 37 37 LEU H H 37 7.280 7.751 -0.471 1
1 376 . 11 1 1 A 37 37 LEU HA H 37 3.805 3.944 -0.139 1
1 386 . 11 1 1 A 37 37 LEU C C 37 176.410 178.354 -1.944 1
1 387 . 11 1 1 A 37 37 LEU CA C 37 56.790 57.730 -0.940 1
1 388 . 11 1 1 A 37 37 LEU CB C 37 42.510 41.773 0.737 1
1 392 . 11 1 1 A 37 37 LEU N N 37 117.043 120.224 -3.181 1
1 393 . 11 1 1 A 38 38 PHE H H 38 7.431 8.127 -0.696 1
1 394 . 11 1 1 A 38 38 PHE HA H 38 4.884 4.656 0.228 1
1 402 . 11 1 1 A 38 38 PHE C C 38 176.018 177.311 -1.293 1
1 403 . 11 1 1 A 38 38 PHE CA C 38 57.320 59.797 -2.477 1
1 404 . 11 1 1 A 38 38 PHE CB C 38 38.500 37.800 0.700 1
1 408 . 11 1 1 A 38 38 PHE N N 38 115.439 115.620 -0.181 1
1 409 . 11 1 1 A 39 39 THR H H 39 7.632 7.986 -0.354 1
1 410 . 11 1 1 A 39 39 THR HA H 39 4.256 4.145 0.111 1
1 415 . 11 1 1 A 39 39 THR C C 39 175.986 176.416 -0.430 1
1 416 . 11 1 1 A 39 39 THR CA C 39 62.630 64.162 -1.532 1
1 417 . 11 1 1 A 39 39 THR CB C 39 69.240 68.900 0.340 1
1 419 . 11 1 1 A 39 39 THR N N 39 112.395 114.734 -2.339 1
1 420 . 11 1 1 A 40 40 VAL H H 40 8.246 7.462 0.784 1
1 421 . 11 1 1 A 40 40 VAL HA H 40 4.121 3.886 0.235 1
1 429 . 11 1 1 A 40 40 VAL C C 40 175.233 175.477 -0.244 1
1 430 . 11 1 1 A 40 40 VAL CA C 40 63.340 64.631 -1.291 1
1 431 . 11 1 1 A 40 40 VAL CB C 40 32.870 32.337 0.533 1
1 434 . 11 1 1 A 40 40 VAL N N 40 118.329 118.956 -0.627 1
1 435 . 11 1 1 A 41 41 ASP H H 41 8.048 7.843 0.205 1
1 436 . 11 1 1 A 41 41 ASP HA H 41 4.792 4.859 -0.067 1
1 439 . 11 1 1 A 41 41 ASP CA C 41 53.950 53.367 0.583 1
1 440 . 11 1 1 A 41 41 ASP CB C 41 43.630 43.877 -0.247 1
1 441 . 11 1 1 A 41 41 ASP N N 41 120.465 116.241 4.224 1
1 442 . 11 1 1 A 42 42 ARG H H 42 8.639 8.850 -0.211 1
1 443 . 11 1 1 A 42 42 ARG HA H 42 4.157 4.211 -0.054 1
1 450 . 11 1 1 A 42 42 ARG C C 42 173.606 175.615 -2.009 1
1 451 . 11 1 1 A 42 42 ARG CA C 42 56.340 58.249 -1.909 1
1 452 . 11 1 1 A 42 42 ARG CB C 42 29.930 30.595 -0.665 1
1 455 . 11 1 1 A 42 42 ARG N N 42 116.578 123.688 -7.110 1
1 456 . 11 1 1 A 43 43 GLU H H 43 7.452 7.560 -0.108 1
1 457 . 11 1 1 A 43 43 GLU HA H 43 5.413 5.217 0.196 1
1 462 . 11 1 1 A 43 43 GLU C C 43 174.192 174.404 -0.212 1
1 463 . 11 1 1 A 43 43 GLU CA C 43 55.100 55.431 -0.331 1
1 464 . 11 1 1 A 43 43 GLU CB C 43 34.110 33.375 0.735 1
1 466 . 11 1 1 A 43 43 GLU N N 43 116.369 118.214 -1.845 1
1 467 . 11 1 1 A 44 44 ILE H H 44 9.056 9.519 -0.463 1
1 468 . 11 1 1 A 44 44 ILE HA H 44 4.696 4.965 -0.269 1
1 478 . 11 1 1 A 44 44 ILE C C 44 173.831 174.668 -0.837 1
1 479 . 11 1 1 A 44 44 ILE CA C 44 58.070 59.735 -1.665 1
1 480 . 11 1 1 A 44 44 ILE CB C 44 41.140 40.998 0.142 1
1 484 . 11 1 1 A 44 44 ILE N N 44 123.963 126.929 -2.966 1
1 485 . 11 1 1 A 45 45 VAL H H 45 8.740 9.000 -0.260 1
1 486 . 11 1 1 A 45 45 VAL HA H 45 4.850 4.780 0.070 1
1 494 . 11 1 1 A 45 45 VAL C C 45 175.175 175.380 -0.205 1
1 495 . 11 1 1 A 45 45 VAL CA C 45 60.990 61.258 -0.268 1
1 496 . 11 1 1 A 45 45 VAL CB C 45 33.810 33.622 0.188 1
1 499 . 11 1 1 A 45 45 VAL N N 45 126.299 127.815 -1.516 1
1 500 . 11 1 1 A 46 46 ILE H H 46 9.367 9.281 0.086 1
1 501 . 11 1 1 A 46 46 ILE HA H 46 4.830 4.766 0.064 1
1 511 . 11 1 1 A 46 46 ILE C C 46 175.433 174.909 0.524 1
1 512 . 11 1 1 A 46 46 ILE CA C 46 59.350 60.623 -1.273 1
1 513 . 11 1 1 A 46 46 ILE CB C 46 39.410 40.433 -1.023 1
1 517 . 11 1 1 A 46 46 ILE N N 46 126.797 127.078 -0.281 1
1 518 . 11 1 1 A 47 47 ALA H H 47 9.173 8.892 0.281 1
1 519 . 11 1 1 A 47 47 ALA HA H 47 4.790 4.963 -0.173 1
1 523 . 11 1 1 A 47 47 ALA C C 47 175.394 176.860 -1.466 1
1 524 . 11 1 1 A 47 47 ALA CA C 47 51.500 51.773 -0.273 1
1 525 . 11 1 1 A 47 47 ALA CB C 47 19.020 20.085 -1.065 1
1 526 . 11 1 1 A 47 47 ALA N N 47 131.668 131.247 0.421 1
1 527 . 11 1 1 A 48 48 HIS H H 48 8.473 9.077 -0.604 1
1 528 . 11 1 1 A 48 48 HIS HA H 48 5.394 4.896 0.498 1
1 533 . 11 1 1 A 48 48 HIS C C 48 175.182 175.174 0.008 1
1 534 . 11 1 1 A 48 48 HIS CA C 48 54.520 55.466 -0.946 1
1 535 . 11 1 1 A 48 48 HIS CB C 48 33.190 31.868 1.322 1
1 538 . 11 1 1 A 48 48 HIS N N 48 126.144 122.895 3.249 1
1 539 . 11 1 1 A 49 49 GLY H H 49 8.847 8.910 -0.063 1
1 540 . 11 1 1 A 49 49 GLY HA2 H 49 3.795 3.668 0.127 1
1 541 . 11 1 1 A 49 49 GLY HA3 H 49 3.549 3.694 -0.145 1
1 542 . 11 1 1 A 49 49 GLY CA C 49 46.950 47.168 -0.218 1
1 543 . 11 1 1 A 49 49 GLY N N 49 117.318 116.098 1.220 1
1 544 . 11 1 1 A 50 50 ASP HA H 50 4.639 4.654 -0.015 1
1 547 . 11 1 1 A 50 50 ASP C C 50 175.825 175.115 0.710 1
1 548 . 11 1 1 A 50 50 ASP CA C 50 55.070 54.094 0.976 1
1 549 . 11 1 1 A 50 50 ASP CB C 50 31.070 41.649 -10.579 1
1 550 . 11 1 1 A 51 51 ASP H H 51 8.166 7.307 0.859 1
1 551 . 11 1 1 A 51 51 ASP HA H 51 4.810 4.920 -0.110 1
1 554 . 11 1 1 A 51 51 ASP C C 51 176.635 174.735 1.900 1
1 555 . 11 1 1 A 51 51 ASP CA C 51 53.950 53.129 0.821 1
1 556 . 11 1 1 A 51 51 ASP CB C 51 43.250 43.422 -0.172 1
1 557 . 11 1 1 A 51 51 ASP N N 51 120.310 120.906 -0.596 1
1 558 . 11 1 1 A 52 52 ARG H H 52 8.784 8.432 0.352 1
1 559 . 11 1 1 A 52 52 ARG HA H 52 4.970 5.219 -0.249 1
1 566 . 11 1 1 A 52 52 ARG C C 52 174.757 174.713 0.044 1
1 567 . 11 1 1 A 52 52 ARG CA C 52 54.250 54.546 -0.296 1
1 568 . 11 1 1 A 52 52 ARG CB C 52 31.440 32.853 -1.413 1
1 571 . 11 1 1 A 52 52 ARG N N 52 123.348 122.229 1.119 1
1 572 . 11 1 1 A 53 53 TYR H H 53 8.850 9.482 -0.632 1
1 573 . 11 1 1 A 53 53 TYR HA H 53 4.806 5.168 -0.362 1
1 580 . 11 1 1 A 53 53 TYR C C 53 174.989 175.514 -0.525 1
1 581 . 11 1 1 A 53 53 TYR CA C 53 56.850 57.188 -0.338 1
1 582 . 11 1 1 A 53 53 TYR CB C 53 41.480 41.898 -0.418 1
1 585 . 11 1 1 A 53 53 TYR N N 53 122.391 123.058 -0.667 1
1 586 . 11 1 1 A 54 54 ARG H H 54 9.387 9.161 0.226 1
1 587 . 11 1 1 A 54 54 ARG HA H 54 4.936 5.252 -0.316 1
1 594 . 11 1 1 A 54 54 ARG C C 54 174.076 174.496 -0.420 1
1 595 . 11 1 1 A 54 54 ARG CA C 54 55.100 54.791 0.309 1
1 596 . 11 1 1 A 54 54 ARG CB C 54 31.750 32.520 -0.770 1
1 599 . 11 1 1 A 54 54 ARG N N 54 120.797 120.519 0.278 1
1 600 . 11 1 1 A 55 55 LEU H H 55 9.271 8.965 0.306 1
1 601 . 11 1 1 A 55 55 LEU HA H 55 5.237 5.190 0.047 1
1 611 . 11 1 1 A 55 55 LEU C C 55 174.841 175.620 -0.779 1
1 612 . 11 1 1 A 55 55 LEU CA C 55 53.590 54.383 -0.793 1
1 613 . 11 1 1 A 55 55 LEU CB C 55 43.470 43.677 -0.207 1
1 617 . 11 1 1 A 55 55 LEU N N 55 128.735 127.749 0.986 1
1 618 . 11 1 1 A 56 56 ARG H H 56 9.000 9.177 -0.177 1
1 619 . 11 1 1 A 56 56 ARG HA H 56 5.110 5.346 -0.236 1
1 626 . 11 1 1 A 56 56 ARG C C 56 173.413 173.559 -0.146 1
1 627 . 11 1 1 A 56 56 ARG CA C 56 54.440 54.293 0.147 1
1 628 . 11 1 1 A 56 56 ARG CB C 56 34.540 34.036 0.504 1
1 631 . 11 1 1 A 56 56 ARG N N 56 125.280 128.501 -3.221 1
1 632 . 11 1 1 A 57 57 LEU H H 57 7.631 8.345 -0.714 1
1 633 . 11 1 1 A 57 57 LEU HA H 57 4.667 4.620 0.047 1
1 643 . 11 1 1 A 57 57 LEU C C 57 177.709 176.748 0.961 1
1 644 . 11 1 1 A 57 57 LEU CA C 57 52.710 53.181 -0.471 1
1 645 . 11 1 1 A 57 57 LEU CB C 57 42.480 44.026 -1.546 1
1 649 . 11 1 1 A 57 57 LEU N N 57 122.967 127.230 -4.263 1
1 650 . 11 1 1 A 58 58 THR H H 58 9.001 8.802 0.199 1
1 651 . 11 1 1 A 58 58 THR HA H 58 4.508 4.665 -0.157 1
1 656 . 11 1 1 A 58 58 THR CA C 58 60.440 60.495 -0.055 1
1 657 . 11 1 1 A 58 58 THR CB C 58 71.960 71.839 0.121 1
1 659 . 11 1 1 A 58 58 THR N N 58 116.533 116.656 -0.123 1
1 660 . 11 1 1 A 60 60 GLN HA H 60 4.433 4.021 0.412 1
1 665 . 11 1 1 A 60 60 GLN C C 60 174.738 175.943 -1.205 1
1 666 . 11 1 1 A 60 60 GLN CA C 60 55.280 57.143 -1.863 1
1 667 . 11 1 1 A 60 60 GLN CB C 60 28.190 28.530 -0.340 1
1 669 . 11 1 1 A 61 61 ASN H H 61 8.333 7.903 0.430 1
1 670 . 11 1 1 A 61 61 ASN HA H 61 4.262 4.783 -0.521 1
1 675 . 11 1 1 A 61 61 ASN C C 61 174.725 174.844 -0.119 1
1 676 . 11 1 1 A 61 61 ASN CA C 61 54.130 54.876 -0.746 1
1 677 . 11 1 1 A 61 61 ASN CB C 61 37.560 39.792 -2.232 1
1 678 . 11 1 1 A 61 61 ASN N N 61 116.480 117.810 -1.330 1
1 680 . 11 1 1 A 62 62 LYS H H 62 7.111 7.991 -0.880 1
1 681 . 11 1 1 A 62 62 LYS HA H 62 4.520 4.572 -0.052 1
1 690 . 11 1 1 A 62 62 LYS C C 62 174.057 173.976 0.081 1
1 691 . 11 1 1 A 62 62 LYS CA C 62 53.930 54.998 -1.068 1
1 692 . 11 1 1 A 62 62 LYS CB C 62 34.060 33.901 0.159 1
1 696 . 11 1 1 A 62 62 LYS N N 62 116.535 113.577 2.958 1
1 697 . 11 1 1 A 63 63 LEU H H 63 6.706 8.504 -1.798 1
1 698 . 11 1 1 A 63 63 LEU HA H 63 5.093 5.307 -0.214 1
1 708 . 11 1 1 A 63 63 LEU C C 63 175.503 175.403 0.100 1
1 709 . 11 1 1 A 63 63 LEU CA C 63 53.330 52.516 0.814 1
1 710 . 11 1 1 A 63 63 LEU CB C 63 43.280 46.186 -2.906 1
1 714 . 11 1 1 A 63 63 LEU N N 63 119.236 114.525 4.711 1
1 715 . 11 1 1 A 64 64 ILE H H 64 8.471 8.820 -0.349 1
1 716 . 11 1 1 A 64 64 ILE HA H 64 4.429 5.048 -0.619 1
1 726 . 11 1 1 A 64 64 ILE C C 64 172.642 173.635 -0.993 1
1 727 . 11 1 1 A 64 64 ILE CA C 64 59.520 58.877 0.643 1
1 728 . 11 1 1 A 64 64 ILE CB C 64 42.740 42.430 0.310 1
1 732 . 11 1 1 A 64 64 ILE N N 64 116.258 114.876 1.382 1
1 733 . 11 1 1 A 65 65 LEU H H 65 8.429 8.875 -0.446 1
1 734 . 11 1 1 A 65 65 LEU HA H 65 5.543 5.378 0.165 1
1 744 . 11 1 1 A 65 65 LEU C C 65 176.050 174.781 1.269 1
1 745 . 11 1 1 A 65 65 LEU CA C 65 53.230 53.202 0.028 1
1 746 . 11 1 1 A 65 65 LEU CB C 65 46.610 45.673 0.937 1
1 750 . 11 1 1 A 65 65 LEU N N 65 125.259 124.308 0.951 1
1 751 . 11 1 1 A 66 66 THR H H 66 9.302 8.577 0.725 1
1 752 . 11 1 1 A 66 66 THR HA H 66 4.905 4.821 0.084 1
1 757 . 11 1 1 A 66 66 THR C C 66 172.436 172.368 0.068 1
1 758 . 11 1 1 A 66 66 THR CA C 66 59.850 60.507 -0.657 1
1 759 . 11 1 1 A 66 66 THR CB C 66 71.650 69.726 1.924 1
1 761 . 11 1 1 A 66 66 THR N N 66 121.417 118.395 3.022 1
1 7 . 12 1 1 A 2 2 MET H H 2 8.334 7.741 0.593 1
1 8 . 12 1 1 A 2 2 MET HA H 2 4.432 4.505 -0.073 1
1 16 . 12 1 1 A 2 2 MET C C 2 176.391 176.131 0.260 1
1 17 . 12 1 1 A 2 2 MET CA C 2 55.880 55.488 0.392 1
1 18 . 12 1 1 A 2 2 MET CB C 2 32.400 32.931 -0.531 1
1 21 . 12 1 1 A 2 2 MET N N 2 121.118 116.222 4.896 1
1 22 . 12 1 1 A 3 3 THR H H 3 8.177 8.594 -0.417 1
1 23 . 12 1 1 A 3 3 THR HA H 3 4.338 5.242 -0.904 1
1 28 . 12 1 1 A 3 3 THR C C 3 174.455 173.781 0.674 1
1 29 . 12 1 1 A 3 3 THR CA C 3 61.410 59.895 1.515 1
1 30 . 12 1 1 A 3 3 THR CB C 3 69.710 70.431 -0.721 1
1 32 . 12 1 1 A 3 3 THR N N 3 115.029 114.001 1.028 1
1 33 . 12 1 1 A 4 4 ALA H H 4 8.429 8.802 -0.373 1
1 34 . 12 1 1 A 4 4 ALA HA H 4 4.303 4.966 -0.663 1
1 38 . 12 1 1 A 4 4 ALA C C 4 178.127 175.627 2.500 1
1 39 . 12 1 1 A 4 4 ALA CA C 4 52.580 51.574 1.006 1
1 40 . 12 1 1 A 4 4 ALA CB C 4 19.370 20.326 -0.956 1
1 41 . 12 1 1 A 4 4 ALA N N 4 126.222 125.641 0.581 1
1 42 . 12 1 1 A 5 5 SER H H 5 8.257 8.827 -0.570 1
1 43 . 12 1 1 A 5 5 SER HA H 5 4.352 5.125 -0.773 1
1 46 . 12 1 1 A 5 5 SER C C 5 174.687 172.700 1.987 1
1 47 . 12 1 1 A 5 5 SER CA C 5 58.790 57.979 0.811 1
1 48 . 12 1 1 A 5 5 SER CB C 5 63.720 65.972 -2.252 1
1 49 . 12 1 1 A 5 5 SER N N 5 114.762 116.490 -1.728 1
1 50 . 12 1 1 A 6 6 ASP H H 6 8.186 8.668 -0.482 1
1 51 . 12 1 1 A 6 6 ASP HA H 6 4.547 4.729 -0.182 1
1 54 . 12 1 1 A 6 6 ASP C C 6 176.423 176.641 -0.218 1
1 55 . 12 1 1 A 6 6 ASP CA C 6 54.760 53.251 1.509 1
1 56 . 12 1 1 A 6 6 ASP CB C 6 41.110 41.858 -0.748 1
1 57 . 12 1 1 A 6 6 ASP N N 6 122.104 124.017 -1.913 1
1 58 . 12 1 1 A 7 7 ARG H H 7 8.063 8.496 -0.433 1
1 59 . 12 1 1 A 7 7 ARG HA H 7 4.276 4.643 -0.367 1
1 66 . 12 1 1 A 7 7 ARG C C 7 176.455 176.641 -0.186 1
1 67 . 12 1 1 A 7 7 ARG CA C 7 56.310 55.279 1.031 1
1 68 . 12 1 1 A 7 7 ARG CB C 7 30.470 30.825 -0.355 1
1 71 . 12 1 1 A 7 7 ARG N N 7 120.343 118.294 2.049 1
1 72 . 12 1 1 A 8 8 LEU H H 8 8.157 7.045 1.112 1
1 73 . 12 1 1 A 8 8 LEU HA H 8 4.288 4.189 0.099 1
1 83 . 12 1 1 A 8 8 LEU C C 8 177.940 176.727 1.213 1
1 84 . 12 1 1 A 8 8 LEU CA C 8 55.630 55.460 0.170 1
1 85 . 12 1 1 A 8 8 LEU CB C 8 42.540 42.692 -0.152 1
1 89 . 12 1 1 A 8 8 LEU N N 8 122.546 122.477 0.069 1
1 90 . 12 1 1 A 9 9 GLY H H 9 8.290 8.326 -0.036 1
1 91 . 12 1 1 A 9 9 GLY HA2 H 9 3.896 4.164 -0.268 1
1 92 . 12 1 1 A 9 9 GLY HA3 H 9 3.896 4.164 -0.268 1
1 93 . 12 1 1 A 9 9 GLY C C 9 173.664 172.425 1.239 1
1 94 . 12 1 1 A 9 9 GLY CA C 9 45.320 45.569 -0.249 1
1 95 . 12 1 1 A 9 9 GLY N N 9 109.549 109.908 -0.359 1
1 96 . 12 1 1 A 10 10 ALA H H 10 7.980 8.588 -0.608 1
1 97 . 12 1 1 A 10 10 ALA HA H 10 4.276 4.499 -0.223 1
1 101 . 12 1 1 A 10 10 ALA C C 10 177.182 176.835 0.347 1
1 102 . 12 1 1 A 10 10 ALA CA C 10 52.130 52.054 0.076 1
1 103 . 12 1 1 A 10 10 ALA CB C 10 19.460 19.552 -0.092 1
1 104 . 12 1 1 A 10 10 ALA N N 10 123.266 127.568 -4.302 1
1 105 . 12 1 1 A 11 11 ASP H H 11 8.292 8.683 -0.391 1
1 106 . 12 1 1 A 11 11 ASP HA H 11 4.840 4.787 0.053 1
1 109 . 12 1 1 A 11 11 ASP CA C 11 51.950 52.403 -0.453 1
1 110 . 12 1 1 A 11 11 ASP CB C 11 41.320 40.449 0.871 1
1 111 . 12 1 1 A 11 11 ASP N N 11 120.930 120.501 0.429 1
1 112 . 12 1 1 A 12 12 PRO HA H 12 4.450 4.601 -0.151 1
1 119 . 12 1 1 A 12 12 PRO C C 12 177.670 175.995 1.675 1
1 120 . 12 1 1 A 12 12 PRO CA C 12 63.940 62.945 0.995 1
1 121 . 12 1 1 A 12 12 PRO CB C 12 32.180 30.130 2.050 1
1 124 . 12 1 1 A 13 13 THR H H 13 8.304 7.849 0.455 1
1 125 . 12 1 1 A 13 13 THR HA H 13 4.234 4.361 -0.127 1
1 130 . 12 1 1 A 13 13 THR C C 13 175.085 174.133 0.952 1
1 131 . 12 1 1 A 13 13 THR CA C 13 62.770 61.668 1.102 1
1 132 . 12 1 1 A 13 13 THR CB C 13 69.509 68.083 1.426 1
1 134 . 12 1 1 A 13 13 THR N N 13 112.749 113.630 -0.881 1
1 135 . 12 1 1 A 14 14 GLN H H 14 7.963 8.754 -0.791 1
1 136 . 12 1 1 A 14 14 GLN HA H 14 4.282 4.848 -0.566 1
1 141 . 12 1 1 A 14 14 GLN C C 14 175.773 174.686 1.087 1
1 142 . 12 1 1 A 14 14 GLN CA C 14 55.770 54.465 1.305 1
1 143 . 12 1 1 A 14 14 GLN CB C 14 29.440 29.429 0.011 1
1 145 . 12 1 1 A 14 14 GLN N N 14 121.849 126.185 -4.336 1
1 146 . 12 1 1 A 15 15 ALA H H 15 8.150 8.559 -0.409 1
1 147 . 12 1 1 A 15 15 ALA HA H 15 4.237 4.614 -0.377 1
1 151 . 12 1 1 A 15 15 ALA C C 15 177.587 176.831 0.756 1
1 152 . 12 1 1 A 15 15 ALA CA C 15 52.750 51.725 1.025 1
1 153 . 12 1 1 A 15 15 ALA CB C 15 19.180 19.708 -0.528 1
1 154 . 12 1 1 A 15 15 ALA N N 15 125.125 127.366 -2.241 1
1 155 . 12 1 1 A 16 16 ALA H H 16 8.234 8.387 -0.153 1
1 156 . 12 1 1 A 16 16 ALA HA H 16 4.291 4.292 -0.001 1
1 160 . 12 1 1 A 16 16 ALA C C 16 177.741 176.541 1.200 1
1 161 . 12 1 1 A 16 16 ALA CA C 16 52.410 51.959 0.451 1
1 162 . 12 1 1 A 16 16 ALA CB C 16 19.130 18.209 0.921 1
1 163 . 12 1 1 A 16 16 ALA N N 16 123.189 125.339 -2.150 1
1 164 . 12 1 1 A 17 17 SER H H 17 8.162 8.181 -0.019 1
1 165 . 12 1 1 A 17 17 SER HA H 17 4.431 4.455 -0.024 1
1 168 . 12 1 1 A 17 17 SER CA C 17 58.160 59.736 -1.576 1
1 169 . 12 1 1 A 17 17 SER CB C 17 64.030 63.513 0.517 1
1 170 . 12 1 1 A 17 17 SER N N 17 114.762 119.146 -4.384 1
1 171 . 12 1 1 A 18 18 SER H H 18 8.246 8.892 -0.646 1
1 172 . 12 1 1 A 18 18 SER HA H 18 4.747 5.044 -0.297 1
1 173 . 12 1 1 A 18 18 SER CA C 18 58.640 55.571 3.069 1
1 174 . 12 1 1 A 18 18 SER N N 18 118.482 122.901 -4.419 1
1 175 . 12 1 1 A 19 19 PRO HA H 19 4.426 4.686 -0.260 1
1 182 . 12 1 1 A 19 19 PRO CA C 19 63.790 62.781 1.009 1
1 183 . 12 1 1 A 19 19 PRO CB C 19 32.220 33.467 -1.247 1
1 186 . 12 1 1 A 20 20 GLY H H 20 8.452 8.319 0.133 1
1 187 . 12 1 1 A 20 20 GLY HA2 H 20 3.938 4.273 -0.335 1
1 188 . 12 1 1 A 20 20 GLY HA3 H 20 3.938 4.274 -0.336 1
1 189 . 12 1 1 A 20 20 GLY C C 20 174.674 172.534 2.140 1
1 190 . 12 1 1 A 20 20 GLY CA C 20 45.330 45.646 -0.316 1
1 191 . 12 1 1 A 20 20 GLY N N 20 109.329 107.486 1.843 1
1 192 . 12 1 1 A 21 21 GLY H H 21 8.217 8.543 -0.326 1
1 193 . 12 1 1 A 21 21 GLY HA2 H 21 3.946 4.184 -0.238 1
1 194 . 12 1 1 A 21 21 GLY HA3 H 21 3.946 4.184 -0.238 1
1 195 . 12 1 1 A 21 21 GLY C C 21 173.555 172.741 0.814 1
1 196 . 12 1 1 A 21 21 GLY CA C 21 45.390 44.478 0.912 1
1 197 . 12 1 1 A 21 21 GLY N N 21 108.749 107.201 1.548 1
1 198 . 12 1 1 A 22 22 ALA H H 22 8.147 8.239 -0.092 1
1 199 . 12 1 1 A 22 22 ALA HA H 22 4.866 5.250 -0.384 1
1 203 . 12 1 1 A 22 22 ALA C C 22 176.931 176.884 0.047 1
1 204 . 12 1 1 A 22 22 ALA CA C 22 51.910 50.499 1.411 1
1 205 . 12 1 1 A 22 22 ALA CB C 22 20.490 21.905 -1.415 1
1 206 . 12 1 1 A 22 22 ALA N N 22 124.041 124.482 -0.441 1
1 207 . 12 1 1 A 23 23 ARG H H 23 8.699 9.022 -0.323 1
1 208 . 12 1 1 A 23 23 ARG HA H 23 4.641 5.039 -0.398 1
1 215 . 12 1 1 A 23 23 ARG C C 23 173.587 174.024 -0.437 1
1 216 . 12 1 1 A 23 23 ARG CA C 23 55.000 54.072 0.928 1
1 217 . 12 1 1 A 23 23 ARG CB C 23 32.420 33.900 -1.480 1
1 220 . 12 1 1 A 23 23 ARG N N 23 120.753 118.130 2.623 1
1 221 . 12 1 1 A 24 24 ALA H H 24 8.408 8.786 -0.378 1
1 222 . 12 1 1 A 24 24 ALA HA H 24 5.145 5.003 0.142 1
1 226 . 12 1 1 A 24 24 ALA C C 24 177.092 176.477 0.615 1
1 227 . 12 1 1 A 24 24 ALA CA C 24 51.160 50.295 0.865 1
1 228 . 12 1 1 A 24 24 ALA CB C 24 21.490 20.449 1.041 1
1 229 . 12 1 1 A 24 24 ALA N N 24 124.606 123.013 1.593 1
1 230 . 12 1 1 A 25 25 VAL H H 25 8.842 8.623 0.219 1
1 231 . 12 1 1 A 25 25 VAL HA H 25 4.411 4.821 -0.410 1
1 239 . 12 1 1 A 25 25 VAL C C 25 174.558 175.807 -1.249 1
1 240 . 12 1 1 A 25 25 VAL CA C 25 60.160 60.178 -0.018 1
1 241 . 12 1 1 A 25 25 VAL CB C 25 34.450 33.466 0.984 1
1 244 . 12 1 1 A 25 25 VAL N N 25 120.299 120.440 -0.141 1
1 245 . 12 1 1 A 26 26 SER H H 26 8.744 9.014 -0.270 1
1 246 . 12 1 1 A 26 26 SER HA H 26 4.747 5.273 -0.526 1
1 249 . 12 1 1 A 26 26 SER C C 26 173.304 173.985 -0.681 1
1 250 . 12 1 1 A 26 26 SER CA C 26 58.720 56.015 2.705 1
1 251 . 12 1 1 A 26 26 SER CB C 26 63.910 65.749 -1.839 1
1 252 . 12 1 1 A 26 26 SER N N 26 121.229 118.331 2.898 1
1 253 . 12 1 1 A 27 27 ILE H H 27 8.716 8.850 -0.134 1
1 254 . 12 1 1 A 27 27 ILE HA H 27 4.360 4.988 -0.628 1
1 264 . 12 1 1 A 27 27 ILE C C 27 175.478 174.314 1.164 1
1 265 . 12 1 1 A 27 27 ILE CA C 27 60.670 60.383 0.287 1
1 266 . 12 1 1 A 27 27 ILE CB C 27 39.210 41.210 -2.000 1
1 270 . 12 1 1 A 27 27 ILE N N 27 124.450 122.612 1.838 1
1 271 . 12 1 1 A 28 28 VAL H H 28 8.426 8.318 0.108 1
1 272 . 12 1 1 A 28 28 VAL HA H 28 4.298 4.643 -0.345 1
1 280 . 12 1 1 A 28 28 VAL CA C 28 61.850 60.973 0.877 1
1 281 . 12 1 1 A 28 28 VAL CB C 28 32.790 32.217 0.573 1
1 284 . 12 1 1 A 28 28 VAL N N 28 128.723 123.526 5.197 1
1 285 . 12 1 1 A 29 29 GLY H H 29 8.953 8.910 0.043 1
1 286 . 12 1 1 A 29 29 GLY HA2 H 29 3.988 3.845 0.143 1
1 287 . 12 1 1 A 29 29 GLY HA3 H 29 3.725 3.846 -0.121 1
1 288 . 12 1 1 A 29 29 GLY C C 29 176.487 173.949 2.538 1
1 289 . 12 1 1 A 29 29 GLY CA C 29 47.610 47.325 0.285 1
1 290 . 12 1 1 A 29 29 GLY N N 29 120.095 115.763 4.332 1
1 291 . 12 1 1 A 30 30 ASN H H 30 8.566 8.055 0.511 1
1 292 . 12 1 1 A 30 30 ASN HA H 30 4.422 5.009 -0.587 1
1 297 . 12 1 1 A 30 30 ASN C C 30 172.841 174.056 -1.215 1
1 298 . 12 1 1 A 30 30 ASN CA C 30 53.100 52.253 0.847 1
1 299 . 12 1 1 A 30 30 ASN CB C 30 38.630 38.423 0.207 1
1 300 . 12 1 1 A 30 30 ASN N N 30 120.808 118.957 1.851 1
1 302 . 12 1 1 A 31 31 GLN H H 31 7.713 7.679 0.034 1
1 303 . 12 1 1 A 31 31 GLN HA H 31 5.672 4.889 0.783 1
1 310 . 12 1 1 A 31 31 GLN C C 31 174.828 173.768 1.060 1
1 311 . 12 1 1 A 31 31 GLN CA C 31 54.730 55.028 -0.298 1
1 312 . 12 1 1 A 31 31 GLN CB C 31 32.800 32.444 0.356 1
1 314 . 12 1 1 A 31 31 GLN N N 31 118.262 120.138 -1.876 1
1 316 . 12 1 1 A 32 32 ILE H H 32 9.113 8.582 0.531 1
1 317 . 12 1 1 A 32 32 ILE HA H 32 4.454 4.646 -0.192 1
1 327 . 12 1 1 A 32 32 ILE C C 32 173.439 172.699 0.740 1
1 328 . 12 1 1 A 32 32 ILE CA C 32 59.610 59.421 0.189 1
1 329 . 12 1 1 A 32 32 ILE CB C 32 42.350 40.754 1.596 1
1 333 . 12 1 1 A 32 32 ILE N N 32 124.849 122.999 1.850 1
1 334 . 12 1 1 A 33 33 ASP H H 33 9.066 8.749 0.317 1
1 335 . 12 1 1 A 33 33 ASP HA H 33 5.077 5.008 0.069 1
1 338 . 12 1 1 A 33 33 ASP C C 33 178.378 176.632 1.746 1
1 339 . 12 1 1 A 33 33 ASP CA C 33 53.460 53.253 0.207 1
1 340 . 12 1 1 A 33 33 ASP CB C 33 43.180 42.856 0.324 1
1 341 . 12 1 1 A 33 33 ASP N N 33 127.594 127.709 -0.115 1
1 342 . 12 1 1 A 34 34 SER H H 34 9.524 9.131 0.393 1
1 343 . 12 1 1 A 34 34 SER HA H 34 3.902 4.213 -0.311 1
1 346 . 12 1 1 A 34 34 SER C C 34 175.876 176.587 -0.711 1
1 347 . 12 1 1 A 34 34 SER CA C 34 61.980 61.342 0.638 1
1 348 . 12 1 1 A 34 34 SER CB C 34 61.510 62.847 -1.337 1
1 349 . 12 1 1 A 34 34 SER N N 34 125.026 120.926 4.100 1
1 350 . 12 1 1 A 35 35 ARG H H 35 9.022 8.065 0.957 1
1 351 . 12 1 1 A 35 35 ARG HA H 35 4.235 4.049 0.186 1
1 358 . 12 1 1 A 35 35 ARG C C 35 178.661 178.496 0.165 1
1 359 . 12 1 1 A 35 35 ARG CA C 35 58.840 59.414 -0.574 1
1 360 . 12 1 1 A 35 35 ARG CB C 35 29.970 29.779 0.191 1
1 363 . 12 1 1 A 35 35 ARG N N 35 122.601 121.708 0.893 1
1 364 . 12 1 1 A 36 36 GLU H H 36 7.689 8.008 -0.319 1
1 365 . 12 1 1 A 36 36 GLU HA H 36 4.202 4.009 0.193 1
1 370 . 12 1 1 A 36 36 GLU C C 36 177.285 179.122 -1.837 1
1 371 . 12 1 1 A 36 36 GLU CA C 36 57.340 58.937 -1.597 1
1 372 . 12 1 1 A 36 36 GLU CB C 36 30.910 29.301 1.609 1
1 374 . 12 1 1 A 36 36 GLU N N 36 115.420 118.946 -3.526 1
1 375 . 12 1 1 A 37 37 LEU H H 37 7.280 7.616 -0.336 1
1 376 . 12 1 1 A 37 37 LEU HA H 37 3.805 4.011 -0.206 1
1 386 . 12 1 1 A 37 37 LEU C C 37 176.410 177.805 -1.395 1
1 387 . 12 1 1 A 37 37 LEU CA C 37 56.790 57.463 -0.673 1
1 388 . 12 1 1 A 37 37 LEU CB C 37 42.510 42.060 0.450 1
1 392 . 12 1 1 A 37 37 LEU N N 37 117.043 119.558 -2.515 1
1 393 . 12 1 1 A 38 38 PHE H H 38 7.431 7.929 -0.498 1
1 394 . 12 1 1 A 38 38 PHE HA H 38 4.884 4.896 -0.012 1
1 402 . 12 1 1 A 38 38 PHE C C 38 176.018 176.081 -0.063 1
1 403 . 12 1 1 A 38 38 PHE CA C 38 57.320 57.872 -0.552 1
1 404 . 12 1 1 A 38 38 PHE CB C 38 38.500 38.160 0.340 1
1 408 . 12 1 1 A 38 38 PHE N N 38 115.439 115.179 0.260 1
1 409 . 12 1 1 A 39 39 THR H H 39 7.632 7.716 -0.084 1
1 410 . 12 1 1 A 39 39 THR HA H 39 4.256 4.236 0.020 1
1 415 . 12 1 1 A 39 39 THR C C 39 175.986 175.666 0.320 1
1 416 . 12 1 1 A 39 39 THR CA C 39 62.630 63.718 -1.088 1
1 417 . 12 1 1 A 39 39 THR CB C 39 69.240 68.871 0.369 1
1 419 . 12 1 1 A 39 39 THR N N 39 112.395 114.820 -2.425 1
1 420 . 12 1 1 A 40 40 VAL H H 40 8.246 8.338 -0.092 1
1 421 . 12 1 1 A 40 40 VAL HA H 40 4.121 4.477 -0.356 1
1 429 . 12 1 1 A 40 40 VAL C C 40 175.233 174.699 0.534 1
1 430 . 12 1 1 A 40 40 VAL CA C 40 63.340 63.553 -0.213 1
1 431 . 12 1 1 A 40 40 VAL CB C 40 32.870 34.442 -1.572 1
1 434 . 12 1 1 A 40 40 VAL N N 40 118.329 119.731 -1.402 1
1 435 . 12 1 1 A 41 41 ASP H H 41 8.048 8.172 -0.124 1
1 436 . 12 1 1 A 41 41 ASP HA H 41 4.792 5.095 -0.303 1
1 439 . 12 1 1 A 41 41 ASP CA C 41 53.950 52.909 1.041 1
1 440 . 12 1 1 A 41 41 ASP CB C 41 43.630 43.244 0.386 1
1 441 . 12 1 1 A 41 41 ASP N N 41 120.465 121.383 -0.918 1
1 442 . 12 1 1 A 42 42 ARG H H 42 8.639 8.755 -0.116 1
1 443 . 12 1 1 A 42 42 ARG HA H 42 4.157 4.659 -0.502 1
1 450 . 12 1 1 A 42 42 ARG C C 42 173.606 175.764 -2.158 1
1 451 . 12 1 1 A 42 42 ARG CA C 42 56.340 56.138 0.202 1
1 452 . 12 1 1 A 42 42 ARG CB C 42 29.930 30.523 -0.593 1
1 455 . 12 1 1 A 42 42 ARG N N 42 116.578 122.861 -6.283 1
1 456 . 12 1 1 A 43 43 GLU H H 43 7.452 7.558 -0.106 1
1 457 . 12 1 1 A 43 43 GLU HA H 43 5.413 5.376 0.037 1
1 462 . 12 1 1 A 43 43 GLU C C 43 174.192 174.280 -0.088 1
1 463 . 12 1 1 A 43 43 GLU CA C 43 55.100 56.046 -0.946 1
1 464 . 12 1 1 A 43 43 GLU CB C 43 34.110 33.302 0.808 1
1 466 . 12 1 1 A 43 43 GLU N N 43 116.369 119.973 -3.604 1
1 467 . 12 1 1 A 44 44 ILE H H 44 9.056 9.442 -0.386 1
1 468 . 12 1 1 A 44 44 ILE HA H 44 4.696 5.070 -0.374 1
1 478 . 12 1 1 A 44 44 ILE C C 44 173.831 174.703 -0.872 1
1 479 . 12 1 1 A 44 44 ILE CA C 44 58.070 59.777 -1.707 1
1 480 . 12 1 1 A 44 44 ILE CB C 44 41.140 41.021 0.119 1
1 484 . 12 1 1 A 44 44 ILE N N 44 123.963 127.343 -3.380 1
1 485 . 12 1 1 A 45 45 VAL H H 45 8.740 8.882 -0.142 1
1 486 . 12 1 1 A 45 45 VAL HA H 45 4.850 4.969 -0.119 1
1 494 . 12 1 1 A 45 45 VAL C C 45 175.175 175.456 -0.281 1
1 495 . 12 1 1 A 45 45 VAL CA C 45 60.990 61.111 -0.121 1
1 496 . 12 1 1 A 45 45 VAL CB C 45 33.810 33.661 0.149 1
1 499 . 12 1 1 A 45 45 VAL N N 45 126.299 126.691 -0.392 1
1 500 . 12 1 1 A 46 46 ILE H H 46 9.367 9.331 0.036 1
1 501 . 12 1 1 A 46 46 ILE HA H 46 4.830 4.750 0.080 1
1 511 . 12 1 1 A 46 46 ILE C C 46 175.433 174.860 0.573 1
1 512 . 12 1 1 A 46 46 ILE CA C 46 59.350 60.589 -1.239 1
1 513 . 12 1 1 A 46 46 ILE CB C 46 39.410 40.976 -1.566 1
1 517 . 12 1 1 A 46 46 ILE N N 46 126.797 127.378 -0.581 1
1 518 . 12 1 1 A 47 47 ALA H H 47 9.173 8.910 0.263 1
1 519 . 12 1 1 A 47 47 ALA HA H 47 4.790 5.015 -0.225 1
1 523 . 12 1 1 A 47 47 ALA C C 47 175.394 176.765 -1.371 1
1 524 . 12 1 1 A 47 47 ALA CA C 47 51.500 51.728 -0.228 1
1 525 . 12 1 1 A 47 47 ALA CB C 47 19.020 20.099 -1.079 1
1 526 . 12 1 1 A 47 47 ALA N N 47 131.668 131.462 0.206 1
1 527 . 12 1 1 A 48 48 HIS H H 48 8.473 8.867 -0.394 1
1 528 . 12 1 1 A 48 48 HIS HA H 48 5.394 4.900 0.494 1
1 533 . 12 1 1 A 48 48 HIS C C 48 175.182 175.095 0.087 1
1 534 . 12 1 1 A 48 48 HIS CA C 48 54.520 55.366 -0.846 1
1 535 . 12 1 1 A 48 48 HIS CB C 48 33.190 32.177 1.013 1
1 538 . 12 1 1 A 48 48 HIS N N 48 126.144 123.155 2.989 1
1 539 . 12 1 1 A 49 49 GLY H H 49 8.847 8.957 -0.110 1
1 540 . 12 1 1 A 49 49 GLY HA2 H 49 3.795 3.616 0.179 1
1 541 . 12 1 1 A 49 49 GLY HA3 H 49 3.549 3.632 -0.083 1
1 542 . 12 1 1 A 49 49 GLY CA C 49 46.950 46.981 -0.031 1
1 543 . 12 1 1 A 49 49 GLY N N 49 117.318 115.940 1.378 1
1 544 . 12 1 1 A 50 50 ASP HA H 50 4.639 4.734 -0.095 1
1 547 . 12 1 1 A 50 50 ASP C C 50 175.825 174.660 1.165 1
1 548 . 12 1 1 A 50 50 ASP CA C 50 55.070 53.877 1.193 1
1 549 . 12 1 1 A 50 50 ASP CB C 50 31.070 42.403 -11.333 1
1 550 . 12 1 1 A 51 51 ASP H H 51 8.166 7.227 0.939 1
1 551 . 12 1 1 A 51 51 ASP HA H 51 4.810 4.916 -0.106 1
1 554 . 12 1 1 A 51 51 ASP C C 51 176.635 174.710 1.925 1
1 555 . 12 1 1 A 51 51 ASP CA C 51 53.950 52.944 1.006 1
1 556 . 12 1 1 A 51 51 ASP CB C 51 43.250 43.340 -0.090 1
1 557 . 12 1 1 A 51 51 ASP N N 51 120.310 121.420 -1.110 1
1 558 . 12 1 1 A 52 52 ARG H H 52 8.784 8.463 0.321 1
1 559 . 12 1 1 A 52 52 ARG HA H 52 4.970 5.126 -0.156 1
1 566 . 12 1 1 A 52 52 ARG C C 52 174.757 174.784 -0.027 1
1 567 . 12 1 1 A 52 52 ARG CA C 52 54.250 54.762 -0.512 1
1 568 . 12 1 1 A 52 52 ARG CB C 52 31.440 32.139 -0.699 1
1 571 . 12 1 1 A 52 52 ARG N N 52 123.348 120.997 2.351 1
1 572 . 12 1 1 A 53 53 TYR H H 53 8.850 9.382 -0.532 1
1 573 . 12 1 1 A 53 53 TYR HA H 53 4.806 5.192 -0.386 1
1 580 . 12 1 1 A 53 53 TYR C C 53 174.989 175.313 -0.324 1
1 581 . 12 1 1 A 53 53 TYR CA C 53 56.850 57.194 -0.344 1
1 582 . 12 1 1 A 53 53 TYR CB C 53 41.480 41.952 -0.472 1
1 585 . 12 1 1 A 53 53 TYR N N 53 122.391 123.048 -0.657 1
1 586 . 12 1 1 A 54 54 ARG H H 54 9.387 9.072 0.315 1
1 587 . 12 1 1 A 54 54 ARG HA H 54 4.936 5.608 -0.672 1
1 594 . 12 1 1 A 54 54 ARG C C 54 174.076 174.372 -0.296 1
1 595 . 12 1 1 A 54 54 ARG CA C 54 55.100 54.881 0.219 1
1 596 . 12 1 1 A 54 54 ARG CB C 54 31.750 33.316 -1.566 1
1 599 . 12 1 1 A 54 54 ARG N N 54 120.797 120.363 0.434 1
1 600 . 12 1 1 A 55 55 LEU H H 55 9.271 9.057 0.214 1
1 601 . 12 1 1 A 55 55 LEU HA H 55 5.237 5.034 0.203 1
1 611 . 12 1 1 A 55 55 LEU C C 55 174.841 175.163 -0.322 1
1 612 . 12 1 1 A 55 55 LEU CA C 55 53.590 54.117 -0.527 1
1 613 . 12 1 1 A 55 55 LEU CB C 55 43.470 44.109 -0.639 1
1 617 . 12 1 1 A 55 55 LEU N N 55 128.735 127.670 1.065 1
1 618 . 12 1 1 A 56 56 ARG H H 56 9.000 9.354 -0.354 1
1 619 . 12 1 1 A 56 56 ARG HA H 56 5.110 5.237 -0.127 1
1 626 . 12 1 1 A 56 56 ARG C C 56 173.413 173.914 -0.501 1
1 627 . 12 1 1 A 56 56 ARG CA C 56 54.440 54.566 -0.126 1
1 628 . 12 1 1 A 56 56 ARG CB C 56 34.540 33.200 1.340 1
1 631 . 12 1 1 A 56 56 ARG N N 56 125.280 128.728 -3.448 1
1 632 . 12 1 1 A 57 57 LEU H H 57 7.631 8.822 -1.191 1
1 633 . 12 1 1 A 57 57 LEU HA H 57 4.667 4.800 -0.133 1
1 643 . 12 1 1 A 57 57 LEU C C 57 177.709 175.565 2.144 1
1 644 . 12 1 1 A 57 57 LEU CA C 57 52.710 53.126 -0.416 1
1 645 . 12 1 1 A 57 57 LEU CB C 57 42.480 44.326 -1.846 1
1 649 . 12 1 1 A 57 57 LEU N N 57 122.967 128.235 -5.268 1
1 650 . 12 1 1 A 58 58 THR H H 58 9.001 8.507 0.494 1
1 651 . 12 1 1 A 58 58 THR HA H 58 4.508 4.760 -0.252 1
1 656 . 12 1 1 A 58 58 THR CA C 58 60.440 59.811 0.629 1
1 657 . 12 1 1 A 58 58 THR CB C 58 71.960 71.404 0.556 1
1 659 . 12 1 1 A 58 58 THR N N 58 116.533 115.680 0.853 1
1 660 . 12 1 1 A 60 60 GLN HA H 60 4.433 4.488 -0.055 1
1 665 . 12 1 1 A 60 60 GLN C C 60 174.738 176.306 -1.568 1
1 666 . 12 1 1 A 60 60 GLN CA C 60 55.280 55.129 0.151 1
1 667 . 12 1 1 A 60 60 GLN CB C 60 28.190 29.813 -1.623 1
1 669 . 12 1 1 A 61 61 ASN H H 61 8.333 8.370 -0.037 1
1 670 . 12 1 1 A 61 61 ASN HA H 61 4.262 4.683 -0.421 1
1 675 . 12 1 1 A 61 61 ASN C C 61 174.725 174.960 -0.235 1
1 676 . 12 1 1 A 61 61 ASN CA C 61 54.130 55.090 -0.960 1
1 677 . 12 1 1 A 61 61 ASN CB C 61 37.560 38.824 -1.264 1
1 678 . 12 1 1 A 61 61 ASN N N 61 116.480 118.783 -2.303 1
1 680 . 12 1 1 A 62 62 LYS H H 62 7.111 7.516 -0.405 1
1 681 . 12 1 1 A 62 62 LYS HA H 62 4.520 4.746 -0.226 1
1 690 . 12 1 1 A 62 62 LYS C C 62 174.057 174.352 -0.295 1
1 691 . 12 1 1 A 62 62 LYS CA C 62 53.930 54.778 -0.848 1
1 692 . 12 1 1 A 62 62 LYS CB C 62 34.060 35.812 -1.752 1
1 696 . 12 1 1 A 62 62 LYS N N 62 116.535 114.360 2.175 1
1 697 . 12 1 1 A 63 63 LEU H H 63 6.706 8.510 -1.804 1
1 698 . 12 1 1 A 63 63 LEU HA H 63 5.093 5.470 -0.377 1
1 708 . 12 1 1 A 63 63 LEU C C 63 175.503 175.422 0.081 1
1 709 . 12 1 1 A 63 63 LEU CA C 63 53.330 52.556 0.774 1
1 710 . 12 1 1 A 63 63 LEU CB C 63 43.280 46.263 -2.983 1
1 714 . 12 1 1 A 63 63 LEU N N 63 119.236 115.715 3.521 1
1 715 . 12 1 1 A 64 64 ILE H H 64 8.471 9.024 -0.553 1
1 716 . 12 1 1 A 64 64 ILE HA H 64 4.429 4.870 -0.441 1
1 726 . 12 1 1 A 64 64 ILE C C 64 172.642 173.759 -1.117 1
1 727 . 12 1 1 A 64 64 ILE CA C 64 59.520 59.136 0.384 1
1 728 . 12 1 1 A 64 64 ILE CB C 64 42.740 41.827 0.913 1
1 732 . 12 1 1 A 64 64 ILE N N 64 116.258 114.577 1.681 1
1 733 . 12 1 1 A 65 65 LEU H H 65 8.429 8.865 -0.436 1
1 734 . 12 1 1 A 65 65 LEU HA H 65 5.543 5.234 0.309 1
1 744 . 12 1 1 A 65 65 LEU C C 65 176.050 174.900 1.150 1
1 745 . 12 1 1 A 65 65 LEU CA C 65 53.230 53.349 -0.119 1
1 746 . 12 1 1 A 65 65 LEU CB C 65 46.610 45.171 1.439 1
1 750 . 12 1 1 A 65 65 LEU N N 65 125.259 124.295 0.964 1
1 751 . 12 1 1 A 66 66 THR H H 66 9.302 8.671 0.631 1
1 752 . 12 1 1 A 66 66 THR HA H 66 4.905 4.816 0.089 1
1 757 . 12 1 1 A 66 66 THR C C 66 172.436 172.303 0.133 1
1 758 . 12 1 1 A 66 66 THR CA C 66 59.850 60.571 -0.721 1
1 759 . 12 1 1 A 66 66 THR CB C 66 71.650 69.780 1.870 1
1 761 . 12 1 1 A 66 66 THR N N 66 121.417 118.156 3.261 1
1 7 . 13 1 1 A 2 2 MET H H 2 8.334 7.507 0.827 1
1 8 . 13 1 1 A 2 2 MET HA H 2 4.432 4.446 -0.014 1
1 16 . 13 1 1 A 2 2 MET C C 2 176.391 174.705 1.686 1
1 17 . 13 1 1 A 2 2 MET CA C 2 55.880 54.984 0.896 1
1 18 . 13 1 1 A 2 2 MET CB C 2 32.400 31.911 0.489 1
1 21 . 13 1 1 A 2 2 MET N N 2 121.118 120.569 0.549 1
1 22 . 13 1 1 A 3 3 THR H H 3 8.177 8.878 -0.701 1
1 23 . 13 1 1 A 3 3 THR HA H 3 4.338 4.819 -0.481 1
1 28 . 13 1 1 A 3 3 THR C C 3 174.455 173.543 0.912 1
1 29 . 13 1 1 A 3 3 THR CA C 3 61.410 61.823 -0.413 1
1 30 . 13 1 1 A 3 3 THR CB C 3 69.710 69.295 0.415 1
1 32 . 13 1 1 A 3 3 THR N N 3 115.029 119.824 -4.795 1
1 33 . 13 1 1 A 4 4 ALA H H 4 8.429 8.440 -0.011 1
1 34 . 13 1 1 A 4 4 ALA HA H 4 4.303 4.881 -0.578 1
1 38 . 13 1 1 A 4 4 ALA C C 4 178.127 176.027 2.100 1
1 39 . 13 1 1 A 4 4 ALA CA C 4 52.580 51.943 0.637 1
1 40 . 13 1 1 A 4 4 ALA CB C 4 19.370 19.996 -0.626 1
1 41 . 13 1 1 A 4 4 ALA N N 4 126.222 129.032 -2.810 1
1 42 . 13 1 1 A 5 5 SER H H 5 8.257 9.023 -0.766 1
1 43 . 13 1 1 A 5 5 SER HA H 5 4.352 5.095 -0.743 1
1 46 . 13 1 1 A 5 5 SER C C 5 174.687 173.573 1.114 1
1 47 . 13 1 1 A 5 5 SER CA C 5 58.790 57.635 1.155 1
1 48 . 13 1 1 A 5 5 SER CB C 5 63.720 64.657 -0.937 1
1 49 . 13 1 1 A 5 5 SER N N 5 114.762 120.227 -5.465 1
1 50 . 13 1 1 A 6 6 ASP H H 6 8.186 8.773 -0.587 1
1 51 . 13 1 1 A 6 6 ASP HA H 6 4.547 5.053 -0.506 1
1 54 . 13 1 1 A 6 6 ASP C C 6 176.423 175.622 0.801 1
1 55 . 13 1 1 A 6 6 ASP CA C 6 54.760 53.490 1.270 1
1 56 . 13 1 1 A 6 6 ASP CB C 6 41.110 41.875 -0.765 1
1 57 . 13 1 1 A 6 6 ASP N N 6 122.104 126.171 -4.067 1
1 58 . 13 1 1 A 7 7 ARG H H 7 8.063 8.959 -0.896 1
1 59 . 13 1 1 A 7 7 ARG HA H 7 4.276 5.159 -0.883 1
1 66 . 13 1 1 A 7 7 ARG C C 7 176.455 173.651 2.804 1
1 67 . 13 1 1 A 7 7 ARG CA C 7 56.310 54.493 1.817 1
1 68 . 13 1 1 A 7 7 ARG CB C 7 30.470 34.188 -3.718 1
1 71 . 13 1 1 A 7 7 ARG N N 7 120.343 118.675 1.668 1
1 72 . 13 1 1 A 8 8 LEU H H 8 8.157 8.890 -0.733 1
1 73 . 13 1 1 A 8 8 LEU HA H 8 4.288 4.998 -0.710 1
1 83 . 13 1 1 A 8 8 LEU C C 8 177.940 176.803 1.137 1
1 84 . 13 1 1 A 8 8 LEU CA C 8 55.630 53.385 2.245 1
1 85 . 13 1 1 A 8 8 LEU CB C 8 42.540 45.238 -2.698 1
1 89 . 13 1 1 A 8 8 LEU N N 8 122.546 122.520 0.026 1
1 90 . 13 1 1 A 9 9 GLY H H 9 8.290 8.726 -0.436 1
1 91 . 13 1 1 A 9 9 GLY HA2 H 9 3.896 4.141 -0.245 1
1 92 . 13 1 1 A 9 9 GLY HA3 H 9 3.896 4.141 -0.245 1
1 93 . 13 1 1 A 9 9 GLY C C 9 173.664 173.909 -0.245 1
1 94 . 13 1 1 A 9 9 GLY CA C 9 45.320 45.294 0.026 1
1 95 . 13 1 1 A 9 9 GLY N N 9 109.549 113.942 -4.393 1
1 96 . 13 1 1 A 10 10 ALA H H 10 7.980 7.913 0.067 1
1 97 . 13 1 1 A 10 10 ALA HA H 10 4.276 4.437 -0.161 1
1 101 . 13 1 1 A 10 10 ALA C C 10 177.182 176.243 0.939 1
1 102 . 13 1 1 A 10 10 ALA CA C 10 52.130 50.997 1.133 1
1 103 . 13 1 1 A 10 10 ALA CB C 10 19.460 17.776 1.684 1
1 104 . 13 1 1 A 10 10 ALA N N 10 123.266 122.252 1.014 1
1 105 . 13 1 1 A 11 11 ASP H H 11 8.292 7.792 0.500 1
1 106 . 13 1 1 A 11 11 ASP HA H 11 4.840 4.949 -0.109 1
1 109 . 13 1 1 A 11 11 ASP CA C 11 51.950 52.163 -0.213 1
1 110 . 13 1 1 A 11 11 ASP CB C 11 41.320 40.320 1.000 1
1 111 . 13 1 1 A 11 11 ASP N N 11 120.930 119.785 1.145 1
1 112 . 13 1 1 A 12 12 PRO HA H 12 4.450 4.726 -0.276 1
1 119 . 13 1 1 A 12 12 PRO C C 12 177.670 176.536 1.134 1
1 120 . 13 1 1 A 12 12 PRO CA C 12 63.940 62.554 1.386 1
1 121 . 13 1 1 A 12 12 PRO CB C 12 32.180 31.364 0.816 1
1 124 . 13 1 1 A 13 13 THR H H 13 8.304 8.237 0.067 1
1 125 . 13 1 1 A 13 13 THR HA H 13 4.234 4.649 -0.415 1
1 130 . 13 1 1 A 13 13 THR C C 13 175.085 174.720 0.365 1
1 131 . 13 1 1 A 13 13 THR CA C 13 62.770 60.867 1.903 1
1 132 . 13 1 1 A 13 13 THR CB C 13 69.509 68.256 1.253 1
1 134 . 13 1 1 A 13 13 THR N N 13 112.749 114.356 -1.607 1
1 135 . 13 1 1 A 14 14 GLN H H 14 7.963 7.977 -0.014 1
1 136 . 13 1 1 A 14 14 GLN HA H 14 4.282 4.527 -0.245 1
1 141 . 13 1 1 A 14 14 GLN C C 14 175.773 175.708 0.065 1
1 142 . 13 1 1 A 14 14 GLN CA C 14 55.770 55.173 0.597 1
1 143 . 13 1 1 A 14 14 GLN CB C 14 29.440 28.691 0.749 1
1 145 . 13 1 1 A 14 14 GLN N N 14 121.849 125.597 -3.748 1
1 146 . 13 1 1 A 15 15 ALA H H 15 8.150 7.339 0.811 1
1 147 . 13 1 1 A 15 15 ALA HA H 15 4.237 4.277 -0.040 1
1 151 . 13 1 1 A 15 15 ALA C C 15 177.587 176.243 1.344 1
1 152 . 13 1 1 A 15 15 ALA CA C 15 52.750 51.992 0.758 1
1 153 . 13 1 1 A 15 15 ALA CB C 15 19.180 18.574 0.606 1
1 154 . 13 1 1 A 15 15 ALA N N 15 125.125 124.104 1.021 1
1 155 . 13 1 1 A 16 16 ALA H H 16 8.234 8.291 -0.057 1
1 156 . 13 1 1 A 16 16 ALA HA H 16 4.291 4.576 -0.285 1
1 160 . 13 1 1 A 16 16 ALA C C 16 177.741 176.569 1.172 1
1 161 . 13 1 1 A 16 16 ALA CA C 16 52.410 51.175 1.235 1
1 162 . 13 1 1 A 16 16 ALA CB C 16 19.130 19.294 -0.164 1
1 163 . 13 1 1 A 16 16 ALA N N 16 123.189 126.477 -3.288 1
1 164 . 13 1 1 A 17 17 SER H H 17 8.162 8.666 -0.504 1
1 165 . 13 1 1 A 17 17 SER HA H 17 4.431 4.422 0.009 1
1 168 . 13 1 1 A 17 17 SER CA C 17 58.160 60.154 -1.994 1
1 169 . 13 1 1 A 17 17 SER CB C 17 64.030 62.977 1.053 1
1 170 . 13 1 1 A 17 17 SER N N 17 114.762 120.419 -5.657 1
1 171 . 13 1 1 A 18 18 SER H H 18 8.246 8.667 -0.421 1
1 172 . 13 1 1 A 18 18 SER HA H 18 4.747 4.702 0.045 1
1 173 . 13 1 1 A 18 18 SER CA C 18 58.640 56.584 2.056 1
1 174 . 13 1 1 A 18 18 SER N N 18 118.482 123.711 -5.229 1
1 175 . 13 1 1 A 19 19 PRO HA H 19 4.426 4.697 -0.271 1
1 182 . 13 1 1 A 19 19 PRO CA C 19 63.790 62.823 0.967 1
1 183 . 13 1 1 A 19 19 PRO CB C 19 32.220 32.443 -0.223 1
1 186 . 13 1 1 A 20 20 GLY H H 20 8.452 8.469 -0.017 1
1 187 . 13 1 1 A 20 20 GLY HA2 H 20 3.938 4.192 -0.254 1
1 188 . 13 1 1 A 20 20 GLY HA3 H 20 3.938 4.196 -0.258 1
1 189 . 13 1 1 A 20 20 GLY C C 20 174.674 174.108 0.566 1
1 190 . 13 1 1 A 20 20 GLY CA C 20 45.330 45.713 -0.383 1
1 191 . 13 1 1 A 20 20 GLY N N 20 109.329 107.182 2.147 1
1 192 . 13 1 1 A 21 21 GLY H H 21 8.217 8.218 -0.001 1
1 193 . 13 1 1 A 21 21 GLY HA2 H 21 3.946 4.012 -0.066 1
1 194 . 13 1 1 A 21 21 GLY HA3 H 21 3.946 4.013 -0.067 1
1 195 . 13 1 1 A 21 21 GLY C C 21 173.555 173.059 0.496 1
1 196 . 13 1 1 A 21 21 GLY CA C 21 45.390 44.190 1.200 1
1 197 . 13 1 1 A 21 21 GLY N N 21 108.749 108.410 0.339 1
1 198 . 13 1 1 A 22 22 ALA H H 22 8.147 8.229 -0.082 1
1 199 . 13 1 1 A 22 22 ALA HA H 22 4.866 5.018 -0.152 1
1 203 . 13 1 1 A 22 22 ALA C C 22 176.931 177.302 -0.371 1
1 204 . 13 1 1 A 22 22 ALA CA C 22 51.910 50.752 1.158 1
1 205 . 13 1 1 A 22 22 ALA CB C 22 20.490 20.578 -0.088 1
1 206 . 13 1 1 A 22 22 ALA N N 22 124.041 123.792 0.249 1
1 207 . 13 1 1 A 23 23 ARG H H 23 8.699 9.141 -0.442 1
1 208 . 13 1 1 A 23 23 ARG HA H 23 4.641 5.004 -0.363 1
1 215 . 13 1 1 A 23 23 ARG C C 23 173.587 174.554 -0.967 1
1 216 . 13 1 1 A 23 23 ARG CA C 23 55.000 54.439 0.561 1
1 217 . 13 1 1 A 23 23 ARG CB C 23 32.420 33.651 -1.231 1
1 220 . 13 1 1 A 23 23 ARG N N 23 120.753 120.765 -0.012 1
1 221 . 13 1 1 A 24 24 ALA H H 24 8.408 8.927 -0.519 1
1 222 . 13 1 1 A 24 24 ALA HA H 24 5.145 5.174 -0.029 1
1 226 . 13 1 1 A 24 24 ALA C C 24 177.092 176.984 0.108 1
1 227 . 13 1 1 A 24 24 ALA CA C 24 51.160 50.529 0.631 1
1 228 . 13 1 1 A 24 24 ALA CB C 24 21.490 20.552 0.938 1
1 229 . 13 1 1 A 24 24 ALA N N 24 124.606 124.989 -0.383 1
1 230 . 13 1 1 A 25 25 VAL H H 25 8.842 8.979 -0.137 1
1 231 . 13 1 1 A 25 25 VAL HA H 25 4.411 4.909 -0.498 1
1 239 . 13 1 1 A 25 25 VAL C C 25 174.558 174.740 -0.182 1
1 240 . 13 1 1 A 25 25 VAL CA C 25 60.160 59.729 0.431 1
1 241 . 13 1 1 A 25 25 VAL CB C 25 34.450 34.416 0.034 1
1 244 . 13 1 1 A 25 25 VAL N N 25 120.299 118.683 1.616 1
1 245 . 13 1 1 A 26 26 SER H H 26 8.744 8.860 -0.116 1
1 246 . 13 1 1 A 26 26 SER HA H 26 4.747 5.009 -0.262 1
1 249 . 13 1 1 A 26 26 SER C C 26 173.304 173.142 0.162 1
1 250 . 13 1 1 A 26 26 SER CA C 26 58.720 58.073 0.647 1
1 251 . 13 1 1 A 26 26 SER CB C 26 63.910 64.808 -0.898 1
1 252 . 13 1 1 A 26 26 SER N N 26 121.229 121.855 -0.626 1
1 253 . 13 1 1 A 27 27 ILE H H 27 8.716 8.901 -0.185 1
1 254 . 13 1 1 A 27 27 ILE HA H 27 4.360 4.779 -0.419 1
1 264 . 13 1 1 A 27 27 ILE C C 27 175.478 174.508 0.970 1
1 265 . 13 1 1 A 27 27 ILE CA C 27 60.670 60.426 0.244 1
1 266 . 13 1 1 A 27 27 ILE CB C 27 39.210 40.754 -1.544 1
1 270 . 13 1 1 A 27 27 ILE N N 27 124.450 123.631 0.819 1
1 271 . 13 1 1 A 28 28 VAL H H 28 8.426 8.542 -0.116 1
1 272 . 13 1 1 A 28 28 VAL HA H 28 4.298 4.744 -0.446 1
1 280 . 13 1 1 A 28 28 VAL CA C 28 61.850 61.016 0.834 1
1 281 . 13 1 1 A 28 28 VAL CB C 28 32.790 32.359 0.431 1
1 284 . 13 1 1 A 28 28 VAL N N 28 128.723 124.236 4.487 1
1 285 . 13 1 1 A 29 29 GLY H H 29 8.953 8.878 0.075 1
1 286 . 13 1 1 A 29 29 GLY HA2 H 29 3.988 3.895 0.093 1
1 287 . 13 1 1 A 29 29 GLY HA3 H 29 3.725 3.895 -0.170 1
1 288 . 13 1 1 A 29 29 GLY C C 29 176.487 174.339 2.148 1
1 289 . 13 1 1 A 29 29 GLY CA C 29 47.610 46.730 0.880 1
1 290 . 13 1 1 A 29 29 GLY N N 29 120.095 115.655 4.440 1
1 291 . 13 1 1 A 30 30 ASN H H 30 8.566 7.943 0.623 1
1 292 . 13 1 1 A 30 30 ASN HA H 30 4.422 4.945 -0.523 1
1 297 . 13 1 1 A 30 30 ASN C C 30 172.841 174.383 -1.542 1
1 298 . 13 1 1 A 30 30 ASN CA C 30 53.100 52.392 0.708 1
1 299 . 13 1 1 A 30 30 ASN CB C 30 38.630 39.566 -0.936 1
1 300 . 13 1 1 A 30 30 ASN N N 30 120.808 118.195 2.613 1
1 302 . 13 1 1 A 31 31 GLN H H 31 7.713 7.285 0.428 1
1 303 . 13 1 1 A 31 31 GLN HA H 31 5.672 4.975 0.697 1
1 310 . 13 1 1 A 31 31 GLN C C 31 174.828 173.727 1.101 1
1 311 . 13 1 1 A 31 31 GLN CA C 31 54.730 54.075 0.655 1
1 312 . 13 1 1 A 31 31 GLN CB C 31 32.800 31.835 0.965 1
1 314 . 13 1 1 A 31 31 GLN N N 31 118.262 120.412 -2.150 1
1 316 . 13 1 1 A 32 32 ILE H H 32 9.113 9.077 0.036 1
1 317 . 13 1 1 A 32 32 ILE HA H 32 4.454 5.073 -0.619 1
1 327 . 13 1 1 A 32 32 ILE C C 32 173.439 172.931 0.508 1
1 328 . 13 1 1 A 32 32 ILE CA C 32 59.610 59.114 0.496 1
1 329 . 13 1 1 A 32 32 ILE CB C 32 42.350 41.795 0.555 1
1 333 . 13 1 1 A 32 32 ILE N N 32 124.849 127.626 -2.777 1
1 334 . 13 1 1 A 33 33 ASP H H 33 9.066 8.647 0.419 1
1 335 . 13 1 1 A 33 33 ASP HA H 33 5.077 5.025 0.052 1
1 338 . 13 1 1 A 33 33 ASP C C 33 178.378 177.197 1.181 1
1 339 . 13 1 1 A 33 33 ASP CA C 33 53.460 53.941 -0.481 1
1 340 . 13 1 1 A 33 33 ASP CB C 33 43.180 42.945 0.235 1
1 341 . 13 1 1 A 33 33 ASP N N 33 127.594 128.040 -0.446 1
1 342 . 13 1 1 A 34 34 SER H H 34 9.524 9.138 0.386 1
1 343 . 13 1 1 A 34 34 SER HA H 34 3.902 4.295 -0.393 1
1 346 . 13 1 1 A 34 34 SER C C 34 175.876 177.004 -1.128 1
1 347 . 13 1 1 A 34 34 SER CA C 34 61.980 61.445 0.535 1
1 348 . 13 1 1 A 34 34 SER CB C 34 61.510 62.818 -1.308 1
1 349 . 13 1 1 A 34 34 SER N N 34 125.026 121.672 3.354 1
1 350 . 13 1 1 A 35 35 ARG H H 35 9.022 8.055 0.967 1
1 351 . 13 1 1 A 35 35 ARG HA H 35 4.235 4.139 0.096 1
1 358 . 13 1 1 A 35 35 ARG C C 35 178.661 178.625 0.036 1
1 359 . 13 1 1 A 35 35 ARG CA C 35 58.840 59.280 -0.440 1
1 360 . 13 1 1 A 35 35 ARG CB C 35 29.970 29.787 0.183 1
1 363 . 13 1 1 A 35 35 ARG N N 35 122.601 122.402 0.199 1
1 364 . 13 1 1 A 36 36 GLU H H 36 7.689 7.844 -0.155 1
1 365 . 13 1 1 A 36 36 GLU HA H 36 4.202 4.037 0.165 1
1 370 . 13 1 1 A 36 36 GLU C C 36 177.285 179.100 -1.815 1
1 371 . 13 1 1 A 36 36 GLU CA C 36 57.340 58.900 -1.560 1
1 372 . 13 1 1 A 36 36 GLU CB C 36 30.910 29.381 1.529 1
1 374 . 13 1 1 A 36 36 GLU N N 36 115.420 118.798 -3.378 1
1 375 . 13 1 1 A 37 37 LEU H H 37 7.280 8.049 -0.769 1
1 376 . 13 1 1 A 37 37 LEU HA H 37 3.805 3.926 -0.121 1
1 386 . 13 1 1 A 37 37 LEU C C 37 176.410 177.910 -1.500 1
1 387 . 13 1 1 A 37 37 LEU CA C 37 56.790 57.516 -0.726 1
1 388 . 13 1 1 A 37 37 LEU CB C 37 42.510 41.945 0.565 1
1 392 . 13 1 1 A 37 37 LEU N N 37 117.043 119.687 -2.644 1
1 393 . 13 1 1 A 38 38 PHE H H 38 7.431 8.072 -0.641 1
1 394 . 13 1 1 A 38 38 PHE HA H 38 4.884 4.715 0.169 1
1 402 . 13 1 1 A 38 38 PHE C C 38 176.018 176.098 -0.080 1
1 403 . 13 1 1 A 38 38 PHE CA C 38 57.320 57.701 -0.381 1
1 404 . 13 1 1 A 38 38 PHE CB C 38 38.500 38.350 0.150 1
1 408 . 13 1 1 A 38 38 PHE N N 38 115.439 115.103 0.336 1
1 409 . 13 1 1 A 39 39 THR H H 39 7.632 7.704 -0.072 1
1 410 . 13 1 1 A 39 39 THR HA H 39 4.256 4.036 0.220 1
1 415 . 13 1 1 A 39 39 THR C C 39 175.986 175.113 0.873 1
1 416 . 13 1 1 A 39 39 THR CA C 39 62.630 65.127 -2.497 1
1 417 . 13 1 1 A 39 39 THR CB C 39 69.240 69.539 -0.299 1
1 419 . 13 1 1 A 39 39 THR N N 39 112.395 114.825 -2.430 1
1 420 . 13 1 1 A 40 40 VAL H H 40 8.246 7.484 0.762 1
1 421 . 13 1 1 A 40 40 VAL HA H 40 4.121 4.366 -0.245 1
1 429 . 13 1 1 A 40 40 VAL C C 40 175.233 174.111 1.122 1
1 430 . 13 1 1 A 40 40 VAL CA C 40 63.340 60.844 2.496 1
1 431 . 13 1 1 A 40 40 VAL CB C 40 32.870 32.130 0.740 1
1 434 . 13 1 1 A 40 40 VAL N N 40 118.329 114.480 3.849 1
1 435 . 13 1 1 A 41 41 ASP H H 41 8.048 8.452 -0.404 1
1 436 . 13 1 1 A 41 41 ASP HA H 41 4.792 5.086 -0.294 1
1 439 . 13 1 1 A 41 41 ASP CA C 41 53.950 53.737 0.213 1
1 440 . 13 1 1 A 41 41 ASP CB C 41 43.630 43.967 -0.337 1
1 441 . 13 1 1 A 41 41 ASP N N 41 120.465 124.809 -4.344 1
1 442 . 13 1 1 A 42 42 ARG H H 42 8.639 8.711 -0.072 1
1 443 . 13 1 1 A 42 42 ARG HA H 42 4.157 4.705 -0.548 1
1 450 . 13 1 1 A 42 42 ARG C C 42 173.606 175.630 -2.024 1
1 451 . 13 1 1 A 42 42 ARG CA C 42 56.340 56.198 0.142 1
1 452 . 13 1 1 A 42 42 ARG CB C 42 29.930 32.576 -2.646 1
1 455 . 13 1 1 A 42 42 ARG N N 42 116.578 123.543 -6.965 1
1 456 . 13 1 1 A 43 43 GLU H H 43 7.452 8.026 -0.574 1
1 457 . 13 1 1 A 43 43 GLU HA H 43 5.413 5.337 0.076 1
1 462 . 13 1 1 A 43 43 GLU C C 43 174.192 174.317 -0.125 1
1 463 . 13 1 1 A 43 43 GLU CA C 43 55.100 55.946 -0.846 1
1 464 . 13 1 1 A 43 43 GLU CB C 43 34.110 33.257 0.853 1
1 466 . 13 1 1 A 43 43 GLU N N 43 116.369 118.390 -2.021 1
1 467 . 13 1 1 A 44 44 ILE H H 44 9.056 9.618 -0.562 1
1 468 . 13 1 1 A 44 44 ILE HA H 44 4.696 4.995 -0.299 1
1 478 . 13 1 1 A 44 44 ILE C C 44 173.831 174.541 -0.710 1
1 479 . 13 1 1 A 44 44 ILE CA C 44 58.070 59.701 -1.631 1
1 480 . 13 1 1 A 44 44 ILE CB C 44 41.140 41.145 -0.005 1
1 484 . 13 1 1 A 44 44 ILE N N 44 123.963 127.230 -3.267 1
1 485 . 13 1 1 A 45 45 VAL H H 45 8.740 9.102 -0.362 1
1 486 . 13 1 1 A 45 45 VAL HA H 45 4.850 4.682 0.168 1
1 494 . 13 1 1 A 45 45 VAL C C 45 175.175 175.344 -0.169 1
1 495 . 13 1 1 A 45 45 VAL CA C 45 60.990 61.359 -0.369 1
1 496 . 13 1 1 A 45 45 VAL CB C 45 33.810 33.631 0.179 1
1 499 . 13 1 1 A 45 45 VAL N N 45 126.299 127.043 -0.744 1
1 500 . 13 1 1 A 46 46 ILE H H 46 9.367 9.374 -0.007 1
1 501 . 13 1 1 A 46 46 ILE HA H 46 4.830 4.816 0.014 1
1 511 . 13 1 1 A 46 46 ILE C C 46 175.433 174.980 0.453 1
1 512 . 13 1 1 A 46 46 ILE CA C 46 59.350 60.613 -1.263 1
1 513 . 13 1 1 A 46 46 ILE CB C 46 39.410 40.318 -0.908 1
1 517 . 13 1 1 A 46 46 ILE N N 46 126.797 127.172 -0.375 1
1 518 . 13 1 1 A 47 47 ALA H H 47 9.173 8.849 0.324 1
1 519 . 13 1 1 A 47 47 ALA HA H 47 4.790 4.893 -0.103 1
1 523 . 13 1 1 A 47 47 ALA C C 47 175.394 176.889 -1.495 1
1 524 . 13 1 1 A 47 47 ALA CA C 47 51.500 52.022 -0.522 1
1 525 . 13 1 1 A 47 47 ALA CB C 47 19.020 19.732 -0.712 1
1 526 . 13 1 1 A 47 47 ALA N N 47 131.668 131.101 0.567 1
1 527 . 13 1 1 A 48 48 HIS H H 48 8.473 9.058 -0.585 1
1 528 . 13 1 1 A 48 48 HIS HA H 48 5.394 4.896 0.498 1
1 533 . 13 1 1 A 48 48 HIS C C 48 175.182 175.172 0.010 1
1 534 . 13 1 1 A 48 48 HIS CA C 48 54.520 55.483 -0.963 1
1 535 . 13 1 1 A 48 48 HIS CB C 48 33.190 31.815 1.375 1
1 538 . 13 1 1 A 48 48 HIS N N 48 126.144 122.805 3.339 1
1 539 . 13 1 1 A 49 49 GLY H H 49 8.847 8.866 -0.019 1
1 540 . 13 1 1 A 49 49 GLY HA2 H 49 3.795 3.566 0.229 1
1 541 . 13 1 1 A 49 49 GLY HA3 H 49 3.549 3.635 -0.086 1
1 542 . 13 1 1 A 49 49 GLY CA C 49 46.950 47.144 -0.194 1
1 543 . 13 1 1 A 49 49 GLY N N 49 117.318 115.982 1.336 1
1 544 . 13 1 1 A 50 50 ASP HA H 50 4.639 4.624 0.015 1
1 547 . 13 1 1 A 50 50 ASP C C 50 175.825 175.123 0.702 1
1 548 . 13 1 1 A 50 50 ASP CA C 50 55.070 54.777 0.293 1
1 549 . 13 1 1 A 50 50 ASP CB C 50 31.070 41.476 -10.406 1
1 550 . 13 1 1 A 51 51 ASP H H 51 8.166 7.409 0.757 1
1 551 . 13 1 1 A 51 51 ASP HA H 51 4.810 4.881 -0.071 1
1 554 . 13 1 1 A 51 51 ASP C C 51 176.635 174.759 1.876 1
1 555 . 13 1 1 A 51 51 ASP CA C 51 53.950 53.230 0.720 1
1 556 . 13 1 1 A 51 51 ASP CB C 51 43.250 43.341 -0.091 1
1 557 . 13 1 1 A 51 51 ASP N N 51 120.310 119.619 0.691 1
1 558 . 13 1 1 A 52 52 ARG H H 52 8.784 8.311 0.473 1
1 559 . 13 1 1 A 52 52 ARG HA H 52 4.970 5.292 -0.322 1
1 566 . 13 1 1 A 52 52 ARG C C 52 174.757 174.705 0.052 1
1 567 . 13 1 1 A 52 52 ARG CA C 52 54.250 54.647 -0.397 1
1 568 . 13 1 1 A 52 52 ARG CB C 52 31.440 33.690 -2.250 1
1 571 . 13 1 1 A 52 52 ARG N N 52 123.348 122.481 0.867 1
1 572 . 13 1 1 A 53 53 TYR H H 53 8.850 9.552 -0.702 1
1 573 . 13 1 1 A 53 53 TYR HA H 53 4.806 5.276 -0.470 1
1 580 . 13 1 1 A 53 53 TYR C C 53 174.989 175.108 -0.119 1
1 581 . 13 1 1 A 53 53 TYR CA C 53 56.850 56.947 -0.097 1
1 582 . 13 1 1 A 53 53 TYR CB C 53 41.480 42.883 -1.403 1
1 585 . 13 1 1 A 53 53 TYR N N 53 122.391 123.401 -1.010 1
1 586 . 13 1 1 A 54 54 ARG H H 54 9.387 8.779 0.608 1
1 587 . 13 1 1 A 54 54 ARG HA H 54 4.936 5.357 -0.421 1
1 594 . 13 1 1 A 54 54 ARG C C 54 174.076 174.189 -0.113 1
1 595 . 13 1 1 A 54 54 ARG CA C 54 55.100 54.758 0.342 1
1 596 . 13 1 1 A 54 54 ARG CB C 54 31.750 33.761 -2.011 1
1 599 . 13 1 1 A 54 54 ARG N N 54 120.797 119.818 0.979 1
1 600 . 13 1 1 A 55 55 LEU H H 55 9.271 9.312 -0.041 1
1 601 . 13 1 1 A 55 55 LEU HA H 55 5.237 5.217 0.020 1
1 611 . 13 1 1 A 55 55 LEU C C 55 174.841 175.124 -0.283 1
1 612 . 13 1 1 A 55 55 LEU CA C 55 53.590 54.031 -0.441 1
1 613 . 13 1 1 A 55 55 LEU CB C 55 43.470 44.291 -0.821 1
1 617 . 13 1 1 A 55 55 LEU N N 55 128.735 127.218 1.517 1
1 618 . 13 1 1 A 56 56 ARG H H 56 9.000 9.233 -0.233 1
1 619 . 13 1 1 A 56 56 ARG HA H 56 5.110 5.233 -0.123 1
1 626 . 13 1 1 A 56 56 ARG C C 56 173.413 173.307 0.106 1
1 627 . 13 1 1 A 56 56 ARG CA C 56 54.440 54.289 0.151 1
1 628 . 13 1 1 A 56 56 ARG CB C 56 34.540 33.924 0.616 1
1 631 . 13 1 1 A 56 56 ARG N N 56 125.280 128.632 -3.352 1
1 632 . 13 1 1 A 57 57 LEU H H 57 7.631 8.432 -0.801 1
1 633 . 13 1 1 A 57 57 LEU HA H 57 4.667 4.779 -0.112 1
1 643 . 13 1 1 A 57 57 LEU C C 57 177.709 176.534 1.175 1
1 644 . 13 1 1 A 57 57 LEU CA C 57 52.710 52.886 -0.176 1
1 645 . 13 1 1 A 57 57 LEU CB C 57 42.480 43.861 -1.381 1
1 649 . 13 1 1 A 57 57 LEU N N 57 122.967 127.025 -4.058 1
1 650 . 13 1 1 A 58 58 THR H H 58 9.001 8.824 0.177 1
1 651 . 13 1 1 A 58 58 THR HA H 58 4.508 4.586 -0.078 1
1 656 . 13 1 1 A 58 58 THR CA C 58 60.440 60.286 0.154 1
1 657 . 13 1 1 A 58 58 THR CB C 58 71.960 71.305 0.655 1
1 659 . 13 1 1 A 58 58 THR N N 58 116.533 115.354 1.179 1
1 660 . 13 1 1 A 60 60 GLN HA H 60 4.433 4.479 -0.046 1
1 665 . 13 1 1 A 60 60 GLN C C 60 174.738 177.552 -2.814 1
1 666 . 13 1 1 A 60 60 GLN CA C 60 55.280 56.504 -1.224 1
1 667 . 13 1 1 A 60 60 GLN CB C 60 28.190 30.554 -2.364 1
1 669 . 13 1 1 A 61 61 ASN H H 61 8.333 8.227 0.106 1
1 670 . 13 1 1 A 61 61 ASN HA H 61 4.262 4.611 -0.349 1
1 675 . 13 1 1 A 61 61 ASN C C 61 174.725 174.965 -0.240 1
1 676 . 13 1 1 A 61 61 ASN CA C 61 54.130 55.414 -1.284 1
1 677 . 13 1 1 A 61 61 ASN CB C 61 37.560 38.725 -1.165 1
1 678 . 13 1 1 A 61 61 ASN N N 61 116.480 117.995 -1.515 1
1 680 . 13 1 1 A 62 62 LYS H H 62 7.111 7.933 -0.822 1
1 681 . 13 1 1 A 62 62 LYS HA H 62 4.520 4.580 -0.060 1
1 690 . 13 1 1 A 62 62 LYS C C 62 174.057 173.920 0.137 1
1 691 . 13 1 1 A 62 62 LYS CA C 62 53.930 55.026 -1.096 1
1 692 . 13 1 1 A 62 62 LYS CB C 62 34.060 33.166 0.894 1
1 696 . 13 1 1 A 62 62 LYS N N 62 116.535 113.749 2.786 1
1 697 . 13 1 1 A 63 63 LEU H H 63 6.706 8.490 -1.784 1
1 698 . 13 1 1 A 63 63 LEU HA H 63 5.093 5.328 -0.235 1
1 708 . 13 1 1 A 63 63 LEU C C 63 175.503 175.475 0.028 1
1 709 . 13 1 1 A 63 63 LEU CA C 63 53.330 52.612 0.718 1
1 710 . 13 1 1 A 63 63 LEU CB C 63 43.280 46.146 -2.866 1
1 714 . 13 1 1 A 63 63 LEU N N 63 119.236 114.366 4.870 1
1 715 . 13 1 1 A 64 64 ILE H H 64 8.471 8.861 -0.390 1
1 716 . 13 1 1 A 64 64 ILE HA H 64 4.429 4.950 -0.521 1
1 726 . 13 1 1 A 64 64 ILE C C 64 172.642 173.740 -1.098 1
1 727 . 13 1 1 A 64 64 ILE CA C 64 59.520 58.944 0.576 1
1 728 . 13 1 1 A 64 64 ILE CB C 64 42.740 42.327 0.413 1
1 732 . 13 1 1 A 64 64 ILE N N 64 116.258 116.059 0.199 1
1 733 . 13 1 1 A 65 65 LEU H H 65 8.429 8.876 -0.447 1
1 734 . 13 1 1 A 65 65 LEU HA H 65 5.543 5.313 0.230 1
1 744 . 13 1 1 A 65 65 LEU C C 65 176.050 174.910 1.140 1
1 745 . 13 1 1 A 65 65 LEU CA C 65 53.230 53.409 -0.179 1
1 746 . 13 1 1 A 65 65 LEU CB C 65 46.610 45.026 1.584 1
1 750 . 13 1 1 A 65 65 LEU N N 65 125.259 124.581 0.678 1
1 751 . 13 1 1 A 66 66 THR H H 66 9.302 8.696 0.606 1
1 752 . 13 1 1 A 66 66 THR HA H 66 4.905 4.908 -0.003 1
1 757 . 13 1 1 A 66 66 THR C C 66 172.436 172.133 0.303 1
1 758 . 13 1 1 A 66 66 THR CA C 66 59.850 60.515 -0.665 1
1 759 . 13 1 1 A 66 66 THR CB C 66 71.650 70.206 1.444 1
1 761 . 13 1 1 A 66 66 THR N N 66 121.417 118.427 2.990 1
1 7 . 14 1 1 A 2 2 MET H H 2 8.334 7.978 0.356 1
1 8 . 14 1 1 A 2 2 MET HA H 2 4.432 4.744 -0.312 1
1 16 . 14 1 1 A 2 2 MET C C 2 176.391 176.291 0.100 1
1 17 . 14 1 1 A 2 2 MET CA C 2 55.880 54.501 1.379 1
1 18 . 14 1 1 A 2 2 MET CB C 2 32.400 33.915 -1.515 1
1 21 . 14 1 1 A 2 2 MET N N 2 121.118 119.391 1.727 1
1 22 . 14 1 1 A 3 3 THR H H 3 8.177 7.772 0.405 1
1 23 . 14 1 1 A 3 3 THR HA H 3 4.338 3.974 0.364 1
1 28 . 14 1 1 A 3 3 THR C C 3 174.455 175.556 -1.101 1
1 29 . 14 1 1 A 3 3 THR CA C 3 61.410 65.981 -4.571 1
1 30 . 14 1 1 A 3 3 THR CB C 3 69.710 68.540 1.170 1
1 32 . 14 1 1 A 3 3 THR N N 3 115.029 114.882 0.147 1
1 33 . 14 1 1 A 4 4 ALA H H 4 8.429 7.695 0.734 1
1 34 . 14 1 1 A 4 4 ALA HA H 4 4.303 4.345 -0.042 1
1 38 . 14 1 1 A 4 4 ALA C C 4 178.127 177.177 0.950 1
1 39 . 14 1 1 A 4 4 ALA CA C 4 52.580 51.469 1.111 1
1 40 . 14 1 1 A 4 4 ALA CB C 4 19.370 18.308 1.062 1
1 41 . 14 1 1 A 4 4 ALA N N 4 126.222 122.159 4.063 1
1 42 . 14 1 1 A 5 5 SER H H 5 8.257 8.399 -0.142 1
1 43 . 14 1 1 A 5 5 SER HA H 5 4.352 4.768 -0.416 1
1 46 . 14 1 1 A 5 5 SER C C 5 174.687 173.268 1.419 1
1 47 . 14 1 1 A 5 5 SER CA C 5 58.790 57.319 1.471 1
1 48 . 14 1 1 A 5 5 SER CB C 5 63.720 64.132 -0.412 1
1 49 . 14 1 1 A 5 5 SER N N 5 114.762 121.048 -6.286 1
1 50 . 14 1 1 A 6 6 ASP H H 6 8.186 7.706 0.480 1
1 51 . 14 1 1 A 6 6 ASP HA H 6 4.547 4.605 -0.058 1
1 54 . 14 1 1 A 6 6 ASP C C 6 176.423 175.428 0.995 1
1 55 . 14 1 1 A 6 6 ASP CA C 6 54.760 53.935 0.825 1
1 56 . 14 1 1 A 6 6 ASP CB C 6 41.110 41.294 -0.184 1
1 57 . 14 1 1 A 6 6 ASP N N 6 122.104 122.866 -0.762 1
1 58 . 14 1 1 A 7 7 ARG H H 7 8.063 8.405 -0.342 1
1 59 . 14 1 1 A 7 7 ARG HA H 7 4.276 4.365 -0.089 1
1 66 . 14 1 1 A 7 7 ARG C C 7 176.455 174.887 1.568 1
1 67 . 14 1 1 A 7 7 ARG CA C 7 56.310 55.750 0.560 1
1 68 . 14 1 1 A 7 7 ARG CB C 7 30.470 29.427 1.043 1
1 71 . 14 1 1 A 7 7 ARG N N 7 120.343 124.249 -3.906 1
1 72 . 14 1 1 A 8 8 LEU H H 8 8.157 8.434 -0.277 1
1 73 . 14 1 1 A 8 8 LEU HA H 8 4.288 4.229 0.059 1
1 83 . 14 1 1 A 8 8 LEU C C 8 177.940 177.629 0.311 1
1 84 . 14 1 1 A 8 8 LEU CA C 8 55.630 55.642 -0.012 1
1 85 . 14 1 1 A 8 8 LEU CB C 8 42.540 40.294 2.246 1
1 89 . 14 1 1 A 8 8 LEU N N 8 122.546 127.518 -4.972 1
1 90 . 14 1 1 A 9 9 GLY H H 9 8.290 8.411 -0.121 1
1 91 . 14 1 1 A 9 9 GLY HA2 H 9 3.896 4.081 -0.185 1
1 92 . 14 1 1 A 9 9 GLY HA3 H 9 3.896 4.081 -0.185 1
1 93 . 14 1 1 A 9 9 GLY C C 9 173.664 174.364 -0.700 1
1 94 . 14 1 1 A 9 9 GLY CA C 9 45.320 45.371 -0.051 1
1 95 . 14 1 1 A 9 9 GLY N N 9 109.549 113.365 -3.816 1
1 96 . 14 1 1 A 10 10 ALA H H 10 7.980 7.757 0.223 1
1 97 . 14 1 1 A 10 10 ALA HA H 10 4.276 4.496 -0.220 1
1 101 . 14 1 1 A 10 10 ALA C C 10 177.182 175.766 1.416 1
1 102 . 14 1 1 A 10 10 ALA CA C 10 52.130 50.822 1.308 1
1 103 . 14 1 1 A 10 10 ALA CB C 10 19.460 19.527 -0.067 1
1 104 . 14 1 1 A 10 10 ALA N N 10 123.266 123.317 -0.051 1
1 105 . 14 1 1 A 11 11 ASP H H 11 8.292 8.958 -0.666 1
1 106 . 14 1 1 A 11 11 ASP HA H 11 4.840 5.492 -0.652 1
1 109 . 14 1 1 A 11 11 ASP CA C 11 51.950 51.579 0.371 1
1 110 . 14 1 1 A 11 11 ASP CB C 11 41.320 42.773 -1.453 1
1 111 . 14 1 1 A 11 11 ASP N N 11 120.930 122.118 -1.188 1
1 112 . 14 1 1 A 12 12 PRO HA H 12 4.450 4.775 -0.325 1
1 119 . 14 1 1 A 12 12 PRO C C 12 177.670 175.447 2.223 1
1 120 . 14 1 1 A 12 12 PRO CA C 12 63.940 62.739 1.201 1
1 121 . 14 1 1 A 12 12 PRO CB C 12 32.180 33.240 -1.060 1
1 124 . 14 1 1 A 13 13 THR H H 13 8.304 8.583 -0.279 1
1 125 . 14 1 1 A 13 13 THR HA H 13 4.234 4.912 -0.678 1
1 130 . 14 1 1 A 13 13 THR C C 13 175.085 172.586 2.499 1
1 131 . 14 1 1 A 13 13 THR CA C 13 62.770 60.979 1.791 1
1 132 . 14 1 1 A 13 13 THR CB C 13 69.509 71.721 -2.212 1
1 134 . 14 1 1 A 13 13 THR N N 13 112.749 116.646 -3.897 1
1 135 . 14 1 1 A 14 14 GLN H H 14 7.963 8.404 -0.441 1
1 136 . 14 1 1 A 14 14 GLN HA H 14 4.282 4.643 -0.361 1
1 141 . 14 1 1 A 14 14 GLN C C 14 175.773 175.349 0.424 1
1 142 . 14 1 1 A 14 14 GLN CA C 14 55.770 55.885 -0.115 1
1 143 . 14 1 1 A 14 14 GLN CB C 14 29.440 30.612 -1.172 1
1 145 . 14 1 1 A 14 14 GLN N N 14 121.849 127.072 -5.223 1
1 146 . 14 1 1 A 15 15 ALA H H 15 8.150 8.779 -0.629 1
1 147 . 14 1 1 A 15 15 ALA HA H 15 4.237 4.725 -0.488 1
1 151 . 14 1 1 A 15 15 ALA C C 15 177.587 177.519 0.068 1
1 152 . 14 1 1 A 15 15 ALA CA C 15 52.750 51.011 1.739 1
1 153 . 14 1 1 A 15 15 ALA CB C 15 19.180 19.585 -0.405 1
1 154 . 14 1 1 A 15 15 ALA N N 15 125.125 128.180 -3.055 1
1 155 . 14 1 1 A 16 16 ALA H H 16 8.234 7.387 0.847 1
1 156 . 14 1 1 A 16 16 ALA HA H 16 4.291 4.143 0.148 1
1 160 . 14 1 1 A 16 16 ALA C C 16 177.741 176.665 1.076 1
1 161 . 14 1 1 A 16 16 ALA CA C 16 52.410 52.306 0.104 1
1 162 . 14 1 1 A 16 16 ALA CB C 16 19.130 18.581 0.549 1
1 163 . 14 1 1 A 16 16 ALA N N 16 123.189 121.689 1.500 1
1 164 . 14 1 1 A 17 17 SER H H 17 8.162 8.744 -0.582 1
1 165 . 14 1 1 A 17 17 SER HA H 17 4.431 5.086 -0.655 1
1 168 . 14 1 1 A 17 17 SER CA C 17 58.160 58.316 -0.156 1
1 169 . 14 1 1 A 17 17 SER CB C 17 64.030 64.357 -0.327 1
1 170 . 14 1 1 A 17 17 SER N N 17 114.762 121.954 -7.192 1
1 171 . 14 1 1 A 18 18 SER H H 18 8.246 8.626 -0.380 1
1 172 . 14 1 1 A 18 18 SER HA H 18 4.747 4.952 -0.205 1
1 173 . 14 1 1 A 18 18 SER CA C 18 58.640 55.999 2.641 1
1 174 . 14 1 1 A 18 18 SER N N 18 118.482 120.599 -2.117 1
1 175 . 14 1 1 A 19 19 PRO HA H 19 4.426 4.759 -0.333 1
1 182 . 14 1 1 A 19 19 PRO CA C 19 63.790 62.053 1.737 1
1 183 . 14 1 1 A 19 19 PRO CB C 19 32.220 33.136 -0.916 1
1 186 . 14 1 1 A 20 20 GLY H H 20 8.452 8.741 -0.289 1
1 187 . 14 1 1 A 20 20 GLY HA2 H 20 3.938 3.851 0.087 1
1 188 . 14 1 1 A 20 20 GLY HA3 H 20 3.938 3.852 0.086 1
1 189 . 14 1 1 A 20 20 GLY C C 20 174.674 174.821 -0.147 1
1 190 . 14 1 1 A 20 20 GLY CA C 20 45.330 47.118 -1.788 1
1 191 . 14 1 1 A 20 20 GLY N N 20 109.329 106.991 2.338 1
1 192 . 14 1 1 A 21 21 GLY H H 21 8.217 7.855 0.362 1
1 193 . 14 1 1 A 21 21 GLY HA2 H 21 3.946 3.872 0.074 1
1 194 . 14 1 1 A 21 21 GLY HA3 H 21 3.946 3.872 0.074 1
1 195 . 14 1 1 A 21 21 GLY C C 21 173.555 173.958 -0.403 1
1 196 . 14 1 1 A 21 21 GLY CA C 21 45.390 46.898 -1.508 1
1 197 . 14 1 1 A 21 21 GLY N N 21 108.749 106.551 2.198 1
1 198 . 14 1 1 A 22 22 ALA H H 22 8.147 8.107 0.040 1
1 199 . 14 1 1 A 22 22 ALA HA H 22 4.866 4.756 0.110 1
1 203 . 14 1 1 A 22 22 ALA C C 22 176.931 177.407 -0.476 1
1 204 . 14 1 1 A 22 22 ALA CA C 22 51.910 51.077 0.833 1
1 205 . 14 1 1 A 22 22 ALA CB C 22 20.490 20.108 0.382 1
1 206 . 14 1 1 A 22 22 ALA N N 22 124.041 125.415 -1.374 1
1 207 . 14 1 1 A 23 23 ARG H H 23 8.699 9.088 -0.389 1
1 208 . 14 1 1 A 23 23 ARG HA H 23 4.641 5.003 -0.362 1
1 215 . 14 1 1 A 23 23 ARG C C 23 173.587 174.194 -0.607 1
1 216 . 14 1 1 A 23 23 ARG CA C 23 55.000 54.248 0.752 1
1 217 . 14 1 1 A 23 23 ARG CB C 23 32.420 33.616 -1.196 1
1 220 . 14 1 1 A 23 23 ARG N N 23 120.753 119.489 1.264 1
1 221 . 14 1 1 A 24 24 ALA H H 24 8.408 8.750 -0.342 1
1 222 . 14 1 1 A 24 24 ALA HA H 24 5.145 5.358 -0.213 1
1 226 . 14 1 1 A 24 24 ALA C C 24 177.092 176.726 0.366 1
1 227 . 14 1 1 A 24 24 ALA CA C 24 51.160 50.342 0.818 1
1 228 . 14 1 1 A 24 24 ALA CB C 24 21.490 20.834 0.656 1
1 229 . 14 1 1 A 24 24 ALA N N 24 124.606 123.320 1.286 1
1 230 . 14 1 1 A 25 25 VAL H H 25 8.842 9.054 -0.212 1
1 231 . 14 1 1 A 25 25 VAL HA H 25 4.411 4.877 -0.466 1
1 239 . 14 1 1 A 25 25 VAL C C 25 174.558 175.320 -0.762 1
1 240 . 14 1 1 A 25 25 VAL CA C 25 60.160 59.503 0.657 1
1 241 . 14 1 1 A 25 25 VAL CB C 25 34.450 34.593 -0.143 1
1 244 . 14 1 1 A 25 25 VAL N N 25 120.299 117.947 2.352 1
1 245 . 14 1 1 A 26 26 SER H H 26 8.744 8.615 0.129 1
1 246 . 14 1 1 A 26 26 SER HA H 26 4.747 5.245 -0.498 1
1 249 . 14 1 1 A 26 26 SER C C 26 173.304 174.129 -0.825 1
1 250 . 14 1 1 A 26 26 SER CA C 26 58.720 56.142 2.578 1
1 251 . 14 1 1 A 26 26 SER CB C 26 63.910 65.430 -1.520 1
1 252 . 14 1 1 A 26 26 SER N N 26 121.229 118.848 2.381 1
1 253 . 14 1 1 A 27 27 ILE H H 27 8.716 8.942 -0.226 1
1 254 . 14 1 1 A 27 27 ILE HA H 27 4.360 4.766 -0.406 1
1 264 . 14 1 1 A 27 27 ILE C C 27 175.478 174.551 0.927 1
1 265 . 14 1 1 A 27 27 ILE CA C 27 60.670 60.322 0.348 1
1 266 . 14 1 1 A 27 27 ILE CB C 27 39.210 40.407 -1.197 1
1 270 . 14 1 1 A 27 27 ILE N N 27 124.450 122.937 1.513 1
1 271 . 14 1 1 A 28 28 VAL H H 28 8.426 8.764 -0.338 1
1 272 . 14 1 1 A 28 28 VAL HA H 28 4.298 4.547 -0.249 1
1 280 . 14 1 1 A 28 28 VAL CA C 28 61.850 61.664 0.186 1
1 281 . 14 1 1 A 28 28 VAL CB C 28 32.790 31.877 0.913 1
1 284 . 14 1 1 A 28 28 VAL N N 28 128.723 124.568 4.155 1
1 285 . 14 1 1 A 29 29 GLY H H 29 8.953 8.912 0.041 1
1 286 . 14 1 1 A 29 29 GLY HA2 H 29 3.988 3.853 0.135 1
1 287 . 14 1 1 A 29 29 GLY HA3 H 29 3.725 3.854 -0.129 1
1 288 . 14 1 1 A 29 29 GLY C C 29 176.487 174.234 2.253 1
1 289 . 14 1 1 A 29 29 GLY CA C 29 47.610 47.341 0.269 1
1 290 . 14 1 1 A 29 29 GLY N N 29 120.095 115.774 4.321 1
1 291 . 14 1 1 A 30 30 ASN H H 30 8.566 8.229 0.337 1
1 292 . 14 1 1 A 30 30 ASN HA H 30 4.422 4.961 -0.539 1
1 297 . 14 1 1 A 30 30 ASN C C 30 172.841 174.286 -1.445 1
1 298 . 14 1 1 A 30 30 ASN CA C 30 53.100 52.262 0.838 1
1 299 . 14 1 1 A 30 30 ASN CB C 30 38.630 39.660 -1.030 1
1 300 . 14 1 1 A 30 30 ASN N N 30 120.808 119.771 1.037 1
1 302 . 14 1 1 A 31 31 GLN H H 31 7.713 7.272 0.441 1
1 303 . 14 1 1 A 31 31 GLN HA H 31 5.672 5.002 0.670 1
1 310 . 14 1 1 A 31 31 GLN C C 31 174.828 173.520 1.308 1
1 311 . 14 1 1 A 31 31 GLN CA C 31 54.730 54.258 0.472 1
1 312 . 14 1 1 A 31 31 GLN CB C 31 32.800 31.883 0.917 1
1 314 . 14 1 1 A 31 31 GLN N N 31 118.262 120.225 -1.963 1
1 316 . 14 1 1 A 32 32 ILE H H 32 9.113 8.919 0.194 1
1 317 . 14 1 1 A 32 32 ILE HA H 32 4.454 4.888 -0.434 1
1 327 . 14 1 1 A 32 32 ILE C C 32 173.439 173.726 -0.287 1
1 328 . 14 1 1 A 32 32 ILE CA C 32 59.610 59.353 0.257 1
1 329 . 14 1 1 A 32 32 ILE CB C 32 42.350 41.533 0.817 1
1 333 . 14 1 1 A 32 32 ILE N N 32 124.849 128.130 -3.281 1
1 334 . 14 1 1 A 33 33 ASP H H 33 9.066 8.587 0.479 1
1 335 . 14 1 1 A 33 33 ASP HA H 33 5.077 5.010 0.067 1
1 338 . 14 1 1 A 33 33 ASP C C 33 178.378 176.757 1.621 1
1 339 . 14 1 1 A 33 33 ASP CA C 33 53.460 52.954 0.506 1
1 340 . 14 1 1 A 33 33 ASP CB C 33 43.180 42.925 0.255 1
1 341 . 14 1 1 A 33 33 ASP N N 33 127.594 128.846 -1.252 1
1 342 . 14 1 1 A 34 34 SER H H 34 9.524 9.225 0.299 1
1 343 . 14 1 1 A 34 34 SER HA H 34 3.902 4.261 -0.359 1
1 346 . 14 1 1 A 34 34 SER C C 34 175.876 176.295 -0.419 1
1 347 . 14 1 1 A 34 34 SER CA C 34 61.980 61.220 0.760 1
1 348 . 14 1 1 A 34 34 SER CB C 34 61.510 62.672 -1.162 1
1 349 . 14 1 1 A 34 34 SER N N 34 125.026 120.530 4.496 1
1 350 . 14 1 1 A 35 35 ARG H H 35 9.022 7.872 1.150 1
1 351 . 14 1 1 A 35 35 ARG HA H 35 4.235 4.130 0.105 1
1 358 . 14 1 1 A 35 35 ARG C C 35 178.661 178.617 0.044 1
1 359 . 14 1 1 A 35 35 ARG CA C 35 58.840 59.115 -0.275 1
1 360 . 14 1 1 A 35 35 ARG CB C 35 29.970 29.785 0.185 1
1 363 . 14 1 1 A 35 35 ARG N N 35 122.601 121.772 0.829 1
1 364 . 14 1 1 A 36 36 GLU H H 36 7.689 7.884 -0.195 1
1 365 . 14 1 1 A 36 36 GLU HA H 36 4.202 4.072 0.130 1
1 370 . 14 1 1 A 36 36 GLU C C 36 177.285 179.255 -1.970 1
1 371 . 14 1 1 A 36 36 GLU CA C 36 57.340 58.895 -1.555 1
1 372 . 14 1 1 A 36 36 GLU CB C 36 30.910 29.322 1.588 1
1 374 . 14 1 1 A 36 36 GLU N N 36 115.420 118.778 -3.358 1
1 375 . 14 1 1 A 37 37 LEU H H 37 7.280 8.160 -0.880 1
1 376 . 14 1 1 A 37 37 LEU HA H 37 3.805 3.940 -0.135 1
1 386 . 14 1 1 A 37 37 LEU C C 37 176.410 177.962 -1.552 1
1 387 . 14 1 1 A 37 37 LEU CA C 37 56.790 57.764 -0.974 1
1 388 . 14 1 1 A 37 37 LEU CB C 37 42.510 41.791 0.719 1
1 392 . 14 1 1 A 37 37 LEU N N 37 117.043 119.741 -2.698 1
1 393 . 14 1 1 A 38 38 PHE H H 38 7.431 8.021 -0.590 1
1 394 . 14 1 1 A 38 38 PHE HA H 38 4.884 4.717 0.167 1
1 402 . 14 1 1 A 38 38 PHE C C 38 176.018 176.091 -0.073 1
1 403 . 14 1 1 A 38 38 PHE CA C 38 57.320 57.643 -0.323 1
1 404 . 14 1 1 A 38 38 PHE CB C 38 38.500 38.496 0.004 1
1 408 . 14 1 1 A 38 38 PHE N N 38 115.439 115.016 0.423 1
1 409 . 14 1 1 A 39 39 THR H H 39 7.632 7.698 -0.066 1
1 410 . 14 1 1 A 39 39 THR HA H 39 4.256 4.077 0.179 1
1 415 . 14 1 1 A 39 39 THR C C 39 175.986 175.539 0.447 1
1 416 . 14 1 1 A 39 39 THR CA C 39 62.630 65.076 -2.446 1
1 417 . 14 1 1 A 39 39 THR CB C 39 69.240 68.977 0.263 1
1 419 . 14 1 1 A 39 39 THR N N 39 112.395 115.444 -3.049 1
1 420 . 14 1 1 A 40 40 VAL H H 40 8.246 7.834 0.412 1
1 421 . 14 1 1 A 40 40 VAL HA H 40 4.121 4.188 -0.067 1
1 429 . 14 1 1 A 40 40 VAL C C 40 175.233 175.809 -0.576 1
1 430 . 14 1 1 A 40 40 VAL CA C 40 63.340 63.543 -0.203 1
1 431 . 14 1 1 A 40 40 VAL CB C 40 32.870 34.127 -1.257 1
1 434 . 14 1 1 A 40 40 VAL N N 40 118.329 118.489 -0.160 1
1 435 . 14 1 1 A 41 41 ASP H H 41 8.048 7.746 0.302 1
1 436 . 14 1 1 A 41 41 ASP HA H 41 4.792 4.720 0.072 1
1 439 . 14 1 1 A 41 41 ASP CA C 41 53.950 54.012 -0.062 1
1 440 . 14 1 1 A 41 41 ASP CB C 41 43.630 41.916 1.714 1
1 441 . 14 1 1 A 41 41 ASP N N 41 120.465 120.402 0.063 1
1 442 . 14 1 1 A 42 42 ARG H H 42 8.639 9.171 -0.532 1
1 443 . 14 1 1 A 42 42 ARG HA H 42 4.157 4.669 -0.512 1
1 450 . 14 1 1 A 42 42 ARG C C 42 173.606 175.567 -1.961 1
1 451 . 14 1 1 A 42 42 ARG CA C 42 56.340 56.612 -0.272 1
1 452 . 14 1 1 A 42 42 ARG CB C 42 29.930 32.270 -2.340 1
1 455 . 14 1 1 A 42 42 ARG N N 42 116.578 122.208 -5.630 1
1 456 . 14 1 1 A 43 43 GLU H H 43 7.452 7.977 -0.525 1
1 457 . 14 1 1 A 43 43 GLU HA H 43 5.413 5.407 0.006 1
1 462 . 14 1 1 A 43 43 GLU C C 43 174.192 174.338 -0.146 1
1 463 . 14 1 1 A 43 43 GLU CA C 43 55.100 56.057 -0.957 1
1 464 . 14 1 1 A 43 43 GLU CB C 43 34.110 33.378 0.732 1
1 466 . 14 1 1 A 43 43 GLU N N 43 116.369 118.092 -1.723 1
1 467 . 14 1 1 A 44 44 ILE H H 44 9.056 9.462 -0.406 1
1 468 . 14 1 1 A 44 44 ILE HA H 44 4.696 4.808 -0.112 1
1 478 . 14 1 1 A 44 44 ILE C C 44 173.831 174.684 -0.853 1
1 479 . 14 1 1 A 44 44 ILE CA C 44 58.070 59.491 -1.421 1
1 480 . 14 1 1 A 44 44 ILE CB C 44 41.140 42.051 -0.911 1
1 484 . 14 1 1 A 44 44 ILE N N 44 123.963 126.110 -2.147 1
1 485 . 14 1 1 A 45 45 VAL H H 45 8.740 8.905 -0.165 1
1 486 . 14 1 1 A 45 45 VAL HA H 45 4.850 4.832 0.018 1
1 494 . 14 1 1 A 45 45 VAL C C 45 175.175 175.483 -0.308 1
1 495 . 14 1 1 A 45 45 VAL CA C 45 60.990 61.336 -0.346 1
1 496 . 14 1 1 A 45 45 VAL CB C 45 33.810 33.636 0.174 1
1 499 . 14 1 1 A 45 45 VAL N N 45 126.299 126.723 -0.424 1
1 500 . 14 1 1 A 46 46 ILE H H 46 9.367 9.266 0.101 1
1 501 . 14 1 1 A 46 46 ILE HA H 46 4.830 4.815 0.015 1
1 511 . 14 1 1 A 46 46 ILE C C 46 175.433 174.947 0.486 1
1 512 . 14 1 1 A 46 46 ILE CA C 46 59.350 60.557 -1.207 1
1 513 . 14 1 1 A 46 46 ILE CB C 46 39.410 40.035 -0.625 1
1 517 . 14 1 1 A 46 46 ILE N N 46 126.797 127.200 -0.403 1
1 518 . 14 1 1 A 47 47 ALA H H 47 9.173 8.922 0.251 1
1 519 . 14 1 1 A 47 47 ALA HA H 47 4.790 4.983 -0.193 1
1 523 . 14 1 1 A 47 47 ALA C C 47 175.394 176.696 -1.302 1
1 524 . 14 1 1 A 47 47 ALA CA C 47 51.500 51.644 -0.144 1
1 525 . 14 1 1 A 47 47 ALA CB C 47 19.020 20.419 -1.399 1
1 526 . 14 1 1 A 47 47 ALA N N 47 131.668 131.232 0.436 1
1 527 . 14 1 1 A 48 48 HIS H H 48 8.473 9.268 -0.795 1
1 528 . 14 1 1 A 48 48 HIS HA H 48 5.394 4.918 0.476 1
1 533 . 14 1 1 A 48 48 HIS C C 48 175.182 175.149 0.033 1
1 534 . 14 1 1 A 48 48 HIS CA C 48 54.520 55.478 -0.958 1
1 535 . 14 1 1 A 48 48 HIS CB C 48 33.190 31.854 1.336 1
1 538 . 14 1 1 A 48 48 HIS N N 48 126.144 122.801 3.343 1
1 539 . 14 1 1 A 49 49 GLY H H 49 8.847 8.880 -0.033 1
1 540 . 14 1 1 A 49 49 GLY HA2 H 49 3.795 3.575 0.220 1
1 541 . 14 1 1 A 49 49 GLY HA3 H 49 3.549 3.648 -0.099 1
1 542 . 14 1 1 A 49 49 GLY CA C 49 46.950 47.192 -0.242 1
1 543 . 14 1 1 A 49 49 GLY N N 49 117.318 116.026 1.292 1
1 544 . 14 1 1 A 50 50 ASP HA H 50 4.639 4.628 0.011 1
1 547 . 14 1 1 A 50 50 ASP C C 50 175.825 175.757 0.068 1
1 548 . 14 1 1 A 50 50 ASP CA C 50 55.070 55.390 -0.320 1
1 549 . 14 1 1 A 50 50 ASP CB C 50 31.070 42.091 -11.021 1
1 550 . 14 1 1 A 51 51 ASP H H 51 8.166 7.343 0.823 1
1 551 . 14 1 1 A 51 51 ASP HA H 51 4.810 4.888 -0.078 1
1 554 . 14 1 1 A 51 51 ASP C C 51 176.635 174.948 1.687 1
1 555 . 14 1 1 A 51 51 ASP CA C 51 53.950 53.068 0.882 1
1 556 . 14 1 1 A 51 51 ASP CB C 51 43.250 43.366 -0.116 1
1 557 . 14 1 1 A 51 51 ASP N N 51 120.310 118.852 1.458 1
1 558 . 14 1 1 A 52 52 ARG H H 52 8.784 8.238 0.546 1
1 559 . 14 1 1 A 52 52 ARG HA H 52 4.970 5.307 -0.337 1
1 566 . 14 1 1 A 52 52 ARG C C 52 174.757 174.498 0.259 1
1 567 . 14 1 1 A 52 52 ARG CA C 52 54.250 54.214 0.036 1
1 568 . 14 1 1 A 52 52 ARG CB C 52 31.440 34.613 -3.173 1
1 571 . 14 1 1 A 52 52 ARG N N 52 123.348 122.446 0.902 1
1 572 . 14 1 1 A 53 53 TYR H H 53 8.850 9.441 -0.591 1
1 573 . 14 1 1 A 53 53 TYR HA H 53 4.806 5.251 -0.445 1
1 580 . 14 1 1 A 53 53 TYR C C 53 174.989 175.290 -0.301 1
1 581 . 14 1 1 A 53 53 TYR CA C 53 56.850 56.986 -0.136 1
1 582 . 14 1 1 A 53 53 TYR CB C 53 41.480 43.094 -1.614 1
1 585 . 14 1 1 A 53 53 TYR N N 53 122.391 121.948 0.443 1
1 586 . 14 1 1 A 54 54 ARG H H 54 9.387 9.084 0.303 1
1 587 . 14 1 1 A 54 54 ARG HA H 54 4.936 5.314 -0.378 1
1 594 . 14 1 1 A 54 54 ARG C C 54 174.076 174.578 -0.502 1
1 595 . 14 1 1 A 54 54 ARG CA C 54 55.100 54.821 0.279 1
1 596 . 14 1 1 A 54 54 ARG CB C 54 31.750 32.371 -0.621 1
1 599 . 14 1 1 A 54 54 ARG N N 54 120.797 120.243 0.554 1
1 600 . 14 1 1 A 55 55 LEU H H 55 9.271 8.888 0.383 1
1 601 . 14 1 1 A 55 55 LEU HA H 55 5.237 5.248 -0.011 1
1 611 . 14 1 1 A 55 55 LEU C C 55 174.841 175.594 -0.753 1
1 612 . 14 1 1 A 55 55 LEU CA C 55 53.590 54.553 -0.963 1
1 613 . 14 1 1 A 55 55 LEU CB C 55 43.470 43.119 0.351 1
1 617 . 14 1 1 A 55 55 LEU N N 55 128.735 127.848 0.887 1
1 618 . 14 1 1 A 56 56 ARG H H 56 9.000 9.120 -0.120 1
1 619 . 14 1 1 A 56 56 ARG HA H 56 5.110 5.177 -0.067 1
1 626 . 14 1 1 A 56 56 ARG C C 56 173.413 173.731 -0.318 1
1 627 . 14 1 1 A 56 56 ARG CA C 56 54.440 54.446 -0.006 1
1 628 . 14 1 1 A 56 56 ARG CB C 56 34.540 33.870 0.670 1
1 631 . 14 1 1 A 56 56 ARG N N 56 125.280 128.125 -2.845 1
1 632 . 14 1 1 A 57 57 LEU H H 57 7.631 8.681 -1.050 1
1 633 . 14 1 1 A 57 57 LEU HA H 57 4.667 4.763 -0.096 1
1 643 . 14 1 1 A 57 57 LEU C C 57 177.709 176.703 1.006 1
1 644 . 14 1 1 A 57 57 LEU CA C 57 52.710 53.072 -0.362 1
1 645 . 14 1 1 A 57 57 LEU CB C 57 42.480 44.114 -1.634 1
1 649 . 14 1 1 A 57 57 LEU N N 57 122.967 127.545 -4.578 1
1 650 . 14 1 1 A 58 58 THR H H 58 9.001 9.032 -0.031 1
1 651 . 14 1 1 A 58 58 THR HA H 58 4.508 4.606 -0.098 1
1 656 . 14 1 1 A 58 58 THR CA C 58 60.440 60.714 -0.274 1
1 657 . 14 1 1 A 58 58 THR CB C 58 71.960 71.585 0.375 1
1 659 . 14 1 1 A 58 58 THR N N 58 116.533 116.597 -0.064 1
1 660 . 14 1 1 A 60 60 GLN HA H 60 4.433 4.168 0.265 1
1 665 . 14 1 1 A 60 60 GLN C C 60 174.738 176.228 -1.490 1
1 666 . 14 1 1 A 60 60 GLN CA C 60 55.280 57.224 -1.944 1
1 667 . 14 1 1 A 60 60 GLN CB C 60 28.190 28.467 -0.277 1
1 669 . 14 1 1 A 61 61 ASN H H 61 8.333 8.134 0.199 1
1 670 . 14 1 1 A 61 61 ASN HA H 61 4.262 4.511 -0.249 1
1 675 . 14 1 1 A 61 61 ASN C C 61 174.725 174.938 -0.213 1
1 676 . 14 1 1 A 61 61 ASN CA C 61 54.130 55.971 -1.841 1
1 677 . 14 1 1 A 61 61 ASN CB C 61 37.560 39.466 -1.906 1
1 678 . 14 1 1 A 61 61 ASN N N 61 116.480 117.518 -1.038 1
1 680 . 14 1 1 A 62 62 LYS H H 62 7.111 7.803 -0.692 1
1 681 . 14 1 1 A 62 62 LYS HA H 62 4.520 4.611 -0.091 1
1 690 . 14 1 1 A 62 62 LYS C C 62 174.057 173.856 0.201 1
1 691 . 14 1 1 A 62 62 LYS CA C 62 53.930 55.014 -1.084 1
1 692 . 14 1 1 A 62 62 LYS CB C 62 34.060 34.352 -0.292 1
1 696 . 14 1 1 A 62 62 LYS N N 62 116.535 113.223 3.312 1
1 697 . 14 1 1 A 63 63 LEU H H 63 6.706 8.487 -1.781 1
1 698 . 14 1 1 A 63 63 LEU HA H 63 5.093 5.319 -0.226 1
1 708 . 14 1 1 A 63 63 LEU C C 63 175.503 174.922 0.581 1
1 709 . 14 1 1 A 63 63 LEU CA C 63 53.330 52.727 0.603 1
1 710 . 14 1 1 A 63 63 LEU CB C 63 43.280 46.325 -3.045 1
1 714 . 14 1 1 A 63 63 LEU N N 63 119.236 114.559 4.677 1
1 715 . 14 1 1 A 64 64 ILE H H 64 8.471 8.838 -0.367 1
1 716 . 14 1 1 A 64 64 ILE HA H 64 4.429 4.988 -0.559 1
1 726 . 14 1 1 A 64 64 ILE C C 64 172.642 173.606 -0.964 1
1 727 . 14 1 1 A 64 64 ILE CA C 64 59.520 58.836 0.684 1
1 728 . 14 1 1 A 64 64 ILE CB C 64 42.740 42.440 0.300 1
1 732 . 14 1 1 A 64 64 ILE N N 64 116.258 114.199 2.059 1
1 733 . 14 1 1 A 65 65 LEU H H 65 8.429 8.882 -0.453 1
1 734 . 14 1 1 A 65 65 LEU HA H 65 5.543 5.207 0.336 1
1 744 . 14 1 1 A 65 65 LEU C C 65 176.050 174.797 1.253 1
1 745 . 14 1 1 A 65 65 LEU CA C 65 53.230 53.585 -0.355 1
1 746 . 14 1 1 A 65 65 LEU CB C 65 46.610 44.506 2.104 1
1 750 . 14 1 1 A 65 65 LEU N N 65 125.259 124.280 0.979 1
1 751 . 14 1 1 A 66 66 THR H H 66 9.302 9.249 0.053 1
1 752 . 14 1 1 A 66 66 THR HA H 66 4.905 5.006 -0.101 1
1 757 . 14 1 1 A 66 66 THR C C 66 172.436 172.341 0.095 1
1 758 . 14 1 1 A 66 66 THR CA C 66 59.850 59.943 -0.093 1
1 759 . 14 1 1 A 66 66 THR CB C 66 71.650 70.821 0.829 1
1 761 . 14 1 1 A 66 66 THR N N 66 121.417 119.905 1.512 1
1 7 . 15 1 1 A 2 2 MET H H 2 8.334 7.769 0.565 1
1 8 . 15 1 1 A 2 2 MET HA H 2 4.432 4.613 -0.181 1
1 16 . 15 1 1 A 2 2 MET C C 2 176.391 175.177 1.214 1
1 17 . 15 1 1 A 2 2 MET CA C 2 55.880 54.173 1.707 1
1 18 . 15 1 1 A 2 2 MET CB C 2 32.400 30.982 1.418 1
1 21 . 15 1 1 A 2 2 MET N N 2 121.118 120.380 0.738 1
1 22 . 15 1 1 A 3 3 THR H H 3 8.177 8.210 -0.033 1
1 23 . 15 1 1 A 3 3 THR HA H 3 4.338 4.504 -0.166 1
1 28 . 15 1 1 A 3 3 THR C C 3 174.455 173.937 0.518 1
1 29 . 15 1 1 A 3 3 THR CA C 3 61.410 63.057 -1.647 1
1 30 . 15 1 1 A 3 3 THR CB C 3 69.710 68.641 1.069 1
1 32 . 15 1 1 A 3 3 THR N N 3 115.029 121.637 -6.608 1
1 33 . 15 1 1 A 4 4 ALA H H 4 8.429 8.854 -0.425 1
1 34 . 15 1 1 A 4 4 ALA HA H 4 4.303 4.689 -0.386 1
1 38 . 15 1 1 A 4 4 ALA C C 4 178.127 176.399 1.728 1
1 39 . 15 1 1 A 4 4 ALA CA C 4 52.580 51.002 1.578 1
1 40 . 15 1 1 A 4 4 ALA CB C 4 19.370 19.648 -0.278 1
1 41 . 15 1 1 A 4 4 ALA N N 4 126.222 130.772 -4.550 1
1 42 . 15 1 1 A 5 5 SER H H 5 8.257 8.580 -0.323 1
1 43 . 15 1 1 A 5 5 SER HA H 5 4.352 4.832 -0.480 1
1 46 . 15 1 1 A 5 5 SER C C 5 174.687 173.001 1.686 1
1 47 . 15 1 1 A 5 5 SER CA C 5 58.790 57.434 1.356 1
1 48 . 15 1 1 A 5 5 SER CB C 5 63.720 63.455 0.265 1
1 49 . 15 1 1 A 5 5 SER N N 5 114.762 118.645 -3.883 1
1 50 . 15 1 1 A 6 6 ASP H H 6 8.186 8.980 -0.794 1
1 51 . 15 1 1 A 6 6 ASP HA H 6 4.547 4.911 -0.364 1
1 54 . 15 1 1 A 6 6 ASP C C 6 176.423 175.068 1.355 1
1 55 . 15 1 1 A 6 6 ASP CA C 6 54.760 53.847 0.913 1
1 56 . 15 1 1 A 6 6 ASP CB C 6 41.110 41.812 -0.702 1
1 57 . 15 1 1 A 6 6 ASP N N 6 122.104 127.632 -5.528 1
1 58 . 15 1 1 A 7 7 ARG H H 7 8.063 8.587 -0.524 1
1 59 . 15 1 1 A 7 7 ARG HA H 7 4.276 4.658 -0.382 1
1 66 . 15 1 1 A 7 7 ARG C C 7 176.455 175.737 0.718 1
1 67 . 15 1 1 A 7 7 ARG CA C 7 56.310 55.640 0.670 1
1 68 . 15 1 1 A 7 7 ARG CB C 7 30.470 30.575 -0.105 1
1 71 . 15 1 1 A 7 7 ARG N N 7 120.343 126.297 -5.954 1
1 72 . 15 1 1 A 8 8 LEU H H 8 8.157 8.769 -0.612 1
1 73 . 15 1 1 A 8 8 LEU HA H 8 4.288 5.109 -0.821 1
1 83 . 15 1 1 A 8 8 LEU C C 8 177.940 175.878 2.062 1
1 84 . 15 1 1 A 8 8 LEU CA C 8 55.630 52.411 3.219 1
1 85 . 15 1 1 A 8 8 LEU CB C 8 42.540 45.031 -2.491 1
1 89 . 15 1 1 A 8 8 LEU N N 8 122.546 120.556 1.990 1
1 90 . 15 1 1 A 9 9 GLY H H 9 8.290 8.439 -0.149 1
1 91 . 15 1 1 A 9 9 GLY HA2 H 9 3.896 4.147 -0.251 1
1 92 . 15 1 1 A 9 9 GLY HA3 H 9 3.896 4.147 -0.251 1
1 93 . 15 1 1 A 9 9 GLY C C 9 173.664 172.125 1.539 1
1 94 . 15 1 1 A 9 9 GLY CA C 9 45.320 45.650 -0.330 1
1 95 . 15 1 1 A 9 9 GLY N N 9 109.549 106.418 3.131 1
1 96 . 15 1 1 A 10 10 ALA H H 10 7.980 8.348 -0.368 1
1 97 . 15 1 1 A 10 10 ALA HA H 10 4.276 4.610 -0.334 1
1 101 . 15 1 1 A 10 10 ALA C C 10 177.182 176.463 0.719 1
1 102 . 15 1 1 A 10 10 ALA CA C 10 52.130 52.159 -0.029 1
1 103 . 15 1 1 A 10 10 ALA CB C 10 19.460 19.895 -0.435 1
1 104 . 15 1 1 A 10 10 ALA N N 10 123.266 126.555 -3.289 1
1 105 . 15 1 1 A 11 11 ASP H H 11 8.292 8.646 -0.354 1
1 106 . 15 1 1 A 11 11 ASP HA H 11 4.840 5.243 -0.403 1
1 109 . 15 1 1 A 11 11 ASP CA C 11 51.950 51.122 0.828 1
1 110 . 15 1 1 A 11 11 ASP CB C 11 41.320 42.197 -0.877 1
1 111 . 15 1 1 A 11 11 ASP N N 11 120.930 121.958 -1.028 1
1 112 . 15 1 1 A 12 12 PRO HA H 12 4.450 4.757 -0.307 1
1 119 . 15 1 1 A 12 12 PRO C C 12 177.670 176.147 1.523 1
1 120 . 15 1 1 A 12 12 PRO CA C 12 63.940 62.313 1.627 1
1 121 . 15 1 1 A 12 12 PRO CB C 12 32.180 31.821 0.359 1
1 124 . 15 1 1 A 13 13 THR H H 13 8.304 8.567 -0.263 1
1 125 . 15 1 1 A 13 13 THR HA H 13 4.234 4.492 -0.258 1
1 130 . 15 1 1 A 13 13 THR C C 13 175.085 174.025 1.060 1
1 131 . 15 1 1 A 13 13 THR CA C 13 62.770 62.197 0.573 1
1 132 . 15 1 1 A 13 13 THR CB C 13 69.509 67.692 1.817 1
1 134 . 15 1 1 A 13 13 THR N N 13 112.749 118.146 -5.397 1
1 135 . 15 1 1 A 14 14 GLN H H 14 7.963 8.637 -0.674 1
1 136 . 15 1 1 A 14 14 GLN HA H 14 4.282 4.731 -0.449 1
1 141 . 15 1 1 A 14 14 GLN C C 14 175.773 174.873 0.900 1
1 142 . 15 1 1 A 14 14 GLN CA C 14 55.770 55.259 0.511 1
1 143 . 15 1 1 A 14 14 GLN CB C 14 29.440 28.832 0.608 1
1 145 . 15 1 1 A 14 14 GLN N N 14 121.849 125.220 -3.371 1
1 146 . 15 1 1 A 15 15 ALA H H 15 8.150 8.327 -0.177 1
1 147 . 15 1 1 A 15 15 ALA HA H 15 4.237 4.981 -0.744 1
1 151 . 15 1 1 A 15 15 ALA C C 15 177.587 175.551 2.036 1
1 152 . 15 1 1 A 15 15 ALA CA C 15 52.750 51.831 0.919 1
1 153 . 15 1 1 A 15 15 ALA CB C 15 19.180 21.999 -2.819 1
1 154 . 15 1 1 A 15 15 ALA N N 15 125.125 127.176 -2.051 1
1 155 . 15 1 1 A 16 16 ALA H H 16 8.234 8.780 -0.546 1
1 156 . 15 1 1 A 16 16 ALA HA H 16 4.291 5.285 -0.994 1
1 160 . 15 1 1 A 16 16 ALA C C 16 177.741 175.236 2.505 1
1 161 . 15 1 1 A 16 16 ALA CA C 16 52.410 50.663 1.747 1
1 162 . 15 1 1 A 16 16 ALA CB C 16 19.130 24.006 -4.876 1
1 163 . 15 1 1 A 16 16 ALA N N 16 123.189 123.467 -0.278 1
1 164 . 15 1 1 A 17 17 SER H H 17 8.162 8.855 -0.693 1
1 165 . 15 1 1 A 17 17 SER HA H 17 4.431 5.237 -0.806 1
1 168 . 15 1 1 A 17 17 SER CA C 17 58.160 57.416 0.744 1
1 169 . 15 1 1 A 17 17 SER CB C 17 64.030 66.308 -2.278 1
1 170 . 15 1 1 A 17 17 SER N N 17 114.762 115.680 -0.918 1
1 171 . 15 1 1 A 18 18 SER H H 18 8.246 8.971 -0.725 1
1 172 . 15 1 1 A 18 18 SER HA H 18 4.747 4.933 -0.186 1
1 173 . 15 1 1 A 18 18 SER CA C 18 58.640 55.336 3.304 1
1 174 . 15 1 1 A 18 18 SER N N 18 118.482 120.375 -1.893 1
1 175 . 15 1 1 A 19 19 PRO HA H 19 4.426 4.314 0.112 1
1 182 . 15 1 1 A 19 19 PRO CA C 19 63.790 63.685 0.105 1
1 183 . 15 1 1 A 19 19 PRO CB C 19 32.220 31.754 0.466 1
1 186 . 15 1 1 A 20 20 GLY H H 20 8.452 8.156 0.296 1
1 187 . 15 1 1 A 20 20 GLY HA2 H 20 3.938 4.109 -0.171 1
1 188 . 15 1 1 A 20 20 GLY HA3 H 20 3.938 4.110 -0.172 1
1 189 . 15 1 1 A 20 20 GLY C C 20 174.674 174.668 0.006 1
1 190 . 15 1 1 A 20 20 GLY CA C 20 45.330 45.778 -0.448 1
1 191 . 15 1 1 A 20 20 GLY N N 20 109.329 110.142 -0.813 1
1 192 . 15 1 1 A 21 21 GLY H H 21 8.217 8.334 -0.117 1
1 193 . 15 1 1 A 21 21 GLY HA2 H 21 3.946 4.038 -0.092 1
1 194 . 15 1 1 A 21 21 GLY HA3 H 21 3.946 4.039 -0.093 1
1 195 . 15 1 1 A 21 21 GLY C C 21 173.555 173.370 0.185 1
1 196 . 15 1 1 A 21 21 GLY CA C 21 45.390 45.080 0.310 1
1 197 . 15 1 1 A 21 21 GLY N N 21 108.749 108.155 0.594 1
1 198 . 15 1 1 A 22 22 ALA H H 22 8.147 8.174 -0.027 1
1 199 . 15 1 1 A 22 22 ALA HA H 22 4.866 4.677 0.189 1
1 203 . 15 1 1 A 22 22 ALA C C 22 176.931 177.392 -0.461 1
1 204 . 15 1 1 A 22 22 ALA CA C 22 51.910 51.133 0.777 1
1 205 . 15 1 1 A 22 22 ALA CB C 22 20.490 20.447 0.043 1
1 206 . 15 1 1 A 22 22 ALA N N 22 124.041 123.390 0.651 1
1 207 . 15 1 1 A 23 23 ARG H H 23 8.699 9.110 -0.411 1
1 208 . 15 1 1 A 23 23 ARG HA H 23 4.641 5.002 -0.361 1
1 215 . 15 1 1 A 23 23 ARG C C 23 173.587 174.335 -0.748 1
1 216 . 15 1 1 A 23 23 ARG CA C 23 55.000 54.231 0.769 1
1 217 . 15 1 1 A 23 23 ARG CB C 23 32.420 33.661 -1.241 1
1 220 . 15 1 1 A 23 23 ARG N N 23 120.753 119.056 1.697 1
1 221 . 15 1 1 A 24 24 ALA H H 24 8.408 8.796 -0.388 1
1 222 . 15 1 1 A 24 24 ALA HA H 24 5.145 5.413 -0.268 1
1 226 . 15 1 1 A 24 24 ALA C C 24 177.092 176.715 0.377 1
1 227 . 15 1 1 A 24 24 ALA CA C 24 51.160 50.239 0.921 1
1 228 . 15 1 1 A 24 24 ALA CB C 24 21.490 21.103 0.387 1
1 229 . 15 1 1 A 24 24 ALA N N 24 124.606 123.415 1.191 1
1 230 . 15 1 1 A 25 25 VAL H H 25 8.842 9.071 -0.229 1
1 231 . 15 1 1 A 25 25 VAL HA H 25 4.411 4.857 -0.446 1
1 239 . 15 1 1 A 25 25 VAL C C 25 174.558 174.998 -0.440 1
1 240 . 15 1 1 A 25 25 VAL CA C 25 60.160 59.332 0.828 1
1 241 . 15 1 1 A 25 25 VAL CB C 25 34.450 35.022 -0.572 1
1 244 . 15 1 1 A 25 25 VAL N N 25 120.299 117.527 2.772 1
1 245 . 15 1 1 A 26 26 SER H H 26 8.744 9.047 -0.303 1
1 246 . 15 1 1 A 26 26 SER HA H 26 4.747 5.385 -0.638 1
1 249 . 15 1 1 A 26 26 SER C C 26 173.304 174.055 -0.751 1
1 250 . 15 1 1 A 26 26 SER CA C 26 58.720 55.884 2.836 1
1 251 . 15 1 1 A 26 26 SER CB C 26 63.910 66.201 -2.291 1
1 252 . 15 1 1 A 26 26 SER N N 26 121.229 118.102 3.127 1
1 253 . 15 1 1 A 27 27 ILE H H 27 8.716 8.916 -0.200 1
1 254 . 15 1 1 A 27 27 ILE HA H 27 4.360 4.987 -0.627 1
1 264 . 15 1 1 A 27 27 ILE C C 27 175.478 174.398 1.080 1
1 265 . 15 1 1 A 27 27 ILE CA C 27 60.670 60.267 0.403 1
1 266 . 15 1 1 A 27 27 ILE CB C 27 39.210 41.299 -2.089 1
1 270 . 15 1 1 A 27 27 ILE N N 27 124.450 122.312 2.138 1
1 271 . 15 1 1 A 28 28 VAL H H 28 8.426 8.713 -0.287 1
1 272 . 15 1 1 A 28 28 VAL HA H 28 4.298 4.693 -0.395 1
1 280 . 15 1 1 A 28 28 VAL CA C 28 61.850 61.161 0.689 1
1 281 . 15 1 1 A 28 28 VAL CB C 28 32.790 32.367 0.423 1
1 284 . 15 1 1 A 28 28 VAL N N 28 128.723 123.869 4.854 1
1 285 . 15 1 1 A 29 29 GLY H H 29 8.953 8.906 0.047 1
1 286 . 15 1 1 A 29 29 GLY HA2 H 29 3.988 3.882 0.106 1
1 287 . 15 1 1 A 29 29 GLY HA3 H 29 3.725 3.882 -0.157 1
1 288 . 15 1 1 A 29 29 GLY C C 29 176.487 174.340 2.147 1
1 289 . 15 1 1 A 29 29 GLY CA C 29 47.610 47.102 0.508 1
1 290 . 15 1 1 A 29 29 GLY N N 29 120.095 115.631 4.464 1
1 291 . 15 1 1 A 30 30 ASN H H 30 8.566 8.149 0.417 1
1 292 . 15 1 1 A 30 30 ASN HA H 30 4.422 4.968 -0.546 1
1 297 . 15 1 1 A 30 30 ASN C C 30 172.841 174.378 -1.537 1
1 298 . 15 1 1 A 30 30 ASN CA C 30 53.100 52.310 0.790 1
1 299 . 15 1 1 A 30 30 ASN CB C 30 38.630 39.589 -0.959 1
1 300 . 15 1 1 A 30 30 ASN N N 30 120.808 118.610 2.198 1
1 302 . 15 1 1 A 31 31 GLN H H 31 7.713 7.409 0.304 1
1 303 . 15 1 1 A 31 31 GLN HA H 31 5.672 4.987 0.685 1
1 310 . 15 1 1 A 31 31 GLN C C 31 174.828 174.044 0.784 1
1 311 . 15 1 1 A 31 31 GLN CA C 31 54.730 54.356 0.374 1
1 312 . 15 1 1 A 31 31 GLN CB C 31 32.800 32.126 0.674 1
1 314 . 15 1 1 A 31 31 GLN N N 31 118.262 120.223 -1.961 1
1 316 . 15 1 1 A 32 32 ILE H H 32 9.113 8.664 0.449 1
1 317 . 15 1 1 A 32 32 ILE HA H 32 4.454 4.633 -0.179 1
1 327 . 15 1 1 A 32 32 ILE C C 32 173.439 172.800 0.639 1
1 328 . 15 1 1 A 32 32 ILE CA C 32 59.610 59.357 0.253 1
1 329 . 15 1 1 A 32 32 ILE CB C 32 42.350 41.310 1.040 1
1 333 . 15 1 1 A 32 32 ILE N N 32 124.849 122.585 2.264 1
1 334 . 15 1 1 A 33 33 ASP H H 33 9.066 8.787 0.279 1
1 335 . 15 1 1 A 33 33 ASP HA H 33 5.077 4.953 0.124 1
1 338 . 15 1 1 A 33 33 ASP C C 33 178.378 177.066 1.312 1
1 339 . 15 1 1 A 33 33 ASP CA C 33 53.460 53.915 -0.455 1
1 340 . 15 1 1 A 33 33 ASP CB C 33 43.180 42.858 0.322 1
1 341 . 15 1 1 A 33 33 ASP N N 33 127.594 128.167 -0.573 1
1 342 . 15 1 1 A 34 34 SER H H 34 9.524 9.107 0.417 1
1 343 . 15 1 1 A 34 34 SER HA H 34 3.902 4.181 -0.279 1
1 346 . 15 1 1 A 34 34 SER C C 34 175.876 176.455 -0.579 1
1 347 . 15 1 1 A 34 34 SER CA C 34 61.980 61.395 0.585 1
1 348 . 15 1 1 A 34 34 SER CB C 34 61.510 62.838 -1.328 1
1 349 . 15 1 1 A 34 34 SER N N 34 125.026 121.907 3.119 1
1 350 . 15 1 1 A 35 35 ARG H H 35 9.022 7.819 1.203 1
1 351 . 15 1 1 A 35 35 ARG HA H 35 4.235 4.183 0.052 1
1 358 . 15 1 1 A 35 35 ARG C C 35 178.661 178.711 -0.050 1
1 359 . 15 1 1 A 35 35 ARG CA C 35 58.840 59.042 -0.202 1
1 360 . 15 1 1 A 35 35 ARG CB C 35 29.970 29.660 0.310 1
1 363 . 15 1 1 A 35 35 ARG N N 35 122.601 123.413 -0.812 1
1 364 . 15 1 1 A 36 36 GLU H H 36 7.689 7.947 -0.258 1
1 365 . 15 1 1 A 36 36 GLU HA H 36 4.202 4.024 0.178 1
1 370 . 15 1 1 A 36 36 GLU C C 36 177.285 179.243 -1.958 1
1 371 . 15 1 1 A 36 36 GLU CA C 36 57.340 58.737 -1.397 1
1 372 . 15 1 1 A 36 36 GLU CB C 36 30.910 29.428 1.482 1
1 374 . 15 1 1 A 36 36 GLU N N 36 115.420 120.153 -4.733 1
1 375 . 15 1 1 A 37 37 LEU H H 37 7.280 7.918 -0.638 1
1 376 . 15 1 1 A 37 37 LEU HA H 37 3.805 3.956 -0.151 1
1 386 . 15 1 1 A 37 37 LEU C C 37 176.410 177.898 -1.488 1
1 387 . 15 1 1 A 37 37 LEU CA C 37 56.790 57.504 -0.714 1
1 388 . 15 1 1 A 37 37 LEU CB C 37 42.510 41.661 0.849 1
1 392 . 15 1 1 A 37 37 LEU N N 37 117.043 119.594 -2.551 1
1 393 . 15 1 1 A 38 38 PHE H H 38 7.431 7.914 -0.483 1
1 394 . 15 1 1 A 38 38 PHE HA H 38 4.884 4.701 0.183 1
1 402 . 15 1 1 A 38 38 PHE C C 38 176.018 176.024 -0.006 1
1 403 . 15 1 1 A 38 38 PHE CA C 38 57.320 57.739 -0.419 1
1 404 . 15 1 1 A 38 38 PHE CB C 38 38.500 38.336 0.164 1
1 408 . 15 1 1 A 38 38 PHE N N 38 115.439 115.594 -0.155 1
1 409 . 15 1 1 A 39 39 THR H H 39 7.632 7.601 0.031 1
1 410 . 15 1 1 A 39 39 THR HA H 39 4.256 3.907 0.349 1
1 415 . 15 1 1 A 39 39 THR C C 39 175.986 176.438 -0.452 1
1 416 . 15 1 1 A 39 39 THR CA C 39 62.630 65.417 -2.787 1
1 417 . 15 1 1 A 39 39 THR CB C 39 69.240 69.461 -0.221 1
1 419 . 15 1 1 A 39 39 THR N N 39 112.395 115.318 -2.923 1
1 420 . 15 1 1 A 40 40 VAL H H 40 8.246 7.379 0.867 1
1 421 . 15 1 1 A 40 40 VAL HA H 40 4.121 4.260 -0.139 1
1 429 . 15 1 1 A 40 40 VAL C C 40 175.233 175.728 -0.495 1
1 430 . 15 1 1 A 40 40 VAL CA C 40 63.340 63.299 0.041 1
1 431 . 15 1 1 A 40 40 VAL CB C 40 32.870 32.934 -0.064 1
1 434 . 15 1 1 A 40 40 VAL N N 40 118.329 114.393 3.936 1
1 435 . 15 1 1 A 41 41 ASP H H 41 8.048 7.995 0.053 1
1 436 . 15 1 1 A 41 41 ASP HA H 41 4.792 4.783 0.009 1
1 439 . 15 1 1 A 41 41 ASP CA C 41 53.950 52.244 1.706 1
1 440 . 15 1 1 A 41 41 ASP CB C 41 43.630 41.442 2.188 1
1 441 . 15 1 1 A 41 41 ASP N N 41 120.465 120.847 -0.382 1
1 442 . 15 1 1 A 42 42 ARG H H 42 8.639 8.732 -0.093 1
1 443 . 15 1 1 A 42 42 ARG HA H 42 4.157 4.784 -0.627 1
1 450 . 15 1 1 A 42 42 ARG C C 42 173.606 175.273 -1.667 1
1 451 . 15 1 1 A 42 42 ARG CA C 42 56.340 55.436 0.904 1
1 452 . 15 1 1 A 42 42 ARG CB C 42 29.930 31.553 -1.623 1
1 455 . 15 1 1 A 42 42 ARG N N 42 116.578 120.331 -3.753 1
1 456 . 15 1 1 A 43 43 GLU H H 43 7.452 7.425 0.027 1
1 457 . 15 1 1 A 43 43 GLU HA H 43 5.413 5.386 0.027 1
1 462 . 15 1 1 A 43 43 GLU C C 43 174.192 174.316 -0.124 1
1 463 . 15 1 1 A 43 43 GLU CA C 43 55.100 55.920 -0.820 1
1 464 . 15 1 1 A 43 43 GLU CB C 43 34.110 33.211 0.899 1
1 466 . 15 1 1 A 43 43 GLU N N 43 116.369 119.056 -2.687 1
1 467 . 15 1 1 A 44 44 ILE H H 44 9.056 9.339 -0.283 1
1 468 . 15 1 1 A 44 44 ILE HA H 44 4.696 5.058 -0.362 1
1 478 . 15 1 1 A 44 44 ILE C C 44 173.831 174.795 -0.964 1
1 479 . 15 1 1 A 44 44 ILE CA C 44 58.070 59.562 -1.492 1
1 480 . 15 1 1 A 44 44 ILE CB C 44 41.140 41.922 -0.782 1
1 484 . 15 1 1 A 44 44 ILE N N 44 123.963 126.934 -2.971 1
1 485 . 15 1 1 A 45 45 VAL H H 45 8.740 8.969 -0.229 1
1 486 . 15 1 1 A 45 45 VAL HA H 45 4.850 4.905 -0.055 1
1 494 . 15 1 1 A 45 45 VAL C C 45 175.175 174.985 0.190 1
1 495 . 15 1 1 A 45 45 VAL CA C 45 60.990 61.367 -0.377 1
1 496 . 15 1 1 A 45 45 VAL CB C 45 33.810 32.505 1.305 1
1 499 . 15 1 1 A 45 45 VAL N N 45 126.299 126.817 -0.518 1
1 500 . 15 1 1 A 46 46 ILE H H 46 9.367 9.065 0.302 1
1 501 . 15 1 1 A 46 46 ILE HA H 46 4.830 4.567 0.263 1
1 511 . 15 1 1 A 46 46 ILE C C 46 175.433 175.510 -0.077 1
1 512 . 15 1 1 A 46 46 ILE CA C 46 59.350 60.504 -1.154 1
1 513 . 15 1 1 A 46 46 ILE CB C 46 39.410 37.491 1.919 1
1 517 . 15 1 1 A 46 46 ILE N N 46 126.797 128.778 -1.981 1
1 518 . 15 1 1 A 47 47 ALA H H 47 9.173 8.757 0.416 1
1 519 . 15 1 1 A 47 47 ALA HA H 47 4.790 5.008 -0.218 1
1 523 . 15 1 1 A 47 47 ALA C C 47 175.394 176.766 -1.372 1
1 524 . 15 1 1 A 47 47 ALA CA C 47 51.500 51.721 -0.221 1
1 525 . 15 1 1 A 47 47 ALA CB C 47 19.020 20.482 -1.462 1
1 526 . 15 1 1 A 47 47 ALA N N 47 131.668 131.438 0.230 1
1 527 . 15 1 1 A 48 48 HIS H H 48 8.473 9.113 -0.640 1
1 528 . 15 1 1 A 48 48 HIS HA H 48 5.394 4.931 0.463 1
1 533 . 15 1 1 A 48 48 HIS C C 48 175.182 175.084 0.098 1
1 534 . 15 1 1 A 48 48 HIS CA C 48 54.520 55.517 -0.997 1
1 535 . 15 1 1 A 48 48 HIS CB C 48 33.190 32.219 0.971 1
1 538 . 15 1 1 A 48 48 HIS N N 48 126.144 122.429 3.715 1
1 539 . 15 1 1 A 49 49 GLY H H 49 8.847 8.889 -0.042 1
1 540 . 15 1 1 A 49 49 GLY HA2 H 49 3.795 3.609 0.186 1
1 541 . 15 1 1 A 49 49 GLY HA3 H 49 3.549 3.645 -0.096 1
1 542 . 15 1 1 A 49 49 GLY CA C 49 46.950 47.154 -0.204 1
1 543 . 15 1 1 A 49 49 GLY N N 49 117.318 116.061 1.257 1
1 544 . 15 1 1 A 50 50 ASP HA H 50 4.639 4.652 -0.013 1
1 547 . 15 1 1 A 50 50 ASP C C 50 175.825 175.090 0.735 1
1 548 . 15 1 1 A 50 50 ASP CA C 50 55.070 54.434 0.636 1
1 549 . 15 1 1 A 50 50 ASP CB C 50 31.070 41.462 -10.392 1
1 550 . 15 1 1 A 51 51 ASP H H 51 8.166 7.279 0.887 1
1 551 . 15 1 1 A 51 51 ASP HA H 51 4.810 4.865 -0.055 1
1 554 . 15 1 1 A 51 51 ASP C C 51 176.635 174.760 1.875 1
1 555 . 15 1 1 A 51 51 ASP CA C 51 53.950 53.248 0.702 1
1 556 . 15 1 1 A 51 51 ASP CB C 51 43.250 43.371 -0.121 1
1 557 . 15 1 1 A 51 51 ASP N N 51 120.310 120.232 0.078 1
1 558 . 15 1 1 A 52 52 ARG H H 52 8.784 8.242 0.542 1
1 559 . 15 1 1 A 52 52 ARG HA H 52 4.970 5.204 -0.234 1
1 566 . 15 1 1 A 52 52 ARG C C 52 174.757 174.264 0.493 1
1 567 . 15 1 1 A 52 52 ARG CA C 52 54.250 54.327 -0.077 1
1 568 . 15 1 1 A 52 52 ARG CB C 52 31.440 34.142 -2.702 1
1 571 . 15 1 1 A 52 52 ARG N N 52 123.348 122.580 0.768 1
1 572 . 15 1 1 A 53 53 TYR H H 53 8.850 9.553 -0.703 1
1 573 . 15 1 1 A 53 53 TYR HA H 53 4.806 5.241 -0.435 1
1 580 . 15 1 1 A 53 53 TYR C C 53 174.989 175.162 -0.173 1
1 581 . 15 1 1 A 53 53 TYR CA C 53 56.850 57.050 -0.200 1
1 582 . 15 1 1 A 53 53 TYR CB C 53 41.480 43.028 -1.548 1
1 585 . 15 1 1 A 53 53 TYR N N 53 122.391 122.883 -0.492 1
1 586 . 15 1 1 A 54 54 ARG H H 54 9.387 8.907 0.480 1
1 587 . 15 1 1 A 54 54 ARG HA H 54 4.936 5.547 -0.611 1
1 594 . 15 1 1 A 54 54 ARG C C 54 174.076 174.204 -0.128 1
1 595 . 15 1 1 A 54 54 ARG CA C 54 55.100 54.819 0.281 1
1 596 . 15 1 1 A 54 54 ARG CB C 54 31.750 33.819 -2.069 1
1 599 . 15 1 1 A 54 54 ARG N N 54 120.797 120.041 0.756 1
1 600 . 15 1 1 A 55 55 LEU H H 55 9.271 9.537 -0.266 1
1 601 . 15 1 1 A 55 55 LEU HA H 55 5.237 5.182 0.055 1
1 611 . 15 1 1 A 55 55 LEU C C 55 174.841 174.744 0.097 1
1 612 . 15 1 1 A 55 55 LEU CA C 55 53.590 53.794 -0.204 1
1 613 . 15 1 1 A 55 55 LEU CB C 55 43.470 44.647 -1.177 1
1 617 . 15 1 1 A 55 55 LEU N N 55 128.735 126.893 1.842 1
1 618 . 15 1 1 A 56 56 ARG H H 56 9.000 9.309 -0.309 1
1 619 . 15 1 1 A 56 56 ARG HA H 56 5.110 5.016 0.094 1
1 626 . 15 1 1 A 56 56 ARG C C 56 173.413 173.629 -0.216 1
1 627 . 15 1 1 A 56 56 ARG CA C 56 54.440 54.390 0.050 1
1 628 . 15 1 1 A 56 56 ARG CB C 56 34.540 33.568 0.972 1
1 631 . 15 1 1 A 56 56 ARG N N 56 125.280 128.783 -3.503 1
1 632 . 15 1 1 A 57 57 LEU H H 57 7.631 8.592 -0.961 1
1 633 . 15 1 1 A 57 57 LEU HA H 57 4.667 4.876 -0.209 1
1 643 . 15 1 1 A 57 57 LEU C C 57 177.709 176.573 1.136 1
1 644 . 15 1 1 A 57 57 LEU CA C 57 52.710 52.993 -0.283 1
1 645 . 15 1 1 A 57 57 LEU CB C 57 42.480 44.649 -2.169 1
1 649 . 15 1 1 A 57 57 LEU N N 57 122.967 127.894 -4.927 1
1 650 . 15 1 1 A 58 58 THR H H 58 9.001 8.697 0.304 1
1 651 . 15 1 1 A 58 58 THR HA H 58 4.508 4.626 -0.118 1
1 656 . 15 1 1 A 58 58 THR CA C 58 60.440 60.162 0.278 1
1 657 . 15 1 1 A 58 58 THR CB C 58 71.960 71.595 0.365 1
1 659 . 15 1 1 A 58 58 THR N N 58 116.533 115.071 1.462 1
1 660 . 15 1 1 A 60 60 GLN HA H 60 4.433 4.574 -0.141 1
1 665 . 15 1 1 A 60 60 GLN C C 60 174.738 176.523 -1.785 1
1 666 . 15 1 1 A 60 60 GLN CA C 60 55.280 56.256 -0.976 1
1 667 . 15 1 1 A 60 60 GLN CB C 60 28.190 31.977 -3.787 1
1 669 . 15 1 1 A 61 61 ASN H H 61 8.333 8.502 -0.169 1
1 670 . 15 1 1 A 61 61 ASN HA H 61 4.262 4.487 -0.225 1
1 675 . 15 1 1 A 61 61 ASN C C 61 174.725 175.379 -0.654 1
1 676 . 15 1 1 A 61 61 ASN CA C 61 54.130 55.931 -1.801 1
1 677 . 15 1 1 A 61 61 ASN CB C 61 37.560 38.156 -0.596 1
1 678 . 15 1 1 A 61 61 ASN N N 61 116.480 117.241 -0.761 1
1 680 . 15 1 1 A 62 62 LYS H H 62 7.111 7.795 -0.684 1
1 681 . 15 1 1 A 62 62 LYS HA H 62 4.520 4.689 -0.169 1
1 690 . 15 1 1 A 62 62 LYS C C 62 174.057 174.088 -0.031 1
1 691 . 15 1 1 A 62 62 LYS CA C 62 53.930 54.823 -0.893 1
1 692 . 15 1 1 A 62 62 LYS CB C 62 34.060 34.870 -0.810 1
1 696 . 15 1 1 A 62 62 LYS N N 62 116.535 116.060 0.475 1
1 697 . 15 1 1 A 63 63 LEU H H 63 6.706 8.614 -1.908 1
1 698 . 15 1 1 A 63 63 LEU HA H 63 5.093 5.194 -0.101 1
1 708 . 15 1 1 A 63 63 LEU C C 63 175.503 174.964 0.539 1
1 709 . 15 1 1 A 63 63 LEU CA C 63 53.330 52.920 0.410 1
1 710 . 15 1 1 A 63 63 LEU CB C 63 43.280 46.268 -2.988 1
1 714 . 15 1 1 A 63 63 LEU N N 63 119.236 113.881 5.355 1
1 715 . 15 1 1 A 64 64 ILE H H 64 8.471 8.920 -0.449 1
1 716 . 15 1 1 A 64 64 ILE HA H 64 4.429 5.006 -0.577 1
1 726 . 15 1 1 A 64 64 ILE C C 64 172.642 173.830 -1.188 1
1 727 . 15 1 1 A 64 64 ILE CA C 64 59.520 58.805 0.715 1
1 728 . 15 1 1 A 64 64 ILE CB C 64 42.740 42.393 0.347 1
1 732 . 15 1 1 A 64 64 ILE N N 64 116.258 114.559 1.699 1
1 733 . 15 1 1 A 65 65 LEU H H 65 8.429 8.813 -0.384 1
1 734 . 15 1 1 A 65 65 LEU HA H 65 5.543 5.207 0.336 1
1 744 . 15 1 1 A 65 65 LEU C C 65 176.050 174.895 1.155 1
1 745 . 15 1 1 A 65 65 LEU CA C 65 53.230 53.403 -0.173 1
1 746 . 15 1 1 A 65 65 LEU CB C 65 46.610 44.992 1.618 1
1 750 . 15 1 1 A 65 65 LEU N N 65 125.259 124.749 0.510 1
1 751 . 15 1 1 A 66 66 THR H H 66 9.302 8.791 0.511 1
1 752 . 15 1 1 A 66 66 THR HA H 66 4.905 4.817 0.088 1
1 757 . 15 1 1 A 66 66 THR C C 66 172.436 171.876 0.560 1
1 758 . 15 1 1 A 66 66 THR CA C 66 59.850 60.623 -0.773 1
1 759 . 15 1 1 A 66 66 THR CB C 66 71.650 69.927 1.723 1
1 761 . 15 1 1 A 66 66 THR N N 66 121.417 118.247 3.170 1
1 7 . 16 1 1 A 2 2 MET H H 2 8.334 8.233 0.101 1
1 8 . 16 1 1 A 2 2 MET HA H 2 4.432 5.187 -0.755 1
1 16 . 16 1 1 A 2 2 MET C C 2 176.391 176.353 0.038 1
1 17 . 16 1 1 A 2 2 MET CA C 2 55.880 52.749 3.131 1
1 18 . 16 1 1 A 2 2 MET CB C 2 32.400 35.529 -3.129 1
1 21 . 16 1 1 A 2 2 MET N N 2 121.118 116.258 4.860 1
1 22 . 16 1 1 A 3 3 THR H H 3 8.177 8.390 -0.213 1
1 23 . 16 1 1 A 3 3 THR HA H 3 4.338 4.457 -0.119 1
1 28 . 16 1 1 A 3 3 THR C C 3 174.455 174.692 -0.237 1
1 29 . 16 1 1 A 3 3 THR CA C 3 61.410 61.819 -0.409 1
1 30 . 16 1 1 A 3 3 THR CB C 3 69.710 68.858 0.852 1
1 32 . 16 1 1 A 3 3 THR N N 3 115.029 111.630 3.399 1
1 33 . 16 1 1 A 4 4 ALA H H 4 8.429 7.295 1.134 1
1 34 . 16 1 1 A 4 4 ALA HA H 4 4.303 4.338 -0.035 1
1 38 . 16 1 1 A 4 4 ALA C C 4 178.127 176.309 1.818 1
1 39 . 16 1 1 A 4 4 ALA CA C 4 52.580 51.874 0.706 1
1 40 . 16 1 1 A 4 4 ALA CB C 4 19.370 17.577 1.793 1
1 41 . 16 1 1 A 4 4 ALA N N 4 126.222 126.253 -0.031 1
1 42 . 16 1 1 A 5 5 SER H H 5 8.257 8.228 0.029 1
1 43 . 16 1 1 A 5 5 SER HA H 5 4.352 5.087 -0.735 1
1 46 . 16 1 1 A 5 5 SER C C 5 174.687 173.019 1.668 1
1 47 . 16 1 1 A 5 5 SER CA C 5 58.790 57.452 1.338 1
1 48 . 16 1 1 A 5 5 SER CB C 5 63.720 64.033 -0.313 1
1 49 . 16 1 1 A 5 5 SER N N 5 114.762 118.548 -3.786 1
1 50 . 16 1 1 A 6 6 ASP H H 6 8.186 8.684 -0.498 1
1 51 . 16 1 1 A 6 6 ASP HA H 6 4.547 5.157 -0.610 1
1 54 . 16 1 1 A 6 6 ASP C C 6 176.423 175.458 0.965 1
1 55 . 16 1 1 A 6 6 ASP CA C 6 54.760 52.887 1.873 1
1 56 . 16 1 1 A 6 6 ASP CB C 6 41.110 42.252 -1.142 1
1 57 . 16 1 1 A 6 6 ASP N N 6 122.104 124.399 -2.295 1
1 58 . 16 1 1 A 7 7 ARG H H 7 8.063 8.566 -0.503 1
1 59 . 16 1 1 A 7 7 ARG HA H 7 4.276 4.811 -0.535 1
1 66 . 16 1 1 A 7 7 ARG C C 7 176.455 176.070 0.385 1
1 67 . 16 1 1 A 7 7 ARG CA C 7 56.310 55.986 0.324 1
1 68 . 16 1 1 A 7 7 ARG CB C 7 30.470 31.032 -0.562 1
1 71 . 16 1 1 A 7 7 ARG N N 7 120.343 123.129 -2.786 1
1 72 . 16 1 1 A 8 8 LEU H H 8 8.157 8.637 -0.480 1
1 73 . 16 1 1 A 8 8 LEU HA H 8 4.288 5.093 -0.805 1
1 83 . 16 1 1 A 8 8 LEU C C 8 177.940 175.786 2.154 1
1 84 . 16 1 1 A 8 8 LEU CA C 8 55.630 52.669 2.961 1
1 85 . 16 1 1 A 8 8 LEU CB C 8 42.540 45.356 -2.816 1
1 89 . 16 1 1 A 8 8 LEU N N 8 122.546 122.059 0.487 1
1 90 . 16 1 1 A 9 9 GLY H H 9 8.290 8.274 0.016 1
1 91 . 16 1 1 A 9 9 GLY HA2 H 9 3.896 3.992 -0.096 1
1 92 . 16 1 1 A 9 9 GLY HA3 H 9 3.896 3.992 -0.096 1
1 93 . 16 1 1 A 9 9 GLY C C 9 173.664 174.785 -1.121 1
1 94 . 16 1 1 A 9 9 GLY CA C 9 45.320 45.464 -0.144 1
1 95 . 16 1 1 A 9 9 GLY N N 9 109.549 106.822 2.727 1
1 96 . 16 1 1 A 10 10 ALA H H 10 7.980 8.020 -0.040 1
1 97 . 16 1 1 A 10 10 ALA HA H 10 4.276 4.055 0.221 1
1 101 . 16 1 1 A 10 10 ALA C C 10 177.182 176.512 0.670 1
1 102 . 16 1 1 A 10 10 ALA CA C 10 52.130 52.765 -0.635 1
1 103 . 16 1 1 A 10 10 ALA CB C 10 19.460 17.813 1.647 1
1 104 . 16 1 1 A 10 10 ALA N N 10 123.266 121.710 1.556 1
1 105 . 16 1 1 A 11 11 ASP H H 11 8.292 8.141 0.151 1
1 106 . 16 1 1 A 11 11 ASP HA H 11 4.840 4.697 0.143 1
1 109 . 16 1 1 A 11 11 ASP CA C 11 51.950 52.760 -0.810 1
1 110 . 16 1 1 A 11 11 ASP CB C 11 41.320 40.341 0.979 1
1 111 . 16 1 1 A 11 11 ASP N N 11 120.930 118.339 2.591 1
1 112 . 16 1 1 A 12 12 PRO HA H 12 4.450 4.590 -0.140 1
1 119 . 16 1 1 A 12 12 PRO C C 12 177.670 177.016 0.654 1
1 120 . 16 1 1 A 12 12 PRO CA C 12 63.940 62.851 1.089 1
1 121 . 16 1 1 A 12 12 PRO CB C 12 32.180 31.697 0.483 1
1 124 . 16 1 1 A 13 13 THR H H 13 8.304 8.262 0.042 1
1 125 . 16 1 1 A 13 13 THR HA H 13 4.234 4.323 -0.089 1
1 130 . 16 1 1 A 13 13 THR C C 13 175.085 174.245 0.840 1
1 131 . 16 1 1 A 13 13 THR CA C 13 62.770 61.115 1.655 1
1 132 . 16 1 1 A 13 13 THR CB C 13 69.509 69.341 0.168 1
1 134 . 16 1 1 A 13 13 THR N N 13 112.749 112.883 -0.134 1
1 135 . 16 1 1 A 14 14 GLN H H 14 7.963 8.517 -0.554 1
1 136 . 16 1 1 A 14 14 GLN HA H 14 4.282 4.665 -0.383 1
1 141 . 16 1 1 A 14 14 GLN C C 14 175.773 174.557 1.216 1
1 142 . 16 1 1 A 14 14 GLN CA C 14 55.770 55.279 0.491 1
1 143 . 16 1 1 A 14 14 GLN CB C 14 29.440 29.083 0.357 1
1 145 . 16 1 1 A 14 14 GLN N N 14 121.849 126.018 -4.169 1
1 146 . 16 1 1 A 15 15 ALA H H 15 8.150 8.647 -0.497 1
1 147 . 16 1 1 A 15 15 ALA HA H 15 4.237 4.815 -0.578 1
1 151 . 16 1 1 A 15 15 ALA C C 15 177.587 176.987 0.600 1
1 152 . 16 1 1 A 15 15 ALA CA C 15 52.750 51.466 1.284 1
1 153 . 16 1 1 A 15 15 ALA CB C 15 19.180 19.934 -0.754 1
1 154 . 16 1 1 A 15 15 ALA N N 15 125.125 128.133 -3.008 1
1 155 . 16 1 1 A 16 16 ALA H H 16 8.234 8.599 -0.365 1
1 156 . 16 1 1 A 16 16 ALA HA H 16 4.291 4.308 -0.017 1
1 160 . 16 1 1 A 16 16 ALA C C 16 177.741 176.208 1.533 1
1 161 . 16 1 1 A 16 16 ALA CA C 16 52.410 51.725 0.685 1
1 162 . 16 1 1 A 16 16 ALA CB C 16 19.130 17.367 1.763 1
1 163 . 16 1 1 A 16 16 ALA N N 16 123.189 124.355 -1.166 1
1 164 . 16 1 1 A 17 17 SER H H 17 8.162 8.321 -0.159 1
1 165 . 16 1 1 A 17 17 SER HA H 17 4.431 4.656 -0.225 1
1 168 . 16 1 1 A 17 17 SER CA C 17 58.160 58.282 -0.122 1
1 169 . 16 1 1 A 17 17 SER CB C 17 64.030 62.144 1.886 1
1 170 . 16 1 1 A 17 17 SER N N 17 114.762 119.082 -4.320 1
1 171 . 16 1 1 A 18 18 SER H H 18 8.246 8.478 -0.232 1
1 172 . 16 1 1 A 18 18 SER HA H 18 4.747 4.984 -0.237 1
1 173 . 16 1 1 A 18 18 SER CA C 18 58.640 55.716 2.924 1
1 174 . 16 1 1 A 18 18 SER N N 18 118.482 124.151 -5.669 1
1 175 . 16 1 1 A 19 19 PRO HA H 19 4.426 4.543 -0.117 1
1 182 . 16 1 1 A 19 19 PRO CA C 19 63.790 63.165 0.625 1
1 183 . 16 1 1 A 19 19 PRO CB C 19 32.220 32.024 0.196 1
1 186 . 16 1 1 A 20 20 GLY H H 20 8.452 8.656 -0.204 1
1 187 . 16 1 1 A 20 20 GLY HA2 H 20 3.938 4.184 -0.246 1
1 188 . 16 1 1 A 20 20 GLY HA3 H 20 3.938 4.184 -0.246 1
1 189 . 16 1 1 A 20 20 GLY C C 20 174.674 173.923 0.751 1
1 190 . 16 1 1 A 20 20 GLY CA C 20 45.330 45.983 -0.653 1
1 191 . 16 1 1 A 20 20 GLY N N 20 109.329 109.034 0.295 1
1 192 . 16 1 1 A 21 21 GLY H H 21 8.217 8.717 -0.500 1
1 193 . 16 1 1 A 21 21 GLY HA2 H 21 3.946 4.059 -0.113 1
1 194 . 16 1 1 A 21 21 GLY HA3 H 21 3.946 4.059 -0.113 1
1 195 . 16 1 1 A 21 21 GLY C C 21 173.555 172.741 0.814 1
1 196 . 16 1 1 A 21 21 GLY CA C 21 45.390 45.090 0.300 1
1 197 . 16 1 1 A 21 21 GLY N N 21 108.749 111.144 -2.395 1
1 198 . 16 1 1 A 22 22 ALA H H 22 8.147 8.246 -0.099 1
1 199 . 16 1 1 A 22 22 ALA HA H 22 4.866 4.578 0.288 1
1 203 . 16 1 1 A 22 22 ALA C C 22 176.931 177.057 -0.126 1
1 204 . 16 1 1 A 22 22 ALA CA C 22 51.910 51.664 0.246 1
1 205 . 16 1 1 A 22 22 ALA CB C 22 20.490 19.034 1.456 1
1 206 . 16 1 1 A 22 22 ALA N N 22 124.041 122.314 1.727 1
1 207 . 16 1 1 A 23 23 ARG H H 23 8.699 8.268 0.431 1
1 208 . 16 1 1 A 23 23 ARG HA H 23 4.641 4.359 0.282 1
1 215 . 16 1 1 A 23 23 ARG C C 23 173.587 175.522 -1.935 1
1 216 . 16 1 1 A 23 23 ARG CA C 23 55.000 56.163 -1.163 1
1 217 . 16 1 1 A 23 23 ARG CB C 23 32.420 30.494 1.926 1
1 220 . 16 1 1 A 23 23 ARG N N 23 120.753 123.387 -2.634 1
1 221 . 16 1 1 A 24 24 ALA H H 24 8.408 8.766 -0.358 1
1 222 . 16 1 1 A 24 24 ALA HA H 24 5.145 5.230 -0.085 1
1 226 . 16 1 1 A 24 24 ALA C C 24 177.092 176.930 0.162 1
1 227 . 16 1 1 A 24 24 ALA CA C 24 51.160 50.445 0.715 1
1 228 . 16 1 1 A 24 24 ALA CB C 24 21.490 20.717 0.773 1
1 229 . 16 1 1 A 24 24 ALA N N 24 124.606 126.177 -1.571 1
1 230 . 16 1 1 A 25 25 VAL H H 25 8.842 8.988 -0.146 1
1 231 . 16 1 1 A 25 25 VAL HA H 25 4.411 4.864 -0.453 1
1 239 . 16 1 1 A 25 25 VAL C C 25 174.558 174.658 -0.100 1
1 240 . 16 1 1 A 25 25 VAL CA C 25 60.160 59.459 0.701 1
1 241 . 16 1 1 A 25 25 VAL CB C 25 34.450 34.533 -0.083 1
1 244 . 16 1 1 A 25 25 VAL N N 25 120.299 118.294 2.005 1
1 245 . 16 1 1 A 26 26 SER H H 26 8.744 8.678 0.066 1
1 246 . 16 1 1 A 26 26 SER HA H 26 4.747 5.087 -0.340 1
1 249 . 16 1 1 A 26 26 SER C C 26 173.304 173.189 0.115 1
1 250 . 16 1 1 A 26 26 SER CA C 26 58.720 57.849 0.871 1
1 251 . 16 1 1 A 26 26 SER CB C 26 63.910 64.779 -0.869 1
1 252 . 16 1 1 A 26 26 SER N N 26 121.229 120.913 0.316 1
1 253 . 16 1 1 A 27 27 ILE H H 27 8.716 8.776 -0.060 1
1 254 . 16 1 1 A 27 27 ILE HA H 27 4.360 4.937 -0.577 1
1 264 . 16 1 1 A 27 27 ILE C C 27 175.478 174.316 1.162 1
1 265 . 16 1 1 A 27 27 ILE CA C 27 60.670 60.472 0.198 1
1 266 . 16 1 1 A 27 27 ILE CB C 27 39.210 41.442 -2.232 1
1 270 . 16 1 1 A 27 27 ILE N N 27 124.450 123.556 0.894 1
1 271 . 16 1 1 A 28 28 VAL H H 28 8.426 8.410 0.016 1
1 272 . 16 1 1 A 28 28 VAL HA H 28 4.298 4.745 -0.447 1
1 280 . 16 1 1 A 28 28 VAL CA C 28 61.850 60.864 0.986 1
1 281 . 16 1 1 A 28 28 VAL CB C 28 32.790 32.411 0.379 1
1 284 . 16 1 1 A 28 28 VAL N N 28 128.723 123.481 5.242 1
1 285 . 16 1 1 A 29 29 GLY H H 29 8.953 8.958 -0.005 1
1 286 . 16 1 1 A 29 29 GLY HA2 H 29 3.988 3.859 0.129 1
1 287 . 16 1 1 A 29 29 GLY HA3 H 29 3.725 3.859 -0.134 1
1 288 . 16 1 1 A 29 29 GLY C C 29 176.487 174.234 2.253 1
1 289 . 16 1 1 A 29 29 GLY CA C 29 47.610 47.340 0.270 1
1 290 . 16 1 1 A 29 29 GLY N N 29 120.095 115.574 4.521 1
1 291 . 16 1 1 A 30 30 ASN H H 30 8.566 8.110 0.456 1
1 292 . 16 1 1 A 30 30 ASN HA H 30 4.422 4.966 -0.544 1
1 297 . 16 1 1 A 30 30 ASN C C 30 172.841 174.640 -1.799 1
1 298 . 16 1 1 A 30 30 ASN CA C 30 53.100 52.274 0.826 1
1 299 . 16 1 1 A 30 30 ASN CB C 30 38.630 39.523 -0.893 1
1 300 . 16 1 1 A 30 30 ASN N N 30 120.808 119.804 1.004 1
1 302 . 16 1 1 A 31 31 GLN H H 31 7.713 7.340 0.373 1
1 303 . 16 1 1 A 31 31 GLN HA H 31 5.672 5.020 0.652 1
1 310 . 16 1 1 A 31 31 GLN C C 31 174.828 174.414 0.414 1
1 311 . 16 1 1 A 31 31 GLN CA C 31 54.730 54.691 0.039 1
1 312 . 16 1 1 A 31 31 GLN CB C 31 32.800 32.092 0.708 1
1 314 . 16 1 1 A 31 31 GLN N N 31 118.262 119.579 -1.317 1
1 316 . 16 1 1 A 32 32 ILE H H 32 9.113 8.632 0.481 1
1 317 . 16 1 1 A 32 32 ILE HA H 32 4.454 4.648 -0.194 1
1 327 . 16 1 1 A 32 32 ILE C C 32 173.439 172.710 0.729 1
1 328 . 16 1 1 A 32 32 ILE CA C 32 59.610 59.373 0.237 1
1 329 . 16 1 1 A 32 32 ILE CB C 32 42.350 41.331 1.019 1
1 333 . 16 1 1 A 32 32 ILE N N 32 124.849 122.872 1.977 1
1 334 . 16 1 1 A 33 33 ASP H H 33 9.066 8.827 0.239 1
1 335 . 16 1 1 A 33 33 ASP HA H 33 5.077 5.073 0.004 1
1 338 . 16 1 1 A 33 33 ASP C C 33 178.378 177.508 0.870 1
1 339 . 16 1 1 A 33 33 ASP CA C 33 53.460 53.226 0.234 1
1 340 . 16 1 1 A 33 33 ASP CB C 33 43.180 43.430 -0.250 1
1 341 . 16 1 1 A 33 33 ASP N N 33 127.594 128.214 -0.620 1
1 342 . 16 1 1 A 34 34 SER H H 34 9.524 9.028 0.496 1
1 343 . 16 1 1 A 34 34 SER HA H 34 3.902 4.334 -0.432 1
1 346 . 16 1 1 A 34 34 SER C C 34 175.876 176.942 -1.066 1
1 347 . 16 1 1 A 34 34 SER CA C 34 61.980 61.386 0.594 1
1 348 . 16 1 1 A 34 34 SER CB C 34 61.510 63.046 -1.536 1
1 349 . 16 1 1 A 34 34 SER N N 34 125.026 120.999 4.027 1
1 350 . 16 1 1 A 35 35 ARG H H 35 9.022 8.129 0.893 1
1 351 . 16 1 1 A 35 35 ARG HA H 35 4.235 4.115 0.120 1
1 358 . 16 1 1 A 35 35 ARG C C 35 178.661 178.657 0.004 1
1 359 . 16 1 1 A 35 35 ARG CA C 35 58.840 59.474 -0.634 1
1 360 . 16 1 1 A 35 35 ARG CB C 35 29.970 29.796 0.174 1
1 363 . 16 1 1 A 35 35 ARG N N 35 122.601 122.490 0.111 1
1 364 . 16 1 1 A 36 36 GLU H H 36 7.689 7.680 0.009 1
1 365 . 16 1 1 A 36 36 GLU HA H 36 4.202 4.022 0.180 1
1 370 . 16 1 1 A 36 36 GLU C C 36 177.285 179.155 -1.870 1
1 371 . 16 1 1 A 36 36 GLU CA C 36 57.340 58.811 -1.471 1
1 372 . 16 1 1 A 36 36 GLU CB C 36 30.910 29.340 1.570 1
1 374 . 16 1 1 A 36 36 GLU N N 36 115.420 118.805 -3.385 1
1 375 . 16 1 1 A 37 37 LEU H H 37 7.280 7.949 -0.669 1
1 376 . 16 1 1 A 37 37 LEU HA H 37 3.805 3.951 -0.146 1
1 386 . 16 1 1 A 37 37 LEU C C 37 176.410 177.945 -1.535 1
1 387 . 16 1 1 A 37 37 LEU CA C 37 56.790 57.454 -0.664 1
1 388 . 16 1 1 A 37 37 LEU CB C 37 42.510 41.900 0.610 1
1 392 . 16 1 1 A 37 37 LEU N N 37 117.043 119.601 -2.558 1
1 393 . 16 1 1 A 38 38 PHE H H 38 7.431 7.962 -0.531 1
1 394 . 16 1 1 A 38 38 PHE HA H 38 4.884 4.706 0.178 1
1 402 . 16 1 1 A 38 38 PHE C C 38 176.018 176.153 -0.135 1
1 403 . 16 1 1 A 38 38 PHE CA C 38 57.320 57.471 -0.151 1
1 404 . 16 1 1 A 38 38 PHE CB C 38 38.500 38.309 0.191 1
1 408 . 16 1 1 A 38 38 PHE N N 38 115.439 115.170 0.269 1
1 409 . 16 1 1 A 39 39 THR H H 39 7.632 7.707 -0.075 1
1 410 . 16 1 1 A 39 39 THR HA H 39 4.256 4.072 0.184 1
1 415 . 16 1 1 A 39 39 THR C C 39 175.986 175.621 0.365 1
1 416 . 16 1 1 A 39 39 THR CA C 39 62.630 65.237 -2.607 1
1 417 . 16 1 1 A 39 39 THR CB C 39 69.240 68.998 0.242 1
1 419 . 16 1 1 A 39 39 THR N N 39 112.395 115.321 -2.926 1
1 420 . 16 1 1 A 40 40 VAL H H 40 8.246 7.708 0.538 1
1 421 . 16 1 1 A 40 40 VAL HA H 40 4.121 4.211 -0.090 1
1 429 . 16 1 1 A 40 40 VAL C C 40 175.233 175.651 -0.418 1
1 430 . 16 1 1 A 40 40 VAL CA C 40 63.340 63.700 -0.360 1
1 431 . 16 1 1 A 40 40 VAL CB C 40 32.870 33.945 -1.075 1
1 434 . 16 1 1 A 40 40 VAL N N 40 118.329 119.347 -1.018 1
1 435 . 16 1 1 A 41 41 ASP H H 41 8.048 7.875 0.173 1
1 436 . 16 1 1 A 41 41 ASP HA H 41 4.792 4.801 -0.009 1
1 439 . 16 1 1 A 41 41 ASP CA C 41 53.950 53.656 0.294 1
1 440 . 16 1 1 A 41 41 ASP CB C 41 43.630 42.333 1.297 1
1 441 . 16 1 1 A 41 41 ASP N N 41 120.465 119.684 0.781 1
1 442 . 16 1 1 A 42 42 ARG H H 42 8.639 8.856 -0.217 1
1 443 . 16 1 1 A 42 42 ARG HA H 42 4.157 4.726 -0.569 1
1 450 . 16 1 1 A 42 42 ARG C C 42 173.606 175.546 -1.940 1
1 451 . 16 1 1 A 42 42 ARG CA C 42 56.340 55.917 0.423 1
1 452 . 16 1 1 A 42 42 ARG CB C 42 29.930 32.087 -2.157 1
1 455 . 16 1 1 A 42 42 ARG N N 42 116.578 121.561 -4.983 1
1 456 . 16 1 1 A 43 43 GLU H H 43 7.452 7.828 -0.376 1
1 457 . 16 1 1 A 43 43 GLU HA H 43 5.413 5.265 0.148 1
1 462 . 16 1 1 A 43 43 GLU C C 43 174.192 174.331 -0.139 1
1 463 . 16 1 1 A 43 43 GLU CA C 43 55.100 55.947 -0.847 1
1 464 . 16 1 1 A 43 43 GLU CB C 43 34.110 33.253 0.857 1
1 466 . 16 1 1 A 43 43 GLU N N 43 116.369 118.409 -2.040 1
1 467 . 16 1 1 A 44 44 ILE H H 44 9.056 9.501 -0.445 1
1 468 . 16 1 1 A 44 44 ILE HA H 44 4.696 5.034 -0.338 1
1 478 . 16 1 1 A 44 44 ILE C C 44 173.831 174.527 -0.696 1
1 479 . 16 1 1 A 44 44 ILE CA C 44 58.070 59.666 -1.596 1
1 480 . 16 1 1 A 44 44 ILE CB C 44 41.140 41.330 -0.190 1
1 484 . 16 1 1 A 44 44 ILE N N 44 123.963 127.264 -3.301 1
1 485 . 16 1 1 A 45 45 VAL H H 45 8.740 9.049 -0.309 1
1 486 . 16 1 1 A 45 45 VAL HA H 45 4.850 4.787 0.063 1
1 494 . 16 1 1 A 45 45 VAL C C 45 175.175 175.218 -0.043 1
1 495 . 16 1 1 A 45 45 VAL CA C 45 60.990 61.535 -0.545 1
1 496 . 16 1 1 A 45 45 VAL CB C 45 33.810 33.357 0.453 1
1 499 . 16 1 1 A 45 45 VAL N N 45 126.299 127.069 -0.770 1
1 500 . 16 1 1 A 46 46 ILE H H 46 9.367 9.399 -0.032 1
1 501 . 16 1 1 A 46 46 ILE HA H 46 4.830 4.788 0.042 1
1 511 . 16 1 1 A 46 46 ILE C C 46 175.433 174.903 0.530 1
1 512 . 16 1 1 A 46 46 ILE CA C 46 59.350 60.551 -1.201 1
1 513 . 16 1 1 A 46 46 ILE CB C 46 39.410 40.055 -0.645 1
1 517 . 16 1 1 A 46 46 ILE N N 46 126.797 127.983 -1.186 1
1 518 . 16 1 1 A 47 47 ALA H H 47 9.173 8.866 0.307 1
1 519 . 16 1 1 A 47 47 ALA HA H 47 4.790 4.896 -0.106 1
1 523 . 16 1 1 A 47 47 ALA C C 47 175.394 176.954 -1.560 1
1 524 . 16 1 1 A 47 47 ALA CA C 47 51.500 51.680 -0.180 1
1 525 . 16 1 1 A 47 47 ALA CB C 47 19.020 20.159 -1.139 1
1 526 . 16 1 1 A 47 47 ALA N N 47 131.668 131.200 0.468 1
1 527 . 16 1 1 A 48 48 HIS H H 48 8.473 9.205 -0.732 1
1 528 . 16 1 1 A 48 48 HIS HA H 48 5.394 4.882 0.512 1
1 533 . 16 1 1 A 48 48 HIS C C 48 175.182 175.145 0.037 1
1 534 . 16 1 1 A 48 48 HIS CA C 48 54.520 55.444 -0.924 1
1 535 . 16 1 1 A 48 48 HIS CB C 48 33.190 31.794 1.396 1
1 538 . 16 1 1 A 48 48 HIS N N 48 126.144 122.758 3.386 1
1 539 . 16 1 1 A 49 49 GLY H H 49 8.847 8.873 -0.026 1
1 540 . 16 1 1 A 49 49 GLY HA2 H 49 3.795 3.599 0.196 1
1 541 . 16 1 1 A 49 49 GLY HA3 H 49 3.549 3.645 -0.096 1
1 542 . 16 1 1 A 49 49 GLY CA C 49 46.950 47.131 -0.181 1
1 543 . 16 1 1 A 49 49 GLY N N 49 117.318 115.878 1.440 1
1 544 . 16 1 1 A 50 50 ASP HA H 50 4.639 4.669 -0.030 1
1 547 . 16 1 1 A 50 50 ASP C C 50 175.825 174.958 0.867 1
1 548 . 16 1 1 A 50 50 ASP CA C 50 55.070 54.295 0.775 1
1 549 . 16 1 1 A 50 50 ASP CB C 50 31.070 41.406 -10.336 1
1 550 . 16 1 1 A 51 51 ASP H H 51 8.166 7.247 0.919 1
1 551 . 16 1 1 A 51 51 ASP HA H 51 4.810 4.891 -0.081 1
1 554 . 16 1 1 A 51 51 ASP C C 51 176.635 174.966 1.669 1
1 555 . 16 1 1 A 51 51 ASP CA C 51 53.950 53.509 0.441 1
1 556 . 16 1 1 A 51 51 ASP CB C 51 43.250 43.237 0.013 1
1 557 . 16 1 1 A 51 51 ASP N N 51 120.310 120.890 -0.580 1
1 558 . 16 1 1 A 52 52 ARG H H 52 8.784 8.319 0.465 1
1 559 . 16 1 1 A 52 52 ARG HA H 52 4.970 5.221 -0.251 1
1 566 . 16 1 1 A 52 52 ARG C C 52 174.757 174.580 0.177 1
1 567 . 16 1 1 A 52 52 ARG CA C 52 54.250 54.215 0.035 1
1 568 . 16 1 1 A 52 52 ARG CB C 52 31.440 34.556 -3.116 1
1 571 . 16 1 1 A 52 52 ARG N N 52 123.348 122.787 0.561 1
1 572 . 16 1 1 A 53 53 TYR H H 53 8.850 9.464 -0.614 1
1 573 . 16 1 1 A 53 53 TYR HA H 53 4.806 5.270 -0.464 1
1 580 . 16 1 1 A 53 53 TYR C C 53 174.989 175.137 -0.148 1
1 581 . 16 1 1 A 53 53 TYR CA C 53 56.850 56.789 0.061 1
1 582 . 16 1 1 A 53 53 TYR CB C 53 41.480 43.152 -1.672 1
1 585 . 16 1 1 A 53 53 TYR N N 53 122.391 121.964 0.427 1
1 586 . 16 1 1 A 54 54 ARG H H 54 9.387 9.142 0.245 1
1 587 . 16 1 1 A 54 54 ARG HA H 54 4.936 5.488 -0.552 1
1 594 . 16 1 1 A 54 54 ARG C C 54 174.076 174.633 -0.557 1
1 595 . 16 1 1 A 54 54 ARG CA C 54 55.100 54.653 0.447 1
1 596 . 16 1 1 A 54 54 ARG CB C 54 31.750 32.934 -1.184 1
1 599 . 16 1 1 A 54 54 ARG N N 54 120.797 119.954 0.843 1
1 600 . 16 1 1 A 55 55 LEU H H 55 9.271 8.909 0.362 1
1 601 . 16 1 1 A 55 55 LEU HA H 55 5.237 4.942 0.295 1
1 611 . 16 1 1 A 55 55 LEU C C 55 174.841 175.589 -0.748 1
1 612 . 16 1 1 A 55 55 LEU CA C 55 53.590 54.644 -1.054 1
1 613 . 16 1 1 A 55 55 LEU CB C 55 43.470 43.257 0.213 1
1 617 . 16 1 1 A 55 55 LEU N N 55 128.735 128.251 0.484 1
1 618 . 16 1 1 A 56 56 ARG H H 56 9.000 9.155 -0.155 1
1 619 . 16 1 1 A 56 56 ARG HA H 56 5.110 5.174 -0.064 1
1 626 . 16 1 1 A 56 56 ARG C C 56 173.413 173.784 -0.371 1
1 627 . 16 1 1 A 56 56 ARG CA C 56 54.440 54.445 -0.005 1
1 628 . 16 1 1 A 56 56 ARG CB C 56 34.540 33.261 1.279 1
1 631 . 16 1 1 A 56 56 ARG N N 56 125.280 128.494 -3.214 1
1 632 . 16 1 1 A 57 57 LEU H H 57 7.631 8.768 -1.137 1
1 633 . 16 1 1 A 57 57 LEU HA H 57 4.667 4.789 -0.122 1
1 643 . 16 1 1 A 57 57 LEU C C 57 177.709 176.590 1.119 1
1 644 . 16 1 1 A 57 57 LEU CA C 57 52.710 53.033 -0.323 1
1 645 . 16 1 1 A 57 57 LEU CB C 57 42.480 43.895 -1.415 1
1 649 . 16 1 1 A 57 57 LEU N N 57 122.967 128.026 -5.059 1
1 650 . 16 1 1 A 58 58 THR H H 58 9.001 8.729 0.272 1
1 651 . 16 1 1 A 58 58 THR HA H 58 4.508 4.611 -0.103 1
1 656 . 16 1 1 A 58 58 THR CA C 58 60.440 60.282 0.158 1
1 657 . 16 1 1 A 58 58 THR CB C 58 71.960 71.344 0.616 1
1 659 . 16 1 1 A 58 58 THR N N 58 116.533 115.238 1.295 1
1 660 . 16 1 1 A 60 60 GLN HA H 60 4.433 4.426 0.007 1
1 665 . 16 1 1 A 60 60 GLN C C 60 174.738 176.743 -2.005 1
1 666 . 16 1 1 A 60 60 GLN CA C 60 55.280 55.879 -0.599 1
1 667 . 16 1 1 A 60 60 GLN CB C 60 28.190 30.913 -2.723 1
1 669 . 16 1 1 A 61 61 ASN H H 61 8.333 8.656 -0.323 1
1 670 . 16 1 1 A 61 61 ASN HA H 61 4.262 4.390 -0.128 1
1 675 . 16 1 1 A 61 61 ASN C C 61 174.725 175.735 -1.010 1
1 676 . 16 1 1 A 61 61 ASN CA C 61 54.130 56.615 -2.485 1
1 677 . 16 1 1 A 61 61 ASN CB C 61 37.560 38.543 -0.983 1
1 678 . 16 1 1 A 61 61 ASN N N 61 116.480 118.640 -2.160 1
1 680 . 16 1 1 A 62 62 LYS H H 62 7.111 7.929 -0.818 1
1 681 . 16 1 1 A 62 62 LYS HA H 62 4.520 4.618 -0.098 1
1 690 . 16 1 1 A 62 62 LYS C C 62 174.057 173.993 0.064 1
1 691 . 16 1 1 A 62 62 LYS CA C 62 53.930 54.955 -1.025 1
1 692 . 16 1 1 A 62 62 LYS CB C 62 34.060 34.301 -0.241 1
1 696 . 16 1 1 A 62 62 LYS N N 62 116.535 112.973 3.562 1
1 697 . 16 1 1 A 63 63 LEU H H 63 6.706 8.512 -1.806 1
1 698 . 16 1 1 A 63 63 LEU HA H 63 5.093 5.323 -0.230 1
1 708 . 16 1 1 A 63 63 LEU C C 63 175.503 175.156 0.347 1
1 709 . 16 1 1 A 63 63 LEU CA C 63 53.330 52.751 0.579 1
1 710 . 16 1 1 A 63 63 LEU CB C 63 43.280 46.474 -3.194 1
1 714 . 16 1 1 A 63 63 LEU N N 63 119.236 113.955 5.281 1
1 715 . 16 1 1 A 64 64 ILE H H 64 8.471 8.905 -0.434 1
1 716 . 16 1 1 A 64 64 ILE HA H 64 4.429 4.973 -0.544 1
1 726 . 16 1 1 A 64 64 ILE C C 64 172.642 173.633 -0.991 1
1 727 . 16 1 1 A 64 64 ILE CA C 64 59.520 58.957 0.563 1
1 728 . 16 1 1 A 64 64 ILE CB C 64 42.740 42.288 0.452 1
1 732 . 16 1 1 A 64 64 ILE N N 64 116.258 113.917 2.341 1
1 733 . 16 1 1 A 65 65 LEU H H 65 8.429 8.863 -0.434 1
1 734 . 16 1 1 A 65 65 LEU HA H 65 5.543 5.420 0.123 1
1 744 . 16 1 1 A 65 65 LEU C C 65 176.050 174.873 1.177 1
1 745 . 16 1 1 A 65 65 LEU CA C 65 53.230 53.222 0.008 1
1 746 . 16 1 1 A 65 65 LEU CB C 65 46.610 45.252 1.358 1
1 750 . 16 1 1 A 65 65 LEU N N 65 125.259 124.383 0.876 1
1 751 . 16 1 1 A 66 66 THR H H 66 9.302 8.638 0.664 1
1 752 . 16 1 1 A 66 66 THR HA H 66 4.905 4.885 0.020 1
1 757 . 16 1 1 A 66 66 THR C C 66 172.436 172.431 0.005 1
1 758 . 16 1 1 A 66 66 THR CA C 66 59.850 60.464 -0.614 1
1 759 . 16 1 1 A 66 66 THR CB C 66 71.650 69.808 1.842 1
1 761 . 16 1 1 A 66 66 THR N N 66 121.417 118.717 2.700 1
1 7 . 17 1 1 A 2 2 MET H H 2 8.334 9.121 -0.787 1
1 8 . 17 1 1 A 2 2 MET HA H 2 4.432 5.363 -0.931 1
1 16 . 17 1 1 A 2 2 MET C C 2 176.391 175.204 1.187 1
1 17 . 17 1 1 A 2 2 MET CA C 2 55.880 54.155 1.725 1
1 18 . 17 1 1 A 2 2 MET CB C 2 32.400 35.173 -2.773 1
1 21 . 17 1 1 A 2 2 MET N N 2 121.118 123.692 -2.574 1
1 22 . 17 1 1 A 3 3 THR H H 3 8.177 8.737 -0.560 1
1 23 . 17 1 1 A 3 3 THR HA H 3 4.338 4.788 -0.450 1
1 28 . 17 1 1 A 3 3 THR C C 3 174.455 173.519 0.936 1
1 29 . 17 1 1 A 3 3 THR CA C 3 61.410 60.728 0.682 1
1 30 . 17 1 1 A 3 3 THR CB C 3 69.710 72.369 -2.659 1
1 32 . 17 1 1 A 3 3 THR N N 3 115.029 116.079 -1.050 1
1 33 . 17 1 1 A 4 4 ALA H H 4 8.429 8.576 -0.147 1
1 34 . 17 1 1 A 4 4 ALA HA H 4 4.303 5.007 -0.704 1
1 38 . 17 1 1 A 4 4 ALA C C 4 178.127 176.118 2.009 1
1 39 . 17 1 1 A 4 4 ALA CA C 4 52.580 51.287 1.293 1
1 40 . 17 1 1 A 4 4 ALA CB C 4 19.370 21.597 -2.227 1
1 41 . 17 1 1 A 4 4 ALA N N 4 126.222 125.271 0.951 1
1 42 . 17 1 1 A 5 5 SER H H 5 8.257 8.735 -0.478 1
1 43 . 17 1 1 A 5 5 SER HA H 5 4.352 4.878 -0.526 1
1 46 . 17 1 1 A 5 5 SER C C 5 174.687 173.175 1.512 1
1 47 . 17 1 1 A 5 5 SER CA C 5 58.790 57.445 1.345 1
1 48 . 17 1 1 A 5 5 SER CB C 5 63.720 63.844 -0.124 1
1 49 . 17 1 1 A 5 5 SER N N 5 114.762 118.604 -3.842 1
1 50 . 17 1 1 A 6 6 ASP H H 6 8.186 8.862 -0.676 1
1 51 . 17 1 1 A 6 6 ASP HA H 6 4.547 4.692 -0.145 1
1 54 . 17 1 1 A 6 6 ASP C C 6 176.423 175.638 0.785 1
1 55 . 17 1 1 A 6 6 ASP CA C 6 54.760 54.670 0.090 1
1 56 . 17 1 1 A 6 6 ASP CB C 6 41.110 41.647 -0.537 1
1 57 . 17 1 1 A 6 6 ASP N N 6 122.104 127.179 -5.075 1
1 58 . 17 1 1 A 7 7 ARG H H 7 8.063 8.465 -0.402 1
1 59 . 17 1 1 A 7 7 ARG HA H 7 4.276 4.535 -0.259 1
1 66 . 17 1 1 A 7 7 ARG C C 7 176.455 175.212 1.243 1
1 67 . 17 1 1 A 7 7 ARG CA C 7 56.310 55.101 1.209 1
1 68 . 17 1 1 A 7 7 ARG CB C 7 30.470 28.992 1.478 1
1 71 . 17 1 1 A 7 7 ARG N N 7 120.343 125.683 -5.340 1
1 72 . 17 1 1 A 8 8 LEU H H 8 8.157 8.623 -0.466 1
1 73 . 17 1 1 A 8 8 LEU HA H 8 4.288 4.605 -0.317 1
1 83 . 17 1 1 A 8 8 LEU C C 8 177.940 176.489 1.451 1
1 84 . 17 1 1 A 8 8 LEU CA C 8 55.630 54.486 1.144 1
1 85 . 17 1 1 A 8 8 LEU CB C 8 42.540 42.726 -0.186 1
1 89 . 17 1 1 A 8 8 LEU N N 8 122.546 127.380 -4.834 1
1 90 . 17 1 1 A 9 9 GLY H H 9 8.290 8.763 -0.473 1
1 91 . 17 1 1 A 9 9 GLY HA2 H 9 3.896 4.060 -0.164 1
1 92 . 17 1 1 A 9 9 GLY HA3 H 9 3.896 4.060 -0.164 1
1 93 . 17 1 1 A 9 9 GLY C C 9 173.664 172.664 1.000 1
1 94 . 17 1 1 A 9 9 GLY CA C 9 45.320 45.079 0.241 1
1 95 . 17 1 1 A 9 9 GLY N N 9 109.549 114.099 -4.550 1
1 96 . 17 1 1 A 10 10 ALA H H 10 7.980 8.628 -0.648 1
1 97 . 17 1 1 A 10 10 ALA HA H 10 4.276 4.856 -0.580 1
1 101 . 17 1 1 A 10 10 ALA C C 10 177.182 175.923 1.259 1
1 102 . 17 1 1 A 10 10 ALA CA C 10 52.130 51.322 0.808 1
1 103 . 17 1 1 A 10 10 ALA CB C 10 19.460 20.042 -0.582 1
1 104 . 17 1 1 A 10 10 ALA N N 10 123.266 123.306 -0.040 1
1 105 . 17 1 1 A 11 11 ASP H H 11 8.292 8.751 -0.459 1
1 106 . 17 1 1 A 11 11 ASP HA H 11 4.840 5.324 -0.484 1
1 109 . 17 1 1 A 11 11 ASP CA C 11 51.950 51.715 0.235 1
1 110 . 17 1 1 A 11 11 ASP CB C 11 41.320 41.812 -0.492 1
1 111 . 17 1 1 A 11 11 ASP N N 11 120.930 122.861 -1.931 1
1 112 . 17 1 1 A 12 12 PRO HA H 12 4.450 4.842 -0.392 1
1 119 . 17 1 1 A 12 12 PRO C C 12 177.670 176.316 1.354 1
1 120 . 17 1 1 A 12 12 PRO CA C 12 63.940 62.405 1.535 1
1 121 . 17 1 1 A 12 12 PRO CB C 12 32.180 31.868 0.312 1
1 124 . 17 1 1 A 13 13 THR H H 13 8.304 8.603 -0.299 1
1 125 . 17 1 1 A 13 13 THR HA H 13 4.234 4.784 -0.550 1
1 130 . 17 1 1 A 13 13 THR C C 13 175.085 173.683 1.402 1
1 131 . 17 1 1 A 13 13 THR CA C 13 62.770 61.306 1.464 1
1 132 . 17 1 1 A 13 13 THR CB C 13 69.509 70.139 -0.630 1
1 134 . 17 1 1 A 13 13 THR N N 13 112.749 116.952 -4.203 1
1 135 . 17 1 1 A 14 14 GLN H H 14 7.963 8.564 -0.601 1
1 136 . 17 1 1 A 14 14 GLN HA H 14 4.282 4.758 -0.476 1
1 141 . 17 1 1 A 14 14 GLN C C 14 175.773 173.839 1.934 1
1 142 . 17 1 1 A 14 14 GLN CA C 14 55.770 55.854 -0.084 1
1 143 . 17 1 1 A 14 14 GLN CB C 14 29.440 32.965 -3.525 1
1 145 . 17 1 1 A 14 14 GLN N N 14 121.849 127.438 -5.589 1
1 146 . 17 1 1 A 15 15 ALA H H 15 8.150 8.965 -0.815 1
1 147 . 17 1 1 A 15 15 ALA HA H 15 4.237 5.391 -1.154 1
1 151 . 17 1 1 A 15 15 ALA C C 15 177.587 175.566 2.021 1
1 152 . 17 1 1 A 15 15 ALA CA C 15 52.750 49.929 2.821 1
1 153 . 17 1 1 A 15 15 ALA CB C 15 19.180 23.007 -3.827 1
1 154 . 17 1 1 A 15 15 ALA N N 15 125.125 128.003 -2.878 1
1 155 . 17 1 1 A 16 16 ALA H H 16 8.234 8.646 -0.412 1
1 156 . 17 1 1 A 16 16 ALA HA H 16 4.291 5.005 -0.714 1
1 160 . 17 1 1 A 16 16 ALA C C 16 177.741 176.849 0.892 1
1 161 . 17 1 1 A 16 16 ALA CA C 16 52.410 50.316 2.094 1
1 162 . 17 1 1 A 16 16 ALA CB C 16 19.130 20.530 -1.400 1
1 163 . 17 1 1 A 16 16 ALA N N 16 123.189 122.982 0.207 1
1 164 . 17 1 1 A 17 17 SER H H 17 8.162 8.712 -0.550 1
1 165 . 17 1 1 A 17 17 SER HA H 17 4.431 4.511 -0.080 1
1 168 . 17 1 1 A 17 17 SER CA C 17 58.160 59.191 -1.031 1
1 169 . 17 1 1 A 17 17 SER CB C 17 64.030 62.394 1.636 1
1 170 . 17 1 1 A 17 17 SER N N 17 114.762 120.288 -5.526 1
1 171 . 17 1 1 A 18 18 SER H H 18 8.246 8.313 -0.067 1
1 172 . 17 1 1 A 18 18 SER HA H 18 4.747 4.465 0.282 1
1 173 . 17 1 1 A 18 18 SER CA C 18 58.640 56.806 1.834 1
1 174 . 17 1 1 A 18 18 SER N N 18 118.482 122.478 -3.996 1
1 175 . 17 1 1 A 19 19 PRO HA H 19 4.426 4.571 -0.145 1
1 182 . 17 1 1 A 19 19 PRO CA C 19 63.790 62.729 1.061 1
1 183 . 17 1 1 A 19 19 PRO CB C 19 32.220 32.120 0.100 1
1 186 . 17 1 1 A 20 20 GLY H H 20 8.452 8.592 -0.140 1
1 187 . 17 1 1 A 20 20 GLY HA2 H 20 3.938 3.965 -0.027 1
1 188 . 17 1 1 A 20 20 GLY HA3 H 20 3.938 3.968 -0.030 1
1 189 . 17 1 1 A 20 20 GLY C C 20 174.674 175.118 -0.444 1
1 190 . 17 1 1 A 20 20 GLY CA C 20 45.330 45.661 -0.331 1
1 191 . 17 1 1 A 20 20 GLY N N 20 109.329 109.080 0.249 1
1 192 . 17 1 1 A 21 21 GLY H H 21 8.217 8.724 -0.507 1
1 193 . 17 1 1 A 21 21 GLY HA2 H 21 3.946 3.871 0.075 1
1 194 . 17 1 1 A 21 21 GLY HA3 H 21 3.946 3.872 0.074 1
1 195 . 17 1 1 A 21 21 GLY C C 21 173.555 174.174 -0.619 1
1 196 . 17 1 1 A 21 21 GLY CA C 21 45.390 47.373 -1.983 1
1 197 . 17 1 1 A 21 21 GLY N N 21 108.749 112.307 -3.558 1
1 198 . 17 1 1 A 22 22 ALA H H 22 8.147 7.981 0.166 1
1 199 . 17 1 1 A 22 22 ALA HA H 22 4.866 4.687 0.179 1
1 203 . 17 1 1 A 22 22 ALA C C 22 176.931 176.686 0.245 1
1 204 . 17 1 1 A 22 22 ALA CA C 22 51.910 50.531 1.379 1
1 205 . 17 1 1 A 22 22 ALA CB C 22 20.490 21.109 -0.619 1
1 206 . 17 1 1 A 22 22 ALA N N 22 124.041 120.463 3.578 1
1 207 . 17 1 1 A 23 23 ARG H H 23 8.699 9.028 -0.329 1
1 208 . 17 1 1 A 23 23 ARG HA H 23 4.641 5.004 -0.363 1
1 215 . 17 1 1 A 23 23 ARG C C 23 173.587 174.426 -0.839 1
1 216 . 17 1 1 A 23 23 ARG CA C 23 55.000 54.198 0.802 1
1 217 . 17 1 1 A 23 23 ARG CB C 23 32.420 33.786 -1.366 1
1 220 . 17 1 1 A 23 23 ARG N N 23 120.753 120.937 -0.184 1
1 221 . 17 1 1 A 24 24 ALA H H 24 8.408 8.768 -0.360 1
1 222 . 17 1 1 A 24 24 ALA HA H 24 5.145 5.219 -0.074 1
1 226 . 17 1 1 A 24 24 ALA C C 24 177.092 176.840 0.252 1
1 227 . 17 1 1 A 24 24 ALA CA C 24 51.160 50.306 0.854 1
1 228 . 17 1 1 A 24 24 ALA CB C 24 21.490 20.798 0.692 1
1 229 . 17 1 1 A 24 24 ALA N N 24 124.606 123.650 0.956 1
1 230 . 17 1 1 A 25 25 VAL H H 25 8.842 8.956 -0.114 1
1 231 . 17 1 1 A 25 25 VAL HA H 25 4.411 4.905 -0.494 1
1 239 . 17 1 1 A 25 25 VAL C C 25 174.558 175.261 -0.703 1
1 240 . 17 1 1 A 25 25 VAL CA C 25 60.160 59.607 0.553 1
1 241 . 17 1 1 A 25 25 VAL CB C 25 34.450 34.413 0.037 1
1 244 . 17 1 1 A 25 25 VAL N N 25 120.299 118.594 1.705 1
1 245 . 17 1 1 A 26 26 SER H H 26 8.744 9.011 -0.267 1
1 246 . 17 1 1 A 26 26 SER HA H 26 4.747 5.218 -0.471 1
1 249 . 17 1 1 A 26 26 SER C C 26 173.304 174.075 -0.771 1
1 250 . 17 1 1 A 26 26 SER CA C 26 58.720 56.097 2.623 1
1 251 . 17 1 1 A 26 26 SER CB C 26 63.910 65.244 -1.334 1
1 252 . 17 1 1 A 26 26 SER N N 26 121.229 118.700 2.529 1
1 253 . 17 1 1 A 27 27 ILE H H 27 8.716 8.990 -0.274 1
1 254 . 17 1 1 A 27 27 ILE HA H 27 4.360 4.948 -0.588 1
1 264 . 17 1 1 A 27 27 ILE C C 27 175.478 174.591 0.887 1
1 265 . 17 1 1 A 27 27 ILE CA C 27 60.670 60.320 0.350 1
1 266 . 17 1 1 A 27 27 ILE CB C 27 39.210 40.466 -1.256 1
1 270 . 17 1 1 A 27 27 ILE N N 27 124.450 122.632 1.818 1
1 271 . 17 1 1 A 28 28 VAL H H 28 8.426 8.436 -0.010 1
1 272 . 17 1 1 A 28 28 VAL HA H 28 4.298 4.701 -0.403 1
1 280 . 17 1 1 A 28 28 VAL CA C 28 61.850 60.170 1.680 1
1 281 . 17 1 1 A 28 28 VAL CB C 28 32.790 33.807 -1.017 1
1 284 . 17 1 1 A 28 28 VAL N N 28 128.723 121.953 6.770 1
1 285 . 17 1 1 A 29 29 GLY H H 29 8.953 9.182 -0.229 1
1 286 . 17 1 1 A 29 29 GLY HA2 H 29 3.988 3.852 0.136 1
1 287 . 17 1 1 A 29 29 GLY HA3 H 29 3.725 3.853 -0.128 1
1 288 . 17 1 1 A 29 29 GLY C C 29 176.487 174.458 2.029 1
1 289 . 17 1 1 A 29 29 GLY CA C 29 47.610 46.805 0.805 1
1 290 . 17 1 1 A 29 29 GLY N N 29 120.095 114.507 5.588 1
1 291 . 17 1 1 A 30 30 ASN H H 30 8.566 8.761 -0.195 1
1 292 . 17 1 1 A 30 30 ASN HA H 30 4.422 4.470 -0.048 1
1 297 . 17 1 1 A 30 30 ASN C C 30 172.841 174.441 -1.600 1
1 298 . 17 1 1 A 30 30 ASN CA C 30 53.100 54.035 -0.935 1
1 299 . 17 1 1 A 30 30 ASN CB C 30 38.630 36.300 2.330 1
1 300 . 17 1 1 A 30 30 ASN N N 30 120.808 115.436 5.372 1
1 302 . 17 1 1 A 31 31 GLN H H 31 7.713 7.530 0.183 1
1 303 . 17 1 1 A 31 31 GLN HA H 31 5.672 4.901 0.771 1
1 310 . 17 1 1 A 31 31 GLN C C 31 174.828 174.130 0.698 1
1 311 . 17 1 1 A 31 31 GLN CA C 31 54.730 54.436 0.294 1
1 312 . 17 1 1 A 31 31 GLN CB C 31 32.800 32.136 0.664 1
1 314 . 17 1 1 A 31 31 GLN N N 31 118.262 120.016 -1.754 1
1 316 . 17 1 1 A 32 32 ILE H H 32 9.113 8.705 0.408 1
1 317 . 17 1 1 A 32 32 ILE HA H 32 4.454 4.651 -0.197 1
1 327 . 17 1 1 A 32 32 ILE C C 32 173.439 172.765 0.674 1
1 328 . 17 1 1 A 32 32 ILE CA C 32 59.610 59.399 0.211 1
1 329 . 17 1 1 A 32 32 ILE CB C 32 42.350 41.239 1.111 1
1 333 . 17 1 1 A 32 32 ILE N N 32 124.849 122.584 2.265 1
1 334 . 17 1 1 A 33 33 ASP H H 33 9.066 8.753 0.313 1
1 335 . 17 1 1 A 33 33 ASP HA H 33 5.077 5.090 -0.013 1
1 338 . 17 1 1 A 33 33 ASP C C 33 178.378 176.608 1.770 1
1 339 . 17 1 1 A 33 33 ASP CA C 33 53.460 53.120 0.340 1
1 340 . 17 1 1 A 33 33 ASP CB C 33 43.180 42.856 0.324 1
1 341 . 17 1 1 A 33 33 ASP N N 33 127.594 128.397 -0.803 1
1 342 . 17 1 1 A 34 34 SER H H 34 9.524 9.229 0.295 1
1 343 . 17 1 1 A 34 34 SER HA H 34 3.902 4.258 -0.356 1
1 346 . 17 1 1 A 34 34 SER C C 34 175.876 176.759 -0.883 1
1 347 . 17 1 1 A 34 34 SER CA C 34 61.980 61.194 0.786 1
1 348 . 17 1 1 A 34 34 SER CB C 34 61.510 62.648 -1.138 1
1 349 . 17 1 1 A 34 34 SER N N 34 125.026 120.150 4.876 1
1 350 . 17 1 1 A 35 35 ARG H H 35 9.022 7.755 1.267 1
1 351 . 17 1 1 A 35 35 ARG HA H 35 4.235 4.253 -0.018 1
1 358 . 17 1 1 A 35 35 ARG C C 35 178.661 178.747 -0.086 1
1 359 . 17 1 1 A 35 35 ARG CA C 35 58.840 59.177 -0.337 1
1 360 . 17 1 1 A 35 35 ARG CB C 35 29.970 29.817 0.153 1
1 363 . 17 1 1 A 35 35 ARG N N 35 122.601 121.525 1.076 1
1 364 . 17 1 1 A 36 36 GLU H H 36 7.689 7.820 -0.131 1
1 365 . 17 1 1 A 36 36 GLU HA H 36 4.202 4.050 0.152 1
1 370 . 17 1 1 A 36 36 GLU C C 36 177.285 179.546 -2.261 1
1 371 . 17 1 1 A 36 36 GLU CA C 36 57.340 58.744 -1.404 1
1 372 . 17 1 1 A 36 36 GLU CB C 36 30.910 29.481 1.429 1
1 374 . 17 1 1 A 36 36 GLU N N 36 115.420 119.843 -4.423 1
1 375 . 17 1 1 A 37 37 LEU H H 37 7.280 7.923 -0.643 1
1 376 . 17 1 1 A 37 37 LEU HA H 37 3.805 4.070 -0.265 1
1 386 . 17 1 1 A 37 37 LEU C C 37 176.410 177.645 -1.235 1
1 387 . 17 1 1 A 37 37 LEU CA C 37 56.790 56.920 -0.130 1
1 388 . 17 1 1 A 37 37 LEU CB C 37 42.510 42.950 -0.440 1
1 392 . 17 1 1 A 37 37 LEU N N 37 117.043 120.032 -2.989 1
1 393 . 17 1 1 A 38 38 PHE H H 38 7.431 7.948 -0.517 1
1 394 . 17 1 1 A 38 38 PHE HA H 38 4.884 4.887 -0.003 1
1 402 . 17 1 1 A 38 38 PHE C C 38 176.018 176.311 -0.293 1
1 403 . 17 1 1 A 38 38 PHE CA C 38 57.320 57.247 0.073 1
1 404 . 17 1 1 A 38 38 PHE CB C 38 38.500 38.645 -0.145 1
1 408 . 17 1 1 A 38 38 PHE N N 38 115.439 115.497 -0.058 1
1 409 . 17 1 1 A 39 39 THR H H 39 7.632 7.725 -0.093 1
1 410 . 17 1 1 A 39 39 THR HA H 39 4.256 4.033 0.223 1
1 415 . 17 1 1 A 39 39 THR C C 39 175.986 175.316 0.670 1
1 416 . 17 1 1 A 39 39 THR CA C 39 62.630 65.254 -2.624 1
1 417 . 17 1 1 A 39 39 THR CB C 39 69.240 69.166 0.074 1
1 419 . 17 1 1 A 39 39 THR N N 39 112.395 115.137 -2.742 1
1 420 . 17 1 1 A 40 40 VAL H H 40 8.246 7.504 0.742 1
1 421 . 17 1 1 A 40 40 VAL HA H 40 4.121 4.462 -0.341 1
1 429 . 17 1 1 A 40 40 VAL C C 40 175.233 174.711 0.522 1
1 430 . 17 1 1 A 40 40 VAL CA C 40 63.340 60.722 2.618 1
1 431 . 17 1 1 A 40 40 VAL CB C 40 32.870 31.634 1.236 1
1 434 . 17 1 1 A 40 40 VAL N N 40 118.329 113.421 4.908 1
1 435 . 17 1 1 A 41 41 ASP H H 41 8.048 8.041 0.007 1
1 436 . 17 1 1 A 41 41 ASP HA H 41 4.792 5.070 -0.278 1
1 439 . 17 1 1 A 41 41 ASP CA C 41 53.950 53.309 0.641 1
1 440 . 17 1 1 A 41 41 ASP CB C 41 43.630 45.129 -1.499 1
1 441 . 17 1 1 A 41 41 ASP N N 41 120.465 121.346 -0.881 1
1 442 . 17 1 1 A 42 42 ARG H H 42 8.639 8.954 -0.315 1
1 443 . 17 1 1 A 42 42 ARG HA H 42 4.157 4.689 -0.532 1
1 450 . 17 1 1 A 42 42 ARG C C 42 173.606 175.547 -1.941 1
1 451 . 17 1 1 A 42 42 ARG CA C 42 56.340 55.755 0.585 1
1 452 . 17 1 1 A 42 42 ARG CB C 42 29.930 31.441 -1.511 1
1 455 . 17 1 1 A 42 42 ARG N N 42 116.578 124.398 -7.820 1
1 456 . 17 1 1 A 43 43 GLU H H 43 7.452 7.873 -0.421 1
1 457 . 17 1 1 A 43 43 GLU HA H 43 5.413 5.200 0.213 1
1 462 . 17 1 1 A 43 43 GLU C C 43 174.192 174.352 -0.160 1
1 463 . 17 1 1 A 43 43 GLU CA C 43 55.100 56.484 -1.384 1
1 464 . 17 1 1 A 43 43 GLU CB C 43 34.110 33.857 0.253 1
1 466 . 17 1 1 A 43 43 GLU N N 43 116.369 118.335 -1.966 1
1 467 . 17 1 1 A 44 44 ILE H H 44 9.056 9.406 -0.350 1
1 468 . 17 1 1 A 44 44 ILE HA H 44 4.696 4.960 -0.264 1
1 478 . 17 1 1 A 44 44 ILE C C 44 173.831 174.678 -0.847 1
1 479 . 17 1 1 A 44 44 ILE CA C 44 58.070 59.737 -1.667 1
1 480 . 17 1 1 A 44 44 ILE CB C 44 41.140 41.936 -0.796 1
1 484 . 17 1 1 A 44 44 ILE N N 44 123.963 127.084 -3.121 1
1 485 . 17 1 1 A 45 45 VAL H H 45 8.740 9.094 -0.354 1
1 486 . 17 1 1 A 45 45 VAL HA H 45 4.850 4.826 0.024 1
1 494 . 17 1 1 A 45 45 VAL C C 45 175.175 175.361 -0.186 1
1 495 . 17 1 1 A 45 45 VAL CA C 45 60.990 61.457 -0.467 1
1 496 . 17 1 1 A 45 45 VAL CB C 45 33.810 33.383 0.427 1
1 499 . 17 1 1 A 45 45 VAL N N 45 126.299 127.033 -0.734 1
1 500 . 17 1 1 A 46 46 ILE H H 46 9.367 9.334 0.033 1
1 501 . 17 1 1 A 46 46 ILE HA H 46 4.830 4.755 0.075 1
1 511 . 17 1 1 A 46 46 ILE C C 46 175.433 175.033 0.400 1
1 512 . 17 1 1 A 46 46 ILE CA C 46 59.350 60.462 -1.112 1
1 513 . 17 1 1 A 46 46 ILE CB C 46 39.410 40.023 -0.613 1
1 517 . 17 1 1 A 46 46 ILE N N 46 126.797 127.801 -1.004 1
1 518 . 17 1 1 A 47 47 ALA H H 47 9.173 8.922 0.251 1
1 519 . 17 1 1 A 47 47 ALA HA H 47 4.790 4.995 -0.205 1
1 523 . 17 1 1 A 47 47 ALA C C 47 175.394 176.730 -1.336 1
1 524 . 17 1 1 A 47 47 ALA CA C 47 51.500 51.628 -0.128 1
1 525 . 17 1 1 A 47 47 ALA CB C 47 19.020 20.439 -1.419 1
1 526 . 17 1 1 A 47 47 ALA N N 47 131.668 131.243 0.425 1
1 527 . 17 1 1 A 48 48 HIS H H 48 8.473 9.331 -0.858 1
1 528 . 17 1 1 A 48 48 HIS HA H 48 5.394 4.896 0.498 1
1 533 . 17 1 1 A 48 48 HIS C C 48 175.182 175.163 0.019 1
1 534 . 17 1 1 A 48 48 HIS CA C 48 54.520 55.453 -0.933 1
1 535 . 17 1 1 A 48 48 HIS CB C 48 33.190 31.886 1.304 1
1 538 . 17 1 1 A 48 48 HIS N N 48 126.144 123.124 3.020 1
1 539 . 17 1 1 A 49 49 GLY H H 49 8.847 8.918 -0.071 1
1 540 . 17 1 1 A 49 49 GLY HA2 H 49 3.795 3.662 0.133 1
1 541 . 17 1 1 A 49 49 GLY HA3 H 49 3.549 3.685 -0.136 1
1 542 . 17 1 1 A 49 49 GLY CA C 49 46.950 47.168 -0.218 1
1 543 . 17 1 1 A 49 49 GLY N N 49 117.318 115.985 1.333 1
1 544 . 17 1 1 A 50 50 ASP HA H 50 4.639 4.872 -0.233 1
1 547 . 17 1 1 A 50 50 ASP C C 50 175.825 175.566 0.259 1
1 548 . 17 1 1 A 50 50 ASP CA C 50 55.070 53.742 1.328 1
1 549 . 17 1 1 A 50 50 ASP CB C 50 31.070 43.345 -12.275 1
1 550 . 17 1 1 A 51 51 ASP H H 51 8.166 7.290 0.876 1
1 551 . 17 1 1 A 51 51 ASP HA H 51 4.810 4.842 -0.032 1
1 554 . 17 1 1 A 51 51 ASP C C 51 176.635 175.165 1.470 1
1 555 . 17 1 1 A 51 51 ASP CA C 51 53.950 53.593 0.357 1
1 556 . 17 1 1 A 51 51 ASP CB C 51 43.250 42.768 0.482 1
1 557 . 17 1 1 A 51 51 ASP N N 51 120.310 120.240 0.070 1
1 558 . 17 1 1 A 52 52 ARG H H 52 8.784 8.429 0.355 1
1 559 . 17 1 1 A 52 52 ARG HA H 52 4.970 5.407 -0.437 1
1 566 . 17 1 1 A 52 52 ARG C C 52 174.757 174.314 0.443 1
1 567 . 17 1 1 A 52 52 ARG CA C 52 54.250 54.390 -0.140 1
1 568 . 17 1 1 A 52 52 ARG CB C 52 31.440 34.362 -2.922 1
1 571 . 17 1 1 A 52 52 ARG N N 52 123.348 122.853 0.495 1
1 572 . 17 1 1 A 53 53 TYR H H 53 8.850 9.636 -0.786 1
1 573 . 17 1 1 A 53 53 TYR HA H 53 4.806 5.309 -0.503 1
1 580 . 17 1 1 A 53 53 TYR C C 53 174.989 175.216 -0.227 1
1 581 . 17 1 1 A 53 53 TYR CA C 53 56.850 56.822 0.028 1
1 582 . 17 1 1 A 53 53 TYR CB C 53 41.480 42.554 -1.074 1
1 585 . 17 1 1 A 53 53 TYR N N 53 122.391 122.598 -0.207 1
1 586 . 17 1 1 A 54 54 ARG H H 54 9.387 9.074 0.313 1
1 587 . 17 1 1 A 54 54 ARG HA H 54 4.936 5.179 -0.243 1
1 594 . 17 1 1 A 54 54 ARG C C 54 174.076 174.569 -0.493 1
1 595 . 17 1 1 A 54 54 ARG CA C 54 55.100 54.850 0.250 1
1 596 . 17 1 1 A 54 54 ARG CB C 54 31.750 32.447 -0.697 1
1 599 . 17 1 1 A 54 54 ARG N N 54 120.797 120.807 -0.010 1
1 600 . 17 1 1 A 55 55 LEU H H 55 9.271 9.069 0.202 1
1 601 . 17 1 1 A 55 55 LEU HA H 55 5.237 5.069 0.168 1
1 611 . 17 1 1 A 55 55 LEU C C 55 174.841 175.557 -0.716 1
1 612 . 17 1 1 A 55 55 LEU CA C 55 53.590 54.486 -0.896 1
1 613 . 17 1 1 A 55 55 LEU CB C 55 43.470 43.388 0.082 1
1 617 . 17 1 1 A 55 55 LEU N N 55 128.735 128.154 0.581 1
1 618 . 17 1 1 A 56 56 ARG H H 56 9.000 9.126 -0.126 1
1 619 . 17 1 1 A 56 56 ARG HA H 56 5.110 5.195 -0.085 1
1 626 . 17 1 1 A 56 56 ARG C C 56 173.413 173.775 -0.362 1
1 627 . 17 1 1 A 56 56 ARG CA C 56 54.440 54.435 0.005 1
1 628 . 17 1 1 A 56 56 ARG CB C 56 34.540 33.747 0.793 1
1 631 . 17 1 1 A 56 56 ARG N N 56 125.280 128.485 -3.205 1
1 632 . 17 1 1 A 57 57 LEU H H 57 7.631 8.811 -1.180 1
1 633 . 17 1 1 A 57 57 LEU HA H 57 4.667 4.925 -0.258 1
1 643 . 17 1 1 A 57 57 LEU C C 57 177.709 176.387 1.322 1
1 644 . 17 1 1 A 57 57 LEU CA C 57 52.710 53.016 -0.306 1
1 645 . 17 1 1 A 57 57 LEU CB C 57 42.480 44.593 -2.113 1
1 649 . 17 1 1 A 57 57 LEU N N 57 122.967 127.509 -4.542 1
1 650 . 17 1 1 A 58 58 THR H H 58 9.001 8.711 0.290 1
1 651 . 17 1 1 A 58 58 THR HA H 58 4.508 4.536 -0.028 1
1 656 . 17 1 1 A 58 58 THR CA C 58 60.440 60.453 -0.013 1
1 657 . 17 1 1 A 58 58 THR CB C 58 71.960 71.145 0.815 1
1 659 . 17 1 1 A 58 58 THR N N 58 116.533 115.530 1.003 1
1 660 . 17 1 1 A 60 60 GLN HA H 60 4.433 4.469 -0.036 1
1 665 . 17 1 1 A 60 60 GLN C C 60 174.738 177.021 -2.283 1
1 666 . 17 1 1 A 60 60 GLN CA C 60 55.280 55.847 -0.567 1
1 667 . 17 1 1 A 60 60 GLN CB C 60 28.190 30.681 -2.491 1
1 669 . 17 1 1 A 61 61 ASN H H 61 8.333 8.082 0.251 1
1 670 . 17 1 1 A 61 61 ASN HA H 61 4.262 4.506 -0.244 1
1 675 . 17 1 1 A 61 61 ASN C C 61 174.725 174.952 -0.227 1
1 676 . 17 1 1 A 61 61 ASN CA C 61 54.130 55.611 -1.481 1
1 677 . 17 1 1 A 61 61 ASN CB C 61 37.560 39.309 -1.749 1
1 678 . 17 1 1 A 61 61 ASN N N 61 116.480 118.767 -2.287 1
1 680 . 17 1 1 A 62 62 LYS H H 62 7.111 7.986 -0.875 1
1 681 . 17 1 1 A 62 62 LYS HA H 62 4.520 4.568 -0.048 1
1 690 . 17 1 1 A 62 62 LYS C C 62 174.057 173.971 0.086 1
1 691 . 17 1 1 A 62 62 LYS CA C 62 53.930 54.999 -1.069 1
1 692 . 17 1 1 A 62 62 LYS CB C 62 34.060 33.340 0.720 1
1 696 . 17 1 1 A 62 62 LYS N N 62 116.535 113.216 3.319 1
1 697 . 17 1 1 A 63 63 LEU H H 63 6.706 8.456 -1.750 1
1 698 . 17 1 1 A 63 63 LEU HA H 63 5.093 5.154 -0.061 1
1 708 . 17 1 1 A 63 63 LEU C C 63 175.503 175.049 0.454 1
1 709 . 17 1 1 A 63 63 LEU CA C 63 53.330 52.709 0.621 1
1 710 . 17 1 1 A 63 63 LEU CB C 63 43.280 46.239 -2.959 1
1 714 . 17 1 1 A 63 63 LEU N N 63 119.236 114.088 5.148 1
1 715 . 17 1 1 A 64 64 ILE H H 64 8.471 8.940 -0.469 1
1 716 . 17 1 1 A 64 64 ILE HA H 64 4.429 4.965 -0.536 1
1 726 . 17 1 1 A 64 64 ILE C C 64 172.642 173.544 -0.902 1
1 727 . 17 1 1 A 64 64 ILE CA C 64 59.520 58.949 0.571 1
1 728 . 17 1 1 A 64 64 ILE CB C 64 42.740 42.239 0.501 1
1 732 . 17 1 1 A 64 64 ILE N N 64 116.258 113.983 2.275 1
1 733 . 17 1 1 A 65 65 LEU H H 65 8.429 8.837 -0.408 1
1 734 . 17 1 1 A 65 65 LEU HA H 65 5.543 5.226 0.317 1
1 744 . 17 1 1 A 65 65 LEU C C 65 176.050 174.697 1.353 1
1 745 . 17 1 1 A 65 65 LEU CA C 65 53.230 53.562 -0.332 1
1 746 . 17 1 1 A 65 65 LEU CB C 65 46.610 44.599 2.011 1
1 750 . 17 1 1 A 65 65 LEU N N 65 125.259 124.014 1.245 1
1 751 . 17 1 1 A 66 66 THR H H 66 9.302 9.236 0.066 1
1 752 . 17 1 1 A 66 66 THR HA H 66 4.905 4.951 -0.046 1
1 757 . 17 1 1 A 66 66 THR C C 66 172.436 172.180 0.256 1
1 758 . 17 1 1 A 66 66 THR CA C 66 59.850 59.740 0.110 1
1 759 . 17 1 1 A 66 66 THR CB C 66 71.650 70.870 0.780 1
1 761 . 17 1 1 A 66 66 THR N N 66 121.417 119.849 1.568 1
1 7 . 18 1 1 A 2 2 MET H H 2 8.334 8.605 -0.271 1
1 8 . 18 1 1 A 2 2 MET HA H 2 4.432 4.977 -0.545 1
1 16 . 18 1 1 A 2 2 MET C C 2 176.391 173.831 2.560 1
1 17 . 18 1 1 A 2 2 MET CA C 2 55.880 53.737 2.143 1
1 18 . 18 1 1 A 2 2 MET CB C 2 32.400 35.697 -3.297 1
1 21 . 18 1 1 A 2 2 MET N N 2 121.118 118.269 2.849 1
1 22 . 18 1 1 A 3 3 THR H H 3 8.177 8.762 -0.585 1
1 23 . 18 1 1 A 3 3 THR HA H 3 4.338 4.765 -0.427 1
1 28 . 18 1 1 A 3 3 THR C C 3 174.455 174.139 0.316 1
1 29 . 18 1 1 A 3 3 THR CA C 3 61.410 61.647 -0.237 1
1 30 . 18 1 1 A 3 3 THR CB C 3 69.710 69.661 0.049 1
1 32 . 18 1 1 A 3 3 THR N N 3 115.029 113.652 1.377 1
1 33 . 18 1 1 A 4 4 ALA H H 4 8.429 8.730 -0.301 1
1 34 . 18 1 1 A 4 4 ALA HA H 4 4.303 4.429 -0.126 1
1 38 . 18 1 1 A 4 4 ALA C C 4 178.127 177.430 0.697 1
1 39 . 18 1 1 A 4 4 ALA CA C 4 52.580 51.958 0.622 1
1 40 . 18 1 1 A 4 4 ALA CB C 4 19.370 19.260 0.110 1
1 41 . 18 1 1 A 4 4 ALA N N 4 126.222 129.597 -3.375 1
1 42 . 18 1 1 A 5 5 SER H H 5 8.257 7.474 0.783 1
1 43 . 18 1 1 A 5 5 SER HA H 5 4.352 4.437 -0.085 1
1 46 . 18 1 1 A 5 5 SER C C 5 174.687 173.344 1.343 1
1 47 . 18 1 1 A 5 5 SER CA C 5 58.790 57.853 0.937 1
1 48 . 18 1 1 A 5 5 SER CB C 5 63.720 62.355 1.365 1
1 49 . 18 1 1 A 5 5 SER N N 5 114.762 114.206 0.556 1
1 50 . 18 1 1 A 6 6 ASP H H 6 8.186 8.691 -0.505 1
1 51 . 18 1 1 A 6 6 ASP HA H 6 4.547 5.175 -0.628 1
1 54 . 18 1 1 A 6 6 ASP C C 6 176.423 175.427 0.996 1
1 55 . 18 1 1 A 6 6 ASP CA C 6 54.760 53.275 1.485 1
1 56 . 18 1 1 A 6 6 ASP CB C 6 41.110 41.986 -0.876 1
1 57 . 18 1 1 A 6 6 ASP N N 6 122.104 123.107 -1.003 1
1 58 . 18 1 1 A 7 7 ARG H H 7 8.063 8.784 -0.721 1
1 59 . 18 1 1 A 7 7 ARG HA H 7 4.276 5.135 -0.859 1
1 66 . 18 1 1 A 7 7 ARG C C 7 176.455 174.874 1.581 1
1 67 . 18 1 1 A 7 7 ARG CA C 7 56.310 54.900 1.410 1
1 68 . 18 1 1 A 7 7 ARG CB C 7 30.470 33.181 -2.711 1
1 71 . 18 1 1 A 7 7 ARG N N 7 120.343 120.065 0.278 1
1 72 . 18 1 1 A 8 8 LEU H H 8 8.157 8.814 -0.657 1
1 73 . 18 1 1 A 8 8 LEU HA H 8 4.288 5.006 -0.718 1
1 83 . 18 1 1 A 8 8 LEU C C 8 177.940 176.334 1.606 1
1 84 . 18 1 1 A 8 8 LEU CA C 8 55.630 53.029 2.601 1
1 85 . 18 1 1 A 8 8 LEU CB C 8 42.540 43.373 -0.833 1
1 89 . 18 1 1 A 8 8 LEU N N 8 122.546 122.067 0.479 1
1 90 . 18 1 1 A 9 9 GLY H H 9 8.290 8.602 -0.312 1
1 91 . 18 1 1 A 9 9 GLY HA2 H 9 3.896 4.210 -0.314 1
1 92 . 18 1 1 A 9 9 GLY HA3 H 9 3.896 4.210 -0.314 1
1 93 . 18 1 1 A 9 9 GLY C C 9 173.664 172.808 0.856 1
1 94 . 18 1 1 A 9 9 GLY CA C 9 45.320 45.716 -0.396 1
1 95 . 18 1 1 A 9 9 GLY N N 9 109.549 107.147 2.402 1
1 96 . 18 1 1 A 10 10 ALA H H 10 7.980 8.695 -0.715 1
1 97 . 18 1 1 A 10 10 ALA HA H 10 4.276 4.612 -0.336 1
1 101 . 18 1 1 A 10 10 ALA C C 10 177.182 175.714 1.468 1
1 102 . 18 1 1 A 10 10 ALA CA C 10 52.130 51.140 0.990 1
1 103 . 18 1 1 A 10 10 ALA CB C 10 19.460 20.928 -1.468 1
1 104 . 18 1 1 A 10 10 ALA N N 10 123.266 125.289 -2.023 1
1 105 . 18 1 1 A 11 11 ASP H H 11 8.292 8.894 -0.602 1
1 106 . 18 1 1 A 11 11 ASP HA H 11 4.840 5.193 -0.353 1
1 109 . 18 1 1 A 11 11 ASP CA C 11 51.950 51.775 0.175 1
1 110 . 18 1 1 A 11 11 ASP CB C 11 41.320 44.492 -3.172 1
1 111 . 18 1 1 A 11 11 ASP N N 11 120.930 116.335 4.595 1
1 112 . 18 1 1 A 12 12 PRO HA H 12 4.450 4.615 -0.165 1
1 119 . 18 1 1 A 12 12 PRO C C 12 177.670 176.145 1.525 1
1 120 . 18 1 1 A 12 12 PRO CA C 12 63.940 63.877 0.063 1
1 121 . 18 1 1 A 12 12 PRO CB C 12 32.180 32.620 -0.440 1
1 124 . 18 1 1 A 13 13 THR H H 13 8.304 7.296 1.008 1
1 125 . 18 1 1 A 13 13 THR HA H 13 4.234 4.111 0.123 1
1 130 . 18 1 1 A 13 13 THR C C 13 175.085 173.208 1.877 1
1 131 . 18 1 1 A 13 13 THR CA C 13 62.770 63.142 -0.372 1
1 132 . 18 1 1 A 13 13 THR CB C 13 69.509 68.325 1.184 1
1 134 . 18 1 1 A 13 13 THR N N 13 112.749 116.779 -4.030 1
1 135 . 18 1 1 A 14 14 GLN H H 14 7.963 8.466 -0.503 1
1 136 . 18 1 1 A 14 14 GLN HA H 14 4.282 4.789 -0.507 1
1 141 . 18 1 1 A 14 14 GLN C C 14 175.773 174.071 1.702 1
1 142 . 18 1 1 A 14 14 GLN CA C 14 55.770 54.305 1.465 1
1 143 . 18 1 1 A 14 14 GLN CB C 14 29.440 29.672 -0.232 1
1 145 . 18 1 1 A 14 14 GLN N N 14 121.849 127.746 -5.897 1
1 146 . 18 1 1 A 15 15 ALA H H 15 8.150 8.831 -0.681 1
1 147 . 18 1 1 A 15 15 ALA HA H 15 4.237 5.017 -0.780 1
1 151 . 18 1 1 A 15 15 ALA C C 15 177.587 175.914 1.673 1
1 152 . 18 1 1 A 15 15 ALA CA C 15 52.750 50.594 2.156 1
1 153 . 18 1 1 A 15 15 ALA CB C 15 19.180 20.527 -1.347 1
1 154 . 18 1 1 A 15 15 ALA N N 15 125.125 128.816 -3.691 1
1 155 . 18 1 1 A 16 16 ALA H H 16 8.234 9.005 -0.771 1
1 156 . 18 1 1 A 16 16 ALA HA H 16 4.291 5.078 -0.787 1
1 160 . 18 1 1 A 16 16 ALA C C 16 177.741 177.159 0.582 1
1 161 . 18 1 1 A 16 16 ALA CA C 16 52.410 50.137 2.273 1
1 162 . 18 1 1 A 16 16 ALA CB C 16 19.130 21.015 -1.885 1
1 163 . 18 1 1 A 16 16 ALA N N 16 123.189 126.075 -2.886 1
1 164 . 18 1 1 A 17 17 SER H H 17 8.162 8.714 -0.552 1
1 165 . 18 1 1 A 17 17 SER HA H 17 4.431 4.417 0.014 1
1 168 . 18 1 1 A 17 17 SER CA C 17 58.160 59.941 -1.781 1
1 169 . 18 1 1 A 17 17 SER CB C 17 64.030 62.736 1.294 1
1 170 . 18 1 1 A 17 17 SER N N 17 114.762 120.455 -5.693 1
1 171 . 18 1 1 A 18 18 SER H H 18 8.246 8.873 -0.627 1
1 172 . 18 1 1 A 18 18 SER HA H 18 4.747 4.495 0.252 1
1 173 . 18 1 1 A 18 18 SER CA C 18 58.640 56.842 1.798 1
1 174 . 18 1 1 A 18 18 SER N N 18 118.482 122.901 -4.419 1
1 175 . 18 1 1 A 19 19 PRO HA H 19 4.426 4.350 0.076 1
1 182 . 18 1 1 A 19 19 PRO CA C 19 63.790 64.003 -0.213 1
1 183 . 18 1 1 A 19 19 PRO CB C 19 32.220 32.145 0.075 1
1 186 . 18 1 1 A 20 20 GLY H H 20 8.452 9.202 -0.750 1
1 187 . 18 1 1 A 20 20 GLY HA2 H 20 3.938 3.957 -0.019 1
1 188 . 18 1 1 A 20 20 GLY HA3 H 20 3.938 3.957 -0.019 1
1 189 . 18 1 1 A 20 20 GLY C C 20 174.674 173.802 0.872 1
1 190 . 18 1 1 A 20 20 GLY CA C 20 45.330 45.765 -0.435 1
1 191 . 18 1 1 A 20 20 GLY N N 20 109.329 109.307 0.022 1
1 192 . 18 1 1 A 21 21 GLY H H 21 8.217 7.752 0.465 1
1 193 . 18 1 1 A 21 21 GLY HA2 H 21 3.946 4.178 -0.232 1
1 194 . 18 1 1 A 21 21 GLY HA3 H 21 3.946 4.178 -0.232 1
1 195 . 18 1 1 A 21 21 GLY C C 21 173.555 172.417 1.138 1
1 196 . 18 1 1 A 21 21 GLY CA C 21 45.390 45.640 -0.250 1
1 197 . 18 1 1 A 21 21 GLY N N 21 108.749 104.774 3.975 1
1 198 . 18 1 1 A 22 22 ALA H H 22 8.147 8.174 -0.027 1
1 199 . 18 1 1 A 22 22 ALA HA H 22 4.866 4.874 -0.008 1
1 203 . 18 1 1 A 22 22 ALA C C 22 176.931 177.048 -0.117 1
1 204 . 18 1 1 A 22 22 ALA CA C 22 51.910 50.807 1.103 1
1 205 . 18 1 1 A 22 22 ALA CB C 22 20.490 21.199 -0.709 1
1 206 . 18 1 1 A 22 22 ALA N N 22 124.041 126.078 -2.037 1
1 207 . 18 1 1 A 23 23 ARG H H 23 8.699 8.972 -0.273 1
1 208 . 18 1 1 A 23 23 ARG HA H 23 4.641 5.037 -0.396 1
1 215 . 18 1 1 A 23 23 ARG C C 23 173.587 174.099 -0.512 1
1 216 . 18 1 1 A 23 23 ARG CA C 23 55.000 54.067 0.933 1
1 217 . 18 1 1 A 23 23 ARG CB C 23 32.420 33.917 -1.497 1
1 220 . 18 1 1 A 23 23 ARG N N 23 120.753 118.058 2.695 1
1 221 . 18 1 1 A 24 24 ALA H H 24 8.408 8.821 -0.413 1
1 222 . 18 1 1 A 24 24 ALA HA H 24 5.145 5.226 -0.081 1
1 226 . 18 1 1 A 24 24 ALA C C 24 177.092 176.239 0.853 1
1 227 . 18 1 1 A 24 24 ALA CA C 24 51.160 50.248 0.912 1
1 228 . 18 1 1 A 24 24 ALA CB C 24 21.490 21.028 0.462 1
1 229 . 18 1 1 A 24 24 ALA N N 24 124.606 122.699 1.907 1
1 230 . 18 1 1 A 25 25 VAL H H 25 8.842 8.914 -0.072 1
1 231 . 18 1 1 A 25 25 VAL HA H 25 4.411 4.885 -0.474 1
1 239 . 18 1 1 A 25 25 VAL C C 25 174.558 175.422 -0.864 1
1 240 . 18 1 1 A 25 25 VAL CA C 25 60.160 59.468 0.692 1
1 241 . 18 1 1 A 25 25 VAL CB C 25 34.450 34.049 0.401 1
1 244 . 18 1 1 A 25 25 VAL N N 25 120.299 119.432 0.867 1
1 245 . 18 1 1 A 26 26 SER H H 26 8.744 8.812 -0.068 1
1 246 . 18 1 1 A 26 26 SER HA H 26 4.747 5.320 -0.573 1
1 249 . 18 1 1 A 26 26 SER C C 26 173.304 174.222 -0.918 1
1 250 . 18 1 1 A 26 26 SER CA C 26 58.720 55.826 2.894 1
1 251 . 18 1 1 A 26 26 SER CB C 26 63.910 66.022 -2.112 1
1 252 . 18 1 1 A 26 26 SER N N 26 121.229 118.583 2.646 1
1 253 . 18 1 1 A 27 27 ILE H H 27 8.716 8.910 -0.194 1
1 254 . 18 1 1 A 27 27 ILE HA H 27 4.360 4.976 -0.616 1
1 264 . 18 1 1 A 27 27 ILE C C 27 175.478 174.522 0.956 1
1 265 . 18 1 1 A 27 27 ILE CA C 27 60.670 60.499 0.171 1
1 266 . 18 1 1 A 27 27 ILE CB C 27 39.210 40.558 -1.348 1
1 270 . 18 1 1 A 27 27 ILE N N 27 124.450 122.526 1.924 1
1 271 . 18 1 1 A 28 28 VAL H H 28 8.426 8.662 -0.236 1
1 272 . 18 1 1 A 28 28 VAL HA H 28 4.298 4.686 -0.388 1
1 280 . 18 1 1 A 28 28 VAL CA C 28 61.850 61.098 0.752 1
1 281 . 18 1 1 A 28 28 VAL CB C 28 32.790 32.387 0.403 1
1 284 . 18 1 1 A 28 28 VAL N N 28 128.723 124.278 4.445 1
1 285 . 18 1 1 A 29 29 GLY H H 29 8.953 8.901 0.052 1
1 286 . 18 1 1 A 29 29 GLY HA2 H 29 3.988 3.883 0.105 1
1 287 . 18 1 1 A 29 29 GLY HA3 H 29 3.725 3.884 -0.159 1
1 288 . 18 1 1 A 29 29 GLY C C 29 176.487 174.346 2.141 1
1 289 . 18 1 1 A 29 29 GLY CA C 29 47.610 47.097 0.513 1
1 290 . 18 1 1 A 29 29 GLY N N 29 120.095 115.595 4.500 1
1 291 . 18 1 1 A 30 30 ASN H H 30 8.566 8.036 0.530 1
1 292 . 18 1 1 A 30 30 ASN HA H 30 4.422 4.953 -0.531 1
1 297 . 18 1 1 A 30 30 ASN C C 30 172.841 174.621 -1.780 1
1 298 . 18 1 1 A 30 30 ASN CA C 30 53.100 52.437 0.663 1
1 299 . 18 1 1 A 30 30 ASN CB C 30 38.630 39.578 -0.948 1
1 300 . 18 1 1 A 30 30 ASN N N 30 120.808 118.527 2.281 1
1 302 . 18 1 1 A 31 31 GLN H H 31 7.713 7.525 0.188 1
1 303 . 18 1 1 A 31 31 GLN HA H 31 5.672 4.952 0.720 1
1 310 . 18 1 1 A 31 31 GLN C C 31 174.828 174.556 0.272 1
1 311 . 18 1 1 A 31 31 GLN CA C 31 54.730 54.718 0.012 1
1 312 . 18 1 1 A 31 31 GLN CB C 31 32.800 31.972 0.828 1
1 314 . 18 1 1 A 31 31 GLN N N 31 118.262 119.537 -1.275 1
1 316 . 18 1 1 A 32 32 ILE H H 32 9.113 8.675 0.438 1
1 317 . 18 1 1 A 32 32 ILE HA H 32 4.454 4.663 -0.209 1
1 327 . 18 1 1 A 32 32 ILE C C 32 173.439 172.777 0.662 1
1 328 . 18 1 1 A 32 32 ILE CA C 32 59.610 59.342 0.268 1
1 329 . 18 1 1 A 32 32 ILE CB C 32 42.350 41.409 0.941 1
1 333 . 18 1 1 A 32 32 ILE N N 32 124.849 122.549 2.300 1
1 334 . 18 1 1 A 33 33 ASP H H 33 9.066 8.970 0.096 1
1 335 . 18 1 1 A 33 33 ASP HA H 33 5.077 5.070 0.007 1
1 338 . 18 1 1 A 33 33 ASP C C 33 178.378 177.213 1.165 1
1 339 . 18 1 1 A 33 33 ASP CA C 33 53.460 53.502 -0.042 1
1 340 . 18 1 1 A 33 33 ASP CB C 33 43.180 43.129 0.051 1
1 341 . 18 1 1 A 33 33 ASP N N 33 127.594 128.562 -0.968 1
1 342 . 18 1 1 A 34 34 SER H H 34 9.524 9.203 0.321 1
1 343 . 18 1 1 A 34 34 SER HA H 34 3.902 4.243 -0.341 1
1 346 . 18 1 1 A 34 34 SER C C 34 175.876 176.995 -1.119 1
1 347 . 18 1 1 A 34 34 SER CA C 34 61.980 61.942 0.038 1
1 348 . 18 1 1 A 34 34 SER CB C 34 61.510 63.016 -1.506 1
1 349 . 18 1 1 A 34 34 SER N N 34 125.026 121.062 3.964 1
1 350 . 18 1 1 A 35 35 ARG H H 35 9.022 8.021 1.001 1
1 351 . 18 1 1 A 35 35 ARG HA H 35 4.235 4.251 -0.016 1
1 358 . 18 1 1 A 35 35 ARG C C 35 178.661 179.091 -0.430 1
1 359 . 18 1 1 A 35 35 ARG CA C 35 58.840 59.236 -0.396 1
1 360 . 18 1 1 A 35 35 ARG CB C 35 29.970 29.798 0.172 1
1 363 . 18 1 1 A 35 35 ARG N N 35 122.601 121.790 0.811 1
1 364 . 18 1 1 A 36 36 GLU H H 36 7.689 7.855 -0.166 1
1 365 . 18 1 1 A 36 36 GLU HA H 36 4.202 4.011 0.191 1
1 370 . 18 1 1 A 36 36 GLU C C 36 177.285 179.280 -1.995 1
1 371 . 18 1 1 A 36 36 GLU CA C 36 57.340 58.958 -1.618 1
1 372 . 18 1 1 A 36 36 GLU CB C 36 30.910 29.303 1.607 1
1 374 . 18 1 1 A 36 36 GLU N N 36 115.420 120.082 -4.662 1
1 375 . 18 1 1 A 37 37 LEU H H 37 7.280 8.044 -0.764 1
1 376 . 18 1 1 A 37 37 LEU HA H 37 3.805 3.965 -0.160 1
1 386 . 18 1 1 A 37 37 LEU C C 37 176.410 178.045 -1.635 1
1 387 . 18 1 1 A 37 37 LEU CA C 37 56.790 57.589 -0.799 1
1 388 . 18 1 1 A 37 37 LEU CB C 37 42.510 41.873 0.637 1
1 392 . 18 1 1 A 37 37 LEU N N 37 117.043 119.568 -2.525 1
1 393 . 18 1 1 A 38 38 PHE H H 38 7.431 8.152 -0.721 1
1 394 . 18 1 1 A 38 38 PHE HA H 38 4.884 4.865 0.019 1
1 402 . 18 1 1 A 38 38 PHE C C 38 176.018 176.126 -0.108 1
1 403 . 18 1 1 A 38 38 PHE CA C 38 57.320 58.200 -0.880 1
1 404 . 18 1 1 A 38 38 PHE CB C 38 38.500 38.344 0.156 1
1 408 . 18 1 1 A 38 38 PHE N N 38 115.439 115.238 0.201 1
1 409 . 18 1 1 A 39 39 THR H H 39 7.632 7.707 -0.075 1
1 410 . 18 1 1 A 39 39 THR HA H 39 4.256 4.123 0.133 1
1 415 . 18 1 1 A 39 39 THR C C 39 175.986 175.397 0.589 1
1 416 . 18 1 1 A 39 39 THR CA C 39 62.630 64.937 -2.307 1
1 417 . 18 1 1 A 39 39 THR CB C 39 69.240 68.735 0.505 1
1 419 . 18 1 1 A 39 39 THR N N 39 112.395 115.541 -3.146 1
1 420 . 18 1 1 A 40 40 VAL H H 40 8.246 7.290 0.956 1
1 421 . 18 1 1 A 40 40 VAL HA H 40 4.121 4.453 -0.332 1
1 429 . 18 1 1 A 40 40 VAL C C 40 175.233 175.108 0.125 1
1 430 . 18 1 1 A 40 40 VAL CA C 40 63.340 62.318 1.022 1
1 431 . 18 1 1 A 40 40 VAL CB C 40 32.870 33.617 -0.747 1
1 434 . 18 1 1 A 40 40 VAL N N 40 118.329 112.888 5.441 1
1 435 . 18 1 1 A 41 41 ASP H H 41 8.048 7.796 0.252 1
1 436 . 18 1 1 A 41 41 ASP HA H 41 4.792 4.895 -0.103 1
1 439 . 18 1 1 A 41 41 ASP CA C 41 53.950 53.611 0.339 1
1 440 . 18 1 1 A 41 41 ASP CB C 41 43.630 41.153 2.477 1
1 441 . 18 1 1 A 41 41 ASP N N 41 120.465 121.824 -1.359 1
1 442 . 18 1 1 A 42 42 ARG H H 42 8.639 8.917 -0.278 1
1 443 . 18 1 1 A 42 42 ARG HA H 42 4.157 4.152 0.005 1
1 450 . 18 1 1 A 42 42 ARG C C 42 173.606 175.822 -2.216 1
1 451 . 18 1 1 A 42 42 ARG CA C 42 56.340 58.266 -1.926 1
1 452 . 18 1 1 A 42 42 ARG CB C 42 29.930 30.437 -0.507 1
1 455 . 18 1 1 A 42 42 ARG N N 42 116.578 126.717 -10.139 1
1 456 . 18 1 1 A 43 43 GLU H H 43 7.452 7.840 -0.388 1
1 457 . 18 1 1 A 43 43 GLU HA H 43 5.413 5.222 0.191 1
1 462 . 18 1 1 A 43 43 GLU C C 43 174.192 174.349 -0.157 1
1 463 . 18 1 1 A 43 43 GLU CA C 43 55.100 55.899 -0.799 1
1 464 . 18 1 1 A 43 43 GLU CB C 43 34.110 33.241 0.869 1
1 466 . 18 1 1 A 43 43 GLU N N 43 116.369 118.208 -1.839 1
1 467 . 18 1 1 A 44 44 ILE H H 44 9.056 9.410 -0.354 1
1 468 . 18 1 1 A 44 44 ILE HA H 44 4.696 4.980 -0.284 1
1 478 . 18 1 1 A 44 44 ILE C C 44 173.831 174.779 -0.948 1
1 479 . 18 1 1 A 44 44 ILE CA C 44 58.070 59.462 -1.392 1
1 480 . 18 1 1 A 44 44 ILE CB C 44 41.140 41.867 -0.727 1
1 484 . 18 1 1 A 44 44 ILE N N 44 123.963 126.749 -2.786 1
1 485 . 18 1 1 A 45 45 VAL H H 45 8.740 8.985 -0.245 1
1 486 . 18 1 1 A 45 45 VAL HA H 45 4.850 4.946 -0.096 1
1 494 . 18 1 1 A 45 45 VAL C C 45 175.175 175.475 -0.300 1
1 495 . 18 1 1 A 45 45 VAL CA C 45 60.990 61.265 -0.275 1
1 496 . 18 1 1 A 45 45 VAL CB C 45 33.810 33.700 0.110 1
1 499 . 18 1 1 A 45 45 VAL N N 45 126.299 126.733 -0.434 1
1 500 . 18 1 1 A 46 46 ILE H H 46 9.367 9.411 -0.044 1
1 501 . 18 1 1 A 46 46 ILE HA H 46 4.830 4.786 0.044 1
1 511 . 18 1 1 A 46 46 ILE C C 46 175.433 174.906 0.527 1
1 512 . 18 1 1 A 46 46 ILE CA C 46 59.350 60.602 -1.252 1
1 513 . 18 1 1 A 46 46 ILE CB C 46 39.410 40.868 -1.458 1
1 517 . 18 1 1 A 46 46 ILE N N 46 126.797 127.543 -0.746 1
1 518 . 18 1 1 A 47 47 ALA H H 47 9.173 8.913 0.260 1
1 519 . 18 1 1 A 47 47 ALA HA H 47 4.790 5.410 -0.620 1
1 523 . 18 1 1 A 47 47 ALA C C 47 175.394 176.670 -1.276 1
1 524 . 18 1 1 A 47 47 ALA CA C 47 51.500 51.380 0.120 1
1 525 . 18 1 1 A 47 47 ALA CB C 47 19.020 20.715 -1.695 1
1 526 . 18 1 1 A 47 47 ALA N N 47 131.668 131.619 0.049 1
1 527 . 18 1 1 A 48 48 HIS H H 48 8.473 8.954 -0.481 1
1 528 . 18 1 1 A 48 48 HIS HA H 48 5.394 4.894 0.500 1
1 533 . 18 1 1 A 48 48 HIS C C 48 175.182 174.919 0.263 1
1 534 . 18 1 1 A 48 48 HIS CA C 48 54.520 55.494 -0.974 1
1 535 . 18 1 1 A 48 48 HIS CB C 48 33.190 32.182 1.008 1
1 538 . 18 1 1 A 48 48 HIS N N 48 126.144 122.555 3.589 1
1 539 . 18 1 1 A 49 49 GLY H H 49 8.847 9.033 -0.186 1
1 540 . 18 1 1 A 49 49 GLY HA2 H 49 3.795 3.568 0.227 1
1 541 . 18 1 1 A 49 49 GLY HA3 H 49 3.549 3.690 -0.141 1
1 542 . 18 1 1 A 49 49 GLY CA C 49 46.950 45.856 1.094 1
1 543 . 18 1 1 A 49 49 GLY N N 49 117.318 114.158 3.160 1
1 544 . 18 1 1 A 50 50 ASP HA H 50 4.639 4.225 0.414 1
1 547 . 18 1 1 A 50 50 ASP C C 50 175.825 174.329 1.496 1
1 548 . 18 1 1 A 50 50 ASP CA C 50 55.070 55.856 -0.786 1
1 549 . 18 1 1 A 50 50 ASP CB C 50 31.070 39.218 -8.148 1
1 550 . 18 1 1 A 51 51 ASP H H 51 8.166 7.948 0.218 1
1 551 . 18 1 1 A 51 51 ASP HA H 51 4.810 4.826 -0.016 1
1 554 . 18 1 1 A 51 51 ASP C C 51 176.635 174.982 1.653 1
1 555 . 18 1 1 A 51 51 ASP CA C 51 53.950 53.717 0.233 1
1 556 . 18 1 1 A 51 51 ASP CB C 51 43.250 42.617 0.633 1
1 557 . 18 1 1 A 51 51 ASP N N 51 120.310 120.144 0.166 1
1 558 . 18 1 1 A 52 52 ARG H H 52 8.784 8.488 0.296 1
1 559 . 18 1 1 A 52 52 ARG HA H 52 4.970 5.075 -0.105 1
1 566 . 18 1 1 A 52 52 ARG C C 52 174.757 174.918 -0.161 1
1 567 . 18 1 1 A 52 52 ARG CA C 52 54.250 54.796 -0.546 1
1 568 . 18 1 1 A 52 52 ARG CB C 52 31.440 31.949 -0.509 1
1 571 . 18 1 1 A 52 52 ARG N N 52 123.348 123.212 0.136 1
1 572 . 18 1 1 A 53 53 TYR H H 53 8.850 9.416 -0.566 1
1 573 . 18 1 1 A 53 53 TYR HA H 53 4.806 5.163 -0.357 1
1 580 . 18 1 1 A 53 53 TYR C C 53 174.989 175.533 -0.544 1
1 581 . 18 1 1 A 53 53 TYR CA C 53 56.850 57.148 -0.298 1
1 582 . 18 1 1 A 53 53 TYR CB C 53 41.480 41.542 -0.062 1
1 585 . 18 1 1 A 53 53 TYR N N 53 122.391 123.551 -1.160 1
1 586 . 18 1 1 A 54 54 ARG H H 54 9.387 9.161 0.226 1
1 587 . 18 1 1 A 54 54 ARG HA H 54 4.936 5.300 -0.364 1
1 594 . 18 1 1 A 54 54 ARG C C 54 174.076 174.566 -0.490 1
1 595 . 18 1 1 A 54 54 ARG CA C 54 55.100 54.783 0.317 1
1 596 . 18 1 1 A 54 54 ARG CB C 54 31.750 32.491 -0.741 1
1 599 . 18 1 1 A 54 54 ARG N N 54 120.797 120.824 -0.027 1
1 600 . 18 1 1 A 55 55 LEU H H 55 9.271 8.946 0.325 1
1 601 . 18 1 1 A 55 55 LEU HA H 55 5.237 5.149 0.088 1
1 611 . 18 1 1 A 55 55 LEU C C 55 174.841 175.622 -0.781 1
1 612 . 18 1 1 A 55 55 LEU CA C 55 53.590 54.485 -0.895 1
1 613 . 18 1 1 A 55 55 LEU CB C 55 43.470 43.449 0.021 1
1 617 . 18 1 1 A 55 55 LEU N N 55 128.735 127.847 0.888 1
1 618 . 18 1 1 A 56 56 ARG H H 56 9.000 9.246 -0.246 1
1 619 . 18 1 1 A 56 56 ARG HA H 56 5.110 5.193 -0.083 1
1 626 . 18 1 1 A 56 56 ARG C C 56 173.413 173.631 -0.218 1
1 627 . 18 1 1 A 56 56 ARG CA C 56 54.440 54.488 -0.048 1
1 628 . 18 1 1 A 56 56 ARG CB C 56 34.540 33.930 0.610 1
1 631 . 18 1 1 A 56 56 ARG N N 56 125.280 128.716 -3.436 1
1 632 . 18 1 1 A 57 57 LEU H H 57 7.631 8.797 -1.166 1
1 633 . 18 1 1 A 57 57 LEU HA H 57 4.667 4.625 0.042 1
1 643 . 18 1 1 A 57 57 LEU C C 57 177.709 176.507 1.202 1
1 644 . 18 1 1 A 57 57 LEU CA C 57 52.710 53.053 -0.343 1
1 645 . 18 1 1 A 57 57 LEU CB C 57 42.480 43.782 -1.302 1
1 649 . 18 1 1 A 57 57 LEU N N 57 122.967 127.984 -5.017 1
1 650 . 18 1 1 A 58 58 THR H H 58 9.001 8.762 0.239 1
1 651 . 18 1 1 A 58 58 THR HA H 58 4.508 4.627 -0.119 1
1 656 . 18 1 1 A 58 58 THR CA C 58 60.440 60.180 0.260 1
1 657 . 18 1 1 A 58 58 THR CB C 58 71.960 71.656 0.304 1
1 659 . 18 1 1 A 58 58 THR N N 58 116.533 115.494 1.039 1
1 660 . 18 1 1 A 60 60 GLN HA H 60 4.433 4.418 0.015 1
1 665 . 18 1 1 A 60 60 GLN C C 60 174.738 177.103 -2.365 1
1 666 . 18 1 1 A 60 60 GLN CA C 60 55.280 56.622 -1.342 1
1 667 . 18 1 1 A 60 60 GLN CB C 60 28.190 31.078 -2.888 1
1 669 . 18 1 1 A 61 61 ASN H H 61 8.333 8.234 0.099 1
1 670 . 18 1 1 A 61 61 ASN HA H 61 4.262 4.505 -0.243 1
1 675 . 18 1 1 A 61 61 ASN C C 61 174.725 175.366 -0.641 1
1 676 . 18 1 1 A 61 61 ASN CA C 61 54.130 55.773 -1.643 1
1 677 . 18 1 1 A 61 61 ASN CB C 61 37.560 38.261 -0.701 1
1 678 . 18 1 1 A 61 61 ASN N N 61 116.480 117.794 -1.314 1
1 680 . 18 1 1 A 62 62 LYS H H 62 7.111 7.899 -0.788 1
1 681 . 18 1 1 A 62 62 LYS HA H 62 4.520 4.621 -0.101 1
1 690 . 18 1 1 A 62 62 LYS C C 62 174.057 174.113 -0.056 1
1 691 . 18 1 1 A 62 62 LYS CA C 62 53.930 54.822 -0.892 1
1 692 . 18 1 1 A 62 62 LYS CB C 62 34.060 33.896 0.164 1
1 696 . 18 1 1 A 62 62 LYS N N 62 116.535 116.304 0.231 1
1 697 . 18 1 1 A 63 63 LEU H H 63 6.706 8.496 -1.790 1
1 698 . 18 1 1 A 63 63 LEU HA H 63 5.093 5.309 -0.216 1
1 708 . 18 1 1 A 63 63 LEU C C 63 175.503 175.069 0.434 1
1 709 . 18 1 1 A 63 63 LEU CA C 63 53.330 52.639 0.691 1
1 710 . 18 1 1 A 63 63 LEU CB C 63 43.280 46.332 -3.052 1
1 714 . 18 1 1 A 63 63 LEU N N 63 119.236 113.812 5.424 1
1 715 . 18 1 1 A 64 64 ILE H H 64 8.471 8.806 -0.335 1
1 716 . 18 1 1 A 64 64 ILE HA H 64 4.429 5.072 -0.643 1
1 726 . 18 1 1 A 64 64 ILE C C 64 172.642 173.743 -1.101 1
1 727 . 18 1 1 A 64 64 ILE CA C 64 59.520 58.725 0.795 1
1 728 . 18 1 1 A 64 64 ILE CB C 64 42.740 42.498 0.242 1
1 732 . 18 1 1 A 64 64 ILE N N 64 116.258 113.838 2.420 1
1 733 . 18 1 1 A 65 65 LEU H H 65 8.429 8.830 -0.401 1
1 734 . 18 1 1 A 65 65 LEU HA H 65 5.543 5.487 0.056 1
1 744 . 18 1 1 A 65 65 LEU C C 65 176.050 174.861 1.189 1
1 745 . 18 1 1 A 65 65 LEU CA C 65 53.230 53.786 -0.556 1
1 746 . 18 1 1 A 65 65 LEU CB C 65 46.610 44.896 1.714 1
1 750 . 18 1 1 A 65 65 LEU N N 65 125.259 124.042 1.217 1
1 751 . 18 1 1 A 66 66 THR H H 66 9.302 9.154 0.148 1
1 752 . 18 1 1 A 66 66 THR HA H 66 4.905 4.977 -0.072 1
1 757 . 18 1 1 A 66 66 THR C C 66 172.436 172.366 0.070 1
1 758 . 18 1 1 A 66 66 THR CA C 66 59.850 60.104 -0.254 1
1 759 . 18 1 1 A 66 66 THR CB C 66 71.650 70.566 1.084 1
1 761 . 18 1 1 A 66 66 THR N N 66 121.417 119.303 2.114 1
1 7 . 19 1 1 A 2 2 MET H H 2 8.334 7.877 0.457 1
1 8 . 19 1 1 A 2 2 MET HA H 2 4.432 4.635 -0.203 1
1 16 . 19 1 1 A 2 2 MET C C 2 176.391 176.996 -0.605 1
1 17 . 19 1 1 A 2 2 MET CA C 2 55.880 54.356 1.524 1
1 18 . 19 1 1 A 2 2 MET CB C 2 32.400 31.113 1.287 1
1 21 . 19 1 1 A 2 2 MET N N 2 121.118 118.385 2.733 1
1 22 . 19 1 1 A 3 3 THR H H 3 8.177 8.031 0.146 1
1 23 . 19 1 1 A 3 3 THR HA H 3 4.338 4.331 0.007 1
1 28 . 19 1 1 A 3 3 THR C C 3 174.455 174.073 0.382 1
1 29 . 19 1 1 A 3 3 THR CA C 3 61.410 62.731 -1.321 1
1 30 . 19 1 1 A 3 3 THR CB C 3 69.710 69.213 0.497 1
1 32 . 19 1 1 A 3 3 THR N N 3 115.029 115.810 -0.781 1
1 33 . 19 1 1 A 4 4 ALA H H 4 8.429 7.666 0.763 1
1 34 . 19 1 1 A 4 4 ALA HA H 4 4.303 4.905 -0.602 1
1 38 . 19 1 1 A 4 4 ALA C C 4 178.127 175.335 2.792 1
1 39 . 19 1 1 A 4 4 ALA CA C 4 52.580 50.822 1.758 1
1 40 . 19 1 1 A 4 4 ALA CB C 4 19.370 22.757 -3.387 1
1 41 . 19 1 1 A 4 4 ALA N N 4 126.222 123.971 2.251 1
1 42 . 19 1 1 A 5 5 SER H H 5 8.257 8.703 -0.446 1
1 43 . 19 1 1 A 5 5 SER HA H 5 4.352 5.201 -0.849 1
1 46 . 19 1 1 A 5 5 SER C C 5 174.687 172.156 2.531 1
1 47 . 19 1 1 A 5 5 SER CA C 5 58.790 56.479 2.311 1
1 48 . 19 1 1 A 5 5 SER CB C 5 63.720 65.389 -1.669 1
1 49 . 19 1 1 A 5 5 SER N N 5 114.762 115.787 -1.025 1
1 50 . 19 1 1 A 6 6 ASP H H 6 8.186 9.137 -0.951 1
1 51 . 19 1 1 A 6 6 ASP HA H 6 4.547 4.893 -0.346 1
1 54 . 19 1 1 A 6 6 ASP C C 6 176.423 175.833 0.590 1
1 55 . 19 1 1 A 6 6 ASP CA C 6 54.760 53.708 1.052 1
1 56 . 19 1 1 A 6 6 ASP CB C 6 41.110 42.099 -0.989 1
1 57 . 19 1 1 A 6 6 ASP N N 6 122.104 128.738 -6.634 1
1 58 . 19 1 1 A 7 7 ARG H H 7 8.063 9.060 -0.997 1
1 59 . 19 1 1 A 7 7 ARG HA H 7 4.276 4.928 -0.652 1
1 66 . 19 1 1 A 7 7 ARG C C 7 176.455 175.491 0.964 1
1 67 . 19 1 1 A 7 7 ARG CA C 7 56.310 54.476 1.834 1
1 68 . 19 1 1 A 7 7 ARG CB C 7 30.470 33.968 -3.498 1
1 71 . 19 1 1 A 7 7 ARG N N 7 120.343 120.760 -0.417 1
1 72 . 19 1 1 A 8 8 LEU H H 8 8.157 8.296 -0.139 1
1 73 . 19 1 1 A 8 8 LEU HA H 8 4.288 4.770 -0.482 1
1 83 . 19 1 1 A 8 8 LEU C C 8 177.940 176.668 1.272 1
1 84 . 19 1 1 A 8 8 LEU CA C 8 55.630 52.958 2.672 1
1 85 . 19 1 1 A 8 8 LEU CB C 8 42.540 43.832 -1.292 1
1 89 . 19 1 1 A 8 8 LEU N N 8 122.546 120.351 2.195 1
1 90 . 19 1 1 A 9 9 GLY H H 9 8.290 8.575 -0.285 1
1 91 . 19 1 1 A 9 9 GLY HA2 H 9 3.896 4.306 -0.410 1
1 92 . 19 1 1 A 9 9 GLY HA3 H 9 3.896 4.306 -0.410 1
1 93 . 19 1 1 A 9 9 GLY C C 9 173.664 172.919 0.745 1
1 94 . 19 1 1 A 9 9 GLY CA C 9 45.320 44.012 1.308 1
1 95 . 19 1 1 A 9 9 GLY N N 9 109.549 106.851 2.698 1
1 96 . 19 1 1 A 10 10 ALA H H 10 7.980 8.741 -0.761 1
1 97 . 19 1 1 A 10 10 ALA HA H 10 4.276 5.307 -1.031 1
1 101 . 19 1 1 A 10 10 ALA C C 10 177.182 174.958 2.224 1
1 102 . 19 1 1 A 10 10 ALA CA C 10 52.130 50.975 1.155 1
1 103 . 19 1 1 A 10 10 ALA CB C 10 19.460 24.117 -4.657 1
1 104 . 19 1 1 A 10 10 ALA N N 10 123.266 122.922 0.344 1
1 105 . 19 1 1 A 11 11 ASP H H 11 8.292 8.889 -0.597 1
1 106 . 19 1 1 A 11 11 ASP HA H 11 4.840 5.370 -0.530 1
1 109 . 19 1 1 A 11 11 ASP CA C 11 51.950 51.278 0.672 1
1 110 . 19 1 1 A 11 11 ASP CB C 11 41.320 44.063 -2.743 1
1 111 . 19 1 1 A 11 11 ASP N N 11 120.930 116.744 4.186 1
1 112 . 19 1 1 A 12 12 PRO HA H 12 4.450 4.646 -0.196 1
1 119 . 19 1 1 A 12 12 PRO C C 12 177.670 176.305 1.365 1
1 120 . 19 1 1 A 12 12 PRO CA C 12 63.940 63.120 0.820 1
1 121 . 19 1 1 A 12 12 PRO CB C 12 32.180 32.000 0.180 1
1 124 . 19 1 1 A 13 13 THR H H 13 8.304 8.550 -0.246 1
1 125 . 19 1 1 A 13 13 THR HA H 13 4.234 4.740 -0.506 1
1 130 . 19 1 1 A 13 13 THR C C 13 175.085 173.560 1.525 1
1 131 . 19 1 1 A 13 13 THR CA C 13 62.770 61.646 1.124 1
1 132 . 19 1 1 A 13 13 THR CB C 13 69.509 70.235 -0.726 1
1 134 . 19 1 1 A 13 13 THR N N 13 112.749 117.367 -4.618 1
1 135 . 19 1 1 A 14 14 GLN H H 14 7.963 9.092 -1.129 1
1 136 . 19 1 1 A 14 14 GLN HA H 14 4.282 5.181 -0.899 1
1 141 . 19 1 1 A 14 14 GLN C C 14 175.773 173.755 2.018 1
1 142 . 19 1 1 A 14 14 GLN CA C 14 55.770 54.512 1.258 1
1 143 . 19 1 1 A 14 14 GLN CB C 14 29.440 32.699 -3.259 1
1 145 . 19 1 1 A 14 14 GLN N N 14 121.849 123.412 -1.563 1
1 146 . 19 1 1 A 15 15 ALA H H 15 8.150 8.570 -0.420 1
1 147 . 19 1 1 A 15 15 ALA HA H 15 4.237 5.072 -0.835 1
1 151 . 19 1 1 A 15 15 ALA C C 15 177.587 175.622 1.965 1
1 152 . 19 1 1 A 15 15 ALA CA C 15 52.750 50.945 1.805 1
1 153 . 19 1 1 A 15 15 ALA CB C 15 19.180 20.791 -1.611 1
1 154 . 19 1 1 A 15 15 ALA N N 15 125.125 122.817 2.308 1
1 155 . 19 1 1 A 16 16 ALA H H 16 8.234 9.051 -0.817 1
1 156 . 19 1 1 A 16 16 ALA HA H 16 4.291 5.182 -0.891 1
1 160 . 19 1 1 A 16 16 ALA C C 16 177.741 176.489 1.252 1
1 161 . 19 1 1 A 16 16 ALA CA C 16 52.410 50.773 1.637 1
1 162 . 19 1 1 A 16 16 ALA CB C 16 19.130 21.672 -2.542 1
1 163 . 19 1 1 A 16 16 ALA N N 16 123.189 126.146 -2.957 1
1 164 . 19 1 1 A 17 17 SER H H 17 8.162 8.865 -0.703 1
1 165 . 19 1 1 A 17 17 SER HA H 17 4.431 5.177 -0.746 1
1 168 . 19 1 1 A 17 17 SER CA C 17 58.160 57.605 0.555 1
1 169 . 19 1 1 A 17 17 SER CB C 17 64.030 65.186 -1.156 1
1 170 . 19 1 1 A 17 17 SER N N 17 114.762 118.039 -3.277 1
1 171 . 19 1 1 A 18 18 SER H H 18 8.246 8.752 -0.506 1
1 172 . 19 1 1 A 18 18 SER HA H 18 4.747 4.912 -0.165 1
1 173 . 19 1 1 A 18 18 SER CA C 18 58.640 56.030 2.610 1
1 174 . 19 1 1 A 18 18 SER N N 18 118.482 120.601 -2.119 1
1 175 . 19 1 1 A 19 19 PRO HA H 19 4.426 4.419 0.007 1
1 182 . 19 1 1 A 19 19 PRO CA C 19 63.790 63.939 -0.149 1
1 183 . 19 1 1 A 19 19 PRO CB C 19 32.220 32.124 0.096 1
1 186 . 19 1 1 A 20 20 GLY H H 20 8.452 7.836 0.616 1
1 187 . 19 1 1 A 20 20 GLY HA2 H 20 3.938 4.060 -0.122 1
1 188 . 19 1 1 A 20 20 GLY HA3 H 20 3.938 4.063 -0.125 1
1 189 . 19 1 1 A 20 20 GLY C C 20 174.674 175.057 -0.383 1
1 190 . 19 1 1 A 20 20 GLY CA C 20 45.330 44.034 1.296 1
1 191 . 19 1 1 A 20 20 GLY N N 20 109.329 107.358 1.971 1
1 192 . 19 1 1 A 21 21 GLY H H 21 8.217 8.742 -0.525 1
1 193 . 19 1 1 A 21 21 GLY HA2 H 21 3.946 3.914 0.032 1
1 194 . 19 1 1 A 21 21 GLY HA3 H 21 3.946 3.914 0.032 1
1 195 . 19 1 1 A 21 21 GLY C C 21 173.555 173.812 -0.257 1
1 196 . 19 1 1 A 21 21 GLY CA C 21 45.390 46.858 -1.468 1
1 197 . 19 1 1 A 21 21 GLY N N 21 108.749 108.269 0.480 1
1 198 . 19 1 1 A 22 22 ALA H H 22 8.147 8.076 0.071 1
1 199 . 19 1 1 A 22 22 ALA HA H 22 4.866 4.845 0.021 1
1 203 . 19 1 1 A 22 22 ALA C C 22 176.931 176.384 0.547 1
1 204 . 19 1 1 A 22 22 ALA CA C 22 51.910 50.548 1.362 1
1 205 . 19 1 1 A 22 22 ALA CB C 22 20.490 21.079 -0.589 1
1 206 . 19 1 1 A 22 22 ALA N N 22 124.041 121.868 2.173 1
1 207 . 19 1 1 A 23 23 ARG H H 23 8.699 9.084 -0.385 1
1 208 . 19 1 1 A 23 23 ARG HA H 23 4.641 5.052 -0.411 1
1 215 . 19 1 1 A 23 23 ARG C C 23 173.587 174.501 -0.914 1
1 216 . 19 1 1 A 23 23 ARG CA C 23 55.000 54.492 0.508 1
1 217 . 19 1 1 A 23 23 ARG CB C 23 32.420 33.662 -1.242 1
1 220 . 19 1 1 A 23 23 ARG N N 23 120.753 120.205 0.548 1
1 221 . 19 1 1 A 24 24 ALA H H 24 8.408 8.906 -0.498 1
1 222 . 19 1 1 A 24 24 ALA HA H 24 5.145 5.318 -0.173 1
1 226 . 19 1 1 A 24 24 ALA C C 24 177.092 176.651 0.441 1
1 227 . 19 1 1 A 24 24 ALA CA C 24 51.160 50.340 0.820 1
1 228 . 19 1 1 A 24 24 ALA CB C 24 21.490 20.796 0.694 1
1 229 . 19 1 1 A 24 24 ALA N N 24 124.606 124.547 0.059 1
1 230 . 19 1 1 A 25 25 VAL H H 25 8.842 9.003 -0.161 1
1 231 . 19 1 1 A 25 25 VAL HA H 25 4.411 4.901 -0.490 1
1 239 . 19 1 1 A 25 25 VAL C C 25 174.558 174.682 -0.124 1
1 240 . 19 1 1 A 25 25 VAL CA C 25 60.160 59.492 0.668 1
1 241 . 19 1 1 A 25 25 VAL CB C 25 34.450 34.412 0.038 1
1 244 . 19 1 1 A 25 25 VAL N N 25 120.299 118.509 1.790 1
1 245 . 19 1 1 A 26 26 SER H H 26 8.744 8.771 -0.027 1
1 246 . 19 1 1 A 26 26 SER HA H 26 4.747 5.072 -0.325 1
1 249 . 19 1 1 A 26 26 SER C C 26 173.304 173.193 0.111 1
1 250 . 19 1 1 A 26 26 SER CA C 26 58.720 58.039 0.681 1
1 251 . 19 1 1 A 26 26 SER CB C 26 63.910 64.805 -0.895 1
1 252 . 19 1 1 A 26 26 SER N N 26 121.229 121.037 0.192 1
1 253 . 19 1 1 A 27 27 ILE H H 27 8.716 8.931 -0.215 1
1 254 . 19 1 1 A 27 27 ILE HA H 27 4.360 4.892 -0.532 1
1 264 . 19 1 1 A 27 27 ILE C C 27 175.478 174.438 1.040 1
1 265 . 19 1 1 A 27 27 ILE CA C 27 60.670 60.239 0.431 1
1 266 . 19 1 1 A 27 27 ILE CB C 27 39.210 41.016 -1.806 1
1 270 . 19 1 1 A 27 27 ILE N N 27 124.450 123.645 0.805 1
1 271 . 19 1 1 A 28 28 VAL H H 28 8.426 8.690 -0.264 1
1 272 . 19 1 1 A 28 28 VAL HA H 28 4.298 4.658 -0.360 1
1 280 . 19 1 1 A 28 28 VAL CA C 28 61.850 61.248 0.602 1
1 281 . 19 1 1 A 28 28 VAL CB C 28 32.790 32.151 0.639 1
1 284 . 19 1 1 A 28 28 VAL N N 28 128.723 123.908 4.815 1
1 285 . 19 1 1 A 29 29 GLY H H 29 8.953 8.959 -0.006 1
1 286 . 19 1 1 A 29 29 GLY HA2 H 29 3.988 3.856 0.132 1
1 287 . 19 1 1 A 29 29 GLY HA3 H 29 3.725 3.856 -0.131 1
1 288 . 19 1 1 A 29 29 GLY C C 29 176.487 174.272 2.215 1
1 289 . 19 1 1 A 29 29 GLY CA C 29 47.610 47.319 0.291 1
1 290 . 19 1 1 A 29 29 GLY N N 29 120.095 115.758 4.337 1
1 291 . 19 1 1 A 30 30 ASN H H 30 8.566 8.223 0.343 1
1 292 . 19 1 1 A 30 30 ASN HA H 30 4.422 4.970 -0.548 1
1 297 . 19 1 1 A 30 30 ASN C C 30 172.841 174.376 -1.535 1
1 298 . 19 1 1 A 30 30 ASN CA C 30 53.100 52.309 0.791 1
1 299 . 19 1 1 A 30 30 ASN CB C 30 38.630 39.586 -0.956 1
1 300 . 19 1 1 A 30 30 ASN N N 30 120.808 119.483 1.325 1
1 302 . 19 1 1 A 31 31 GLN H H 31 7.713 7.394 0.319 1
1 303 . 19 1 1 A 31 31 GLN HA H 31 5.672 5.056 0.616 1
1 310 . 19 1 1 A 31 31 GLN C C 31 174.828 174.059 0.769 1
1 311 . 19 1 1 A 31 31 GLN CA C 31 54.730 54.109 0.621 1
1 312 . 19 1 1 A 31 31 GLN CB C 31 32.800 32.282 0.518 1
1 314 . 19 1 1 A 31 31 GLN N N 31 118.262 120.329 -2.067 1
1 316 . 19 1 1 A 32 32 ILE H H 32 9.113 8.694 0.419 1
1 317 . 19 1 1 A 32 32 ILE HA H 32 4.454 4.647 -0.193 1
1 327 . 19 1 1 A 32 32 ILE C C 32 173.439 173.549 -0.110 1
1 328 . 19 1 1 A 32 32 ILE CA C 32 59.610 59.426 0.184 1
1 329 . 19 1 1 A 32 32 ILE CB C 32 42.350 41.274 1.076 1
1 333 . 19 1 1 A 32 32 ILE N N 32 124.849 122.583 2.266 1
1 334 . 19 1 1 A 33 33 ASP H H 33 9.066 8.829 0.237 1
1 335 . 19 1 1 A 33 33 ASP HA H 33 5.077 4.952 0.125 1
1 338 . 19 1 1 A 33 33 ASP C C 33 178.378 177.098 1.280 1
1 339 . 19 1 1 A 33 33 ASP CA C 33 53.460 53.271 0.189 1
1 340 . 19 1 1 A 33 33 ASP CB C 33 43.180 42.315 0.865 1
1 341 . 19 1 1 A 33 33 ASP N N 33 127.594 127.263 0.331 1
1 342 . 19 1 1 A 34 34 SER H H 34 9.524 9.128 0.396 1
1 343 . 19 1 1 A 34 34 SER HA H 34 3.902 4.290 -0.388 1
1 346 . 19 1 1 A 34 34 SER C C 34 175.876 176.907 -1.031 1
1 347 . 19 1 1 A 34 34 SER CA C 34 61.980 61.204 0.776 1
1 348 . 19 1 1 A 34 34 SER CB C 34 61.510 62.709 -1.199 1
1 349 . 19 1 1 A 34 34 SER N N 34 125.026 118.884 6.142 1
1 350 . 19 1 1 A 35 35 ARG H H 35 9.022 7.522 1.500 1
1 351 . 19 1 1 A 35 35 ARG HA H 35 4.235 4.258 -0.023 1
1 358 . 19 1 1 A 35 35 ARG C C 35 178.661 178.781 -0.120 1
1 359 . 19 1 1 A 35 35 ARG CA C 35 58.840 59.207 -0.367 1
1 360 . 19 1 1 A 35 35 ARG CB C 35 29.970 29.879 0.091 1
1 363 . 19 1 1 A 35 35 ARG N N 35 122.601 121.759 0.842 1
1 364 . 19 1 1 A 36 36 GLU H H 36 7.689 7.790 -0.101 1
1 365 . 19 1 1 A 36 36 GLU HA H 36 4.202 4.019 0.183 1
1 370 . 19 1 1 A 36 36 GLU C C 36 177.285 179.209 -1.924 1
1 371 . 19 1 1 A 36 36 GLU CA C 36 57.340 58.926 -1.586 1
1 372 . 19 1 1 A 36 36 GLU CB C 36 30.910 29.325 1.585 1
1 374 . 19 1 1 A 36 36 GLU N N 36 115.420 120.107 -4.687 1
1 375 . 19 1 1 A 37 37 LEU H H 37 7.280 8.058 -0.778 1
1 376 . 19 1 1 A 37 37 LEU HA H 37 3.805 4.002 -0.197 1
1 386 . 19 1 1 A 37 37 LEU C C 37 176.410 177.974 -1.564 1
1 387 . 19 1 1 A 37 37 LEU CA C 37 56.790 57.511 -0.721 1
1 388 . 19 1 1 A 37 37 LEU CB C 37 42.510 42.149 0.361 1
1 392 . 19 1 1 A 37 37 LEU N N 37 117.043 119.621 -2.578 1
1 393 . 19 1 1 A 38 38 PHE H H 38 7.431 8.110 -0.679 1
1 394 . 19 1 1 A 38 38 PHE HA H 38 4.884 4.701 0.183 1
1 402 . 19 1 1 A 38 38 PHE C C 38 176.018 176.163 -0.145 1
1 403 . 19 1 1 A 38 38 PHE CA C 38 57.320 57.534 -0.214 1
1 404 . 19 1 1 A 38 38 PHE CB C 38 38.500 38.317 0.183 1
1 408 . 19 1 1 A 38 38 PHE N N 38 115.439 115.201 0.238 1
1 409 . 19 1 1 A 39 39 THR H H 39 7.632 7.690 -0.058 1
1 410 . 19 1 1 A 39 39 THR HA H 39 4.256 3.926 0.330 1
1 415 . 19 1 1 A 39 39 THR C C 39 175.986 175.687 0.299 1
1 416 . 19 1 1 A 39 39 THR CA C 39 62.630 65.353 -2.723 1
1 417 . 19 1 1 A 39 39 THR CB C 39 69.240 69.104 0.136 1
1 419 . 19 1 1 A 39 39 THR N N 39 112.395 115.443 -3.048 1
1 420 . 19 1 1 A 40 40 VAL H H 40 8.246 7.737 0.509 1
1 421 . 19 1 1 A 40 40 VAL HA H 40 4.121 4.215 -0.094 1
1 429 . 19 1 1 A 40 40 VAL C C 40 175.233 175.377 -0.144 1
1 430 . 19 1 1 A 40 40 VAL CA C 40 63.340 63.661 -0.321 1
1 431 . 19 1 1 A 40 40 VAL CB C 40 32.870 33.853 -0.983 1
1 434 . 19 1 1 A 40 40 VAL N N 40 118.329 119.501 -1.172 1
1 435 . 19 1 1 A 41 41 ASP H H 41 8.048 8.104 -0.056 1
1 436 . 19 1 1 A 41 41 ASP HA H 41 4.792 4.801 -0.009 1
1 439 . 19 1 1 A 41 41 ASP CA C 41 53.950 52.904 1.046 1
1 440 . 19 1 1 A 41 41 ASP CB C 41 43.630 42.956 0.674 1
1 441 . 19 1 1 A 41 41 ASP N N 41 120.465 120.798 -0.333 1
1 442 . 19 1 1 A 42 42 ARG H H 42 8.639 8.887 -0.248 1
1 443 . 19 1 1 A 42 42 ARG HA H 42 4.157 4.805 -0.648 1
1 450 . 19 1 1 A 42 42 ARG C C 42 173.606 175.419 -1.813 1
1 451 . 19 1 1 A 42 42 ARG CA C 42 56.340 55.750 0.590 1
1 452 . 19 1 1 A 42 42 ARG CB C 42 29.930 31.374 -1.444 1
1 455 . 19 1 1 A 42 42 ARG N N 42 116.578 121.046 -4.468 1
1 456 . 19 1 1 A 43 43 GLU H H 43 7.452 7.731 -0.279 1
1 457 . 19 1 1 A 43 43 GLU HA H 43 5.413 5.563 -0.150 1
1 462 . 19 1 1 A 43 43 GLU C C 43 174.192 174.261 -0.069 1
1 463 . 19 1 1 A 43 43 GLU CA C 43 55.100 55.989 -0.889 1
1 464 . 19 1 1 A 43 43 GLU CB C 43 34.110 33.355 0.755 1
1 466 . 19 1 1 A 43 43 GLU N N 43 116.369 120.197 -3.828 1
1 467 . 19 1 1 A 44 44 ILE H H 44 9.056 9.417 -0.361 1
1 468 . 19 1 1 A 44 44 ILE HA H 44 4.696 4.858 -0.162 1
1 478 . 19 1 1 A 44 44 ILE C C 44 173.831 174.764 -0.933 1
1 479 . 19 1 1 A 44 44 ILE CA C 44 58.070 59.601 -1.531 1
1 480 . 19 1 1 A 44 44 ILE CB C 44 41.140 42.185 -1.045 1
1 484 . 19 1 1 A 44 44 ILE N N 44 123.963 126.483 -2.520 1
1 485 . 19 1 1 A 45 45 VAL H H 45 8.740 8.996 -0.256 1
1 486 . 19 1 1 A 45 45 VAL HA H 45 4.850 5.006 -0.156 1
1 494 . 19 1 1 A 45 45 VAL C C 45 175.175 174.911 0.264 1
1 495 . 19 1 1 A 45 45 VAL CA C 45 60.990 61.402 -0.412 1
1 496 . 19 1 1 A 45 45 VAL CB C 45 33.810 32.650 1.160 1
1 499 . 19 1 1 A 45 45 VAL N N 45 126.299 126.704 -0.405 1
1 500 . 19 1 1 A 46 46 ILE H H 46 9.367 9.308 0.059 1
1 501 . 19 1 1 A 46 46 ILE HA H 46 4.830 4.615 0.215 1
1 511 . 19 1 1 A 46 46 ILE C C 46 175.433 175.550 -0.117 1
1 512 . 19 1 1 A 46 46 ILE CA C 46 59.350 60.508 -1.158 1
1 513 . 19 1 1 A 46 46 ILE CB C 46 39.410 38.093 1.317 1
1 517 . 19 1 1 A 46 46 ILE N N 46 126.797 128.886 -2.089 1
1 518 . 19 1 1 A 47 47 ALA H H 47 9.173 8.731 0.442 1
1 519 . 19 1 1 A 47 47 ALA HA H 47 4.790 4.887 -0.097 1
1 523 . 19 1 1 A 47 47 ALA C C 47 175.394 176.692 -1.298 1
1 524 . 19 1 1 A 47 47 ALA CA C 47 51.500 51.824 -0.324 1
1 525 . 19 1 1 A 47 47 ALA CB C 47 19.020 20.253 -1.233 1
1 526 . 19 1 1 A 47 47 ALA N N 47 131.668 131.567 0.101 1
1 527 . 19 1 1 A 48 48 HIS H H 48 8.473 9.119 -0.646 1
1 528 . 19 1 1 A 48 48 HIS HA H 48 5.394 4.938 0.456 1
1 533 . 19 1 1 A 48 48 HIS C C 48 175.182 175.137 0.045 1
1 534 . 19 1 1 A 48 48 HIS CA C 48 54.520 55.533 -1.013 1
1 535 . 19 1 1 A 48 48 HIS CB C 48 33.190 32.285 0.905 1
1 538 . 19 1 1 A 48 48 HIS N N 48 126.144 122.785 3.359 1
1 539 . 19 1 1 A 49 49 GLY H H 49 8.847 8.884 -0.037 1
1 540 . 19 1 1 A 49 49 GLY HA2 H 49 3.795 3.603 0.192 1
1 541 . 19 1 1 A 49 49 GLY HA3 H 49 3.549 3.642 -0.093 1
1 542 . 19 1 1 A 49 49 GLY CA C 49 46.950 47.154 -0.204 1
1 543 . 19 1 1 A 49 49 GLY N N 49 117.318 116.083 1.235 1
1 544 . 19 1 1 A 50 50 ASP HA H 50 4.639 4.618 0.021 1
1 547 . 19 1 1 A 50 50 ASP C C 50 175.825 175.828 -0.003 1
1 548 . 19 1 1 A 50 50 ASP CA C 50 55.070 55.286 -0.216 1
1 549 . 19 1 1 A 50 50 ASP CB C 50 31.070 42.133 -11.063 1
1 550 . 19 1 1 A 51 51 ASP H H 51 8.166 7.254 0.912 1
1 551 . 19 1 1 A 51 51 ASP HA H 51 4.810 4.741 0.069 1
1 554 . 19 1 1 A 51 51 ASP C C 51 176.635 174.814 1.821 1
1 555 . 19 1 1 A 51 51 ASP CA C 51 53.950 53.451 0.499 1
1 556 . 19 1 1 A 51 51 ASP CB C 51 43.250 42.802 0.448 1
1 557 . 19 1 1 A 51 51 ASP N N 51 120.310 119.380 0.930 1
1 558 . 19 1 1 A 52 52 ARG H H 52 8.784 8.289 0.495 1
1 559 . 19 1 1 A 52 52 ARG HA H 52 4.970 5.151 -0.181 1
1 566 . 19 1 1 A 52 52 ARG C C 52 174.757 174.605 0.152 1
1 567 . 19 1 1 A 52 52 ARG CA C 52 54.250 54.552 -0.302 1
1 568 . 19 1 1 A 52 52 ARG CB C 52 31.440 33.388 -1.948 1
1 571 . 19 1 1 A 52 52 ARG N N 52 123.348 122.833 0.515 1
1 572 . 19 1 1 A 53 53 TYR H H 53 8.850 9.460 -0.610 1
1 573 . 19 1 1 A 53 53 TYR HA H 53 4.806 5.024 -0.218 1
1 580 . 19 1 1 A 53 53 TYR C C 53 174.989 175.128 -0.139 1
1 581 . 19 1 1 A 53 53 TYR CA C 53 56.850 56.971 -0.121 1
1 582 . 19 1 1 A 53 53 TYR CB C 53 41.480 41.012 0.468 1
1 585 . 19 1 1 A 53 53 TYR N N 53 122.391 122.884 -0.493 1
1 586 . 19 1 1 A 54 54 ARG H H 54 9.387 9.282 0.105 1
1 587 . 19 1 1 A 54 54 ARG HA H 54 4.936 4.814 0.122 1
1 594 . 19 1 1 A 54 54 ARG C C 54 174.076 174.304 -0.228 1
1 595 . 19 1 1 A 54 54 ARG CA C 54 55.100 55.785 -0.685 1
1 596 . 19 1 1 A 54 54 ARG CB C 54 31.750 31.167 0.583 1
1 599 . 19 1 1 A 54 54 ARG N N 54 120.797 123.278 -2.481 1
1 600 . 19 1 1 A 55 55 LEU H H 55 9.271 9.367 -0.096 1
1 601 . 19 1 1 A 55 55 LEU HA H 55 5.237 5.136 0.101 1
1 611 . 19 1 1 A 55 55 LEU C C 55 174.841 175.291 -0.450 1
1 612 . 19 1 1 A 55 55 LEU CA C 55 53.590 54.050 -0.460 1
1 613 . 19 1 1 A 55 55 LEU CB C 55 43.470 44.331 -0.861 1
1 617 . 19 1 1 A 55 55 LEU N N 55 128.735 127.487 1.248 1
1 618 . 19 1 1 A 56 56 ARG H H 56 9.000 9.140 -0.140 1
1 619 . 19 1 1 A 56 56 ARG HA H 56 5.110 5.092 0.018 1
1 626 . 19 1 1 A 56 56 ARG C C 56 173.413 173.736 -0.323 1
1 627 . 19 1 1 A 56 56 ARG CA C 56 54.440 54.464 -0.024 1
1 628 . 19 1 1 A 56 56 ARG CB C 56 34.540 33.781 0.759 1
1 631 . 19 1 1 A 56 56 ARG N N 56 125.280 128.733 -3.453 1
1 632 . 19 1 1 A 57 57 LEU H H 57 7.631 8.904 -1.273 1
1 633 . 19 1 1 A 57 57 LEU HA H 57 4.667 4.689 -0.022 1
1 643 . 19 1 1 A 57 57 LEU C C 57 177.709 177.072 0.637 1
1 644 . 19 1 1 A 57 57 LEU CA C 57 52.710 53.387 -0.677 1
1 645 . 19 1 1 A 57 57 LEU CB C 57 42.480 44.081 -1.601 1
1 649 . 19 1 1 A 57 57 LEU N N 57 122.967 128.001 -5.034 1
1 650 . 19 1 1 A 58 58 THR H H 58 9.001 8.880 0.121 1
1 651 . 19 1 1 A 58 58 THR HA H 58 4.508 4.634 -0.126 1
1 656 . 19 1 1 A 58 58 THR CA C 58 60.440 60.183 0.257 1
1 657 . 19 1 1 A 58 58 THR CB C 58 71.960 71.618 0.342 1
1 659 . 19 1 1 A 58 58 THR N N 58 116.533 115.032 1.501 1
1 660 . 19 1 1 A 60 60 GLN HA H 60 4.433 4.533 -0.100 1
1 665 . 19 1 1 A 60 60 GLN C C 60 174.738 176.925 -2.187 1
1 666 . 19 1 1 A 60 60 GLN CA C 60 55.280 56.443 -1.163 1
1 667 . 19 1 1 A 60 60 GLN CB C 60 28.190 30.876 -2.686 1
1 669 . 19 1 1 A 61 61 ASN H H 61 8.333 8.316 0.017 1
1 670 . 19 1 1 A 61 61 ASN HA H 61 4.262 4.783 -0.521 1
1 675 . 19 1 1 A 61 61 ASN C C 61 174.725 175.995 -1.270 1
1 676 . 19 1 1 A 61 61 ASN CA C 61 54.130 54.997 -0.867 1
1 677 . 19 1 1 A 61 61 ASN CB C 61 37.560 38.408 -0.848 1
1 678 . 19 1 1 A 61 61 ASN N N 61 116.480 117.666 -1.186 1
1 680 . 19 1 1 A 62 62 LYS H H 62 7.111 7.840 -0.729 1
1 681 . 19 1 1 A 62 62 LYS HA H 62 4.520 4.733 -0.213 1
1 690 . 19 1 1 A 62 62 LYS C C 62 174.057 174.185 -0.128 1
1 691 . 19 1 1 A 62 62 LYS CA C 62 53.930 54.486 -0.556 1
1 692 . 19 1 1 A 62 62 LYS CB C 62 34.060 34.334 -0.274 1
1 696 . 19 1 1 A 62 62 LYS N N 62 116.535 113.112 3.423 1
1 697 . 19 1 1 A 63 63 LEU H H 63 6.706 8.596 -1.890 1
1 698 . 19 1 1 A 63 63 LEU HA H 63 5.093 5.285 -0.192 1
1 708 . 19 1 1 A 63 63 LEU C C 63 175.503 174.940 0.563 1
1 709 . 19 1 1 A 63 63 LEU CA C 63 53.330 52.887 0.443 1
1 710 . 19 1 1 A 63 63 LEU CB C 63 43.280 46.270 -2.990 1
1 714 . 19 1 1 A 63 63 LEU N N 63 119.236 113.729 5.507 1
1 715 . 19 1 1 A 64 64 ILE H H 64 8.471 8.758 -0.287 1
1 716 . 19 1 1 A 64 64 ILE HA H 64 4.429 5.042 -0.613 1
1 726 . 19 1 1 A 64 64 ILE C C 64 172.642 173.726 -1.084 1
1 727 . 19 1 1 A 64 64 ILE CA C 64 59.520 58.789 0.731 1
1 728 . 19 1 1 A 64 64 ILE CB C 64 42.740 42.386 0.354 1
1 732 . 19 1 1 A 64 64 ILE N N 64 116.258 114.703 1.555 1
1 733 . 19 1 1 A 65 65 LEU H H 65 8.429 8.836 -0.407 1
1 734 . 19 1 1 A 65 65 LEU HA H 65 5.543 5.211 0.332 1
1 744 . 19 1 1 A 65 65 LEU C C 65 176.050 174.851 1.199 1
1 745 . 19 1 1 A 65 65 LEU CA C 65 53.230 53.328 -0.098 1
1 746 . 19 1 1 A 65 65 LEU CB C 65 46.610 45.130 1.480 1
1 750 . 19 1 1 A 65 65 LEU N N 65 125.259 124.620 0.639 1
1 751 . 19 1 1 A 66 66 THR H H 66 9.302 8.634 0.668 1
1 752 . 19 1 1 A 66 66 THR HA H 66 4.905 4.839 0.066 1
1 757 . 19 1 1 A 66 66 THR C C 66 172.436 172.238 0.198 1
1 758 . 19 1 1 A 66 66 THR CA C 66 59.850 60.541 -0.691 1
1 759 . 19 1 1 A 66 66 THR CB C 66 71.650 69.807 1.843 1
1 761 . 19 1 1 A 66 66 THR N N 66 121.417 118.328 3.089 1
1 7 . 20 1 1 A 2 2 MET H H 2 8.334 8.735 -0.401 1
1 8 . 20 1 1 A 2 2 MET HA H 2 4.432 4.878 -0.446 1
1 16 . 20 1 1 A 2 2 MET C C 2 176.391 174.929 1.462 1
1 17 . 20 1 1 A 2 2 MET CA C 2 55.880 54.537 1.343 1
1 18 . 20 1 1 A 2 2 MET CB C 2 32.400 35.048 -2.648 1
1 21 . 20 1 1 A 2 2 MET N N 2 121.118 123.036 -1.918 1
1 22 . 20 1 1 A 3 3 THR H H 3 8.177 8.758 -0.581 1
1 23 . 20 1 1 A 3 3 THR HA H 3 4.338 4.369 -0.031 1
1 28 . 20 1 1 A 3 3 THR C C 3 174.455 173.909 0.546 1
1 29 . 20 1 1 A 3 3 THR CA C 3 61.410 62.023 -0.613 1
1 30 . 20 1 1 A 3 3 THR CB C 3 69.710 68.529 1.181 1
1 32 . 20 1 1 A 3 3 THR N N 3 115.029 118.577 -3.548 1
1 33 . 20 1 1 A 4 4 ALA H H 4 8.429 8.730 -0.301 1
1 34 . 20 1 1 A 4 4 ALA HA H 4 4.303 4.378 -0.075 1
1 38 . 20 1 1 A 4 4 ALA C C 4 178.127 176.567 1.560 1
1 39 . 20 1 1 A 4 4 ALA CA C 4 52.580 52.012 0.568 1
1 40 . 20 1 1 A 4 4 ALA CB C 4 19.370 18.846 0.524 1
1 41 . 20 1 1 A 4 4 ALA N N 4 126.222 130.992 -4.770 1
1 42 . 20 1 1 A 5 5 SER H H 5 8.257 8.593 -0.336 1
1 43 . 20 1 1 A 5 5 SER HA H 5 4.352 4.652 -0.300 1
1 46 . 20 1 1 A 5 5 SER C C 5 174.687 174.171 0.516 1
1 47 . 20 1 1 A 5 5 SER CA C 5 58.790 60.276 -1.486 1
1 48 . 20 1 1 A 5 5 SER CB C 5 63.720 64.825 -1.105 1
1 49 . 20 1 1 A 5 5 SER N N 5 114.762 119.463 -4.701 1
1 50 . 20 1 1 A 6 6 ASP H H 6 8.186 7.659 0.527 1
1 51 . 20 1 1 A 6 6 ASP HA H 6 4.547 4.641 -0.094 1
1 54 . 20 1 1 A 6 6 ASP C C 6 176.423 175.602 0.821 1
1 55 . 20 1 1 A 6 6 ASP CA C 6 54.760 52.995 1.765 1
1 56 . 20 1 1 A 6 6 ASP CB C 6 41.110 41.989 -0.879 1
1 57 . 20 1 1 A 6 6 ASP N N 6 122.104 119.637 2.467 1
1 58 . 20 1 1 A 7 7 ARG H H 7 8.063 9.004 -0.941 1
1 59 . 20 1 1 A 7 7 ARG HA H 7 4.276 5.053 -0.777 1
1 66 . 20 1 1 A 7 7 ARG C C 7 176.455 173.935 2.520 1
1 67 . 20 1 1 A 7 7 ARG CA C 7 56.310 54.230 2.080 1
1 68 . 20 1 1 A 7 7 ARG CB C 7 30.470 34.564 -4.094 1
1 71 . 20 1 1 A 7 7 ARG N N 7 120.343 115.378 4.965 1
1 72 . 20 1 1 A 8 8 LEU H H 8 8.157 8.709 -0.552 1
1 73 . 20 1 1 A 8 8 LEU HA H 8 4.288 4.822 -0.534 1
1 83 . 20 1 1 A 8 8 LEU C C 8 177.940 175.840 2.100 1
1 84 . 20 1 1 A 8 8 LEU CA C 8 55.630 53.904 1.726 1
1 85 . 20 1 1 A 8 8 LEU CB C 8 42.540 43.626 -1.086 1
1 89 . 20 1 1 A 8 8 LEU N N 8 122.546 122.100 0.446 1
1 90 . 20 1 1 A 9 9 GLY H H 9 8.290 8.368 -0.078 1
1 91 . 20 1 1 A 9 9 GLY HA2 H 9 3.896 4.159 -0.263 1
1 92 . 20 1 1 A 9 9 GLY HA3 H 9 3.896 4.160 -0.264 1
1 93 . 20 1 1 A 9 9 GLY C C 9 173.664 173.730 -0.066 1
1 94 . 20 1 1 A 9 9 GLY CA C 9 45.320 45.712 -0.392 1
1 95 . 20 1 1 A 9 9 GLY N N 9 109.549 114.222 -4.673 1
1 96 . 20 1 1 A 10 10 ALA H H 10 7.980 8.008 -0.028 1
1 97 . 20 1 1 A 10 10 ALA HA H 10 4.276 4.363 -0.087 1
1 101 . 20 1 1 A 10 10 ALA C C 10 177.182 176.786 0.396 1
1 102 . 20 1 1 A 10 10 ALA CA C 10 52.130 51.725 0.405 1
1 103 . 20 1 1 A 10 10 ALA CB C 10 19.460 17.399 2.061 1
1 104 . 20 1 1 A 10 10 ALA N N 10 123.266 122.559 0.707 1
1 105 . 20 1 1 A 11 11 ASP H H 11 8.292 7.583 0.709 1
1 106 . 20 1 1 A 11 11 ASP HA H 11 4.840 4.783 0.057 1
1 109 . 20 1 1 A 11 11 ASP CA C 11 51.950 51.768 0.182 1
1 110 . 20 1 1 A 11 11 ASP CB C 11 41.320 41.815 -0.495 1
1 111 . 20 1 1 A 11 11 ASP N N 11 120.930 120.456 0.474 1
1 112 . 20 1 1 A 12 12 PRO HA H 12 4.450 4.764 -0.314 1
1 119 . 20 1 1 A 12 12 PRO C C 12 177.670 176.378 1.292 1
1 120 . 20 1 1 A 12 12 PRO CA C 12 63.940 62.552 1.388 1
1 121 . 20 1 1 A 12 12 PRO CB C 12 32.180 31.010 1.170 1
1 124 . 20 1 1 A 13 13 THR H H 13 8.304 7.912 0.392 1
1 125 . 20 1 1 A 13 13 THR HA H 13 4.234 4.424 -0.190 1
1 130 . 20 1 1 A 13 13 THR C C 13 175.085 174.582 0.503 1
1 131 . 20 1 1 A 13 13 THR CA C 13 62.770 62.553 0.217 1
1 132 . 20 1 1 A 13 13 THR CB C 13 69.509 69.280 0.229 1
1 134 . 20 1 1 A 13 13 THR N N 13 112.749 117.002 -4.253 1
1 135 . 20 1 1 A 14 14 GLN H H 14 7.963 8.727 -0.764 1
1 136 . 20 1 1 A 14 14 GLN HA H 14 4.282 4.368 -0.086 1
1 141 . 20 1 1 A 14 14 GLN C C 14 175.773 176.029 -0.256 1
1 142 . 20 1 1 A 14 14 GLN CA C 14 55.770 55.180 0.590 1
1 143 . 20 1 1 A 14 14 GLN CB C 14 29.440 28.083 1.357 1
1 145 . 20 1 1 A 14 14 GLN N N 14 121.849 124.770 -2.921 1
1 146 . 20 1 1 A 15 15 ALA H H 15 8.150 8.312 -0.162 1
1 147 . 20 1 1 A 15 15 ALA HA H 15 4.237 4.333 -0.096 1
1 151 . 20 1 1 A 15 15 ALA C C 15 177.587 177.724 -0.137 1
1 152 . 20 1 1 A 15 15 ALA CA C 15 52.750 53.503 -0.753 1
1 153 . 20 1 1 A 15 15 ALA CB C 15 19.180 19.775 -0.595 1
1 154 . 20 1 1 A 15 15 ALA N N 15 125.125 127.704 -2.579 1
1 155 . 20 1 1 A 16 16 ALA H H 16 8.234 7.513 0.721 1
1 156 . 20 1 1 A 16 16 ALA HA H 16 4.291 4.451 -0.160 1
1 160 . 20 1 1 A 16 16 ALA C C 16 177.741 176.352 1.389 1
1 161 . 20 1 1 A 16 16 ALA CA C 16 52.410 52.094 0.316 1
1 162 . 20 1 1 A 16 16 ALA CB C 16 19.130 20.120 -0.990 1
1 163 . 20 1 1 A 16 16 ALA N N 16 123.189 118.494 4.695 1
1 164 . 20 1 1 A 17 17 SER H H 17 8.162 8.820 -0.658 1
1 165 . 20 1 1 A 17 17 SER HA H 17 4.431 4.581 -0.150 1
1 168 . 20 1 1 A 17 17 SER CA C 17 58.160 57.999 0.161 1
1 169 . 20 1 1 A 17 17 SER CB C 17 64.030 61.438 2.592 1
1 170 . 20 1 1 A 17 17 SER N N 17 114.762 119.706 -4.944 1
1 171 . 20 1 1 A 18 18 SER H H 18 8.246 8.148 0.098 1
1 172 . 20 1 1 A 18 18 SER HA H 18 4.747 5.062 -0.315 1
1 173 . 20 1 1 A 18 18 SER CA C 18 58.640 55.697 2.943 1
1 174 . 20 1 1 A 18 18 SER N N 18 118.482 119.182 -0.700 1
1 175 . 20 1 1 A 19 19 PRO HA H 19 4.426 4.440 -0.014 1
1 182 . 20 1 1 A 19 19 PRO CA C 19 63.790 63.779 0.011 1
1 183 . 20 1 1 A 19 19 PRO CB C 19 32.220 32.056 0.164 1
1 186 . 20 1 1 A 20 20 GLY H H 20 8.452 8.047 0.405 1
1 187 . 20 1 1 A 20 20 GLY HA2 H 20 3.938 3.950 -0.012 1
1 188 . 20 1 1 A 20 20 GLY HA3 H 20 3.938 3.950 -0.012 1
1 189 . 20 1 1 A 20 20 GLY C C 20 174.674 175.206 -0.532 1
1 190 . 20 1 1 A 20 20 GLY CA C 20 45.330 46.308 -0.978 1
1 191 . 20 1 1 A 20 20 GLY N N 20 109.329 110.184 -0.855 1
1 192 . 20 1 1 A 21 21 GLY H H 21 8.217 8.072 0.145 1
1 193 . 20 1 1 A 21 21 GLY HA2 H 21 3.946 4.061 -0.115 1
1 194 . 20 1 1 A 21 21 GLY HA3 H 21 3.946 4.061 -0.115 1
1 195 . 20 1 1 A 21 21 GLY C C 21 173.555 172.315 1.240 1
1 196 . 20 1 1 A 21 21 GLY CA C 21 45.390 44.735 0.655 1
1 197 . 20 1 1 A 21 21 GLY N N 21 108.749 107.940 0.809 1
1 198 . 20 1 1 A 22 22 ALA H H 22 8.147 8.318 -0.171 1
1 199 . 20 1 1 A 22 22 ALA HA H 22 4.866 5.402 -0.536 1
1 203 . 20 1 1 A 22 22 ALA C C 22 176.931 176.560 0.371 1
1 204 . 20 1 1 A 22 22 ALA CA C 22 51.910 50.369 1.541 1
1 205 . 20 1 1 A 22 22 ALA CB C 22 20.490 21.334 -0.844 1
1 206 . 20 1 1 A 22 22 ALA N N 22 124.041 121.492 2.549 1
1 207 . 20 1 1 A 23 23 ARG H H 23 8.699 9.020 -0.321 1
1 208 . 20 1 1 A 23 23 ARG HA H 23 4.641 4.953 -0.312 1
1 215 . 20 1 1 A 23 23 ARG C C 23 173.587 174.030 -0.443 1
1 216 . 20 1 1 A 23 23 ARG CA C 23 55.000 54.125 0.875 1
1 217 . 20 1 1 A 23 23 ARG CB C 23 32.420 33.842 -1.422 1
1 220 . 20 1 1 A 23 23 ARG N N 23 120.753 120.532 0.221 1
1 221 . 20 1 1 A 24 24 ALA H H 24 8.408 8.690 -0.282 1
1 222 . 20 1 1 A 24 24 ALA HA H 24 5.145 5.345 -0.200 1
1 226 . 20 1 1 A 24 24 ALA C C 24 177.092 176.719 0.373 1
1 227 . 20 1 1 A 24 24 ALA CA C 24 51.160 50.339 0.821 1
1 228 . 20 1 1 A 24 24 ALA CB C 24 21.490 20.832 0.658 1
1 229 . 20 1 1 A 24 24 ALA N N 24 124.606 123.131 1.475 1
1 230 . 20 1 1 A 25 25 VAL H H 25 8.842 9.027 -0.185 1
1 231 . 20 1 1 A 25 25 VAL HA H 25 4.411 4.854 -0.443 1
1 239 . 20 1 1 A 25 25 VAL C C 25 174.558 175.225 -0.667 1
1 240 . 20 1 1 A 25 25 VAL CA C 25 60.160 59.371 0.789 1
1 241 . 20 1 1 A 25 25 VAL CB C 25 34.450 34.612 -0.162 1
1 244 . 20 1 1 A 25 25 VAL N N 25 120.299 117.804 2.495 1
1 245 . 20 1 1 A 26 26 SER H H 26 8.744 8.937 -0.193 1
1 246 . 20 1 1 A 26 26 SER HA H 26 4.747 5.232 -0.485 1
1 249 . 20 1 1 A 26 26 SER C C 26 173.304 174.169 -0.865 1
1 250 . 20 1 1 A 26 26 SER CA C 26 58.720 56.138 2.582 1
1 251 . 20 1 1 A 26 26 SER CB C 26 63.910 65.322 -1.412 1
1 252 . 20 1 1 A 26 26 SER N N 26 121.229 118.468 2.761 1
1 253 . 20 1 1 A 27 27 ILE H H 27 8.716 8.871 -0.155 1
1 254 . 20 1 1 A 27 27 ILE HA H 27 4.360 4.740 -0.380 1
1 264 . 20 1 1 A 27 27 ILE C C 27 175.478 174.433 1.045 1
1 265 . 20 1 1 A 27 27 ILE CA C 27 60.670 60.632 0.038 1
1 266 . 20 1 1 A 27 27 ILE CB C 27 39.210 40.428 -1.218 1
1 270 . 20 1 1 A 27 27 ILE N N 27 124.450 122.584 1.866 1
1 271 . 20 1 1 A 28 28 VAL H H 28 8.426 8.716 -0.290 1
1 272 . 20 1 1 A 28 28 VAL HA H 28 4.298 4.771 -0.473 1
1 280 . 20 1 1 A 28 28 VAL CA C 28 61.850 60.773 1.077 1
1 281 . 20 1 1 A 28 28 VAL CB C 28 32.790 32.749 0.041 1
1 284 . 20 1 1 A 28 28 VAL N N 28 128.723 124.329 4.394 1
1 285 . 20 1 1 A 29 29 GLY H H 29 8.953 8.905 0.048 1
1 286 . 20 1 1 A 29 29 GLY HA2 H 29 3.988 3.892 0.096 1
1 287 . 20 1 1 A 29 29 GLY HA3 H 29 3.725 3.892 -0.167 1
1 288 . 20 1 1 A 29 29 GLY C C 29 176.487 174.348 2.139 1
1 289 . 20 1 1 A 29 29 GLY CA C 29 47.610 46.909 0.701 1
1 290 . 20 1 1 A 29 29 GLY N N 29 120.095 115.329 4.766 1
1 291 . 20 1 1 A 30 30 ASN H H 30 8.566 7.985 0.581 1
1 292 . 20 1 1 A 30 30 ASN HA H 30 4.422 4.952 -0.530 1
1 297 . 20 1 1 A 30 30 ASN C C 30 172.841 174.495 -1.654 1
1 298 . 20 1 1 A 30 30 ASN CA C 30 53.100 52.461 0.639 1
1 299 . 20 1 1 A 30 30 ASN CB C 30 38.630 39.564 -0.934 1
1 300 . 20 1 1 A 30 30 ASN N N 30 120.808 118.127 2.681 1
1 302 . 20 1 1 A 31 31 GLN H H 31 7.713 7.379 0.334 1
1 303 . 20 1 1 A 31 31 GLN HA H 31 5.672 5.028 0.644 1
1 310 . 20 1 1 A 31 31 GLN C C 31 174.828 174.190 0.638 1
1 311 . 20 1 1 A 31 31 GLN CA C 31 54.730 54.416 0.314 1
1 312 . 20 1 1 A 31 31 GLN CB C 31 32.800 32.159 0.641 1
1 314 . 20 1 1 A 31 31 GLN N N 31 118.262 120.284 -2.022 1
1 316 . 20 1 1 A 32 32 ILE H H 32 9.113 8.688 0.425 1
1 317 . 20 1 1 A 32 32 ILE HA H 32 4.454 4.838 -0.384 1
1 327 . 20 1 1 A 32 32 ILE C C 32 173.439 172.787 0.652 1
1 328 . 20 1 1 A 32 32 ILE CA C 32 59.610 59.030 0.580 1
1 329 . 20 1 1 A 32 32 ILE CB C 32 42.350 41.800 0.550 1
1 333 . 20 1 1 A 32 32 ILE N N 32 124.849 123.436 1.413 1
1 334 . 20 1 1 A 33 33 ASP H H 33 9.066 8.793 0.273 1
1 335 . 20 1 1 A 33 33 ASP HA H 33 5.077 5.059 0.018 1
1 338 . 20 1 1 A 33 33 ASP C C 33 178.378 177.296 1.082 1
1 339 . 20 1 1 A 33 33 ASP CA C 33 53.460 53.808 -0.348 1
1 340 . 20 1 1 A 33 33 ASP CB C 33 43.180 42.819 0.361 1
1 341 . 20 1 1 A 33 33 ASP N N 33 127.594 128.475 -0.881 1
1 342 . 20 1 1 A 34 34 SER H H 34 9.524 9.122 0.402 1
1 343 . 20 1 1 A 34 34 SER HA H 34 3.902 4.450 -0.548 1
1 346 . 20 1 1 A 34 34 SER C C 34 175.876 176.677 -0.801 1
1 347 . 20 1 1 A 34 34 SER CA C 34 61.980 61.265 0.715 1
1 348 . 20 1 1 A 34 34 SER CB C 34 61.510 63.213 -1.703 1
1 349 . 20 1 1 A 34 34 SER N N 34 125.026 120.688 4.338 1
1 350 . 20 1 1 A 35 35 ARG H H 35 9.022 8.082 0.940 1
1 351 . 20 1 1 A 35 35 ARG HA H 35 4.235 4.219 0.016 1
1 358 . 20 1 1 A 35 35 ARG C C 35 178.661 179.248 -0.587 1
1 359 . 20 1 1 A 35 35 ARG CA C 35 58.840 59.129 -0.289 1
1 360 . 20 1 1 A 35 35 ARG CB C 35 29.970 30.014 -0.044 1
1 363 . 20 1 1 A 35 35 ARG N N 35 122.601 123.634 -1.033 1
1 364 . 20 1 1 A 36 36 GLU H H 36 7.689 8.142 -0.453 1
1 365 . 20 1 1 A 36 36 GLU HA H 36 4.202 4.034 0.168 1
1 370 . 20 1 1 A 36 36 GLU C C 36 177.285 179.240 -1.955 1
1 371 . 20 1 1 A 36 36 GLU CA C 36 57.340 58.907 -1.567 1
1 372 . 20 1 1 A 36 36 GLU CB C 36 30.910 29.365 1.545 1
1 374 . 20 1 1 A 36 36 GLU N N 36 115.420 120.318 -4.898 1
1 375 . 20 1 1 A 37 37 LEU H H 37 7.280 8.041 -0.761 1
1 376 . 20 1 1 A 37 37 LEU HA H 37 3.805 3.941 -0.136 1
1 386 . 20 1 1 A 37 37 LEU C C 37 176.410 177.957 -1.547 1
1 387 . 20 1 1 A 37 37 LEU CA C 37 56.790 57.254 -0.464 1
1 388 . 20 1 1 A 37 37 LEU CB C 37 42.510 42.129 0.381 1
1 392 . 20 1 1 A 37 37 LEU N N 37 117.043 119.555 -2.512 1
1 393 . 20 1 1 A 38 38 PHE H H 38 7.431 7.987 -0.556 1
1 394 . 20 1 1 A 38 38 PHE HA H 38 4.884 4.761 0.123 1
1 402 . 20 1 1 A 38 38 PHE C C 38 176.018 176.121 -0.103 1
1 403 . 20 1 1 A 38 38 PHE CA C 38 57.320 57.355 -0.035 1
1 404 . 20 1 1 A 38 38 PHE CB C 38 38.500 38.859 -0.359 1
1 408 . 20 1 1 A 38 38 PHE N N 38 115.439 115.124 0.315 1
1 409 . 20 1 1 A 39 39 THR H H 39 7.632 7.711 -0.079 1
1 410 . 20 1 1 A 39 39 THR HA H 39 4.256 4.021 0.235 1
1 415 . 20 1 1 A 39 39 THR C C 39 175.986 175.300 0.686 1
1 416 . 20 1 1 A 39 39 THR CA C 39 62.630 65.140 -2.510 1
1 417 . 20 1 1 A 39 39 THR CB C 39 69.240 69.201 0.039 1
1 419 . 20 1 1 A 39 39 THR N N 39 112.395 115.194 -2.799 1
1 420 . 20 1 1 A 40 40 VAL H H 40 8.246 7.510 0.736 1
1 421 . 20 1 1 A 40 40 VAL HA H 40 4.121 4.450 -0.329 1
1 429 . 20 1 1 A 40 40 VAL C C 40 175.233 174.669 0.564 1
1 430 . 20 1 1 A 40 40 VAL CA C 40 63.340 60.613 2.727 1
1 431 . 20 1 1 A 40 40 VAL CB C 40 32.870 31.649 1.221 1
1 434 . 20 1 1 A 40 40 VAL N N 40 118.329 112.862 5.467 1
1 435 . 20 1 1 A 41 41 ASP H H 41 8.048 8.121 -0.073 1
1 436 . 20 1 1 A 41 41 ASP HA H 41 4.792 5.367 -0.575 1
1 439 . 20 1 1 A 41 41 ASP CA C 41 53.950 53.846 0.104 1
1 440 . 20 1 1 A 41 41 ASP CB C 41 43.630 44.329 -0.699 1
1 441 . 20 1 1 A 41 41 ASP N N 41 120.465 122.601 -2.136 1
1 442 . 20 1 1 A 42 42 ARG H H 42 8.639 8.717 -0.078 1
1 443 . 20 1 1 A 42 42 ARG HA H 42 4.157 4.713 -0.556 1
1 450 . 20 1 1 A 42 42 ARG C C 42 173.606 175.610 -2.004 1
1 451 . 20 1 1 A 42 42 ARG CA C 42 56.340 56.179 0.161 1
1 452 . 20 1 1 A 42 42 ARG CB C 42 29.930 32.576 -2.646 1
1 455 . 20 1 1 A 42 42 ARG N N 42 116.578 123.580 -7.002 1
1 456 . 20 1 1 A 43 43 GLU H H 43 7.452 7.797 -0.345 1
1 457 . 20 1 1 A 43 43 GLU HA H 43 5.413 5.416 -0.003 1
1 462 . 20 1 1 A 43 43 GLU C C 43 174.192 174.349 -0.157 1
1 463 . 20 1 1 A 43 43 GLU CA C 43 55.100 55.978 -0.878 1
1 464 . 20 1 1 A 43 43 GLU CB C 43 34.110 33.255 0.855 1
1 466 . 20 1 1 A 43 43 GLU N N 43 116.369 118.386 -2.017 1
1 467 . 20 1 1 A 44 44 ILE H H 44 9.056 9.563 -0.507 1
1 468 . 20 1 1 A 44 44 ILE HA H 44 4.696 5.022 -0.326 1
1 478 . 20 1 1 A 44 44 ILE C C 44 173.831 175.028 -1.197 1
1 479 . 20 1 1 A 44 44 ILE CA C 44 58.070 59.789 -1.719 1
1 480 . 20 1 1 A 44 44 ILE CB C 44 41.140 41.312 -0.172 1
1 484 . 20 1 1 A 44 44 ILE N N 44 123.963 127.334 -3.371 1
1 485 . 20 1 1 A 45 45 VAL H H 45 8.740 9.086 -0.346 1
1 486 . 20 1 1 A 45 45 VAL HA H 45 4.850 4.932 -0.082 1
1 494 . 20 1 1 A 45 45 VAL C C 45 175.175 175.082 0.093 1
1 495 . 20 1 1 A 45 45 VAL CA C 45 60.990 61.380 -0.390 1
1 496 . 20 1 1 A 45 45 VAL CB C 45 33.810 32.515 1.295 1
1 499 . 20 1 1 A 45 45 VAL N N 45 126.299 127.503 -1.204 1
1 500 . 20 1 1 A 46 46 ILE H H 46 9.367 9.117 0.250 1
1 501 . 20 1 1 A 46 46 ILE HA H 46 4.830 4.609 0.221 1
1 511 . 20 1 1 A 46 46 ILE C C 46 175.433 175.531 -0.098 1
1 512 . 20 1 1 A 46 46 ILE CA C 46 59.350 60.502 -1.152 1
1 513 . 20 1 1 A 46 46 ILE CB C 46 39.410 37.994 1.416 1
1 517 . 20 1 1 A 46 46 ILE N N 46 126.797 129.035 -2.238 1
1 518 . 20 1 1 A 47 47 ALA H H 47 9.173 8.809 0.364 1
1 519 . 20 1 1 A 47 47 ALA HA H 47 4.790 5.212 -0.422 1
1 523 . 20 1 1 A 47 47 ALA C C 47 175.394 176.689 -1.295 1
1 524 . 20 1 1 A 47 47 ALA CA C 47 51.500 51.644 -0.144 1
1 525 . 20 1 1 A 47 47 ALA CB C 47 19.020 20.649 -1.629 1
1 526 . 20 1 1 A 47 47 ALA N N 47 131.668 131.426 0.242 1
1 527 . 20 1 1 A 48 48 HIS H H 48 8.473 9.283 -0.810 1
1 528 . 20 1 1 A 48 48 HIS HA H 48 5.394 4.880 0.514 1
1 533 . 20 1 1 A 48 48 HIS C C 48 175.182 175.121 0.061 1
1 534 . 20 1 1 A 48 48 HIS CA C 48 54.520 55.507 -0.987 1
1 535 . 20 1 1 A 48 48 HIS CB C 48 33.190 32.000 1.190 1
1 538 . 20 1 1 A 48 48 HIS N N 48 126.144 122.428 3.716 1
1 539 . 20 1 1 A 49 49 GLY H H 49 8.847 8.917 -0.070 1
1 540 . 20 1 1 A 49 49 GLY HA2 H 49 3.795 3.594 0.201 1
1 541 . 20 1 1 A 49 49 GLY HA3 H 49 3.549 3.632 -0.083 1
1 542 . 20 1 1 A 49 49 GLY CA C 49 46.950 47.105 -0.155 1
1 543 . 20 1 1 A 49 49 GLY N N 49 117.318 116.114 1.204 1
1 544 . 20 1 1 A 50 50 ASP HA H 50 4.639 4.710 -0.071 1
1 547 . 20 1 1 A 50 50 ASP C C 50 175.825 175.511 0.314 1
1 548 . 20 1 1 A 50 50 ASP CA C 50 55.070 53.969 1.101 1
1 549 . 20 1 1 A 50 50 ASP CB C 50 31.070 42.492 -11.422 1
1 550 . 20 1 1 A 51 51 ASP H H 51 8.166 7.593 0.573 1
1 551 . 20 1 1 A 51 51 ASP HA H 51 4.810 4.775 0.035 1
1 554 . 20 1 1 A 51 51 ASP C C 51 176.635 175.200 1.435 1
1 555 . 20 1 1 A 51 51 ASP CA C 51 53.950 53.573 0.377 1
1 556 . 20 1 1 A 51 51 ASP CB C 51 43.250 42.252 0.998 1
1 557 . 20 1 1 A 51 51 ASP N N 51 120.310 118.684 1.626 1
1 558 . 20 1 1 A 52 52 ARG H H 52 8.784 8.502 0.282 1
1 559 . 20 1 1 A 52 52 ARG HA H 52 4.970 5.363 -0.393 1
1 566 . 20 1 1 A 52 52 ARG C C 52 174.757 174.496 0.261 1
1 567 . 20 1 1 A 52 52 ARG CA C 52 54.250 54.665 -0.415 1
1 568 . 20 1 1 A 52 52 ARG CB C 52 31.440 33.620 -2.180 1
1 571 . 20 1 1 A 52 52 ARG N N 52 123.348 119.486 3.862 1
1 572 . 20 1 1 A 53 53 TYR H H 53 8.850 9.649 -0.799 1
1 573 . 20 1 1 A 53 53 TYR HA H 53 4.806 5.268 -0.462 1
1 580 . 20 1 1 A 53 53 TYR C C 53 174.989 175.380 -0.391 1
1 581 . 20 1 1 A 53 53 TYR CA C 53 56.850 56.856 -0.006 1
1 582 . 20 1 1 A 53 53 TYR CB C 53 41.480 41.908 -0.428 1
1 585 . 20 1 1 A 53 53 TYR N N 53 122.391 122.882 -0.491 1
1 586 . 20 1 1 A 54 54 ARG H H 54 9.387 9.079 0.308 1
1 587 . 20 1 1 A 54 54 ARG HA H 54 4.936 5.214 -0.278 1
1 594 . 20 1 1 A 54 54 ARG C C 54 174.076 174.554 -0.478 1
1 595 . 20 1 1 A 54 54 ARG CA C 54 55.100 54.876 0.224 1
1 596 . 20 1 1 A 54 54 ARG CB C 54 31.750 32.403 -0.653 1
1 599 . 20 1 1 A 54 54 ARG N N 54 120.797 120.979 -0.182 1
1 600 . 20 1 1 A 55 55 LEU H H 55 9.271 9.212 0.059 1
1 601 . 20 1 1 A 55 55 LEU HA H 55 5.237 5.192 0.045 1
1 611 . 20 1 1 A 55 55 LEU C C 55 174.841 175.460 -0.619 1
1 612 . 20 1 1 A 55 55 LEU CA C 55 53.590 54.432 -0.842 1
1 613 . 20 1 1 A 55 55 LEU CB C 55 43.470 43.516 -0.046 1
1 617 . 20 1 1 A 55 55 LEU N N 55 128.735 127.903 0.832 1
1 618 . 20 1 1 A 56 56 ARG H H 56 9.000 9.023 -0.023 1
1 619 . 20 1 1 A 56 56 ARG HA H 56 5.110 5.096 0.014 1
1 626 . 20 1 1 A 56 56 ARG C C 56 173.413 173.676 -0.263 1
1 627 . 20 1 1 A 56 56 ARG CA C 56 54.440 54.424 0.016 1
1 628 . 20 1 1 A 56 56 ARG CB C 56 34.540 33.370 1.170 1
1 631 . 20 1 1 A 56 56 ARG N N 56 125.280 128.469 -3.189 1
1 632 . 20 1 1 A 57 57 LEU H H 57 7.631 8.713 -1.082 1
1 633 . 20 1 1 A 57 57 LEU HA H 57 4.667 4.696 -0.029 1
1 643 . 20 1 1 A 57 57 LEU C C 57 177.709 176.402 1.307 1
1 644 . 20 1 1 A 57 57 LEU CA C 57 52.710 53.095 -0.385 1
1 645 . 20 1 1 A 57 57 LEU CB C 57 42.480 44.163 -1.683 1
1 649 . 20 1 1 A 57 57 LEU N N 57 122.967 128.121 -5.154 1
1 650 . 20 1 1 A 58 58 THR H H 58 9.001 8.828 0.173 1
1 651 . 20 1 1 A 58 58 THR HA H 58 4.508 4.611 -0.103 1
1 656 . 20 1 1 A 58 58 THR CA C 58 60.440 60.325 0.115 1
1 657 . 20 1 1 A 58 58 THR CB C 58 71.960 71.106 0.854 1
1 659 . 20 1 1 A 58 58 THR N N 58 116.533 117.025 -0.492 1
1 660 . 20 1 1 A 60 60 GLN HA H 60 4.433 4.175 0.258 1
1 665 . 20 1 1 A 60 60 GLN C C 60 174.738 176.275 -1.537 1
1 666 . 20 1 1 A 60 60 GLN CA C 60 55.280 57.688 -2.408 1
1 667 . 20 1 1 A 60 60 GLN CB C 60 28.190 28.530 -0.340 1
1 669 . 20 1 1 A 61 61 ASN H H 61 8.333 8.540 -0.207 1
1 670 . 20 1 1 A 61 61 ASN HA H 61 4.262 4.482 -0.220 1
1 675 . 20 1 1 A 61 61 ASN C C 61 174.725 174.984 -0.259 1
1 676 . 20 1 1 A 61 61 ASN CA C 61 54.130 56.006 -1.876 1
1 677 . 20 1 1 A 61 61 ASN CB C 61 37.560 39.167 -1.607 1
1 678 . 20 1 1 A 61 61 ASN N N 61 116.480 117.823 -1.343 1
1 680 . 20 1 1 A 62 62 LYS H H 62 7.111 7.951 -0.840 1
1 681 . 20 1 1 A 62 62 LYS HA H 62 4.520 4.594 -0.074 1
1 690 . 20 1 1 A 62 62 LYS C C 62 174.057 174.082 -0.025 1
1 691 . 20 1 1 A 62 62 LYS CA C 62 53.930 54.928 -0.998 1
1 692 . 20 1 1 A 62 62 LYS CB C 62 34.060 33.980 0.080 1
1 696 . 20 1 1 A 62 62 LYS N N 62 116.535 113.591 2.944 1
1 697 . 20 1 1 A 63 63 LEU H H 63 6.706 8.567 -1.861 1
1 698 . 20 1 1 A 63 63 LEU HA H 63 5.093 5.163 -0.070 1
1 708 . 20 1 1 A 63 63 LEU C C 63 175.503 174.846 0.657 1
1 709 . 20 1 1 A 63 63 LEU CA C 63 53.330 53.114 0.216 1
1 710 . 20 1 1 A 63 63 LEU CB C 63 43.280 46.214 -2.934 1
1 714 . 20 1 1 A 63 63 LEU N N 63 119.236 113.957 5.279 1
1 715 . 20 1 1 A 64 64 ILE H H 64 8.471 8.699 -0.228 1
1 716 . 20 1 1 A 64 64 ILE HA H 64 4.429 4.982 -0.553 1
1 726 . 20 1 1 A 64 64 ILE C C 64 172.642 173.600 -0.958 1
1 727 . 20 1 1 A 64 64 ILE CA C 64 59.520 58.899 0.621 1
1 728 . 20 1 1 A 64 64 ILE CB C 64 42.740 42.378 0.362 1
1 732 . 20 1 1 A 64 64 ILE N N 64 116.258 114.035 2.223 1
1 733 . 20 1 1 A 65 65 LEU H H 65 8.429 8.828 -0.399 1
1 734 . 20 1 1 A 65 65 LEU HA H 65 5.543 5.380 0.163 1
1 744 . 20 1 1 A 65 65 LEU C C 65 176.050 174.745 1.305 1
1 745 . 20 1 1 A 65 65 LEU CA C 65 53.230 53.556 -0.326 1
1 746 . 20 1 1 A 65 65 LEU CB C 65 46.610 44.555 2.055 1
1 750 . 20 1 1 A 65 65 LEU N N 65 125.259 124.003 1.256 1
1 751 . 20 1 1 A 66 66 THR H H 66 9.302 9.073 0.229 1
1 752 . 20 1 1 A 66 66 THR HA H 66 4.905 5.200 -0.295 1
1 757 . 20 1 1 A 66 66 THR C C 66 172.436 172.564 -0.128 1
1 758 . 20 1 1 A 66 66 THR CA C 66 59.850 59.739 0.111 1
1 759 . 20 1 1 A 66 66 THR CB C 66 71.650 71.540 0.110 1
1 761 . 20 1 1 A 66 66 THR N N 66 121.417 119.708 1.709 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 56 1.055 1
2 1 1 1 "RMS(OBS, PRED)" CA 64 1.096 1
3 1 1 1 "RMS(OBS, PRED)" CB 58 2.117 1
4 1 1 1 "RMS(OBS, PRED)" H 60 0.532 1
5 1 1 1 "RMS(OBS, PRED)" HA 69 0.337 1
6 1 1 1 "RMS(OBS, PRED)" N 60 2.922 1
7 1 2 1 "RMS(OBS, PRED)" C 56 1.071 1
8 1 2 1 "RMS(OBS, PRED)" CA 64 1.078 1
9 1 2 1 "RMS(OBS, PRED)" CB 58 2.133 1
10 1 2 1 "RMS(OBS, PRED)" H 60 0.522 1
11 1 2 1 "RMS(OBS, PRED)" HA 69 0.316 1
12 1 2 1 "RMS(OBS, PRED)" N 60 2.652 1
13 1 3 1 "RMS(OBS, PRED)" C 56 1.056 1
14 1 3 1 "RMS(OBS, PRED)" CA 64 0.970 1
15 1 3 1 "RMS(OBS, PRED)" CB 58 1.911 1
16 1 3 1 "RMS(OBS, PRED)" H 60 0.535 1
17 1 3 1 "RMS(OBS, PRED)" HA 69 0.302 1
18 1 3 1 "RMS(OBS, PRED)" N 60 3.095 1
19 1 4 1 "RMS(OBS, PRED)" C 56 1.120 1
20 1 4 1 "RMS(OBS, PRED)" CA 64 1.072 1
21 1 4 1 "RMS(OBS, PRED)" CB 58 1.933 1
22 1 4 1 "RMS(OBS, PRED)" H 60 0.538 1
23 1 4 1 "RMS(OBS, PRED)" HA 69 0.291 1
24 1 4 1 "RMS(OBS, PRED)" N 60 3.302 1
25 1 5 1 "RMS(OBS, PRED)" C 56 1.011 1
26 1 5 1 "RMS(OBS, PRED)" CA 64 1.045 1
27 1 5 1 "RMS(OBS, PRED)" CB 58 2.286 1
28 1 5 1 "RMS(OBS, PRED)" H 60 0.558 1
29 1 5 1 "RMS(OBS, PRED)" HA 69 0.317 1
30 1 5 1 "RMS(OBS, PRED)" N 60 2.662 1
31 1 6 1 "RMS(OBS, PRED)" C 56 1.004 1
32 1 6 1 "RMS(OBS, PRED)" CA 64 0.999 1
33 1 6 1 "RMS(OBS, PRED)" CB 58 2.044 1
34 1 6 1 "RMS(OBS, PRED)" H 60 0.520 1
35 1 6 1 "RMS(OBS, PRED)" HA 69 0.306 1
36 1 6 1 "RMS(OBS, PRED)" N 60 2.965 1
37 1 7 1 "RMS(OBS, PRED)" C 56 1.034 1
38 1 7 1 "RMS(OBS, PRED)" CA 64 1.050 1
39 1 7 1 "RMS(OBS, PRED)" CB 58 2.167 1
40 1 7 1 "RMS(OBS, PRED)" H 60 0.532 1
41 1 7 1 "RMS(OBS, PRED)" HA 69 0.327 1
42 1 7 1 "RMS(OBS, PRED)" N 60 3.032 1
43 1 8 1 "RMS(OBS, PRED)" C 56 0.991 1
44 1 8 1 "RMS(OBS, PRED)" CA 64 1.150 1
45 1 8 1 "RMS(OBS, PRED)" CB 58 1.934 1
46 1 8 1 "RMS(OBS, PRED)" H 60 0.535 1
47 1 8 1 "RMS(OBS, PRED)" HA 69 0.296 1
48 1 8 1 "RMS(OBS, PRED)" N 60 2.657 1
49 1 9 1 "RMS(OBS, PRED)" C 56 1.147 1
50 1 9 1 "RMS(OBS, PRED)" CA 64 1.065 1
51 1 9 1 "RMS(OBS, PRED)" CB 58 1.870 1
52 1 9 1 "RMS(OBS, PRED)" H 60 0.511 1
53 1 9 1 "RMS(OBS, PRED)" HA 69 0.352 1
54 1 9 1 "RMS(OBS, PRED)" N 60 2.898 1
55 1 10 1 "RMS(OBS, PRED)" C 56 1.190 1
56 1 10 1 "RMS(OBS, PRED)" CA 64 1.277 1
57 1 10 1 "RMS(OBS, PRED)" CB 58 1.853 1
58 1 10 1 "RMS(OBS, PRED)" H 60 0.502 1
59 1 10 1 "RMS(OBS, PRED)" HA 69 0.311 1
60 1 10 1 "RMS(OBS, PRED)" N 60 2.582 1
61 1 11 1 "RMS(OBS, PRED)" C 56 1.143 1
62 1 11 1 "RMS(OBS, PRED)" CA 64 1.053 1
63 1 11 1 "RMS(OBS, PRED)" CB 58 1.856 1
64 1 11 1 "RMS(OBS, PRED)" H 60 0.509 1
65 1 11 1 "RMS(OBS, PRED)" HA 69 0.318 1
66 1 11 1 "RMS(OBS, PRED)" N 60 2.596 1
67 1 12 1 "RMS(OBS, PRED)" C 56 1.144 1
68 1 12 1 "RMS(OBS, PRED)" CA 64 0.965 1
69 1 12 1 "RMS(OBS, PRED)" CB 58 1.908 1
70 1 12 1 "RMS(OBS, PRED)" H 60 0.509 1
71 1 12 1 "RMS(OBS, PRED)" HA 69 0.347 1
72 1 12 1 "RMS(OBS, PRED)" N 60 2.644 1
73 1 13 1 "RMS(OBS, PRED)" C 56 1.122 1
74 1 13 1 "RMS(OBS, PRED)" CA 64 1.036 1
75 1 13 1 "RMS(OBS, PRED)" CB 58 1.869 1
76 1 13 1 "RMS(OBS, PRED)" H 60 0.542 1
77 1 13 1 "RMS(OBS, PRED)" HA 69 0.335 1
78 1 13 1 "RMS(OBS, PRED)" N 60 2.858 1
79 1 14 1 "RMS(OBS, PRED)" C 56 1.054 1
80 1 14 1 "RMS(OBS, PRED)" CA 64 1.194 1
81 1 14 1 "RMS(OBS, PRED)" CB 58 1.908 1
82 1 14 1 "RMS(OBS, PRED)" H 60 0.520 1
83 1 14 1 "RMS(OBS, PRED)" HA 69 0.304 1
84 1 14 1 "RMS(OBS, PRED)" N 60 2.865 1
85 1 15 1 "RMS(OBS, PRED)" C 56 1.124 1
86 1 15 1 "RMS(OBS, PRED)" CA 64 1.137 1
87 1 15 1 "RMS(OBS, PRED)" CB 58 2.084 1
88 1 15 1 "RMS(OBS, PRED)" H 60 0.535 1
89 1 15 1 "RMS(OBS, PRED)" HA 69 0.367 1
90 1 15 1 "RMS(OBS, PRED)" N 60 2.928 1
91 1 16 1 "RMS(OBS, PRED)" C 56 1.068 1
92 1 16 1 "RMS(OBS, PRED)" CA 64 1.083 1
93 1 16 1 "RMS(OBS, PRED)" CB 58 1.946 1
94 1 16 1 "RMS(OBS, PRED)" H 60 0.508 1
95 1 16 1 "RMS(OBS, PRED)" HA 69 0.328 1
96 1 16 1 "RMS(OBS, PRED)" N 60 2.713 1
97 1 17 1 "RMS(OBS, PRED)" C 56 1.128 1
98 1 17 1 "RMS(OBS, PRED)" CA 64 1.153 1
99 1 17 1 "RMS(OBS, PRED)" CB 58 2.194 1
100 1 17 1 "RMS(OBS, PRED)" H 60 0.541 1
101 1 17 1 "RMS(OBS, PRED)" HA 69 0.372 1
102 1 17 1 "RMS(OBS, PRED)" N 60 3.295 1
103 1 18 1 "RMS(OBS, PRED)" C 56 1.189 1
104 1 18 1 "RMS(OBS, PRED)" CA 64 1.125 1
105 1 18 1 "RMS(OBS, PRED)" CB 58 1.709 1
106 1 18 1 "RMS(OBS, PRED)" H 60 0.555 1
107 1 18 1 "RMS(OBS, PRED)" HA 69 0.354 1
108 1 18 1 "RMS(OBS, PRED)" N 60 3.138 1
109 1 19 1 "RMS(OBS, PRED)" C 56 1.174 1
110 1 19 1 "RMS(OBS, PRED)" CA 64 1.108 1
111 1 19 1 "RMS(OBS, PRED)" CB 58 2.136 1
112 1 19 1 "RMS(OBS, PRED)" H 60 0.599 1
113 1 19 1 "RMS(OBS, PRED)" HA 69 0.396 1
114 1 19 1 "RMS(OBS, PRED)" N 60 2.756 1
115 1 20 1 "RMS(OBS, PRED)" C 56 1.044 1
116 1 20 1 "RMS(OBS, PRED)" CA 64 1.119 1
117 1 20 1 "RMS(OBS, PRED)" CB 58 2.023 1
118 1 20 1 "RMS(OBS, PRED)" H 60 0.530 1
119 1 20 1 "RMS(OBS, PRED)" HA 69 0.311 1
120 1 20 1 "RMS(OBS, PRED)" N 60 3.082 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 7 . 1 1 A 2 2 MET H H 2 8.334 8.419 -0.085 2
1 8 . 1 1 A 2 2 MET HA H 2 4.432 4.833 -0.402 2
1 16 . 1 1 A 2 2 MET C C 2 176.391 175.365 1.026 2
1 17 . 1 1 A 2 2 MET CA C 2 55.880 54.590 1.290 2
1 18 . 1 1 A 2 2 MET CB C 2 32.400 33.616 -1.216 2
1 21 . 1 1 A 2 2 MET N N 2 121.118 121.084 0.034 2
1 22 . 1 1 A 3 3 THR H H 3 8.177 8.562 -0.385 2
1 23 . 1 1 A 3 3 THR HA H 3 4.338 4.641 -0.303 2
1 28 . 1 1 A 3 3 THR C C 3 174.455 173.887 0.568 2
1 29 . 1 1 A 3 3 THR CA C 3 61.410 61.725 -0.315 2
1 30 . 1 1 A 3 3 THR CB C 3 69.710 69.643 0.067 2
1 32 . 1 1 A 3 3 THR N N 3 115.029 116.471 -1.442 2
1 33 . 1 1 A 4 4 ALA H H 4 8.429 8.368 0.061 2
1 34 . 1 1 A 4 4 ALA HA H 4 4.303 4.540 -0.237 2
1 38 . 1 1 A 4 4 ALA C C 4 178.127 176.851 1.276 2
1 39 . 1 1 A 4 4 ALA CA C 4 52.580 51.819 0.761 2
1 40 . 1 1 A 4 4 ALA CB C 4 19.370 19.404 -0.034 2
1 41 . 1 1 A 4 4 ALA N N 4 126.222 127.631 -1.409 2
1 42 . 1 1 A 5 5 SER H H 5 8.257 8.481 -0.224 2
1 43 . 1 1 A 5 5 SER HA H 5 4.352 4.739 -0.387 2
1 46 . 1 1 A 5 5 SER C C 5 174.687 173.459 1.228 2
1 47 . 1 1 A 5 5 SER CA C 5 58.790 58.050 0.740 2
1 48 . 1 1 A 5 5 SER CB C 5 63.720 63.916 -0.196 2
1 49 . 1 1 A 5 5 SER N N 5 114.762 117.845 -3.083 2
1 50 . 1 1 A 6 6 ASP H H 6 8.186 8.467 -0.281 2
1 51 . 1 1 A 6 6 ASP HA H 6 4.547 4.785 -0.238 2
1 54 . 1 1 A 6 6 ASP C C 6 176.423 175.859 0.564 2
1 55 . 1 1 A 6 6 ASP CA C 6 54.760 53.885 0.875 2
1 56 . 1 1 A 6 6 ASP CB C 6 41.110 41.733 -0.623 2
1 57 . 1 1 A 6 6 ASP N N 6 122.104 124.459 -2.355 2
1 58 . 1 1 A 7 7 ARG H H 7 8.063 8.684 -0.621 2
1 59 . 1 1 A 7 7 ARG HA H 7 4.276 4.693 -0.417 2
1 66 . 1 1 A 7 7 ARG C C 7 176.455 175.321 1.134 2
1 67 . 1 1 A 7 7 ARG CA C 7 56.310 55.362 0.948 2
1 68 . 1 1 A 7 7 ARG CB C 7 30.470 31.507 -1.037 2
1 71 . 1 1 A 7 7 ARG N N 7 120.343 122.192 -1.849 2
1 72 . 1 1 A 8 8 LEU H H 8 8.157 8.288 -0.131 2
1 73 . 1 1 A 8 8 LEU HA H 8 4.288 4.564 -0.276 2
1 83 . 1 1 A 8 8 LEU C C 8 177.940 176.569 1.371 2
1 84 . 1 1 A 8 8 LEU CA C 8 55.630 54.327 1.303 2
1 85 . 1 1 A 8 8 LEU CB C 8 42.540 42.608 -0.068 2
1 89 . 1 1 A 8 8 LEU N N 8 122.546 122.339 0.207 2
1 90 . 1 1 A 9 9 GLY H H 9 8.290 8.510 -0.220 2
1 91 . 1 1 A 9 9 GLY HA2 H 9 3.896 4.088 -0.192 2
1 92 . 1 1 A 9 9 GLY HA3 H 9 3.896 4.088 -0.192 2
1 93 . 1 1 A 9 9 GLY C C 9 173.664 173.548 0.116 2
1 94 . 1 1 A 9 9 GLY CA C 9 45.320 45.694 -0.374 2
1 95 . 1 1 A 9 9 GLY N N 9 109.549 110.105 -0.556 2
1 96 . 1 1 A 10 10 ALA H H 10 7.980 8.319 -0.339 2
1 97 . 1 1 A 10 10 ALA HA H 10 4.276 4.545 -0.269 2
1 101 . 1 1 A 10 10 ALA C C 10 177.182 176.151 1.031 2
1 102 . 1 1 A 10 10 ALA CA C 10 52.130 51.798 0.332 2
1 103 . 1 1 A 10 10 ALA CB C 10 19.460 19.844 -0.384 2
1 104 . 1 1 A 10 10 ALA N N 10 123.266 123.884 -0.618 2
1 105 . 1 1 A 11 11 ASP H H 11 8.292 8.363 -0.071 2
1 106 . 1 1 A 11 11 ASP HA H 11 4.840 5.009 -0.169 2
1 109 . 1 1 A 11 11 ASP CA C 11 51.950 51.545 0.405 2
1 110 . 1 1 A 11 11 ASP CB C 11 41.320 41.923 -0.603 2
1 111 . 1 1 A 11 11 ASP N N 11 120.930 120.435 0.495 2
1 112 . 1 1 A 12 12 PRO HA H 12 4.450 4.632 -0.182 2
1 119 . 1 1 A 12 12 PRO C C 12 177.670 176.306 1.364 2
1 120 . 1 1 A 12 12 PRO CA C 12 63.940 62.940 1.000 2
1 121 . 1 1 A 12 12 PRO CB C 12 32.180 31.683 0.497 2
1 124 . 1 1 A 13 13 THR H H 13 8.304 8.219 0.085 2
1 125 . 1 1 A 13 13 THR HA H 13 4.234 4.503 -0.269 2
1 130 . 1 1 A 13 13 THR C C 13 175.085 173.934 1.151 2
1 131 . 1 1 A 13 13 THR CA C 13 62.770 61.785 0.985 2
1 132 . 1 1 A 13 13 THR CB C 13 69.509 69.136 0.373 2
1 134 . 1 1 A 13 13 THR N N 13 112.749 115.749 -3.000 2
1 135 . 1 1 A 14 14 GLN H H 14 7.963 8.395 -0.432 2
1 136 . 1 1 A 14 14 GLN HA H 14 4.282 4.573 -0.291 2
1 141 . 1 1 A 14 14 GLN C C 14 175.773 174.941 0.832 2
1 142 . 1 1 A 14 14 GLN CA C 14 55.770 55.436 0.334 2
1 143 . 1 1 A 14 14 GLN CB C 14 29.440 29.745 -0.305 2
1 145 . 1 1 A 14 14 GLN N N 14 121.849 125.494 -3.645 2
1 146 . 1 1 A 15 15 ALA H H 15 8.150 8.448 -0.298 2
1 147 . 1 1 A 15 15 ALA HA H 15 4.237 4.686 -0.449 2
1 151 . 1 1 A 15 15 ALA C C 15 177.587 176.666 0.921 2
1 152 . 1 1 A 15 15 ALA CA C 15 52.750 51.768 0.982 2
1 153 . 1 1 A 15 15 ALA CB C 15 19.180 20.280 -1.100 2
1 154 . 1 1 A 15 15 ALA N N 15 125.125 127.050 -1.925 2
1 155 . 1 1 A 16 16 ALA H H 16 8.234 8.369 -0.135 2
1 156 . 1 1 A 16 16 ALA HA H 16 4.291 4.539 -0.248 2
1 160 . 1 1 A 16 16 ALA C C 16 177.741 176.873 0.868 2
1 161 . 1 1 A 16 16 ALA CA C 16 52.410 51.804 0.606 2
1 162 . 1 1 A 16 16 ALA CB C 16 19.130 19.506 -0.376 2
1 163 . 1 1 A 16 16 ALA N N 16 123.189 124.010 -0.821 2
1 164 . 1 1 A 17 17 SER H H 17 8.162 8.575 -0.413 2
1 165 . 1 1 A 17 17 SER HA H 17 4.431 4.594 -0.163 2
1 168 . 1 1 A 17 17 SER CA C 17 58.160 58.728 -0.568 2
1 169 . 1 1 A 17 17 SER CB C 17 64.030 63.146 0.884 2
1 170 . 1 1 A 17 17 SER N N 17 114.762 118.693 -3.931 2
1 171 . 1 1 A 18 18 SER H H 18 8.246 8.471 -0.225 2
1 172 . 1 1 A 18 18 SER HA H 18 4.747 4.853 -0.106 2
1 173 . 1 1 A 18 18 SER CA C 18 58.640 56.028 2.612 2
1 174 . 1 1 A 18 18 SER N N 18 118.482 121.192 -2.710 2
1 175 . 1 1 A 19 19 PRO HA H 19 4.426 4.609 -0.183 2
1 182 . 1 1 A 19 19 PRO CA C 19 63.790 63.102 0.688 2
1 183 . 1 1 A 19 19 PRO CB C 19 32.220 32.418 -0.198 2
1 186 . 1 1 A 20 20 GLY H H 20 8.452 8.377 0.075 2
1 187 . 1 1 A 20 20 GLY HA2 H 20 3.938 4.056 -0.118 2
1 188 . 1 1 A 20 20 GLY HA3 H 20 3.938 4.057 -0.119 2
1 189 . 1 1 A 20 20 GLY C C 20 174.674 174.118 0.556 2
1 190 . 1 1 A 20 20 GLY CA C 20 45.330 45.586 -0.256 2
1 191 . 1 1 A 20 20 GLY N N 20 109.329 108.626 0.703 2
1 192 . 1 1 A 21 21 GLY H H 21 8.217 8.398 -0.181 2
1 193 . 1 1 A 21 21 GLY HA2 H 21 3.946 4.058 -0.112 2
1 194 . 1 1 A 21 21 GLY HA3 H 21 3.946 4.058 -0.112 2
1 195 . 1 1 A 21 21 GLY C C 21 173.555 173.023 0.532 2
1 196 . 1 1 A 21 21 GLY CA C 21 45.390 45.788 -0.398 2
1 197 . 1 1 A 21 21 GLY N N 21 108.749 108.609 0.140 2
1 198 . 1 1 A 22 22 ALA H H 22 8.147 8.170 -0.023 2
1 199 . 1 1 A 22 22 ALA HA H 22 4.866 4.899 -0.033 2
1 203 . 1 1 A 22 22 ALA C C 22 176.931 176.867 0.064 2
1 204 . 1 1 A 22 22 ALA CA C 22 51.910 50.932 0.978 2
1 205 . 1 1 A 22 22 ALA CB C 22 20.490 20.595 -0.105 2
1 206 . 1 1 A 22 22 ALA N N 22 124.041 123.727 0.314 2
1 207 . 1 1 A 23 23 ARG H H 23 8.699 8.962 -0.263 2
1 208 . 1 1 A 23 23 ARG HA H 23 4.641 4.937 -0.296 2
1 215 . 1 1 A 23 23 ARG C C 23 173.587 174.486 -0.899 2
1 216 . 1 1 A 23 23 ARG CA C 23 55.000 54.528 0.472 2
1 217 . 1 1 A 23 23 ARG CB C 23 32.420 33.248 -0.828 2
1 220 . 1 1 A 23 23 ARG N N 23 120.753 120.447 0.306 2
1 221 . 1 1 A 24 24 ALA H H 24 8.408 8.810 -0.402 2
1 222 . 1 1 A 24 24 ALA HA H 24 5.145 5.199 -0.054 2
1 226 . 1 1 A 24 24 ALA C C 24 177.092 176.692 0.400 2
1 227 . 1 1 A 24 24 ALA CA C 24 51.160 50.379 0.781 2
1 228 . 1 1 A 24 24 ALA CB C 24 21.490 20.761 0.729 2
1 229 . 1 1 A 24 24 ALA N N 24 124.606 124.290 0.316 2
1 230 . 1 1 A 25 25 VAL H H 25 8.842 8.927 -0.085 2
1 231 . 1 1 A 25 25 VAL HA H 25 4.411 4.875 -0.464 2
1 239 . 1 1 A 25 25 VAL C C 25 174.558 175.166 -0.608 2
1 240 . 1 1 A 25 25 VAL CA C 25 60.160 59.688 0.472 2
1 241 . 1 1 A 25 25 VAL CB C 25 34.450 34.271 0.179 2
1 244 . 1 1 A 25 25 VAL N N 25 120.299 118.848 1.451 2
1 245 . 1 1 A 26 26 SER H H 26 8.744 8.916 -0.172 2
1 246 . 1 1 A 26 26 SER HA H 26 4.747 5.235 -0.488 2
1 249 . 1 1 A 26 26 SER C C 26 173.304 173.800 -0.496 2
1 250 . 1 1 A 26 26 SER CA C 26 58.720 56.571 2.149 2
1 251 . 1 1 A 26 26 SER CB C 26 63.910 65.514 -1.604 2
1 252 . 1 1 A 26 26 SER N N 26 121.229 119.373 1.856 2
1 253 . 1 1 A 27 27 ILE H H 27 8.716 8.916 -0.201 2
1 254 . 1 1 A 27 27 ILE HA H 27 4.360 4.917 -0.557 2
1 264 . 1 1 A 27 27 ILE C C 27 175.478 174.461 1.017 2
1 265 . 1 1 A 27 27 ILE CA C 27 60.670 60.365 0.305 2
1 266 . 1 1 A 27 27 ILE CB C 27 39.210 40.818 -1.608 2
1 270 . 1 1 A 27 27 ILE N N 27 124.450 122.894 1.556 2
1 271 . 1 1 A 28 28 VAL H H 28 8.426 8.606 -0.180 2
1 272 . 1 1 A 28 28 VAL HA H 28 4.298 4.690 -0.392 2
1 280 . 1 1 A 28 28 VAL CA C 28 61.850 61.028 0.822 2
1 281 . 1 1 A 28 28 VAL CB C 28 32.790 32.501 0.289 2
1 284 . 1 1 A 28 28 VAL N N 28 128.723 123.928 4.795 2
1 285 . 1 1 A 29 29 GLY H H 29 8.953 8.925 0.028 2
1 286 . 1 1 A 29 29 GLY HA2 H 29 3.988 3.878 0.110 2
1 287 . 1 1 A 29 29 GLY HA3 H 29 3.725 3.878 -0.153 2
1 288 . 1 1 A 29 29 GLY C C 29 176.487 174.287 2.200 2
1 289 . 1 1 A 29 29 GLY CA C 29 47.610 47.053 0.556 2
1 290 . 1 1 A 29 29 GLY N N 29 120.095 115.474 4.621 2
1 291 . 1 1 A 30 30 ASN H H 30 8.566 8.088 0.478 2
1 292 . 1 1 A 30 30 ASN HA H 30 4.422 4.937 -0.515 2
1 297 . 1 1 A 30 30 ASN C C 30 172.841 174.391 -1.550 2
1 298 . 1 1 A 30 30 ASN CA C 30 53.100 52.431 0.669 2
1 299 . 1 1 A 30 30 ASN CB C 30 38.630 39.299 -0.669 2
1 300 . 1 1 A 30 30 ASN N N 30 120.808 118.666 2.142 2
1 302 . 1 1 A 31 31 GLN H H 31 7.713 7.377 0.336 2
1 303 . 1 1 A 31 31 GLN HA H 31 5.672 4.995 0.677 2
1 310 . 1 1 A 31 31 GLN C C 31 174.828 173.996 0.832 2
1 311 . 1 1 A 31 31 GLN CA C 31 54.730 54.418 0.312 2
1 312 . 1 1 A 31 31 GLN CB C 31 32.800 32.070 0.730 2
1 314 . 1 1 A 31 31 GLN N N 31 118.262 120.144 -1.882 2
1 316 . 1 1 A 32 32 ILE H H 32 9.113 8.775 0.338 2
1 317 . 1 1 A 32 32 ILE HA H 32 4.454 4.788 -0.334 2
1 327 . 1 1 A 32 32 ILE C C 32 173.439 172.915 0.524 2
1 328 . 1 1 A 32 32 ILE CA C 32 59.610 59.307 0.303 2
1 329 . 1 1 A 32 32 ILE CB C 32 42.350 41.529 0.821 2
1 333 . 1 1 A 32 32 ILE N N 32 124.849 124.156 0.693 2
1 334 . 1 1 A 33 33 ASP H H 33 9.066 8.753 0.313 2
1 335 . 1 1 A 33 33 ASP HA H 33 5.077 5.005 0.072 2
1 338 . 1 1 A 33 33 ASP C C 33 178.378 177.011 1.367 2
1 339 . 1 1 A 33 33 ASP CA C 33 53.460 53.569 -0.109 2
1 340 . 1 1 A 33 33 ASP CB C 33 43.180 42.883 0.297 2
1 341 . 1 1 A 33 33 ASP N N 33 127.594 128.176 -0.582 2
1 342 . 1 1 A 34 34 SER H H 34 9.524 9.146 0.378 2
1 343 . 1 1 A 34 34 SER HA H 34 3.902 4.265 -0.363 2
1 346 . 1 1 A 34 34 SER C C 34 175.876 176.769 -0.893 2
1 347 . 1 1 A 34 34 SER CA C 34 61.980 61.447 0.533 2
1 348 . 1 1 A 34 34 SER CB C 34 61.510 62.867 -1.357 2
1 349 . 1 1 A 34 34 SER N N 34 125.026 120.916 4.109 2
1 350 . 1 1 A 35 35 ARG H H 35 9.022 7.899 1.123 2
1 351 . 1 1 A 35 35 ARG HA H 35 4.235 4.170 0.065 2
1 358 . 1 1 A 35 35 ARG C C 35 178.661 178.800 -0.139 2
1 359 . 1 1 A 35 35 ARG CA C 35 58.840 59.312 -0.472 2
1 360 . 1 1 A 35 35 ARG CB C 35 29.970 29.779 0.191 2
1 363 . 1 1 A 35 35 ARG N N 35 122.601 122.322 0.279 2
1 364 . 1 1 A 36 36 GLU H H 36 7.689 7.909 -0.220 2
1 365 . 1 1 A 36 36 GLU HA H 36 4.202 4.030 0.172 2
1 370 . 1 1 A 36 36 GLU C C 36 177.285 179.228 -1.943 2
1 371 . 1 1 A 36 36 GLU CA C 36 57.340 58.888 -1.548 2
1 372 . 1 1 A 36 36 GLU CB C 36 30.910 29.352 1.558 2
1 374 . 1 1 A 36 36 GLU N N 36 115.420 119.466 -4.045 2
1 375 . 1 1 A 37 37 LEU H H 37 7.280 7.965 -0.684 2
1 376 . 1 1 A 37 37 LEU HA H 37 3.805 3.954 -0.149 2
1 386 . 1 1 A 37 37 LEU C C 37 176.410 177.941 -1.531 2
1 387 . 1 1 A 37 37 LEU CA C 37 56.790 57.499 -0.709 2
1 388 . 1 1 A 37 37 LEU CB C 37 42.510 41.951 0.559 2
1 392 . 1 1 A 37 37 LEU N N 37 117.043 119.700 -2.657 2
1 393 . 1 1 A 38 38 PHE H H 38 7.431 7.991 -0.560 2
1 394 . 1 1 A 38 38 PHE HA H 38 4.884 4.771 0.113 2
1 402 . 1 1 A 38 38 PHE C C 38 176.018 176.200 -0.182 2
1 403 . 1 1 A 38 38 PHE CA C 38 57.320 57.815 -0.495 2
1 404 . 1 1 A 38 38 PHE CB C 38 38.500 38.406 0.094 2
1 408 . 1 1 A 38 38 PHE N N 38 115.439 115.221 0.218 2
1 409 . 1 1 A 39 39 THR H H 39 7.632 7.665 -0.033 2
1 410 . 1 1 A 39 39 THR HA H 39 4.256 4.070 0.186 2
1 415 . 1 1 A 39 39 THR C C 39 175.986 175.602 0.384 2
1 416 . 1 1 A 39 39 THR CA C 39 62.630 65.056 -2.426 2
1 417 . 1 1 A 39 39 THR CB C 39 69.240 69.006 0.234 2
1 419 . 1 1 A 39 39 THR N N 39 112.395 115.175 -2.780 2
1 420 . 1 1 A 40 40 VAL H H 40 8.246 7.698 0.548 2
1 421 . 1 1 A 40 40 VAL HA H 40 4.121 4.270 -0.149 2
1 429 . 1 1 A 40 40 VAL C C 40 175.233 175.137 0.096 2
1 430 . 1 1 A 40 40 VAL CA C 40 63.340 62.882 0.458 2
1 431 . 1 1 A 40 40 VAL CB C 40 32.870 32.862 0.008 2
1 434 . 1 1 A 40 40 VAL N N 40 118.329 117.667 0.662 2
1 435 . 1 1 A 41 41 ASP H H 41 8.048 8.050 -0.002 2
1 436 . 1 1 A 41 41 ASP HA H 41 4.792 4.930 -0.138 2
1 439 . 1 1 A 41 41 ASP CA C 41 53.950 53.413 0.537 2
1 440 . 1 1 A 41 41 ASP CB C 41 43.630 42.879 0.751 2
1 441 . 1 1 A 41 41 ASP N N 41 120.465 121.038 -0.573 2
1 442 . 1 1 A 42 42 ARG H H 42 8.639 8.897 -0.258 2
1 443 . 1 1 A 42 42 ARG HA H 42 4.157 4.626 -0.469 2
1 450 . 1 1 A 42 42 ARG C C 42 173.606 175.590 -1.984 2
1 451 . 1 1 A 42 42 ARG CA C 42 56.340 56.479 -0.139 2
1 452 . 1 1 A 42 42 ARG CB C 42 29.930 31.605 -1.675 2
1 455 . 1 1 A 42 42 ARG N N 42 116.578 122.968 -6.390 2
1 456 . 1 1 A 43 43 GLU H H 43 7.452 7.853 -0.401 2
1 457 . 1 1 A 43 43 GLU HA H 43 5.413 5.327 0.086 2
1 462 . 1 1 A 43 43 GLU C C 43 174.192 174.323 -0.131 2
1 463 . 1 1 A 43 43 GLU CA C 43 55.100 55.960 -0.860 2
1 464 . 1 1 A 43 43 GLU CB C 43 34.110 33.324 0.786 2
1 466 . 1 1 A 43 43 GLU N N 43 116.369 118.581 -2.212 2
1 467 . 1 1 A 44 44 ILE H H 44 9.056 9.477 -0.421 2
1 468 . 1 1 A 44 44 ILE HA H 44 4.696 4.985 -0.289 2
1 478 . 1 1 A 44 44 ILE C C 44 173.831 174.694 -0.863 2
1 479 . 1 1 A 44 44 ILE CA C 44 58.070 59.664 -1.594 2
1 480 . 1 1 A 44 44 ILE CB C 44 41.140 41.618 -0.478 2
1 484 . 1 1 A 44 44 ILE N N 44 123.963 126.887 -2.924 2
1 485 . 1 1 A 45 45 VAL H H 45 8.740 9.014 -0.274 2
1 486 . 1 1 A 45 45 VAL HA H 45 4.850 4.888 -0.038 2
1 494 . 1 1 A 45 45 VAL C C 45 175.175 175.264 -0.089 2
1 495 . 1 1 A 45 45 VAL CA C 45 60.990 61.358 -0.368 2
1 496 . 1 1 A 45 45 VAL CB C 45 33.810 33.239 0.572 2
1 499 . 1 1 A 45 45 VAL N N 45 126.299 127.011 -0.712 2
1 500 . 1 1 A 46 46 ILE H H 46 9.367 9.264 0.103 2
1 501 . 1 1 A 46 46 ILE HA H 46 4.830 4.730 0.100 2
1 511 . 1 1 A 46 46 ILE C C 46 175.433 175.138 0.295 2
1 512 . 1 1 A 46 46 ILE CA C 46 59.350 60.531 -1.181 2
1 513 . 1 1 A 46 46 ILE CB C 46 39.410 39.576 -0.166 2
1 517 . 1 1 A 46 46 ILE N N 46 126.797 127.912 -1.115 2
1 518 . 1 1 A 47 47 ALA H H 47 9.173 8.875 0.298 2
1 519 . 1 1 A 47 47 ALA HA H 47 4.790 5.091 -0.301 2
1 523 . 1 1 A 47 47 ALA C C 47 175.394 176.737 -1.343 2
1 524 . 1 1 A 47 47 ALA CA C 47 51.500 51.619 -0.119 2
1 525 . 1 1 A 47 47 ALA CB C 47 19.020 20.472 -1.452 2
1 526 . 1 1 A 47 47 ALA N N 47 131.668 131.389 0.279 2
1 527 . 1 1 A 48 48 HIS H H 48 8.473 9.109 -0.636 2
1 528 . 1 1 A 48 48 HIS HA H 48 5.394 4.905 0.489 2
1 533 . 1 1 A 48 48 HIS C C 48 175.182 175.106 0.076 2
1 534 . 1 1 A 48 48 HIS CA C 48 54.520 55.474 -0.954 2
1 535 . 1 1 A 48 48 HIS CB C 48 33.190 32.068 1.122 2
1 538 . 1 1 A 48 48 HIS N N 48 126.144 122.780 3.364 2
1 539 . 1 1 A 49 49 GLY H H 49 8.847 8.921 -0.074 2
1 540 . 1 1 A 49 49 GLY HA2 H 49 3.795 3.615 0.180 2
1 541 . 1 1 A 49 49 GLY HA3 H 49 3.549 3.655 -0.106 2
1 542 . 1 1 A 49 49 GLY CA C 49 46.950 46.917 0.033 2
1 543 . 1 1 A 49 49 GLY N N 49 117.318 115.852 1.466 2
1 544 . 1 1 A 50 50 ASP HA H 50 4.639 4.688 -0.049 2
1 547 . 1 1 A 50 50 ASP C C 50 175.825 175.262 0.563 2
1 548 . 1 1 A 50 50 ASP CA C 50 55.070 54.530 0.540 2
1 549 . 1 1 A 50 50 ASP CB C 50 31.070 42.326 -11.256 2
1 550 . 1 1 A 51 51 ASP H H 51 8.166 7.418 0.748 2
1 551 . 1 1 A 51 51 ASP HA H 51 4.810 4.808 0.002 2
1 554 . 1 1 A 51 51 ASP C C 51 176.635 175.058 1.577 2
1 555 . 1 1 A 51 51 ASP CA C 51 53.950 53.458 0.492 2
1 556 . 1 1 A 51 51 ASP CB C 51 43.250 42.758 0.492 2
1 557 . 1 1 A 51 51 ASP N N 51 120.310 120.064 0.246 2
1 558 . 1 1 A 52 52 ARG H H 52 8.784 8.397 0.387 2
1 559 . 1 1 A 52 52 ARG HA H 52 4.970 5.218 -0.248 2
1 566 . 1 1 A 52 52 ARG C C 52 174.757 174.625 0.132 2
1 567 . 1 1 A 52 52 ARG CA C 52 54.250 54.616 -0.366 2
1 568 . 1 1 A 52 52 ARG CB C 52 31.440 33.226 -1.786 2
1 571 . 1 1 A 52 52 ARG N N 52 123.348 122.199 1.149 2
1 572 . 1 1 A 53 53 TYR H H 53 8.850 9.496 -0.646 2
1 573 . 1 1 A 53 53 TYR HA H 53 4.806 5.225 -0.419 2
1 580 . 1 1 A 53 53 TYR C C 53 174.989 175.321 -0.333 2
1 581 . 1 1 A 53 53 TYR CA C 53 56.850 56.993 -0.143 2
1 582 . 1 1 A 53 53 TYR CB C 53 41.480 42.156 -0.676 2
1 585 . 1 1 A 53 53 TYR N N 53 122.391 122.991 -0.600 2
1 586 . 1 1 A 54 54 ARG H H 54 9.387 9.064 0.323 2
1 587 . 1 1 A 54 54 ARG HA H 54 4.936 5.295 -0.359 2
1 594 . 1 1 A 54 54 ARG C C 54 174.076 174.492 -0.416 2
1 595 . 1 1 A 54 54 ARG CA C 54 55.100 54.852 0.248 2
1 596 . 1 1 A 54 54 ARG CB C 54 31.750 32.600 -0.850 2
1 599 . 1 1 A 54 54 ARG N N 54 120.797 120.765 0.032 2
1 600 . 1 1 A 55 55 LEU H H 55 9.271 9.073 0.198 2
1 601 . 1 1 A 55 55 LEU HA H 55 5.237 5.102 0.135 2
1 611 . 1 1 A 55 55 LEU C C 55 174.841 175.486 -0.645 2
1 612 . 1 1 A 55 55 LEU CA C 55 53.590 54.387 -0.797 2
1 613 . 1 1 A 55 55 LEU CB C 55 43.470 43.604 -0.134 2
1 617 . 1 1 A 55 55 LEU N N 55 128.735 127.774 0.961 2
1 618 . 1 1 A 56 56 ARG H H 56 9.000 9.181 -0.181 2
1 619 . 1 1 A 56 56 ARG HA H 56 5.110 5.170 -0.060 2
1 626 . 1 1 A 56 56 ARG C C 56 173.413 173.627 -0.214 2
1 627 . 1 1 A 56 56 ARG CA C 56 54.440 54.415 0.025 2
1 628 . 1 1 A 56 56 ARG CB C 56 34.540 33.663 0.877 2
1 631 . 1 1 A 56 56 ARG N N 56 125.280 128.556 -3.276 2
1 632 . 1 1 A 57 57 LEU H H 57 7.631 8.694 -1.063 2
1 633 . 1 1 A 57 57 LEU HA H 57 4.667 4.771 -0.104 2
1 643 . 1 1 A 57 57 LEU C C 57 177.709 176.447 1.262 2
1 644 . 1 1 A 57 57 LEU CA C 57 52.710 53.046 -0.336 2
1 645 . 1 1 A 57 57 LEU CB C 57 42.480 44.211 -1.731 2
1 649 . 1 1 A 57 57 LEU N N 57 122.967 127.717 -4.750 2
1 650 . 1 1 A 58 58 THR H H 58 9.001 8.806 0.195 2
1 651 . 1 1 A 58 58 THR HA H 58 4.508 4.629 -0.121 2
1 656 . 1 1 A 58 58 THR CA C 58 60.440 60.344 0.096 2
1 657 . 1 1 A 58 58 THR CB C 58 71.960 71.408 0.552 2
1 659 . 1 1 A 58 58 THR N N 58 116.533 115.871 0.662 2
1 660 . 1 1 A 60 60 GLN HA H 60 4.433 4.353 0.080 2
1 665 . 1 1 A 60 60 GLN C C 60 174.738 176.543 -1.805 2
1 666 . 1 1 A 60 60 GLN CA C 60 55.280 56.455 -1.175 2
1 667 . 1 1 A 60 60 GLN CB C 60 28.190 29.873 -1.683 2
1 669 . 1 1 A 61 61 ASN H H 61 8.333 8.281 0.052 2
1 670 . 1 1 A 61 61 ASN HA H 61 4.262 4.549 -0.287 2
1 675 . 1 1 A 61 61 ASN C C 61 174.725 175.250 -0.525 2
1 676 . 1 1 A 61 61 ASN CA C 61 54.130 55.647 -1.517 2
1 677 . 1 1 A 61 61 ASN CB C 61 37.560 38.894 -1.334 2
1 678 . 1 1 A 61 61 ASN N N 61 116.480 117.973 -1.493 2
1 680 . 1 1 A 62 62 LYS H H 62 7.111 7.864 -0.752 2
1 681 . 1 1 A 62 62 LYS HA H 62 4.520 4.629 -0.109 2
1 690 . 1 1 A 62 62 LYS C C 62 174.057 174.019 0.038 2
1 691 . 1 1 A 62 62 LYS CA C 62 53.930 54.904 -0.974 2
1 692 . 1 1 A 62 62 LYS CB C 62 34.060 34.227 -0.167 2
1 696 . 1 1 A 62 62 LYS N N 62 116.535 113.717 2.818 2
1 697 . 1 1 A 63 63 LEU H H 63 6.706 8.518 -1.812 2
1 698 . 1 1 A 63 63 LEU HA H 63 5.093 5.292 -0.199 2
1 708 . 1 1 A 63 63 LEU C C 63 175.503 175.092 0.411 2
1 709 . 1 1 A 63 63 LEU CA C 63 53.330 52.718 0.612 2
1 710 . 1 1 A 63 63 LEU CB C 63 43.280 46.287 -3.007 2
1 714 . 1 1 A 63 63 LEU N N 63 119.236 114.211 5.025 2
1 715 . 1 1 A 64 64 ILE H H 64 8.471 8.881 -0.410 2
1 716 . 1 1 A 64 64 ILE HA H 64 4.429 4.982 -0.553 2
1 726 . 1 1 A 64 64 ILE C C 64 172.642 173.654 -1.012 2
1 727 . 1 1 A 64 64 ILE CA C 64 59.520 58.909 0.611 2
1 728 . 1 1 A 64 64 ILE CB C 64 42.740 42.299 0.441 2
1 732 . 1 1 A 64 64 ILE N N 64 116.258 114.272 1.986 2
1 733 . 1 1 A 65 65 LEU H H 65 8.429 8.855 -0.426 2
1 734 . 1 1 A 65 65 LEU HA H 65 5.543 5.312 0.231 2
1 744 . 1 1 A 65 65 LEU C C 65 176.050 174.807 1.243 2
1 745 . 1 1 A 65 65 LEU CA C 65 53.230 53.465 -0.235 2
1 746 . 1 1 A 65 65 LEU CB C 65 46.610 44.970 1.640 2
1 750 . 1 1 A 65 65 LEU N N 65 125.259 124.284 0.975 2
1 751 . 1 1 A 66 66 THR H H 66 9.302 8.883 0.419 2
1 752 . 1 1 A 66 66 THR HA H 66 4.905 4.943 -0.038 2
1 757 . 1 1 A 66 66 THR C C 66 172.436 172.295 0.141 2
1 758 . 1 1 A 66 66 THR CA C 66 59.850 60.170 -0.320 2
1 759 . 1 1 A 66 66 THR CB C 66 71.650 70.489 1.161 2
1 761 . 1 1 A 66 66 THR N N 66 121.417 119.100 2.317 2
stop_
save_