data_16313_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16313
_Entry.PDB_ID 2KJ6
_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 1 . 1 1 1 A 10 10 HIS HA H 10 4.439 5.031 -0.592 1
1 4 . 1 1 1 A 10 10 HIS CA C 10 55.740 54.065 1.675 1
1 5 . 1 1 1 A 10 10 HIS CB C 10 32.490 31.773 0.717 1
1 6 . 1 1 1 A 11 11 GLY H H 11 8.463 9.051 -0.588 1
1 7 . 1 1 1 A 11 11 GLY HA2 H 11 3.930 3.827 0.103 1
1 8 . 1 1 1 A 11 11 GLY HA3 H 11 3.989 3.839 0.150 1
1 9 . 1 1 1 A 11 11 GLY C C 11 173.720 173.378 0.342 1
1 10 . 1 1 1 A 11 11 GLY CA C 11 45.450 47.336 -1.886 1
1 11 . 1 1 1 A 11 11 GLY N N 11 110.200 111.170 -0.970 1
1 12 . 1 1 1 A 12 12 ASP H H 12 8.174 8.948 -0.774 1
1 13 . 1 1 1 A 12 12 ASP HA H 12 4.656 4.845 -0.189 1
1 16 . 1 1 1 A 12 12 ASP C C 12 174.950 175.087 -0.137 1
1 17 . 1 1 1 A 12 12 ASP CA C 12 54.140 54.005 0.135 1
1 18 . 1 1 1 A 12 12 ASP CB C 12 41.370 41.937 -0.567 1
1 19 . 1 1 1 A 12 12 ASP N N 12 120.300 124.229 -3.929 1
1 20 . 1 1 1 A 13 13 ASP H H 13 8.405 8.767 -0.362 1
1 21 . 1 1 1 A 13 13 ASP HA H 13 4.630 5.003 -0.373 1
1 24 . 1 1 1 A 13 13 ASP C C 13 176.040 174.905 1.135 1
1 25 . 1 1 1 A 13 13 ASP CA C 13 53.910 53.023 0.887 1
1 26 . 1 1 1 A 13 13 ASP CB C 13 40.840 41.314 -0.474 1
1 27 . 1 1 1 A 13 13 ASP N N 13 121.700 124.539 -2.839 1
1 28 . 1 1 1 A 14 14 SER H H 14 8.120 8.464 -0.344 1
1 29 . 1 1 1 A 14 14 SER HA H 14 4.570 5.156 -0.586 1
1 32 . 1 1 1 A 14 14 SER C C 14 173.350 173.532 -0.182 1
1 33 . 1 1 1 A 14 14 SER CA C 14 59.250 57.606 1.644 1
1 34 . 1 1 1 A 14 14 SER CB C 14 64.956 66.884 -1.928 1
1 35 . 1 1 1 A 14 14 SER N N 14 114.400 121.297 -6.897 1
1 36 . 1 1 1 A 15 15 VAL H H 15 8.859 8.818 0.041 1
1 37 . 1 1 1 A 15 15 VAL HA H 15 4.754 4.718 0.036 1
1 45 . 1 1 1 A 15 15 VAL C C 15 174.290 175.299 -1.009 1
1 46 . 1 1 1 A 15 15 VAL CA C 15 59.546 59.998 -0.452 1
1 47 . 1 1 1 A 15 15 VAL CB C 15 34.830 33.625 1.205 1
1 50 . 1 1 1 A 15 15 VAL N N 15 118.659 120.057 -1.398 1
1 51 . 1 1 1 A 16 16 HIS H H 16 9.376 8.943 0.433 1
1 52 . 1 1 1 A 16 16 HIS HA H 16 5.030 4.903 0.127 1
1 56 . 1 1 1 A 16 16 HIS C C 16 173.700 174.766 -1.066 1
1 57 . 1 1 1 A 16 16 HIS CA C 16 54.914 54.899 0.015 1
1 58 . 1 1 1 A 16 16 HIS CB C 16 30.300 28.290 2.010 1
1 60 . 1 1 1 A 16 16 HIS N N 16 126.974 121.087 5.887 1
1 61 . 1 1 1 A 17 17 LEU H H 17 8.888 8.086 0.802 1
1 62 . 1 1 1 A 17 17 LEU HA H 17 5.100 4.687 0.413 1
1 72 . 1 1 1 A 17 17 LEU C C 17 175.750 176.431 -0.681 1
1 73 . 1 1 1 A 17 17 LEU CA C 17 53.160 55.624 -2.464 1
1 74 . 1 1 1 A 17 17 LEU CB C 17 44.890 41.814 3.076 1
1 78 . 1 1 1 A 17 17 LEU N N 17 126.426 124.661 1.765 1
1 79 . 1 1 1 A 18 18 HIS H H 18 8.610 9.000 -0.390 1
1 80 . 1 1 1 A 18 18 HIS HA H 18 5.191 4.885 0.306 1
1 84 . 1 1 1 A 18 18 HIS C C 18 174.120 174.454 -0.334 1
1 85 . 1 1 1 A 18 18 HIS CA C 18 55.120 55.740 -0.620 1
1 86 . 1 1 1 A 18 18 HIS CB C 18 31.000 28.688 2.312 1
1 88 . 1 1 1 A 18 18 HIS N N 18 120.309 124.322 -4.013 1
1 89 . 1 1 1 A 19 19 ILE H H 19 9.050 9.081 -0.031 1
1 90 . 1 1 1 A 19 19 ILE HA H 19 5.704 4.584 1.120 1
1 100 . 1 1 1 A 19 19 ILE C C 19 175.890 175.596 0.294 1
1 101 . 1 1 1 A 19 19 ILE CA C 19 60.250 61.495 -1.245 1
1 102 . 1 1 1 A 19 19 ILE CB C 19 40.500 37.400 3.100 1
1 106 . 1 1 1 A 19 19 ILE N N 19 123.672 125.248 -1.576 1
1 107 . 1 1 1 A 20 20 THR H H 20 9.224 9.604 -0.380 1
1 108 . 1 1 1 A 20 20 THR HA H 20 4.970 5.728 -0.758 1
1 110 . 1 1 1 A 20 20 THR C C 20 172.920 173.094 -0.174 1
1 111 . 1 1 1 A 20 20 THR CA C 20 60.960 61.278 -0.318 1
1 112 . 1 1 1 A 20 20 THR CB C 20 71.732 70.907 0.825 1
1 114 . 1 1 1 A 20 20 THR N N 20 117.905 119.937 -2.032 1
1 115 . 1 1 1 A 21 21 HIS H H 21 9.755 9.174 0.581 1
1 116 . 1 1 1 A 21 21 HIS HA H 21 5.053 4.713 0.340 1
1 121 . 1 1 1 A 21 21 HIS C C 21 175.830 176.786 -0.956 1
1 122 . 1 1 1 A 21 21 HIS CA C 21 55.561 55.554 0.007 1
1 123 . 1 1 1 A 21 21 HIS CB C 21 36.450 30.487 5.963 1
1 126 . 1 1 1 A 21 21 HIS N N 21 122.170 126.847 -4.677 1
1 127 . 1 1 1 A 22 22 ALA H H 22 9.098 8.583 0.515 1
1 128 . 1 1 1 A 22 22 ALA HA H 22 4.116 3.960 0.156 1
1 132 . 1 1 1 A 22 22 ALA C C 22 178.340 178.983 -0.643 1
1 133 . 1 1 1 A 22 22 ALA CA C 22 54.670 54.270 0.400 1
1 134 . 1 1 1 A 22 22 ALA CB C 22 20.870 18.338 2.532 1
1 135 . 1 1 1 A 22 22 ALA N N 22 128.332 129.740 -1.408 1
1 136 . 1 1 1 A 23 23 ASN H H 23 10.395 7.524 2.871 1
1 137 . 1 1 1 A 23 23 ASN HA H 23 5.066 4.587 0.479 1
1 142 . 1 1 1 A 23 23 ASN C C 23 175.090 175.231 -0.141 1
1 143 . 1 1 1 A 23 23 ASN CA C 23 53.649 55.275 -1.626 1
1 144 . 1 1 1 A 23 23 ASN CB C 23 41.160 38.447 2.713 1
1 145 . 1 1 1 A 23 23 ASN N N 23 116.400 114.313 2.087 1
1 147 . 1 1 1 A 24 24 LEU H H 24 7.752 8.052 -0.300 1
1 148 . 1 1 1 A 24 24 LEU HA H 24 4.637 4.740 -0.103 1
1 157 . 1 1 1 A 24 24 LEU C C 24 176.810 177.226 -0.416 1
1 158 . 1 1 1 A 24 24 LEU CA C 24 53.380 53.341 0.039 1
1 159 . 1 1 1 A 24 24 LEU CB C 24 41.630 44.148 -2.518 1
1 162 . 1 1 1 A 24 24 LEU N N 24 122.870 119.116 3.754 1
1 163 . 1 1 1 A 25 25 LYS H H 25 8.491 8.892 -0.401 1
1 164 . 1 1 1 A 25 25 LYS HA H 25 4.196 4.146 0.050 1
1 171 . 1 1 1 A 25 25 LYS C C 25 177.530 176.159 1.371 1
1 172 . 1 1 1 A 25 25 LYS CA C 25 59.270 58.556 0.714 1
1 173 . 1 1 1 A 25 25 LYS CB C 25 32.300 33.191 -0.891 1
1 177 . 1 1 1 A 25 25 LYS N N 25 124.310 123.556 0.754 1
1 178 . 1 1 1 A 26 26 SER H H 26 8.512 7.992 0.520 1
1 179 . 1 1 1 A 26 26 SER HA H 26 4.513 4.947 -0.434 1
1 182 . 1 1 1 A 26 26 SER C C 26 174.090 172.548 1.542 1
1 183 . 1 1 1 A 26 26 SER CA C 26 58.200 57.038 1.162 1
1 184 . 1 1 1 A 26 26 SER CB C 26 63.487 64.461 -0.974 1
1 185 . 1 1 1 A 26 26 SER N N 26 111.482 113.212 -1.730 1
1 186 . 1 1 1 A 27 27 PHE H H 27 7.723 9.341 -1.618 1
1 187 . 1 1 1 A 27 27 PHE HA H 27 4.463 5.028 -0.565 1
1 194 . 1 1 1 A 27 27 PHE C C 27 175.270 174.244 1.026 1
1 195 . 1 1 1 A 27 27 PHE CA C 27 59.290 56.168 3.122 1
1 196 . 1 1 1 A 27 27 PHE CB C 27 40.440 39.784 0.656 1
1 201 . 1 1 1 A 27 27 PHE N N 27 123.451 131.177 -7.726 1
1 202 . 1 1 1 A 28 28 SER H H 28 7.702 8.594 -0.892 1
1 203 . 1 1 1 A 28 28 SER HA H 28 4.630 4.776 -0.146 1
1 206 . 1 1 1 A 28 28 SER C C 28 172.060 172.917 -0.857 1
1 207 . 1 1 1 A 28 28 SER CA C 28 57.700 57.304 0.396 1
1 208 . 1 1 1 A 28 28 SER CB C 28 64.600 62.446 2.154 1
1 209 . 1 1 1 A 28 28 SER N N 28 123.039 120.557 2.482 1
1 210 . 1 1 1 A 29 29 ALA H H 29 8.154 8.135 0.019 1
1 211 . 1 1 1 A 29 29 ALA HA H 29 4.655 4.562 0.093 1
1 215 . 1 1 1 A 29 29 ALA C C 29 174.090 175.640 -1.550 1
1 216 . 1 1 1 A 29 29 ALA CA C 29 51.300 50.175 1.125 1
1 217 . 1 1 1 A 29 29 ALA CB C 29 22.900 19.208 3.692 1
1 218 . 1 1 1 A 29 29 ALA N N 29 124.700 128.187 -3.487 1
1 219 . 1 1 1 A 30 30 ASP H H 30 8.395 8.579 -0.184 1
1 220 . 1 1 1 A 30 30 ASP HA H 30 5.532 5.479 0.053 1
1 223 . 1 1 1 A 30 30 ASP C C 30 174.320 174.800 -0.480 1
1 224 . 1 1 1 A 30 30 ASP CA C 30 53.870 53.132 0.738 1
1 225 . 1 1 1 A 30 30 ASP CB C 30 44.420 40.079 4.341 1
1 226 . 1 1 1 A 30 30 ASP N N 30 117.900 122.070 -4.170 1
1 227 . 1 1 1 A 31 31 ALA H H 31 8.866 8.128 0.738 1
1 228 . 1 1 1 A 31 31 ALA HA H 31 4.554 4.702 -0.148 1
1 232 . 1 1 1 A 31 31 ALA C C 31 174.240 176.395 -2.155 1
1 233 . 1 1 1 A 31 31 ALA CA C 31 51.710 50.861 0.849 1
1 234 . 1 1 1 A 31 31 ALA CB C 31 22.710 19.658 3.052 1
1 235 . 1 1 1 A 31 31 ALA N N 31 121.463 127.370 -5.907 1
1 236 . 1 1 1 A 32 32 ARG H H 32 8.056 8.278 -0.222 1
1 237 . 1 1 1 A 32 32 ARG HA H 32 5.232 4.496 0.736 1
1 244 . 1 1 1 A 32 32 ARG C C 32 175.610 175.696 -0.086 1
1 245 . 1 1 1 A 32 32 ARG CA C 32 54.780 56.002 -1.222 1
1 246 . 1 1 1 A 32 32 ARG CB C 32 31.840 30.286 1.554 1
1 249 . 1 1 1 A 32 32 ARG N N 32 119.065 121.460 -2.395 1
1 250 . 1 1 1 A 33 33 PHE H H 33 8.787 8.616 0.171 1
1 251 . 1 1 1 A 33 33 PHE HA H 33 4.900 4.903 -0.003 1
1 258 . 1 1 1 A 33 33 PHE C C 33 175.050 174.600 0.450 1
1 259 . 1 1 1 A 33 33 PHE CA C 33 55.790 56.472 -0.682 1
1 260 . 1 1 1 A 33 33 PHE CB C 33 43.300 42.270 1.030 1
1 265 . 1 1 1 A 33 33 PHE N N 33 119.356 121.908 -2.552 1
1 266 . 1 1 1 A 34 34 SER H H 34 8.361 8.734 -0.373 1
1 267 . 1 1 1 A 34 34 SER HA H 34 4.910 4.685 0.225 1
1 268 . 1 1 1 A 34 34 SER CA C 34 55.270 55.835 -0.565 1
1 269 . 1 1 1 A 34 34 SER CB C 34 64.310 64.142 0.168 1
1 270 . 1 1 1 A 34 34 SER N N 34 118.000 118.442 -0.442 1
1 271 . 1 1 1 A 35 35 PRO HA H 35 4.183 4.546 -0.363 1
1 278 . 1 1 1 A 35 35 PRO C C 35 176.460 176.819 -0.359 1
1 279 . 1 1 1 A 35 35 PRO CA C 35 64.120 64.070 0.050 1
1 280 . 1 1 1 A 35 35 PRO CB C 35 32.140 31.834 0.306 1
1 283 . 1 1 1 A 36 36 GLN H H 36 8.013 8.291 -0.278 1
1 284 . 1 1 1 A 36 36 GLN HA H 36 4.278 4.453 -0.175 1
1 291 . 1 1 1 A 36 36 GLN C C 36 176.630 175.813 0.817 1
1 292 . 1 1 1 A 36 36 GLN CA C 36 56.600 55.923 0.677 1
1 293 . 1 1 1 A 36 36 GLN CB C 36 29.380 29.325 0.055 1
1 295 . 1 1 1 A 36 36 GLN N N 36 114.700 117.972 -3.272 1
1 297 . 1 1 1 A 37 37 MET H H 37 7.628 7.508 0.120 1
1 298 . 1 1 1 A 37 37 MET HA H 37 4.314 4.638 -0.324 1
1 303 . 1 1 1 A 37 37 MET C C 37 174.480 175.776 -1.296 1
1 304 . 1 1 1 A 37 37 MET CA C 37 56.260 54.825 1.435 1
1 305 . 1 1 1 A 37 37 MET CB C 37 34.890 34.458 0.432 1
1 307 . 1 1 1 A 37 37 MET N N 37 120.895 122.352 -1.457 1
1 308 . 1 1 1 A 38 38 SER H H 38 8.740 8.769 -0.029 1
1 309 . 1 1 1 A 38 38 SER HA H 38 4.650 4.850 -0.200 1
1 312 . 1 1 1 A 38 38 SER C C 38 175.320 176.039 -0.719 1
1 313 . 1 1 1 A 38 38 SER CA C 38 57.555 56.607 0.948 1
1 314 . 1 1 1 A 38 38 SER CB C 38 64.800 65.933 -1.133 1
1 315 . 1 1 1 A 38 38 SER N N 38 119.800 118.194 1.606 1
1 316 . 1 1 1 A 39 39 VAL H H 39 8.619 8.753 -0.134 1
1 317 . 1 1 1 A 39 39 VAL HA H 39 3.405 3.564 -0.159 1
1 325 . 1 1 1 A 39 39 VAL C C 39 177.950 177.730 0.220 1
1 326 . 1 1 1 A 39 39 VAL CA C 39 68.010 66.261 1.749 1
1 327 . 1 1 1 A 39 39 VAL CB C 39 31.830 31.399 0.431 1
1 330 . 1 1 1 A 39 39 VAL N N 39 122.324 121.503 0.821 1
1 331 . 1 1 1 A 40 40 GLU H H 40 8.737 8.108 0.629 1
1 332 . 1 1 1 A 40 40 GLU HA H 40 3.743 3.850 -0.107 1
1 337 . 1 1 1 A 40 40 GLU C C 40 177.450 178.513 -1.063 1
1 338 . 1 1 1 A 40 40 GLU CA C 40 60.570 59.584 0.986 1
1 339 . 1 1 1 A 40 40 GLU CB C 40 30.000 29.378 0.622 1
1 341 . 1 1 1 A 40 40 GLU N N 40 120.358 120.337 0.021 1
1 342 . 1 1 1 A 41 41 ALA H H 41 8.056 7.392 0.664 1
1 343 . 1 1 1 A 41 41 ALA HA H 41 4.275 4.078 0.197 1
1 347 . 1 1 1 A 41 41 ALA C C 41 181.560 179.405 2.155 1
1 348 . 1 1 1 A 41 41 ALA CA C 41 55.080 55.042 0.038 1
1 349 . 1 1 1 A 41 41 ALA CB C 41 18.570 18.436 0.134 1
1 350 . 1 1 1 A 41 41 ALA N N 41 123.045 122.257 0.788 1
1 351 . 1 1 1 A 42 42 VAL H H 42 8.519 7.596 0.923 1
1 352 . 1 1 1 A 42 42 VAL HA H 42 3.456 3.819 -0.363 1
1 360 . 1 1 1 A 42 42 VAL C C 42 177.950 177.578 0.372 1
1 361 . 1 1 1 A 42 42 VAL CA C 42 67.440 64.994 2.446 1
1 362 . 1 1 1 A 42 42 VAL CB C 42 31.370 31.251 0.119 1
1 365 . 1 1 1 A 42 42 VAL N N 42 122.576 116.947 5.629 1
1 366 . 1 1 1 A 43 43 LYS H H 43 8.660 7.608 1.052 1
1 367 . 1 1 1 A 43 43 LYS HA H 43 3.905 3.919 -0.014 1
1 374 . 1 1 1 A 43 43 LYS C C 43 178.490 179.553 -1.063 1
1 375 . 1 1 1 A 43 43 LYS CA C 43 61.080 59.853 1.227 1
1 376 . 1 1 1 A 43 43 LYS CB C 43 33.450 32.325 1.125 1
1 380 . 1 1 1 A 43 43 LYS N N 43 118.752 122.467 -3.715 1
1 381 . 1 1 1 A 44 44 GLU H H 44 8.109 7.857 0.252 1
1 382 . 1 1 1 A 44 44 GLU HA H 44 4.100 4.240 -0.140 1
1 387 . 1 1 1 A 44 44 GLU C C 44 178.760 179.478 -0.718 1
1 388 . 1 1 1 A 44 44 GLU CA C 44 60.560 59.516 1.044 1
1 389 . 1 1 1 A 44 44 GLU CB C 44 29.700 29.064 0.636 1
1 391 . 1 1 1 A 44 44 GLU N N 44 118.904 119.478 -0.574 1
1 392 . 1 1 1 A 45 45 LYS H H 45 7.868 7.918 -0.050 1
1 393 . 1 1 1 A 45 45 LYS HA H 45 4.147 4.152 -0.005 1
1 400 . 1 1 1 A 45 45 LYS C C 45 180.020 178.916 1.104 1
1 401 . 1 1 1 A 45 45 LYS CA C 45 59.210 59.184 0.026 1
1 402 . 1 1 1 A 45 45 LYS CB C 45 32.540 32.050 0.490 1
1 406 . 1 1 1 A 45 45 LYS N N 45 118.353 121.164 -2.811 1
1 407 . 1 1 1 A 46 46 LEU H H 46 8.538 7.527 1.011 1
1 408 . 1 1 1 A 46 46 LEU HA H 46 4.147 4.205 -0.058 1
1 418 . 1 1 1 A 46 46 LEU C C 46 179.950 179.090 0.860 1
1 419 . 1 1 1 A 46 46 LEU CA C 46 57.900 56.747 1.153 1
1 420 . 1 1 1 A 46 46 LEU CB C 46 40.800 41.738 -0.938 1
1 424 . 1 1 1 A 46 46 LEU N N 46 118.568 119.228 -0.660 1
1 425 . 1 1 1 A 47 47 TRP H H 47 9.308 8.404 0.904 1
1 426 . 1 1 1 A 47 47 TRP HA H 47 4.636 4.075 0.561 1
1 435 . 1 1 1 A 47 47 TRP C C 47 179.040 178.536 0.504 1
1 436 . 1 1 1 A 47 47 TRP CA C 47 60.312 60.486 -0.174 1
1 437 . 1 1 1 A 47 47 TRP CB C 47 28.080 29.755 -1.675 1
1 443 . 1 1 1 A 47 47 TRP N N 47 127.808 120.947 6.861 1
1 445 . 1 1 1 A 48 48 LYS H H 48 7.362 8.729 -1.367 1
1 446 . 1 1 1 A 48 48 LYS HA H 48 3.238 3.801 -0.563 1
1 453 . 1 1 1 A 48 48 LYS C C 48 177.660 178.627 -0.967 1
1 454 . 1 1 1 A 48 48 LYS CA C 48 58.360 58.671 -0.311 1
1 455 . 1 1 1 A 48 48 LYS CB C 48 32.090 31.713 0.377 1
1 459 . 1 1 1 A 48 48 LYS N N 48 118.583 118.568 0.015 1
1 460 . 1 1 1 A 49 49 LYS H H 49 7.339 7.867 -0.528 1
1 461 . 1 1 1 A 49 49 LYS HA H 49 4.388 4.033 0.355 1
1 468 . 1 1 1 A 49 49 LYS C C 49 177.120 178.480 -1.360 1
1 469 . 1 1 1 A 49 49 LYS CA C 49 57.469 59.093 -1.624 1
1 470 . 1 1 1 A 49 49 LYS CB C 49 33.990 32.708 1.282 1
1 474 . 1 1 1 A 49 49 LYS N N 49 114.530 119.370 -4.840 1
1 475 . 1 1 1 A 50 50 CYS H H 50 8.092 8.122 -0.030 1
1 476 . 1 1 1 A 50 50 CYS HA H 50 4.880 4.419 0.461 1
1 479 . 1 1 1 A 50 50 CYS C C 50 174.560 175.480 -0.920 1
1 480 . 1 1 1 A 50 50 CYS CA C 50 57.213 59.441 -2.228 1
1 481 . 1 1 1 A 50 50 CYS CB C 50 31.470 28.494 2.976 1
1 482 . 1 1 1 A 50 50 CYS N N 50 110.536 115.175 -4.639 1
1 483 . 1 1 1 A 51 51 GLY H H 51 8.644 8.542 0.102 1
1 484 . 1 1 1 A 51 51 GLY HA2 H 51 4.248 3.546 0.702 1
1 485 . 1 1 1 A 51 51 GLY HA3 H 51 3.650 3.769 -0.119 1
1 486 . 1 1 1 A 51 51 GLY C C 51 173.800 173.539 0.261 1
1 487 . 1 1 1 A 51 51 GLY CA C 51 46.390 46.412 -0.022 1
1 488 . 1 1 1 A 51 51 GLY N N 51 113.666 109.547 4.119 1
1 489 . 1 1 1 A 52 52 THR H H 52 7.781 7.613 0.168 1
1 490 . 1 1 1 A 52 52 THR HA H 52 4.277 4.895 -0.618 1
1 495 . 1 1 1 A 52 52 THR C C 52 172.080 172.624 -0.544 1
1 496 . 1 1 1 A 52 52 THR CA C 52 63.630 60.177 3.453 1
1 497 . 1 1 1 A 52 52 THR CB C 52 69.720 71.163 -1.443 1
1 499 . 1 1 1 A 52 52 THR N N 52 121.643 113.253 8.390 1
1 500 . 1 1 1 A 53 53 SER H H 53 8.606 8.591 0.015 1
1 501 . 1 1 1 A 53 53 SER HA H 53 3.775 5.186 -1.411 1
1 504 . 1 1 1 A 53 53 SER C C 53 175.890 175.316 0.574 1
1 505 . 1 1 1 A 53 53 SER CA C 53 58.590 56.880 1.710 1
1 506 . 1 1 1 A 53 53 SER CB C 53 63.620 64.402 -0.782 1
1 507 . 1 1 1 A 53 53 SER N N 53 120.903 119.634 1.269 1
1 508 . 1 1 1 A 54 54 VAL H H 54 7.895 8.569 -0.674 1
1 509 . 1 1 1 A 54 54 VAL HA H 54 3.563 4.336 -0.773 1
1 517 . 1 1 1 A 54 54 VAL C C 54 178.260 176.485 1.775 1
1 518 . 1 1 1 A 54 54 VAL CA C 54 66.600 61.093 5.507 1
1 519 . 1 1 1 A 54 54 VAL CB C 54 31.630 31.735 -0.105 1
1 522 . 1 1 1 A 54 54 VAL N N 54 121.121 121.195 -0.074 1
1 523 . 1 1 1 A 55 55 ASN H H 55 8.148 7.950 0.198 1
1 524 . 1 1 1 A 55 55 ASN HA H 55 4.496 4.572 -0.076 1
1 529 . 1 1 1 A 55 55 ASN C C 55 175.640 177.192 -1.552 1
1 530 . 1 1 1 A 55 55 ASN CA C 55 54.875 55.798 -0.923 1
1 531 . 1 1 1 A 55 55 ASN CB C 55 38.120 38.631 -0.511 1
1 532 . 1 1 1 A 55 55 ASN N N 55 115.018 120.899 -5.881 1
1 534 . 1 1 1 A 56 56 SER H H 56 7.559 7.732 -0.173 1
1 535 . 1 1 1 A 56 56 SER HA H 56 4.585 4.447 0.138 1
1 538 . 1 1 1 A 56 56 SER C C 56 171.180 173.781 -2.601 1
1 539 . 1 1 1 A 56 56 SER CA C 56 57.260 59.102 -1.842 1
1 540 . 1 1 1 A 56 56 SER CB C 56 64.260 63.825 0.435 1
1 541 . 1 1 1 A 56 56 SER N N 56 114.545 111.257 3.288 1
1 542 . 1 1 1 A 57 57 MET H H 57 7.177 7.628 -0.451 1
1 543 . 1 1 1 A 57 57 MET HA H 57 4.785 4.901 -0.116 1
1 548 . 1 1 1 A 57 57 MET C C 57 175.400 174.314 1.086 1
1 549 . 1 1 1 A 57 57 MET CA C 57 55.631 53.840 1.791 1
1 550 . 1 1 1 A 57 57 MET CB C 57 36.740 33.439 3.301 1
1 552 . 1 1 1 A 57 57 MET N N 57 120.883 122.345 -1.462 1
1 553 . 1 1 1 A 58 58 ALA H H 58 9.226 9.031 0.195 1
1 554 . 1 1 1 A 58 58 ALA HA H 58 4.723 4.830 -0.107 1
1 558 . 1 1 1 A 58 58 ALA C C 58 175.360 176.897 -1.537 1
1 559 . 1 1 1 A 58 58 ALA CA C 58 50.327 51.330 -1.003 1
1 560 . 1 1 1 A 58 58 ALA CB C 58 21.580 20.831 0.749 1
1 561 . 1 1 1 A 58 58 ALA N N 58 129.559 129.576 -0.017 1
1 562 . 1 1 1 A 59 59 LEU H H 59 8.307 8.989 -0.682 1
1 563 . 1 1 1 A 59 59 LEU HA H 59 5.393 4.750 0.643 1
1 573 . 1 1 1 A 59 59 LEU C C 59 175.470 175.522 -0.052 1
1 574 . 1 1 1 A 59 59 LEU CA C 59 52.970 53.719 -0.749 1
1 575 . 1 1 1 A 59 59 LEU CB C 59 47.410 42.223 5.187 1
1 579 . 1 1 1 A 59 59 LEU N N 59 118.793 121.365 -2.572 1
1 580 . 1 1 1 A 60 60 GLU H H 60 8.978 8.469 0.509 1
1 581 . 1 1 1 A 60 60 GLU HA H 60 4.789 4.377 0.412 1
1 586 . 1 1 1 A 60 60 GLU C C 60 173.670 174.608 -0.938 1
1 587 . 1 1 1 A 60 60 GLU CA C 60 54.246 55.560 -1.314 1
1 588 . 1 1 1 A 60 60 GLU CB C 60 35.470 28.876 6.594 1
1 590 . 1 1 1 A 60 60 GLU N N 60 121.100 124.444 -3.344 1
1 591 . 1 1 1 A 61 61 LEU H H 61 8.651 8.240 0.411 1
1 592 . 1 1 1 A 61 61 LEU HA H 61 5.541 4.773 0.768 1
1 602 . 1 1 1 A 61 61 LEU C C 61 174.270 174.537 -0.267 1
1 603 . 1 1 1 A 61 61 LEU CA C 61 53.120 53.994 -0.874 1
1 604 . 1 1 1 A 61 61 LEU CB C 61 46.890 42.789 4.101 1
1 608 . 1 1 1 A 61 61 LEU N N 61 122.689 127.827 -5.138 1
1 609 . 1 1 1 A 62 62 TYR H H 62 10.028 9.334 0.694 1
1 610 . 1 1 1 A 62 62 TYR HA H 62 5.096 5.268 -0.172 1
1 617 . 1 1 1 A 62 62 TYR C C 62 175.180 175.112 0.068 1
1 618 . 1 1 1 A 62 62 TYR CA C 62 56.520 57.444 -0.924 1
1 619 . 1 1 1 A 62 62 TYR CB C 62 42.520 40.986 1.534 1
1 624 . 1 1 1 A 62 62 TYR N N 62 126.875 127.334 -0.459 1
1 625 . 1 1 1 A 63 63 ASP H H 63 8.573 8.374 0.199 1
1 626 . 1 1 1 A 63 63 ASP HA H 63 2.824 4.829 -2.005 1
1 629 . 1 1 1 A 63 63 ASP C C 63 176.470 176.311 0.159 1
1 630 . 1 1 1 A 63 63 ASP CA C 63 51.490 51.677 -0.187 1
1 631 . 1 1 1 A 63 63 ASP CB C 63 41.490 42.017 -0.527 1
1 632 . 1 1 1 A 63 63 ASP N N 63 118.563 121.151 -2.588 1
1 633 . 1 1 1 A 64 64 ASP H H 64 8.319 8.742 -0.423 1
1 634 . 1 1 1 A 64 64 ASP HA H 64 4.396 4.401 -0.005 1
1 637 . 1 1 1 A 64 64 ASP C C 64 176.670 178.174 -1.504 1
1 638 . 1 1 1 A 64 64 ASP CA C 64 55.270 56.702 -1.432 1
1 639 . 1 1 1 A 64 64 ASP CB C 64 39.540 40.530 -0.990 1
1 640 . 1 1 1 A 64 64 ASP N N 64 114.728 118.731 -4.003 1
1 641 . 1 1 1 A 65 65 SER H H 65 8.305 7.856 0.449 1
1 642 . 1 1 1 A 65 65 SER HA H 65 4.640 4.359 0.281 1
1 645 . 1 1 1 A 65 65 SER C C 65 174.700 174.513 0.187 1
1 646 . 1 1 1 A 65 65 SER CA C 65 58.550 59.574 -1.024 1
1 647 . 1 1 1 A 65 65 SER CB C 65 64.393 63.762 0.631 1
1 648 . 1 1 1 A 65 65 SER N N 65 115.837 112.578 3.259 1
1 649 . 1 1 1 A 66 66 GLY H H 66 7.876 8.264 -0.388 1
1 650 . 1 1 1 A 66 66 GLY HA2 H 66 4.284 3.981 0.303 1
1 651 . 1 1 1 A 66 66 GLY HA3 H 66 3.679 4.000 -0.321 1
1 652 . 1 1 1 A 66 66 GLY C C 66 174.550 173.795 0.755 1
1 653 . 1 1 1 A 66 66 GLY CA C 66 45.570 45.118 0.452 1
1 654 . 1 1 1 A 66 66 GLY N N 66 109.151 108.927 0.224 1
1 655 . 1 1 1 A 67 67 SER H H 67 8.416 8.443 -0.027 1
1 656 . 1 1 1 A 67 67 SER HA H 67 4.583 4.949 -0.366 1
1 659 . 1 1 1 A 67 67 SER C C 67 173.680 173.463 0.217 1
1 660 . 1 1 1 A 67 67 SER CA C 67 58.070 57.666 0.404 1
1 661 . 1 1 1 A 67 67 SER CB C 67 63.300 66.213 -2.913 1
1 662 . 1 1 1 A 67 67 SER N N 67 119.156 115.110 4.046 1
1 663 . 1 1 1 A 68 68 LYS H H 68 8.880 8.529 0.351 1
1 664 . 1 1 1 A 68 68 LYS HA H 68 3.233 4.947 -1.714 1
1 671 . 1 1 1 A 68 68 LYS C C 68 176.440 177.113 -0.673 1
1 672 . 1 1 1 A 68 68 LYS CA C 68 57.920 55.773 2.147 1
1 673 . 1 1 1 A 68 68 LYS CB C 68 31.822 32.554 -0.732 1
1 677 . 1 1 1 A 68 68 LYS N N 68 128.005 122.257 5.748 1
1 678 . 1 1 1 A 69 69 VAL H H 69 9.215 8.533 0.682 1
1 679 . 1 1 1 A 69 69 VAL HA H 69 4.185 4.198 -0.013 1
1 687 . 1 1 1 A 69 69 VAL C C 69 176.170 176.124 0.046 1
1 688 . 1 1 1 A 69 69 VAL CA C 69 62.860 62.759 0.101 1
1 689 . 1 1 1 A 69 69 VAL CB C 69 33.660 31.930 1.730 1
1 692 . 1 1 1 A 69 69 VAL N N 69 126.574 120.170 6.404 1
1 693 . 1 1 1 A 70 70 ALA H H 70 7.647 7.437 0.210 1
1 694 . 1 1 1 A 70 70 ALA HA H 70 4.614 4.063 0.551 1
1 698 . 1 1 1 A 70 70 ALA C C 70 175.170 177.663 -2.493 1
1 699 . 1 1 1 A 70 70 ALA CA C 70 52.400 52.071 0.329 1
1 700 . 1 1 1 A 70 70 ALA CB C 70 23.350 18.879 4.471 1
1 701 . 1 1 1 A 70 70 ALA N N 70 118.268 125.876 -7.608 1
1 702 . 1 1 1 A 71 71 VAL H H 71 8.428 8.631 -0.203 1
1 703 . 1 1 1 A 71 71 VAL HA H 71 4.216 4.293 -0.077 1
1 711 . 1 1 1 A 71 71 VAL C C 71 175.810 175.708 0.102 1
1 712 . 1 1 1 A 71 71 VAL CA C 71 62.380 61.492 0.888 1
1 713 . 1 1 1 A 71 71 VAL CB C 71 33.120 32.379 0.741 1
1 716 . 1 1 1 A 71 71 VAL N N 71 119.624 126.443 -6.819 1
1 717 . 1 1 1 A 72 72 LEU H H 72 8.333 7.815 0.518 1
1 718 . 1 1 1 A 72 72 LEU HA H 72 3.882 3.958 -0.076 1
1 728 . 1 1 1 A 72 72 LEU C C 72 176.580 176.285 0.295 1
1 729 . 1 1 1 A 72 72 LEU CA C 72 54.600 56.665 -2.065 1
1 730 . 1 1 1 A 72 72 LEU CB C 72 37.880 40.042 -2.162 1
1 734 . 1 1 1 A 72 72 LEU N N 72 130.241 121.293 8.948 1
1 735 . 1 1 1 A 73 73 SER H H 73 7.865 7.931 -0.066 1
1 736 . 1 1 1 A 73 73 SER HA H 73 4.304 4.318 -0.014 1
1 739 . 1 1 1 A 73 73 SER C C 73 173.470 174.804 -1.334 1
1 740 . 1 1 1 A 73 73 SER CA C 73 59.400 60.340 -0.940 1
1 741 . 1 1 1 A 73 73 SER CB C 73 64.230 63.471 0.759 1
1 742 . 1 1 1 A 73 73 SER N N 73 116.577 115.094 1.483 1
1 743 . 1 1 1 A 74 74 ASP H H 74 7.553 8.495 -0.942 1
1 744 . 1 1 1 A 74 74 ASP HA H 74 4.858 4.208 0.650 1
1 747 . 1 1 1 A 74 74 ASP C C 74 175.910 177.173 -1.263 1
1 748 . 1 1 1 A 74 74 ASP CA C 74 53.057 54.812 -1.755 1
1 749 . 1 1 1 A 74 74 ASP CB C 74 41.720 39.214 2.506 1
1 750 . 1 1 1 A 74 74 ASP N N 74 120.482 119.335 1.147 1
1 751 . 1 1 1 A 75 75 ASP H H 75 8.601 8.626 -0.025 1
1 752 . 1 1 1 A 75 75 ASP HA H 75 4.375 4.360 0.015 1
1 755 . 1 1 1 A 75 75 ASP C C 75 176.590 176.599 -0.009 1
1 756 . 1 1 1 A 75 75 ASP CA C 75 56.760 56.077 0.683 1
1 757 . 1 1 1 A 75 75 ASP CB C 75 41.310 39.496 1.814 1
1 758 . 1 1 1 A 75 75 ASP N N 75 125.434 121.244 4.190 1
1 759 . 1 1 1 A 76 76 SER H H 76 8.558 7.896 0.662 1
1 760 . 1 1 1 A 76 76 SER HA H 76 4.463 4.627 -0.164 1
1 763 . 1 1 1 A 76 76 SER C C 76 175.630 173.385 2.245 1
1 764 . 1 1 1 A 76 76 SER CA C 76 59.320 57.206 2.114 1
1 765 . 1 1 1 A 76 76 SER CB C 76 64.255 64.034 0.221 1
1 766 . 1 1 1 A 76 76 SER N N 76 112.502 108.619 3.883 1
1 767 . 1 1 1 A 77 77 ARG H H 77 7.381 7.328 0.053 1
1 768 . 1 1 1 A 77 77 ARG HA H 77 4.318 4.842 -0.524 1
1 775 . 1 1 1 A 77 77 ARG CA C 77 53.260 52.486 0.774 1
1 776 . 1 1 1 A 77 77 ARG CB C 77 30.880 31.678 -0.798 1
1 779 . 1 1 1 A 77 77 ARG N N 77 123.368 121.193 2.175 1
1 780 . 1 1 1 A 78 78 PRO HA H 78 4.697 4.606 0.091 1
1 787 . 1 1 1 A 78 78 PRO C C 78 178.090 178.154 -0.064 1
1 788 . 1 1 1 A 78 78 PRO CA C 78 61.970 63.348 -1.378 1
1 789 . 1 1 1 A 78 78 PRO CB C 78 31.380 31.783 -0.403 1
1 792 . 1 1 1 A 79 79 LEU H H 79 9.260 8.161 1.099 1
1 793 . 1 1 1 A 79 79 LEU HA H 79 4.099 4.002 0.097 1
1 803 . 1 1 1 A 79 79 LEU C C 79 178.680 179.417 -0.737 1
1 804 . 1 1 1 A 79 79 LEU CA C 79 58.290 57.873 0.417 1
1 805 . 1 1 1 A 79 79 LEU CB C 79 42.160 41.590 0.570 1
1 809 . 1 1 1 A 79 79 LEU N N 79 124.739 123.779 0.960 1
1 810 . 1 1 1 A 80 80 GLY H H 80 9.611 8.446 1.165 1
1 811 . 1 1 1 A 80 80 GLY HA2 H 80 4.003 4.107 -0.104 1
1 812 . 1 1 1 A 80 80 GLY HA3 H 80 3.683 4.155 -0.472 1
1 813 . 1 1 1 A 80 80 GLY C C 80 175.850 174.868 0.982 1
1 814 . 1 1 1 A 80 80 GLY CA C 80 46.830 46.125 0.705 1
1 815 . 1 1 1 A 80 80 GLY N N 80 102.276 106.305 -4.029 1
1 816 . 1 1 1 A 81 81 PHE H H 81 8.177 8.183 -0.006 1
1 817 . 1 1 1 A 81 81 PHE HA H 81 4.090 4.547 -0.457 1
1 822 . 1 1 1 A 81 81 PHE C C 81 175.810 177.785 -1.975 1
1 823 . 1 1 1 A 81 81 PHE CA C 81 60.560 60.147 0.413 1
1 824 . 1 1 1 A 81 81 PHE CB C 81 39.640 40.050 -0.410 1
1 827 . 1 1 1 A 81 81 PHE N N 81 123.413 121.037 2.376 1
1 828 . 1 1 1 A 82 82 PHE H H 82 7.733 7.950 -0.217 1
1 829 . 1 1 1 A 82 82 PHE HA H 82 4.171 4.372 -0.201 1
1 834 . 1 1 1 A 82 82 PHE C C 82 172.960 174.400 -1.440 1
1 835 . 1 1 1 A 82 82 PHE CA C 82 57.730 60.428 -2.698 1
1 836 . 1 1 1 A 82 82 PHE CB C 82 38.670 40.574 -1.904 1
1 839 . 1 1 1 A 82 82 PHE N N 82 114.781 120.074 -5.293 1
1 840 . 1 1 1 A 83 83 SER H H 83 7.541 8.036 -0.495 1
1 841 . 1 1 1 A 83 83 SER HA H 83 3.898 5.158 -1.260 1
1 844 . 1 1 1 A 83 83 SER CA C 83 57.980 55.756 2.224 1
1 845 . 1 1 1 A 83 83 SER CB C 83 61.882 65.734 -3.852 1
1 846 . 1 1 1 A 83 83 SER N N 83 108.622 111.710 -3.088 1
1 847 . 1 1 1 A 85 85 PHE HA H 85 4.447 4.753 -0.306 1
1 854 . 1 1 1 A 85 85 PHE C C 85 173.640 175.247 -1.607 1
1 855 . 1 1 1 A 85 85 PHE CA C 85 55.600 55.980 -0.380 1
1 856 . 1 1 1 A 85 85 PHE CB C 85 42.180 41.833 0.347 1
1 861 . 1 1 1 A 86 86 ASP H H 86 8.469 9.028 -0.559 1
1 862 . 1 1 1 A 86 86 ASP HA H 86 4.934 4.470 0.464 1
1 865 . 1 1 1 A 86 86 ASP C C 86 177.910 176.304 1.606 1
1 866 . 1 1 1 A 86 86 ASP CA C 86 55.927 56.792 -0.865 1
1 867 . 1 1 1 A 86 86 ASP CB C 86 41.109 41.366 -0.257 1
1 868 . 1 1 1 A 86 86 ASP N N 86 119.276 123.163 -3.887 1
1 869 . 1 1 1 A 87 87 GLY H H 87 9.163 7.436 1.727 1
1 870 . 1 1 1 A 87 87 GLY HA2 H 87 4.570 4.192 0.378 1
1 871 . 1 1 1 A 87 87 GLY HA3 H 87 3.701 4.230 -0.529 1
1 872 . 1 1 1 A 87 87 GLY C C 87 175.180 171.882 3.298 1
1 873 . 1 1 1 A 87 87 GLY CA C 87 45.540 45.581 -0.041 1
1 874 . 1 1 1 A 87 87 GLY N N 87 109.579 105.477 4.102 1
1 875 . 1 1 1 A 88 88 PHE H H 88 8.270 9.230 -0.960 1
1 876 . 1 1 1 A 88 88 PHE HA H 88 4.653 4.726 -0.073 1
1 883 . 1 1 1 A 88 88 PHE C C 88 172.620 175.916 -3.296 1
1 884 . 1 1 1 A 88 88 PHE CA C 88 57.570 58.065 -0.495 1
1 885 . 1 1 1 A 88 88 PHE CB C 88 38.750 40.505 -1.755 1
1 890 . 1 1 1 A 88 88 PHE N N 88 121.300 122.748 -1.448 1
1 891 . 1 1 1 A 89 89 ARG H H 89 9.056 8.550 0.506 1
1 892 . 1 1 1 A 89 89 ARG HA H 89 5.652 4.774 0.878 1
1 899 . 1 1 1 A 89 89 ARG C C 89 174.990 175.130 -0.140 1
1 900 . 1 1 1 A 89 89 ARG CA C 89 54.067 55.701 -1.634 1
1 901 . 1 1 1 A 89 89 ARG CB C 89 35.630 30.612 5.018 1
1 904 . 1 1 1 A 89 89 ARG N N 89 120.200 122.020 -1.820 1
1 905 . 1 1 1 A 90 90 LEU H H 90 9.487 9.253 0.234 1
1 906 . 1 1 1 A 90 90 LEU HA H 90 5.244 4.869 0.375 1
1 916 . 1 1 1 A 90 90 LEU C C 90 173.050 175.056 -2.006 1
1 917 . 1 1 1 A 90 90 LEU CA C 90 53.250 53.872 -0.622 1
1 918 . 1 1 1 A 90 90 LEU CB C 90 44.870 41.935 2.935 1
1 922 . 1 1 1 A 90 90 LEU N N 90 128.373 126.915 1.458 1
1 923 . 1 1 1 A 91 91 HIS H H 91 9.474 8.988 0.486 1
1 924 . 1 1 1 A 91 91 HIS HA H 91 5.357 5.417 -0.060 1
1 929 . 1 1 1 A 91 91 HIS C C 91 173.870 173.534 0.336 1
1 930 . 1 1 1 A 91 91 HIS CA C 91 54.320 54.221 0.099 1
1 931 . 1 1 1 A 91 91 HIS CB C 91 36.070 31.140 4.930 1
1 934 . 1 1 1 A 91 91 HIS N N 91 125.565 125.346 0.219 1
1 935 . 1 1 1 A 92 92 ILE H H 92 8.341 8.840 -0.499 1
1 936 . 1 1 1 A 92 92 ILE HA H 92 4.045 4.201 -0.156 1
1 946 . 1 1 1 A 92 92 ILE C C 92 173.350 175.403 -2.053 1
1 947 . 1 1 1 A 92 92 ILE CA C 92 61.380 61.642 -0.262 1
1 948 . 1 1 1 A 92 92 ILE CB C 92 40.040 37.644 2.396 1
1 952 . 1 1 1 A 92 92 ILE N N 92 126.939 128.868 -1.929 1
1 953 . 1 1 1 A 93 93 ILE H H 93 8.754 9.020 -0.266 1
1 954 . 1 1 1 A 93 93 ILE HA H 93 3.744 4.308 -0.564 1
1 964 . 1 1 1 A 93 93 ILE C C 93 174.450 174.058 0.392 1
1 965 . 1 1 1 A 93 93 ILE CA C 93 60.480 61.112 -0.632 1
1 966 . 1 1 1 A 93 93 ILE CB C 93 41.250 36.541 4.709 1
1 970 . 1 1 1 A 93 93 ILE N N 93 126.486 128.927 -2.441 1
1 971 . 1 1 1 A 94 94 ASP H H 94 7.976 8.501 -0.525 1
1 972 . 1 1 1 A 94 94 ASP HA H 94 4.881 4.752 0.129 1
1 975 . 1 1 1 A 94 94 ASP C C 94 176.710 176.510 0.200 1
1 976 . 1 1 1 A 94 94 ASP CA C 94 52.170 52.877 -0.707 1
1 977 . 1 1 1 A 94 94 ASP CB C 94 42.000 40.057 1.943 1
1 978 . 1 1 1 A 94 94 ASP N N 94 124.752 128.097 -3.345 1
1 979 . 1 1 1 A 95 95 LEU H H 95 9.218 8.677 0.541 1
1 980 . 1 1 1 A 95 95 LEU HA H 95 4.111 4.616 -0.505 1
1 990 . 1 1 1 A 95 95 LEU C C 95 177.230 175.962 1.268 1
1 991 . 1 1 1 A 95 95 LEU CA C 95 55.553 54.109 1.444 1
1 992 . 1 1 1 A 95 95 LEU CB C 95 42.380 41.086 1.294 1
1 996 . 1 1 1 A 95 95 LEU N N 95 126.286 126.730 -0.444 1
1 997 . 1 1 1 A 96 96 ASP H H 96 8.762 7.285 1.477 1
1 998 . 1 1 1 A 96 96 ASP HA H 96 4.946 5.125 -0.179 1
1 1001 . 1 1 1 A 96 96 ASP CA C 96 52.598 50.757 1.841 1
1 1002 . 1 1 1 A 96 96 ASP CB C 96 41.400 41.499 -0.099 1
1 1 . 2 1 1 A 10 10 HIS HA H 10 4.439 4.809 -0.370 1
1 4 . 2 1 1 A 10 10 HIS CA C 10 55.740 55.558 0.182 1
1 5 . 2 1 1 A 10 10 HIS CB C 10 32.490 29.247 3.243 1
1 6 . 2 1 1 A 11 11 GLY H H 11 8.463 8.015 0.448 1
1 7 . 2 1 1 A 11 11 GLY HA2 H 11 3.930 3.947 -0.017 1
1 8 . 2 1 1 A 11 11 GLY HA3 H 11 3.989 4.001 -0.012 1
1 9 . 2 1 1 A 11 11 GLY C C 11 173.720 171.210 2.510 1
1 10 . 2 1 1 A 11 11 GLY CA C 11 45.450 44.587 0.863 1
1 11 . 2 1 1 A 11 11 GLY N N 11 110.200 111.687 -1.487 1
1 12 . 2 1 1 A 12 12 ASP H H 12 8.174 8.600 -0.426 1
1 13 . 2 1 1 A 12 12 ASP HA H 12 4.656 5.507 -0.851 1
1 16 . 2 1 1 A 12 12 ASP C C 12 174.950 174.115 0.835 1
1 17 . 2 1 1 A 12 12 ASP CA C 12 54.140 52.686 1.454 1
1 18 . 2 1 1 A 12 12 ASP CB C 12 41.370 44.679 -3.309 1
1 19 . 2 1 1 A 12 12 ASP N N 12 120.300 119.607 0.693 1
1 20 . 2 1 1 A 13 13 ASP H H 13 8.405 8.718 -0.313 1
1 21 . 2 1 1 A 13 13 ASP HA H 13 4.630 5.106 -0.476 1
1 24 . 2 1 1 A 13 13 ASP C C 13 176.040 174.212 1.828 1
1 25 . 2 1 1 A 13 13 ASP CA C 13 53.910 54.669 -0.759 1
1 26 . 2 1 1 A 13 13 ASP CB C 13 40.840 42.184 -1.344 1
1 27 . 2 1 1 A 13 13 ASP N N 13 121.700 121.118 0.582 1
1 28 . 2 1 1 A 14 14 SER H H 14 8.120 8.881 -0.761 1
1 29 . 2 1 1 A 14 14 SER HA H 14 4.570 5.052 -0.482 1
1 32 . 2 1 1 A 14 14 SER C C 14 173.350 173.059 0.291 1
1 33 . 2 1 1 A 14 14 SER CA C 14 59.250 57.603 1.647 1
1 34 . 2 1 1 A 14 14 SER CB C 14 64.956 66.969 -2.013 1
1 35 . 2 1 1 A 14 14 SER N N 14 114.400 120.623 -6.223 1
1 36 . 2 1 1 A 15 15 VAL H H 15 8.859 8.599 0.260 1
1 37 . 2 1 1 A 15 15 VAL HA H 15 4.754 4.780 -0.026 1
1 45 . 2 1 1 A 15 15 VAL C C 15 174.290 174.592 -0.302 1
1 46 . 2 1 1 A 15 15 VAL CA C 15 59.546 59.553 -0.007 1
1 47 . 2 1 1 A 15 15 VAL CB C 15 34.830 33.693 1.137 1
1 50 . 2 1 1 A 15 15 VAL N N 15 118.659 119.534 -0.875 1
1 51 . 2 1 1 A 16 16 HIS H H 16 9.376 8.694 0.682 1
1 52 . 2 1 1 A 16 16 HIS HA H 16 5.030 4.756 0.274 1
1 56 . 2 1 1 A 16 16 HIS C C 16 173.700 174.208 -0.508 1
1 57 . 2 1 1 A 16 16 HIS CA C 16 54.914 55.250 -0.336 1
1 58 . 2 1 1 A 16 16 HIS CB C 16 30.300 28.423 1.877 1
1 60 . 2 1 1 A 16 16 HIS N N 16 126.974 121.998 4.976 1
1 61 . 2 1 1 A 17 17 LEU H H 17 8.888 8.697 0.191 1
1 62 . 2 1 1 A 17 17 LEU HA H 17 5.100 4.647 0.453 1
1 72 . 2 1 1 A 17 17 LEU C C 17 175.750 176.098 -0.348 1
1 73 . 2 1 1 A 17 17 LEU CA C 17 53.160 54.916 -1.756 1
1 74 . 2 1 1 A 17 17 LEU CB C 17 44.890 41.501 3.389 1
1 78 . 2 1 1 A 17 17 LEU N N 17 126.426 125.362 1.064 1
1 79 . 2 1 1 A 18 18 HIS H H 18 8.610 8.899 -0.289 1
1 80 . 2 1 1 A 18 18 HIS HA H 18 5.191 4.852 0.339 1
1 84 . 2 1 1 A 18 18 HIS C C 18 174.120 174.927 -0.807 1
1 85 . 2 1 1 A 18 18 HIS CA C 18 55.120 56.289 -1.169 1
1 86 . 2 1 1 A 18 18 HIS CB C 18 31.000 29.244 1.756 1
1 88 . 2 1 1 A 18 18 HIS N N 18 120.309 124.614 -4.305 1
1 89 . 2 1 1 A 19 19 ILE H H 19 9.050 8.699 0.351 1
1 90 . 2 1 1 A 19 19 ILE HA H 19 5.704 4.621 1.083 1
1 100 . 2 1 1 A 19 19 ILE C C 19 175.890 175.597 0.293 1
1 101 . 2 1 1 A 19 19 ILE CA C 19 60.250 61.129 -0.879 1
1 102 . 2 1 1 A 19 19 ILE CB C 19 40.500 37.390 3.110 1
1 106 . 2 1 1 A 19 19 ILE N N 19 123.672 125.707 -2.035 1
1 107 . 2 1 1 A 20 20 THR H H 20 9.224 9.706 -0.482 1
1 108 . 2 1 1 A 20 20 THR HA H 20 4.970 4.955 0.015 1
1 110 . 2 1 1 A 20 20 THR C C 20 172.920 173.787 -0.867 1
1 111 . 2 1 1 A 20 20 THR CA C 20 60.960 61.996 -1.036 1
1 112 . 2 1 1 A 20 20 THR CB C 20 71.732 69.720 2.012 1
1 114 . 2 1 1 A 20 20 THR N N 20 117.905 124.726 -6.821 1
1 115 . 2 1 1 A 21 21 HIS H H 21 9.755 9.179 0.576 1
1 116 . 2 1 1 A 21 21 HIS HA H 21 5.053 4.693 0.360 1
1 121 . 2 1 1 A 21 21 HIS C C 21 175.830 176.532 -0.702 1
1 122 . 2 1 1 A 21 21 HIS CA C 21 55.561 56.178 -0.617 1
1 123 . 2 1 1 A 21 21 HIS CB C 21 36.450 30.723 5.727 1
1 126 . 2 1 1 A 21 21 HIS N N 21 122.170 127.306 -5.136 1
1 127 . 2 1 1 A 22 22 ALA H H 22 9.098 9.267 -0.169 1
1 128 . 2 1 1 A 22 22 ALA HA H 22 4.116 3.951 0.165 1
1 132 . 2 1 1 A 22 22 ALA C C 22 178.340 179.723 -1.383 1
1 133 . 2 1 1 A 22 22 ALA CA C 22 54.670 55.212 -0.542 1
1 134 . 2 1 1 A 22 22 ALA CB C 22 20.870 18.152 2.718 1
1 135 . 2 1 1 A 22 22 ALA N N 22 128.332 130.092 -1.760 1
1 136 . 2 1 1 A 23 23 ASN H H 23 10.395 7.656 2.739 1
1 137 . 2 1 1 A 23 23 ASN HA H 23 5.066 4.380 0.686 1
1 142 . 2 1 1 A 23 23 ASN C C 23 175.090 175.503 -0.413 1
1 143 . 2 1 1 A 23 23 ASN CA C 23 53.649 56.157 -2.508 1
1 144 . 2 1 1 A 23 23 ASN CB C 23 41.160 38.249 2.911 1
1 145 . 2 1 1 A 23 23 ASN N N 23 116.400 116.059 0.341 1
1 147 . 2 1 1 A 24 24 LEU H H 24 7.752 7.839 -0.087 1
1 148 . 2 1 1 A 24 24 LEU HA H 24 4.637 4.500 0.137 1
1 157 . 2 1 1 A 24 24 LEU C C 24 176.810 176.730 0.080 1
1 158 . 2 1 1 A 24 24 LEU CA C 24 53.380 54.293 -0.913 1
1 159 . 2 1 1 A 24 24 LEU CB C 24 41.630 42.842 -1.212 1
1 162 . 2 1 1 A 24 24 LEU N N 24 122.870 119.705 3.165 1
1 163 . 2 1 1 A 25 25 LYS H H 25 8.491 8.546 -0.055 1
1 164 . 2 1 1 A 25 25 LYS HA H 25 4.196 4.229 -0.033 1
1 171 . 2 1 1 A 25 25 LYS C C 25 177.530 176.850 0.680 1
1 172 . 2 1 1 A 25 25 LYS CA C 25 59.270 58.356 0.914 1
1 173 . 2 1 1 A 25 25 LYS CB C 25 32.300 31.670 0.630 1
1 177 . 2 1 1 A 25 25 LYS N N 25 124.310 122.896 1.414 1
1 178 . 2 1 1 A 26 26 SER H H 26 8.512 7.913 0.599 1
1 179 . 2 1 1 A 26 26 SER HA H 26 4.513 4.609 -0.096 1
1 182 . 2 1 1 A 26 26 SER C C 26 174.090 174.334 -0.244 1
1 183 . 2 1 1 A 26 26 SER CA C 26 58.200 58.179 0.021 1
1 184 . 2 1 1 A 26 26 SER CB C 26 63.487 63.772 -0.285 1
1 185 . 2 1 1 A 26 26 SER N N 26 111.482 115.008 -3.526 1
1 186 . 2 1 1 A 27 27 PHE H H 27 7.723 8.038 -0.315 1
1 187 . 2 1 1 A 27 27 PHE HA H 27 4.463 4.780 -0.317 1
1 194 . 2 1 1 A 27 27 PHE C C 27 175.270 175.796 -0.526 1
1 195 . 2 1 1 A 27 27 PHE CA C 27 59.290 57.444 1.846 1
1 196 . 2 1 1 A 27 27 PHE CB C 27 40.440 38.900 1.540 1
1 201 . 2 1 1 A 27 27 PHE N N 27 123.451 123.468 -0.017 1
1 202 . 2 1 1 A 28 28 SER H H 28 7.702 8.440 -0.738 1
1 203 . 2 1 1 A 28 28 SER HA H 28 4.630 4.740 -0.110 1
1 206 . 2 1 1 A 28 28 SER C C 28 172.060 174.394 -2.334 1
1 207 . 2 1 1 A 28 28 SER CA C 28 57.700 57.153 0.547 1
1 208 . 2 1 1 A 28 28 SER CB C 28 64.600 63.697 0.903 1
1 209 . 2 1 1 A 28 28 SER N N 28 123.039 121.074 1.965 1
1 210 . 2 1 1 A 29 29 ALA H H 29 8.154 6.478 1.676 1
1 211 . 2 1 1 A 29 29 ALA HA H 29 4.655 4.249 0.406 1
1 215 . 2 1 1 A 29 29 ALA C C 29 174.090 176.475 -2.385 1
1 216 . 2 1 1 A 29 29 ALA CA C 29 51.300 51.130 0.170 1
1 217 . 2 1 1 A 29 29 ALA CB C 29 22.900 19.431 3.469 1
1 218 . 2 1 1 A 29 29 ALA N N 29 124.700 124.083 0.617 1
1 219 . 2 1 1 A 30 30 ASP H H 30 8.395 8.638 -0.243 1
1 220 . 2 1 1 A 30 30 ASP HA H 30 5.532 5.340 0.192 1
1 223 . 2 1 1 A 30 30 ASP C C 30 174.320 175.590 -1.270 1
1 224 . 2 1 1 A 30 30 ASP CA C 30 53.870 53.303 0.567 1
1 225 . 2 1 1 A 30 30 ASP CB C 30 44.420 41.880 2.540 1
1 226 . 2 1 1 A 30 30 ASP N N 30 117.900 122.920 -5.020 1
1 227 . 2 1 1 A 31 31 ALA H H 31 8.866 9.029 -0.163 1
1 228 . 2 1 1 A 31 31 ALA HA H 31 4.554 5.146 -0.592 1
1 232 . 2 1 1 A 31 31 ALA C C 31 174.240 175.993 -1.753 1
1 233 . 2 1 1 A 31 31 ALA CA C 31 51.710 50.215 1.495 1
1 234 . 2 1 1 A 31 31 ALA CB C 31 22.710 22.210 0.500 1
1 235 . 2 1 1 A 31 31 ALA N N 31 121.463 122.888 -1.425 1
1 236 . 2 1 1 A 32 32 ARG H H 32 8.056 8.240 -0.184 1
1 237 . 2 1 1 A 32 32 ARG HA H 32 5.232 4.468 0.764 1
1 244 . 2 1 1 A 32 32 ARG C C 32 175.610 175.707 -0.097 1
1 245 . 2 1 1 A 32 32 ARG CA C 32 54.780 55.593 -0.813 1
1 246 . 2 1 1 A 32 32 ARG CB C 32 31.840 30.408 1.432 1
1 249 . 2 1 1 A 32 32 ARG N N 32 119.065 120.975 -1.910 1
1 250 . 2 1 1 A 33 33 PHE H H 33 8.787 8.684 0.103 1
1 251 . 2 1 1 A 33 33 PHE HA H 33 4.900 5.194 -0.294 1
1 258 . 2 1 1 A 33 33 PHE C C 33 175.050 173.899 1.151 1
1 259 . 2 1 1 A 33 33 PHE CA C 33 55.790 56.323 -0.533 1
1 260 . 2 1 1 A 33 33 PHE CB C 33 43.300 44.135 -0.835 1
1 265 . 2 1 1 A 33 33 PHE N N 33 119.356 121.690 -2.334 1
1 266 . 2 1 1 A 34 34 SER H H 34 8.361 8.803 -0.442 1
1 267 . 2 1 1 A 34 34 SER HA H 34 4.910 5.205 -0.295 1
1 268 . 2 1 1 A 34 34 SER CA C 34 55.270 55.236 0.034 1
1 269 . 2 1 1 A 34 34 SER CB C 34 64.310 64.382 -0.072 1
1 270 . 2 1 1 A 34 34 SER N N 34 118.000 115.503 2.497 1
1 271 . 2 1 1 A 35 35 PRO HA H 35 4.183 4.520 -0.337 1
1 278 . 2 1 1 A 35 35 PRO C C 35 176.460 177.922 -1.462 1
1 279 . 2 1 1 A 35 35 PRO CA C 35 64.120 64.302 -0.182 1
1 280 . 2 1 1 A 35 35 PRO CB C 35 32.140 31.735 0.405 1
1 283 . 2 1 1 A 36 36 GLN H H 36 8.013 8.616 -0.603 1
1 284 . 2 1 1 A 36 36 GLN HA H 36 4.278 4.341 -0.063 1
1 291 . 2 1 1 A 36 36 GLN C C 36 176.630 175.358 1.272 1
1 292 . 2 1 1 A 36 36 GLN CA C 36 56.600 56.826 -0.226 1
1 293 . 2 1 1 A 36 36 GLN CB C 36 29.380 28.916 0.464 1
1 295 . 2 1 1 A 36 36 GLN N N 36 114.700 117.258 -2.558 1
1 297 . 2 1 1 A 37 37 MET H H 37 7.628 7.485 0.143 1
1 298 . 2 1 1 A 37 37 MET HA H 37 4.314 4.655 -0.341 1
1 303 . 2 1 1 A 37 37 MET C C 37 174.480 175.705 -1.225 1
1 304 . 2 1 1 A 37 37 MET CA C 37 56.260 54.611 1.649 1
1 305 . 2 1 1 A 37 37 MET CB C 37 34.890 34.285 0.605 1
1 307 . 2 1 1 A 37 37 MET N N 37 120.895 121.790 -0.895 1
1 308 . 2 1 1 A 38 38 SER H H 38 8.740 8.824 -0.084 1
1 309 . 2 1 1 A 38 38 SER HA H 38 4.650 5.051 -0.401 1
1 312 . 2 1 1 A 38 38 SER C C 38 175.320 176.204 -0.884 1
1 313 . 2 1 1 A 38 38 SER CA C 38 57.555 56.519 1.036 1
1 314 . 2 1 1 A 38 38 SER CB C 38 64.800 65.649 -0.849 1
1 315 . 2 1 1 A 38 38 SER N N 38 119.800 116.136 3.664 1
1 316 . 2 1 1 A 39 39 VAL H H 39 8.619 8.662 -0.043 1
1 317 . 2 1 1 A 39 39 VAL HA H 39 3.405 3.953 -0.548 1
1 325 . 2 1 1 A 39 39 VAL C C 39 177.950 177.473 0.477 1
1 326 . 2 1 1 A 39 39 VAL CA C 39 68.010 65.448 2.562 1
1 327 . 2 1 1 A 39 39 VAL CB C 39 31.830 31.128 0.702 1
1 330 . 2 1 1 A 39 39 VAL N N 39 122.324 121.708 0.616 1
1 331 . 2 1 1 A 40 40 GLU H H 40 8.737 7.749 0.988 1
1 332 . 2 1 1 A 40 40 GLU HA H 40 3.743 3.982 -0.239 1
1 337 . 2 1 1 A 40 40 GLU C C 40 177.450 178.508 -1.058 1
1 338 . 2 1 1 A 40 40 GLU CA C 40 60.570 59.403 1.167 1
1 339 . 2 1 1 A 40 40 GLU CB C 40 30.000 29.511 0.489 1
1 341 . 2 1 1 A 40 40 GLU N N 40 120.358 122.407 -2.049 1
1 342 . 2 1 1 A 41 41 ALA H H 41 8.056 8.037 0.019 1
1 343 . 2 1 1 A 41 41 ALA HA H 41 4.275 4.135 0.140 1
1 347 . 2 1 1 A 41 41 ALA C C 41 181.560 180.528 1.032 1
1 348 . 2 1 1 A 41 41 ALA CA C 41 55.080 54.825 0.255 1
1 349 . 2 1 1 A 41 41 ALA CB C 41 18.570 18.493 0.077 1
1 350 . 2 1 1 A 41 41 ALA N N 41 123.045 120.952 2.093 1
1 351 . 2 1 1 A 42 42 VAL H H 42 8.519 8.038 0.481 1
1 352 . 2 1 1 A 42 42 VAL HA H 42 3.456 3.862 -0.406 1
1 360 . 2 1 1 A 42 42 VAL C C 42 177.950 177.438 0.512 1
1 361 . 2 1 1 A 42 42 VAL CA C 42 67.440 64.913 2.527 1
1 362 . 2 1 1 A 42 42 VAL CB C 42 31.370 31.448 -0.078 1
1 365 . 2 1 1 A 42 42 VAL N N 42 122.576 118.077 4.499 1
1 366 . 2 1 1 A 43 43 LYS H H 43 8.660 8.021 0.639 1
1 367 . 2 1 1 A 43 43 LYS HA H 43 3.905 3.917 -0.012 1
1 374 . 2 1 1 A 43 43 LYS C C 43 178.490 179.355 -0.865 1
1 375 . 2 1 1 A 43 43 LYS CA C 43 61.080 60.390 0.690 1
1 376 . 2 1 1 A 43 43 LYS CB C 43 33.450 32.431 1.019 1
1 380 . 2 1 1 A 43 43 LYS N N 43 118.752 122.340 -3.588 1
1 381 . 2 1 1 A 44 44 GLU H H 44 8.109 8.081 0.028 1
1 382 . 2 1 1 A 44 44 GLU HA H 44 4.100 4.413 -0.313 1
1 387 . 2 1 1 A 44 44 GLU C C 44 178.760 178.743 0.017 1
1 388 . 2 1 1 A 44 44 GLU CA C 44 60.560 59.410 1.150 1
1 389 . 2 1 1 A 44 44 GLU CB C 44 29.700 29.378 0.322 1
1 391 . 2 1 1 A 44 44 GLU N N 44 118.904 119.750 -0.846 1
1 392 . 2 1 1 A 45 45 LYS H H 45 7.868 7.803 0.065 1
1 393 . 2 1 1 A 45 45 LYS HA H 45 4.147 4.143 0.004 1
1 400 . 2 1 1 A 45 45 LYS C C 45 180.020 178.917 1.103 1
1 401 . 2 1 1 A 45 45 LYS CA C 45 59.210 59.122 0.088 1
1 402 . 2 1 1 A 45 45 LYS CB C 45 32.540 32.046 0.494 1
1 406 . 2 1 1 A 45 45 LYS N N 45 118.353 119.525 -1.172 1
1 407 . 2 1 1 A 46 46 LEU H H 46 8.538 7.769 0.769 1
1 408 . 2 1 1 A 46 46 LEU HA H 46 4.147 4.234 -0.087 1
1 418 . 2 1 1 A 46 46 LEU C C 46 179.950 179.251 0.699 1
1 419 . 2 1 1 A 46 46 LEU CA C 46 57.900 56.411 1.489 1
1 420 . 2 1 1 A 46 46 LEU CB C 46 40.800 41.921 -1.121 1
1 424 . 2 1 1 A 46 46 LEU N N 46 118.568 119.157 -0.589 1
1 425 . 2 1 1 A 47 47 TRP H H 47 9.308 7.963 1.345 1
1 426 . 2 1 1 A 47 47 TRP HA H 47 4.636 4.242 0.394 1
1 435 . 2 1 1 A 47 47 TRP C C 47 179.040 178.508 0.532 1
1 436 . 2 1 1 A 47 47 TRP CA C 47 60.312 60.690 -0.378 1
1 437 . 2 1 1 A 47 47 TRP CB C 47 28.080 29.864 -1.784 1
1 443 . 2 1 1 A 47 47 TRP N N 47 127.808 121.462 6.346 1
1 445 . 2 1 1 A 48 48 LYS H H 48 7.362 8.627 -1.265 1
1 446 . 2 1 1 A 48 48 LYS HA H 48 3.238 4.002 -0.764 1
1 453 . 2 1 1 A 48 48 LYS C C 48 177.660 179.196 -1.536 1
1 454 . 2 1 1 A 48 48 LYS CA C 48 58.360 58.160 0.200 1
1 455 . 2 1 1 A 48 48 LYS CB C 48 32.090 31.961 0.129 1
1 459 . 2 1 1 A 48 48 LYS N N 48 118.583 118.773 -0.190 1
1 460 . 2 1 1 A 49 49 LYS H H 49 7.339 7.973 -0.634 1
1 461 . 2 1 1 A 49 49 LYS HA H 49 4.388 4.148 0.240 1
1 468 . 2 1 1 A 49 49 LYS C C 49 177.120 177.555 -0.435 1
1 469 . 2 1 1 A 49 49 LYS CA C 49 57.469 58.513 -1.044 1
1 470 . 2 1 1 A 49 49 LYS CB C 49 33.990 33.518 0.472 1
1 474 . 2 1 1 A 49 49 LYS N N 49 114.530 119.546 -5.016 1
1 475 . 2 1 1 A 50 50 CYS H H 50 8.092 7.838 0.254 1
1 476 . 2 1 1 A 50 50 CYS HA H 50 4.880 4.773 0.107 1
1 479 . 2 1 1 A 50 50 CYS C C 50 174.560 175.315 -0.755 1
1 480 . 2 1 1 A 50 50 CYS CA C 50 57.213 60.308 -3.095 1
1 481 . 2 1 1 A 50 50 CYS CB C 50 31.470 30.608 0.862 1
1 482 . 2 1 1 A 50 50 CYS N N 50 110.536 116.377 -5.841 1
1 483 . 2 1 1 A 51 51 GLY H H 51 8.644 8.421 0.223 1
1 484 . 2 1 1 A 51 51 GLY HA2 H 51 4.248 4.116 0.132 1
1 485 . 2 1 1 A 51 51 GLY HA3 H 51 3.650 4.193 -0.543 1
1 486 . 2 1 1 A 51 51 GLY C C 51 173.800 175.284 -1.484 1
1 487 . 2 1 1 A 51 51 GLY CA C 51 46.390 46.021 0.369 1
1 488 . 2 1 1 A 51 51 GLY N N 51 113.666 108.717 4.949 1
1 489 . 2 1 1 A 52 52 THR H H 52 7.781 7.862 -0.081 1
1 490 . 2 1 1 A 52 52 THR HA H 52 4.277 4.223 0.054 1
1 495 . 2 1 1 A 52 52 THR C C 52 172.080 174.845 -2.765 1
1 496 . 2 1 1 A 52 52 THR CA C 52 63.630 65.589 -1.959 1
1 497 . 2 1 1 A 52 52 THR CB C 52 69.720 69.081 0.639 1
1 499 . 2 1 1 A 52 52 THR N N 52 121.643 112.313 9.330 1
1 500 . 2 1 1 A 53 53 SER H H 53 8.606 8.030 0.576 1
1 501 . 2 1 1 A 53 53 SER HA H 53 3.775 4.377 -0.602 1
1 504 . 2 1 1 A 53 53 SER C C 53 175.890 173.814 2.076 1
1 505 . 2 1 1 A 53 53 SER CA C 53 58.590 58.535 0.055 1
1 506 . 2 1 1 A 53 53 SER CB C 53 63.620 62.871 0.749 1
1 507 . 2 1 1 A 53 53 SER N N 53 120.903 116.469 4.434 1
1 508 . 2 1 1 A 54 54 VAL H H 54 7.895 8.604 -0.709 1
1 509 . 2 1 1 A 54 54 VAL HA H 54 3.563 4.383 -0.820 1
1 517 . 2 1 1 A 54 54 VAL C C 54 178.260 176.651 1.609 1
1 518 . 2 1 1 A 54 54 VAL CA C 54 66.600 61.693 4.907 1
1 519 . 2 1 1 A 54 54 VAL CB C 54 31.630 32.141 -0.511 1
1 522 . 2 1 1 A 54 54 VAL N N 54 121.121 123.386 -2.265 1
1 523 . 2 1 1 A 55 55 ASN H H 55 8.148 7.879 0.269 1
1 524 . 2 1 1 A 55 55 ASN HA H 55 4.496 4.774 -0.278 1
1 529 . 2 1 1 A 55 55 ASN C C 55 175.640 176.966 -1.326 1
1 530 . 2 1 1 A 55 55 ASN CA C 55 54.875 54.773 0.102 1
1 531 . 2 1 1 A 55 55 ASN CB C 55 38.120 38.894 -0.774 1
1 532 . 2 1 1 A 55 55 ASN N N 55 115.018 119.760 -4.742 1
1 534 . 2 1 1 A 56 56 SER H H 56 7.559 7.845 -0.286 1
1 535 . 2 1 1 A 56 56 SER HA H 56 4.585 4.446 0.139 1
1 538 . 2 1 1 A 56 56 SER C C 56 171.180 174.181 -3.001 1
1 539 . 2 1 1 A 56 56 SER CA C 56 57.260 58.686 -1.426 1
1 540 . 2 1 1 A 56 56 SER CB C 56 64.260 63.545 0.715 1
1 541 . 2 1 1 A 56 56 SER N N 56 114.545 112.735 1.810 1
1 542 . 2 1 1 A 57 57 MET H H 57 7.177 7.533 -0.356 1
1 543 . 2 1 1 A 57 57 MET HA H 57 4.785 5.223 -0.438 1
1 548 . 2 1 1 A 57 57 MET C C 57 175.400 173.945 1.455 1
1 549 . 2 1 1 A 57 57 MET CA C 57 55.631 54.281 1.350 1
1 550 . 2 1 1 A 57 57 MET CB C 57 36.740 35.865 0.875 1
1 552 . 2 1 1 A 57 57 MET N N 57 120.883 118.859 2.024 1
1 553 . 2 1 1 A 58 58 ALA H H 58 9.226 9.397 -0.171 1
1 554 . 2 1 1 A 58 58 ALA HA H 58 4.723 5.303 -0.580 1
1 558 . 2 1 1 A 58 58 ALA C C 58 175.360 175.915 -0.555 1
1 559 . 2 1 1 A 58 58 ALA CA C 58 50.327 49.906 0.421 1
1 560 . 2 1 1 A 58 58 ALA CB C 58 21.580 22.447 -0.867 1
1 561 . 2 1 1 A 58 58 ALA N N 58 129.559 128.557 1.002 1
1 562 . 2 1 1 A 59 59 LEU H H 59 8.307 9.198 -0.891 1
1 563 . 2 1 1 A 59 59 LEU HA H 59 5.393 4.710 0.683 1
1 573 . 2 1 1 A 59 59 LEU C C 59 175.470 175.745 -0.275 1
1 574 . 2 1 1 A 59 59 LEU CA C 59 52.970 53.736 -0.766 1
1 575 . 2 1 1 A 59 59 LEU CB C 59 47.410 41.818 5.592 1
1 579 . 2 1 1 A 59 59 LEU N N 59 118.793 122.677 -3.884 1
1 580 . 2 1 1 A 60 60 GLU H H 60 8.978 8.521 0.457 1
1 581 . 2 1 1 A 60 60 GLU HA H 60 4.789 4.367 0.422 1
1 586 . 2 1 1 A 60 60 GLU C C 60 173.670 174.655 -0.985 1
1 587 . 2 1 1 A 60 60 GLU CA C 60 54.246 55.632 -1.386 1
1 588 . 2 1 1 A 60 60 GLU CB C 60 35.470 28.637 6.833 1
1 590 . 2 1 1 A 60 60 GLU N N 60 121.100 124.499 -3.399 1
1 591 . 2 1 1 A 61 61 LEU H H 61 8.651 8.302 0.349 1
1 592 . 2 1 1 A 61 61 LEU HA H 61 5.541 4.578 0.963 1
1 602 . 2 1 1 A 61 61 LEU C C 61 174.270 173.888 0.382 1
1 603 . 2 1 1 A 61 61 LEU CA C 61 53.120 54.025 -0.905 1
1 604 . 2 1 1 A 61 61 LEU CB C 61 46.890 42.883 4.007 1
1 608 . 2 1 1 A 61 61 LEU N N 61 122.689 127.867 -5.178 1
1 609 . 2 1 1 A 62 62 TYR H H 62 10.028 8.491 1.537 1
1 610 . 2 1 1 A 62 62 TYR HA H 62 5.096 4.977 0.119 1
1 617 . 2 1 1 A 62 62 TYR C C 62 175.180 174.798 0.382 1
1 618 . 2 1 1 A 62 62 TYR CA C 62 56.520 57.032 -0.512 1
1 619 . 2 1 1 A 62 62 TYR CB C 62 42.520 40.920 1.600 1
1 624 . 2 1 1 A 62 62 TYR N N 62 126.875 127.272 -0.397 1
1 625 . 2 1 1 A 63 63 ASP H H 63 8.573 9.056 -0.483 1
1 626 . 2 1 1 A 63 63 ASP HA H 63 2.824 4.952 -2.128 1
1 629 . 2 1 1 A 63 63 ASP C C 63 176.470 176.023 0.447 1
1 630 . 2 1 1 A 63 63 ASP CA C 63 51.490 52.931 -1.441 1
1 631 . 2 1 1 A 63 63 ASP CB C 63 41.490 40.435 1.055 1
1 632 . 2 1 1 A 63 63 ASP N N 63 118.563 124.427 -5.864 1
1 633 . 2 1 1 A 64 64 ASP H H 64 8.319 9.210 -0.891 1
1 634 . 2 1 1 A 64 64 ASP HA H 64 4.396 4.422 -0.026 1
1 637 . 2 1 1 A 64 64 ASP C C 64 176.670 175.102 1.568 1
1 638 . 2 1 1 A 64 64 ASP CA C 64 55.270 55.192 0.078 1
1 639 . 2 1 1 A 64 64 ASP CB C 64 39.540 39.648 -0.108 1
1 640 . 2 1 1 A 64 64 ASP N N 64 114.728 127.072 -12.344 1
1 641 . 2 1 1 A 65 65 SER H H 65 8.305 8.593 -0.288 1
1 642 . 2 1 1 A 65 65 SER HA H 65 4.640 4.171 0.469 1
1 645 . 2 1 1 A 65 65 SER C C 65 174.700 174.216 0.484 1
1 646 . 2 1 1 A 65 65 SER CA C 65 58.550 60.252 -1.702 1
1 647 . 2 1 1 A 65 65 SER CB C 65 64.393 61.522 2.871 1
1 648 . 2 1 1 A 65 65 SER N N 65 115.837 107.405 8.432 1
1 649 . 2 1 1 A 66 66 GLY H H 66 7.876 8.057 -0.181 1
1 650 . 2 1 1 A 66 66 GLY HA2 H 66 4.284 3.713 0.571 1
1 651 . 2 1 1 A 66 66 GLY HA3 H 66 3.679 3.747 -0.068 1
1 652 . 2 1 1 A 66 66 GLY C C 66 174.550 174.105 0.445 1
1 653 . 2 1 1 A 66 66 GLY CA C 66 45.570 46.947 -1.377 1
1 654 . 2 1 1 A 66 66 GLY N N 66 109.151 108.248 0.903 1
1 655 . 2 1 1 A 67 67 SER H H 67 8.416 7.487 0.929 1
1 656 . 2 1 1 A 67 67 SER HA H 67 4.583 4.799 -0.216 1
1 659 . 2 1 1 A 67 67 SER C C 67 173.680 173.719 -0.039 1
1 660 . 2 1 1 A 67 67 SER CA C 67 58.070 57.669 0.401 1
1 661 . 2 1 1 A 67 67 SER CB C 67 63.300 65.735 -2.435 1
1 662 . 2 1 1 A 67 67 SER N N 67 119.156 113.544 5.612 1
1 663 . 2 1 1 A 68 68 LYS H H 68 8.880 8.814 0.066 1
1 664 . 2 1 1 A 68 68 LYS HA H 68 3.233 5.305 -2.072 1
1 671 . 2 1 1 A 68 68 LYS C C 68 176.440 175.820 0.620 1
1 672 . 2 1 1 A 68 68 LYS CA C 68 57.920 54.980 2.940 1
1 673 . 2 1 1 A 68 68 LYS CB C 68 31.822 35.512 -3.690 1
1 677 . 2 1 1 A 68 68 LYS N N 68 128.005 118.910 9.095 1
1 678 . 2 1 1 A 69 69 VAL H H 69 9.215 8.628 0.587 1
1 679 . 2 1 1 A 69 69 VAL HA H 69 4.185 4.559 -0.374 1
1 687 . 2 1 1 A 69 69 VAL C C 69 176.170 175.628 0.542 1
1 688 . 2 1 1 A 69 69 VAL CA C 69 62.860 60.864 1.996 1
1 689 . 2 1 1 A 69 69 VAL CB C 69 33.660 31.794 1.866 1
1 692 . 2 1 1 A 69 69 VAL N N 69 126.574 119.117 7.457 1
1 693 . 2 1 1 A 70 70 ALA H H 70 7.647 7.701 -0.054 1
1 694 . 2 1 1 A 70 70 ALA HA H 70 4.614 4.227 0.387 1
1 698 . 2 1 1 A 70 70 ALA C C 70 175.170 177.309 -2.139 1
1 699 . 2 1 1 A 70 70 ALA CA C 70 52.400 51.609 0.791 1
1 700 . 2 1 1 A 70 70 ALA CB C 70 23.350 18.116 5.234 1
1 701 . 2 1 1 A 70 70 ALA N N 70 118.268 126.357 -8.089 1
1 702 . 2 1 1 A 71 71 VAL H H 71 8.428 8.207 0.221 1
1 703 . 2 1 1 A 71 71 VAL HA H 71 4.216 4.179 0.037 1
1 711 . 2 1 1 A 71 71 VAL C C 71 175.810 175.637 0.173 1
1 712 . 2 1 1 A 71 71 VAL CA C 71 62.380 64.434 -2.054 1
1 713 . 2 1 1 A 71 71 VAL CB C 71 33.120 33.092 0.028 1
1 716 . 2 1 1 A 71 71 VAL N N 71 119.624 124.523 -4.899 1
1 717 . 2 1 1 A 72 72 LEU H H 72 8.333 7.897 0.436 1
1 718 . 2 1 1 A 72 72 LEU HA H 72 3.882 3.846 0.036 1
1 728 . 2 1 1 A 72 72 LEU C C 72 176.580 175.904 0.676 1
1 729 . 2 1 1 A 72 72 LEU CA C 72 54.600 55.824 -1.224 1
1 730 . 2 1 1 A 72 72 LEU CB C 72 37.880 40.053 -2.173 1
1 734 . 2 1 1 A 72 72 LEU N N 72 130.241 121.765 8.476 1
1 735 . 2 1 1 A 73 73 SER H H 73 7.865 8.001 -0.136 1
1 736 . 2 1 1 A 73 73 SER HA H 73 4.304 4.772 -0.468 1
1 739 . 2 1 1 A 73 73 SER C C 73 173.470 174.856 -1.386 1
1 740 . 2 1 1 A 73 73 SER CA C 73 59.400 57.614 1.786 1
1 741 . 2 1 1 A 73 73 SER CB C 73 64.230 64.702 -0.472 1
1 742 . 2 1 1 A 73 73 SER N N 73 116.577 114.240 2.337 1
1 743 . 2 1 1 A 74 74 ASP H H 74 7.553 8.103 -0.550 1
1 744 . 2 1 1 A 74 74 ASP HA H 74 4.858 4.943 -0.085 1
1 747 . 2 1 1 A 74 74 ASP C C 74 175.910 176.643 -0.733 1
1 748 . 2 1 1 A 74 74 ASP CA C 74 53.057 53.036 0.021 1
1 749 . 2 1 1 A 74 74 ASP CB C 74 41.720 41.629 0.091 1
1 750 . 2 1 1 A 74 74 ASP N N 74 120.482 118.319 2.163 1
1 751 . 2 1 1 A 75 75 ASP H H 75 8.601 8.384 0.217 1
1 752 . 2 1 1 A 75 75 ASP HA H 75 4.375 4.451 -0.076 1
1 755 . 2 1 1 A 75 75 ASP C C 75 176.590 177.083 -0.493 1
1 756 . 2 1 1 A 75 75 ASP CA C 75 56.760 55.904 0.856 1
1 757 . 2 1 1 A 75 75 ASP CB C 75 41.310 38.967 2.343 1
1 758 . 2 1 1 A 75 75 ASP N N 75 125.434 120.668 4.766 1
1 759 . 2 1 1 A 76 76 SER H H 76 8.558 7.932 0.626 1
1 760 . 2 1 1 A 76 76 SER HA H 76 4.463 4.515 -0.052 1
1 763 . 2 1 1 A 76 76 SER C C 76 175.630 173.787 1.843 1
1 764 . 2 1 1 A 76 76 SER CA C 76 59.320 58.873 0.447 1
1 765 . 2 1 1 A 76 76 SER CB C 76 64.255 63.254 1.001 1
1 766 . 2 1 1 A 76 76 SER N N 76 112.502 113.418 -0.916 1
1 767 . 2 1 1 A 77 77 ARG H H 77 7.381 7.478 -0.097 1
1 768 . 2 1 1 A 77 77 ARG HA H 77 4.318 4.730 -0.412 1
1 775 . 2 1 1 A 77 77 ARG CA C 77 53.260 52.788 0.472 1
1 776 . 2 1 1 A 77 77 ARG CB C 77 30.880 31.446 -0.566 1
1 779 . 2 1 1 A 77 77 ARG N N 77 123.368 119.904 3.464 1
1 780 . 2 1 1 A 78 78 PRO HA H 78 4.697 4.714 -0.017 1
1 787 . 2 1 1 A 78 78 PRO C C 78 178.090 178.239 -0.149 1
1 788 . 2 1 1 A 78 78 PRO CA C 78 61.970 62.746 -0.776 1
1 789 . 2 1 1 A 78 78 PRO CB C 78 31.380 31.779 -0.399 1
1 792 . 2 1 1 A 79 79 LEU H H 79 9.260 8.600 0.660 1
1 793 . 2 1 1 A 79 79 LEU HA H 79 4.099 4.149 -0.050 1
1 803 . 2 1 1 A 79 79 LEU C C 79 178.680 179.484 -0.804 1
1 804 . 2 1 1 A 79 79 LEU CA C 79 58.290 57.813 0.477 1
1 805 . 2 1 1 A 79 79 LEU CB C 79 42.160 41.753 0.407 1
1 809 . 2 1 1 A 79 79 LEU N N 79 124.739 123.590 1.149 1
1 810 . 2 1 1 A 80 80 GLY H H 80 9.611 8.835 0.776 1
1 811 . 2 1 1 A 80 80 GLY HA2 H 80 4.003 4.010 -0.007 1
1 812 . 2 1 1 A 80 80 GLY HA3 H 80 3.683 4.017 -0.334 1
1 813 . 2 1 1 A 80 80 GLY C C 80 175.850 175.355 0.495 1
1 814 . 2 1 1 A 80 80 GLY CA C 80 46.830 46.071 0.759 1
1 815 . 2 1 1 A 80 80 GLY N N 80 102.276 106.376 -4.100 1
1 816 . 2 1 1 A 81 81 PHE H H 81 8.177 8.213 -0.036 1
1 817 . 2 1 1 A 81 81 PHE HA H 81 4.090 4.187 -0.097 1
1 822 . 2 1 1 A 81 81 PHE C C 81 175.810 177.754 -1.944 1
1 823 . 2 1 1 A 81 81 PHE CA C 81 60.560 60.902 -0.342 1
1 824 . 2 1 1 A 81 81 PHE CB C 81 39.640 39.691 -0.051 1
1 827 . 2 1 1 A 81 81 PHE N N 81 123.413 121.932 1.481 1
1 828 . 2 1 1 A 82 82 PHE H H 82 7.733 7.807 -0.074 1
1 829 . 2 1 1 A 82 82 PHE HA H 82 4.171 4.117 0.054 1
1 834 . 2 1 1 A 82 82 PHE C C 82 172.960 175.575 -2.615 1
1 835 . 2 1 1 A 82 82 PHE CA C 82 57.730 61.235 -3.505 1
1 836 . 2 1 1 A 82 82 PHE CB C 82 38.670 39.240 -0.570 1
1 839 . 2 1 1 A 82 82 PHE N N 82 114.781 120.355 -5.574 1
1 840 . 2 1 1 A 83 83 SER H H 83 7.541 8.406 -0.865 1
1 841 . 2 1 1 A 83 83 SER HA H 83 3.898 4.196 -0.298 1
1 844 . 2 1 1 A 83 83 SER CA C 83 57.980 58.944 -0.964 1
1 845 . 2 1 1 A 83 83 SER CB C 83 61.882 61.365 0.517 1
1 846 . 2 1 1 A 83 83 SER N N 83 108.622 113.674 -5.052 1
1 847 . 2 1 1 A 85 85 PHE HA H 85 4.447 4.568 -0.121 1
1 854 . 2 1 1 A 85 85 PHE C C 85 173.640 175.637 -1.997 1
1 855 . 2 1 1 A 85 85 PHE CA C 85 55.600 58.666 -3.066 1
1 856 . 2 1 1 A 85 85 PHE CB C 85 42.180 41.059 1.121 1
1 861 . 2 1 1 A 86 86 ASP H H 86 8.469 8.008 0.461 1
1 862 . 2 1 1 A 86 86 ASP HA H 86 4.934 3.929 1.005 1
1 865 . 2 1 1 A 86 86 ASP C C 86 177.910 175.807 2.103 1
1 866 . 2 1 1 A 86 86 ASP CA C 86 55.927 54.084 1.843 1
1 867 . 2 1 1 A 86 86 ASP CB C 86 41.109 40.386 0.723 1
1 868 . 2 1 1 A 86 86 ASP N N 86 119.276 119.448 -0.172 1
1 869 . 2 1 1 A 87 87 GLY H H 87 9.163 8.511 0.652 1
1 870 . 2 1 1 A 87 87 GLY HA2 H 87 4.570 3.811 0.759 1
1 871 . 2 1 1 A 87 87 GLY HA3 H 87 3.701 3.862 -0.161 1
1 872 . 2 1 1 A 87 87 GLY C C 87 175.180 174.875 0.305 1
1 873 . 2 1 1 A 87 87 GLY CA C 87 45.540 46.144 -0.604 1
1 874 . 2 1 1 A 87 87 GLY N N 87 109.579 112.511 -2.932 1
1 875 . 2 1 1 A 88 88 PHE H H 88 8.270 7.704 0.566 1
1 876 . 2 1 1 A 88 88 PHE HA H 88 4.653 4.660 -0.007 1
1 883 . 2 1 1 A 88 88 PHE C C 88 172.620 175.038 -2.418 1
1 884 . 2 1 1 A 88 88 PHE CA C 88 57.570 58.096 -0.526 1
1 885 . 2 1 1 A 88 88 PHE CB C 88 38.750 40.161 -1.411 1
1 890 . 2 1 1 A 88 88 PHE N N 88 121.300 118.491 2.809 1
1 891 . 2 1 1 A 89 89 ARG H H 89 9.056 8.440 0.616 1
1 892 . 2 1 1 A 89 89 ARG HA H 89 5.652 5.261 0.391 1
1 899 . 2 1 1 A 89 89 ARG C C 89 174.990 174.979 0.011 1
1 900 . 2 1 1 A 89 89 ARG CA C 89 54.067 54.785 -0.718 1
1 901 . 2 1 1 A 89 89 ARG CB C 89 35.630 33.983 1.647 1
1 904 . 2 1 1 A 89 89 ARG N N 89 120.200 119.797 0.403 1
1 905 . 2 1 1 A 90 90 LEU H H 90 9.487 9.943 -0.456 1
1 906 . 2 1 1 A 90 90 LEU HA H 90 5.244 4.856 0.388 1
1 916 . 2 1 1 A 90 90 LEU C C 90 173.050 175.166 -2.116 1
1 917 . 2 1 1 A 90 90 LEU CA C 90 53.250 53.641 -0.391 1
1 918 . 2 1 1 A 90 90 LEU CB C 90 44.870 42.960 1.910 1
1 922 . 2 1 1 A 90 90 LEU N N 90 128.373 124.313 4.060 1
1 923 . 2 1 1 A 91 91 HIS H H 91 9.474 8.867 0.607 1
1 924 . 2 1 1 A 91 91 HIS HA H 91 5.357 5.210 0.147 1
1 929 . 2 1 1 A 91 91 HIS C C 91 173.870 173.120 0.750 1
1 930 . 2 1 1 A 91 91 HIS CA C 91 54.320 54.332 -0.012 1
1 931 . 2 1 1 A 91 91 HIS CB C 91 36.070 30.157 5.913 1
1 934 . 2 1 1 A 91 91 HIS N N 91 125.565 124.954 0.611 1
1 935 . 2 1 1 A 92 92 ILE H H 92 8.341 8.754 -0.413 1
1 936 . 2 1 1 A 92 92 ILE HA H 92 4.045 4.357 -0.312 1
1 946 . 2 1 1 A 92 92 ILE C C 92 173.350 175.573 -2.223 1
1 947 . 2 1 1 A 92 92 ILE CA C 92 61.380 61.138 0.242 1
1 948 . 2 1 1 A 92 92 ILE CB C 92 40.040 37.694 2.346 1
1 952 . 2 1 1 A 92 92 ILE N N 92 126.939 129.086 -2.147 1
1 953 . 2 1 1 A 93 93 ILE H H 93 8.754 9.135 -0.381 1
1 954 . 2 1 1 A 93 93 ILE HA H 93 3.744 4.568 -0.824 1
1 964 . 2 1 1 A 93 93 ILE C C 93 174.450 174.486 -0.036 1
1 965 . 2 1 1 A 93 93 ILE CA C 93 60.480 60.281 0.199 1
1 966 . 2 1 1 A 93 93 ILE CB C 93 41.250 38.685 2.565 1
1 970 . 2 1 1 A 93 93 ILE N N 93 126.486 128.815 -2.329 1
1 971 . 2 1 1 A 94 94 ASP H H 94 7.976 8.631 -0.655 1
1 972 . 2 1 1 A 94 94 ASP HA H 94 4.881 4.984 -0.103 1
1 975 . 2 1 1 A 94 94 ASP C C 94 176.710 176.868 -0.158 1
1 976 . 2 1 1 A 94 94 ASP CA C 94 52.170 53.857 -1.687 1
1 977 . 2 1 1 A 94 94 ASP CB C 94 42.000 42.905 -0.905 1
1 978 . 2 1 1 A 94 94 ASP N N 94 124.752 128.329 -3.577 1
1 979 . 2 1 1 A 95 95 LEU H H 95 9.218 8.507 0.711 1
1 980 . 2 1 1 A 95 95 LEU HA H 95 4.111 4.226 -0.115 1
1 990 . 2 1 1 A 95 95 LEU C C 95 177.230 175.542 1.688 1
1 991 . 2 1 1 A 95 95 LEU CA C 95 55.553 57.166 -1.613 1
1 992 . 2 1 1 A 95 95 LEU CB C 95 42.380 42.606 -0.226 1
1 996 . 2 1 1 A 95 95 LEU N N 95 126.286 125.754 0.532 1
1 997 . 2 1 1 A 96 96 ASP H H 96 8.762 8.203 0.559 1
1 998 . 2 1 1 A 96 96 ASP HA H 96 4.946 5.068 -0.122 1
1 1001 . 2 1 1 A 96 96 ASP CA C 96 52.598 50.503 2.095 1
1 1002 . 2 1 1 A 96 96 ASP CB C 96 41.400 43.233 -1.833 1
1 1 . 3 1 1 A 10 10 HIS HA H 10 4.439 4.874 -0.435 1
1 4 . 3 1 1 A 10 10 HIS CA C 10 55.740 53.426 2.314 1
1 5 . 3 1 1 A 10 10 HIS CB C 10 32.490 30.416 2.074 1
1 6 . 3 1 1 A 11 11 GLY H H 11 8.463 8.725 -0.262 1
1 7 . 3 1 1 A 11 11 GLY HA2 H 11 3.930 3.889 0.041 1
1 8 . 3 1 1 A 11 11 GLY HA3 H 11 3.989 3.918 0.071 1
1 9 . 3 1 1 A 11 11 GLY C C 11 173.720 174.287 -0.567 1
1 10 . 3 1 1 A 11 11 GLY CA C 11 45.450 45.447 0.003 1
1 11 . 3 1 1 A 11 11 GLY N N 11 110.200 110.982 -0.782 1
1 12 . 3 1 1 A 12 12 ASP H H 12 8.174 8.984 -0.810 1
1 13 . 3 1 1 A 12 12 ASP HA H 12 4.656 4.779 -0.123 1
1 16 . 3 1 1 A 12 12 ASP C C 12 174.950 175.323 -0.373 1
1 17 . 3 1 1 A 12 12 ASP CA C 12 54.140 53.639 0.501 1
1 18 . 3 1 1 A 12 12 ASP CB C 12 41.370 41.447 -0.077 1
1 19 . 3 1 1 A 12 12 ASP N N 12 120.300 124.920 -4.620 1
1 20 . 3 1 1 A 13 13 ASP H H 13 8.405 7.749 0.656 1
1 21 . 3 1 1 A 13 13 ASP HA H 13 4.630 4.880 -0.250 1
1 24 . 3 1 1 A 13 13 ASP C C 13 176.040 175.946 0.094 1
1 25 . 3 1 1 A 13 13 ASP CA C 13 53.910 52.524 1.386 1
1 26 . 3 1 1 A 13 13 ASP CB C 13 40.840 42.852 -2.012 1
1 27 . 3 1 1 A 13 13 ASP N N 13 121.700 118.009 3.691 1
1 28 . 3 1 1 A 14 14 SER H H 14 8.120 8.488 -0.368 1
1 29 . 3 1 1 A 14 14 SER HA H 14 4.570 4.523 0.047 1
1 32 . 3 1 1 A 14 14 SER C C 14 173.350 172.832 0.518 1
1 33 . 3 1 1 A 14 14 SER CA C 14 59.250 58.237 1.013 1
1 34 . 3 1 1 A 14 14 SER CB C 14 64.956 62.399 2.557 1
1 35 . 3 1 1 A 14 14 SER N N 14 114.400 116.207 -1.807 1
1 36 . 3 1 1 A 15 15 VAL H H 15 8.859 8.836 0.023 1
1 37 . 3 1 1 A 15 15 VAL HA H 15 4.754 4.856 -0.102 1
1 45 . 3 1 1 A 15 15 VAL C C 15 174.290 174.144 0.146 1
1 46 . 3 1 1 A 15 15 VAL CA C 15 59.546 59.076 0.470 1
1 47 . 3 1 1 A 15 15 VAL CB C 15 34.830 35.180 -0.350 1
1 50 . 3 1 1 A 15 15 VAL N N 15 118.659 117.563 1.096 1
1 51 . 3 1 1 A 16 16 HIS H H 16 9.376 8.874 0.502 1
1 52 . 3 1 1 A 16 16 HIS HA H 16 5.030 5.308 -0.278 1
1 56 . 3 1 1 A 16 16 HIS C C 16 173.700 174.227 -0.527 1
1 57 . 3 1 1 A 16 16 HIS CA C 16 54.914 55.256 -0.342 1
1 58 . 3 1 1 A 16 16 HIS CB C 16 30.300 30.603 -0.303 1
1 60 . 3 1 1 A 16 16 HIS N N 16 126.974 122.692 4.282 1
1 61 . 3 1 1 A 17 17 LEU H H 17 8.888 8.952 -0.064 1
1 62 . 3 1 1 A 17 17 LEU HA H 17 5.100 5.063 0.037 1
1 72 . 3 1 1 A 17 17 LEU C C 17 175.750 175.741 0.009 1
1 73 . 3 1 1 A 17 17 LEU CA C 17 53.160 53.793 -0.633 1
1 74 . 3 1 1 A 17 17 LEU CB C 17 44.890 44.435 0.455 1
1 78 . 3 1 1 A 17 17 LEU N N 17 126.426 125.225 1.201 1
1 79 . 3 1 1 A 18 18 HIS H H 18 8.610 8.995 -0.385 1
1 80 . 3 1 1 A 18 18 HIS HA H 18 5.191 4.973 0.218 1
1 84 . 3 1 1 A 18 18 HIS C C 18 174.120 174.554 -0.434 1
1 85 . 3 1 1 A 18 18 HIS CA C 18 55.120 55.432 -0.312 1
1 86 . 3 1 1 A 18 18 HIS CB C 18 31.000 28.919 2.081 1
1 88 . 3 1 1 A 18 18 HIS N N 18 120.309 123.107 -2.798 1
1 89 . 3 1 1 A 19 19 ILE H H 19 9.050 8.940 0.110 1
1 90 . 3 1 1 A 19 19 ILE HA H 19 5.704 4.528 1.176 1
1 100 . 3 1 1 A 19 19 ILE C C 19 175.890 175.527 0.363 1
1 101 . 3 1 1 A 19 19 ILE CA C 19 60.250 61.827 -1.577 1
1 102 . 3 1 1 A 19 19 ILE CB C 19 40.500 38.247 2.253 1
1 106 . 3 1 1 A 19 19 ILE N N 19 123.672 125.168 -1.496 1
1 107 . 3 1 1 A 20 20 THR H H 20 9.224 9.407 -0.183 1
1 108 . 3 1 1 A 20 20 THR HA H 20 4.970 5.357 -0.387 1
1 110 . 3 1 1 A 20 20 THR C C 20 172.920 172.883 0.037 1
1 111 . 3 1 1 A 20 20 THR CA C 20 60.960 61.597 -0.637 1
1 112 . 3 1 1 A 20 20 THR CB C 20 71.732 72.146 -0.414 1
1 114 . 3 1 1 A 20 20 THR N N 20 117.905 123.489 -5.584 1
1 115 . 3 1 1 A 21 21 HIS H H 21 9.755 9.074 0.681 1
1 116 . 3 1 1 A 21 21 HIS HA H 21 5.053 4.714 0.339 1
1 121 . 3 1 1 A 21 21 HIS C C 21 175.830 176.361 -0.531 1
1 122 . 3 1 1 A 21 21 HIS CA C 21 55.561 56.378 -0.817 1
1 123 . 3 1 1 A 21 21 HIS CB C 21 36.450 31.164 5.286 1
1 126 . 3 1 1 A 21 21 HIS N N 21 122.170 126.265 -4.095 1
1 127 . 3 1 1 A 22 22 ALA H H 22 9.098 8.357 0.741 1
1 128 . 3 1 1 A 22 22 ALA HA H 22 4.116 3.699 0.417 1
1 132 . 3 1 1 A 22 22 ALA C C 22 178.340 179.238 -0.898 1
1 133 . 3 1 1 A 22 22 ALA CA C 22 54.670 55.152 -0.482 1
1 134 . 3 1 1 A 22 22 ALA CB C 22 20.870 17.941 2.929 1
1 135 . 3 1 1 A 22 22 ALA N N 22 128.332 128.022 0.310 1
1 136 . 3 1 1 A 23 23 ASN H H 23 10.395 7.809 2.586 1
1 137 . 3 1 1 A 23 23 ASN HA H 23 5.066 4.647 0.419 1
1 142 . 3 1 1 A 23 23 ASN C C 23 175.090 175.385 -0.295 1
1 143 . 3 1 1 A 23 23 ASN CA C 23 53.649 54.699 -1.050 1
1 144 . 3 1 1 A 23 23 ASN CB C 23 41.160 38.932 2.228 1
1 145 . 3 1 1 A 23 23 ASN N N 23 116.400 116.782 -0.382 1
1 147 . 3 1 1 A 24 24 LEU H H 24 7.752 7.746 0.006 1
1 148 . 3 1 1 A 24 24 LEU HA H 24 4.637 4.589 0.048 1
1 157 . 3 1 1 A 24 24 LEU C C 24 176.810 177.007 -0.197 1
1 158 . 3 1 1 A 24 24 LEU CA C 24 53.380 54.706 -1.326 1
1 159 . 3 1 1 A 24 24 LEU CB C 24 41.630 41.661 -0.031 1
1 162 . 3 1 1 A 24 24 LEU N N 24 122.870 121.465 1.405 1
1 163 . 3 1 1 A 25 25 LYS H H 25 8.491 8.966 -0.475 1
1 164 . 3 1 1 A 25 25 LYS HA H 25 4.196 4.188 0.008 1
1 171 . 3 1 1 A 25 25 LYS C C 25 177.530 177.217 0.313 1
1 172 . 3 1 1 A 25 25 LYS CA C 25 59.270 59.211 0.059 1
1 173 . 3 1 1 A 25 25 LYS CB C 25 32.300 33.045 -0.745 1
1 177 . 3 1 1 A 25 25 LYS N N 25 124.310 126.955 -2.645 1
1 178 . 3 1 1 A 26 26 SER H H 26 8.512 7.919 0.593 1
1 179 . 3 1 1 A 26 26 SER HA H 26 4.513 4.722 -0.209 1
1 182 . 3 1 1 A 26 26 SER C C 26 174.090 173.634 0.456 1
1 183 . 3 1 1 A 26 26 SER CA C 26 58.200 57.132 1.068 1
1 184 . 3 1 1 A 26 26 SER CB C 26 63.487 63.508 -0.021 1
1 185 . 3 1 1 A 26 26 SER N N 26 111.482 114.772 -3.290 1
1 186 . 3 1 1 A 27 27 PHE H H 27 7.723 8.725 -1.002 1
1 187 . 3 1 1 A 27 27 PHE HA H 27 4.463 5.082 -0.619 1
1 194 . 3 1 1 A 27 27 PHE C C 27 175.270 173.734 1.536 1
1 195 . 3 1 1 A 27 27 PHE CA C 27 59.290 58.065 1.225 1
1 196 . 3 1 1 A 27 27 PHE CB C 27 40.440 41.952 -1.512 1
1 201 . 3 1 1 A 27 27 PHE N N 27 123.451 129.760 -6.309 1
1 202 . 3 1 1 A 28 28 SER H H 28 7.702 8.563 -0.861 1
1 203 . 3 1 1 A 28 28 SER HA H 28 4.630 4.864 -0.234 1
1 206 . 3 1 1 A 28 28 SER C C 28 172.060 172.795 -0.735 1
1 207 . 3 1 1 A 28 28 SER CA C 28 57.700 56.636 1.064 1
1 208 . 3 1 1 A 28 28 SER CB C 28 64.600 64.150 0.450 1
1 209 . 3 1 1 A 28 28 SER N N 28 123.039 123.584 -0.545 1
1 210 . 3 1 1 A 29 29 ALA H H 29 8.154 6.827 1.327 1
1 211 . 3 1 1 A 29 29 ALA HA H 29 4.655 4.100 0.555 1
1 215 . 3 1 1 A 29 29 ALA C C 29 174.090 176.521 -2.431 1
1 216 . 3 1 1 A 29 29 ALA CA C 29 51.300 52.765 -1.465 1
1 217 . 3 1 1 A 29 29 ALA CB C 29 22.900 18.729 4.171 1
1 218 . 3 1 1 A 29 29 ALA N N 29 124.700 124.823 -0.123 1
1 219 . 3 1 1 A 30 30 ASP H H 30 8.395 8.792 -0.397 1
1 220 . 3 1 1 A 30 30 ASP HA H 30 5.532 4.717 0.815 1
1 223 . 3 1 1 A 30 30 ASP C C 30 174.320 174.965 -0.645 1
1 224 . 3 1 1 A 30 30 ASP CA C 30 53.870 53.520 0.350 1
1 225 . 3 1 1 A 30 30 ASP CB C 30 44.420 40.732 3.688 1
1 226 . 3 1 1 A 30 30 ASP N N 30 117.900 124.832 -6.932 1
1 227 . 3 1 1 A 31 31 ALA H H 31 8.866 8.342 0.524 1
1 228 . 3 1 1 A 31 31 ALA HA H 31 4.554 5.200 -0.646 1
1 232 . 3 1 1 A 31 31 ALA C C 31 174.240 175.717 -1.477 1
1 233 . 3 1 1 A 31 31 ALA CA C 31 51.710 50.086 1.624 1
1 234 . 3 1 1 A 31 31 ALA CB C 31 22.710 22.773 -0.063 1
1 235 . 3 1 1 A 31 31 ALA N N 31 121.463 128.587 -7.124 1
1 236 . 3 1 1 A 32 32 ARG H H 32 8.056 8.803 -0.747 1
1 237 . 3 1 1 A 32 32 ARG HA H 32 5.232 5.503 -0.271 1
1 244 . 3 1 1 A 32 32 ARG C C 32 175.610 175.351 0.259 1
1 245 . 3 1 1 A 32 32 ARG CA C 32 54.780 54.760 0.020 1
1 246 . 3 1 1 A 32 32 ARG CB C 32 31.840 31.727 0.113 1
1 249 . 3 1 1 A 32 32 ARG N N 32 119.065 119.421 -0.356 1
1 250 . 3 1 1 A 33 33 PHE H H 33 8.787 9.189 -0.402 1
1 251 . 3 1 1 A 33 33 PHE HA H 33 4.900 4.975 -0.075 1
1 258 . 3 1 1 A 33 33 PHE C C 33 175.050 175.526 -0.476 1
1 259 . 3 1 1 A 33 33 PHE CA C 33 55.790 56.936 -1.146 1
1 260 . 3 1 1 A 33 33 PHE CB C 33 43.300 41.977 1.323 1
1 265 . 3 1 1 A 33 33 PHE N N 33 119.356 123.135 -3.779 1
1 266 . 3 1 1 A 34 34 SER H H 34 8.361 9.078 -0.717 1
1 267 . 3 1 1 A 34 34 SER HA H 34 4.910 4.983 -0.073 1
1 268 . 3 1 1 A 34 34 SER CA C 34 55.270 56.725 -1.455 1
1 269 . 3 1 1 A 34 34 SER CB C 34 64.310 63.335 0.975 1
1 270 . 3 1 1 A 34 34 SER N N 34 118.000 115.898 2.102 1
1 271 . 3 1 1 A 35 35 PRO HA H 35 4.183 4.582 -0.399 1
1 278 . 3 1 1 A 35 35 PRO C C 35 176.460 176.943 -0.483 1
1 279 . 3 1 1 A 35 35 PRO CA C 35 64.120 64.230 -0.110 1
1 280 . 3 1 1 A 35 35 PRO CB C 35 32.140 31.522 0.618 1
1 283 . 3 1 1 A 36 36 GLN H H 36 8.013 8.158 -0.145 1
1 284 . 3 1 1 A 36 36 GLN HA H 36 4.278 4.514 -0.236 1
1 291 . 3 1 1 A 36 36 GLN C C 36 176.630 175.979 0.651 1
1 292 . 3 1 1 A 36 36 GLN CA C 36 56.600 55.998 0.602 1
1 293 . 3 1 1 A 36 36 GLN CB C 36 29.380 29.516 -0.136 1
1 295 . 3 1 1 A 36 36 GLN N N 36 114.700 117.179 -2.479 1
1 297 . 3 1 1 A 37 37 MET H H 37 7.628 7.470 0.158 1
1 298 . 3 1 1 A 37 37 MET HA H 37 4.314 4.636 -0.322 1
1 303 . 3 1 1 A 37 37 MET C C 37 174.480 175.030 -0.550 1
1 304 . 3 1 1 A 37 37 MET CA C 37 56.260 55.007 1.253 1
1 305 . 3 1 1 A 37 37 MET CB C 37 34.890 33.598 1.292 1
1 307 . 3 1 1 A 37 37 MET N N 37 120.895 122.260 -1.365 1
1 308 . 3 1 1 A 38 38 SER H H 38 8.740 8.911 -0.171 1
1 309 . 3 1 1 A 38 38 SER HA H 38 4.650 4.578 0.072 1
1 312 . 3 1 1 A 38 38 SER C C 38 175.320 174.949 0.371 1
1 313 . 3 1 1 A 38 38 SER CA C 38 57.555 58.526 -0.971 1
1 314 . 3 1 1 A 38 38 SER CB C 38 64.800 64.050 0.750 1
1 315 . 3 1 1 A 38 38 SER N N 38 119.800 123.231 -3.431 1
1 316 . 3 1 1 A 39 39 VAL H H 39 8.619 8.424 0.195 1
1 317 . 3 1 1 A 39 39 VAL HA H 39 3.405 3.601 -0.196 1
1 325 . 3 1 1 A 39 39 VAL C C 39 177.950 177.657 0.293 1
1 326 . 3 1 1 A 39 39 VAL CA C 39 68.010 66.245 1.765 1
1 327 . 3 1 1 A 39 39 VAL CB C 39 31.830 31.390 0.440 1
1 330 . 3 1 1 A 39 39 VAL N N 39 122.324 123.544 -1.220 1
1 331 . 3 1 1 A 40 40 GLU H H 40 8.737 8.311 0.426 1
1 332 . 3 1 1 A 40 40 GLU HA H 40 3.743 4.031 -0.288 1
1 337 . 3 1 1 A 40 40 GLU C C 40 177.450 178.505 -1.055 1
1 338 . 3 1 1 A 40 40 GLU CA C 40 60.570 59.257 1.313 1
1 339 . 3 1 1 A 40 40 GLU CB C 40 30.000 29.311 0.689 1
1 341 . 3 1 1 A 40 40 GLU N N 40 120.358 120.220 0.138 1
1 342 . 3 1 1 A 41 41 ALA H H 41 8.056 7.895 0.161 1
1 343 . 3 1 1 A 41 41 ALA HA H 41 4.275 4.100 0.175 1
1 347 . 3 1 1 A 41 41 ALA C C 41 181.560 179.974 1.586 1
1 348 . 3 1 1 A 41 41 ALA CA C 41 55.080 55.062 0.018 1
1 349 . 3 1 1 A 41 41 ALA CB C 41 18.570 18.383 0.187 1
1 350 . 3 1 1 A 41 41 ALA N N 41 123.045 121.546 1.499 1
1 351 . 3 1 1 A 42 42 VAL H H 42 8.519 8.101 0.418 1
1 352 . 3 1 1 A 42 42 VAL HA H 42 3.456 3.898 -0.442 1
1 360 . 3 1 1 A 42 42 VAL C C 42 177.950 177.745 0.205 1
1 361 . 3 1 1 A 42 42 VAL CA C 42 67.440 64.691 2.749 1
1 362 . 3 1 1 A 42 42 VAL CB C 42 31.370 31.498 -0.128 1
1 365 . 3 1 1 A 42 42 VAL N N 42 122.576 117.266 5.310 1
1 366 . 3 1 1 A 43 43 LYS H H 43 8.660 7.992 0.668 1
1 367 . 3 1 1 A 43 43 LYS HA H 43 3.905 3.922 -0.017 1
1 374 . 3 1 1 A 43 43 LYS C C 43 178.490 179.208 -0.718 1
1 375 . 3 1 1 A 43 43 LYS CA C 43 61.080 60.113 0.967 1
1 376 . 3 1 1 A 43 43 LYS CB C 43 33.450 32.011 1.439 1
1 380 . 3 1 1 A 43 43 LYS N N 43 118.752 122.466 -3.714 1
1 381 . 3 1 1 A 44 44 GLU H H 44 8.109 7.834 0.275 1
1 382 . 3 1 1 A 44 44 GLU HA H 44 4.100 4.177 -0.077 1
1 387 . 3 1 1 A 44 44 GLU C C 44 178.760 178.307 0.453 1
1 388 . 3 1 1 A 44 44 GLU CA C 44 60.560 59.431 1.129 1
1 389 . 3 1 1 A 44 44 GLU CB C 44 29.700 29.375 0.325 1
1 391 . 3 1 1 A 44 44 GLU N N 44 118.904 119.783 -0.879 1
1 392 . 3 1 1 A 45 45 LYS H H 45 7.868 7.929 -0.061 1
1 393 . 3 1 1 A 45 45 LYS HA H 45 4.147 4.314 -0.167 1
1 400 . 3 1 1 A 45 45 LYS C C 45 180.020 177.258 2.762 1
1 401 . 3 1 1 A 45 45 LYS CA C 45 59.210 57.285 1.925 1
1 402 . 3 1 1 A 45 45 LYS CB C 45 32.540 32.062 0.478 1
1 406 . 3 1 1 A 45 45 LYS N N 45 118.353 118.014 0.339 1
1 407 . 3 1 1 A 46 46 LEU H H 46 8.538 7.857 0.681 1
1 408 . 3 1 1 A 46 46 LEU HA H 46 4.147 4.224 -0.077 1
1 418 . 3 1 1 A 46 46 LEU C C 46 179.950 178.902 1.048 1
1 419 . 3 1 1 A 46 46 LEU CA C 46 57.900 56.822 1.078 1
1 420 . 3 1 1 A 46 46 LEU CB C 46 40.800 42.886 -2.086 1
1 424 . 3 1 1 A 46 46 LEU N N 46 118.568 118.111 0.457 1
1 425 . 3 1 1 A 47 47 TRP H H 47 9.308 8.647 0.661 1
1 426 . 3 1 1 A 47 47 TRP HA H 47 4.636 4.113 0.523 1
1 435 . 3 1 1 A 47 47 TRP C C 47 179.040 177.778 1.262 1
1 436 . 3 1 1 A 47 47 TRP CA C 47 60.312 60.584 -0.272 1
1 437 . 3 1 1 A 47 47 TRP CB C 47 28.080 29.790 -1.710 1
1 443 . 3 1 1 A 47 47 TRP N N 47 127.808 120.884 6.924 1
1 445 . 3 1 1 A 48 48 LYS H H 48 7.362 7.961 -0.599 1
1 446 . 3 1 1 A 48 48 LYS HA H 48 3.238 3.993 -0.755 1
1 453 . 3 1 1 A 48 48 LYS C C 48 177.660 177.202 0.458 1
1 454 . 3 1 1 A 48 48 LYS CA C 48 58.360 57.896 0.464 1
1 455 . 3 1 1 A 48 48 LYS CB C 48 32.090 31.955 0.135 1
1 459 . 3 1 1 A 48 48 LYS N N 48 118.583 118.099 0.484 1
1 460 . 3 1 1 A 49 49 LYS H H 49 7.339 7.965 -0.626 1
1 461 . 3 1 1 A 49 49 LYS HA H 49 4.388 4.375 0.013 1
1 468 . 3 1 1 A 49 49 LYS C C 49 177.120 178.195 -1.075 1
1 469 . 3 1 1 A 49 49 LYS CA C 49 57.469 57.754 -0.285 1
1 470 . 3 1 1 A 49 49 LYS CB C 49 33.990 34.039 -0.049 1
1 474 . 3 1 1 A 49 49 LYS N N 49 114.530 120.279 -5.749 1
1 475 . 3 1 1 A 50 50 CYS H H 50 8.092 8.128 -0.036 1
1 476 . 3 1 1 A 50 50 CYS HA H 50 4.880 4.520 0.360 1
1 479 . 3 1 1 A 50 50 CYS C C 50 174.560 175.246 -0.686 1
1 480 . 3 1 1 A 50 50 CYS CA C 50 57.213 59.700 -2.487 1
1 481 . 3 1 1 A 50 50 CYS CB C 50 31.470 29.087 2.383 1
1 482 . 3 1 1 A 50 50 CYS N N 50 110.536 115.364 -4.828 1
1 483 . 3 1 1 A 51 51 GLY H H 51 8.644 8.101 0.543 1
1 484 . 3 1 1 A 51 51 GLY HA2 H 51 4.248 3.903 0.345 1
1 485 . 3 1 1 A 51 51 GLY HA3 H 51 3.650 3.933 -0.283 1
1 486 . 3 1 1 A 51 51 GLY C C 51 173.800 174.155 -0.355 1
1 487 . 3 1 1 A 51 51 GLY CA C 51 46.390 46.750 -0.360 1
1 488 . 3 1 1 A 51 51 GLY N N 51 113.666 110.009 3.657 1
1 489 . 3 1 1 A 52 52 THR H H 52 7.781 7.930 -0.149 1
1 490 . 3 1 1 A 52 52 THR HA H 52 4.277 4.932 -0.655 1
1 495 . 3 1 1 A 52 52 THR C C 52 172.080 173.583 -1.503 1
1 496 . 3 1 1 A 52 52 THR CA C 52 63.630 61.362 2.268 1
1 497 . 3 1 1 A 52 52 THR CB C 52 69.720 72.875 -3.155 1
1 499 . 3 1 1 A 52 52 THR N N 52 121.643 114.426 7.217 1
1 500 . 3 1 1 A 53 53 SER H H 53 8.606 8.684 -0.078 1
1 501 . 3 1 1 A 53 53 SER HA H 53 3.775 4.334 -0.559 1
1 504 . 3 1 1 A 53 53 SER C C 53 175.890 176.169 -0.279 1
1 505 . 3 1 1 A 53 53 SER CA C 53 58.590 59.921 -1.331 1
1 506 . 3 1 1 A 53 53 SER CB C 53 63.620 63.688 -0.068 1
1 507 . 3 1 1 A 53 53 SER N N 53 120.903 122.456 -1.553 1
1 508 . 3 1 1 A 54 54 VAL H H 54 7.895 8.621 -0.726 1
1 509 . 3 1 1 A 54 54 VAL HA H 54 3.563 3.993 -0.430 1
1 517 . 3 1 1 A 54 54 VAL C C 54 178.260 176.901 1.359 1
1 518 . 3 1 1 A 54 54 VAL CA C 54 66.600 63.816 2.784 1
1 519 . 3 1 1 A 54 54 VAL CB C 54 31.630 31.442 0.188 1
1 522 . 3 1 1 A 54 54 VAL N N 54 121.121 123.839 -2.718 1
1 523 . 3 1 1 A 55 55 ASN H H 55 8.148 7.876 0.272 1
1 524 . 3 1 1 A 55 55 ASN HA H 55 4.496 4.718 -0.222 1
1 529 . 3 1 1 A 55 55 ASN C C 55 175.640 177.654 -2.014 1
1 530 . 3 1 1 A 55 55 ASN CA C 55 54.875 55.161 -0.286 1
1 531 . 3 1 1 A 55 55 ASN CB C 55 38.120 38.849 -0.729 1
1 532 . 3 1 1 A 55 55 ASN N N 55 115.018 120.422 -5.404 1
1 534 . 3 1 1 A 56 56 SER H H 56 7.559 7.709 -0.150 1
1 535 . 3 1 1 A 56 56 SER HA H 56 4.585 4.365 0.220 1
1 538 . 3 1 1 A 56 56 SER C C 56 171.180 174.829 -3.649 1
1 539 . 3 1 1 A 56 56 SER CA C 56 57.260 60.993 -3.733 1
1 540 . 3 1 1 A 56 56 SER CB C 56 64.260 63.472 0.788 1
1 541 . 3 1 1 A 56 56 SER N N 56 114.545 114.181 0.364 1
1 542 . 3 1 1 A 57 57 MET H H 57 7.177 7.138 0.039 1
1 543 . 3 1 1 A 57 57 MET HA H 57 4.785 4.738 0.047 1
1 548 . 3 1 1 A 57 57 MET C C 57 175.400 174.808 0.592 1
1 549 . 3 1 1 A 57 57 MET CA C 57 55.631 54.137 1.494 1
1 550 . 3 1 1 A 57 57 MET CB C 57 36.740 33.395 3.345 1
1 552 . 3 1 1 A 57 57 MET N N 57 120.883 119.944 0.939 1
1 553 . 3 1 1 A 58 58 ALA H H 58 9.226 8.936 0.290 1
1 554 . 3 1 1 A 58 58 ALA HA H 58 4.723 4.813 -0.090 1
1 558 . 3 1 1 A 58 58 ALA C C 58 175.360 176.149 -0.789 1
1 559 . 3 1 1 A 58 58 ALA CA C 58 50.327 50.834 -0.507 1
1 560 . 3 1 1 A 58 58 ALA CB C 58 21.580 21.308 0.272 1
1 561 . 3 1 1 A 58 58 ALA N N 58 129.559 129.541 0.018 1
1 562 . 3 1 1 A 59 59 LEU H H 59 8.307 8.870 -0.563 1
1 563 . 3 1 1 A 59 59 LEU HA H 59 5.393 4.943 0.450 1
1 573 . 3 1 1 A 59 59 LEU C C 59 175.470 175.555 -0.085 1
1 574 . 3 1 1 A 59 59 LEU CA C 59 52.970 53.355 -0.385 1
1 575 . 3 1 1 A 59 59 LEU CB C 59 47.410 45.081 2.329 1
1 579 . 3 1 1 A 59 59 LEU N N 59 118.793 117.766 1.027 1
1 580 . 3 1 1 A 60 60 GLU H H 60 8.978 9.239 -0.261 1
1 581 . 3 1 1 A 60 60 GLU HA H 60 4.789 4.479 0.310 1
1 586 . 3 1 1 A 60 60 GLU C C 60 173.670 174.543 -0.873 1
1 587 . 3 1 1 A 60 60 GLU CA C 60 54.246 55.505 -1.259 1
1 588 . 3 1 1 A 60 60 GLU CB C 60 35.470 29.526 5.944 1
1 590 . 3 1 1 A 60 60 GLU N N 60 121.100 125.172 -4.072 1
1 591 . 3 1 1 A 61 61 LEU H H 61 8.651 8.646 0.005 1
1 592 . 3 1 1 A 61 61 LEU HA H 61 5.541 4.817 0.724 1
1 602 . 3 1 1 A 61 61 LEU C C 61 174.270 174.080 0.190 1
1 603 . 3 1 1 A 61 61 LEU CA C 61 53.120 53.763 -0.643 1
1 604 . 3 1 1 A 61 61 LEU CB C 61 46.890 42.959 3.931 1
1 608 . 3 1 1 A 61 61 LEU N N 61 122.689 127.975 -5.286 1
1 609 . 3 1 1 A 62 62 TYR H H 62 10.028 9.150 0.878 1
1 610 . 3 1 1 A 62 62 TYR HA H 62 5.096 5.620 -0.524 1
1 617 . 3 1 1 A 62 62 TYR C C 62 175.180 175.320 -0.140 1
1 618 . 3 1 1 A 62 62 TYR CA C 62 56.520 57.191 -0.671 1
1 619 . 3 1 1 A 62 62 TYR CB C 62 42.520 41.027 1.493 1
1 624 . 3 1 1 A 62 62 TYR N N 62 126.875 127.499 -0.624 1
1 625 . 3 1 1 A 63 63 ASP H H 63 8.573 8.493 0.080 1
1 626 . 3 1 1 A 63 63 ASP HA H 63 2.824 5.238 -2.414 1
1 629 . 3 1 1 A 63 63 ASP C C 63 176.470 176.207 0.263 1
1 630 . 3 1 1 A 63 63 ASP CA C 63 51.490 51.922 -0.432 1
1 631 . 3 1 1 A 63 63 ASP CB C 63 41.490 42.597 -1.107 1
1 632 . 3 1 1 A 63 63 ASP N N 63 118.563 121.898 -3.335 1
1 633 . 3 1 1 A 64 64 ASP H H 64 8.319 8.685 -0.366 1
1 634 . 3 1 1 A 64 64 ASP HA H 64 4.396 4.668 -0.272 1
1 637 . 3 1 1 A 64 64 ASP C C 64 176.670 177.074 -0.404 1
1 638 . 3 1 1 A 64 64 ASP CA C 64 55.270 55.568 -0.298 1
1 639 . 3 1 1 A 64 64 ASP CB C 64 39.540 41.734 -2.194 1
1 640 . 3 1 1 A 64 64 ASP N N 64 114.728 118.170 -3.442 1
1 641 . 3 1 1 A 65 65 SER H H 65 8.305 7.973 0.332 1
1 642 . 3 1 1 A 65 65 SER HA H 65 4.640 4.293 0.347 1
1 645 . 3 1 1 A 65 65 SER C C 65 174.700 176.573 -1.873 1
1 646 . 3 1 1 A 65 65 SER CA C 65 58.550 60.898 -2.348 1
1 647 . 3 1 1 A 65 65 SER CB C 65 64.393 63.074 1.319 1
1 648 . 3 1 1 A 65 65 SER N N 65 115.837 115.844 -0.007 1
1 649 . 3 1 1 A 66 66 GLY H H 66 7.876 8.474 -0.598 1
1 650 . 3 1 1 A 66 66 GLY HA2 H 66 4.284 4.117 0.167 1
1 651 . 3 1 1 A 66 66 GLY HA3 H 66 3.679 4.130 -0.451 1
1 652 . 3 1 1 A 66 66 GLY C C 66 174.550 174.252 0.298 1
1 653 . 3 1 1 A 66 66 GLY CA C 66 45.570 44.730 0.840 1
1 654 . 3 1 1 A 66 66 GLY N N 66 109.151 109.672 -0.521 1
1 655 . 3 1 1 A 67 67 SER H H 67 8.416 8.201 0.215 1
1 656 . 3 1 1 A 67 67 SER HA H 67 4.583 4.785 -0.202 1
1 659 . 3 1 1 A 67 67 SER C C 67 173.680 173.515 0.165 1
1 660 . 3 1 1 A 67 67 SER CA C 67 58.070 59.349 -1.279 1
1 661 . 3 1 1 A 67 67 SER CB C 67 63.300 65.363 -2.063 1
1 662 . 3 1 1 A 67 67 SER N N 67 119.156 116.108 3.048 1
1 663 . 3 1 1 A 68 68 LYS H H 68 8.880 8.064 0.816 1
1 664 . 3 1 1 A 68 68 LYS HA H 68 3.233 4.917 -1.684 1
1 671 . 3 1 1 A 68 68 LYS C C 68 176.440 176.824 -0.384 1
1 672 . 3 1 1 A 68 68 LYS CA C 68 57.920 55.281 2.639 1
1 673 . 3 1 1 A 68 68 LYS CB C 68 31.822 33.901 -2.079 1
1 677 . 3 1 1 A 68 68 LYS N N 68 128.005 119.245 8.760 1
1 678 . 3 1 1 A 69 69 VAL H H 69 9.215 8.778 0.437 1
1 679 . 3 1 1 A 69 69 VAL HA H 69 4.185 4.576 -0.391 1
1 687 . 3 1 1 A 69 69 VAL C C 69 176.170 175.775 0.395 1
1 688 . 3 1 1 A 69 69 VAL CA C 69 62.860 60.894 1.966 1
1 689 . 3 1 1 A 69 69 VAL CB C 69 33.660 31.638 2.022 1
1 692 . 3 1 1 A 69 69 VAL N N 69 126.574 118.991 7.583 1
1 693 . 3 1 1 A 70 70 ALA H H 70 7.647 7.782 -0.135 1
1 694 . 3 1 1 A 70 70 ALA HA H 70 4.614 4.244 0.370 1
1 698 . 3 1 1 A 70 70 ALA C C 70 175.170 177.694 -2.524 1
1 699 . 3 1 1 A 70 70 ALA CA C 70 52.400 51.616 0.784 1
1 700 . 3 1 1 A 70 70 ALA CB C 70 23.350 18.172 5.178 1
1 701 . 3 1 1 A 70 70 ALA N N 70 118.268 125.892 -7.624 1
1 702 . 3 1 1 A 71 71 VAL H H 71 8.428 8.219 0.209 1
1 703 . 3 1 1 A 71 71 VAL HA H 71 4.216 3.643 0.573 1
1 711 . 3 1 1 A 71 71 VAL C C 71 175.810 176.082 -0.272 1
1 712 . 3 1 1 A 71 71 VAL CA C 71 62.380 66.572 -4.192 1
1 713 . 3 1 1 A 71 71 VAL CB C 71 33.120 31.993 1.127 1
1 716 . 3 1 1 A 71 71 VAL N N 71 119.624 123.102 -3.478 1
1 717 . 3 1 1 A 72 72 LEU H H 72 8.333 7.930 0.403 1
1 718 . 3 1 1 A 72 72 LEU HA H 72 3.882 3.881 0.001 1
1 728 . 3 1 1 A 72 72 LEU C C 72 176.580 176.496 0.084 1
1 729 . 3 1 1 A 72 72 LEU CA C 72 54.600 56.212 -1.612 1
1 730 . 3 1 1 A 72 72 LEU CB C 72 37.880 41.963 -4.083 1
1 734 . 3 1 1 A 72 72 LEU N N 72 130.241 122.452 7.789 1
1 735 . 3 1 1 A 73 73 SER H H 73 7.865 7.761 0.104 1
1 736 . 3 1 1 A 73 73 SER HA H 73 4.304 4.499 -0.195 1
1 739 . 3 1 1 A 73 73 SER C C 73 173.470 174.905 -1.435 1
1 740 . 3 1 1 A 73 73 SER CA C 73 59.400 57.767 1.633 1
1 741 . 3 1 1 A 73 73 SER CB C 73 64.230 63.858 0.372 1
1 742 . 3 1 1 A 73 73 SER N N 73 116.577 114.882 1.695 1
1 743 . 3 1 1 A 74 74 ASP H H 74 7.553 8.387 -0.834 1
1 744 . 3 1 1 A 74 74 ASP HA H 74 4.858 4.173 0.685 1
1 747 . 3 1 1 A 74 74 ASP C C 74 175.910 176.774 -0.864 1
1 748 . 3 1 1 A 74 74 ASP CA C 74 53.057 54.347 -1.290 1
1 749 . 3 1 1 A 74 74 ASP CB C 74 41.720 39.127 2.593 1
1 750 . 3 1 1 A 74 74 ASP N N 74 120.482 118.770 1.712 1
1 751 . 3 1 1 A 75 75 ASP H H 75 8.601 8.606 -0.005 1
1 752 . 3 1 1 A 75 75 ASP HA H 75 4.375 4.339 0.036 1
1 755 . 3 1 1 A 75 75 ASP C C 75 176.590 177.494 -0.904 1
1 756 . 3 1 1 A 75 75 ASP CA C 75 56.760 56.753 0.007 1
1 757 . 3 1 1 A 75 75 ASP CB C 75 41.310 39.647 1.663 1
1 758 . 3 1 1 A 75 75 ASP N N 75 125.434 121.310 4.124 1
1 759 . 3 1 1 A 76 76 SER H H 76 8.558 7.826 0.732 1
1 760 . 3 1 1 A 76 76 SER HA H 76 4.463 4.566 -0.103 1
1 763 . 3 1 1 A 76 76 SER C C 76 175.630 173.151 2.479 1
1 764 . 3 1 1 A 76 76 SER CA C 76 59.320 58.718 0.602 1
1 765 . 3 1 1 A 76 76 SER CB C 76 64.255 64.064 0.191 1
1 766 . 3 1 1 A 76 76 SER N N 76 112.502 111.765 0.737 1
1 767 . 3 1 1 A 77 77 ARG H H 77 7.381 7.588 -0.207 1
1 768 . 3 1 1 A 77 77 ARG HA H 77 4.318 4.660 -0.342 1
1 775 . 3 1 1 A 77 77 ARG CA C 77 53.260 52.111 1.149 1
1 776 . 3 1 1 A 77 77 ARG CB C 77 30.880 31.297 -0.417 1
1 779 . 3 1 1 A 77 77 ARG N N 77 123.368 120.564 2.804 1
1 780 . 3 1 1 A 78 78 PRO HA H 78 4.697 4.508 0.189 1
1 787 . 3 1 1 A 78 78 PRO C C 78 178.090 178.059 0.031 1
1 788 . 3 1 1 A 78 78 PRO CA C 78 61.970 63.379 -1.409 1
1 789 . 3 1 1 A 78 78 PRO CB C 78 31.380 31.999 -0.619 1
1 792 . 3 1 1 A 79 79 LEU H H 79 9.260 8.613 0.647 1
1 793 . 3 1 1 A 79 79 LEU HA H 79 4.099 4.300 -0.201 1
1 803 . 3 1 1 A 79 79 LEU C C 79 178.680 178.976 -0.296 1
1 804 . 3 1 1 A 79 79 LEU CA C 79 58.290 57.613 0.677 1
1 805 . 3 1 1 A 79 79 LEU CB C 79 42.160 42.221 -0.061 1
1 809 . 3 1 1 A 79 79 LEU N N 79 124.739 126.401 -1.662 1
1 810 . 3 1 1 A 80 80 GLY H H 80 9.611 7.964 1.647 1
1 811 . 3 1 1 A 80 80 GLY HA2 H 80 4.003 3.721 0.282 1
1 812 . 3 1 1 A 80 80 GLY HA3 H 80 3.683 3.739 -0.056 1
1 813 . 3 1 1 A 80 80 GLY C C 80 175.850 175.795 0.055 1
1 814 . 3 1 1 A 80 80 GLY CA C 80 46.830 47.417 -0.587 1
1 815 . 3 1 1 A 80 80 GLY N N 80 102.276 107.320 -5.044 1
1 816 . 3 1 1 A 81 81 PHE H H 81 8.177 8.098 0.079 1
1 817 . 3 1 1 A 81 81 PHE HA H 81 4.090 4.235 -0.145 1
1 822 . 3 1 1 A 81 81 PHE C C 81 175.810 177.841 -2.031 1
1 823 . 3 1 1 A 81 81 PHE CA C 81 60.560 60.443 0.117 1
1 824 . 3 1 1 A 81 81 PHE CB C 81 39.640 39.575 0.065 1
1 827 . 3 1 1 A 81 81 PHE N N 81 123.413 122.743 0.670 1
1 828 . 3 1 1 A 82 82 PHE H H 82 7.733 7.809 -0.076 1
1 829 . 3 1 1 A 82 82 PHE HA H 82 4.171 4.487 -0.316 1
1 834 . 3 1 1 A 82 82 PHE C C 82 172.960 175.447 -2.487 1
1 835 . 3 1 1 A 82 82 PHE CA C 82 57.730 59.505 -1.775 1
1 836 . 3 1 1 A 82 82 PHE CB C 82 38.670 39.365 -0.695 1
1 839 . 3 1 1 A 82 82 PHE N N 82 114.781 119.409 -4.628 1
1 840 . 3 1 1 A 83 83 SER H H 83 7.541 7.704 -0.163 1
1 841 . 3 1 1 A 83 83 SER HA H 83 3.898 3.965 -0.067 1
1 844 . 3 1 1 A 83 83 SER CA C 83 57.980 58.938 -0.958 1
1 845 . 3 1 1 A 83 83 SER CB C 83 61.882 61.405 0.477 1
1 846 . 3 1 1 A 83 83 SER N N 83 108.622 115.483 -6.861 1
1 847 . 3 1 1 A 85 85 PHE HA H 85 4.447 4.717 -0.270 1
1 854 . 3 1 1 A 85 85 PHE C C 85 173.640 175.331 -1.691 1
1 855 . 3 1 1 A 85 85 PHE CA C 85 55.600 56.045 -0.445 1
1 856 . 3 1 1 A 85 85 PHE CB C 85 42.180 42.067 0.113 1
1 861 . 3 1 1 A 86 86 ASP H H 86 8.469 9.013 -0.544 1
1 862 . 3 1 1 A 86 86 ASP HA H 86 4.934 4.595 0.339 1
1 865 . 3 1 1 A 86 86 ASP C C 86 177.910 176.509 1.401 1
1 866 . 3 1 1 A 86 86 ASP CA C 86 55.927 55.628 0.299 1
1 867 . 3 1 1 A 86 86 ASP CB C 86 41.109 39.768 1.341 1
1 868 . 3 1 1 A 86 86 ASP N N 86 119.276 121.602 -2.326 1
1 869 . 3 1 1 A 87 87 GLY H H 87 9.163 8.159 1.004 1
1 870 . 3 1 1 A 87 87 GLY HA2 H 87 4.570 3.988 0.582 1
1 871 . 3 1 1 A 87 87 GLY HA3 H 87 3.701 4.130 -0.429 1
1 872 . 3 1 1 A 87 87 GLY C C 87 175.180 174.424 0.756 1
1 873 . 3 1 1 A 87 87 GLY CA C 87 45.540 45.389 0.151 1
1 874 . 3 1 1 A 87 87 GLY N N 87 109.579 108.062 1.517 1
1 875 . 3 1 1 A 88 88 PHE H H 88 8.270 7.726 0.544 1
1 876 . 3 1 1 A 88 88 PHE HA H 88 4.653 4.787 -0.134 1
1 883 . 3 1 1 A 88 88 PHE C C 88 172.620 176.243 -3.623 1
1 884 . 3 1 1 A 88 88 PHE CA C 88 57.570 58.999 -1.429 1
1 885 . 3 1 1 A 88 88 PHE CB C 88 38.750 39.619 -0.869 1
1 890 . 3 1 1 A 88 88 PHE N N 88 121.300 120.565 0.735 1
1 891 . 3 1 1 A 89 89 ARG H H 89 9.056 9.496 -0.440 1
1 892 . 3 1 1 A 89 89 ARG HA H 89 5.652 5.275 0.377 1
1 899 . 3 1 1 A 89 89 ARG C C 89 174.990 175.242 -0.252 1
1 900 . 3 1 1 A 89 89 ARG CA C 89 54.067 55.272 -1.205 1
1 901 . 3 1 1 A 89 89 ARG CB C 89 35.630 32.835 2.795 1
1 904 . 3 1 1 A 89 89 ARG N N 89 120.200 124.153 -3.953 1
1 905 . 3 1 1 A 90 90 LEU H H 90 9.487 10.097 -0.610 1
1 906 . 3 1 1 A 90 90 LEU HA H 90 5.244 4.786 0.458 1
1 916 . 3 1 1 A 90 90 LEU C C 90 173.050 175.055 -2.005 1
1 917 . 3 1 1 A 90 90 LEU CA C 90 53.250 53.844 -0.594 1
1 918 . 3 1 1 A 90 90 LEU CB C 90 44.870 41.927 2.943 1
1 922 . 3 1 1 A 90 90 LEU N N 90 128.373 125.718 2.655 1
1 923 . 3 1 1 A 91 91 HIS H H 91 9.474 9.107 0.367 1
1 924 . 3 1 1 A 91 91 HIS HA H 91 5.357 5.334 0.023 1
1 929 . 3 1 1 A 91 91 HIS C C 91 173.870 174.058 -0.188 1
1 930 . 3 1 1 A 91 91 HIS CA C 91 54.320 54.475 -0.155 1
1 931 . 3 1 1 A 91 91 HIS CB C 91 36.070 30.549 5.521 1
1 934 . 3 1 1 A 91 91 HIS N N 91 125.565 125.315 0.250 1
1 935 . 3 1 1 A 92 92 ILE H H 92 8.341 8.750 -0.409 1
1 936 . 3 1 1 A 92 92 ILE HA H 92 4.045 3.895 0.150 1
1 946 . 3 1 1 A 92 92 ILE C C 92 173.350 175.534 -2.184 1
1 947 . 3 1 1 A 92 92 ILE CA C 92 61.380 62.540 -1.160 1
1 948 . 3 1 1 A 92 92 ILE CB C 92 40.040 37.844 2.196 1
1 952 . 3 1 1 A 92 92 ILE N N 92 126.939 128.572 -1.633 1
1 953 . 3 1 1 A 93 93 ILE H H 93 8.754 8.971 -0.217 1
1 954 . 3 1 1 A 93 93 ILE HA H 93 3.744 4.249 -0.505 1
1 964 . 3 1 1 A 93 93 ILE C C 93 174.450 174.797 -0.347 1
1 965 . 3 1 1 A 93 93 ILE CA C 93 60.480 61.069 -0.589 1
1 966 . 3 1 1 A 93 93 ILE CB C 93 41.250 36.822 4.428 1
1 970 . 3 1 1 A 93 93 ILE N N 93 126.486 129.091 -2.605 1
1 971 . 3 1 1 A 94 94 ASP H H 94 7.976 8.263 -0.287 1
1 972 . 3 1 1 A 94 94 ASP HA H 94 4.881 4.880 0.001 1
1 975 . 3 1 1 A 94 94 ASP C C 94 176.710 175.691 1.019 1
1 976 . 3 1 1 A 94 94 ASP CA C 94 52.170 52.946 -0.776 1
1 977 . 3 1 1 A 94 94 ASP CB C 94 42.000 40.187 1.813 1
1 978 . 3 1 1 A 94 94 ASP N N 94 124.752 128.784 -4.032 1
1 979 . 3 1 1 A 95 95 LEU H H 95 9.218 8.794 0.424 1
1 980 . 3 1 1 A 95 95 LEU HA H 95 4.111 4.215 -0.104 1
1 990 . 3 1 1 A 95 95 LEU C C 95 177.230 176.641 0.589 1
1 991 . 3 1 1 A 95 95 LEU CA C 95 55.553 56.879 -1.326 1
1 992 . 3 1 1 A 95 95 LEU CB C 95 42.380 42.246 0.134 1
1 996 . 3 1 1 A 95 95 LEU N N 95 126.286 126.546 -0.260 1
1 997 . 3 1 1 A 96 96 ASP H H 96 8.762 7.846 0.916 1
1 998 . 3 1 1 A 96 96 ASP HA H 96 4.946 5.101 -0.155 1
1 1001 . 3 1 1 A 96 96 ASP CA C 96 52.598 51.939 0.659 1
1 1002 . 3 1 1 A 96 96 ASP CB C 96 41.400 43.404 -2.004 1
1 1 . 4 1 1 A 10 10 HIS HA H 10 4.439 5.543 -1.104 1
1 4 . 4 1 1 A 10 10 HIS CA C 10 55.740 54.258 1.482 1
1 5 . 4 1 1 A 10 10 HIS CB C 10 32.490 33.698 -1.208 1
1 6 . 4 1 1 A 11 11 GLY H H 11 8.463 8.607 -0.144 1
1 7 . 4 1 1 A 11 11 GLY HA2 H 11 3.930 4.134 -0.204 1
1 8 . 4 1 1 A 11 11 GLY HA3 H 11 3.989 4.136 -0.147 1
1 9 . 4 1 1 A 11 11 GLY C C 11 173.720 173.096 0.624 1
1 10 . 4 1 1 A 11 11 GLY CA C 11 45.450 45.603 -0.153 1
1 11 . 4 1 1 A 11 11 GLY N N 11 110.200 109.159 1.041 1
1 12 . 4 1 1 A 12 12 ASP H H 12 8.174 8.797 -0.623 1
1 13 . 4 1 1 A 12 12 ASP HA H 12 4.656 4.660 -0.004 1
1 16 . 4 1 1 A 12 12 ASP C C 12 174.950 175.344 -0.394 1
1 17 . 4 1 1 A 12 12 ASP CA C 12 54.140 53.231 0.909 1
1 18 . 4 1 1 A 12 12 ASP CB C 12 41.370 39.218 2.152 1
1 19 . 4 1 1 A 12 12 ASP N N 12 120.300 123.639 -3.339 1
1 20 . 4 1 1 A 13 13 ASP H H 13 8.405 8.401 0.004 1
1 21 . 4 1 1 A 13 13 ASP HA H 13 4.630 4.878 -0.248 1
1 24 . 4 1 1 A 13 13 ASP C C 13 176.040 175.332 0.708 1
1 25 . 4 1 1 A 13 13 ASP CA C 13 53.910 53.137 0.773 1
1 26 . 4 1 1 A 13 13 ASP CB C 13 40.840 40.741 0.099 1
1 27 . 4 1 1 A 13 13 ASP N N 13 121.700 120.367 1.333 1
1 28 . 4 1 1 A 14 14 SER H H 14 8.120 8.352 -0.232 1
1 29 . 4 1 1 A 14 14 SER HA H 14 4.570 5.020 -0.450 1
1 32 . 4 1 1 A 14 14 SER C C 14 173.350 172.967 0.383 1
1 33 . 4 1 1 A 14 14 SER CA C 14 59.250 57.645 1.605 1
1 34 . 4 1 1 A 14 14 SER CB C 14 64.956 65.985 -1.029 1
1 35 . 4 1 1 A 14 14 SER N N 14 114.400 114.117 0.283 1
1 36 . 4 1 1 A 15 15 VAL H H 15 8.859 8.837 0.022 1
1 37 . 4 1 1 A 15 15 VAL HA H 15 4.754 4.976 -0.222 1
1 45 . 4 1 1 A 15 15 VAL C C 15 174.290 174.659 -0.369 1
1 46 . 4 1 1 A 15 15 VAL CA C 15 59.546 60.343 -0.797 1
1 47 . 4 1 1 A 15 15 VAL CB C 15 34.830 34.153 0.677 1
1 50 . 4 1 1 A 15 15 VAL N N 15 118.659 117.985 0.674 1
1 51 . 4 1 1 A 16 16 HIS H H 16 9.376 8.905 0.471 1
1 52 . 4 1 1 A 16 16 HIS HA H 16 5.030 5.432 -0.402 1
1 56 . 4 1 1 A 16 16 HIS C C 16 173.700 174.524 -0.824 1
1 57 . 4 1 1 A 16 16 HIS CA C 16 54.914 55.152 -0.238 1
1 58 . 4 1 1 A 16 16 HIS CB C 16 30.300 28.029 2.271 1
1 60 . 4 1 1 A 16 16 HIS N N 16 126.974 124.668 2.306 1
1 61 . 4 1 1 A 17 17 LEU H H 17 8.888 8.198 0.690 1
1 62 . 4 1 1 A 17 17 LEU HA H 17 5.100 4.573 0.527 1
1 72 . 4 1 1 A 17 17 LEU C C 17 175.750 176.546 -0.796 1
1 73 . 4 1 1 A 17 17 LEU CA C 17 53.160 55.798 -2.638 1
1 74 . 4 1 1 A 17 17 LEU CB C 17 44.890 42.485 2.405 1
1 78 . 4 1 1 A 17 17 LEU N N 17 126.426 124.562 1.864 1
1 79 . 4 1 1 A 18 18 HIS H H 18 8.610 8.553 0.057 1
1 80 . 4 1 1 A 18 18 HIS HA H 18 5.191 4.938 0.253 1
1 84 . 4 1 1 A 18 18 HIS C C 18 174.120 174.655 -0.535 1
1 85 . 4 1 1 A 18 18 HIS CA C 18 55.120 55.657 -0.537 1
1 86 . 4 1 1 A 18 18 HIS CB C 18 31.000 28.652 2.348 1
1 88 . 4 1 1 A 18 18 HIS N N 18 120.309 124.118 -3.809 1
1 89 . 4 1 1 A 19 19 ILE H H 19 9.050 8.515 0.535 1
1 90 . 4 1 1 A 19 19 ILE HA H 19 5.704 4.317 1.387 1
1 100 . 4 1 1 A 19 19 ILE C C 19 175.890 176.065 -0.175 1
1 101 . 4 1 1 A 19 19 ILE CA C 19 60.250 62.931 -2.681 1
1 102 . 4 1 1 A 19 19 ILE CB C 19 40.500 37.582 2.918 1
1 106 . 4 1 1 A 19 19 ILE N N 19 123.672 125.000 -1.328 1
1 107 . 4 1 1 A 20 20 THR H H 20 9.224 9.254 -0.030 1
1 108 . 4 1 1 A 20 20 THR HA H 20 4.970 5.136 -0.166 1
1 110 . 4 1 1 A 20 20 THR C C 20 172.920 173.522 -0.602 1
1 111 . 4 1 1 A 20 20 THR CA C 20 60.960 61.369 -0.409 1
1 112 . 4 1 1 A 20 20 THR CB C 20 71.732 72.448 -0.716 1
1 114 . 4 1 1 A 20 20 THR N N 20 117.905 123.527 -5.622 1
1 115 . 4 1 1 A 21 21 HIS H H 21 9.755 8.412 1.343 1
1 116 . 4 1 1 A 21 21 HIS HA H 21 5.053 4.731 0.322 1
1 121 . 4 1 1 A 21 21 HIS C C 21 175.830 175.814 0.016 1
1 122 . 4 1 1 A 21 21 HIS CA C 21 55.561 55.353 0.208 1
1 123 . 4 1 1 A 21 21 HIS CB C 21 36.450 31.352 5.098 1
1 126 . 4 1 1 A 21 21 HIS N N 21 122.170 123.216 -1.046 1
1 127 . 4 1 1 A 22 22 ALA H H 22 9.098 8.932 0.166 1
1 128 . 4 1 1 A 22 22 ALA HA H 22 4.116 4.070 0.046 1
1 132 . 4 1 1 A 22 22 ALA C C 22 178.340 179.610 -1.270 1
1 133 . 4 1 1 A 22 22 ALA CA C 22 54.670 54.404 0.266 1
1 134 . 4 1 1 A 22 22 ALA CB C 22 20.870 18.853 2.017 1
1 135 . 4 1 1 A 22 22 ALA N N 22 128.332 123.050 5.282 1
1 136 . 4 1 1 A 23 23 ASN H H 23 10.395 8.069 2.326 1
1 137 . 4 1 1 A 23 23 ASN HA H 23 5.066 4.502 0.564 1
1 142 . 4 1 1 A 23 23 ASN C C 23 175.090 174.968 0.122 1
1 143 . 4 1 1 A 23 23 ASN CA C 23 53.649 55.439 -1.790 1
1 144 . 4 1 1 A 23 23 ASN CB C 23 41.160 38.950 2.210 1
1 145 . 4 1 1 A 23 23 ASN N N 23 116.400 116.906 -0.506 1
1 147 . 4 1 1 A 24 24 LEU H H 24 7.752 8.232 -0.480 1
1 148 . 4 1 1 A 24 24 LEU HA H 24 4.637 4.560 0.077 1
1 157 . 4 1 1 A 24 24 LEU C C 24 176.810 176.607 0.203 1
1 158 . 4 1 1 A 24 24 LEU CA C 24 53.380 54.099 -0.719 1
1 159 . 4 1 1 A 24 24 LEU CB C 24 41.630 42.687 -1.057 1
1 162 . 4 1 1 A 24 24 LEU N N 24 122.870 117.856 5.014 1
1 163 . 4 1 1 A 25 25 LYS H H 25 8.491 8.962 -0.471 1
1 164 . 4 1 1 A 25 25 LYS HA H 25 4.196 4.330 -0.134 1
1 171 . 4 1 1 A 25 25 LYS C C 25 177.530 176.637 0.893 1
1 172 . 4 1 1 A 25 25 LYS CA C 25 59.270 58.440 0.830 1
1 173 . 4 1 1 A 25 25 LYS CB C 25 32.300 33.261 -0.961 1
1 177 . 4 1 1 A 25 25 LYS N N 25 124.310 126.851 -2.541 1
1 178 . 4 1 1 A 26 26 SER H H 26 8.512 7.924 0.588 1
1 179 . 4 1 1 A 26 26 SER HA H 26 4.513 4.795 -0.282 1
1 182 . 4 1 1 A 26 26 SER C C 26 174.090 173.158 0.932 1
1 183 . 4 1 1 A 26 26 SER CA C 26 58.200 56.700 1.500 1
1 184 . 4 1 1 A 26 26 SER CB C 26 63.487 63.645 -0.158 1
1 185 . 4 1 1 A 26 26 SER N N 26 111.482 114.440 -2.958 1
1 186 . 4 1 1 A 27 27 PHE H H 27 7.723 9.228 -1.505 1
1 187 . 4 1 1 A 27 27 PHE HA H 27 4.463 5.343 -0.880 1
1 194 . 4 1 1 A 27 27 PHE C C 27 175.270 174.299 0.971 1
1 195 . 4 1 1 A 27 27 PHE CA C 27 59.290 55.634 3.656 1
1 196 . 4 1 1 A 27 27 PHE CB C 27 40.440 41.105 -0.665 1
1 201 . 4 1 1 A 27 27 PHE N N 27 123.451 130.960 -7.509 1
1 202 . 4 1 1 A 28 28 SER H H 28 7.702 8.755 -1.053 1
1 203 . 4 1 1 A 28 28 SER HA H 28 4.630 4.576 0.054 1
1 206 . 4 1 1 A 28 28 SER C C 28 172.060 174.830 -2.770 1
1 207 . 4 1 1 A 28 28 SER CA C 28 57.700 59.158 -1.458 1
1 208 . 4 1 1 A 28 28 SER CB C 28 64.600 62.809 1.791 1
1 209 . 4 1 1 A 28 28 SER N N 28 123.039 123.723 -0.684 1
1 210 . 4 1 1 A 29 29 ALA H H 29 8.154 8.090 0.064 1
1 211 . 4 1 1 A 29 29 ALA HA H 29 4.655 4.619 0.036 1
1 215 . 4 1 1 A 29 29 ALA C C 29 174.090 177.089 -2.999 1
1 216 . 4 1 1 A 29 29 ALA CA C 29 51.300 51.210 0.090 1
1 217 . 4 1 1 A 29 29 ALA CB C 29 22.900 19.947 2.953 1
1 218 . 4 1 1 A 29 29 ALA N N 29 124.700 128.740 -4.040 1
1 219 . 4 1 1 A 30 30 ASP H H 30 8.395 7.882 0.513 1
1 220 . 4 1 1 A 30 30 ASP HA H 30 5.532 4.718 0.814 1
1 223 . 4 1 1 A 30 30 ASP C C 30 174.320 175.109 -0.789 1
1 224 . 4 1 1 A 30 30 ASP CA C 30 53.870 53.741 0.129 1
1 225 . 4 1 1 A 30 30 ASP CB C 30 44.420 39.565 4.855 1
1 226 . 4 1 1 A 30 30 ASP N N 30 117.900 118.821 -0.921 1
1 227 . 4 1 1 A 31 31 ALA H H 31 8.866 8.393 0.473 1
1 228 . 4 1 1 A 31 31 ALA HA H 31 4.554 4.637 -0.083 1
1 232 . 4 1 1 A 31 31 ALA C C 31 174.240 176.210 -1.970 1
1 233 . 4 1 1 A 31 31 ALA CA C 31 51.710 50.886 0.824 1
1 234 . 4 1 1 A 31 31 ALA CB C 31 22.710 20.931 1.779 1
1 235 . 4 1 1 A 31 31 ALA N N 31 121.463 124.592 -3.129 1
1 236 . 4 1 1 A 32 32 ARG H H 32 8.056 8.137 -0.081 1
1 237 . 4 1 1 A 32 32 ARG HA H 32 5.232 4.290 0.942 1
1 244 . 4 1 1 A 32 32 ARG C C 32 175.610 175.443 0.167 1
1 245 . 4 1 1 A 32 32 ARG CA C 32 54.780 55.149 -0.369 1
1 246 . 4 1 1 A 32 32 ARG CB C 32 31.840 30.521 1.319 1
1 249 . 4 1 1 A 32 32 ARG N N 32 119.065 118.876 0.189 1
1 250 . 4 1 1 A 33 33 PHE H H 33 8.787 9.373 -0.586 1
1 251 . 4 1 1 A 33 33 PHE HA H 33 4.900 4.921 -0.021 1
1 258 . 4 1 1 A 33 33 PHE C C 33 175.050 175.929 -0.879 1
1 259 . 4 1 1 A 33 33 PHE CA C 33 55.790 56.664 -0.874 1
1 260 . 4 1 1 A 33 33 PHE CB C 33 43.300 41.950 1.350 1
1 265 . 4 1 1 A 33 33 PHE N N 33 119.356 122.911 -3.555 1
1 266 . 4 1 1 A 34 34 SER H H 34 8.361 8.951 -0.590 1
1 267 . 4 1 1 A 34 34 SER HA H 34 4.910 4.654 0.256 1
1 268 . 4 1 1 A 34 34 SER CA C 34 55.270 57.487 -2.217 1
1 269 . 4 1 1 A 34 34 SER CB C 34 64.310 62.710 1.600 1
1 270 . 4 1 1 A 34 34 SER N N 34 118.000 118.477 -0.477 1
1 271 . 4 1 1 A 35 35 PRO HA H 35 4.183 4.451 -0.268 1
1 278 . 4 1 1 A 35 35 PRO C C 35 176.460 177.742 -1.282 1
1 279 . 4 1 1 A 35 35 PRO CA C 35 64.120 64.786 -0.666 1
1 280 . 4 1 1 A 35 35 PRO CB C 35 32.140 32.121 0.019 1
1 283 . 4 1 1 A 36 36 GLN H H 36 8.013 8.391 -0.378 1
1 284 . 4 1 1 A 36 36 GLN HA H 36 4.278 4.489 -0.211 1
1 291 . 4 1 1 A 36 36 GLN C C 36 176.630 175.819 0.811 1
1 292 . 4 1 1 A 36 36 GLN CA C 36 56.600 55.843 0.757 1
1 293 . 4 1 1 A 36 36 GLN CB C 36 29.380 29.253 0.127 1
1 295 . 4 1 1 A 36 36 GLN N N 36 114.700 116.396 -1.696 1
1 297 . 4 1 1 A 37 37 MET H H 37 7.628 7.595 0.033 1
1 298 . 4 1 1 A 37 37 MET HA H 37 4.314 4.528 -0.214 1
1 303 . 4 1 1 A 37 37 MET C C 37 174.480 175.284 -0.804 1
1 304 . 4 1 1 A 37 37 MET CA C 37 56.260 54.701 1.559 1
1 305 . 4 1 1 A 37 37 MET CB C 37 34.890 32.144 2.746 1
1 307 . 4 1 1 A 37 37 MET N N 37 120.895 122.496 -1.601 1
1 308 . 4 1 1 A 38 38 SER H H 38 8.740 8.325 0.415 1
1 309 . 4 1 1 A 38 38 SER HA H 38 4.650 4.856 -0.206 1
1 312 . 4 1 1 A 38 38 SER C C 38 175.320 175.950 -0.630 1
1 313 . 4 1 1 A 38 38 SER CA C 38 57.555 57.036 0.519 1
1 314 . 4 1 1 A 38 38 SER CB C 38 64.800 66.057 -1.257 1
1 315 . 4 1 1 A 38 38 SER N N 38 119.800 119.343 0.457 1
1 316 . 4 1 1 A 39 39 VAL H H 39 8.619 8.396 0.223 1
1 317 . 4 1 1 A 39 39 VAL HA H 39 3.405 3.593 -0.188 1
1 325 . 4 1 1 A 39 39 VAL C C 39 177.950 177.757 0.193 1
1 326 . 4 1 1 A 39 39 VAL CA C 39 68.010 66.292 1.718 1
1 327 . 4 1 1 A 39 39 VAL CB C 39 31.830 31.428 0.402 1
1 330 . 4 1 1 A 39 39 VAL N N 39 122.324 121.451 0.873 1
1 331 . 4 1 1 A 40 40 GLU H H 40 8.737 8.654 0.083 1
1 332 . 4 1 1 A 40 40 GLU HA H 40 3.743 3.873 -0.130 1
1 337 . 4 1 1 A 40 40 GLU C C 40 177.450 178.534 -1.084 1
1 338 . 4 1 1 A 40 40 GLU CA C 40 60.570 59.556 1.014 1
1 339 . 4 1 1 A 40 40 GLU CB C 40 30.000 29.610 0.390 1
1 341 . 4 1 1 A 40 40 GLU N N 40 120.358 120.623 -0.265 1
1 342 . 4 1 1 A 41 41 ALA H H 41 8.056 7.473 0.583 1
1 343 . 4 1 1 A 41 41 ALA HA H 41 4.275 4.071 0.204 1
1 347 . 4 1 1 A 41 41 ALA C C 41 181.560 179.777 1.783 1
1 348 . 4 1 1 A 41 41 ALA CA C 41 55.080 54.876 0.204 1
1 349 . 4 1 1 A 41 41 ALA CB C 41 18.570 18.264 0.306 1
1 350 . 4 1 1 A 41 41 ALA N N 41 123.045 121.218 1.827 1
1 351 . 4 1 1 A 42 42 VAL H H 42 8.519 7.959 0.560 1
1 352 . 4 1 1 A 42 42 VAL HA H 42 3.456 3.883 -0.427 1
1 360 . 4 1 1 A 42 42 VAL C C 42 177.950 177.598 0.352 1
1 361 . 4 1 1 A 42 42 VAL CA C 42 67.440 64.867 2.573 1
1 362 . 4 1 1 A 42 42 VAL CB C 42 31.370 31.417 -0.047 1
1 365 . 4 1 1 A 42 42 VAL N N 42 122.576 117.078 5.498 1
1 366 . 4 1 1 A 43 43 LYS H H 43 8.660 8.240 0.420 1
1 367 . 4 1 1 A 43 43 LYS HA H 43 3.905 3.922 -0.017 1
1 374 . 4 1 1 A 43 43 LYS C C 43 178.490 178.994 -0.504 1
1 375 . 4 1 1 A 43 43 LYS CA C 43 61.080 60.218 0.862 1
1 376 . 4 1 1 A 43 43 LYS CB C 43 33.450 31.850 1.600 1
1 380 . 4 1 1 A 43 43 LYS N N 43 118.752 122.090 -3.338 1
1 381 . 4 1 1 A 44 44 GLU H H 44 8.109 7.979 0.130 1
1 382 . 4 1 1 A 44 44 GLU HA H 44 4.100 4.192 -0.092 1
1 387 . 4 1 1 A 44 44 GLU C C 44 178.760 178.903 -0.143 1
1 388 . 4 1 1 A 44 44 GLU CA C 44 60.560 59.308 1.252 1
1 389 . 4 1 1 A 44 44 GLU CB C 44 29.700 29.225 0.475 1
1 391 . 4 1 1 A 44 44 GLU N N 44 118.904 119.661 -0.757 1
1 392 . 4 1 1 A 45 45 LYS H H 45 7.868 7.344 0.524 1
1 393 . 4 1 1 A 45 45 LYS HA H 45 4.147 4.215 -0.068 1
1 400 . 4 1 1 A 45 45 LYS C C 45 180.020 179.189 0.831 1
1 401 . 4 1 1 A 45 45 LYS CA C 45 59.210 59.354 -0.144 1
1 402 . 4 1 1 A 45 45 LYS CB C 45 32.540 32.438 0.102 1
1 406 . 4 1 1 A 45 45 LYS N N 45 118.353 119.974 -1.621 1
1 407 . 4 1 1 A 46 46 LEU H H 46 8.538 8.550 -0.012 1
1 408 . 4 1 1 A 46 46 LEU HA H 46 4.147 4.133 0.014 1
1 418 . 4 1 1 A 46 46 LEU C C 46 179.950 179.209 0.741 1
1 419 . 4 1 1 A 46 46 LEU CA C 46 57.900 57.056 0.844 1
1 420 . 4 1 1 A 46 46 LEU CB C 46 40.800 41.502 -0.702 1
1 424 . 4 1 1 A 46 46 LEU N N 46 118.568 119.102 -0.534 1
1 425 . 4 1 1 A 47 47 TRP H H 47 9.308 8.164 1.144 1
1 426 . 4 1 1 A 47 47 TRP HA H 47 4.636 4.133 0.503 1
1 435 . 4 1 1 A 47 47 TRP C C 47 179.040 178.772 0.268 1
1 436 . 4 1 1 A 47 47 TRP CA C 47 60.312 60.748 -0.436 1
1 437 . 4 1 1 A 47 47 TRP CB C 47 28.080 29.696 -1.616 1
1 443 . 4 1 1 A 47 47 TRP N N 47 127.808 121.191 6.617 1
1 445 . 4 1 1 A 48 48 LYS H H 48 7.362 7.704 -0.342 1
1 446 . 4 1 1 A 48 48 LYS HA H 48 3.238 3.710 -0.472 1
1 453 . 4 1 1 A 48 48 LYS C C 48 177.660 179.496 -1.836 1
1 454 . 4 1 1 A 48 48 LYS CA C 48 58.360 58.832 -0.472 1
1 455 . 4 1 1 A 48 48 LYS CB C 48 32.090 31.944 0.146 1
1 459 . 4 1 1 A 48 48 LYS N N 48 118.583 117.964 0.619 1
1 460 . 4 1 1 A 49 49 LYS H H 49 7.339 7.285 0.054 1
1 461 . 4 1 1 A 49 49 LYS HA H 49 4.388 4.008 0.380 1
1 468 . 4 1 1 A 49 49 LYS C C 49 177.120 178.506 -1.386 1
1 469 . 4 1 1 A 49 49 LYS CA C 49 57.469 58.666 -1.197 1
1 470 . 4 1 1 A 49 49 LYS CB C 49 33.990 32.074 1.916 1
1 474 . 4 1 1 A 49 49 LYS N N 49 114.530 119.628 -5.098 1
1 475 . 4 1 1 A 50 50 CYS H H 50 8.092 7.807 0.285 1
1 476 . 4 1 1 A 50 50 CYS HA H 50 4.880 4.445 0.435 1
1 479 . 4 1 1 A 50 50 CYS C C 50 174.560 175.431 -0.871 1
1 480 . 4 1 1 A 50 50 CYS CA C 50 57.213 59.504 -2.291 1
1 481 . 4 1 1 A 50 50 CYS CB C 50 31.470 28.324 3.146 1
1 482 . 4 1 1 A 50 50 CYS N N 50 110.536 115.355 -4.819 1
1 483 . 4 1 1 A 51 51 GLY H H 51 8.644 9.089 -0.445 1
1 484 . 4 1 1 A 51 51 GLY HA2 H 51 4.248 3.595 0.653 1
1 485 . 4 1 1 A 51 51 GLY HA3 H 51 3.650 3.735 -0.085 1
1 486 . 4 1 1 A 51 51 GLY C C 51 173.800 173.364 0.436 1
1 487 . 4 1 1 A 51 51 GLY CA C 51 46.390 45.664 0.726 1
1 488 . 4 1 1 A 51 51 GLY N N 51 113.666 109.816 3.850 1
1 489 . 4 1 1 A 52 52 THR H H 52 7.781 7.708 0.073 1
1 490 . 4 1 1 A 52 52 THR HA H 52 4.277 5.003 -0.726 1
1 495 . 4 1 1 A 52 52 THR C C 52 172.080 173.351 -1.271 1
1 496 . 4 1 1 A 52 52 THR CA C 52 63.630 60.833 2.797 1
1 497 . 4 1 1 A 52 52 THR CB C 52 69.720 73.040 -3.320 1
1 499 . 4 1 1 A 52 52 THR N N 52 121.643 114.546 7.097 1
1 500 . 4 1 1 A 53 53 SER H H 53 8.606 8.442 0.164 1
1 501 . 4 1 1 A 53 53 SER HA H 53 3.775 4.648 -0.873 1
1 504 . 4 1 1 A 53 53 SER C C 53 175.890 175.920 -0.030 1
1 505 . 4 1 1 A 53 53 SER CA C 53 58.590 59.633 -1.043 1
1 506 . 4 1 1 A 53 53 SER CB C 53 63.620 63.919 -0.299 1
1 507 . 4 1 1 A 53 53 SER N N 53 120.903 119.461 1.442 1
1 508 . 4 1 1 A 54 54 VAL H H 54 7.895 8.598 -0.703 1
1 509 . 4 1 1 A 54 54 VAL HA H 54 3.563 4.292 -0.729 1
1 517 . 4 1 1 A 54 54 VAL C C 54 178.260 176.852 1.408 1
1 518 . 4 1 1 A 54 54 VAL CA C 54 66.600 61.678 4.922 1
1 519 . 4 1 1 A 54 54 VAL CB C 54 31.630 31.808 -0.178 1
1 522 . 4 1 1 A 54 54 VAL N N 54 121.121 122.376 -1.255 1
1 523 . 4 1 1 A 55 55 ASN H H 55 8.148 7.966 0.182 1
1 524 . 4 1 1 A 55 55 ASN HA H 55 4.496 4.356 0.140 1
1 529 . 4 1 1 A 55 55 ASN C C 55 175.640 177.292 -1.652 1
1 530 . 4 1 1 A 55 55 ASN CA C 55 54.875 56.735 -1.860 1
1 531 . 4 1 1 A 55 55 ASN CB C 55 38.120 38.701 -0.581 1
1 532 . 4 1 1 A 55 55 ASN N N 55 115.018 121.942 -6.924 1
1 534 . 4 1 1 A 56 56 SER H H 56 7.559 7.960 -0.401 1
1 535 . 4 1 1 A 56 56 SER HA H 56 4.585 4.301 0.284 1
1 538 . 4 1 1 A 56 56 SER C C 56 171.180 174.812 -3.632 1
1 539 . 4 1 1 A 56 56 SER CA C 56 57.260 60.608 -3.348 1
1 540 . 4 1 1 A 56 56 SER CB C 56 64.260 63.525 0.735 1
1 541 . 4 1 1 A 56 56 SER N N 56 114.545 114.146 0.399 1
1 542 . 4 1 1 A 57 57 MET H H 57 7.177 7.687 -0.510 1
1 543 . 4 1 1 A 57 57 MET HA H 57 4.785 4.495 0.290 1
1 548 . 4 1 1 A 57 57 MET C C 57 175.400 174.290 1.110 1
1 549 . 4 1 1 A 57 57 MET CA C 57 55.631 54.727 0.904 1
1 550 . 4 1 1 A 57 57 MET CB C 57 36.740 32.213 4.527 1
1 552 . 4 1 1 A 57 57 MET N N 57 120.883 120.544 0.339 1
1 553 . 4 1 1 A 58 58 ALA H H 58 9.226 8.217 1.009 1
1 554 . 4 1 1 A 58 58 ALA HA H 58 4.723 5.165 -0.442 1
1 558 . 4 1 1 A 58 58 ALA C C 58 175.360 176.230 -0.870 1
1 559 . 4 1 1 A 58 58 ALA CA C 58 50.327 50.395 -0.068 1
1 560 . 4 1 1 A 58 58 ALA CB C 58 21.580 21.231 0.349 1
1 561 . 4 1 1 A 58 58 ALA N N 58 129.559 129.575 -0.016 1
1 562 . 4 1 1 A 59 59 LEU H H 59 8.307 9.009 -0.702 1
1 563 . 4 1 1 A 59 59 LEU HA H 59 5.393 4.765 0.628 1
1 573 . 4 1 1 A 59 59 LEU C C 59 175.470 175.623 -0.153 1
1 574 . 4 1 1 A 59 59 LEU CA C 59 52.970 53.538 -0.568 1
1 575 . 4 1 1 A 59 59 LEU CB C 59 47.410 42.379 5.031 1
1 579 . 4 1 1 A 59 59 LEU N N 59 118.793 121.842 -3.049 1
1 580 . 4 1 1 A 60 60 GLU H H 60 8.978 9.190 -0.212 1
1 581 . 4 1 1 A 60 60 GLU HA H 60 4.789 4.484 0.305 1
1 586 . 4 1 1 A 60 60 GLU C C 60 173.670 174.677 -1.007 1
1 587 . 4 1 1 A 60 60 GLU CA C 60 54.246 56.007 -1.761 1
1 588 . 4 1 1 A 60 60 GLU CB C 60 35.470 29.948 5.522 1
1 590 . 4 1 1 A 60 60 GLU N N 60 121.100 124.766 -3.666 1
1 591 . 4 1 1 A 61 61 LEU H H 61 8.651 8.722 -0.071 1
1 592 . 4 1 1 A 61 61 LEU HA H 61 5.541 4.999 0.542 1
1 602 . 4 1 1 A 61 61 LEU C C 61 174.270 174.346 -0.076 1
1 603 . 4 1 1 A 61 61 LEU CA C 61 53.120 53.314 -0.194 1
1 604 . 4 1 1 A 61 61 LEU CB C 61 46.890 43.222 3.668 1
1 608 . 4 1 1 A 61 61 LEU N N 61 122.689 127.651 -4.962 1
1 609 . 4 1 1 A 62 62 TYR H H 62 10.028 8.728 1.300 1
1 610 . 4 1 1 A 62 62 TYR HA H 62 5.096 5.187 -0.091 1
1 617 . 4 1 1 A 62 62 TYR C C 62 175.180 175.336 -0.156 1
1 618 . 4 1 1 A 62 62 TYR CA C 62 56.520 57.287 -0.767 1
1 619 . 4 1 1 A 62 62 TYR CB C 62 42.520 40.929 1.591 1
1 624 . 4 1 1 A 62 62 TYR N N 62 126.875 127.434 -0.559 1
1 625 . 4 1 1 A 63 63 ASP H H 63 8.573 8.654 -0.081 1
1 626 . 4 1 1 A 63 63 ASP HA H 63 2.824 5.360 -2.536 1
1 629 . 4 1 1 A 63 63 ASP C C 63 176.470 175.219 1.251 1
1 630 . 4 1 1 A 63 63 ASP CA C 63 51.490 52.417 -0.927 1
1 631 . 4 1 1 A 63 63 ASP CB C 63 41.490 43.248 -1.758 1
1 632 . 4 1 1 A 63 63 ASP N N 63 118.563 119.307 -0.744 1
1 633 . 4 1 1 A 64 64 ASP H H 64 8.319 8.696 -0.377 1
1 634 . 4 1 1 A 64 64 ASP HA H 64 4.396 4.864 -0.468 1
1 637 . 4 1 1 A 64 64 ASP C C 64 176.670 176.694 -0.024 1
1 638 . 4 1 1 A 64 64 ASP CA C 64 55.270 54.504 0.766 1
1 639 . 4 1 1 A 64 64 ASP CB C 64 39.540 41.979 -2.439 1
1 640 . 4 1 1 A 64 64 ASP N N 64 114.728 117.626 -2.898 1
1 641 . 4 1 1 A 65 65 SER H H 65 8.305 8.690 -0.385 1
1 642 . 4 1 1 A 65 65 SER HA H 65 4.640 4.670 -0.030 1
1 645 . 4 1 1 A 65 65 SER C C 65 174.700 176.211 -1.511 1
1 646 . 4 1 1 A 65 65 SER CA C 65 58.550 59.739 -1.189 1
1 647 . 4 1 1 A 65 65 SER CB C 65 64.393 64.344 0.049 1
1 648 . 4 1 1 A 65 65 SER N N 65 115.837 114.405 1.432 1
1 649 . 4 1 1 A 66 66 GLY H H 66 7.876 8.740 -0.864 1
1 650 . 4 1 1 A 66 66 GLY HA2 H 66 4.284 4.047 0.237 1
1 651 . 4 1 1 A 66 66 GLY HA3 H 66 3.679 4.066 -0.387 1
1 652 . 4 1 1 A 66 66 GLY C C 66 174.550 174.848 -0.298 1
1 653 . 4 1 1 A 66 66 GLY CA C 66 45.570 44.926 0.644 1
1 654 . 4 1 1 A 66 66 GLY N N 66 109.151 109.103 0.048 1
1 655 . 4 1 1 A 67 67 SER H H 67 8.416 8.010 0.406 1
1 656 . 4 1 1 A 67 67 SER HA H 67 4.583 4.792 -0.209 1
1 659 . 4 1 1 A 67 67 SER C C 67 173.680 173.559 0.121 1
1 660 . 4 1 1 A 67 67 SER CA C 67 58.070 59.210 -1.140 1
1 661 . 4 1 1 A 67 67 SER CB C 67 63.300 65.888 -2.588 1
1 662 . 4 1 1 A 67 67 SER N N 67 119.156 117.173 1.983 1
1 663 . 4 1 1 A 68 68 LYS H H 68 8.880 7.739 1.141 1
1 664 . 4 1 1 A 68 68 LYS HA H 68 3.233 4.732 -1.499 1
1 671 . 4 1 1 A 68 68 LYS C C 68 176.440 175.904 0.536 1
1 672 . 4 1 1 A 68 68 LYS CA C 68 57.920 54.891 3.029 1
1 673 . 4 1 1 A 68 68 LYS CB C 68 31.822 35.155 -3.333 1
1 677 . 4 1 1 A 68 68 LYS N N 68 128.005 117.584 10.421 1
1 678 . 4 1 1 A 69 69 VAL H H 69 9.215 8.636 0.579 1
1 679 . 4 1 1 A 69 69 VAL HA H 69 4.185 4.537 -0.352 1
1 687 . 4 1 1 A 69 69 VAL C C 69 176.170 175.770 0.400 1
1 688 . 4 1 1 A 69 69 VAL CA C 69 62.860 60.846 2.014 1
1 689 . 4 1 1 A 69 69 VAL CB C 69 33.660 31.485 2.175 1
1 692 . 4 1 1 A 69 69 VAL N N 69 126.574 118.520 8.054 1
1 693 . 4 1 1 A 70 70 ALA H H 70 7.647 7.705 -0.058 1
1 694 . 4 1 1 A 70 70 ALA HA H 70 4.614 4.166 0.448 1
1 698 . 4 1 1 A 70 70 ALA C C 70 175.170 177.624 -2.454 1
1 699 . 4 1 1 A 70 70 ALA CA C 70 52.400 51.515 0.885 1
1 700 . 4 1 1 A 70 70 ALA CB C 70 23.350 18.278 5.072 1
1 701 . 4 1 1 A 70 70 ALA N N 70 118.268 125.863 -7.595 1
1 702 . 4 1 1 A 71 71 VAL H H 71 8.428 8.074 0.354 1
1 703 . 4 1 1 A 71 71 VAL HA H 71 4.216 3.639 0.577 1
1 711 . 4 1 1 A 71 71 VAL C C 71 175.810 176.041 -0.231 1
1 712 . 4 1 1 A 71 71 VAL CA C 71 62.380 66.763 -4.383 1
1 713 . 4 1 1 A 71 71 VAL CB C 71 33.120 31.719 1.401 1
1 716 . 4 1 1 A 71 71 VAL N N 71 119.624 123.396 -3.772 1
1 717 . 4 1 1 A 72 72 LEU H H 72 8.333 7.467 0.866 1
1 718 . 4 1 1 A 72 72 LEU HA H 72 3.882 3.864 0.018 1
1 728 . 4 1 1 A 72 72 LEU C C 72 176.580 176.456 0.124 1
1 729 . 4 1 1 A 72 72 LEU CA C 72 54.600 56.175 -1.575 1
1 730 . 4 1 1 A 72 72 LEU CB C 72 37.880 41.730 -3.850 1
1 734 . 4 1 1 A 72 72 LEU N N 72 130.241 122.635 7.606 1
1 735 . 4 1 1 A 73 73 SER H H 73 7.865 7.711 0.154 1
1 736 . 4 1 1 A 73 73 SER HA H 73 4.304 4.627 -0.323 1
1 739 . 4 1 1 A 73 73 SER C C 73 173.470 174.654 -1.184 1
1 740 . 4 1 1 A 73 73 SER CA C 73 59.400 57.805 1.595 1
1 741 . 4 1 1 A 73 73 SER CB C 73 64.230 64.751 -0.521 1
1 742 . 4 1 1 A 73 73 SER N N 73 116.577 114.525 2.052 1
1 743 . 4 1 1 A 74 74 ASP H H 74 7.553 7.955 -0.402 1
1 744 . 4 1 1 A 74 74 ASP HA H 74 4.858 4.542 0.316 1
1 747 . 4 1 1 A 74 74 ASP C C 74 175.910 177.445 -1.535 1
1 748 . 4 1 1 A 74 74 ASP CA C 74 53.057 53.110 -0.053 1
1 749 . 4 1 1 A 74 74 ASP CB C 74 41.720 39.893 1.827 1
1 750 . 4 1 1 A 74 74 ASP N N 74 120.482 118.802 1.680 1
1 751 . 4 1 1 A 75 75 ASP H H 75 8.601 8.531 0.070 1
1 752 . 4 1 1 A 75 75 ASP HA H 75 4.375 4.265 0.110 1
1 755 . 4 1 1 A 75 75 ASP C C 75 176.590 177.699 -1.109 1
1 756 . 4 1 1 A 75 75 ASP CA C 75 56.760 56.776 -0.016 1
1 757 . 4 1 1 A 75 75 ASP CB C 75 41.310 39.725 1.585 1
1 758 . 4 1 1 A 75 75 ASP N N 75 125.434 121.635 3.799 1
1 759 . 4 1 1 A 76 76 SER H H 76 8.558 7.752 0.806 1
1 760 . 4 1 1 A 76 76 SER HA H 76 4.463 4.633 -0.170 1
1 763 . 4 1 1 A 76 76 SER C C 76 175.630 173.807 1.823 1
1 764 . 4 1 1 A 76 76 SER CA C 76 59.320 58.373 0.947 1
1 765 . 4 1 1 A 76 76 SER CB C 76 64.255 64.002 0.253 1
1 766 . 4 1 1 A 76 76 SER N N 76 112.502 111.718 0.784 1
1 767 . 4 1 1 A 77 77 ARG H H 77 7.381 7.285 0.096 1
1 768 . 4 1 1 A 77 77 ARG HA H 77 4.318 4.668 -0.350 1
1 775 . 4 1 1 A 77 77 ARG CA C 77 53.260 52.852 0.408 1
1 776 . 4 1 1 A 77 77 ARG CB C 77 30.880 31.163 -0.283 1
1 779 . 4 1 1 A 77 77 ARG N N 77 123.368 120.536 2.832 1
1 780 . 4 1 1 A 78 78 PRO HA H 78 4.697 4.487 0.210 1
1 787 . 4 1 1 A 78 78 PRO C C 78 178.090 178.102 -0.012 1
1 788 . 4 1 1 A 78 78 PRO CA C 78 61.970 63.415 -1.445 1
1 789 . 4 1 1 A 78 78 PRO CB C 78 31.380 31.999 -0.619 1
1 792 . 4 1 1 A 79 79 LEU H H 79 9.260 8.989 0.271 1
1 793 . 4 1 1 A 79 79 LEU HA H 79 4.099 4.153 -0.054 1
1 803 . 4 1 1 A 79 79 LEU C C 79 178.680 179.034 -0.354 1
1 804 . 4 1 1 A 79 79 LEU CA C 79 58.290 57.915 0.375 1
1 805 . 4 1 1 A 79 79 LEU CB C 79 42.160 41.531 0.629 1
1 809 . 4 1 1 A 79 79 LEU N N 79 124.739 126.444 -1.705 1
1 810 . 4 1 1 A 80 80 GLY H H 80 9.611 8.519 1.092 1
1 811 . 4 1 1 A 80 80 GLY HA2 H 80 4.003 3.986 0.017 1
1 812 . 4 1 1 A 80 80 GLY HA3 H 80 3.683 4.004 -0.321 1
1 813 . 4 1 1 A 80 80 GLY C C 80 175.850 175.338 0.512 1
1 814 . 4 1 1 A 80 80 GLY CA C 80 46.830 46.469 0.361 1
1 815 . 4 1 1 A 80 80 GLY N N 80 102.276 106.415 -4.139 1
1 816 . 4 1 1 A 81 81 PHE H H 81 8.177 8.402 -0.225 1
1 817 . 4 1 1 A 81 81 PHE HA H 81 4.090 4.230 -0.140 1
1 822 . 4 1 1 A 81 81 PHE C C 81 175.810 177.599 -1.789 1
1 823 . 4 1 1 A 81 81 PHE CA C 81 60.560 60.448 0.112 1
1 824 . 4 1 1 A 81 81 PHE CB C 81 39.640 39.513 0.127 1
1 827 . 4 1 1 A 81 81 PHE N N 81 123.413 122.298 1.115 1
1 828 . 4 1 1 A 82 82 PHE H H 82 7.733 7.772 -0.039 1
1 829 . 4 1 1 A 82 82 PHE HA H 82 4.171 4.181 -0.010 1
1 834 . 4 1 1 A 82 82 PHE C C 82 172.960 175.378 -2.418 1
1 835 . 4 1 1 A 82 82 PHE CA C 82 57.730 60.976 -3.246 1
1 836 . 4 1 1 A 82 82 PHE CB C 82 38.670 39.665 -0.995 1
1 839 . 4 1 1 A 82 82 PHE N N 82 114.781 120.052 -5.271 1
1 840 . 4 1 1 A 83 83 SER H H 83 7.541 8.279 -0.738 1
1 841 . 4 1 1 A 83 83 SER HA H 83 3.898 4.009 -0.111 1
1 844 . 4 1 1 A 83 83 SER CA C 83 57.980 58.952 -0.972 1
1 845 . 4 1 1 A 83 83 SER CB C 83 61.882 61.408 0.474 1
1 846 . 4 1 1 A 83 83 SER N N 83 108.622 113.989 -5.367 1
1 847 . 4 1 1 A 85 85 PHE HA H 85 4.447 5.052 -0.605 1
1 854 . 4 1 1 A 85 85 PHE C C 85 173.640 175.559 -1.919 1
1 855 . 4 1 1 A 85 85 PHE CA C 85 55.600 56.341 -0.741 1
1 856 . 4 1 1 A 85 85 PHE CB C 85 42.180 43.645 -1.465 1
1 861 . 4 1 1 A 86 86 ASP H H 86 8.469 9.217 -0.748 1
1 862 . 4 1 1 A 86 86 ASP HA H 86 4.934 4.718 0.216 1
1 865 . 4 1 1 A 86 86 ASP C C 86 177.910 176.668 1.242 1
1 866 . 4 1 1 A 86 86 ASP CA C 86 55.927 55.255 0.672 1
1 867 . 4 1 1 A 86 86 ASP CB C 86 41.109 39.881 1.228 1
1 868 . 4 1 1 A 86 86 ASP N N 86 119.276 120.652 -1.376 1
1 869 . 4 1 1 A 87 87 GLY H H 87 9.163 8.161 1.002 1
1 870 . 4 1 1 A 87 87 GLY HA2 H 87 4.570 3.782 0.788 1
1 871 . 4 1 1 A 87 87 GLY HA3 H 87 3.701 3.925 -0.224 1
1 872 . 4 1 1 A 87 87 GLY C C 87 175.180 173.990 1.190 1
1 873 . 4 1 1 A 87 87 GLY CA C 87 45.540 45.269 0.271 1
1 874 . 4 1 1 A 87 87 GLY N N 87 109.579 108.678 0.901 1
1 875 . 4 1 1 A 88 88 PHE H H 88 8.270 7.311 0.959 1
1 876 . 4 1 1 A 88 88 PHE HA H 88 4.653 4.777 -0.124 1
1 883 . 4 1 1 A 88 88 PHE C C 88 172.620 176.408 -3.788 1
1 884 . 4 1 1 A 88 88 PHE CA C 88 57.570 58.066 -0.496 1
1 885 . 4 1 1 A 88 88 PHE CB C 88 38.750 40.748 -1.998 1
1 890 . 4 1 1 A 88 88 PHE N N 88 121.300 120.127 1.173 1
1 891 . 4 1 1 A 89 89 ARG H H 89 9.056 8.757 0.299 1
1 892 . 4 1 1 A 89 89 ARG HA H 89 5.652 5.101 0.551 1
1 899 . 4 1 1 A 89 89 ARG C C 89 174.990 175.188 -0.198 1
1 900 . 4 1 1 A 89 89 ARG CA C 89 54.067 54.974 -0.907 1
1 901 . 4 1 1 A 89 89 ARG CB C 89 35.630 33.806 1.824 1
1 904 . 4 1 1 A 89 89 ARG N N 89 120.200 120.734 -0.534 1
1 905 . 4 1 1 A 90 90 LEU H H 90 9.487 9.529 -0.042 1
1 906 . 4 1 1 A 90 90 LEU HA H 90 5.244 4.857 0.387 1
1 916 . 4 1 1 A 90 90 LEU C C 90 173.050 175.108 -2.058 1
1 917 . 4 1 1 A 90 90 LEU CA C 90 53.250 53.894 -0.644 1
1 918 . 4 1 1 A 90 90 LEU CB C 90 44.870 41.781 3.089 1
1 922 . 4 1 1 A 90 90 LEU N N 90 128.373 125.178 3.195 1
1 923 . 4 1 1 A 91 91 HIS H H 91 9.474 9.282 0.192 1
1 924 . 4 1 1 A 91 91 HIS HA H 91 5.357 5.107 0.250 1
1 929 . 4 1 1 A 91 91 HIS C C 91 173.870 173.611 0.259 1
1 930 . 4 1 1 A 91 91 HIS CA C 91 54.320 54.427 -0.107 1
1 931 . 4 1 1 A 91 91 HIS CB C 91 36.070 30.569 5.501 1
1 934 . 4 1 1 A 91 91 HIS N N 91 125.565 125.290 0.275 1
1 935 . 4 1 1 A 92 92 ILE H H 92 8.341 8.689 -0.348 1
1 936 . 4 1 1 A 92 92 ILE HA H 92 4.045 3.837 0.208 1
1 946 . 4 1 1 A 92 92 ILE C C 92 173.350 175.506 -2.156 1
1 947 . 4 1 1 A 92 92 ILE CA C 92 61.380 62.317 -0.937 1
1 948 . 4 1 1 A 92 92 ILE CB C 92 40.040 37.239 2.801 1
1 952 . 4 1 1 A 92 92 ILE N N 92 126.939 128.154 -1.215 1
1 953 . 4 1 1 A 93 93 ILE H H 93 8.754 8.690 0.064 1
1 954 . 4 1 1 A 93 93 ILE HA H 93 3.744 4.252 -0.508 1
1 964 . 4 1 1 A 93 93 ILE C C 93 174.450 175.118 -0.668 1
1 965 . 4 1 1 A 93 93 ILE CA C 93 60.480 61.437 -0.957 1
1 966 . 4 1 1 A 93 93 ILE CB C 93 41.250 38.075 3.175 1
1 970 . 4 1 1 A 93 93 ILE N N 93 126.486 129.104 -2.618 1
1 971 . 4 1 1 A 94 94 ASP H H 94 7.976 8.814 -0.838 1
1 972 . 4 1 1 A 94 94 ASP HA H 94 4.881 4.889 -0.008 1
1 975 . 4 1 1 A 94 94 ASP C C 94 176.710 175.483 1.227 1
1 976 . 4 1 1 A 94 94 ASP CA C 94 52.170 53.809 -1.639 1
1 977 . 4 1 1 A 94 94 ASP CB C 94 42.000 41.495 0.505 1
1 978 . 4 1 1 A 94 94 ASP N N 94 124.752 128.253 -3.501 1
1 979 . 4 1 1 A 95 95 LEU H H 95 9.218 9.059 0.159 1
1 980 . 4 1 1 A 95 95 LEU HA H 95 4.111 4.419 -0.308 1
1 990 . 4 1 1 A 95 95 LEU C C 95 177.230 176.598 0.632 1
1 991 . 4 1 1 A 95 95 LEU CA C 95 55.553 56.138 -0.585 1
1 992 . 4 1 1 A 95 95 LEU CB C 95 42.380 42.761 -0.381 1
1 996 . 4 1 1 A 95 95 LEU N N 95 126.286 125.982 0.304 1
1 997 . 4 1 1 A 96 96 ASP H H 96 8.762 8.032 0.730 1
1 998 . 4 1 1 A 96 96 ASP HA H 96 4.946 4.966 -0.020 1
1 1001 . 4 1 1 A 96 96 ASP CA C 96 52.598 52.215 0.383 1
1 1002 . 4 1 1 A 96 96 ASP CB C 96 41.400 43.604 -2.204 1
1 1 . 5 1 1 A 10 10 HIS HA H 10 4.439 5.229 -0.790 1
1 4 . 5 1 1 A 10 10 HIS CA C 10 55.740 54.283 1.457 1
1 5 . 5 1 1 A 10 10 HIS CB C 10 32.490 33.535 -1.045 1
1 6 . 5 1 1 A 11 11 GLY H H 11 8.463 8.687 -0.224 1
1 7 . 5 1 1 A 11 11 GLY HA2 H 11 3.930 4.134 -0.204 1
1 8 . 5 1 1 A 11 11 GLY HA3 H 11 3.989 4.136 -0.147 1
1 9 . 5 1 1 A 11 11 GLY C C 11 173.720 171.834 1.886 1
1 10 . 5 1 1 A 11 11 GLY CA C 11 45.450 44.933 0.517 1
1 11 . 5 1 1 A 11 11 GLY N N 11 110.200 109.324 0.876 1
1 12 . 5 1 1 A 12 12 ASP H H 12 8.174 8.626 -0.452 1
1 13 . 5 1 1 A 12 12 ASP HA H 12 4.656 4.700 -0.044 1
1 16 . 5 1 1 A 12 12 ASP C C 12 174.950 175.780 -0.830 1
1 17 . 5 1 1 A 12 12 ASP CA C 12 54.140 53.238 0.902 1
1 18 . 5 1 1 A 12 12 ASP CB C 12 41.370 39.342 2.028 1
1 19 . 5 1 1 A 12 12 ASP N N 12 120.300 122.001 -1.701 1
1 20 . 5 1 1 A 13 13 ASP H H 13 8.405 8.136 0.269 1
1 21 . 5 1 1 A 13 13 ASP HA H 13 4.630 4.850 -0.220 1
1 24 . 5 1 1 A 13 13 ASP C C 13 176.040 175.639 0.401 1
1 25 . 5 1 1 A 13 13 ASP CA C 13 53.910 53.357 0.553 1
1 26 . 5 1 1 A 13 13 ASP CB C 13 40.840 41.400 -0.560 1
1 27 . 5 1 1 A 13 13 ASP N N 13 121.700 122.571 -0.871 1
1 28 . 5 1 1 A 14 14 SER H H 14 8.120 7.708 0.412 1
1 29 . 5 1 1 A 14 14 SER HA H 14 4.570 5.327 -0.757 1
1 32 . 5 1 1 A 14 14 SER C C 14 173.350 173.198 0.152 1
1 33 . 5 1 1 A 14 14 SER CA C 14 59.250 56.841 2.409 1
1 34 . 5 1 1 A 14 14 SER CB C 14 64.956 65.679 -0.723 1
1 35 . 5 1 1 A 14 14 SER N N 14 114.400 112.478 1.922 1
1 36 . 5 1 1 A 15 15 VAL H H 15 8.859 9.042 -0.183 1
1 37 . 5 1 1 A 15 15 VAL HA H 15 4.754 4.492 0.262 1
1 45 . 5 1 1 A 15 15 VAL C C 15 174.290 174.597 -0.307 1
1 46 . 5 1 1 A 15 15 VAL CA C 15 59.546 61.541 -1.995 1
1 47 . 5 1 1 A 15 15 VAL CB C 15 34.830 32.837 1.993 1
1 50 . 5 1 1 A 15 15 VAL N N 15 118.659 121.546 -2.887 1
1 51 . 5 1 1 A 16 16 HIS H H 16 9.376 8.842 0.534 1
1 52 . 5 1 1 A 16 16 HIS HA H 16 5.030 4.832 0.198 1
1 56 . 5 1 1 A 16 16 HIS C C 16 173.700 173.192 0.508 1
1 57 . 5 1 1 A 16 16 HIS CA C 16 54.914 54.159 0.755 1
1 58 . 5 1 1 A 16 16 HIS CB C 16 30.300 30.320 -0.020 1
1 60 . 5 1 1 A 16 16 HIS N N 16 126.974 126.455 0.519 1
1 61 . 5 1 1 A 17 17 LEU H H 17 8.888 8.837 0.051 1
1 62 . 5 1 1 A 17 17 LEU HA H 17 5.100 4.900 0.200 1
1 72 . 5 1 1 A 17 17 LEU C C 17 175.750 175.390 0.360 1
1 73 . 5 1 1 A 17 17 LEU CA C 17 53.160 53.379 -0.219 1
1 74 . 5 1 1 A 17 17 LEU CB C 17 44.890 42.971 1.919 1
1 78 . 5 1 1 A 17 17 LEU N N 17 126.426 129.425 -2.999 1
1 79 . 5 1 1 A 18 18 HIS H H 18 8.610 9.055 -0.445 1
1 80 . 5 1 1 A 18 18 HIS HA H 18 5.191 5.059 0.132 1
1 84 . 5 1 1 A 18 18 HIS C C 18 174.120 174.573 -0.453 1
1 85 . 5 1 1 A 18 18 HIS CA C 18 55.120 54.963 0.157 1
1 86 . 5 1 1 A 18 18 HIS CB C 18 31.000 30.050 0.950 1
1 88 . 5 1 1 A 18 18 HIS N N 18 120.309 123.658 -3.349 1
1 89 . 5 1 1 A 19 19 ILE H H 19 9.050 9.190 -0.140 1
1 90 . 5 1 1 A 19 19 ILE HA H 19 5.704 4.529 1.175 1
1 100 . 5 1 1 A 19 19 ILE C C 19 175.890 175.568 0.322 1
1 101 . 5 1 1 A 19 19 ILE CA C 19 60.250 61.834 -1.584 1
1 102 . 5 1 1 A 19 19 ILE CB C 19 40.500 38.258 2.242 1
1 106 . 5 1 1 A 19 19 ILE N N 19 123.672 125.529 -1.857 1
1 107 . 5 1 1 A 20 20 THR H H 20 9.224 9.274 -0.050 1
1 108 . 5 1 1 A 20 20 THR HA H 20 4.970 4.995 -0.025 1
1 110 . 5 1 1 A 20 20 THR C C 20 172.920 173.140 -0.220 1
1 111 . 5 1 1 A 20 20 THR CA C 20 60.960 61.475 -0.515 1
1 112 . 5 1 1 A 20 20 THR CB C 20 71.732 72.470 -0.738 1
1 114 . 5 1 1 A 20 20 THR N N 20 117.905 122.456 -4.551 1
1 115 . 5 1 1 A 21 21 HIS H H 21 9.755 8.498 1.257 1
1 116 . 5 1 1 A 21 21 HIS HA H 21 5.053 4.897 0.156 1
1 121 . 5 1 1 A 21 21 HIS C C 21 175.830 176.109 -0.279 1
1 122 . 5 1 1 A 21 21 HIS CA C 21 55.561 55.649 -0.088 1
1 123 . 5 1 1 A 21 21 HIS CB C 21 36.450 31.260 5.190 1
1 126 . 5 1 1 A 21 21 HIS N N 21 122.170 125.076 -2.906 1
1 127 . 5 1 1 A 22 22 ALA H H 22 9.098 8.684 0.414 1
1 128 . 5 1 1 A 22 22 ALA HA H 22 4.116 3.844 0.272 1
1 132 . 5 1 1 A 22 22 ALA C C 22 178.340 179.632 -1.292 1
1 133 . 5 1 1 A 22 22 ALA CA C 22 54.670 55.196 -0.526 1
1 134 . 5 1 1 A 22 22 ALA CB C 22 20.870 18.609 2.261 1
1 135 . 5 1 1 A 22 22 ALA N N 22 128.332 124.489 3.843 1
1 136 . 5 1 1 A 23 23 ASN H H 23 10.395 8.178 2.217 1
1 137 . 5 1 1 A 23 23 ASN HA H 23 5.066 4.483 0.583 1
1 142 . 5 1 1 A 23 23 ASN C C 23 175.090 175.943 -0.853 1
1 143 . 5 1 1 A 23 23 ASN CA C 23 53.649 56.250 -2.601 1
1 144 . 5 1 1 A 23 23 ASN CB C 23 41.160 39.041 2.119 1
1 145 . 5 1 1 A 23 23 ASN N N 23 116.400 116.539 -0.139 1
1 147 . 5 1 1 A 24 24 LEU H H 24 7.752 7.791 -0.039 1
1 148 . 5 1 1 A 24 24 LEU HA H 24 4.637 4.574 0.063 1
1 157 . 5 1 1 A 24 24 LEU C C 24 176.810 176.817 -0.007 1
1 158 . 5 1 1 A 24 24 LEU CA C 24 53.380 54.156 -0.776 1
1 159 . 5 1 1 A 24 24 LEU CB C 24 41.630 39.989 1.641 1
1 162 . 5 1 1 A 24 24 LEU N N 24 122.870 119.194 3.676 1
1 163 . 5 1 1 A 25 25 LYS H H 25 8.491 8.188 0.303 1
1 164 . 5 1 1 A 25 25 LYS HA H 25 4.196 4.226 -0.030 1
1 171 . 5 1 1 A 25 25 LYS C C 25 177.530 177.616 -0.086 1
1 172 . 5 1 1 A 25 25 LYS CA C 25 59.270 58.681 0.589 1
1 173 . 5 1 1 A 25 25 LYS CB C 25 32.300 32.660 -0.360 1
1 177 . 5 1 1 A 25 25 LYS N N 25 124.310 126.748 -2.438 1
1 178 . 5 1 1 A 26 26 SER H H 26 8.512 7.782 0.730 1
1 179 . 5 1 1 A 26 26 SER HA H 26 4.513 4.632 -0.119 1
1 182 . 5 1 1 A 26 26 SER C C 26 174.090 173.053 1.037 1
1 183 . 5 1 1 A 26 26 SER CA C 26 58.200 57.345 0.855 1
1 184 . 5 1 1 A 26 26 SER CB C 26 63.487 61.804 1.683 1
1 185 . 5 1 1 A 26 26 SER N N 26 111.482 113.799 -2.317 1
1 186 . 5 1 1 A 27 27 PHE H H 27 7.723 8.904 -1.181 1
1 187 . 5 1 1 A 27 27 PHE HA H 27 4.463 5.098 -0.635 1
1 194 . 5 1 1 A 27 27 PHE C C 27 175.270 174.094 1.176 1
1 195 . 5 1 1 A 27 27 PHE CA C 27 59.290 56.159 3.131 1
1 196 . 5 1 1 A 27 27 PHE CB C 27 40.440 40.053 0.387 1
1 201 . 5 1 1 A 27 27 PHE N N 27 123.451 127.310 -3.859 1
1 202 . 5 1 1 A 28 28 SER H H 28 7.702 8.718 -1.016 1
1 203 . 5 1 1 A 28 28 SER HA H 28 4.630 4.575 0.055 1
1 206 . 5 1 1 A 28 28 SER C C 28 172.060 172.622 -0.562 1
1 207 . 5 1 1 A 28 28 SER CA C 28 57.700 58.039 -0.339 1
1 208 . 5 1 1 A 28 28 SER CB C 28 64.600 61.341 3.259 1
1 209 . 5 1 1 A 28 28 SER N N 28 123.039 124.177 -1.138 1
1 210 . 5 1 1 A 29 29 ALA H H 29 8.154 8.451 -0.297 1
1 211 . 5 1 1 A 29 29 ALA HA H 29 4.655 4.731 -0.076 1
1 215 . 5 1 1 A 29 29 ALA C C 29 174.090 175.212 -1.122 1
1 216 . 5 1 1 A 29 29 ALA CA C 29 51.300 50.212 1.088 1
1 217 . 5 1 1 A 29 29 ALA CB C 29 22.900 19.466 3.434 1
1 218 . 5 1 1 A 29 29 ALA N N 29 124.700 128.114 -3.414 1
1 219 . 5 1 1 A 30 30 ASP H H 30 8.395 9.113 -0.718 1
1 220 . 5 1 1 A 30 30 ASP HA H 30 5.532 5.347 0.185 1
1 223 . 5 1 1 A 30 30 ASP C C 30 174.320 175.319 -0.999 1
1 224 . 5 1 1 A 30 30 ASP CA C 30 53.870 53.155 0.715 1
1 225 . 5 1 1 A 30 30 ASP CB C 30 44.420 43.368 1.052 1
1 226 . 5 1 1 A 30 30 ASP N N 30 117.900 125.858 -7.958 1
1 227 . 5 1 1 A 31 31 ALA H H 31 8.866 8.795 0.071 1
1 228 . 5 1 1 A 31 31 ALA HA H 31 4.554 5.041 -0.487 1
1 232 . 5 1 1 A 31 31 ALA C C 31 174.240 175.515 -1.275 1
1 233 . 5 1 1 A 31 31 ALA CA C 31 51.710 50.543 1.167 1
1 234 . 5 1 1 A 31 31 ALA CB C 31 22.710 24.526 -1.816 1
1 235 . 5 1 1 A 31 31 ALA N N 31 121.463 127.578 -6.115 1
1 236 . 5 1 1 A 32 32 ARG H H 32 8.056 8.529 -0.473 1
1 237 . 5 1 1 A 32 32 ARG HA H 32 5.232 5.368 -0.136 1
1 244 . 5 1 1 A 32 32 ARG C C 32 175.610 174.357 1.253 1
1 245 . 5 1 1 A 32 32 ARG CA C 32 54.780 54.289 0.491 1
1 246 . 5 1 1 A 32 32 ARG CB C 32 31.840 33.412 -1.572 1
1 249 . 5 1 1 A 32 32 ARG N N 32 119.065 116.605 2.460 1
1 250 . 5 1 1 A 33 33 PHE H H 33 8.787 9.167 -0.380 1
1 251 . 5 1 1 A 33 33 PHE HA H 33 4.900 5.265 -0.365 1
1 258 . 5 1 1 A 33 33 PHE C C 33 175.050 174.700 0.350 1
1 259 . 5 1 1 A 33 33 PHE CA C 33 55.790 56.643 -0.853 1
1 260 . 5 1 1 A 33 33 PHE CB C 33 43.300 43.797 -0.497 1
1 265 . 5 1 1 A 33 33 PHE N N 33 119.356 120.408 -1.052 1
1 266 . 5 1 1 A 34 34 SER H H 34 8.361 8.757 -0.396 1
1 267 . 5 1 1 A 34 34 SER HA H 34 4.910 5.143 -0.233 1
1 268 . 5 1 1 A 34 34 SER CA C 34 55.270 55.841 -0.571 1
1 269 . 5 1 1 A 34 34 SER CB C 34 64.310 64.066 0.244 1
1 270 . 5 1 1 A 34 34 SER N N 34 118.000 114.536 3.464 1
1 271 . 5 1 1 A 35 35 PRO HA H 35 4.183 4.618 -0.435 1
1 278 . 5 1 1 A 35 35 PRO C C 35 176.460 177.363 -0.903 1
1 279 . 5 1 1 A 35 35 PRO CA C 35 64.120 64.185 -0.065 1
1 280 . 5 1 1 A 35 35 PRO CB C 35 32.140 31.589 0.551 1
1 283 . 5 1 1 A 36 36 GLN H H 36 8.013 8.415 -0.402 1
1 284 . 5 1 1 A 36 36 GLN HA H 36 4.278 4.281 -0.003 1
1 291 . 5 1 1 A 36 36 GLN C C 36 176.630 176.051 0.579 1
1 292 . 5 1 1 A 36 36 GLN CA C 36 56.600 57.144 -0.544 1
1 293 . 5 1 1 A 36 36 GLN CB C 36 29.380 29.321 0.059 1
1 295 . 5 1 1 A 36 36 GLN N N 36 114.700 117.019 -2.319 1
1 297 . 5 1 1 A 37 37 MET H H 37 7.628 7.426 0.202 1
1 298 . 5 1 1 A 37 37 MET HA H 37 4.314 4.708 -0.394 1
1 303 . 5 1 1 A 37 37 MET C C 37 174.480 175.507 -1.027 1
1 304 . 5 1 1 A 37 37 MET CA C 37 56.260 54.408 1.852 1
1 305 . 5 1 1 A 37 37 MET CB C 37 34.890 33.961 0.929 1
1 307 . 5 1 1 A 37 37 MET N N 37 120.895 121.083 -0.188 1
1 308 . 5 1 1 A 38 38 SER H H 38 8.740 8.788 -0.048 1
1 309 . 5 1 1 A 38 38 SER HA H 38 4.650 4.912 -0.262 1
1 312 . 5 1 1 A 38 38 SER C C 38 175.320 175.810 -0.490 1
1 313 . 5 1 1 A 38 38 SER CA C 38 57.555 56.449 1.106 1
1 314 . 5 1 1 A 38 38 SER CB C 38 64.800 66.457 -1.657 1
1 315 . 5 1 1 A 38 38 SER N N 38 119.800 119.670 0.130 1
1 316 . 5 1 1 A 39 39 VAL H H 39 8.619 8.446 0.173 1
1 317 . 5 1 1 A 39 39 VAL HA H 39 3.405 3.594 -0.189 1
1 325 . 5 1 1 A 39 39 VAL C C 39 177.950 177.847 0.103 1
1 326 . 5 1 1 A 39 39 VAL CA C 39 68.010 66.377 1.633 1
1 327 . 5 1 1 A 39 39 VAL CB C 39 31.830 31.470 0.360 1
1 330 . 5 1 1 A 39 39 VAL N N 39 122.324 121.551 0.773 1
1 331 . 5 1 1 A 40 40 GLU H H 40 8.737 8.866 -0.129 1
1 332 . 5 1 1 A 40 40 GLU HA H 40 3.743 3.940 -0.197 1
1 337 . 5 1 1 A 40 40 GLU C C 40 177.450 178.517 -1.067 1
1 338 . 5 1 1 A 40 40 GLU CA C 40 60.570 59.467 1.103 1
1 339 . 5 1 1 A 40 40 GLU CB C 40 30.000 29.259 0.741 1
1 341 . 5 1 1 A 40 40 GLU N N 40 120.358 120.614 -0.256 1
1 342 . 5 1 1 A 41 41 ALA H H 41 8.056 7.908 0.148 1
1 343 . 5 1 1 A 41 41 ALA HA H 41 4.275 4.117 0.158 1
1 347 . 5 1 1 A 41 41 ALA C C 41 181.560 179.649 1.911 1
1 348 . 5 1 1 A 41 41 ALA CA C 41 55.080 55.128 -0.048 1
1 349 . 5 1 1 A 41 41 ALA CB C 41 18.570 18.459 0.111 1
1 350 . 5 1 1 A 41 41 ALA N N 41 123.045 121.981 1.064 1
1 351 . 5 1 1 A 42 42 VAL H H 42 8.519 7.603 0.916 1
1 352 . 5 1 1 A 42 42 VAL HA H 42 3.456 3.863 -0.407 1
1 360 . 5 1 1 A 42 42 VAL C C 42 177.950 177.774 0.176 1
1 361 . 5 1 1 A 42 42 VAL CA C 42 67.440 64.883 2.557 1
1 362 . 5 1 1 A 42 42 VAL CB C 42 31.370 31.372 -0.002 1
1 365 . 5 1 1 A 42 42 VAL N N 42 122.576 116.915 5.661 1
1 366 . 5 1 1 A 43 43 LYS H H 43 8.660 8.000 0.660 1
1 367 . 5 1 1 A 43 43 LYS HA H 43 3.905 3.886 0.019 1
1 374 . 5 1 1 A 43 43 LYS C C 43 178.490 179.033 -0.543 1
1 375 . 5 1 1 A 43 43 LYS CA C 43 61.080 60.441 0.639 1
1 376 . 5 1 1 A 43 43 LYS CB C 43 33.450 32.203 1.247 1
1 380 . 5 1 1 A 43 43 LYS N N 43 118.752 122.451 -3.699 1
1 381 . 5 1 1 A 44 44 GLU H H 44 8.109 7.794 0.315 1
1 382 . 5 1 1 A 44 44 GLU HA H 44 4.100 4.226 -0.126 1
1 387 . 5 1 1 A 44 44 GLU C C 44 178.760 179.165 -0.405 1
1 388 . 5 1 1 A 44 44 GLU CA C 44 60.560 59.506 1.054 1
1 389 . 5 1 1 A 44 44 GLU CB C 44 29.700 29.260 0.440 1
1 391 . 5 1 1 A 44 44 GLU N N 44 118.904 120.296 -1.392 1
1 392 . 5 1 1 A 45 45 LYS H H 45 7.868 7.467 0.401 1
1 393 . 5 1 1 A 45 45 LYS HA H 45 4.147 4.265 -0.118 1
1 400 . 5 1 1 A 45 45 LYS C C 45 180.020 179.217 0.803 1
1 401 . 5 1 1 A 45 45 LYS CA C 45 59.210 59.057 0.153 1
1 402 . 5 1 1 A 45 45 LYS CB C 45 32.540 31.916 0.624 1
1 406 . 5 1 1 A 45 45 LYS N N 45 118.353 119.937 -1.584 1
1 407 . 5 1 1 A 46 46 LEU H H 46 8.538 8.315 0.223 1
1 408 . 5 1 1 A 46 46 LEU HA H 46 4.147 4.078 0.069 1
1 418 . 5 1 1 A 46 46 LEU C C 46 179.950 179.096 0.854 1
1 419 . 5 1 1 A 46 46 LEU CA C 46 57.900 57.848 0.052 1
1 420 . 5 1 1 A 46 46 LEU CB C 46 40.800 41.637 -0.837 1
1 424 . 5 1 1 A 46 46 LEU N N 46 118.568 118.680 -0.112 1
1 425 . 5 1 1 A 47 47 TRP H H 47 9.308 8.351 0.957 1
1 426 . 5 1 1 A 47 47 TRP HA H 47 4.636 4.237 0.399 1
1 435 . 5 1 1 A 47 47 TRP C C 47 179.040 177.674 1.366 1
1 436 . 5 1 1 A 47 47 TRP CA C 47 60.312 59.689 0.623 1
1 437 . 5 1 1 A 47 47 TRP CB C 47 28.080 29.852 -1.772 1
1 443 . 5 1 1 A 47 47 TRP N N 47 127.808 120.468 7.340 1
1 445 . 5 1 1 A 48 48 LYS H H 48 7.362 7.842 -0.480 1
1 446 . 5 1 1 A 48 48 LYS HA H 48 3.238 3.945 -0.707 1
1 453 . 5 1 1 A 48 48 LYS C C 48 177.660 178.693 -1.033 1
1 454 . 5 1 1 A 48 48 LYS CA C 48 58.360 57.598 0.762 1
1 455 . 5 1 1 A 48 48 LYS CB C 48 32.090 33.036 -0.946 1
1 459 . 5 1 1 A 48 48 LYS N N 48 118.583 118.595 -0.012 1
1 460 . 5 1 1 A 49 49 LYS H H 49 7.339 8.258 -0.919 1
1 461 . 5 1 1 A 49 49 LYS HA H 49 4.388 4.068 0.320 1
1 468 . 5 1 1 A 49 49 LYS C C 49 177.120 177.841 -0.721 1
1 469 . 5 1 1 A 49 49 LYS CA C 49 57.469 59.404 -1.935 1
1 470 . 5 1 1 A 49 49 LYS CB C 49 33.990 32.743 1.247 1
1 474 . 5 1 1 A 49 49 LYS N N 49 114.530 120.944 -6.414 1
1 475 . 5 1 1 A 50 50 CYS H H 50 8.092 7.639 0.453 1
1 476 . 5 1 1 A 50 50 CYS HA H 50 4.880 4.604 0.276 1
1 479 . 5 1 1 A 50 50 CYS C C 50 174.560 175.113 -0.553 1
1 480 . 5 1 1 A 50 50 CYS CA C 50 57.213 59.004 -1.791 1
1 481 . 5 1 1 A 50 50 CYS CB C 50 31.470 29.554 1.916 1
1 482 . 5 1 1 A 50 50 CYS N N 50 110.536 114.774 -4.238 1
1 483 . 5 1 1 A 51 51 GLY H H 51 8.644 8.063 0.581 1
1 484 . 5 1 1 A 51 51 GLY HA2 H 51 4.248 3.824 0.424 1
1 485 . 5 1 1 A 51 51 GLY HA3 H 51 3.650 3.905 -0.255 1
1 486 . 5 1 1 A 51 51 GLY C C 51 173.800 174.742 -0.942 1
1 487 . 5 1 1 A 51 51 GLY CA C 51 46.390 46.284 0.106 1
1 488 . 5 1 1 A 51 51 GLY N N 51 113.666 110.194 3.472 1
1 489 . 5 1 1 A 52 52 THR H H 52 7.781 7.759 0.022 1
1 490 . 5 1 1 A 52 52 THR HA H 52 4.277 4.196 0.081 1
1 495 . 5 1 1 A 52 52 THR C C 52 172.080 173.785 -1.705 1
1 496 . 5 1 1 A 52 52 THR CA C 52 63.630 63.707 -0.077 1
1 497 . 5 1 1 A 52 52 THR CB C 52 69.720 68.776 0.944 1
1 499 . 5 1 1 A 52 52 THR N N 52 121.643 117.416 4.227 1
1 500 . 5 1 1 A 53 53 SER H H 53 8.606 8.941 -0.335 1
1 501 . 5 1 1 A 53 53 SER HA H 53 3.775 4.511 -0.736 1
1 504 . 5 1 1 A 53 53 SER C C 53 175.890 176.000 -0.110 1
1 505 . 5 1 1 A 53 53 SER CA C 53 58.590 59.663 -1.073 1
1 506 . 5 1 1 A 53 53 SER CB C 53 63.620 63.383 0.237 1
1 507 . 5 1 1 A 53 53 SER N N 53 120.903 123.926 -3.023 1
1 508 . 5 1 1 A 54 54 VAL H H 54 7.895 8.642 -0.747 1
1 509 . 5 1 1 A 54 54 VAL HA H 54 3.563 3.953 -0.390 1
1 517 . 5 1 1 A 54 54 VAL C C 54 178.260 177.375 0.885 1
1 518 . 5 1 1 A 54 54 VAL CA C 54 66.600 64.073 2.527 1
1 519 . 5 1 1 A 54 54 VAL CB C 54 31.630 31.479 0.151 1
1 522 . 5 1 1 A 54 54 VAL N N 54 121.121 124.790 -3.669 1
1 523 . 5 1 1 A 55 55 ASN H H 55 8.148 8.171 -0.023 1
1 524 . 5 1 1 A 55 55 ASN HA H 55 4.496 4.422 0.074 1
1 529 . 5 1 1 A 55 55 ASN C C 55 175.640 176.816 -1.176 1
1 530 . 5 1 1 A 55 55 ASN CA C 55 54.875 56.080 -1.205 1
1 531 . 5 1 1 A 55 55 ASN CB C 55 38.120 38.663 -0.543 1
1 532 . 5 1 1 A 55 55 ASN N N 55 115.018 120.810 -5.792 1
1 534 . 5 1 1 A 56 56 SER H H 56 7.559 7.637 -0.078 1
1 535 . 5 1 1 A 56 56 SER HA H 56 4.585 4.534 0.051 1
1 538 . 5 1 1 A 56 56 SER C C 56 171.180 173.452 -2.272 1
1 539 . 5 1 1 A 56 56 SER CA C 56 57.260 58.243 -0.983 1
1 540 . 5 1 1 A 56 56 SER CB C 56 64.260 63.568 0.692 1
1 541 . 5 1 1 A 56 56 SER N N 56 114.545 109.708 4.837 1
1 542 . 5 1 1 A 57 57 MET H H 57 7.177 7.652 -0.475 1
1 543 . 5 1 1 A 57 57 MET HA H 57 4.785 4.814 -0.029 1
1 548 . 5 1 1 A 57 57 MET C C 57 175.400 174.870 0.530 1
1 549 . 5 1 1 A 57 57 MET CA C 57 55.631 54.617 1.014 1
1 550 . 5 1 1 A 57 57 MET CB C 57 36.740 34.252 2.488 1
1 552 . 5 1 1 A 57 57 MET N N 57 120.883 120.494 0.389 1
1 553 . 5 1 1 A 58 58 ALA H H 58 9.226 8.880 0.346 1
1 554 . 5 1 1 A 58 58 ALA HA H 58 4.723 4.870 -0.147 1
1 558 . 5 1 1 A 58 58 ALA C C 58 175.360 176.840 -1.480 1
1 559 . 5 1 1 A 58 58 ALA CA C 58 50.327 51.296 -0.969 1
1 560 . 5 1 1 A 58 58 ALA CB C 58 21.580 20.491 1.089 1
1 561 . 5 1 1 A 58 58 ALA N N 58 129.559 129.868 -0.309 1
1 562 . 5 1 1 A 59 59 LEU H H 59 8.307 8.980 -0.673 1
1 563 . 5 1 1 A 59 59 LEU HA H 59 5.393 4.782 0.611 1
1 573 . 5 1 1 A 59 59 LEU C C 59 175.470 175.350 0.120 1
1 574 . 5 1 1 A 59 59 LEU CA C 59 52.970 53.513 -0.543 1
1 575 . 5 1 1 A 59 59 LEU CB C 59 47.410 42.277 5.133 1
1 579 . 5 1 1 A 59 59 LEU N N 59 118.793 122.284 -3.491 1
1 580 . 5 1 1 A 60 60 GLU H H 60 8.978 8.768 0.210 1
1 581 . 5 1 1 A 60 60 GLU HA H 60 4.789 4.412 0.377 1
1 586 . 5 1 1 A 60 60 GLU C C 60 173.670 174.487 -0.817 1
1 587 . 5 1 1 A 60 60 GLU CA C 60 54.246 55.521 -1.275 1
1 588 . 5 1 1 A 60 60 GLU CB C 60 35.470 29.497 5.973 1
1 590 . 5 1 1 A 60 60 GLU N N 60 121.100 124.476 -3.376 1
1 591 . 5 1 1 A 61 61 LEU H H 61 8.651 8.627 0.024 1
1 592 . 5 1 1 A 61 61 LEU HA H 61 5.541 5.024 0.517 1
1 602 . 5 1 1 A 61 61 LEU C C 61 174.270 174.529 -0.259 1
1 603 . 5 1 1 A 61 61 LEU CA C 61 53.120 53.706 -0.586 1
1 604 . 5 1 1 A 61 61 LEU CB C 61 46.890 42.648 4.242 1
1 608 . 5 1 1 A 61 61 LEU N N 61 122.689 128.009 -5.320 1
1 609 . 5 1 1 A 62 62 TYR H H 62 10.028 8.963 1.065 1
1 610 . 5 1 1 A 62 62 TYR HA H 62 5.096 5.234 -0.138 1
1 617 . 5 1 1 A 62 62 TYR C C 62 175.180 175.283 -0.103 1
1 618 . 5 1 1 A 62 62 TYR CA C 62 56.520 57.769 -1.249 1
1 619 . 5 1 1 A 62 62 TYR CB C 62 42.520 40.759 1.761 1
1 624 . 5 1 1 A 62 62 TYR N N 62 126.875 127.200 -0.325 1
1 625 . 5 1 1 A 63 63 ASP H H 63 8.573 8.071 0.502 1
1 626 . 5 1 1 A 63 63 ASP HA H 63 2.824 5.345 -2.521 1
1 629 . 5 1 1 A 63 63 ASP C C 63 176.470 176.195 0.275 1
1 630 . 5 1 1 A 63 63 ASP CA C 63 51.490 51.950 -0.460 1
1 631 . 5 1 1 A 63 63 ASP CB C 63 41.490 42.692 -1.202 1
1 632 . 5 1 1 A 63 63 ASP N N 63 118.563 120.683 -2.120 1
1 633 . 5 1 1 A 64 64 ASP H H 64 8.319 8.791 -0.472 1
1 634 . 5 1 1 A 64 64 ASP HA H 64 4.396 4.619 -0.223 1
1 637 . 5 1 1 A 64 64 ASP C C 64 176.670 177.901 -1.231 1
1 638 . 5 1 1 A 64 64 ASP CA C 64 55.270 55.135 0.135 1
1 639 . 5 1 1 A 64 64 ASP CB C 64 39.540 41.888 -2.348 1
1 640 . 5 1 1 A 64 64 ASP N N 64 114.728 119.041 -4.313 1
1 641 . 5 1 1 A 65 65 SER H H 65 8.305 8.430 -0.125 1
1 642 . 5 1 1 A 65 65 SER HA H 65 4.640 4.627 0.013 1
1 645 . 5 1 1 A 65 65 SER C C 65 174.700 176.385 -1.685 1
1 646 . 5 1 1 A 65 65 SER CA C 65 58.550 60.112 -1.562 1
1 647 . 5 1 1 A 65 65 SER CB C 65 64.393 64.126 0.267 1
1 648 . 5 1 1 A 65 65 SER N N 65 115.837 114.273 1.564 1
1 649 . 5 1 1 A 66 66 GLY H H 66 7.876 8.539 -0.663 1
1 650 . 5 1 1 A 66 66 GLY HA2 H 66 4.284 4.020 0.264 1
1 651 . 5 1 1 A 66 66 GLY HA3 H 66 3.679 4.031 -0.352 1
1 652 . 5 1 1 A 66 66 GLY C C 66 174.550 174.782 -0.232 1
1 653 . 5 1 1 A 66 66 GLY CA C 66 45.570 44.860 0.710 1
1 654 . 5 1 1 A 66 66 GLY N N 66 109.151 109.057 0.094 1
1 655 . 5 1 1 A 67 67 SER H H 67 8.416 7.766 0.650 1
1 656 . 5 1 1 A 67 67 SER HA H 67 4.583 4.803 -0.220 1
1 659 . 5 1 1 A 67 67 SER C C 67 173.680 173.351 0.329 1
1 660 . 5 1 1 A 67 67 SER CA C 67 58.070 59.358 -1.288 1
1 661 . 5 1 1 A 67 67 SER CB C 67 63.300 65.477 -2.177 1
1 662 . 5 1 1 A 67 67 SER N N 67 119.156 116.835 2.321 1
1 663 . 5 1 1 A 68 68 LYS H H 68 8.880 7.917 0.963 1
1 664 . 5 1 1 A 68 68 LYS HA H 68 3.233 4.721 -1.488 1
1 671 . 5 1 1 A 68 68 LYS C C 68 176.440 176.266 0.174 1
1 672 . 5 1 1 A 68 68 LYS CA C 68 57.920 54.883 3.037 1
1 673 . 5 1 1 A 68 68 LYS CB C 68 31.822 34.934 -3.112 1
1 677 . 5 1 1 A 68 68 LYS N N 68 128.005 117.790 10.215 1
1 678 . 5 1 1 A 69 69 VAL H H 69 9.215 8.721 0.494 1
1 679 . 5 1 1 A 69 69 VAL HA H 69 4.185 4.542 -0.357 1
1 687 . 5 1 1 A 69 69 VAL C C 69 176.170 175.754 0.416 1
1 688 . 5 1 1 A 69 69 VAL CA C 69 62.860 60.849 2.011 1
1 689 . 5 1 1 A 69 69 VAL CB C 69 33.660 31.969 1.691 1
1 692 . 5 1 1 A 69 69 VAL N N 69 126.574 118.638 7.936 1
1 693 . 5 1 1 A 70 70 ALA H H 70 7.647 7.564 0.083 1
1 694 . 5 1 1 A 70 70 ALA HA H 70 4.614 4.153 0.461 1
1 698 . 5 1 1 A 70 70 ALA C C 70 175.170 177.575 -2.405 1
1 699 . 5 1 1 A 70 70 ALA CA C 70 52.400 51.420 0.980 1
1 700 . 5 1 1 A 70 70 ALA CB C 70 23.350 18.339 5.011 1
1 701 . 5 1 1 A 70 70 ALA N N 70 118.268 126.474 -8.206 1
1 702 . 5 1 1 A 71 71 VAL H H 71 8.428 8.499 -0.071 1
1 703 . 5 1 1 A 71 71 VAL HA H 71 4.216 3.798 0.418 1
1 711 . 5 1 1 A 71 71 VAL C C 71 175.810 175.571 0.239 1
1 712 . 5 1 1 A 71 71 VAL CA C 71 62.380 65.942 -3.562 1
1 713 . 5 1 1 A 71 71 VAL CB C 71 33.120 32.245 0.875 1
1 716 . 5 1 1 A 71 71 VAL N N 71 119.624 123.658 -4.034 1
1 717 . 5 1 1 A 72 72 LEU H H 72 8.333 7.754 0.579 1
1 718 . 5 1 1 A 72 72 LEU HA H 72 3.882 3.874 0.008 1
1 728 . 5 1 1 A 72 72 LEU C C 72 176.580 175.793 0.787 1
1 729 . 5 1 1 A 72 72 LEU CA C 72 54.600 56.028 -1.428 1
1 730 . 5 1 1 A 72 72 LEU CB C 72 37.880 39.820 -1.940 1
1 734 . 5 1 1 A 72 72 LEU N N 72 130.241 119.733 10.508 1
1 735 . 5 1 1 A 73 73 SER H H 73 7.865 7.864 0.001 1
1 736 . 5 1 1 A 73 73 SER HA H 73 4.304 4.661 -0.357 1
1 739 . 5 1 1 A 73 73 SER C C 73 173.470 174.796 -1.326 1
1 740 . 5 1 1 A 73 73 SER CA C 73 59.400 57.504 1.896 1
1 741 . 5 1 1 A 73 73 SER CB C 73 64.230 63.834 0.396 1
1 742 . 5 1 1 A 73 73 SER N N 73 116.577 112.950 3.627 1
1 743 . 5 1 1 A 74 74 ASP H H 74 7.553 8.057 -0.504 1
1 744 . 5 1 1 A 74 74 ASP HA H 74 4.858 4.912 -0.054 1
1 747 . 5 1 1 A 74 74 ASP C C 74 175.910 177.028 -1.118 1
1 748 . 5 1 1 A 74 74 ASP CA C 74 53.057 53.106 -0.049 1
1 749 . 5 1 1 A 74 74 ASP CB C 74 41.720 41.972 -0.252 1
1 750 . 5 1 1 A 74 74 ASP N N 74 120.482 118.339 2.143 1
1 751 . 5 1 1 A 75 75 ASP H H 75 8.601 8.439 0.162 1
1 752 . 5 1 1 A 75 75 ASP HA H 75 4.375 4.268 0.107 1
1 755 . 5 1 1 A 75 75 ASP C C 75 176.590 176.886 -0.296 1
1 756 . 5 1 1 A 75 75 ASP CA C 75 56.760 56.482 0.278 1
1 757 . 5 1 1 A 75 75 ASP CB C 75 41.310 39.304 2.006 1
1 758 . 5 1 1 A 75 75 ASP N N 75 125.434 121.508 3.926 1
1 759 . 5 1 1 A 76 76 SER H H 76 8.558 7.662 0.896 1
1 760 . 5 1 1 A 76 76 SER HA H 76 4.463 4.527 -0.064 1
1 763 . 5 1 1 A 76 76 SER C C 76 175.630 173.506 2.124 1
1 764 . 5 1 1 A 76 76 SER CA C 76 59.320 57.671 1.649 1
1 765 . 5 1 1 A 76 76 SER CB C 76 64.255 64.042 0.213 1
1 766 . 5 1 1 A 76 76 SER N N 76 112.502 108.809 3.693 1
1 767 . 5 1 1 A 77 77 ARG H H 77 7.381 7.434 -0.053 1
1 768 . 5 1 1 A 77 77 ARG HA H 77 4.318 4.638 -0.320 1
1 775 . 5 1 1 A 77 77 ARG CA C 77 53.260 53.315 -0.055 1
1 776 . 5 1 1 A 77 77 ARG CB C 77 30.880 30.734 0.146 1
1 779 . 5 1 1 A 77 77 ARG N N 77 123.368 121.517 1.851 1
1 780 . 5 1 1 A 78 78 PRO HA H 78 4.697 4.604 0.093 1
1 787 . 5 1 1 A 78 78 PRO C C 78 178.090 177.823 0.267 1
1 788 . 5 1 1 A 78 78 PRO CA C 78 61.970 63.039 -1.069 1
1 789 . 5 1 1 A 78 78 PRO CB C 78 31.380 31.772 -0.392 1
1 792 . 5 1 1 A 79 79 LEU H H 79 9.260 9.000 0.260 1
1 793 . 5 1 1 A 79 79 LEU HA H 79 4.099 4.224 -0.125 1
1 803 . 5 1 1 A 79 79 LEU C C 79 178.680 178.906 -0.226 1
1 804 . 5 1 1 A 79 79 LEU CA C 79 58.290 57.662 0.628 1
1 805 . 5 1 1 A 79 79 LEU CB C 79 42.160 41.979 0.181 1
1 809 . 5 1 1 A 79 79 LEU N N 79 124.739 126.589 -1.850 1
1 810 . 5 1 1 A 80 80 GLY H H 80 9.611 7.769 1.842 1
1 811 . 5 1 1 A 80 80 GLY HA2 H 80 4.003 3.881 0.122 1
1 812 . 5 1 1 A 80 80 GLY HA3 H 80 3.683 3.884 -0.201 1
1 813 . 5 1 1 A 80 80 GLY C C 80 175.850 175.518 0.332 1
1 814 . 5 1 1 A 80 80 GLY CA C 80 46.830 46.950 -0.120 1
1 815 . 5 1 1 A 80 80 GLY N N 80 102.276 107.118 -4.842 1
1 816 . 5 1 1 A 81 81 PHE H H 81 8.177 8.202 -0.025 1
1 817 . 5 1 1 A 81 81 PHE HA H 81 4.090 4.226 -0.136 1
1 822 . 5 1 1 A 81 81 PHE C C 81 175.810 177.669 -1.859 1
1 823 . 5 1 1 A 81 81 PHE CA C 81 60.560 60.534 0.026 1
1 824 . 5 1 1 A 81 81 PHE CB C 81 39.640 39.598 0.042 1
1 827 . 5 1 1 A 81 81 PHE N N 81 123.413 122.600 0.813 1
1 828 . 5 1 1 A 82 82 PHE H H 82 7.733 8.100 -0.367 1
1 829 . 5 1 1 A 82 82 PHE HA H 82 4.171 4.246 -0.075 1
1 834 . 5 1 1 A 82 82 PHE C C 82 172.960 175.322 -2.362 1
1 835 . 5 1 1 A 82 82 PHE CA C 82 57.730 60.773 -3.043 1
1 836 . 5 1 1 A 82 82 PHE CB C 82 38.670 39.721 -1.051 1
1 839 . 5 1 1 A 82 82 PHE N N 82 114.781 119.763 -4.982 1
1 840 . 5 1 1 A 83 83 SER H H 83 7.541 8.120 -0.579 1
1 841 . 5 1 1 A 83 83 SER HA H 83 3.898 4.029 -0.131 1
1 844 . 5 1 1 A 83 83 SER CA C 83 57.980 58.930 -0.950 1
1 845 . 5 1 1 A 83 83 SER CB C 83 61.882 61.379 0.503 1
1 846 . 5 1 1 A 83 83 SER N N 83 108.622 114.351 -5.729 1
1 847 . 5 1 1 A 85 85 PHE HA H 85 4.447 4.783 -0.336 1
1 854 . 5 1 1 A 85 85 PHE C C 85 173.640 175.725 -2.085 1
1 855 . 5 1 1 A 85 85 PHE CA C 85 55.600 56.811 -1.211 1
1 856 . 5 1 1 A 85 85 PHE CB C 85 42.180 40.491 1.689 1
1 861 . 5 1 1 A 86 86 ASP H H 86 8.469 8.629 -0.160 1
1 862 . 5 1 1 A 86 86 ASP HA H 86 4.934 4.934 0.000 1
1 865 . 5 1 1 A 86 86 ASP C C 86 177.910 176.975 0.935 1
1 866 . 5 1 1 A 86 86 ASP CA C 86 55.927 53.088 2.839 1
1 867 . 5 1 1 A 86 86 ASP CB C 86 41.109 40.944 0.165 1
1 868 . 5 1 1 A 86 86 ASP N N 86 119.276 118.603 0.673 1
1 869 . 5 1 1 A 87 87 GLY H H 87 9.163 7.869 1.294 1
1 870 . 5 1 1 A 87 87 GLY HA2 H 87 4.570 4.090 0.480 1
1 871 . 5 1 1 A 87 87 GLY HA3 H 87 3.701 4.229 -0.528 1
1 872 . 5 1 1 A 87 87 GLY C C 87 175.180 174.166 1.014 1
1 873 . 5 1 1 A 87 87 GLY CA C 87 45.540 45.462 0.078 1
1 874 . 5 1 1 A 87 87 GLY N N 87 109.579 107.992 1.587 1
1 875 . 5 1 1 A 88 88 PHE H H 88 8.270 7.832 0.438 1
1 876 . 5 1 1 A 88 88 PHE HA H 88 4.653 4.751 -0.098 1
1 883 . 5 1 1 A 88 88 PHE C C 88 172.620 175.794 -3.174 1
1 884 . 5 1 1 A 88 88 PHE CA C 88 57.570 58.557 -0.987 1
1 885 . 5 1 1 A 88 88 PHE CB C 88 38.750 40.091 -1.341 1
1 890 . 5 1 1 A 88 88 PHE N N 88 121.300 119.674 1.626 1
1 891 . 5 1 1 A 89 89 ARG H H 89 9.056 9.413 -0.357 1
1 892 . 5 1 1 A 89 89 ARG HA H 89 5.652 5.200 0.452 1
1 899 . 5 1 1 A 89 89 ARG C C 89 174.990 175.260 -0.270 1
1 900 . 5 1 1 A 89 89 ARG CA C 89 54.067 55.430 -1.363 1
1 901 . 5 1 1 A 89 89 ARG CB C 89 35.630 31.965 3.665 1
1 904 . 5 1 1 A 89 89 ARG N N 89 120.200 123.810 -3.610 1
1 905 . 5 1 1 A 90 90 LEU H H 90 9.487 9.624 -0.137 1
1 906 . 5 1 1 A 90 90 LEU HA H 90 5.244 4.739 0.505 1
1 916 . 5 1 1 A 90 90 LEU C C 90 173.050 175.193 -2.143 1
1 917 . 5 1 1 A 90 90 LEU CA C 90 53.250 54.352 -1.102 1
1 918 . 5 1 1 A 90 90 LEU CB C 90 44.870 40.923 3.947 1
1 922 . 5 1 1 A 90 90 LEU N N 90 128.373 126.538 1.835 1
1 923 . 5 1 1 A 91 91 HIS H H 91 9.474 8.977 0.497 1
1 924 . 5 1 1 A 91 91 HIS HA H 91 5.357 5.283 0.074 1
1 929 . 5 1 1 A 91 91 HIS C C 91 173.870 173.707 0.163 1
1 930 . 5 1 1 A 91 91 HIS CA C 91 54.320 54.477 -0.157 1
1 931 . 5 1 1 A 91 91 HIS CB C 91 36.070 30.709 5.361 1
1 934 . 5 1 1 A 91 91 HIS N N 91 125.565 125.357 0.208 1
1 935 . 5 1 1 A 92 92 ILE H H 92 8.341 8.525 -0.184 1
1 936 . 5 1 1 A 92 92 ILE HA H 92 4.045 3.990 0.055 1
1 946 . 5 1 1 A 92 92 ILE C C 92 173.350 175.702 -2.352 1
1 947 . 5 1 1 A 92 92 ILE CA C 92 61.380 62.449 -1.069 1
1 948 . 5 1 1 A 92 92 ILE CB C 92 40.040 37.961 2.079 1
1 952 . 5 1 1 A 92 92 ILE N N 92 126.939 128.427 -1.488 1
1 953 . 5 1 1 A 93 93 ILE H H 93 8.754 9.190 -0.436 1
1 954 . 5 1 1 A 93 93 ILE HA H 93 3.744 4.417 -0.673 1
1 964 . 5 1 1 A 93 93 ILE C C 93 174.450 175.017 -0.567 1
1 965 . 5 1 1 A 93 93 ILE CA C 93 60.480 60.808 -0.328 1
1 966 . 5 1 1 A 93 93 ILE CB C 93 41.250 36.721 4.529 1
1 970 . 5 1 1 A 93 93 ILE N N 93 126.486 129.223 -2.737 1
1 971 . 5 1 1 A 94 94 ASP H H 94 7.976 7.905 0.071 1
1 972 . 5 1 1 A 94 94 ASP HA H 94 4.881 4.840 0.041 1
1 975 . 5 1 1 A 94 94 ASP C C 94 176.710 175.325 1.385 1
1 976 . 5 1 1 A 94 94 ASP CA C 94 52.170 54.026 -1.856 1
1 977 . 5 1 1 A 94 94 ASP CB C 94 42.000 40.581 1.419 1
1 978 . 5 1 1 A 94 94 ASP N N 94 124.752 128.351 -3.599 1
1 979 . 5 1 1 A 95 95 LEU H H 95 9.218 8.647 0.571 1
1 980 . 5 1 1 A 95 95 LEU HA H 95 4.111 4.815 -0.704 1
1 990 . 5 1 1 A 95 95 LEU C C 95 177.230 175.776 1.454 1
1 991 . 5 1 1 A 95 95 LEU CA C 95 55.553 53.648 1.905 1
1 992 . 5 1 1 A 95 95 LEU CB C 95 42.380 43.473 -1.093 1
1 996 . 5 1 1 A 95 95 LEU N N 95 126.286 125.256 1.030 1
1 997 . 5 1 1 A 96 96 ASP H H 96 8.762 8.420 0.342 1
1 998 . 5 1 1 A 96 96 ASP HA H 96 4.946 4.769 0.177 1
1 1001 . 5 1 1 A 96 96 ASP CA C 96 52.598 52.279 0.319 1
1 1002 . 5 1 1 A 96 96 ASP CB C 96 41.400 41.027 0.373 1
1 1 . 6 1 1 A 10 10 HIS HA H 10 4.439 4.552 -0.113 1
1 4 . 6 1 1 A 10 10 HIS CA C 10 55.740 57.638 -1.898 1
1 5 . 6 1 1 A 10 10 HIS CB C 10 32.490 30.616 1.874 1
1 6 . 6 1 1 A 11 11 GLY H H 11 8.463 8.159 0.304 1
1 7 . 6 1 1 A 11 11 GLY HA2 H 11 3.930 3.694 0.236 1
1 8 . 6 1 1 A 11 11 GLY HA3 H 11 3.989 3.752 0.237 1
1 9 . 6 1 1 A 11 11 GLY C C 11 173.720 174.682 -0.962 1
1 10 . 6 1 1 A 11 11 GLY CA C 11 45.450 47.126 -1.676 1
1 11 . 6 1 1 A 11 11 GLY N N 11 110.200 106.944 3.256 1
1 12 . 6 1 1 A 12 12 ASP H H 12 8.174 8.036 0.138 1
1 13 . 6 1 1 A 12 12 ASP HA H 12 4.656 4.375 0.281 1
1 16 . 6 1 1 A 12 12 ASP C C 12 174.950 175.808 -0.858 1
1 17 . 6 1 1 A 12 12 ASP CA C 12 54.140 55.155 -1.015 1
1 18 . 6 1 1 A 12 12 ASP CB C 12 41.370 39.692 1.678 1
1 19 . 6 1 1 A 12 12 ASP N N 12 120.300 119.942 0.358 1
1 20 . 6 1 1 A 13 13 ASP H H 13 8.405 7.974 0.431 1
1 21 . 6 1 1 A 13 13 ASP HA H 13 4.630 4.415 0.215 1
1 24 . 6 1 1 A 13 13 ASP C C 13 176.040 177.102 -1.062 1
1 25 . 6 1 1 A 13 13 ASP CA C 13 53.910 56.535 -2.625 1
1 26 . 6 1 1 A 13 13 ASP CB C 13 40.840 40.379 0.461 1
1 27 . 6 1 1 A 13 13 ASP N N 13 121.700 117.463 4.237 1
1 28 . 6 1 1 A 14 14 SER H H 14 8.120 7.690 0.430 1
1 29 . 6 1 1 A 14 14 SER HA H 14 4.570 4.620 -0.050 1
1 32 . 6 1 1 A 14 14 SER C C 14 173.350 174.292 -0.942 1
1 33 . 6 1 1 A 14 14 SER CA C 14 59.250 60.121 -0.871 1
1 34 . 6 1 1 A 14 14 SER CB C 14 64.956 63.681 1.275 1
1 35 . 6 1 1 A 14 14 SER N N 14 114.400 116.479 -2.079 1
1 36 . 6 1 1 A 15 15 VAL H H 15 8.859 8.015 0.844 1
1 37 . 6 1 1 A 15 15 VAL HA H 15 4.754 4.002 0.752 1
1 45 . 6 1 1 A 15 15 VAL C C 15 174.290 175.674 -1.384 1
1 46 . 6 1 1 A 15 15 VAL CA C 15 59.546 61.894 -2.348 1
1 47 . 6 1 1 A 15 15 VAL CB C 15 34.830 32.783 2.047 1
1 50 . 6 1 1 A 15 15 VAL N N 15 118.659 123.803 -5.144 1
1 51 . 6 1 1 A 16 16 HIS H H 16 9.376 9.233 0.143 1
1 52 . 6 1 1 A 16 16 HIS HA H 16 5.030 4.908 0.122 1
1 56 . 6 1 1 A 16 16 HIS C C 16 173.700 174.695 -0.995 1
1 57 . 6 1 1 A 16 16 HIS CA C 16 54.914 55.197 -0.283 1
1 58 . 6 1 1 A 16 16 HIS CB C 16 30.300 28.426 1.874 1
1 60 . 6 1 1 A 16 16 HIS N N 16 126.974 123.780 3.194 1
1 61 . 6 1 1 A 17 17 LEU H H 17 8.888 8.409 0.479 1
1 62 . 6 1 1 A 17 17 LEU HA H 17 5.100 5.017 0.083 1
1 72 . 6 1 1 A 17 17 LEU C C 17 175.750 176.133 -0.383 1
1 73 . 6 1 1 A 17 17 LEU CA C 17 53.160 53.828 -0.668 1
1 74 . 6 1 1 A 17 17 LEU CB C 17 44.890 42.393 2.497 1
1 78 . 6 1 1 A 17 17 LEU N N 17 126.426 125.097 1.329 1
1 79 . 6 1 1 A 18 18 HIS H H 18 8.610 9.249 -0.639 1
1 80 . 6 1 1 A 18 18 HIS HA H 18 5.191 4.856 0.335 1
1 84 . 6 1 1 A 18 18 HIS C C 18 174.120 174.995 -0.875 1
1 85 . 6 1 1 A 18 18 HIS CA C 18 55.120 55.706 -0.586 1
1 86 . 6 1 1 A 18 18 HIS CB C 18 31.000 30.665 0.335 1
1 88 . 6 1 1 A 18 18 HIS N N 18 120.309 124.346 -4.037 1
1 89 . 6 1 1 A 19 19 ILE H H 19 9.050 8.850 0.200 1
1 90 . 6 1 1 A 19 19 ILE HA H 19 5.704 4.438 1.266 1
1 100 . 6 1 1 A 19 19 ILE C C 19 175.890 175.621 0.269 1
1 101 . 6 1 1 A 19 19 ILE CA C 19 60.250 61.309 -1.059 1
1 102 . 6 1 1 A 19 19 ILE CB C 19 40.500 37.836 2.664 1
1 106 . 6 1 1 A 19 19 ILE N N 19 123.672 125.039 -1.367 1
1 107 . 6 1 1 A 20 20 THR H H 20 9.224 9.659 -0.435 1
1 108 . 6 1 1 A 20 20 THR HA H 20 4.970 4.953 0.017 1
1 110 . 6 1 1 A 20 20 THR C C 20 172.920 173.861 -0.941 1
1 111 . 6 1 1 A 20 20 THR CA C 20 60.960 62.002 -1.042 1
1 112 . 6 1 1 A 20 20 THR CB C 20 71.732 68.761 2.971 1
1 114 . 6 1 1 A 20 20 THR N N 20 117.905 123.321 -5.416 1
1 115 . 6 1 1 A 21 21 HIS H H 21 9.755 9.073 0.682 1
1 116 . 6 1 1 A 21 21 HIS HA H 21 5.053 4.855 0.198 1
1 121 . 6 1 1 A 21 21 HIS C C 21 175.830 175.739 0.091 1
1 122 . 6 1 1 A 21 21 HIS CA C 21 55.561 56.099 -0.538 1
1 123 . 6 1 1 A 21 21 HIS CB C 21 36.450 31.308 5.142 1
1 126 . 6 1 1 A 21 21 HIS N N 21 122.170 127.267 -5.097 1
1 127 . 6 1 1 A 22 22 ALA H H 22 9.098 8.404 0.694 1
1 128 . 6 1 1 A 22 22 ALA HA H 22 4.116 4.018 0.098 1
1 132 . 6 1 1 A 22 22 ALA C C 22 178.340 179.709 -1.369 1
1 133 . 6 1 1 A 22 22 ALA CA C 22 54.670 55.351 -0.681 1
1 134 . 6 1 1 A 22 22 ALA CB C 22 20.870 18.365 2.505 1
1 135 . 6 1 1 A 22 22 ALA N N 22 128.332 129.762 -1.430 1
1 136 . 6 1 1 A 23 23 ASN H H 23 10.395 8.180 2.215 1
1 137 . 6 1 1 A 23 23 ASN HA H 23 5.066 4.374 0.692 1
1 142 . 6 1 1 A 23 23 ASN C C 23 175.090 176.186 -1.096 1
1 143 . 6 1 1 A 23 23 ASN CA C 23 53.649 56.471 -2.822 1
1 144 . 6 1 1 A 23 23 ASN CB C 23 41.160 38.334 2.826 1
1 145 . 6 1 1 A 23 23 ASN N N 23 116.400 117.397 -0.997 1
1 147 . 6 1 1 A 24 24 LEU H H 24 7.752 7.684 0.068 1
1 148 . 6 1 1 A 24 24 LEU HA H 24 4.637 4.508 0.129 1
1 157 . 6 1 1 A 24 24 LEU C C 24 176.810 177.179 -0.369 1
1 158 . 6 1 1 A 24 24 LEU CA C 24 53.380 54.506 -1.126 1
1 159 . 6 1 1 A 24 24 LEU CB C 24 41.630 40.514 1.116 1
1 162 . 6 1 1 A 24 24 LEU N N 24 122.870 120.054 2.816 1
1 163 . 6 1 1 A 25 25 LYS H H 25 8.491 8.458 0.033 1
1 164 . 6 1 1 A 25 25 LYS HA H 25 4.196 4.499 -0.303 1
1 171 . 6 1 1 A 25 25 LYS C C 25 177.530 177.022 0.508 1
1 172 . 6 1 1 A 25 25 LYS CA C 25 59.270 58.282 0.988 1
1 173 . 6 1 1 A 25 25 LYS CB C 25 32.300 32.083 0.217 1
1 177 . 6 1 1 A 25 25 LYS N N 25 124.310 123.047 1.263 1
1 178 . 6 1 1 A 26 26 SER H H 26 8.512 7.980 0.532 1
1 179 . 6 1 1 A 26 26 SER HA H 26 4.513 4.614 -0.101 1
1 182 . 6 1 1 A 26 26 SER C C 26 174.090 174.339 -0.249 1
1 183 . 6 1 1 A 26 26 SER CA C 26 58.200 58.228 -0.028 1
1 184 . 6 1 1 A 26 26 SER CB C 26 63.487 63.796 -0.309 1
1 185 . 6 1 1 A 26 26 SER N N 26 111.482 115.038 -3.556 1
1 186 . 6 1 1 A 27 27 PHE H H 27 7.723 8.086 -0.363 1
1 187 . 6 1 1 A 27 27 PHE HA H 27 4.463 4.895 -0.432 1
1 194 . 6 1 1 A 27 27 PHE C C 27 175.270 173.973 1.297 1
1 195 . 6 1 1 A 27 27 PHE CA C 27 59.290 56.254 3.036 1
1 196 . 6 1 1 A 27 27 PHE CB C 27 40.440 39.411 1.029 1
1 201 . 6 1 1 A 27 27 PHE N N 27 123.451 123.306 0.145 1
1 202 . 6 1 1 A 28 28 SER H H 28 7.702 8.793 -1.091 1
1 203 . 6 1 1 A 28 28 SER HA H 28 4.630 4.776 -0.146 1
1 206 . 6 1 1 A 28 28 SER C C 28 172.060 173.642 -1.582 1
1 207 . 6 1 1 A 28 28 SER CA C 28 57.700 58.245 -0.545 1
1 208 . 6 1 1 A 28 28 SER CB C 28 64.600 63.475 1.125 1
1 209 . 6 1 1 A 28 28 SER N N 28 123.039 123.714 -0.675 1
1 210 . 6 1 1 A 29 29 ALA H H 29 8.154 8.985 -0.831 1
1 211 . 6 1 1 A 29 29 ALA HA H 29 4.655 5.021 -0.366 1
1 215 . 6 1 1 A 29 29 ALA C C 29 174.090 175.549 -1.459 1
1 216 . 6 1 1 A 29 29 ALA CA C 29 51.300 49.990 1.310 1
1 217 . 6 1 1 A 29 29 ALA CB C 29 22.900 22.470 0.430 1
1 218 . 6 1 1 A 29 29 ALA N N 29 124.700 128.207 -3.507 1
1 219 . 6 1 1 A 30 30 ASP H H 30 8.395 9.012 -0.617 1
1 220 . 6 1 1 A 30 30 ASP HA H 30 5.532 5.319 0.213 1
1 223 . 6 1 1 A 30 30 ASP C C 30 174.320 174.398 -0.078 1
1 224 . 6 1 1 A 30 30 ASP CA C 30 53.870 52.247 1.623 1
1 225 . 6 1 1 A 30 30 ASP CB C 30 44.420 44.435 -0.015 1
1 226 . 6 1 1 A 30 30 ASP N N 30 117.900 118.636 -0.736 1
1 227 . 6 1 1 A 31 31 ALA H H 31 8.866 9.140 -0.274 1
1 228 . 6 1 1 A 31 31 ALA HA H 31 4.554 4.669 -0.115 1
1 232 . 6 1 1 A 31 31 ALA C C 31 174.240 176.416 -2.176 1
1 233 . 6 1 1 A 31 31 ALA CA C 31 51.710 51.322 0.388 1
1 234 . 6 1 1 A 31 31 ALA CB C 31 22.710 19.528 3.182 1
1 235 . 6 1 1 A 31 31 ALA N N 31 121.463 124.315 -2.852 1
1 236 . 6 1 1 A 32 32 ARG H H 32 8.056 8.189 -0.133 1
1 237 . 6 1 1 A 32 32 ARG HA H 32 5.232 4.826 0.406 1
1 244 . 6 1 1 A 32 32 ARG C C 32 175.610 175.067 0.543 1
1 245 . 6 1 1 A 32 32 ARG CA C 32 54.780 55.339 -0.559 1
1 246 . 6 1 1 A 32 32 ARG CB C 32 31.840 30.494 1.346 1
1 249 . 6 1 1 A 32 32 ARG N N 32 119.065 121.221 -2.156 1
1 250 . 6 1 1 A 33 33 PHE H H 33 8.787 8.850 -0.063 1
1 251 . 6 1 1 A 33 33 PHE HA H 33 4.900 4.892 0.008 1
1 258 . 6 1 1 A 33 33 PHE C C 33 175.050 175.484 -0.434 1
1 259 . 6 1 1 A 33 33 PHE CA C 33 55.790 56.697 -0.907 1
1 260 . 6 1 1 A 33 33 PHE CB C 33 43.300 43.067 0.233 1
1 265 . 6 1 1 A 33 33 PHE N N 33 119.356 123.686 -4.330 1
1 266 . 6 1 1 A 34 34 SER H H 34 8.361 9.009 -0.648 1
1 267 . 6 1 1 A 34 34 SER HA H 34 4.910 4.600 0.310 1
1 268 . 6 1 1 A 34 34 SER CA C 34 55.270 57.564 -2.294 1
1 269 . 6 1 1 A 34 34 SER CB C 34 64.310 62.914 1.396 1
1 270 . 6 1 1 A 34 34 SER N N 34 118.000 119.995 -1.995 1
1 271 . 6 1 1 A 35 35 PRO HA H 35 4.183 4.507 -0.324 1
1 278 . 6 1 1 A 35 35 PRO C C 35 176.460 177.069 -0.609 1
1 279 . 6 1 1 A 35 35 PRO CA C 35 64.120 63.864 0.256 1
1 280 . 6 1 1 A 35 35 PRO CB C 35 32.140 31.935 0.205 1
1 283 . 6 1 1 A 36 36 GLN H H 36 8.013 8.380 -0.367 1
1 284 . 6 1 1 A 36 36 GLN HA H 36 4.278 4.334 -0.056 1
1 291 . 6 1 1 A 36 36 GLN C C 36 176.630 175.480 1.150 1
1 292 . 6 1 1 A 36 36 GLN CA C 36 56.600 56.669 -0.069 1
1 293 . 6 1 1 A 36 36 GLN CB C 36 29.380 29.215 0.165 1
1 295 . 6 1 1 A 36 36 GLN N N 36 114.700 118.493 -3.793 1
1 297 . 6 1 1 A 37 37 MET H H 37 7.628 7.291 0.337 1
1 298 . 6 1 1 A 37 37 MET HA H 37 4.314 4.747 -0.433 1
1 303 . 6 1 1 A 37 37 MET C C 37 174.480 175.638 -1.158 1
1 304 . 6 1 1 A 37 37 MET CA C 37 56.260 54.279 1.981 1
1 305 . 6 1 1 A 37 37 MET CB C 37 34.890 34.935 -0.045 1
1 307 . 6 1 1 A 37 37 MET N N 37 120.895 121.426 -0.531 1
1 308 . 6 1 1 A 38 38 SER H H 38 8.740 8.828 -0.088 1
1 309 . 6 1 1 A 38 38 SER HA H 38 4.650 5.006 -0.356 1
1 312 . 6 1 1 A 38 38 SER C C 38 175.320 175.364 -0.044 1
1 313 . 6 1 1 A 38 38 SER CA C 38 57.555 56.229 1.326 1
1 314 . 6 1 1 A 38 38 SER CB C 38 64.800 65.458 -0.658 1
1 315 . 6 1 1 A 38 38 SER N N 38 119.800 115.963 3.837 1
1 316 . 6 1 1 A 39 39 VAL H H 39 8.619 8.500 0.119 1
1 317 . 6 1 1 A 39 39 VAL HA H 39 3.405 3.904 -0.499 1
1 325 . 6 1 1 A 39 39 VAL C C 39 177.950 177.137 0.813 1
1 326 . 6 1 1 A 39 39 VAL CA C 39 68.010 64.827 3.183 1
1 327 . 6 1 1 A 39 39 VAL CB C 39 31.830 31.866 -0.036 1
1 330 . 6 1 1 A 39 39 VAL N N 39 122.324 122.757 -0.433 1
1 331 . 6 1 1 A 40 40 GLU H H 40 8.737 7.990 0.747 1
1 332 . 6 1 1 A 40 40 GLU HA H 40 3.743 3.891 -0.148 1
1 337 . 6 1 1 A 40 40 GLU C C 40 177.450 178.263 -0.813 1
1 338 . 6 1 1 A 40 40 GLU CA C 40 60.570 59.399 1.171 1
1 339 . 6 1 1 A 40 40 GLU CB C 40 30.000 29.376 0.624 1
1 341 . 6 1 1 A 40 40 GLU N N 40 120.358 121.255 -0.897 1
1 342 . 6 1 1 A 41 41 ALA H H 41 8.056 7.701 0.355 1
1 343 . 6 1 1 A 41 41 ALA HA H 41 4.275 4.094 0.181 1
1 347 . 6 1 1 A 41 41 ALA C C 41 181.560 179.280 2.280 1
1 348 . 6 1 1 A 41 41 ALA CA C 41 55.080 54.028 1.052 1
1 349 . 6 1 1 A 41 41 ALA CB C 41 18.570 18.252 0.318 1
1 350 . 6 1 1 A 41 41 ALA N N 41 123.045 120.939 2.106 1
1 351 . 6 1 1 A 42 42 VAL H H 42 8.519 7.548 0.971 1
1 352 . 6 1 1 A 42 42 VAL HA H 42 3.456 3.945 -0.489 1
1 360 . 6 1 1 A 42 42 VAL C C 42 177.950 177.946 0.004 1
1 361 . 6 1 1 A 42 42 VAL CA C 42 67.440 64.142 3.298 1
1 362 . 6 1 1 A 42 42 VAL CB C 42 31.370 32.471 -1.101 1
1 365 . 6 1 1 A 42 42 VAL N N 42 122.576 117.486 5.090 1
1 366 . 6 1 1 A 43 43 LYS H H 43 8.660 7.608 1.052 1
1 367 . 6 1 1 A 43 43 LYS HA H 43 3.905 3.882 0.023 1
1 374 . 6 1 1 A 43 43 LYS C C 43 178.490 178.846 -0.356 1
1 375 . 6 1 1 A 43 43 LYS CA C 43 61.080 60.304 0.776 1
1 376 . 6 1 1 A 43 43 LYS CB C 43 33.450 32.421 1.029 1
1 380 . 6 1 1 A 43 43 LYS N N 43 118.752 122.361 -3.609 1
1 381 . 6 1 1 A 44 44 GLU H H 44 8.109 8.043 0.066 1
1 382 . 6 1 1 A 44 44 GLU HA H 44 4.100 4.109 -0.009 1
1 387 . 6 1 1 A 44 44 GLU C C 44 178.760 179.242 -0.482 1
1 388 . 6 1 1 A 44 44 GLU CA C 44 60.560 59.364 1.196 1
1 389 . 6 1 1 A 44 44 GLU CB C 44 29.700 29.263 0.437 1
1 391 . 6 1 1 A 44 44 GLU N N 44 118.904 119.889 -0.985 1
1 392 . 6 1 1 A 45 45 LYS H H 45 7.868 7.835 0.033 1
1 393 . 6 1 1 A 45 45 LYS HA H 45 4.147 4.210 -0.063 1
1 400 . 6 1 1 A 45 45 LYS C C 45 180.020 179.343 0.677 1
1 401 . 6 1 1 A 45 45 LYS CA C 45 59.210 58.794 0.416 1
1 402 . 6 1 1 A 45 45 LYS CB C 45 32.540 31.928 0.612 1
1 406 . 6 1 1 A 45 45 LYS N N 45 118.353 119.770 -1.417 1
1 407 . 6 1 1 A 46 46 LEU H H 46 8.538 7.965 0.573 1
1 408 . 6 1 1 A 46 46 LEU HA H 46 4.147 4.122 0.025 1
1 418 . 6 1 1 A 46 46 LEU C C 46 179.950 179.346 0.604 1
1 419 . 6 1 1 A 46 46 LEU CA C 46 57.900 57.837 0.063 1
1 420 . 6 1 1 A 46 46 LEU CB C 46 40.800 42.230 -1.430 1
1 424 . 6 1 1 A 46 46 LEU N N 46 118.568 119.204 -0.636 1
1 425 . 6 1 1 A 47 47 TRP H H 47 9.308 8.426 0.882 1
1 426 . 6 1 1 A 47 47 TRP HA H 47 4.636 4.163 0.473 1
1 435 . 6 1 1 A 47 47 TRP C C 47 179.040 178.556 0.484 1
1 436 . 6 1 1 A 47 47 TRP CA C 47 60.312 60.632 -0.320 1
1 437 . 6 1 1 A 47 47 TRP CB C 47 28.080 30.005 -1.925 1
1 443 . 6 1 1 A 47 47 TRP N N 47 127.808 120.823 6.985 1
1 445 . 6 1 1 A 48 48 LYS H H 48 7.362 8.404 -1.042 1
1 446 . 6 1 1 A 48 48 LYS HA H 48 3.238 3.780 -0.542 1
1 453 . 6 1 1 A 48 48 LYS C C 48 177.660 178.203 -0.543 1
1 454 . 6 1 1 A 48 48 LYS CA C 48 58.360 58.099 0.261 1
1 455 . 6 1 1 A 48 48 LYS CB C 48 32.090 31.957 0.133 1
1 459 . 6 1 1 A 48 48 LYS N N 48 118.583 118.237 0.346 1
1 460 . 6 1 1 A 49 49 LYS H H 49 7.339 7.861 -0.522 1
1 461 . 6 1 1 A 49 49 LYS HA H 49 4.388 4.253 0.135 1
1 468 . 6 1 1 A 49 49 LYS C C 49 177.120 178.475 -1.355 1
1 469 . 6 1 1 A 49 49 LYS CA C 49 57.469 58.211 -0.742 1
1 470 . 6 1 1 A 49 49 LYS CB C 49 33.990 33.174 0.816 1
1 474 . 6 1 1 A 49 49 LYS N N 49 114.530 119.185 -4.655 1
1 475 . 6 1 1 A 50 50 CYS H H 50 8.092 8.044 0.048 1
1 476 . 6 1 1 A 50 50 CYS HA H 50 4.880 4.408 0.472 1
1 479 . 6 1 1 A 50 50 CYS C C 50 174.560 175.054 -0.494 1
1 480 . 6 1 1 A 50 50 CYS CA C 50 57.213 59.582 -2.369 1
1 481 . 6 1 1 A 50 50 CYS CB C 50 31.470 28.055 3.415 1
1 482 . 6 1 1 A 50 50 CYS N N 50 110.536 115.713 -5.177 1
1 483 . 6 1 1 A 51 51 GLY H H 51 8.644 7.762 0.882 1
1 484 . 6 1 1 A 51 51 GLY HA2 H 51 4.248 3.564 0.684 1
1 485 . 6 1 1 A 51 51 GLY HA3 H 51 3.650 3.770 -0.120 1
1 486 . 6 1 1 A 51 51 GLY C C 51 173.800 173.868 -0.068 1
1 487 . 6 1 1 A 51 51 GLY CA C 51 46.390 44.866 1.524 1
1 488 . 6 1 1 A 51 51 GLY N N 51 113.666 108.608 5.058 1
1 489 . 6 1 1 A 52 52 THR H H 52 7.781 7.856 -0.075 1
1 490 . 6 1 1 A 52 52 THR HA H 52 4.277 4.516 -0.239 1
1 495 . 6 1 1 A 52 52 THR C C 52 172.080 174.139 -2.059 1
1 496 . 6 1 1 A 52 52 THR CA C 52 63.630 60.972 2.658 1
1 497 . 6 1 1 A 52 52 THR CB C 52 69.720 70.407 -0.687 1
1 499 . 6 1 1 A 52 52 THR N N 52 121.643 116.219 5.424 1
1 500 . 6 1 1 A 53 53 SER H H 53 8.606 9.067 -0.461 1
1 501 . 6 1 1 A 53 53 SER HA H 53 3.775 4.944 -1.169 1
1 504 . 6 1 1 A 53 53 SER C C 53 175.890 175.588 0.302 1
1 505 . 6 1 1 A 53 53 SER CA C 53 58.590 58.750 -0.160 1
1 506 . 6 1 1 A 53 53 SER CB C 53 63.620 63.703 -0.083 1
1 507 . 6 1 1 A 53 53 SER N N 53 120.903 121.100 -0.197 1
1 508 . 6 1 1 A 54 54 VAL H H 54 7.895 8.842 -0.947 1
1 509 . 6 1 1 A 54 54 VAL HA H 54 3.563 3.978 -0.415 1
1 517 . 6 1 1 A 54 54 VAL C C 54 178.260 177.407 0.853 1
1 518 . 6 1 1 A 54 54 VAL CA C 54 66.600 64.750 1.850 1
1 519 . 6 1 1 A 54 54 VAL CB C 54 31.630 31.490 0.140 1
1 522 . 6 1 1 A 54 54 VAL N N 54 121.121 124.598 -3.477 1
1 523 . 6 1 1 A 55 55 ASN H H 55 8.148 8.236 -0.088 1
1 524 . 6 1 1 A 55 55 ASN HA H 55 4.496 4.507 -0.011 1
1 529 . 6 1 1 A 55 55 ASN C C 55 175.640 176.284 -0.644 1
1 530 . 6 1 1 A 55 55 ASN CA C 55 54.875 55.395 -0.520 1
1 531 . 6 1 1 A 55 55 ASN CB C 55 38.120 38.516 -0.396 1
1 532 . 6 1 1 A 55 55 ASN N N 55 115.018 120.265 -5.247 1
1 534 . 6 1 1 A 56 56 SER H H 56 7.559 7.723 -0.164 1
1 535 . 6 1 1 A 56 56 SER HA H 56 4.585 4.646 -0.061 1
1 538 . 6 1 1 A 56 56 SER C C 56 171.180 174.471 -3.291 1
1 539 . 6 1 1 A 56 56 SER CA C 56 57.260 58.295 -1.035 1
1 540 . 6 1 1 A 56 56 SER CB C 56 64.260 63.950 0.310 1
1 541 . 6 1 1 A 56 56 SER N N 56 114.545 113.435 1.110 1
1 542 . 6 1 1 A 57 57 MET H H 57 7.177 7.578 -0.401 1
1 543 . 6 1 1 A 57 57 MET HA H 57 4.785 4.527 0.258 1
1 548 . 6 1 1 A 57 57 MET C C 57 175.400 174.849 0.551 1
1 549 . 6 1 1 A 57 57 MET CA C 57 55.631 54.424 1.207 1
1 550 . 6 1 1 A 57 57 MET CB C 57 36.740 32.989 3.751 1
1 552 . 6 1 1 A 57 57 MET N N 57 120.883 122.019 -1.136 1
1 553 . 6 1 1 A 58 58 ALA H H 58 9.226 8.556 0.670 1
1 554 . 6 1 1 A 58 58 ALA HA H 58 4.723 4.626 0.097 1
1 558 . 6 1 1 A 58 58 ALA C C 58 175.360 176.326 -0.966 1
1 559 . 6 1 1 A 58 58 ALA CA C 58 50.327 51.651 -1.324 1
1 560 . 6 1 1 A 58 58 ALA CB C 58 21.580 19.413 2.167 1
1 561 . 6 1 1 A 58 58 ALA N N 58 129.559 129.893 -0.334 1
1 562 . 6 1 1 A 59 59 LEU H H 59 8.307 8.986 -0.679 1
1 563 . 6 1 1 A 59 59 LEU HA H 59 5.393 4.836 0.557 1
1 573 . 6 1 1 A 59 59 LEU C C 59 175.470 175.169 0.301 1
1 574 . 6 1 1 A 59 59 LEU CA C 59 52.970 53.434 -0.464 1
1 575 . 6 1 1 A 59 59 LEU CB C 59 47.410 42.791 4.619 1
1 579 . 6 1 1 A 59 59 LEU N N 59 118.793 124.521 -5.728 1
1 580 . 6 1 1 A 60 60 GLU H H 60 8.978 9.103 -0.125 1
1 581 . 6 1 1 A 60 60 GLU HA H 60 4.789 4.512 0.277 1
1 586 . 6 1 1 A 60 60 GLU C C 60 173.670 174.648 -0.978 1
1 587 . 6 1 1 A 60 60 GLU CA C 60 54.246 55.566 -1.320 1
1 588 . 6 1 1 A 60 60 GLU CB C 60 35.470 29.749 5.721 1
1 590 . 6 1 1 A 60 60 GLU N N 60 121.100 124.757 -3.657 1
1 591 . 6 1 1 A 61 61 LEU H H 61 8.651 8.690 -0.039 1
1 592 . 6 1 1 A 61 61 LEU HA H 61 5.541 4.729 0.812 1
1 602 . 6 1 1 A 61 61 LEU C C 61 174.270 174.581 -0.311 1
1 603 . 6 1 1 A 61 61 LEU CA C 61 53.120 53.882 -0.762 1
1 604 . 6 1 1 A 61 61 LEU CB C 61 46.890 42.390 4.500 1
1 608 . 6 1 1 A 61 61 LEU N N 61 122.689 128.064 -5.375 1
1 609 . 6 1 1 A 62 62 TYR H H 62 10.028 8.759 1.269 1
1 610 . 6 1 1 A 62 62 TYR HA H 62 5.096 4.922 0.174 1
1 617 . 6 1 1 A 62 62 TYR C C 62 175.180 176.596 -1.416 1
1 618 . 6 1 1 A 62 62 TYR CA C 62 56.520 57.913 -1.393 1
1 619 . 6 1 1 A 62 62 TYR CB C 62 42.520 39.863 2.657 1
1 624 . 6 1 1 A 62 62 TYR N N 62 126.875 126.549 0.326 1
1 625 . 6 1 1 A 63 63 ASP H H 63 8.573 8.712 -0.139 1
1 626 . 6 1 1 A 63 63 ASP HA H 63 2.824 5.064 -2.240 1
1 629 . 6 1 1 A 63 63 ASP C C 63 176.470 176.552 -0.082 1
1 630 . 6 1 1 A 63 63 ASP CA C 63 51.490 53.452 -1.962 1
1 631 . 6 1 1 A 63 63 ASP CB C 63 41.490 40.672 0.818 1
1 632 . 6 1 1 A 63 63 ASP N N 63 118.563 120.901 -2.338 1
1 633 . 6 1 1 A 64 64 ASP H H 64 8.319 8.384 -0.065 1
1 634 . 6 1 1 A 64 64 ASP HA H 64 4.396 4.594 -0.198 1
1 637 . 6 1 1 A 64 64 ASP C C 64 176.670 176.538 0.132 1
1 638 . 6 1 1 A 64 64 ASP CA C 64 55.270 55.617 -0.347 1
1 639 . 6 1 1 A 64 64 ASP CB C 64 39.540 40.537 -0.997 1
1 640 . 6 1 1 A 64 64 ASP N N 64 114.728 119.814 -5.086 1
1 641 . 6 1 1 A 65 65 SER H H 65 8.305 8.347 -0.042 1
1 642 . 6 1 1 A 65 65 SER HA H 65 4.640 4.385 0.255 1
1 645 . 6 1 1 A 65 65 SER C C 65 174.700 174.875 -0.175 1
1 646 . 6 1 1 A 65 65 SER CA C 65 58.550 59.449 -0.899 1
1 647 . 6 1 1 A 65 65 SER CB C 65 64.393 64.583 -0.190 1
1 648 . 6 1 1 A 65 65 SER N N 65 115.837 111.382 4.455 1
1 649 . 6 1 1 A 66 66 GLY H H 66 7.876 7.574 0.302 1
1 650 . 6 1 1 A 66 66 GLY HA2 H 66 4.284 3.761 0.523 1
1 651 . 6 1 1 A 66 66 GLY HA3 H 66 3.679 3.934 -0.255 1
1 652 . 6 1 1 A 66 66 GLY C C 66 174.550 174.274 0.276 1
1 653 . 6 1 1 A 66 66 GLY CA C 66 45.570 45.010 0.560 1
1 654 . 6 1 1 A 66 66 GLY N N 66 109.151 110.056 -0.905 1
1 655 . 6 1 1 A 67 67 SER H H 67 8.416 7.932 0.484 1
1 656 . 6 1 1 A 67 67 SER HA H 67 4.583 4.661 -0.078 1
1 659 . 6 1 1 A 67 67 SER C C 67 173.680 174.414 -0.734 1
1 660 . 6 1 1 A 67 67 SER CA C 67 58.070 58.340 -0.270 1
1 661 . 6 1 1 A 67 67 SER CB C 67 63.300 64.577 -1.277 1
1 662 . 6 1 1 A 67 67 SER N N 67 119.156 117.641 1.515 1
1 663 . 6 1 1 A 68 68 LYS H H 68 8.880 8.601 0.279 1
1 664 . 6 1 1 A 68 68 LYS HA H 68 3.233 4.957 -1.724 1
1 671 . 6 1 1 A 68 68 LYS C C 68 176.440 176.838 -0.398 1
1 672 . 6 1 1 A 68 68 LYS CA C 68 57.920 56.033 1.887 1
1 673 . 6 1 1 A 68 68 LYS CB C 68 31.822 32.994 -1.172 1
1 677 . 6 1 1 A 68 68 LYS N N 68 128.005 123.812 4.193 1
1 678 . 6 1 1 A 69 69 VAL H H 69 9.215 8.884 0.331 1
1 679 . 6 1 1 A 69 69 VAL HA H 69 4.185 4.531 -0.346 1
1 687 . 6 1 1 A 69 69 VAL C C 69 176.170 175.662 0.508 1
1 688 . 6 1 1 A 69 69 VAL CA C 69 62.860 61.026 1.834 1
1 689 . 6 1 1 A 69 69 VAL CB C 69 33.660 31.790 1.870 1
1 692 . 6 1 1 A 69 69 VAL N N 69 126.574 119.856 6.718 1
1 693 . 6 1 1 A 70 70 ALA H H 70 7.647 7.594 0.053 1
1 694 . 6 1 1 A 70 70 ALA HA H 70 4.614 4.277 0.337 1
1 698 . 6 1 1 A 70 70 ALA C C 70 175.170 177.264 -2.094 1
1 699 . 6 1 1 A 70 70 ALA CA C 70 52.400 51.269 1.131 1
1 700 . 6 1 1 A 70 70 ALA CB C 70 23.350 18.883 4.467 1
1 701 . 6 1 1 A 70 70 ALA N N 70 118.268 126.170 -7.902 1
1 702 . 6 1 1 A 71 71 VAL H H 71 8.428 8.632 -0.204 1
1 703 . 6 1 1 A 71 71 VAL HA H 71 4.216 4.214 0.002 1
1 711 . 6 1 1 A 71 71 VAL C C 71 175.810 175.653 0.157 1
1 712 . 6 1 1 A 71 71 VAL CA C 71 62.380 63.205 -0.825 1
1 713 . 6 1 1 A 71 71 VAL CB C 71 33.120 33.664 -0.544 1
1 716 . 6 1 1 A 71 71 VAL N N 71 119.624 126.323 -6.699 1
1 717 . 6 1 1 A 72 72 LEU H H 72 8.333 7.824 0.509 1
1 718 . 6 1 1 A 72 72 LEU HA H 72 3.882 3.806 0.076 1
1 728 . 6 1 1 A 72 72 LEU C C 72 176.580 176.099 0.481 1
1 729 . 6 1 1 A 72 72 LEU CA C 72 54.600 55.491 -0.891 1
1 730 . 6 1 1 A 72 72 LEU CB C 72 37.880 40.284 -2.404 1
1 734 . 6 1 1 A 72 72 LEU N N 72 130.241 121.737 8.504 1
1 735 . 6 1 1 A 73 73 SER H H 73 7.865 7.962 -0.097 1
1 736 . 6 1 1 A 73 73 SER HA H 73 4.304 4.722 -0.418 1
1 739 . 6 1 1 A 73 73 SER C C 73 173.470 174.574 -1.104 1
1 740 . 6 1 1 A 73 73 SER CA C 73 59.400 57.438 1.962 1
1 741 . 6 1 1 A 73 73 SER CB C 73 64.230 64.401 -0.171 1
1 742 . 6 1 1 A 73 73 SER N N 73 116.577 115.524 1.053 1
1 743 . 6 1 1 A 74 74 ASP H H 74 7.553 7.782 -0.229 1
1 744 . 6 1 1 A 74 74 ASP HA H 74 4.858 4.945 -0.087 1
1 747 . 6 1 1 A 74 74 ASP C C 74 175.910 176.113 -0.203 1
1 748 . 6 1 1 A 74 74 ASP CA C 74 53.057 53.631 -0.574 1
1 749 . 6 1 1 A 74 74 ASP CB C 74 41.720 41.403 0.317 1
1 750 . 6 1 1 A 74 74 ASP N N 74 120.482 120.386 0.096 1
1 751 . 6 1 1 A 75 75 ASP H H 75 8.601 7.968 0.633 1
1 752 . 6 1 1 A 75 75 ASP HA H 75 4.375 4.158 0.217 1
1 755 . 6 1 1 A 75 75 ASP C C 75 176.590 177.826 -1.236 1
1 756 . 6 1 1 A 75 75 ASP CA C 75 56.760 57.847 -1.087 1
1 757 . 6 1 1 A 75 75 ASP CB C 75 41.310 41.741 -0.431 1
1 758 . 6 1 1 A 75 75 ASP N N 75 125.434 121.821 3.613 1
1 759 . 6 1 1 A 76 76 SER H H 76 8.558 7.730 0.828 1
1 760 . 6 1 1 A 76 76 SER HA H 76 4.463 4.631 -0.168 1
1 763 . 6 1 1 A 76 76 SER C C 76 175.630 174.053 1.577 1
1 764 . 6 1 1 A 76 76 SER CA C 76 59.320 58.349 0.971 1
1 765 . 6 1 1 A 76 76 SER CB C 76 64.255 63.913 0.342 1
1 766 . 6 1 1 A 76 76 SER N N 76 112.502 111.549 0.953 1
1 767 . 6 1 1 A 77 77 ARG H H 77 7.381 7.389 -0.008 1
1 768 . 6 1 1 A 77 77 ARG HA H 77 4.318 4.577 -0.259 1
1 775 . 6 1 1 A 77 77 ARG CA C 77 53.260 53.219 0.041 1
1 776 . 6 1 1 A 77 77 ARG CB C 77 30.880 30.234 0.646 1
1 779 . 6 1 1 A 77 77 ARG N N 77 123.368 120.958 2.410 1
1 780 . 6 1 1 A 78 78 PRO HA H 78 4.697 4.637 0.060 1
1 787 . 6 1 1 A 78 78 PRO C C 78 178.090 178.123 -0.033 1
1 788 . 6 1 1 A 78 78 PRO CA C 78 61.970 63.045 -1.075 1
1 789 . 6 1 1 A 78 78 PRO CB C 78 31.380 31.806 -0.426 1
1 792 . 6 1 1 A 79 79 LEU H H 79 9.260 9.001 0.259 1
1 793 . 6 1 1 A 79 79 LEU HA H 79 4.099 4.262 -0.163 1
1 803 . 6 1 1 A 79 79 LEU C C 79 178.680 179.008 -0.328 1
1 804 . 6 1 1 A 79 79 LEU CA C 79 58.290 57.709 0.581 1
1 805 . 6 1 1 A 79 79 LEU CB C 79 42.160 42.177 -0.017 1
1 809 . 6 1 1 A 79 79 LEU N N 79 124.739 126.432 -1.693 1
1 810 . 6 1 1 A 80 80 GLY H H 80 9.611 8.300 1.311 1
1 811 . 6 1 1 A 80 80 GLY HA2 H 80 4.003 3.790 0.213 1
1 812 . 6 1 1 A 80 80 GLY HA3 H 80 3.683 3.796 -0.113 1
1 813 . 6 1 1 A 80 80 GLY C C 80 175.850 175.918 -0.068 1
1 814 . 6 1 1 A 80 80 GLY CA C 80 46.830 47.353 -0.523 1
1 815 . 6 1 1 A 80 80 GLY N N 80 102.276 107.487 -5.211 1
1 816 . 6 1 1 A 81 81 PHE H H 81 8.177 8.148 0.029 1
1 817 . 6 1 1 A 81 81 PHE HA H 81 4.090 4.159 -0.069 1
1 822 . 6 1 1 A 81 81 PHE C C 81 175.810 177.655 -1.845 1
1 823 . 6 1 1 A 81 81 PHE CA C 81 60.560 60.876 -0.316 1
1 824 . 6 1 1 A 81 81 PHE CB C 81 39.640 39.048 0.592 1
1 827 . 6 1 1 A 81 81 PHE N N 81 123.413 122.940 0.473 1
1 828 . 6 1 1 A 82 82 PHE H H 82 7.733 7.989 -0.256 1
1 829 . 6 1 1 A 82 82 PHE HA H 82 4.171 4.083 0.088 1
1 834 . 6 1 1 A 82 82 PHE C C 82 172.960 175.535 -2.575 1
1 835 . 6 1 1 A 82 82 PHE CA C 82 57.730 61.518 -3.788 1
1 836 . 6 1 1 A 82 82 PHE CB C 82 38.670 39.387 -0.717 1
1 839 . 6 1 1 A 82 82 PHE N N 82 114.781 120.898 -6.117 1
1 840 . 6 1 1 A 83 83 SER H H 83 7.541 8.507 -0.966 1
1 841 . 6 1 1 A 83 83 SER HA H 83 3.898 4.138 -0.240 1
1 844 . 6 1 1 A 83 83 SER CA C 83 57.980 59.049 -1.069 1
1 845 . 6 1 1 A 83 83 SER CB C 83 61.882 61.529 0.353 1
1 846 . 6 1 1 A 83 83 SER N N 83 108.622 113.731 -5.109 1
1 847 . 6 1 1 A 85 85 PHE HA H 85 4.447 4.119 0.328 1
1 854 . 6 1 1 A 85 85 PHE C C 85 173.640 175.246 -1.606 1
1 855 . 6 1 1 A 85 85 PHE CA C 85 55.600 61.848 -6.248 1
1 856 . 6 1 1 A 85 85 PHE CB C 85 42.180 39.342 2.838 1
1 861 . 6 1 1 A 86 86 ASP H H 86 8.469 8.592 -0.123 1
1 862 . 6 1 1 A 86 86 ASP HA H 86 4.934 4.401 0.533 1
1 865 . 6 1 1 A 86 86 ASP C C 86 177.910 175.158 2.752 1
1 866 . 6 1 1 A 86 86 ASP CA C 86 55.927 54.903 1.024 1
1 867 . 6 1 1 A 86 86 ASP CB C 86 41.109 39.739 1.370 1
1 868 . 6 1 1 A 86 86 ASP N N 86 119.276 118.647 0.629 1
1 869 . 6 1 1 A 87 87 GLY H H 87 9.163 8.342 0.821 1
1 870 . 6 1 1 A 87 87 GLY HA2 H 87 4.570 4.060 0.510 1
1 871 . 6 1 1 A 87 87 GLY HA3 H 87 3.701 4.097 -0.396 1
1 872 . 6 1 1 A 87 87 GLY C C 87 175.180 173.861 1.319 1
1 873 . 6 1 1 A 87 87 GLY CA C 87 45.540 45.477 0.063 1
1 874 . 6 1 1 A 87 87 GLY N N 87 109.579 107.855 1.724 1
1 875 . 6 1 1 A 88 88 PHE H H 88 8.270 7.963 0.307 1
1 876 . 6 1 1 A 88 88 PHE HA H 88 4.653 5.141 -0.488 1
1 883 . 6 1 1 A 88 88 PHE C C 88 172.620 175.081 -2.461 1
1 884 . 6 1 1 A 88 88 PHE CA C 88 57.570 56.685 0.885 1
1 885 . 6 1 1 A 88 88 PHE CB C 88 38.750 43.390 -4.640 1
1 890 . 6 1 1 A 88 88 PHE N N 88 121.300 118.879 2.421 1
1 891 . 6 1 1 A 89 89 ARG H H 89 9.056 8.945 0.111 1
1 892 . 6 1 1 A 89 89 ARG HA H 89 5.652 4.848 0.804 1
1 899 . 6 1 1 A 89 89 ARG C C 89 174.990 175.254 -0.264 1
1 900 . 6 1 1 A 89 89 ARG CA C 89 54.067 55.825 -1.758 1
1 901 . 6 1 1 A 89 89 ARG CB C 89 35.630 30.925 4.705 1
1 904 . 6 1 1 A 89 89 ARG N N 89 120.200 122.141 -1.941 1
1 905 . 6 1 1 A 90 90 LEU H H 90 9.487 9.229 0.258 1
1 906 . 6 1 1 A 90 90 LEU HA H 90 5.244 4.712 0.532 1
1 916 . 6 1 1 A 90 90 LEU C C 90 173.050 175.258 -2.208 1
1 917 . 6 1 1 A 90 90 LEU CA C 90 53.250 54.434 -1.184 1
1 918 . 6 1 1 A 90 90 LEU CB C 90 44.870 40.678 4.192 1
1 922 . 6 1 1 A 90 90 LEU N N 90 128.373 127.363 1.010 1
1 923 . 6 1 1 A 91 91 HIS H H 91 9.474 9.108 0.366 1
1 924 . 6 1 1 A 91 91 HIS HA H 91 5.357 5.157 0.200 1
1 929 . 6 1 1 A 91 91 HIS C C 91 173.870 173.153 0.717 1
1 930 . 6 1 1 A 91 91 HIS CA C 91 54.320 54.497 -0.177 1
1 931 . 6 1 1 A 91 91 HIS CB C 91 36.070 29.924 6.146 1
1 934 . 6 1 1 A 91 91 HIS N N 91 125.565 125.206 0.359 1
1 935 . 6 1 1 A 92 92 ILE H H 92 8.341 8.465 -0.124 1
1 936 . 6 1 1 A 92 92 ILE HA H 92 4.045 4.372 -0.327 1
1 946 . 6 1 1 A 92 92 ILE C C 92 173.350 175.411 -2.061 1
1 947 . 6 1 1 A 92 92 ILE CA C 92 61.380 60.510 0.870 1
1 948 . 6 1 1 A 92 92 ILE CB C 92 40.040 38.136 1.904 1
1 952 . 6 1 1 A 92 92 ILE N N 92 126.939 129.034 -2.095 1
1 953 . 6 1 1 A 93 93 ILE H H 93 8.754 8.618 0.136 1
1 954 . 6 1 1 A 93 93 ILE HA H 93 3.744 4.096 -0.352 1
1 964 . 6 1 1 A 93 93 ILE C C 93 174.450 175.067 -0.617 1
1 965 . 6 1 1 A 93 93 ILE CA C 93 60.480 61.130 -0.650 1
1 966 . 6 1 1 A 93 93 ILE CB C 93 41.250 37.703 3.547 1
1 970 . 6 1 1 A 93 93 ILE N N 93 126.486 128.881 -2.395 1
1 971 . 6 1 1 A 94 94 ASP H H 94 7.976 9.028 -1.052 1
1 972 . 6 1 1 A 94 94 ASP HA H 94 4.881 4.769 0.112 1
1 975 . 6 1 1 A 94 94 ASP C C 94 176.710 176.792 -0.082 1
1 976 . 6 1 1 A 94 94 ASP CA C 94 52.170 53.522 -1.352 1
1 977 . 6 1 1 A 94 94 ASP CB C 94 42.000 38.698 3.302 1
1 978 . 6 1 1 A 94 94 ASP N N 94 124.752 129.438 -4.686 1
1 979 . 6 1 1 A 95 95 LEU H H 95 9.218 7.963 1.255 1
1 980 . 6 1 1 A 95 95 LEU HA H 95 4.111 4.562 -0.451 1
1 990 . 6 1 1 A 95 95 LEU C C 95 177.230 176.163 1.067 1
1 991 . 6 1 1 A 95 95 LEU CA C 95 55.553 54.907 0.646 1
1 992 . 6 1 1 A 95 95 LEU CB C 95 42.380 41.846 0.534 1
1 996 . 6 1 1 A 95 95 LEU N N 95 126.286 119.563 6.723 1
1 997 . 6 1 1 A 96 96 ASP H H 96 8.762 7.779 0.983 1
1 998 . 6 1 1 A 96 96 ASP HA H 96 4.946 4.851 0.095 1
1 1001 . 6 1 1 A 96 96 ASP CA C 96 52.598 51.422 1.176 1
1 1002 . 6 1 1 A 96 96 ASP CB C 96 41.400 41.730 -0.330 1
1 1 . 7 1 1 A 10 10 HIS HA H 10 4.439 5.081 -0.642 1
1 4 . 7 1 1 A 10 10 HIS CA C 10 55.740 53.347 2.393 1
1 5 . 7 1 1 A 10 10 HIS CB C 10 32.490 31.456 1.034 1
1 6 . 7 1 1 A 11 11 GLY H H 11 8.463 8.454 0.009 1
1 7 . 7 1 1 A 11 11 GLY HA2 H 11 3.930 3.902 0.028 1
1 8 . 7 1 1 A 11 11 GLY HA3 H 11 3.989 4.032 -0.043 1
1 9 . 7 1 1 A 11 11 GLY C C 11 173.720 171.934 1.786 1
1 10 . 7 1 1 A 11 11 GLY CA C 11 45.450 46.009 -0.559 1
1 11 . 7 1 1 A 11 11 GLY N N 11 110.200 112.836 -2.636 1
1 12 . 7 1 1 A 12 12 ASP H H 12 8.174 8.618 -0.444 1
1 13 . 7 1 1 A 12 12 ASP HA H 12 4.656 4.878 -0.222 1
1 16 . 7 1 1 A 12 12 ASP C C 12 174.950 175.773 -0.823 1
1 17 . 7 1 1 A 12 12 ASP CA C 12 54.140 52.674 1.466 1
1 18 . 7 1 1 A 12 12 ASP CB C 12 41.370 41.550 -0.180 1
1 19 . 7 1 1 A 12 12 ASP N N 12 120.300 124.381 -4.081 1
1 20 . 7 1 1 A 13 13 ASP H H 13 8.405 8.048 0.357 1
1 21 . 7 1 1 A 13 13 ASP HA H 13 4.630 4.691 -0.061 1
1 24 . 7 1 1 A 13 13 ASP C C 13 176.040 174.329 1.711 1
1 25 . 7 1 1 A 13 13 ASP CA C 13 53.910 54.053 -0.143 1
1 26 . 7 1 1 A 13 13 ASP CB C 13 40.840 39.200 1.640 1
1 27 . 7 1 1 A 13 13 ASP N N 13 121.700 122.724 -1.024 1
1 28 . 7 1 1 A 14 14 SER H H 14 8.120 8.067 0.053 1
1 29 . 7 1 1 A 14 14 SER HA H 14 4.570 4.941 -0.371 1
1 32 . 7 1 1 A 14 14 SER C C 14 173.350 173.339 0.011 1
1 33 . 7 1 1 A 14 14 SER CA C 14 59.250 57.444 1.806 1
1 34 . 7 1 1 A 14 14 SER CB C 14 64.956 64.693 0.263 1
1 35 . 7 1 1 A 14 14 SER N N 14 114.400 115.718 -1.318 1
1 36 . 7 1 1 A 15 15 VAL H H 15 8.859 8.771 0.088 1
1 37 . 7 1 1 A 15 15 VAL HA H 15 4.754 3.968 0.786 1
1 45 . 7 1 1 A 15 15 VAL C C 15 174.290 175.734 -1.444 1
1 46 . 7 1 1 A 15 15 VAL CA C 15 59.546 61.700 -2.154 1
1 47 . 7 1 1 A 15 15 VAL CB C 15 34.830 32.803 2.027 1
1 50 . 7 1 1 A 15 15 VAL N N 15 118.659 123.637 -4.978 1
1 51 . 7 1 1 A 16 16 HIS H H 16 9.376 8.429 0.947 1
1 52 . 7 1 1 A 16 16 HIS HA H 16 5.030 4.816 0.214 1
1 56 . 7 1 1 A 16 16 HIS C C 16 173.700 174.744 -1.044 1
1 57 . 7 1 1 A 16 16 HIS CA C 16 54.914 54.976 -0.062 1
1 58 . 7 1 1 A 16 16 HIS CB C 16 30.300 28.408 1.892 1
1 60 . 7 1 1 A 16 16 HIS N N 16 126.974 122.481 4.493 1
1 61 . 7 1 1 A 17 17 LEU H H 17 8.888 8.532 0.356 1
1 62 . 7 1 1 A 17 17 LEU HA H 17 5.100 5.185 -0.085 1
1 72 . 7 1 1 A 17 17 LEU C C 17 175.750 175.634 0.116 1
1 73 . 7 1 1 A 17 17 LEU CA C 17 53.160 53.838 -0.678 1
1 74 . 7 1 1 A 17 17 LEU CB C 17 44.890 44.332 0.558 1
1 78 . 7 1 1 A 17 17 LEU N N 17 126.426 125.341 1.085 1
1 79 . 7 1 1 A 18 18 HIS H H 18 8.610 8.849 -0.239 1
1 80 . 7 1 1 A 18 18 HIS HA H 18 5.191 5.280 -0.089 1
1 84 . 7 1 1 A 18 18 HIS C C 18 174.120 174.732 -0.612 1
1 85 . 7 1 1 A 18 18 HIS CA C 18 55.120 54.202 0.918 1
1 86 . 7 1 1 A 18 18 HIS CB C 18 31.000 31.352 -0.352 1
1 88 . 7 1 1 A 18 18 HIS N N 18 120.309 122.649 -2.340 1
1 89 . 7 1 1 A 19 19 ILE H H 19 9.050 8.815 0.235 1
1 90 . 7 1 1 A 19 19 ILE HA H 19 5.704 4.381 1.323 1
1 100 . 7 1 1 A 19 19 ILE C C 19 175.890 175.576 0.314 1
1 101 . 7 1 1 A 19 19 ILE CA C 19 60.250 62.888 -2.638 1
1 102 . 7 1 1 A 19 19 ILE CB C 19 40.500 37.632 2.868 1
1 106 . 7 1 1 A 19 19 ILE N N 19 123.672 125.751 -2.079 1
1 107 . 7 1 1 A 20 20 THR H H 20 9.224 9.643 -0.419 1
1 108 . 7 1 1 A 20 20 THR HA H 20 4.970 4.875 0.095 1
1 110 . 7 1 1 A 20 20 THR C C 20 172.920 173.266 -0.346 1
1 111 . 7 1 1 A 20 20 THR CA C 20 60.960 62.292 -1.332 1
1 112 . 7 1 1 A 20 20 THR CB C 20 71.732 69.678 2.054 1
1 114 . 7 1 1 A 20 20 THR N N 20 117.905 124.259 -6.354 1
1 115 . 7 1 1 A 21 21 HIS H H 21 9.755 9.144 0.611 1
1 116 . 7 1 1 A 21 21 HIS HA H 21 5.053 4.887 0.166 1
1 121 . 7 1 1 A 21 21 HIS C C 21 175.830 175.457 0.373 1
1 122 . 7 1 1 A 21 21 HIS CA C 21 55.561 56.471 -0.910 1
1 123 . 7 1 1 A 21 21 HIS CB C 21 36.450 31.525 4.925 1
1 126 . 7 1 1 A 21 21 HIS N N 21 122.170 127.266 -5.096 1
1 127 . 7 1 1 A 22 22 ALA H H 22 9.098 8.773 0.325 1
1 128 . 7 1 1 A 22 22 ALA HA H 22 4.116 4.143 -0.027 1
1 132 . 7 1 1 A 22 22 ALA C C 22 178.340 179.592 -1.252 1
1 133 . 7 1 1 A 22 22 ALA CA C 22 54.670 54.812 -0.142 1
1 134 . 7 1 1 A 22 22 ALA CB C 22 20.870 19.221 1.649 1
1 135 . 7 1 1 A 22 22 ALA N N 22 128.332 127.538 0.794 1
1 136 . 7 1 1 A 23 23 ASN H H 23 10.395 8.268 2.127 1
1 137 . 7 1 1 A 23 23 ASN HA H 23 5.066 4.650 0.416 1
1 142 . 7 1 1 A 23 23 ASN C C 23 175.090 175.965 -0.875 1
1 143 . 7 1 1 A 23 23 ASN CA C 23 53.649 55.374 -1.725 1
1 144 . 7 1 1 A 23 23 ASN CB C 23 41.160 39.003 2.157 1
1 145 . 7 1 1 A 23 23 ASN N N 23 116.400 116.299 0.101 1
1 147 . 7 1 1 A 24 24 LEU H H 24 7.752 7.951 -0.199 1
1 148 . 7 1 1 A 24 24 LEU HA H 24 4.637 4.572 0.065 1
1 157 . 7 1 1 A 24 24 LEU C C 24 176.810 177.597 -0.787 1
1 158 . 7 1 1 A 24 24 LEU CA C 24 53.380 54.355 -0.975 1
1 159 . 7 1 1 A 24 24 LEU CB C 24 41.630 40.588 1.042 1
1 162 . 7 1 1 A 24 24 LEU N N 24 122.870 120.169 2.701 1
1 163 . 7 1 1 A 25 25 LYS H H 25 8.491 8.524 -0.033 1
1 164 . 7 1 1 A 25 25 LYS HA H 25 4.196 4.205 -0.009 1
1 171 . 7 1 1 A 25 25 LYS C C 25 177.530 176.799 0.731 1
1 172 . 7 1 1 A 25 25 LYS CA C 25 59.270 58.434 0.836 1
1 173 . 7 1 1 A 25 25 LYS CB C 25 32.300 31.554 0.746 1
1 177 . 7 1 1 A 25 25 LYS N N 25 124.310 122.703 1.607 1
1 178 . 7 1 1 A 26 26 SER H H 26 8.512 7.955 0.557 1
1 179 . 7 1 1 A 26 26 SER HA H 26 4.513 4.755 -0.242 1
1 182 . 7 1 1 A 26 26 SER C C 26 174.090 174.205 -0.115 1
1 183 . 7 1 1 A 26 26 SER CA C 26 58.200 57.540 0.660 1
1 184 . 7 1 1 A 26 26 SER CB C 26 63.487 63.681 -0.194 1
1 185 . 7 1 1 A 26 26 SER N N 26 111.482 115.132 -3.650 1
1 186 . 7 1 1 A 27 27 PHE H H 27 7.723 7.731 -0.008 1
1 187 . 7 1 1 A 27 27 PHE HA H 27 4.463 4.767 -0.304 1
1 194 . 7 1 1 A 27 27 PHE C C 27 175.270 174.167 1.103 1
1 195 . 7 1 1 A 27 27 PHE CA C 27 59.290 56.380 2.910 1
1 196 . 7 1 1 A 27 27 PHE CB C 27 40.440 38.704 1.736 1
1 201 . 7 1 1 A 27 27 PHE N N 27 123.451 123.634 -0.183 1
1 202 . 7 1 1 A 28 28 SER H H 28 7.702 8.451 -0.749 1
1 203 . 7 1 1 A 28 28 SER HA H 28 4.630 4.772 -0.142 1
1 206 . 7 1 1 A 28 28 SER C C 28 172.060 173.410 -1.350 1
1 207 . 7 1 1 A 28 28 SER CA C 28 57.700 58.942 -1.242 1
1 208 . 7 1 1 A 28 28 SER CB C 28 64.600 63.312 1.288 1
1 209 . 7 1 1 A 28 28 SER N N 28 123.039 122.479 0.560 1
1 210 . 7 1 1 A 29 29 ALA H H 29 8.154 8.604 -0.450 1
1 211 . 7 1 1 A 29 29 ALA HA H 29 4.655 4.970 -0.315 1
1 215 . 7 1 1 A 29 29 ALA C C 29 174.090 175.402 -1.312 1
1 216 . 7 1 1 A 29 29 ALA CA C 29 51.300 50.715 0.585 1
1 217 . 7 1 1 A 29 29 ALA CB C 29 22.900 21.873 1.027 1
1 218 . 7 1 1 A 29 29 ALA N N 29 124.700 127.997 -3.297 1
1 219 . 7 1 1 A 30 30 ASP H H 30 8.395 8.904 -0.509 1
1 220 . 7 1 1 A 30 30 ASP HA H 30 5.532 5.367 0.165 1
1 223 . 7 1 1 A 30 30 ASP C C 30 174.320 175.297 -0.977 1
1 224 . 7 1 1 A 30 30 ASP CA C 30 53.870 52.901 0.969 1
1 225 . 7 1 1 A 30 30 ASP CB C 30 44.420 42.996 1.424 1
1 226 . 7 1 1 A 30 30 ASP N N 30 117.900 121.436 -3.536 1
1 227 . 7 1 1 A 31 31 ALA H H 31 8.866 8.839 0.027 1
1 228 . 7 1 1 A 31 31 ALA HA H 31 4.554 4.896 -0.342 1
1 232 . 7 1 1 A 31 31 ALA C C 31 174.240 176.110 -1.870 1
1 233 . 7 1 1 A 31 31 ALA CA C 31 51.710 50.531 1.179 1
1 234 . 7 1 1 A 31 31 ALA CB C 31 22.710 19.848 2.862 1
1 235 . 7 1 1 A 31 31 ALA N N 31 121.463 123.294 -1.831 1
1 236 . 7 1 1 A 32 32 ARG H H 32 8.056 8.550 -0.494 1
1 237 . 7 1 1 A 32 32 ARG HA H 32 5.232 5.442 -0.210 1
1 244 . 7 1 1 A 32 32 ARG C C 32 175.610 174.427 1.183 1
1 245 . 7 1 1 A 32 32 ARG CA C 32 54.780 54.834 -0.054 1
1 246 . 7 1 1 A 32 32 ARG CB C 32 31.840 31.516 0.324 1
1 249 . 7 1 1 A 32 32 ARG N N 32 119.065 119.779 -0.714 1
1 250 . 7 1 1 A 33 33 PHE H H 33 8.787 9.076 -0.289 1
1 251 . 7 1 1 A 33 33 PHE HA H 33 4.900 5.093 -0.193 1
1 258 . 7 1 1 A 33 33 PHE C C 33 175.050 175.286 -0.236 1
1 259 . 7 1 1 A 33 33 PHE CA C 33 55.790 56.690 -0.900 1
1 260 . 7 1 1 A 33 33 PHE CB C 33 43.300 43.563 -0.263 1
1 265 . 7 1 1 A 33 33 PHE N N 33 119.356 123.035 -3.679 1
1 266 . 7 1 1 A 34 34 SER H H 34 8.361 9.001 -0.640 1
1 267 . 7 1 1 A 34 34 SER HA H 34 4.910 4.745 0.165 1
1 268 . 7 1 1 A 34 34 SER CA C 34 55.270 56.988 -1.718 1
1 269 . 7 1 1 A 34 34 SER CB C 34 64.310 62.980 1.330 1
1 270 . 7 1 1 A 34 34 SER N N 34 118.000 115.503 2.497 1
1 271 . 7 1 1 A 35 35 PRO HA H 35 4.183 4.569 -0.386 1
1 278 . 7 1 1 A 35 35 PRO C C 35 176.460 177.633 -1.173 1
1 279 . 7 1 1 A 35 35 PRO CA C 35 64.120 64.272 -0.152 1
1 280 . 7 1 1 A 35 35 PRO CB C 35 32.140 31.679 0.461 1
1 283 . 7 1 1 A 36 36 GLN H H 36 8.013 8.432 -0.419 1
1 284 . 7 1 1 A 36 36 GLN HA H 36 4.278 4.339 -0.061 1
1 291 . 7 1 1 A 36 36 GLN C C 36 176.630 175.633 0.997 1
1 292 . 7 1 1 A 36 36 GLN CA C 36 56.600 56.821 -0.221 1
1 293 . 7 1 1 A 36 36 GLN CB C 36 29.380 29.083 0.297 1
1 295 . 7 1 1 A 36 36 GLN N N 36 114.700 116.920 -2.220 1
1 297 . 7 1 1 A 37 37 MET H H 37 7.628 7.595 0.033 1
1 298 . 7 1 1 A 37 37 MET HA H 37 4.314 4.481 -0.167 1
1 303 . 7 1 1 A 37 37 MET C C 37 174.480 175.263 -0.783 1
1 304 . 7 1 1 A 37 37 MET CA C 37 56.260 55.237 1.023 1
1 305 . 7 1 1 A 37 37 MET CB C 37 34.890 33.438 1.452 1
1 307 . 7 1 1 A 37 37 MET N N 37 120.895 122.106 -1.211 1
1 308 . 7 1 1 A 38 38 SER H H 38 8.740 8.603 0.137 1
1 309 . 7 1 1 A 38 38 SER HA H 38 4.650 5.135 -0.485 1
1 312 . 7 1 1 A 38 38 SER C C 38 175.320 175.515 -0.195 1
1 313 . 7 1 1 A 38 38 SER CA C 38 57.555 55.495 2.060 1
1 314 . 7 1 1 A 38 38 SER CB C 38 64.800 66.523 -1.723 1
1 315 . 7 1 1 A 38 38 SER N N 38 119.800 117.096 2.704 1
1 316 . 7 1 1 A 39 39 VAL H H 39 8.619 8.753 -0.134 1
1 317 . 7 1 1 A 39 39 VAL HA H 39 3.405 3.933 -0.528 1
1 325 . 7 1 1 A 39 39 VAL C C 39 177.950 177.320 0.630 1
1 326 . 7 1 1 A 39 39 VAL CA C 39 68.010 64.818 3.192 1
1 327 . 7 1 1 A 39 39 VAL CB C 39 31.830 31.678 0.152 1
1 330 . 7 1 1 A 39 39 VAL N N 39 122.324 121.773 0.551 1
1 331 . 7 1 1 A 40 40 GLU H H 40 8.737 7.873 0.864 1
1 332 . 7 1 1 A 40 40 GLU HA H 40 3.743 3.876 -0.133 1
1 337 . 7 1 1 A 40 40 GLU C C 40 177.450 178.424 -0.974 1
1 338 . 7 1 1 A 40 40 GLU CA C 40 60.570 59.583 0.987 1
1 339 . 7 1 1 A 40 40 GLU CB C 40 30.000 29.423 0.577 1
1 341 . 7 1 1 A 40 40 GLU N N 40 120.358 121.478 -1.120 1
1 342 . 7 1 1 A 41 41 ALA H H 41 8.056 7.643 0.413 1
1 343 . 7 1 1 A 41 41 ALA HA H 41 4.275 4.021 0.254 1
1 347 . 7 1 1 A 41 41 ALA C C 41 181.560 179.882 1.678 1
1 348 . 7 1 1 A 41 41 ALA CA C 41 55.080 55.056 0.024 1
1 349 . 7 1 1 A 41 41 ALA CB C 41 18.570 18.381 0.189 1
1 350 . 7 1 1 A 41 41 ALA N N 41 123.045 121.117 1.928 1
1 351 . 7 1 1 A 42 42 VAL H H 42 8.519 7.527 0.992 1
1 352 . 7 1 1 A 42 42 VAL HA H 42 3.456 3.820 -0.364 1
1 360 . 7 1 1 A 42 42 VAL C C 42 177.950 177.828 0.122 1
1 361 . 7 1 1 A 42 42 VAL CA C 42 67.440 64.492 2.948 1
1 362 . 7 1 1 A 42 42 VAL CB C 42 31.370 31.895 -0.525 1
1 365 . 7 1 1 A 42 42 VAL N N 42 122.576 117.206 5.370 1
1 366 . 7 1 1 A 43 43 LYS H H 43 8.660 7.837 0.823 1
1 367 . 7 1 1 A 43 43 LYS HA H 43 3.905 3.924 -0.019 1
1 374 . 7 1 1 A 43 43 LYS C C 43 178.490 178.934 -0.444 1
1 375 . 7 1 1 A 43 43 LYS CA C 43 61.080 60.320 0.760 1
1 376 . 7 1 1 A 43 43 LYS CB C 43 33.450 32.383 1.067 1
1 380 . 7 1 1 A 43 43 LYS N N 43 118.752 122.382 -3.630 1
1 381 . 7 1 1 A 44 44 GLU H H 44 8.109 8.005 0.104 1
1 382 . 7 1 1 A 44 44 GLU HA H 44 4.100 4.094 0.006 1
1 387 . 7 1 1 A 44 44 GLU C C 44 178.760 178.740 0.020 1
1 388 . 7 1 1 A 44 44 GLU CA C 44 60.560 59.367 1.193 1
1 389 . 7 1 1 A 44 44 GLU CB C 44 29.700 29.190 0.510 1
1 391 . 7 1 1 A 44 44 GLU N N 44 118.904 119.704 -0.800 1
1 392 . 7 1 1 A 45 45 LYS H H 45 7.868 7.601 0.267 1
1 393 . 7 1 1 A 45 45 LYS HA H 45 4.147 4.072 0.075 1
1 400 . 7 1 1 A 45 45 LYS C C 45 180.020 179.404 0.616 1
1 401 . 7 1 1 A 45 45 LYS CA C 45 59.210 59.441 -0.231 1
1 402 . 7 1 1 A 45 45 LYS CB C 45 32.540 31.999 0.541 1
1 406 . 7 1 1 A 45 45 LYS N N 45 118.353 119.965 -1.612 1
1 407 . 7 1 1 A 46 46 LEU H H 46 8.538 8.082 0.456 1
1 408 . 7 1 1 A 46 46 LEU HA H 46 4.147 4.097 0.050 1
1 418 . 7 1 1 A 46 46 LEU C C 46 179.950 179.154 0.796 1
1 419 . 7 1 1 A 46 46 LEU CA C 46 57.900 57.426 0.474 1
1 420 . 7 1 1 A 46 46 LEU CB C 46 40.800 41.159 -0.359 1
1 424 . 7 1 1 A 46 46 LEU N N 46 118.568 118.910 -0.342 1
1 425 . 7 1 1 A 47 47 TRP H H 47 9.308 8.390 0.918 1
1 426 . 7 1 1 A 47 47 TRP HA H 47 4.636 4.138 0.498 1
1 435 . 7 1 1 A 47 47 TRP C C 47 179.040 178.329 0.711 1
1 436 . 7 1 1 A 47 47 TRP CA C 47 60.312 60.994 -0.682 1
1 437 . 7 1 1 A 47 47 TRP CB C 47 28.080 29.759 -1.679 1
1 443 . 7 1 1 A 47 47 TRP N N 47 127.808 121.291 6.517 1
1 445 . 7 1 1 A 48 48 LYS H H 48 7.362 7.996 -0.634 1
1 446 . 7 1 1 A 48 48 LYS HA H 48 3.238 3.660 -0.422 1
1 453 . 7 1 1 A 48 48 LYS C C 48 177.660 177.803 -0.143 1
1 454 . 7 1 1 A 48 48 LYS CA C 48 58.360 57.636 0.724 1
1 455 . 7 1 1 A 48 48 LYS CB C 48 32.090 32.337 -0.247 1
1 459 . 7 1 1 A 48 48 LYS N N 48 118.583 117.916 0.667 1
1 460 . 7 1 1 A 49 49 LYS H H 49 7.339 7.815 -0.476 1
1 461 . 7 1 1 A 49 49 LYS HA H 49 4.388 4.294 0.094 1
1 468 . 7 1 1 A 49 49 LYS C C 49 177.120 178.268 -1.148 1
1 469 . 7 1 1 A 49 49 LYS CA C 49 57.469 58.013 -0.544 1
1 470 . 7 1 1 A 49 49 LYS CB C 49 33.990 33.159 0.831 1
1 474 . 7 1 1 A 49 49 LYS N N 49 114.530 119.697 -5.167 1
1 475 . 7 1 1 A 50 50 CYS H H 50 8.092 8.010 0.082 1
1 476 . 7 1 1 A 50 50 CYS HA H 50 4.880 4.489 0.391 1
1 479 . 7 1 1 A 50 50 CYS C C 50 174.560 175.253 -0.693 1
1 480 . 7 1 1 A 50 50 CYS CA C 50 57.213 59.651 -2.438 1
1 481 . 7 1 1 A 50 50 CYS CB C 50 31.470 29.151 2.319 1
1 482 . 7 1 1 A 50 50 CYS N N 50 110.536 115.181 -4.645 1
1 483 . 7 1 1 A 51 51 GLY H H 51 8.644 7.714 0.930 1
1 484 . 7 1 1 A 51 51 GLY HA2 H 51 4.248 3.691 0.557 1
1 485 . 7 1 1 A 51 51 GLY HA3 H 51 3.650 3.814 -0.164 1
1 486 . 7 1 1 A 51 51 GLY C C 51 173.800 174.165 -0.365 1
1 487 . 7 1 1 A 51 51 GLY CA C 51 46.390 46.367 0.023 1
1 488 . 7 1 1 A 51 51 GLY N N 51 113.666 110.005 3.661 1
1 489 . 7 1 1 A 52 52 THR H H 52 7.781 7.554 0.227 1
1 490 . 7 1 1 A 52 52 THR HA H 52 4.277 4.684 -0.407 1
1 495 . 7 1 1 A 52 52 THR C C 52 172.080 173.530 -1.450 1
1 496 . 7 1 1 A 52 52 THR CA C 52 63.630 59.489 4.141 1
1 497 . 7 1 1 A 52 52 THR CB C 52 69.720 71.129 -1.409 1
1 499 . 7 1 1 A 52 52 THR N N 52 121.643 115.140 6.503 1
1 500 . 7 1 1 A 53 53 SER H H 53 8.606 8.892 -0.286 1
1 501 . 7 1 1 A 53 53 SER HA H 53 3.775 4.567 -0.792 1
1 504 . 7 1 1 A 53 53 SER C C 53 175.890 175.844 0.046 1
1 505 . 7 1 1 A 53 53 SER CA C 53 58.590 59.059 -0.469 1
1 506 . 7 1 1 A 53 53 SER CB C 53 63.620 63.537 0.083 1
1 507 . 7 1 1 A 53 53 SER N N 53 120.903 120.135 0.768 1
1 508 . 7 1 1 A 54 54 VAL H H 54 7.895 8.901 -1.006 1
1 509 . 7 1 1 A 54 54 VAL HA H 54 3.563 3.846 -0.283 1
1 517 . 7 1 1 A 54 54 VAL C C 54 178.260 177.775 0.485 1
1 518 . 7 1 1 A 54 54 VAL CA C 54 66.600 65.229 1.371 1
1 519 . 7 1 1 A 54 54 VAL CB C 54 31.630 31.512 0.118 1
1 522 . 7 1 1 A 54 54 VAL N N 54 121.121 124.182 -3.061 1
1 523 . 7 1 1 A 55 55 ASN H H 55 8.148 8.091 0.057 1
1 524 . 7 1 1 A 55 55 ASN HA H 55 4.496 4.491 0.005 1
1 529 . 7 1 1 A 55 55 ASN C C 55 175.640 176.899 -1.259 1
1 530 . 7 1 1 A 55 55 ASN CA C 55 54.875 55.904 -1.029 1
1 531 . 7 1 1 A 55 55 ASN CB C 55 38.120 38.351 -0.231 1
1 532 . 7 1 1 A 55 55 ASN N N 55 115.018 119.988 -4.970 1
1 534 . 7 1 1 A 56 56 SER H H 56 7.559 7.870 -0.311 1
1 535 . 7 1 1 A 56 56 SER HA H 56 4.585 4.448 0.137 1
1 538 . 7 1 1 A 56 56 SER C C 56 171.180 174.614 -3.434 1
1 539 . 7 1 1 A 56 56 SER CA C 56 57.260 60.009 -2.749 1
1 540 . 7 1 1 A 56 56 SER CB C 56 64.260 63.701 0.559 1
1 541 . 7 1 1 A 56 56 SER N N 56 114.545 112.675 1.870 1
1 542 . 7 1 1 A 57 57 MET H H 57 7.177 7.519 -0.342 1
1 543 . 7 1 1 A 57 57 MET HA H 57 4.785 4.533 0.252 1
1 548 . 7 1 1 A 57 57 MET C C 57 175.400 174.619 0.781 1
1 549 . 7 1 1 A 57 57 MET CA C 57 55.631 54.613 1.018 1
1 550 . 7 1 1 A 57 57 MET CB C 57 36.740 32.094 4.646 1
1 552 . 7 1 1 A 57 57 MET N N 57 120.883 120.895 -0.012 1
1 553 . 7 1 1 A 58 58 ALA H H 58 9.226 8.263 0.963 1
1 554 . 7 1 1 A 58 58 ALA HA H 58 4.723 4.659 0.064 1
1 558 . 7 1 1 A 58 58 ALA C C 58 175.360 176.211 -0.851 1
1 559 . 7 1 1 A 58 58 ALA CA C 58 50.327 51.156 -0.829 1
1 560 . 7 1 1 A 58 58 ALA CB C 58 21.580 19.752 1.828 1
1 561 . 7 1 1 A 58 58 ALA N N 58 129.559 129.336 0.223 1
1 562 . 7 1 1 A 59 59 LEU H H 59 8.307 8.890 -0.583 1
1 563 . 7 1 1 A 59 59 LEU HA H 59 5.393 4.708 0.685 1
1 573 . 7 1 1 A 59 59 LEU C C 59 175.470 175.718 -0.248 1
1 574 . 7 1 1 A 59 59 LEU CA C 59 52.970 54.099 -1.129 1
1 575 . 7 1 1 A 59 59 LEU CB C 59 47.410 41.564 5.846 1
1 579 . 7 1 1 A 59 59 LEU N N 59 118.793 124.712 -5.919 1
1 580 . 7 1 1 A 60 60 GLU H H 60 8.978 8.705 0.273 1
1 581 . 7 1 1 A 60 60 GLU HA H 60 4.789 4.337 0.452 1
1 586 . 7 1 1 A 60 60 GLU C C 60 173.670 174.624 -0.954 1
1 587 . 7 1 1 A 60 60 GLU CA C 60 54.246 55.719 -1.473 1
1 588 . 7 1 1 A 60 60 GLU CB C 60 35.470 28.550 6.920 1
1 590 . 7 1 1 A 60 60 GLU N N 60 121.100 124.845 -3.745 1
1 591 . 7 1 1 A 61 61 LEU H H 61 8.651 8.338 0.313 1
1 592 . 7 1 1 A 61 61 LEU HA H 61 5.541 4.948 0.593 1
1 602 . 7 1 1 A 61 61 LEU C C 61 174.270 174.088 0.182 1
1 603 . 7 1 1 A 61 61 LEU CA C 61 53.120 53.330 -0.210 1
1 604 . 7 1 1 A 61 61 LEU CB C 61 46.890 43.261 3.629 1
1 608 . 7 1 1 A 61 61 LEU N N 61 122.689 127.357 -4.668 1
1 609 . 7 1 1 A 62 62 TYR H H 62 10.028 8.418 1.610 1
1 610 . 7 1 1 A 62 62 TYR HA H 62 5.096 5.078 0.018 1
1 617 . 7 1 1 A 62 62 TYR C C 62 175.180 176.390 -1.210 1
1 618 . 7 1 1 A 62 62 TYR CA C 62 56.520 57.178 -0.658 1
1 619 . 7 1 1 A 62 62 TYR CB C 62 42.520 40.592 1.928 1
1 624 . 7 1 1 A 62 62 TYR N N 62 126.875 126.311 0.564 1
1 625 . 7 1 1 A 63 63 ASP H H 63 8.573 8.224 0.349 1
1 626 . 7 1 1 A 63 63 ASP HA H 63 2.824 5.221 -2.397 1
1 629 . 7 1 1 A 63 63 ASP C C 63 176.470 176.671 -0.201 1
1 630 . 7 1 1 A 63 63 ASP CA C 63 51.490 53.559 -2.069 1
1 631 . 7 1 1 A 63 63 ASP CB C 63 41.490 40.755 0.735 1
1 632 . 7 1 1 A 63 63 ASP N N 63 118.563 121.045 -2.482 1
1 633 . 7 1 1 A 64 64 ASP H H 64 8.319 8.396 -0.077 1
1 634 . 7 1 1 A 64 64 ASP HA H 64 4.396 4.389 0.007 1
1 637 . 7 1 1 A 64 64 ASP C C 64 176.670 176.408 0.262 1
1 638 . 7 1 1 A 64 64 ASP CA C 64 55.270 55.666 -0.396 1
1 639 . 7 1 1 A 64 64 ASP CB C 64 39.540 40.635 -1.095 1
1 640 . 7 1 1 A 64 64 ASP N N 64 114.728 119.835 -5.107 1
1 641 . 7 1 1 A 65 65 SER H H 65 8.305 8.306 -0.001 1
1 642 . 7 1 1 A 65 65 SER HA H 65 4.640 4.413 0.227 1
1 645 . 7 1 1 A 65 65 SER C C 65 174.700 174.215 0.485 1
1 646 . 7 1 1 A 65 65 SER CA C 65 58.550 59.377 -0.827 1
1 647 . 7 1 1 A 65 65 SER CB C 65 64.393 63.698 0.695 1
1 648 . 7 1 1 A 65 65 SER N N 65 115.837 114.620 1.217 1
1 649 . 7 1 1 A 66 66 GLY H H 66 7.876 7.854 0.022 1
1 650 . 7 1 1 A 66 66 GLY HA2 H 66 4.284 3.984 0.300 1
1 651 . 7 1 1 A 66 66 GLY HA3 H 66 3.679 4.017 -0.338 1
1 652 . 7 1 1 A 66 66 GLY C C 66 174.550 174.593 -0.043 1
1 653 . 7 1 1 A 66 66 GLY CA C 66 45.570 45.304 0.266 1
1 654 . 7 1 1 A 66 66 GLY N N 66 109.151 108.337 0.814 1
1 655 . 7 1 1 A 67 67 SER H H 67 8.416 7.762 0.654 1
1 656 . 7 1 1 A 67 67 SER HA H 67 4.583 4.508 0.075 1
1 659 . 7 1 1 A 67 67 SER C C 67 173.680 174.233 -0.553 1
1 660 . 7 1 1 A 67 67 SER CA C 67 58.070 59.112 -1.042 1
1 661 . 7 1 1 A 67 67 SER CB C 67 63.300 64.087 -0.787 1
1 662 . 7 1 1 A 67 67 SER N N 67 119.156 117.814 1.342 1
1 663 . 7 1 1 A 68 68 LYS H H 68 8.880 8.396 0.484 1
1 664 . 7 1 1 A 68 68 LYS HA H 68 3.233 4.320 -1.087 1
1 671 . 7 1 1 A 68 68 LYS C C 68 176.440 176.942 -0.502 1
1 672 . 7 1 1 A 68 68 LYS CA C 68 57.920 56.386 1.534 1
1 673 . 7 1 1 A 68 68 LYS CB C 68 31.822 32.624 -0.802 1
1 677 . 7 1 1 A 68 68 LYS N N 68 128.005 125.035 2.970 1
1 678 . 7 1 1 A 69 69 VAL H H 69 9.215 8.766 0.449 1
1 679 . 7 1 1 A 69 69 VAL HA H 69 4.185 4.495 -0.310 1
1 687 . 7 1 1 A 69 69 VAL C C 69 176.170 175.594 0.576 1
1 688 . 7 1 1 A 69 69 VAL CA C 69 62.860 60.990 1.870 1
1 689 . 7 1 1 A 69 69 VAL CB C 69 33.660 31.506 2.154 1
1 692 . 7 1 1 A 69 69 VAL N N 69 126.574 119.019 7.555 1
1 693 . 7 1 1 A 70 70 ALA H H 70 7.647 7.533 0.114 1
1 694 . 7 1 1 A 70 70 ALA HA H 70 4.614 4.281 0.333 1
1 698 . 7 1 1 A 70 70 ALA C C 70 175.170 175.987 -0.817 1
1 699 . 7 1 1 A 70 70 ALA CA C 70 52.400 51.630 0.770 1
1 700 . 7 1 1 A 70 70 ALA CB C 70 23.350 17.277 6.073 1
1 701 . 7 1 1 A 70 70 ALA N N 70 118.268 125.185 -6.917 1
1 702 . 7 1 1 A 71 71 VAL H H 71 8.428 8.095 0.333 1
1 703 . 7 1 1 A 71 71 VAL HA H 71 4.216 4.656 -0.440 1
1 711 . 7 1 1 A 71 71 VAL C C 71 175.810 174.153 1.657 1
1 712 . 7 1 1 A 71 71 VAL CA C 71 62.380 60.751 1.629 1
1 713 . 7 1 1 A 71 71 VAL CB C 71 33.120 32.717 0.403 1
1 716 . 7 1 1 A 71 71 VAL N N 71 119.624 121.376 -1.752 1
1 717 . 7 1 1 A 72 72 LEU H H 72 8.333 8.700 -0.367 1
1 718 . 7 1 1 A 72 72 LEU HA H 72 3.882 4.532 -0.650 1
1 728 . 7 1 1 A 72 72 LEU C C 72 176.580 176.824 -0.244 1
1 729 . 7 1 1 A 72 72 LEU CA C 72 54.600 54.363 0.237 1
1 730 . 7 1 1 A 72 72 LEU CB C 72 37.880 40.119 -2.239 1
1 734 . 7 1 1 A 72 72 LEU N N 72 130.241 131.194 -0.953 1
1 735 . 7 1 1 A 73 73 SER H H 73 7.865 8.328 -0.463 1
1 736 . 7 1 1 A 73 73 SER HA H 73 4.304 4.331 -0.027 1
1 739 . 7 1 1 A 73 73 SER C C 73 173.470 174.755 -1.285 1
1 740 . 7 1 1 A 73 73 SER CA C 73 59.400 60.819 -1.419 1
1 741 . 7 1 1 A 73 73 SER CB C 73 64.230 63.442 0.788 1
1 742 . 7 1 1 A 73 73 SER N N 73 116.577 120.576 -3.999 1
1 743 . 7 1 1 A 74 74 ASP H H 74 7.553 7.602 -0.049 1
1 744 . 7 1 1 A 74 74 ASP HA H 74 4.858 4.964 -0.106 1
1 747 . 7 1 1 A 74 74 ASP C C 74 175.910 176.357 -0.447 1
1 748 . 7 1 1 A 74 74 ASP CA C 74 53.057 53.581 -0.524 1
1 749 . 7 1 1 A 74 74 ASP CB C 74 41.720 41.524 0.196 1
1 750 . 7 1 1 A 74 74 ASP N N 74 120.482 118.546 1.936 1
1 751 . 7 1 1 A 75 75 ASP H H 75 8.601 8.462 0.139 1
1 752 . 7 1 1 A 75 75 ASP HA H 75 4.375 4.323 0.052 1
1 755 . 7 1 1 A 75 75 ASP C C 75 176.590 176.817 -0.227 1
1 756 . 7 1 1 A 75 75 ASP CA C 75 56.760 56.179 0.581 1
1 757 . 7 1 1 A 75 75 ASP CB C 75 41.310 39.706 1.604 1
1 758 . 7 1 1 A 75 75 ASP N N 75 125.434 120.027 5.407 1
1 759 . 7 1 1 A 76 76 SER H H 76 8.558 7.871 0.687 1
1 760 . 7 1 1 A 76 76 SER HA H 76 4.463 4.484 -0.021 1
1 763 . 7 1 1 A 76 76 SER C C 76 175.630 173.594 2.036 1
1 764 . 7 1 1 A 76 76 SER CA C 76 59.320 58.315 1.005 1
1 765 . 7 1 1 A 76 76 SER CB C 76 64.255 63.658 0.597 1
1 766 . 7 1 1 A 76 76 SER N N 76 112.502 110.257 2.245 1
1 767 . 7 1 1 A 77 77 ARG H H 77 7.381 7.574 -0.193 1
1 768 . 7 1 1 A 77 77 ARG HA H 77 4.318 4.765 -0.447 1
1 775 . 7 1 1 A 77 77 ARG CA C 77 53.260 52.797 0.463 1
1 776 . 7 1 1 A 77 77 ARG CB C 77 30.880 31.698 -0.818 1
1 779 . 7 1 1 A 77 77 ARG N N 77 123.368 120.793 2.575 1
1 780 . 7 1 1 A 78 78 PRO HA H 78 4.697 4.507 0.190 1
1 787 . 7 1 1 A 78 78 PRO C C 78 178.090 178.102 -0.012 1
1 788 . 7 1 1 A 78 78 PRO CA C 78 61.970 63.442 -1.472 1
1 789 . 7 1 1 A 78 78 PRO CB C 78 31.380 32.024 -0.644 1
1 792 . 7 1 1 A 79 79 LEU H H 79 9.260 8.851 0.409 1
1 793 . 7 1 1 A 79 79 LEU HA H 79 4.099 4.224 -0.125 1
1 803 . 7 1 1 A 79 79 LEU C C 79 178.680 179.191 -0.511 1
1 804 . 7 1 1 A 79 79 LEU CA C 79 58.290 57.806 0.484 1
1 805 . 7 1 1 A 79 79 LEU CB C 79 42.160 41.633 0.527 1
1 809 . 7 1 1 A 79 79 LEU N N 79 124.739 126.465 -1.726 1
1 810 . 7 1 1 A 80 80 GLY H H 80 9.611 8.556 1.055 1
1 811 . 7 1 1 A 80 80 GLY HA2 H 80 4.003 3.939 0.064 1
1 812 . 7 1 1 A 80 80 GLY HA3 H 80 3.683 3.941 -0.258 1
1 813 . 7 1 1 A 80 80 GLY C C 80 175.850 175.598 0.252 1
1 814 . 7 1 1 A 80 80 GLY CA C 80 46.830 46.627 0.203 1
1 815 . 7 1 1 A 80 80 GLY N N 80 102.276 106.647 -4.371 1
1 816 . 7 1 1 A 81 81 PHE H H 81 8.177 8.099 0.078 1
1 817 . 7 1 1 A 81 81 PHE HA H 81 4.090 4.114 -0.024 1
1 822 . 7 1 1 A 81 81 PHE C C 81 175.810 177.635 -1.825 1
1 823 . 7 1 1 A 81 81 PHE CA C 81 60.560 60.984 -0.424 1
1 824 . 7 1 1 A 81 81 PHE CB C 81 39.640 39.101 0.539 1
1 827 . 7 1 1 A 81 81 PHE N N 81 123.413 122.770 0.643 1
1 828 . 7 1 1 A 82 82 PHE H H 82 7.733 8.395 -0.662 1
1 829 . 7 1 1 A 82 82 PHE HA H 82 4.171 4.081 0.090 1
1 834 . 7 1 1 A 82 82 PHE C C 82 172.960 175.383 -2.423 1
1 835 . 7 1 1 A 82 82 PHE CA C 82 57.730 61.407 -3.677 1
1 836 . 7 1 1 A 82 82 PHE CB C 82 38.670 39.340 -0.670 1
1 839 . 7 1 1 A 82 82 PHE N N 82 114.781 120.343 -5.562 1
1 840 . 7 1 1 A 83 83 SER H H 83 7.541 8.148 -0.607 1
1 841 . 7 1 1 A 83 83 SER HA H 83 3.898 4.236 -0.338 1
1 844 . 7 1 1 A 83 83 SER CA C 83 57.980 58.561 -0.581 1
1 845 . 7 1 1 A 83 83 SER CB C 83 61.882 61.737 0.145 1
1 846 . 7 1 1 A 83 83 SER N N 83 108.622 113.211 -4.589 1
1 847 . 7 1 1 A 85 85 PHE HA H 85 4.447 4.206 0.241 1
1 854 . 7 1 1 A 85 85 PHE C C 85 173.640 174.838 -1.198 1
1 855 . 7 1 1 A 85 85 PHE CA C 85 55.600 61.846 -6.246 1
1 856 . 7 1 1 A 85 85 PHE CB C 85 42.180 39.528 2.652 1
1 861 . 7 1 1 A 86 86 ASP H H 86 8.469 8.136 0.333 1
1 862 . 7 1 1 A 86 86 ASP HA H 86 4.934 4.504 0.430 1
1 865 . 7 1 1 A 86 86 ASP C C 86 177.910 175.559 2.351 1
1 866 . 7 1 1 A 86 86 ASP CA C 86 55.927 54.545 1.382 1
1 867 . 7 1 1 A 86 86 ASP CB C 86 41.109 40.842 0.267 1
1 868 . 7 1 1 A 86 86 ASP N N 86 119.276 118.546 0.730 1
1 869 . 7 1 1 A 87 87 GLY H H 87 9.163 8.337 0.826 1
1 870 . 7 1 1 A 87 87 GLY HA2 H 87 4.570 3.906 0.664 1
1 871 . 7 1 1 A 87 87 GLY HA3 H 87 3.701 4.091 -0.390 1
1 872 . 7 1 1 A 87 87 GLY C C 87 175.180 174.699 0.481 1
1 873 . 7 1 1 A 87 87 GLY CA C 87 45.540 46.271 -0.731 1
1 874 . 7 1 1 A 87 87 GLY N N 87 109.579 113.013 -3.434 1
1 875 . 7 1 1 A 88 88 PHE H H 88 8.270 7.666 0.604 1
1 876 . 7 1 1 A 88 88 PHE HA H 88 4.653 4.713 -0.060 1
1 883 . 7 1 1 A 88 88 PHE C C 88 172.620 175.651 -3.031 1
1 884 . 7 1 1 A 88 88 PHE CA C 88 57.570 58.119 -0.549 1
1 885 . 7 1 1 A 88 88 PHE CB C 88 38.750 40.401 -1.651 1
1 890 . 7 1 1 A 88 88 PHE N N 88 121.300 118.495 2.805 1
1 891 . 7 1 1 A 89 89 ARG H H 89 9.056 8.689 0.367 1
1 892 . 7 1 1 A 89 89 ARG HA H 89 5.652 4.839 0.813 1
1 899 . 7 1 1 A 89 89 ARG C C 89 174.990 175.325 -0.335 1
1 900 . 7 1 1 A 89 89 ARG CA C 89 54.067 56.100 -2.033 1
1 901 . 7 1 1 A 89 89 ARG CB C 89 35.630 31.159 4.471 1
1 904 . 7 1 1 A 89 89 ARG N N 89 120.200 121.879 -1.679 1
1 905 . 7 1 1 A 90 90 LEU H H 90 9.487 9.707 -0.220 1
1 906 . 7 1 1 A 90 90 LEU HA H 90 5.244 4.704 0.540 1
1 916 . 7 1 1 A 90 90 LEU C C 90 173.050 175.253 -2.203 1
1 917 . 7 1 1 A 90 90 LEU CA C 90 53.250 54.349 -1.099 1
1 918 . 7 1 1 A 90 90 LEU CB C 90 44.870 40.572 4.298 1
1 922 . 7 1 1 A 90 90 LEU N N 90 128.373 126.813 1.560 1
1 923 . 7 1 1 A 91 91 HIS H H 91 9.474 8.828 0.646 1
1 924 . 7 1 1 A 91 91 HIS HA H 91 5.357 5.131 0.226 1
1 929 . 7 1 1 A 91 91 HIS C C 91 173.870 173.375 0.495 1
1 930 . 7 1 1 A 91 91 HIS CA C 91 54.320 54.753 -0.433 1
1 931 . 7 1 1 A 91 91 HIS CB C 91 36.070 30.135 5.935 1
1 934 . 7 1 1 A 91 91 HIS N N 91 125.565 124.948 0.617 1
1 935 . 7 1 1 A 92 92 ILE H H 92 8.341 9.223 -0.882 1
1 936 . 7 1 1 A 92 92 ILE HA H 92 4.045 4.277 -0.232 1
1 946 . 7 1 1 A 92 92 ILE C C 92 173.350 175.489 -2.139 1
1 947 . 7 1 1 A 92 92 ILE CA C 92 61.380 60.778 0.602 1
1 948 . 7 1 1 A 92 92 ILE CB C 92 40.040 37.959 2.081 1
1 952 . 7 1 1 A 92 92 ILE N N 92 126.939 129.086 -2.147 1
1 953 . 7 1 1 A 93 93 ILE H H 93 8.754 8.485 0.269 1
1 954 . 7 1 1 A 93 93 ILE HA H 93 3.744 4.078 -0.334 1
1 964 . 7 1 1 A 93 93 ILE C C 93 174.450 174.959 -0.509 1
1 965 . 7 1 1 A 93 93 ILE CA C 93 60.480 61.114 -0.634 1
1 966 . 7 1 1 A 93 93 ILE CB C 93 41.250 37.441 3.809 1
1 970 . 7 1 1 A 93 93 ILE N N 93 126.486 128.917 -2.431 1
1 971 . 7 1 1 A 94 94 ASP H H 94 7.976 8.829 -0.853 1
1 972 . 7 1 1 A 94 94 ASP HA H 94 4.881 4.693 0.188 1
1 975 . 7 1 1 A 94 94 ASP C C 94 176.710 176.747 -0.037 1
1 976 . 7 1 1 A 94 94 ASP CA C 94 52.170 53.695 -1.525 1
1 977 . 7 1 1 A 94 94 ASP CB C 94 42.000 39.655 2.345 1
1 978 . 7 1 1 A 94 94 ASP N N 94 124.752 129.073 -4.321 1
1 979 . 7 1 1 A 95 95 LEU H H 95 9.218 7.977 1.241 1
1 980 . 7 1 1 A 95 95 LEU HA H 95 4.111 4.661 -0.550 1
1 990 . 7 1 1 A 95 95 LEU C C 95 177.230 176.757 0.473 1
1 991 . 7 1 1 A 95 95 LEU CA C 95 55.553 54.288 1.265 1
1 992 . 7 1 1 A 95 95 LEU CB C 95 42.380 42.573 -0.193 1
1 996 . 7 1 1 A 95 95 LEU N N 95 126.286 119.862 6.424 1
1 997 . 7 1 1 A 96 96 ASP H H 96 8.762 7.442 1.320 1
1 998 . 7 1 1 A 96 96 ASP HA H 96 4.946 4.765 0.181 1
1 1001 . 7 1 1 A 96 96 ASP CA C 96 52.598 52.221 0.377 1
1 1002 . 7 1 1 A 96 96 ASP CB C 96 41.400 41.066 0.334 1
1 1 . 8 1 1 A 10 10 HIS HA H 10 4.439 5.074 -0.635 1
1 4 . 8 1 1 A 10 10 HIS CA C 10 55.740 53.690 2.050 1
1 5 . 8 1 1 A 10 10 HIS CB C 10 32.490 31.029 1.461 1
1 6 . 8 1 1 A 11 11 GLY H H 11 8.463 8.968 -0.505 1
1 7 . 8 1 1 A 11 11 GLY HA2 H 11 3.930 3.771 0.159 1
1 8 . 8 1 1 A 11 11 GLY HA3 H 11 3.989 3.808 0.181 1
1 9 . 8 1 1 A 11 11 GLY C C 11 173.720 173.575 0.145 1
1 10 . 8 1 1 A 11 11 GLY CA C 11 45.450 47.290 -1.840 1
1 11 . 8 1 1 A 11 11 GLY N N 11 110.200 111.505 -1.305 1
1 12 . 8 1 1 A 12 12 ASP H H 12 8.174 8.625 -0.451 1
1 13 . 8 1 1 A 12 12 ASP HA H 12 4.656 4.593 0.063 1
1 16 . 8 1 1 A 12 12 ASP C C 12 174.950 177.073 -2.123 1
1 17 . 8 1 1 A 12 12 ASP CA C 12 54.140 56.080 -1.940 1
1 18 . 8 1 1 A 12 12 ASP CB C 12 41.370 41.571 -0.201 1
1 19 . 8 1 1 A 12 12 ASP N N 12 120.300 124.243 -3.943 1
1 20 . 8 1 1 A 13 13 ASP H H 13 8.405 8.281 0.124 1
1 21 . 8 1 1 A 13 13 ASP HA H 13 4.630 4.707 -0.077 1
1 24 . 8 1 1 A 13 13 ASP C C 13 176.040 176.334 -0.294 1
1 25 . 8 1 1 A 13 13 ASP CA C 13 53.910 55.110 -1.200 1
1 26 . 8 1 1 A 13 13 ASP CB C 13 40.840 42.015 -1.175 1
1 27 . 8 1 1 A 13 13 ASP N N 13 121.700 115.478 6.222 1
1 28 . 8 1 1 A 14 14 SER H H 14 8.120 7.487 0.633 1
1 29 . 8 1 1 A 14 14 SER HA H 14 4.570 4.460 0.110 1
1 32 . 8 1 1 A 14 14 SER C C 14 173.350 173.704 -0.354 1
1 33 . 8 1 1 A 14 14 SER CA C 14 59.250 57.625 1.625 1
1 34 . 8 1 1 A 14 14 SER CB C 14 64.956 63.105 1.851 1
1 35 . 8 1 1 A 14 14 SER N N 14 114.400 112.850 1.550 1
1 36 . 8 1 1 A 15 15 VAL H H 15 8.859 8.023 0.836 1
1 37 . 8 1 1 A 15 15 VAL HA H 15 4.754 4.230 0.524 1
1 45 . 8 1 1 A 15 15 VAL C C 15 174.290 175.451 -1.161 1
1 46 . 8 1 1 A 15 15 VAL CA C 15 59.546 61.494 -1.948 1
1 47 . 8 1 1 A 15 15 VAL CB C 15 34.830 32.871 1.959 1
1 50 . 8 1 1 A 15 15 VAL N N 15 118.659 122.734 -4.075 1
1 51 . 8 1 1 A 16 16 HIS H H 16 9.376 9.070 0.306 1
1 52 . 8 1 1 A 16 16 HIS HA H 16 5.030 5.422 -0.392 1
1 56 . 8 1 1 A 16 16 HIS C C 16 173.700 174.753 -1.053 1
1 57 . 8 1 1 A 16 16 HIS CA C 16 54.914 54.122 0.792 1
1 58 . 8 1 1 A 16 16 HIS CB C 16 30.300 32.467 -2.167 1
1 60 . 8 1 1 A 16 16 HIS N N 16 126.974 120.817 6.157 1
1 61 . 8 1 1 A 17 17 LEU H H 17 8.888 8.982 -0.094 1
1 62 . 8 1 1 A 17 17 LEU HA H 17 5.100 5.035 0.065 1
1 72 . 8 1 1 A 17 17 LEU C C 17 175.750 176.089 -0.339 1
1 73 . 8 1 1 A 17 17 LEU CA C 17 53.160 53.543 -0.383 1
1 74 . 8 1 1 A 17 17 LEU CB C 17 44.890 44.366 0.524 1
1 78 . 8 1 1 A 17 17 LEU N N 17 126.426 121.996 4.430 1
1 79 . 8 1 1 A 18 18 HIS H H 18 8.610 8.645 -0.035 1
1 80 . 8 1 1 A 18 18 HIS HA H 18 5.191 4.922 0.269 1
1 84 . 8 1 1 A 18 18 HIS C C 18 174.120 173.545 0.575 1
1 85 . 8 1 1 A 18 18 HIS CA C 18 55.120 55.725 -0.605 1
1 86 . 8 1 1 A 18 18 HIS CB C 18 31.000 32.115 -1.115 1
1 88 . 8 1 1 A 18 18 HIS N N 18 120.309 118.208 2.101 1
1 89 . 8 1 1 A 19 19 ILE H H 19 9.050 9.054 -0.004 1
1 90 . 8 1 1 A 19 19 ILE HA H 19 5.704 4.637 1.067 1
1 100 . 8 1 1 A 19 19 ILE C C 19 175.890 175.436 0.454 1
1 101 . 8 1 1 A 19 19 ILE CA C 19 60.250 61.830 -1.580 1
1 102 . 8 1 1 A 19 19 ILE CB C 19 40.500 38.415 2.085 1
1 106 . 8 1 1 A 19 19 ILE N N 19 123.672 125.881 -2.209 1
1 107 . 8 1 1 A 20 20 THR H H 20 9.224 9.047 0.177 1
1 108 . 8 1 1 A 20 20 THR HA H 20 4.970 5.299 -0.329 1
1 110 . 8 1 1 A 20 20 THR C C 20 172.920 173.765 -0.845 1
1 111 . 8 1 1 A 20 20 THR CA C 20 60.960 61.624 -0.664 1
1 112 . 8 1 1 A 20 20 THR CB C 20 71.732 72.354 -0.622 1
1 114 . 8 1 1 A 20 20 THR N N 20 117.905 123.144 -5.239 1
1 115 . 8 1 1 A 21 21 HIS H H 21 9.755 8.582 1.173 1
1 116 . 8 1 1 A 21 21 HIS HA H 21 5.053 5.092 -0.039 1
1 121 . 8 1 1 A 21 21 HIS C C 21 175.830 175.630 0.200 1
1 122 . 8 1 1 A 21 21 HIS CA C 21 55.561 55.131 0.430 1
1 123 . 8 1 1 A 21 21 HIS CB C 21 36.450 33.553 2.897 1
1 126 . 8 1 1 A 21 21 HIS N N 21 122.170 123.136 -0.966 1
1 127 . 8 1 1 A 22 22 ALA H H 22 9.098 9.107 -0.009 1
1 128 . 8 1 1 A 22 22 ALA HA H 22 4.116 4.228 -0.112 1
1 132 . 8 1 1 A 22 22 ALA C C 22 178.340 179.113 -0.773 1
1 133 . 8 1 1 A 22 22 ALA CA C 22 54.670 54.516 0.154 1
1 134 . 8 1 1 A 22 22 ALA CB C 22 20.870 19.048 1.822 1
1 135 . 8 1 1 A 22 22 ALA N N 22 128.332 123.520 4.812 1
1 136 . 8 1 1 A 23 23 ASN H H 23 10.395 8.843 1.552 1
1 137 . 8 1 1 A 23 23 ASN HA H 23 5.066 4.526 0.540 1
1 142 . 8 1 1 A 23 23 ASN C C 23 175.090 175.693 -0.603 1
1 143 . 8 1 1 A 23 23 ASN CA C 23 53.649 56.550 -2.901 1
1 144 . 8 1 1 A 23 23 ASN CB C 23 41.160 38.983 2.177 1
1 145 . 8 1 1 A 23 23 ASN N N 23 116.400 117.739 -1.339 1
1 147 . 8 1 1 A 24 24 LEU H H 24 7.752 7.958 -0.206 1
1 148 . 8 1 1 A 24 24 LEU HA H 24 4.637 4.506 0.131 1
1 157 . 8 1 1 A 24 24 LEU C C 24 176.810 176.783 0.027 1
1 158 . 8 1 1 A 24 24 LEU CA C 24 53.380 54.444 -1.064 1
1 159 . 8 1 1 A 24 24 LEU CB C 24 41.630 40.380 1.250 1
1 162 . 8 1 1 A 24 24 LEU N N 24 122.870 118.539 4.331 1
1 163 . 8 1 1 A 25 25 LYS H H 25 8.491 8.522 -0.031 1
1 164 . 8 1 1 A 25 25 LYS HA H 25 4.196 4.157 0.039 1
1 171 . 8 1 1 A 25 25 LYS C C 25 177.530 176.999 0.531 1
1 172 . 8 1 1 A 25 25 LYS CA C 25 59.270 59.462 -0.192 1
1 173 . 8 1 1 A 25 25 LYS CB C 25 32.300 32.554 -0.254 1
1 177 . 8 1 1 A 25 25 LYS N N 25 124.310 127.231 -2.921 1
1 178 . 8 1 1 A 26 26 SER H H 26 8.512 7.964 0.548 1
1 179 . 8 1 1 A 26 26 SER HA H 26 4.513 4.617 -0.104 1
1 182 . 8 1 1 A 26 26 SER C C 26 174.090 173.590 0.500 1
1 183 . 8 1 1 A 26 26 SER CA C 26 58.200 58.356 -0.156 1
1 184 . 8 1 1 A 26 26 SER CB C 26 63.487 61.447 2.040 1
1 185 . 8 1 1 A 26 26 SER N N 26 111.482 114.758 -3.276 1
1 186 . 8 1 1 A 27 27 PHE H H 27 7.723 8.369 -0.646 1
1 187 . 8 1 1 A 27 27 PHE HA H 27 4.463 4.986 -0.523 1
1 194 . 8 1 1 A 27 27 PHE C C 27 175.270 173.489 1.781 1
1 195 . 8 1 1 A 27 27 PHE CA C 27 59.290 57.651 1.639 1
1 196 . 8 1 1 A 27 27 PHE CB C 27 40.440 41.718 -1.278 1
1 201 . 8 1 1 A 27 27 PHE N N 27 123.451 126.933 -3.482 1
1 202 . 8 1 1 A 28 28 SER H H 28 7.702 8.756 -1.054 1
1 203 . 8 1 1 A 28 28 SER HA H 28 4.630 4.527 0.103 1
1 206 . 8 1 1 A 28 28 SER C C 28 172.060 173.038 -0.978 1
1 207 . 8 1 1 A 28 28 SER CA C 28 57.700 56.797 0.903 1
1 208 . 8 1 1 A 28 28 SER CB C 28 64.600 64.165 0.435 1
1 209 . 8 1 1 A 28 28 SER N N 28 123.039 123.603 -0.564 1
1 210 . 8 1 1 A 29 29 ALA H H 29 8.154 7.663 0.491 1
1 211 . 8 1 1 A 29 29 ALA HA H 29 4.655 5.031 -0.376 1
1 215 . 8 1 1 A 29 29 ALA C C 29 174.090 175.114 -1.024 1
1 216 . 8 1 1 A 29 29 ALA CA C 29 51.300 50.562 0.738 1
1 217 . 8 1 1 A 29 29 ALA CB C 29 22.900 23.108 -0.208 1
1 218 . 8 1 1 A 29 29 ALA N N 29 124.700 126.683 -1.983 1
1 219 . 8 1 1 A 30 30 ASP H H 30 8.395 8.805 -0.410 1
1 220 . 8 1 1 A 30 30 ASP HA H 30 5.532 5.101 0.431 1
1 223 . 8 1 1 A 30 30 ASP C C 30 174.320 173.721 0.599 1
1 224 . 8 1 1 A 30 30 ASP CA C 30 53.870 53.674 0.196 1
1 225 . 8 1 1 A 30 30 ASP CB C 30 44.420 44.144 0.276 1
1 226 . 8 1 1 A 30 30 ASP N N 30 117.900 116.744 1.156 1
1 227 . 8 1 1 A 31 31 ALA H H 31 8.866 8.843 0.023 1
1 228 . 8 1 1 A 31 31 ALA HA H 31 4.554 5.167 -0.613 1
1 232 . 8 1 1 A 31 31 ALA C C 31 174.240 176.023 -1.783 1
1 233 . 8 1 1 A 31 31 ALA CA C 31 51.710 49.977 1.733 1
1 234 . 8 1 1 A 31 31 ALA CB C 31 22.710 21.877 0.833 1
1 235 . 8 1 1 A 31 31 ALA N N 31 121.463 121.940 -0.477 1
1 236 . 8 1 1 A 32 32 ARG H H 32 8.056 8.223 -0.167 1
1 237 . 8 1 1 A 32 32 ARG HA H 32 5.232 4.427 0.805 1
1 244 . 8 1 1 A 32 32 ARG C C 32 175.610 175.899 -0.289 1
1 245 . 8 1 1 A 32 32 ARG CA C 32 54.780 56.065 -1.285 1
1 246 . 8 1 1 A 32 32 ARG CB C 32 31.840 30.336 1.504 1
1 249 . 8 1 1 A 32 32 ARG N N 32 119.065 122.208 -3.143 1
1 250 . 8 1 1 A 33 33 PHE H H 33 8.787 8.619 0.168 1
1 251 . 8 1 1 A 33 33 PHE HA H 33 4.900 5.160 -0.260 1
1 258 . 8 1 1 A 33 33 PHE C C 33 175.050 175.256 -0.206 1
1 259 . 8 1 1 A 33 33 PHE CA C 33 55.790 56.654 -0.864 1
1 260 . 8 1 1 A 33 33 PHE CB C 33 43.300 43.947 -0.647 1
1 265 . 8 1 1 A 33 33 PHE N N 33 119.356 121.479 -2.123 1
1 266 . 8 1 1 A 34 34 SER H H 34 8.361 8.941 -0.580 1
1 267 . 8 1 1 A 34 34 SER HA H 34 4.910 5.042 -0.132 1
1 268 . 8 1 1 A 34 34 SER CA C 34 55.270 56.617 -1.347 1
1 269 . 8 1 1 A 34 34 SER CB C 34 64.310 63.411 0.899 1
1 270 . 8 1 1 A 34 34 SER N N 34 118.000 115.245 2.755 1
1 271 . 8 1 1 A 35 35 PRO HA H 35 4.183 4.615 -0.432 1
1 278 . 8 1 1 A 35 35 PRO C C 35 176.460 176.722 -0.262 1
1 279 . 8 1 1 A 35 35 PRO CA C 35 64.120 64.228 -0.108 1
1 280 . 8 1 1 A 35 35 PRO CB C 35 32.140 31.511 0.629 1
1 283 . 8 1 1 A 36 36 GLN H H 36 8.013 8.151 -0.138 1
1 284 . 8 1 1 A 36 36 GLN HA H 36 4.278 4.536 -0.258 1
1 291 . 8 1 1 A 36 36 GLN C C 36 176.630 175.843 0.787 1
1 292 . 8 1 1 A 36 36 GLN CA C 36 56.600 55.890 0.710 1
1 293 . 8 1 1 A 36 36 GLN CB C 36 29.380 29.480 -0.100 1
1 295 . 8 1 1 A 36 36 GLN N N 36 114.700 117.217 -2.517 1
1 297 . 8 1 1 A 37 37 MET H H 37 7.628 7.376 0.252 1
1 298 . 8 1 1 A 37 37 MET HA H 37 4.314 4.441 -0.127 1
1 303 . 8 1 1 A 37 37 MET C C 37 174.480 175.222 -0.742 1
1 304 . 8 1 1 A 37 37 MET CA C 37 56.260 55.112 1.148 1
1 305 . 8 1 1 A 37 37 MET CB C 37 34.890 33.109 1.781 1
1 307 . 8 1 1 A 37 37 MET N N 37 120.895 122.541 -1.646 1
1 308 . 8 1 1 A 38 38 SER H H 38 8.740 8.680 0.060 1
1 309 . 8 1 1 A 38 38 SER HA H 38 4.650 4.941 -0.291 1
1 312 . 8 1 1 A 38 38 SER C C 38 175.320 175.766 -0.446 1
1 313 . 8 1 1 A 38 38 SER CA C 38 57.555 57.325 0.230 1
1 314 . 8 1 1 A 38 38 SER CB C 38 64.800 64.652 0.148 1
1 315 . 8 1 1 A 38 38 SER N N 38 119.800 119.994 -0.194 1
1 316 . 8 1 1 A 39 39 VAL H H 39 8.619 8.687 -0.068 1
1 317 . 8 1 1 A 39 39 VAL HA H 39 3.405 3.634 -0.229 1
1 325 . 8 1 1 A 39 39 VAL C C 39 177.950 177.808 0.142 1
1 326 . 8 1 1 A 39 39 VAL CA C 39 68.010 66.158 1.852 1
1 327 . 8 1 1 A 39 39 VAL CB C 39 31.830 31.368 0.462 1
1 330 . 8 1 1 A 39 39 VAL N N 39 122.324 122.246 0.078 1
1 331 . 8 1 1 A 40 40 GLU H H 40 8.737 7.924 0.813 1
1 332 . 8 1 1 A 40 40 GLU HA H 40 3.743 3.983 -0.240 1
1 337 . 8 1 1 A 40 40 GLU C C 40 177.450 178.410 -0.960 1
1 338 . 8 1 1 A 40 40 GLU CA C 40 60.570 59.367 1.203 1
1 339 . 8 1 1 A 40 40 GLU CB C 40 30.000 29.386 0.614 1
1 341 . 8 1 1 A 40 40 GLU N N 40 120.358 120.751 -0.393 1
1 342 . 8 1 1 A 41 41 ALA H H 41 8.056 7.795 0.261 1
1 343 . 8 1 1 A 41 41 ALA HA H 41 4.275 4.088 0.187 1
1 347 . 8 1 1 A 41 41 ALA C C 41 181.560 180.047 1.513 1
1 348 . 8 1 1 A 41 41 ALA CA C 41 55.080 55.032 0.048 1
1 349 . 8 1 1 A 41 41 ALA CB C 41 18.570 18.427 0.143 1
1 350 . 8 1 1 A 41 41 ALA N N 41 123.045 121.402 1.643 1
1 351 . 8 1 1 A 42 42 VAL H H 42 8.519 7.882 0.637 1
1 352 . 8 1 1 A 42 42 VAL HA H 42 3.456 3.829 -0.373 1
1 360 . 8 1 1 A 42 42 VAL C C 42 177.950 177.518 0.432 1
1 361 . 8 1 1 A 42 42 VAL CA C 42 67.440 65.006 2.434 1
1 362 . 8 1 1 A 42 42 VAL CB C 42 31.370 31.318 0.052 1
1 365 . 8 1 1 A 42 42 VAL N N 42 122.576 117.524 5.052 1
1 366 . 8 1 1 A 43 43 LYS H H 43 8.660 7.584 1.076 1
1 367 . 8 1 1 A 43 43 LYS HA H 43 3.905 3.892 0.013 1
1 374 . 8 1 1 A 43 43 LYS C C 43 178.490 179.695 -1.205 1
1 375 . 8 1 1 A 43 43 LYS CA C 43 61.080 60.423 0.657 1
1 376 . 8 1 1 A 43 43 LYS CB C 43 33.450 32.163 1.287 1
1 380 . 8 1 1 A 43 43 LYS N N 43 118.752 122.404 -3.652 1
1 381 . 8 1 1 A 44 44 GLU H H 44 8.109 7.712 0.397 1
1 382 . 8 1 1 A 44 44 GLU HA H 44 4.100 4.286 -0.186 1
1 387 . 8 1 1 A 44 44 GLU C C 44 178.760 180.087 -1.327 1
1 388 . 8 1 1 A 44 44 GLU CA C 44 60.560 59.162 1.398 1
1 389 . 8 1 1 A 44 44 GLU CB C 44 29.700 29.378 0.322 1
1 391 . 8 1 1 A 44 44 GLU N N 44 118.904 119.979 -1.075 1
1 392 . 8 1 1 A 45 45 LYS H H 45 7.868 7.506 0.362 1
1 393 . 8 1 1 A 45 45 LYS HA H 45 4.147 4.209 -0.062 1
1 400 . 8 1 1 A 45 45 LYS C C 45 180.020 179.411 0.609 1
1 401 . 8 1 1 A 45 45 LYS CA C 45 59.210 58.852 0.358 1
1 402 . 8 1 1 A 45 45 LYS CB C 45 32.540 31.664 0.876 1
1 406 . 8 1 1 A 45 45 LYS N N 45 118.353 121.232 -2.879 1
1 407 . 8 1 1 A 46 46 LEU H H 46 8.538 8.020 0.518 1
1 408 . 8 1 1 A 46 46 LEU HA H 46 4.147 4.170 -0.023 1
1 418 . 8 1 1 A 46 46 LEU C C 46 179.950 179.280 0.670 1
1 419 . 8 1 1 A 46 46 LEU CA C 46 57.900 57.688 0.212 1
1 420 . 8 1 1 A 46 46 LEU CB C 46 40.800 42.037 -1.237 1
1 424 . 8 1 1 A 46 46 LEU N N 46 118.568 119.119 -0.551 1
1 425 . 8 1 1 A 47 47 TRP H H 47 9.308 8.590 0.718 1
1 426 . 8 1 1 A 47 47 TRP HA H 47 4.636 4.149 0.487 1
1 435 . 8 1 1 A 47 47 TRP C C 47 179.040 177.609 1.431 1
1 436 . 8 1 1 A 47 47 TRP CA C 47 60.312 60.444 -0.132 1
1 437 . 8 1 1 A 47 47 TRP CB C 47 28.080 29.806 -1.726 1
1 443 . 8 1 1 A 47 47 TRP N N 47 127.808 121.210 6.598 1
1 445 . 8 1 1 A 48 48 LYS H H 48 7.362 8.328 -0.966 1
1 446 . 8 1 1 A 48 48 LYS HA H 48 3.238 3.983 -0.745 1
1 453 . 8 1 1 A 48 48 LYS C C 48 177.660 176.671 0.989 1
1 454 . 8 1 1 A 48 48 LYS CA C 48 58.360 57.141 1.219 1
1 455 . 8 1 1 A 48 48 LYS CB C 48 32.090 32.012 0.078 1
1 459 . 8 1 1 A 48 48 LYS N N 48 118.583 117.963 0.620 1
1 460 . 8 1 1 A 49 49 LYS H H 49 7.339 8.117 -0.778 1
1 461 . 8 1 1 A 49 49 LYS HA H 49 4.388 4.608 -0.220 1
1 468 . 8 1 1 A 49 49 LYS C C 49 177.120 178.281 -1.161 1
1 469 . 8 1 1 A 49 49 LYS CA C 49 57.469 57.627 -0.158 1
1 470 . 8 1 1 A 49 49 LYS CB C 49 33.990 35.549 -1.559 1
1 474 . 8 1 1 A 49 49 LYS N N 49 114.530 119.684 -5.154 1
1 475 . 8 1 1 A 50 50 CYS H H 50 8.092 8.400 -0.308 1
1 476 . 8 1 1 A 50 50 CYS HA H 50 4.880 4.456 0.424 1
1 479 . 8 1 1 A 50 50 CYS C C 50 174.560 175.423 -0.863 1
1 480 . 8 1 1 A 50 50 CYS CA C 50 57.213 59.442 -2.229 1
1 481 . 8 1 1 A 50 50 CYS CB C 50 31.470 28.376 3.094 1
1 482 . 8 1 1 A 50 50 CYS N N 50 110.536 115.874 -5.338 1
1 483 . 8 1 1 A 51 51 GLY H H 51 8.644 8.200 0.444 1
1 484 . 8 1 1 A 51 51 GLY HA2 H 51 4.248 3.872 0.376 1
1 485 . 8 1 1 A 51 51 GLY HA3 H 51 3.650 3.921 -0.271 1
1 486 . 8 1 1 A 51 51 GLY C C 51 173.800 174.386 -0.586 1
1 487 . 8 1 1 A 51 51 GLY CA C 51 46.390 45.792 0.598 1
1 488 . 8 1 1 A 51 51 GLY N N 51 113.666 110.208 3.458 1
1 489 . 8 1 1 A 52 52 THR H H 52 7.781 7.862 -0.081 1
1 490 . 8 1 1 A 52 52 THR HA H 52 4.277 4.377 -0.100 1
1 495 . 8 1 1 A 52 52 THR C C 52 172.080 173.744 -1.664 1
1 496 . 8 1 1 A 52 52 THR CA C 52 63.630 62.599 1.031 1
1 497 . 8 1 1 A 52 52 THR CB C 52 69.720 69.720 0.000 1
1 499 . 8 1 1 A 52 52 THR N N 52 121.643 117.875 3.768 1
1 500 . 8 1 1 A 53 53 SER H H 53 8.606 8.834 -0.228 1
1 501 . 8 1 1 A 53 53 SER HA H 53 3.775 4.520 -0.745 1
1 504 . 8 1 1 A 53 53 SER C C 53 175.890 175.926 -0.036 1
1 505 . 8 1 1 A 53 53 SER CA C 53 58.590 59.199 -0.609 1
1 506 . 8 1 1 A 53 53 SER CB C 53 63.620 63.701 -0.081 1
1 507 . 8 1 1 A 53 53 SER N N 53 120.903 121.795 -0.892 1
1 508 . 8 1 1 A 54 54 VAL H H 54 7.895 8.698 -0.803 1
1 509 . 8 1 1 A 54 54 VAL HA H 54 3.563 4.056 -0.493 1
1 517 . 8 1 1 A 54 54 VAL C C 54 178.260 177.290 0.970 1
1 518 . 8 1 1 A 54 54 VAL CA C 54 66.600 63.286 3.314 1
1 519 . 8 1 1 A 54 54 VAL CB C 54 31.630 31.591 0.039 1
1 522 . 8 1 1 A 54 54 VAL N N 54 121.121 123.084 -1.963 1
1 523 . 8 1 1 A 55 55 ASN H H 55 8.148 8.077 0.071 1
1 524 . 8 1 1 A 55 55 ASN HA H 55 4.496 4.457 0.039 1
1 529 . 8 1 1 A 55 55 ASN C C 55 175.640 176.780 -1.140 1
1 530 . 8 1 1 A 55 55 ASN CA C 55 54.875 55.961 -1.086 1
1 531 . 8 1 1 A 55 55 ASN CB C 55 38.120 38.435 -0.315 1
1 532 . 8 1 1 A 55 55 ASN N N 55 115.018 121.454 -6.436 1
1 534 . 8 1 1 A 56 56 SER H H 56 7.559 7.508 0.051 1
1 535 . 8 1 1 A 56 56 SER HA H 56 4.585 4.616 -0.031 1
1 538 . 8 1 1 A 56 56 SER C C 56 171.180 173.589 -2.409 1
1 539 . 8 1 1 A 56 56 SER CA C 56 57.260 58.496 -1.236 1
1 540 . 8 1 1 A 56 56 SER CB C 56 64.260 63.853 0.407 1
1 541 . 8 1 1 A 56 56 SER N N 56 114.545 111.808 2.737 1
1 542 . 8 1 1 A 57 57 MET H H 57 7.177 7.362 -0.185 1
1 543 . 8 1 1 A 57 57 MET HA H 57 4.785 4.876 -0.091 1
1 548 . 8 1 1 A 57 57 MET C C 57 175.400 174.367 1.033 1
1 549 . 8 1 1 A 57 57 MET CA C 57 55.631 54.116 1.515 1
1 550 . 8 1 1 A 57 57 MET CB C 57 36.740 34.942 1.798 1
1 552 . 8 1 1 A 57 57 MET N N 57 120.883 120.957 -0.074 1
1 553 . 8 1 1 A 58 58 ALA H H 58 9.226 8.904 0.322 1
1 554 . 8 1 1 A 58 58 ALA HA H 58 4.723 4.998 -0.275 1
1 558 . 8 1 1 A 58 58 ALA C C 58 175.360 175.664 -0.304 1
1 559 . 8 1 1 A 58 58 ALA CA C 58 50.327 50.439 -0.112 1
1 560 . 8 1 1 A 58 58 ALA CB C 58 21.580 20.456 1.124 1
1 561 . 8 1 1 A 58 58 ALA N N 58 129.559 130.220 -0.661 1
1 562 . 8 1 1 A 59 59 LEU H H 59 8.307 9.112 -0.805 1
1 563 . 8 1 1 A 59 59 LEU HA H 59 5.393 4.775 0.618 1
1 573 . 8 1 1 A 59 59 LEU C C 59 175.470 175.002 0.468 1
1 574 . 8 1 1 A 59 59 LEU CA C 59 52.970 53.759 -0.789 1
1 575 . 8 1 1 A 59 59 LEU CB C 59 47.410 42.498 4.912 1
1 579 . 8 1 1 A 59 59 LEU N N 59 118.793 124.131 -5.338 1
1 580 . 8 1 1 A 60 60 GLU H H 60 8.978 8.965 0.013 1
1 581 . 8 1 1 A 60 60 GLU HA H 60 4.789 4.836 -0.047 1
1 586 . 8 1 1 A 60 60 GLU C C 60 173.670 174.542 -0.872 1
1 587 . 8 1 1 A 60 60 GLU CA C 60 54.246 54.890 -0.644 1
1 588 . 8 1 1 A 60 60 GLU CB C 60 35.470 30.976 4.494 1
1 590 . 8 1 1 A 60 60 GLU N N 60 121.100 125.312 -4.212 1
1 591 . 8 1 1 A 61 61 LEU H H 61 8.651 8.681 -0.030 1
1 592 . 8 1 1 A 61 61 LEU HA H 61 5.541 4.778 0.763 1
1 602 . 8 1 1 A 61 61 LEU C C 61 174.270 174.074 0.196 1
1 603 . 8 1 1 A 61 61 LEU CA C 61 53.120 53.513 -0.393 1
1 604 . 8 1 1 A 61 61 LEU CB C 61 46.890 43.386 3.504 1
1 608 . 8 1 1 A 61 61 LEU N N 61 122.689 128.875 -6.186 1
1 609 . 8 1 1 A 62 62 TYR H H 62 10.028 9.266 0.762 1
1 610 . 8 1 1 A 62 62 TYR HA H 62 5.096 5.660 -0.564 1
1 617 . 8 1 1 A 62 62 TYR C C 62 175.180 175.379 -0.199 1
1 618 . 8 1 1 A 62 62 TYR CA C 62 56.520 57.359 -0.839 1
1 619 . 8 1 1 A 62 62 TYR CB C 62 42.520 40.658 1.862 1
1 624 . 8 1 1 A 62 62 TYR N N 62 126.875 127.680 -0.805 1
1 625 . 8 1 1 A 63 63 ASP H H 63 8.573 8.437 0.136 1
1 626 . 8 1 1 A 63 63 ASP HA H 63 2.824 5.440 -2.616 1
1 629 . 8 1 1 A 63 63 ASP C C 63 176.470 176.140 0.330 1
1 630 . 8 1 1 A 63 63 ASP CA C 63 51.490 51.946 -0.456 1
1 631 . 8 1 1 A 63 63 ASP CB C 63 41.490 42.529 -1.039 1
1 632 . 8 1 1 A 63 63 ASP N N 63 118.563 122.158 -3.595 1
1 633 . 8 1 1 A 64 64 ASP H H 64 8.319 8.800 -0.481 1
1 634 . 8 1 1 A 64 64 ASP HA H 64 4.396 4.713 -0.317 1
1 637 . 8 1 1 A 64 64 ASP C C 64 176.670 177.063 -0.393 1
1 638 . 8 1 1 A 64 64 ASP CA C 64 55.270 54.367 0.903 1
1 639 . 8 1 1 A 64 64 ASP CB C 64 39.540 41.349 -1.809 1
1 640 . 8 1 1 A 64 64 ASP N N 64 114.728 119.698 -4.970 1
1 641 . 8 1 1 A 65 65 SER H H 65 8.305 8.474 -0.169 1
1 642 . 8 1 1 A 65 65 SER HA H 65 4.640 4.621 0.019 1
1 645 . 8 1 1 A 65 65 SER C C 65 174.700 175.503 -0.803 1
1 646 . 8 1 1 A 65 65 SER CA C 65 58.550 58.920 -0.370 1
1 647 . 8 1 1 A 65 65 SER CB C 65 64.393 64.368 0.025 1
1 648 . 8 1 1 A 65 65 SER N N 65 115.837 110.727 5.110 1
1 649 . 8 1 1 A 66 66 GLY H H 66 7.876 8.573 -0.697 1
1 650 . 8 1 1 A 66 66 GLY HA2 H 66 4.284 4.139 0.145 1
1 651 . 8 1 1 A 66 66 GLY HA3 H 66 3.679 4.165 -0.486 1
1 652 . 8 1 1 A 66 66 GLY C C 66 174.550 173.794 0.756 1
1 653 . 8 1 1 A 66 66 GLY CA C 66 45.570 44.746 0.824 1
1 654 . 8 1 1 A 66 66 GLY N N 66 109.151 110.457 -1.306 1
1 655 . 8 1 1 A 67 67 SER H H 67 8.416 8.401 0.015 1
1 656 . 8 1 1 A 67 67 SER HA H 67 4.583 4.886 -0.303 1
1 659 . 8 1 1 A 67 67 SER C C 67 173.680 173.870 -0.190 1
1 660 . 8 1 1 A 67 67 SER CA C 67 58.070 58.981 -0.911 1
1 661 . 8 1 1 A 67 67 SER CB C 67 63.300 65.030 -1.730 1
1 662 . 8 1 1 A 67 67 SER N N 67 119.156 115.540 3.616 1
1 663 . 8 1 1 A 68 68 LYS H H 68 8.880 8.079 0.801 1
1 664 . 8 1 1 A 68 68 LYS HA H 68 3.233 4.864 -1.631 1
1 671 . 8 1 1 A 68 68 LYS C C 68 176.440 177.042 -0.602 1
1 672 . 8 1 1 A 68 68 LYS CA C 68 57.920 55.669 2.251 1
1 673 . 8 1 1 A 68 68 LYS CB C 68 31.822 33.722 -1.900 1
1 677 . 8 1 1 A 68 68 LYS N N 68 128.005 119.280 8.725 1
1 678 . 8 1 1 A 69 69 VAL H H 69 9.215 8.709 0.506 1
1 679 . 8 1 1 A 69 69 VAL HA H 69 4.185 4.564 -0.379 1
1 687 . 8 1 1 A 69 69 VAL C C 69 176.170 175.647 0.523 1
1 688 . 8 1 1 A 69 69 VAL CA C 69 62.860 60.657 2.203 1
1 689 . 8 1 1 A 69 69 VAL CB C 69 33.660 31.655 2.005 1
1 692 . 8 1 1 A 69 69 VAL N N 69 126.574 118.055 8.519 1
1 693 . 8 1 1 A 70 70 ALA H H 70 7.647 7.743 -0.096 1
1 694 . 8 1 1 A 70 70 ALA HA H 70 4.614 4.238 0.376 1
1 698 . 8 1 1 A 70 70 ALA C C 70 175.170 176.773 -1.603 1
1 699 . 8 1 1 A 70 70 ALA CA C 70 52.400 51.890 0.510 1
1 700 . 8 1 1 A 70 70 ALA CB C 70 23.350 18.665 4.685 1
1 701 . 8 1 1 A 70 70 ALA N N 70 118.268 125.046 -6.778 1
1 702 . 8 1 1 A 71 71 VAL H H 71 8.428 8.506 -0.078 1
1 703 . 8 1 1 A 71 71 VAL HA H 71 4.216 3.872 0.344 1
1 711 . 8 1 1 A 71 71 VAL C C 71 175.810 176.223 -0.413 1
1 712 . 8 1 1 A 71 71 VAL CA C 71 62.380 65.130 -2.750 1
1 713 . 8 1 1 A 71 71 VAL CB C 71 33.120 31.717 1.403 1
1 716 . 8 1 1 A 71 71 VAL N N 71 119.624 124.148 -4.524 1
1 717 . 8 1 1 A 72 72 LEU H H 72 8.333 7.613 0.720 1
1 718 . 8 1 1 A 72 72 LEU HA H 72 3.882 3.905 -0.023 1
1 728 . 8 1 1 A 72 72 LEU C C 72 176.580 176.465 0.115 1
1 729 . 8 1 1 A 72 72 LEU CA C 72 54.600 56.179 -1.579 1
1 730 . 8 1 1 A 72 72 LEU CB C 72 37.880 41.937 -4.057 1
1 734 . 8 1 1 A 72 72 LEU N N 72 130.241 122.635 7.606 1
1 735 . 8 1 1 A 73 73 SER H H 73 7.865 7.796 0.069 1
1 736 . 8 1 1 A 73 73 SER HA H 73 4.304 4.619 -0.315 1
1 739 . 8 1 1 A 73 73 SER C C 73 173.470 174.616 -1.146 1
1 740 . 8 1 1 A 73 73 SER CA C 73 59.400 57.487 1.913 1
1 741 . 8 1 1 A 73 73 SER CB C 73 64.230 64.034 0.196 1
1 742 . 8 1 1 A 73 73 SER N N 73 116.577 114.575 2.002 1
1 743 . 8 1 1 A 74 74 ASP H H 74 7.553 8.018 -0.465 1
1 744 . 8 1 1 A 74 74 ASP HA H 74 4.858 4.684 0.174 1
1 747 . 8 1 1 A 74 74 ASP C C 74 175.910 176.709 -0.799 1
1 748 . 8 1 1 A 74 74 ASP CA C 74 53.057 53.115 -0.058 1
1 749 . 8 1 1 A 74 74 ASP CB C 74 41.720 40.031 1.689 1
1 750 . 8 1 1 A 74 74 ASP N N 74 120.482 119.249 1.233 1
1 751 . 8 1 1 A 75 75 ASP H H 75 8.601 8.611 -0.010 1
1 752 . 8 1 1 A 75 75 ASP HA H 75 4.375 4.365 0.010 1
1 755 . 8 1 1 A 75 75 ASP C C 75 176.590 177.010 -0.420 1
1 756 . 8 1 1 A 75 75 ASP CA C 75 56.760 56.114 0.646 1
1 757 . 8 1 1 A 75 75 ASP CB C 75 41.310 39.625 1.685 1
1 758 . 8 1 1 A 75 75 ASP N N 75 125.434 121.450 3.984 1
1 759 . 8 1 1 A 76 76 SER H H 76 8.558 7.911 0.647 1
1 760 . 8 1 1 A 76 76 SER HA H 76 4.463 4.634 -0.171 1
1 763 . 8 1 1 A 76 76 SER C C 76 175.630 173.850 1.780 1
1 764 . 8 1 1 A 76 76 SER CA C 76 59.320 58.380 0.940 1
1 765 . 8 1 1 A 76 76 SER CB C 76 64.255 63.767 0.488 1
1 766 . 8 1 1 A 76 76 SER N N 76 112.502 113.058 -0.556 1
1 767 . 8 1 1 A 77 77 ARG H H 77 7.381 7.508 -0.127 1
1 768 . 8 1 1 A 77 77 ARG HA H 77 4.318 4.708 -0.390 1
1 775 . 8 1 1 A 77 77 ARG CA C 77 53.260 52.819 0.441 1
1 776 . 8 1 1 A 77 77 ARG CB C 77 30.880 31.633 -0.753 1
1 779 . 8 1 1 A 77 77 ARG N N 77 123.368 119.374 3.994 1
1 780 . 8 1 1 A 78 78 PRO HA H 78 4.697 4.621 0.076 1
1 787 . 8 1 1 A 78 78 PRO C C 78 178.090 178.080 0.010 1
1 788 . 8 1 1 A 78 78 PRO CA C 78 61.970 62.963 -0.993 1
1 789 . 8 1 1 A 78 78 PRO CB C 78 31.380 31.972 -0.592 1
1 792 . 8 1 1 A 79 79 LEU H H 79 9.260 8.985 0.275 1
1 793 . 8 1 1 A 79 79 LEU HA H 79 4.099 4.182 -0.083 1
1 803 . 8 1 1 A 79 79 LEU C C 79 178.680 178.910 -0.230 1
1 804 . 8 1 1 A 79 79 LEU CA C 79 58.290 57.728 0.562 1
1 805 . 8 1 1 A 79 79 LEU CB C 79 42.160 41.794 0.366 1
1 809 . 8 1 1 A 79 79 LEU N N 79 124.739 126.146 -1.407 1
1 810 . 8 1 1 A 80 80 GLY H H 80 9.611 8.495 1.116 1
1 811 . 8 1 1 A 80 80 GLY HA2 H 80 4.003 3.934 0.069 1
1 812 . 8 1 1 A 80 80 GLY HA3 H 80 3.683 3.938 -0.255 1
1 813 . 8 1 1 A 80 80 GLY C C 80 175.850 175.515 0.335 1
1 814 . 8 1 1 A 80 80 GLY CA C 80 46.830 46.731 0.099 1
1 815 . 8 1 1 A 80 80 GLY N N 80 102.276 106.830 -4.554 1
1 816 . 8 1 1 A 81 81 PHE H H 81 8.177 8.358 -0.181 1
1 817 . 8 1 1 A 81 81 PHE HA H 81 4.090 4.109 -0.019 1
1 822 . 8 1 1 A 81 81 PHE C C 81 175.810 177.831 -2.021 1
1 823 . 8 1 1 A 81 81 PHE CA C 81 60.560 60.811 -0.251 1
1 824 . 8 1 1 A 81 81 PHE CB C 81 39.640 39.190 0.450 1
1 827 . 8 1 1 A 81 81 PHE N N 81 123.413 122.894 0.519 1
1 828 . 8 1 1 A 82 82 PHE H H 82 7.733 7.884 -0.151 1
1 829 . 8 1 1 A 82 82 PHE HA H 82 4.171 4.214 -0.043 1
1 834 . 8 1 1 A 82 82 PHE C C 82 172.960 175.248 -2.288 1
1 835 . 8 1 1 A 82 82 PHE CA C 82 57.730 60.691 -2.961 1
1 836 . 8 1 1 A 82 82 PHE CB C 82 38.670 39.748 -1.078 1
1 839 . 8 1 1 A 82 82 PHE N N 82 114.781 119.795 -5.014 1
1 840 . 8 1 1 A 83 83 SER H H 83 7.541 7.799 -0.258 1
1 841 . 8 1 1 A 83 83 SER HA H 83 3.898 4.187 -0.289 1
1 844 . 8 1 1 A 83 83 SER CA C 83 57.980 58.586 -0.606 1
1 845 . 8 1 1 A 83 83 SER CB C 83 61.882 61.605 0.277 1
1 846 . 8 1 1 A 83 83 SER N N 83 108.622 113.206 -4.584 1
1 847 . 8 1 1 A 85 85 PHE HA H 85 4.447 4.896 -0.449 1
1 854 . 8 1 1 A 85 85 PHE C C 85 173.640 175.502 -1.862 1
1 855 . 8 1 1 A 85 85 PHE CA C 85 55.600 56.689 -1.089 1
1 856 . 8 1 1 A 85 85 PHE CB C 85 42.180 42.285 -0.105 1
1 861 . 8 1 1 A 86 86 ASP H H 86 8.469 8.606 -0.137 1
1 862 . 8 1 1 A 86 86 ASP HA H 86 4.934 5.188 -0.254 1
1 865 . 8 1 1 A 86 86 ASP C C 86 177.910 177.029 0.881 1
1 866 . 8 1 1 A 86 86 ASP CA C 86 55.927 53.121 2.806 1
1 867 . 8 1 1 A 86 86 ASP CB C 86 41.109 41.239 -0.130 1
1 868 . 8 1 1 A 86 86 ASP N N 86 119.276 118.758 0.518 1
1 869 . 8 1 1 A 87 87 GLY H H 87 9.163 7.842 1.321 1
1 870 . 8 1 1 A 87 87 GLY HA2 H 87 4.570 3.788 0.782 1
1 871 . 8 1 1 A 87 87 GLY HA3 H 87 3.701 3.807 -0.106 1
1 872 . 8 1 1 A 87 87 GLY C C 87 175.180 173.906 1.274 1
1 873 . 8 1 1 A 87 87 GLY CA C 87 45.540 45.101 0.439 1
1 874 . 8 1 1 A 87 87 GLY N N 87 109.579 108.162 1.417 1
1 875 . 8 1 1 A 88 88 PHE H H 88 8.270 7.779 0.491 1
1 876 . 8 1 1 A 88 88 PHE HA H 88 4.653 4.733 -0.080 1
1 883 . 8 1 1 A 88 88 PHE C C 88 172.620 176.357 -3.737 1
1 884 . 8 1 1 A 88 88 PHE CA C 88 57.570 58.297 -0.727 1
1 885 . 8 1 1 A 88 88 PHE CB C 88 38.750 40.575 -1.825 1
1 890 . 8 1 1 A 88 88 PHE N N 88 121.300 120.091 1.209 1
1 891 . 8 1 1 A 89 89 ARG H H 89 9.056 9.230 -0.174 1
1 892 . 8 1 1 A 89 89 ARG HA H 89 5.652 5.054 0.598 1
1 899 . 8 1 1 A 89 89 ARG C C 89 174.990 175.275 -0.285 1
1 900 . 8 1 1 A 89 89 ARG CA C 89 54.067 55.221 -1.154 1
1 901 . 8 1 1 A 89 89 ARG CB C 89 35.630 32.328 3.302 1
1 904 . 8 1 1 A 89 89 ARG N N 89 120.200 121.755 -1.555 1
1 905 . 8 1 1 A 90 90 LEU H H 90 9.487 9.608 -0.121 1
1 906 . 8 1 1 A 90 90 LEU HA H 90 5.244 4.795 0.449 1
1 916 . 8 1 1 A 90 90 LEU C C 90 173.050 175.212 -2.162 1
1 917 . 8 1 1 A 90 90 LEU CA C 90 53.250 54.101 -0.851 1
1 918 . 8 1 1 A 90 90 LEU CB C 90 44.870 41.455 3.415 1
1 922 . 8 1 1 A 90 90 LEU N N 90 128.373 126.560 1.813 1
1 923 . 8 1 1 A 91 91 HIS H H 91 9.474 9.209 0.265 1
1 924 . 8 1 1 A 91 91 HIS HA H 91 5.357 4.905 0.452 1
1 929 . 8 1 1 A 91 91 HIS C C 91 173.870 173.135 0.735 1
1 930 . 8 1 1 A 91 91 HIS CA C 91 54.320 54.306 0.014 1
1 931 . 8 1 1 A 91 91 HIS CB C 91 36.070 30.017 6.053 1
1 934 . 8 1 1 A 91 91 HIS N N 91 125.565 125.264 0.301 1
1 935 . 8 1 1 A 92 92 ILE H H 92 8.341 8.837 -0.496 1
1 936 . 8 1 1 A 92 92 ILE HA H 92 4.045 4.066 -0.021 1
1 946 . 8 1 1 A 92 92 ILE C C 92 173.350 175.333 -1.983 1
1 947 . 8 1 1 A 92 92 ILE CA C 92 61.380 61.074 0.306 1
1 948 . 8 1 1 A 92 92 ILE CB C 92 40.040 37.459 2.581 1
1 952 . 8 1 1 A 92 92 ILE N N 92 126.939 128.705 -1.766 1
1 953 . 8 1 1 A 93 93 ILE H H 93 8.754 8.688 0.066 1
1 954 . 8 1 1 A 93 93 ILE HA H 93 3.744 3.957 -0.213 1
1 964 . 8 1 1 A 93 93 ILE C C 93 174.450 175.051 -0.601 1
1 965 . 8 1 1 A 93 93 ILE CA C 93 60.480 60.963 -0.483 1
1 966 . 8 1 1 A 93 93 ILE CB C 93 41.250 37.266 3.984 1
1 970 . 8 1 1 A 93 93 ILE N N 93 126.486 128.727 -2.241 1
1 971 . 8 1 1 A 94 94 ASP H H 94 7.976 8.648 -0.672 1
1 972 . 8 1 1 A 94 94 ASP HA H 94 4.881 4.719 0.162 1
1 975 . 8 1 1 A 94 94 ASP C C 94 176.710 175.567 1.143 1
1 976 . 8 1 1 A 94 94 ASP CA C 94 52.170 54.104 -1.934 1
1 977 . 8 1 1 A 94 94 ASP CB C 94 42.000 40.095 1.905 1
1 978 . 8 1 1 A 94 94 ASP N N 94 124.752 128.545 -3.793 1
1 979 . 8 1 1 A 95 95 LEU H H 95 9.218 8.444 0.774 1
1 980 . 8 1 1 A 95 95 LEU HA H 95 4.111 4.880 -0.769 1
1 990 . 8 1 1 A 95 95 LEU C C 95 177.230 175.820 1.410 1
1 991 . 8 1 1 A 95 95 LEU CA C 95 55.553 53.713 1.840 1
1 992 . 8 1 1 A 95 95 LEU CB C 95 42.380 42.919 -0.539 1
1 996 . 8 1 1 A 95 95 LEU N N 95 126.286 125.332 0.954 1
1 997 . 8 1 1 A 96 96 ASP H H 96 8.762 8.787 -0.025 1
1 998 . 8 1 1 A 96 96 ASP HA H 96 4.946 5.429 -0.483 1
1 1001 . 8 1 1 A 96 96 ASP CA C 96 52.598 51.511 1.087 1
1 1002 . 8 1 1 A 96 96 ASP CB C 96 41.400 42.389 -0.989 1
1 1 . 9 1 1 A 10 10 HIS HA H 10 4.439 4.733 -0.294 1
1 4 . 9 1 1 A 10 10 HIS CA C 10 55.740 54.842 0.898 1
1 5 . 9 1 1 A 10 10 HIS CB C 10 32.490 31.192 1.298 1
1 6 . 9 1 1 A 11 11 GLY H H 11 8.463 8.231 0.232 1
1 7 . 9 1 1 A 11 11 GLY HA2 H 11 3.930 3.814 0.116 1
1 8 . 9 1 1 A 11 11 GLY HA3 H 11 3.989 3.819 0.170 1
1 9 . 9 1 1 A 11 11 GLY C C 11 173.720 175.241 -1.521 1
1 10 . 9 1 1 A 11 11 GLY CA C 11 45.450 46.397 -0.947 1
1 11 . 9 1 1 A 11 11 GLY N N 11 110.200 108.157 2.043 1
1 12 . 9 1 1 A 12 12 ASP H H 12 8.174 8.011 0.163 1
1 13 . 9 1 1 A 12 12 ASP HA H 12 4.656 4.390 0.266 1
1 16 . 9 1 1 A 12 12 ASP C C 12 174.950 175.586 -0.636 1
1 17 . 9 1 1 A 12 12 ASP CA C 12 54.140 56.049 -1.909 1
1 18 . 9 1 1 A 12 12 ASP CB C 12 41.370 40.388 0.982 1
1 19 . 9 1 1 A 12 12 ASP N N 12 120.300 118.597 1.703 1
1 20 . 9 1 1 A 13 13 ASP H H 13 8.405 7.513 0.892 1
1 21 . 9 1 1 A 13 13 ASP HA H 13 4.630 5.006 -0.376 1
1 24 . 9 1 1 A 13 13 ASP C C 13 176.040 175.162 0.878 1
1 25 . 9 1 1 A 13 13 ASP CA C 13 53.910 53.542 0.368 1
1 26 . 9 1 1 A 13 13 ASP CB C 13 40.840 42.839 -1.999 1
1 27 . 9 1 1 A 13 13 ASP N N 13 121.700 119.838 1.862 1
1 28 . 9 1 1 A 14 14 SER H H 14 8.120 8.472 -0.352 1
1 29 . 9 1 1 A 14 14 SER HA H 14 4.570 4.909 -0.339 1
1 32 . 9 1 1 A 14 14 SER C C 14 173.350 173.143 0.207 1
1 33 . 9 1 1 A 14 14 SER CA C 14 59.250 57.735 1.515 1
1 34 . 9 1 1 A 14 14 SER CB C 14 64.956 67.342 -2.386 1
1 35 . 9 1 1 A 14 14 SER N N 14 114.400 121.210 -6.810 1
1 36 . 9 1 1 A 15 15 VAL H H 15 8.859 8.500 0.359 1
1 37 . 9 1 1 A 15 15 VAL HA H 15 4.754 4.368 0.386 1
1 45 . 9 1 1 A 15 15 VAL C C 15 174.290 175.314 -1.024 1
1 46 . 9 1 1 A 15 15 VAL CA C 15 59.546 61.112 -1.566 1
1 47 . 9 1 1 A 15 15 VAL CB C 15 34.830 33.114 1.716 1
1 50 . 9 1 1 A 15 15 VAL N N 15 118.659 118.907 -0.248 1
1 51 . 9 1 1 A 16 16 HIS H H 16 9.376 8.515 0.861 1
1 52 . 9 1 1 A 16 16 HIS HA H 16 5.030 4.755 0.275 1
1 56 . 9 1 1 A 16 16 HIS C C 16 173.700 174.204 -0.504 1
1 57 . 9 1 1 A 16 16 HIS CA C 16 54.914 55.014 -0.100 1
1 58 . 9 1 1 A 16 16 HIS CB C 16 30.300 28.642 1.658 1
1 60 . 9 1 1 A 16 16 HIS N N 16 126.974 121.860 5.114 1
1 61 . 9 1 1 A 17 17 LEU H H 17 8.888 8.833 0.055 1
1 62 . 9 1 1 A 17 17 LEU HA H 17 5.100 4.655 0.445 1
1 72 . 9 1 1 A 17 17 LEU C C 17 175.750 176.063 -0.313 1
1 73 . 9 1 1 A 17 17 LEU CA C 17 53.160 54.861 -1.701 1
1 74 . 9 1 1 A 17 17 LEU CB C 17 44.890 41.553 3.337 1
1 78 . 9 1 1 A 17 17 LEU N N 17 126.426 125.192 1.234 1
1 79 . 9 1 1 A 18 18 HIS H H 18 8.610 8.700 -0.090 1
1 80 . 9 1 1 A 18 18 HIS HA H 18 5.191 5.060 0.131 1
1 84 . 9 1 1 A 18 18 HIS C C 18 174.120 174.541 -0.421 1
1 85 . 9 1 1 A 18 18 HIS CA C 18 55.120 55.429 -0.309 1
1 86 . 9 1 1 A 18 18 HIS CB C 18 31.000 28.553 2.447 1
1 88 . 9 1 1 A 18 18 HIS N N 18 120.309 124.139 -3.830 1
1 89 . 9 1 1 A 19 19 ILE H H 19 9.050 8.934 0.116 1
1 90 . 9 1 1 A 19 19 ILE HA H 19 5.704 4.292 1.412 1
1 100 . 9 1 1 A 19 19 ILE C C 19 175.890 175.379 0.511 1
1 101 . 9 1 1 A 19 19 ILE CA C 19 60.250 63.074 -2.824 1
1 102 . 9 1 1 A 19 19 ILE CB C 19 40.500 37.440 3.060 1
1 106 . 9 1 1 A 19 19 ILE N N 19 123.672 124.919 -1.247 1
1 107 . 9 1 1 A 20 20 THR H H 20 9.224 9.639 -0.415 1
1 108 . 9 1 1 A 20 20 THR HA H 20 4.970 5.271 -0.301 1
1 110 . 9 1 1 A 20 20 THR C C 20 172.920 174.280 -1.360 1
1 111 . 9 1 1 A 20 20 THR CA C 20 60.960 61.635 -0.675 1
1 112 . 9 1 1 A 20 20 THR CB C 20 71.732 70.999 0.733 1
1 114 . 9 1 1 A 20 20 THR N N 20 117.905 124.323 -6.418 1
1 115 . 9 1 1 A 21 21 HIS H H 21 9.755 8.868 0.887 1
1 116 . 9 1 1 A 21 21 HIS HA H 21 5.053 4.910 0.143 1
1 121 . 9 1 1 A 21 21 HIS C C 21 175.830 175.790 0.040 1
1 122 . 9 1 1 A 21 21 HIS CA C 21 55.561 56.195 -0.634 1
1 123 . 9 1 1 A 21 21 HIS CB C 21 36.450 31.320 5.130 1
1 126 . 9 1 1 A 21 21 HIS N N 21 122.170 125.272 -3.102 1
1 127 . 9 1 1 A 22 22 ALA H H 22 9.098 8.532 0.566 1
1 128 . 9 1 1 A 22 22 ALA HA H 22 4.116 4.255 -0.139 1
1 132 . 9 1 1 A 22 22 ALA C C 22 178.340 178.672 -0.332 1
1 133 . 9 1 1 A 22 22 ALA CA C 22 54.670 53.928 0.742 1
1 134 . 9 1 1 A 22 22 ALA CB C 22 20.870 19.291 1.579 1
1 135 . 9 1 1 A 22 22 ALA N N 22 128.332 125.568 2.764 1
1 136 . 9 1 1 A 23 23 ASN H H 23 10.395 8.411 1.984 1
1 137 . 9 1 1 A 23 23 ASN HA H 23 5.066 4.479 0.587 1
1 142 . 9 1 1 A 23 23 ASN C C 23 175.090 175.653 -0.563 1
1 143 . 9 1 1 A 23 23 ASN CA C 23 53.649 56.117 -2.468 1
1 144 . 9 1 1 A 23 23 ASN CB C 23 41.160 38.822 2.338 1
1 145 . 9 1 1 A 23 23 ASN N N 23 116.400 117.663 -1.263 1
1 147 . 9 1 1 A 24 24 LEU H H 24 7.752 8.027 -0.275 1
1 148 . 9 1 1 A 24 24 LEU HA H 24 4.637 4.625 0.012 1
1 157 . 9 1 1 A 24 24 LEU C C 24 176.810 176.981 -0.171 1
1 158 . 9 1 1 A 24 24 LEU CA C 24 53.380 54.623 -1.243 1
1 159 . 9 1 1 A 24 24 LEU CB C 24 41.630 40.507 1.123 1
1 162 . 9 1 1 A 24 24 LEU N N 24 122.870 118.914 3.956 1
1 163 . 9 1 1 A 25 25 LYS H H 25 8.491 8.447 0.044 1
1 164 . 9 1 1 A 25 25 LYS HA H 25 4.196 4.067 0.129 1
1 171 . 9 1 1 A 25 25 LYS C C 25 177.530 178.545 -1.015 1
1 172 . 9 1 1 A 25 25 LYS CA C 25 59.270 58.659 0.611 1
1 173 . 9 1 1 A 25 25 LYS CB C 25 32.300 32.340 -0.040 1
1 177 . 9 1 1 A 25 25 LYS N N 25 124.310 127.351 -3.041 1
1 178 . 9 1 1 A 26 26 SER H H 26 8.512 8.052 0.460 1
1 179 . 9 1 1 A 26 26 SER HA H 26 4.513 4.420 0.093 1
1 182 . 9 1 1 A 26 26 SER C C 26 174.090 175.078 -0.988 1
1 183 . 9 1 1 A 26 26 SER CA C 26 58.200 60.983 -2.783 1
1 184 . 9 1 1 A 26 26 SER CB C 26 63.487 63.517 -0.030 1
1 185 . 9 1 1 A 26 26 SER N N 26 111.482 113.917 -2.435 1
1 186 . 9 1 1 A 27 27 PHE H H 27 7.723 7.806 -0.083 1
1 187 . 9 1 1 A 27 27 PHE HA H 27 4.463 4.625 -0.162 1
1 194 . 9 1 1 A 27 27 PHE C C 27 175.270 174.556 0.714 1
1 195 . 9 1 1 A 27 27 PHE CA C 27 59.290 57.623 1.667 1
1 196 . 9 1 1 A 27 27 PHE CB C 27 40.440 38.793 1.647 1
1 201 . 9 1 1 A 27 27 PHE N N 27 123.451 124.256 -0.805 1
1 202 . 9 1 1 A 28 28 SER H H 28 7.702 8.773 -1.071 1
1 203 . 9 1 1 A 28 28 SER HA H 28 4.630 5.566 -0.936 1
1 206 . 9 1 1 A 28 28 SER C C 28 172.060 173.045 -0.985 1
1 207 . 9 1 1 A 28 28 SER CA C 28 57.700 57.519 0.181 1
1 208 . 9 1 1 A 28 28 SER CB C 28 64.600 65.523 -0.923 1
1 209 . 9 1 1 A 28 28 SER N N 28 123.039 124.275 -1.236 1
1 210 . 9 1 1 A 29 29 ALA H H 29 8.154 8.941 -0.787 1
1 211 . 9 1 1 A 29 29 ALA HA H 29 4.655 4.960 -0.305 1
1 215 . 9 1 1 A 29 29 ALA C C 29 174.090 175.388 -1.298 1
1 216 . 9 1 1 A 29 29 ALA CA C 29 51.300 50.074 1.226 1
1 217 . 9 1 1 A 29 29 ALA CB C 29 22.900 20.854 2.046 1
1 218 . 9 1 1 A 29 29 ALA N N 29 124.700 128.731 -4.031 1
1 219 . 9 1 1 A 30 30 ASP H H 30 8.395 9.062 -0.667 1
1 220 . 9 1 1 A 30 30 ASP HA H 30 5.532 4.739 0.793 1
1 223 . 9 1 1 A 30 30 ASP C C 30 174.320 174.674 -0.354 1
1 224 . 9 1 1 A 30 30 ASP CA C 30 53.870 53.237 0.633 1
1 225 . 9 1 1 A 30 30 ASP CB C 30 44.420 40.941 3.479 1
1 226 . 9 1 1 A 30 30 ASP N N 30 117.900 125.667 -7.767 1
1 227 . 9 1 1 A 31 31 ALA H H 31 8.866 9.137 -0.271 1
1 228 . 9 1 1 A 31 31 ALA HA H 31 4.554 5.097 -0.543 1
1 232 . 9 1 1 A 31 31 ALA C C 31 174.240 176.037 -1.797 1
1 233 . 9 1 1 A 31 31 ALA CA C 31 51.710 49.982 1.728 1
1 234 . 9 1 1 A 31 31 ALA CB C 31 22.710 21.157 1.553 1
1 235 . 9 1 1 A 31 31 ALA N N 31 121.463 129.188 -7.725 1
1 236 . 9 1 1 A 32 32 ARG H H 32 8.056 8.189 -0.133 1
1 237 . 9 1 1 A 32 32 ARG HA H 32 5.232 4.867 0.365 1
1 244 . 9 1 1 A 32 32 ARG C C 32 175.610 175.122 0.488 1
1 245 . 9 1 1 A 32 32 ARG CA C 32 54.780 55.356 -0.576 1
1 246 . 9 1 1 A 32 32 ARG CB C 32 31.840 30.489 1.351 1
1 249 . 9 1 1 A 32 32 ARG N N 32 119.065 122.740 -3.675 1
1 250 . 9 1 1 A 33 33 PHE H H 33 8.787 8.696 0.091 1
1 251 . 9 1 1 A 33 33 PHE HA H 33 4.900 4.803 0.097 1
1 258 . 9 1 1 A 33 33 PHE C C 33 175.050 175.156 -0.106 1
1 259 . 9 1 1 A 33 33 PHE CA C 33 55.790 56.895 -1.105 1
1 260 . 9 1 1 A 33 33 PHE CB C 33 43.300 42.532 0.768 1
1 265 . 9 1 1 A 33 33 PHE N N 33 119.356 122.035 -2.679 1
1 266 . 9 1 1 A 34 34 SER H H 34 8.361 8.915 -0.554 1
1 267 . 9 1 1 A 34 34 SER HA H 34 4.910 4.562 0.348 1
1 268 . 9 1 1 A 34 34 SER CA C 34 55.270 57.580 -2.310 1
1 269 . 9 1 1 A 34 34 SER CB C 34 64.310 62.676 1.634 1
1 270 . 9 1 1 A 34 34 SER N N 34 118.000 120.625 -2.625 1
1 271 . 9 1 1 A 35 35 PRO HA H 35 4.183 4.580 -0.397 1
1 278 . 9 1 1 A 35 35 PRO C C 35 176.460 177.933 -1.473 1
1 279 . 9 1 1 A 35 35 PRO CA C 35 64.120 64.351 -0.231 1
1 280 . 9 1 1 A 35 35 PRO CB C 35 32.140 31.706 0.434 1
1 283 . 9 1 1 A 36 36 GLN H H 36 8.013 8.575 -0.562 1
1 284 . 9 1 1 A 36 36 GLN HA H 36 4.278 4.209 0.069 1
1 291 . 9 1 1 A 36 36 GLN C C 36 176.630 175.564 1.066 1
1 292 . 9 1 1 A 36 36 GLN CA C 36 56.600 57.427 -0.827 1
1 293 . 9 1 1 A 36 36 GLN CB C 36 29.380 28.918 0.462 1
1 295 . 9 1 1 A 36 36 GLN N N 36 114.700 117.430 -2.730 1
1 297 . 9 1 1 A 37 37 MET H H 37 7.628 7.715 -0.087 1
1 298 . 9 1 1 A 37 37 MET HA H 37 4.314 4.551 -0.237 1
1 303 . 9 1 1 A 37 37 MET C C 37 174.480 175.537 -1.057 1
1 304 . 9 1 1 A 37 37 MET CA C 37 56.260 54.613 1.647 1
1 305 . 9 1 1 A 37 37 MET CB C 37 34.890 33.695 1.195 1
1 307 . 9 1 1 A 37 37 MET N N 37 120.895 121.513 -0.618 1
1 308 . 9 1 1 A 38 38 SER H H 38 8.740 8.549 0.191 1
1 309 . 9 1 1 A 38 38 SER HA H 38 4.650 4.949 -0.299 1
1 312 . 9 1 1 A 38 38 SER C C 38 175.320 176.205 -0.885 1
1 313 . 9 1 1 A 38 38 SER CA C 38 57.555 56.222 1.333 1
1 314 . 9 1 1 A 38 38 SER CB C 38 64.800 66.298 -1.498 1
1 315 . 9 1 1 A 38 38 SER N N 38 119.800 116.645 3.155 1
1 316 . 9 1 1 A 39 39 VAL H H 39 8.619 8.798 -0.179 1
1 317 . 9 1 1 A 39 39 VAL HA H 39 3.405 3.609 -0.204 1
1 325 . 9 1 1 A 39 39 VAL C C 39 177.950 177.689 0.261 1
1 326 . 9 1 1 A 39 39 VAL CA C 39 68.010 66.235 1.775 1
1 327 . 9 1 1 A 39 39 VAL CB C 39 31.830 31.381 0.449 1
1 330 . 9 1 1 A 39 39 VAL N N 39 122.324 121.368 0.956 1
1 331 . 9 1 1 A 40 40 GLU H H 40 8.737 8.798 -0.061 1
1 332 . 9 1 1 A 40 40 GLU HA H 40 3.743 3.866 -0.123 1
1 337 . 9 1 1 A 40 40 GLU C C 40 177.450 178.778 -1.328 1
1 338 . 9 1 1 A 40 40 GLU CA C 40 60.570 59.418 1.152 1
1 339 . 9 1 1 A 40 40 GLU CB C 40 30.000 30.133 -0.133 1
1 341 . 9 1 1 A 40 40 GLU N N 40 120.358 120.242 0.116 1
1 342 . 9 1 1 A 41 41 ALA H H 41 8.056 7.194 0.862 1
1 343 . 9 1 1 A 41 41 ALA HA H 41 4.275 4.026 0.249 1
1 347 . 9 1 1 A 41 41 ALA C C 41 181.560 180.251 1.309 1
1 348 . 9 1 1 A 41 41 ALA CA C 41 55.080 55.087 -0.007 1
1 349 . 9 1 1 A 41 41 ALA CB C 41 18.570 18.489 0.081 1
1 350 . 9 1 1 A 41 41 ALA N N 41 123.045 121.853 1.192 1
1 351 . 9 1 1 A 42 42 VAL H H 42 8.519 7.350 1.169 1
1 352 . 9 1 1 A 42 42 VAL HA H 42 3.456 3.458 -0.002 1
1 360 . 9 1 1 A 42 42 VAL C C 42 177.950 177.864 0.086 1
1 361 . 9 1 1 A 42 42 VAL CA C 42 67.440 66.600 0.840 1
1 362 . 9 1 1 A 42 42 VAL CB C 42 31.370 31.508 -0.138 1
1 365 . 9 1 1 A 42 42 VAL N N 42 122.576 117.871 4.705 1
1 366 . 9 1 1 A 43 43 LYS H H 43 8.660 8.141 0.519 1
1 367 . 9 1 1 A 43 43 LYS HA H 43 3.905 3.955 -0.050 1
1 374 . 9 1 1 A 43 43 LYS C C 43 178.490 178.994 -0.504 1
1 375 . 9 1 1 A 43 43 LYS CA C 43 61.080 59.950 1.130 1
1 376 . 9 1 1 A 43 43 LYS CB C 43 33.450 31.997 1.453 1
1 380 . 9 1 1 A 43 43 LYS N N 43 118.752 119.159 -0.407 1
1 381 . 9 1 1 A 44 44 GLU H H 44 8.109 7.996 0.113 1
1 382 . 9 1 1 A 44 44 GLU HA H 44 4.100 4.180 -0.080 1
1 387 . 9 1 1 A 44 44 GLU C C 44 178.760 179.495 -0.735 1
1 388 . 9 1 1 A 44 44 GLU CA C 44 60.560 59.861 0.699 1
1 389 . 9 1 1 A 44 44 GLU CB C 44 29.700 29.221 0.479 1
1 391 . 9 1 1 A 44 44 GLU N N 44 118.904 119.455 -0.551 1
1 392 . 9 1 1 A 45 45 LYS H H 45 7.868 7.527 0.341 1
1 393 . 9 1 1 A 45 45 LYS HA H 45 4.147 4.052 0.095 1
1 400 . 9 1 1 A 45 45 LYS C C 45 180.020 179.456 0.564 1
1 401 . 9 1 1 A 45 45 LYS CA C 45 59.210 59.723 -0.513 1
1 402 . 9 1 1 A 45 45 LYS CB C 45 32.540 32.445 0.095 1
1 406 . 9 1 1 A 45 45 LYS N N 45 118.353 119.026 -0.673 1
1 407 . 9 1 1 A 46 46 LEU H H 46 8.538 7.710 0.828 1
1 408 . 9 1 1 A 46 46 LEU HA H 46 4.147 4.185 -0.038 1
1 418 . 9 1 1 A 46 46 LEU C C 46 179.950 179.258 0.692 1
1 419 . 9 1 1 A 46 46 LEU CA C 46 57.900 57.638 0.262 1
1 420 . 9 1 1 A 46 46 LEU CB C 46 40.800 41.947 -1.147 1
1 424 . 9 1 1 A 46 46 LEU N N 46 118.568 118.939 -0.371 1
1 425 . 9 1 1 A 47 47 TRP H H 47 9.308 8.580 0.728 1
1 426 . 9 1 1 A 47 47 TRP HA H 47 4.636 4.189 0.447 1
1 435 . 9 1 1 A 47 47 TRP C C 47 179.040 178.479 0.561 1
1 436 . 9 1 1 A 47 47 TRP CA C 47 60.312 60.529 -0.217 1
1 437 . 9 1 1 A 47 47 TRP CB C 47 28.080 30.105 -2.025 1
1 443 . 9 1 1 A 47 47 TRP N N 47 127.808 120.778 7.030 1
1 445 . 9 1 1 A 48 48 LYS H H 48 7.362 8.419 -1.057 1
1 446 . 9 1 1 A 48 48 LYS HA H 48 3.238 3.476 -0.238 1
1 453 . 9 1 1 A 48 48 LYS C C 48 177.660 178.773 -1.113 1
1 454 . 9 1 1 A 48 48 LYS CA C 48 58.360 57.931 0.429 1
1 455 . 9 1 1 A 48 48 LYS CB C 48 32.090 31.267 0.823 1
1 459 . 9 1 1 A 48 48 LYS N N 48 118.583 118.242 0.341 1
1 460 . 9 1 1 A 49 49 LYS H H 49 7.339 7.750 -0.411 1
1 461 . 9 1 1 A 49 49 LYS HA H 49 4.388 4.056 0.332 1
1 468 . 9 1 1 A 49 49 LYS C C 49 177.120 178.140 -1.020 1
1 469 . 9 1 1 A 49 49 LYS CA C 49 57.469 58.671 -1.202 1
1 470 . 9 1 1 A 49 49 LYS CB C 49 33.990 32.322 1.668 1
1 474 . 9 1 1 A 49 49 LYS N N 49 114.530 119.803 -5.273 1
1 475 . 9 1 1 A 50 50 CYS H H 50 8.092 7.674 0.418 1
1 476 . 9 1 1 A 50 50 CYS HA H 50 4.880 4.408 0.472 1
1 479 . 9 1 1 A 50 50 CYS C C 50 174.560 175.691 -1.131 1
1 480 . 9 1 1 A 50 50 CYS CA C 50 57.213 59.466 -2.253 1
1 481 . 9 1 1 A 50 50 CYS CB C 50 31.470 28.398 3.072 1
1 482 . 9 1 1 A 50 50 CYS N N 50 110.536 114.965 -4.429 1
1 483 . 9 1 1 A 51 51 GLY H H 51 8.644 8.268 0.376 1
1 484 . 9 1 1 A 51 51 GLY HA2 H 51 4.248 3.638 0.610 1
1 485 . 9 1 1 A 51 51 GLY HA3 H 51 3.650 3.785 -0.135 1
1 486 . 9 1 1 A 51 51 GLY C C 51 173.800 174.401 -0.601 1
1 487 . 9 1 1 A 51 51 GLY CA C 51 46.390 45.946 0.444 1
1 488 . 9 1 1 A 51 51 GLY N N 51 113.666 108.525 5.141 1
1 489 . 9 1 1 A 52 52 THR H H 52 7.781 7.811 -0.030 1
1 490 . 9 1 1 A 52 52 THR HA H 52 4.277 4.530 -0.253 1
1 495 . 9 1 1 A 52 52 THR C C 52 172.080 173.800 -1.720 1
1 496 . 9 1 1 A 52 52 THR CA C 52 63.630 61.746 1.884 1
1 497 . 9 1 1 A 52 52 THR CB C 52 69.720 70.484 -0.764 1
1 499 . 9 1 1 A 52 52 THR N N 52 121.643 116.243 5.400 1
1 500 . 9 1 1 A 53 53 SER H H 53 8.606 8.564 0.042 1
1 501 . 9 1 1 A 53 53 SER HA H 53 3.775 4.572 -0.797 1
1 504 . 9 1 1 A 53 53 SER C C 53 175.890 174.943 0.947 1
1 505 . 9 1 1 A 53 53 SER CA C 53 58.590 59.831 -1.241 1
1 506 . 9 1 1 A 53 53 SER CB C 53 63.620 63.640 -0.020 1
1 507 . 9 1 1 A 53 53 SER N N 53 120.903 119.163 1.740 1
1 508 . 9 1 1 A 54 54 VAL H H 54 7.895 8.573 -0.678 1
1 509 . 9 1 1 A 54 54 VAL HA H 54 3.563 4.009 -0.446 1
1 517 . 9 1 1 A 54 54 VAL C C 54 178.260 176.808 1.452 1
1 518 . 9 1 1 A 54 54 VAL CA C 54 66.600 64.658 1.942 1
1 519 . 9 1 1 A 54 54 VAL CB C 54 31.630 31.795 -0.165 1
1 522 . 9 1 1 A 54 54 VAL N N 54 121.121 126.671 -5.550 1
1 523 . 9 1 1 A 55 55 ASN H H 55 8.148 8.116 0.032 1
1 524 . 9 1 1 A 55 55 ASN HA H 55 4.496 4.471 0.025 1
1 529 . 9 1 1 A 55 55 ASN C C 55 175.640 177.877 -2.237 1
1 530 . 9 1 1 A 55 55 ASN CA C 55 54.875 55.691 -0.816 1
1 531 . 9 1 1 A 55 55 ASN CB C 55 38.120 38.241 -0.121 1
1 532 . 9 1 1 A 55 55 ASN N N 55 115.018 120.177 -5.159 1
1 534 . 9 1 1 A 56 56 SER H H 56 7.559 7.682 -0.123 1
1 535 . 9 1 1 A 56 56 SER HA H 56 4.585 4.310 0.275 1
1 538 . 9 1 1 A 56 56 SER C C 56 171.180 175.079 -3.899 1
1 539 . 9 1 1 A 56 56 SER CA C 56 57.260 60.864 -3.604 1
1 540 . 9 1 1 A 56 56 SER CB C 56 64.260 63.458 0.802 1
1 541 . 9 1 1 A 56 56 SER N N 56 114.545 115.018 -0.473 1
1 542 . 9 1 1 A 57 57 MET H H 57 7.177 7.269 -0.092 1
1 543 . 9 1 1 A 57 57 MET HA H 57 4.785 4.530 0.255 1
1 548 . 9 1 1 A 57 57 MET C C 57 175.400 174.472 0.928 1
1 549 . 9 1 1 A 57 57 MET CA C 57 55.631 54.606 1.025 1
1 550 . 9 1 1 A 57 57 MET CB C 57 36.740 31.869 4.871 1
1 552 . 9 1 1 A 57 57 MET N N 57 120.883 119.883 1.000 1
1 553 . 9 1 1 A 58 58 ALA H H 58 9.226 8.223 1.003 1
1 554 . 9 1 1 A 58 58 ALA HA H 58 4.723 4.947 -0.224 1
1 558 . 9 1 1 A 58 58 ALA C C 58 175.360 176.017 -0.657 1
1 559 . 9 1 1 A 58 58 ALA CA C 58 50.327 50.878 -0.551 1
1 560 . 9 1 1 A 58 58 ALA CB C 58 21.580 20.836 0.744 1
1 561 . 9 1 1 A 58 58 ALA N N 58 129.559 128.868 0.691 1
1 562 . 9 1 1 A 59 59 LEU H H 59 8.307 8.839 -0.532 1
1 563 . 9 1 1 A 59 59 LEU HA H 59 5.393 4.953 0.440 1
1 573 . 9 1 1 A 59 59 LEU C C 59 175.470 174.453 1.017 1
1 574 . 9 1 1 A 59 59 LEU CA C 59 52.970 53.505 -0.535 1
1 575 . 9 1 1 A 59 59 LEU CB C 59 47.410 45.824 1.586 1
1 579 . 9 1 1 A 59 59 LEU N N 59 118.793 123.678 -4.885 1
1 580 . 9 1 1 A 60 60 GLU H H 60 8.978 9.058 -0.080 1
1 581 . 9 1 1 A 60 60 GLU HA H 60 4.789 4.462 0.327 1
1 586 . 9 1 1 A 60 60 GLU C C 60 173.670 174.811 -1.141 1
1 587 . 9 1 1 A 60 60 GLU CA C 60 54.246 55.439 -1.193 1
1 588 . 9 1 1 A 60 60 GLU CB C 60 35.470 29.752 5.718 1
1 590 . 9 1 1 A 60 60 GLU N N 60 121.100 126.252 -5.152 1
1 591 . 9 1 1 A 61 61 LEU H H 61 8.651 8.686 -0.035 1
1 592 . 9 1 1 A 61 61 LEU HA H 61 5.541 4.486 1.055 1
1 602 . 9 1 1 A 61 61 LEU C C 61 174.270 174.263 0.007 1
1 603 . 9 1 1 A 61 61 LEU CA C 61 53.120 54.180 -1.060 1
1 604 . 9 1 1 A 61 61 LEU CB C 61 46.890 41.421 5.469 1
1 608 . 9 1 1 A 61 61 LEU N N 61 122.689 128.561 -5.872 1
1 609 . 9 1 1 A 62 62 TYR H H 62 10.028 8.712 1.316 1
1 610 . 9 1 1 A 62 62 TYR HA H 62 5.096 5.071 0.025 1
1 617 . 9 1 1 A 62 62 TYR C C 62 175.180 175.510 -0.330 1
1 618 . 9 1 1 A 62 62 TYR CA C 62 56.520 57.821 -1.301 1
1 619 . 9 1 1 A 62 62 TYR CB C 62 42.520 40.125 2.395 1
1 624 . 9 1 1 A 62 62 TYR N N 62 126.875 126.813 0.062 1
1 625 . 9 1 1 A 63 63 ASP H H 63 8.573 8.799 -0.226 1
1 626 . 9 1 1 A 63 63 ASP HA H 63 2.824 5.000 -2.176 1
1 629 . 9 1 1 A 63 63 ASP C C 63 176.470 175.515 0.955 1
1 630 . 9 1 1 A 63 63 ASP CA C 63 51.490 54.538 -3.048 1
1 631 . 9 1 1 A 63 63 ASP CB C 63 41.490 42.471 -0.981 1
1 632 . 9 1 1 A 63 63 ASP N N 63 118.563 125.198 -6.635 1
1 633 . 9 1 1 A 64 64 ASP H H 64 8.319 8.768 -0.449 1
1 634 . 9 1 1 A 64 64 ASP HA H 64 4.396 4.620 -0.224 1
1 637 . 9 1 1 A 64 64 ASP C C 64 176.670 176.100 0.570 1
1 638 . 9 1 1 A 64 64 ASP CA C 64 55.270 53.356 1.914 1
1 639 . 9 1 1 A 64 64 ASP CB C 64 39.540 39.330 0.210 1
1 640 . 9 1 1 A 64 64 ASP N N 64 114.728 125.115 -10.387 1
1 641 . 9 1 1 A 65 65 SER H H 65 8.305 9.223 -0.918 1
1 642 . 9 1 1 A 65 65 SER HA H 65 4.640 4.774 -0.134 1
1 645 . 9 1 1 A 65 65 SER C C 65 174.700 174.637 0.063 1
1 646 . 9 1 1 A 65 65 SER CA C 65 58.550 58.934 -0.384 1
1 647 . 9 1 1 A 65 65 SER CB C 65 64.393 65.830 -1.437 1
1 648 . 9 1 1 A 65 65 SER N N 65 115.837 119.220 -3.383 1
1 649 . 9 1 1 A 66 66 GLY H H 66 7.876 7.128 0.748 1
1 650 . 9 1 1 A 66 66 GLY HA2 H 66 4.284 3.819 0.465 1
1 651 . 9 1 1 A 66 66 GLY HA3 H 66 3.679 3.930 -0.251 1
1 652 . 9 1 1 A 66 66 GLY C C 66 174.550 174.182 0.368 1
1 653 . 9 1 1 A 66 66 GLY CA C 66 45.570 45.314 0.256 1
1 654 . 9 1 1 A 66 66 GLY N N 66 109.151 108.058 1.093 1
1 655 . 9 1 1 A 67 67 SER H H 67 8.416 7.796 0.620 1
1 656 . 9 1 1 A 67 67 SER HA H 67 4.583 4.861 -0.278 1
1 659 . 9 1 1 A 67 67 SER C C 67 173.680 174.592 -0.912 1
1 660 . 9 1 1 A 67 67 SER CA C 67 58.070 56.941 1.129 1
1 661 . 9 1 1 A 67 67 SER CB C 67 63.300 65.665 -2.365 1
1 662 . 9 1 1 A 67 67 SER N N 67 119.156 117.692 1.464 1
1 663 . 9 1 1 A 68 68 LYS H H 68 8.880 8.594 0.286 1
1 664 . 9 1 1 A 68 68 LYS HA H 68 3.233 4.633 -1.400 1
1 671 . 9 1 1 A 68 68 LYS C C 68 176.440 177.066 -0.626 1
1 672 . 9 1 1 A 68 68 LYS CA C 68 57.920 56.304 1.616 1
1 673 . 9 1 1 A 68 68 LYS CB C 68 31.822 33.187 -1.365 1
1 677 . 9 1 1 A 68 68 LYS N N 68 128.005 120.308 7.697 1
1 678 . 9 1 1 A 69 69 VAL H H 69 9.215 8.314 0.901 1
1 679 . 9 1 1 A 69 69 VAL HA H 69 4.185 4.238 -0.053 1
1 687 . 9 1 1 A 69 69 VAL C C 69 176.170 175.304 0.866 1
1 688 . 9 1 1 A 69 69 VAL CA C 69 62.860 62.380 0.480 1
1 689 . 9 1 1 A 69 69 VAL CB C 69 33.660 31.930 1.730 1
1 692 . 9 1 1 A 69 69 VAL N N 69 126.574 118.657 7.917 1
1 693 . 9 1 1 A 70 70 ALA H H 70 7.647 7.349 0.298 1
1 694 . 9 1 1 A 70 70 ALA HA H 70 4.614 4.656 -0.042 1
1 698 . 9 1 1 A 70 70 ALA C C 70 175.170 177.474 -2.304 1
1 699 . 9 1 1 A 70 70 ALA CA C 70 52.400 50.911 1.489 1
1 700 . 9 1 1 A 70 70 ALA CB C 70 23.350 22.532 0.818 1
1 701 . 9 1 1 A 70 70 ALA N N 70 118.268 122.415 -4.147 1
1 702 . 9 1 1 A 71 71 VAL H H 71 8.428 8.787 -0.359 1
1 703 . 9 1 1 A 71 71 VAL HA H 71 4.216 3.820 0.396 1
1 711 . 9 1 1 A 71 71 VAL C C 71 175.810 175.718 0.092 1
1 712 . 9 1 1 A 71 71 VAL CA C 71 62.380 64.744 -2.364 1
1 713 . 9 1 1 A 71 71 VAL CB C 71 33.120 32.748 0.372 1
1 716 . 9 1 1 A 71 71 VAL N N 71 119.624 121.889 -2.265 1
1 717 . 9 1 1 A 72 72 LEU H H 72 8.333 7.940 0.393 1
1 718 . 9 1 1 A 72 72 LEU HA H 72 3.882 3.788 0.094 1
1 728 . 9 1 1 A 72 72 LEU C C 72 176.580 176.972 -0.392 1
1 729 . 9 1 1 A 72 72 LEU CA C 72 54.600 56.138 -1.538 1
1 730 . 9 1 1 A 72 72 LEU CB C 72 37.880 41.857 -3.977 1
1 734 . 9 1 1 A 72 72 LEU N N 72 130.241 122.663 7.578 1
1 735 . 9 1 1 A 73 73 SER H H 73 7.865 7.850 0.015 1
1 736 . 9 1 1 A 73 73 SER HA H 73 4.304 4.499 -0.195 1
1 739 . 9 1 1 A 73 73 SER C C 73 173.470 174.123 -0.653 1
1 740 . 9 1 1 A 73 73 SER CA C 73 59.400 59.084 0.316 1
1 741 . 9 1 1 A 73 73 SER CB C 73 64.230 63.405 0.825 1
1 742 . 9 1 1 A 73 73 SER N N 73 116.577 114.203 2.374 1
1 743 . 9 1 1 A 74 74 ASP H H 74 7.553 7.873 -0.320 1
1 744 . 9 1 1 A 74 74 ASP HA H 74 4.858 4.905 -0.047 1
1 747 . 9 1 1 A 74 74 ASP C C 74 175.910 176.154 -0.244 1
1 748 . 9 1 1 A 74 74 ASP CA C 74 53.057 53.549 -0.492 1
1 749 . 9 1 1 A 74 74 ASP CB C 74 41.720 41.276 0.444 1
1 750 . 9 1 1 A 74 74 ASP N N 74 120.482 119.896 0.586 1
1 751 . 9 1 1 A 75 75 ASP H H 75 8.601 8.418 0.183 1
1 752 . 9 1 1 A 75 75 ASP HA H 75 4.375 4.294 0.081 1
1 755 . 9 1 1 A 75 75 ASP C C 75 176.590 177.019 -0.429 1
1 756 . 9 1 1 A 75 75 ASP CA C 75 56.760 55.476 1.284 1
1 757 . 9 1 1 A 75 75 ASP CB C 75 41.310 38.809 2.501 1
1 758 . 9 1 1 A 75 75 ASP N N 75 125.434 120.093 5.341 1
1 759 . 9 1 1 A 76 76 SER H H 76 8.558 7.750 0.808 1
1 760 . 9 1 1 A 76 76 SER HA H 76 4.463 4.452 0.011 1
1 763 . 9 1 1 A 76 76 SER C C 76 175.630 174.304 1.326 1
1 764 . 9 1 1 A 76 76 SER CA C 76 59.320 58.417 0.903 1
1 765 . 9 1 1 A 76 76 SER CB C 76 64.255 63.440 0.815 1
1 766 . 9 1 1 A 76 76 SER N N 76 112.502 114.021 -1.519 1
1 767 . 9 1 1 A 77 77 ARG H H 77 7.381 7.426 -0.045 1
1 768 . 9 1 1 A 77 77 ARG HA H 77 4.318 4.554 -0.236 1
1 775 . 9 1 1 A 77 77 ARG CA C 77 53.260 53.412 -0.152 1
1 776 . 9 1 1 A 77 77 ARG CB C 77 30.880 30.008 0.872 1
1 779 . 9 1 1 A 77 77 ARG N N 77 123.368 121.750 1.618 1
1 780 . 9 1 1 A 78 78 PRO HA H 78 4.697 4.642 0.055 1
1 787 . 9 1 1 A 78 78 PRO C C 78 178.090 178.144 -0.054 1
1 788 . 9 1 1 A 78 78 PRO CA C 78 61.970 62.999 -1.029 1
1 789 . 9 1 1 A 78 78 PRO CB C 78 31.380 32.108 -0.728 1
1 792 . 9 1 1 A 79 79 LEU H H 79 9.260 8.318 0.942 1
1 793 . 9 1 1 A 79 79 LEU HA H 79 4.099 4.130 -0.031 1
1 803 . 9 1 1 A 79 79 LEU C C 79 178.680 179.430 -0.750 1
1 804 . 9 1 1 A 79 79 LEU CA C 79 58.290 57.749 0.541 1
1 805 . 9 1 1 A 79 79 LEU CB C 79 42.160 41.514 0.646 1
1 809 . 9 1 1 A 79 79 LEU N N 79 124.739 123.450 1.289 1
1 810 . 9 1 1 A 80 80 GLY H H 80 9.611 8.829 0.782 1
1 811 . 9 1 1 A 80 80 GLY HA2 H 80 4.003 4.049 -0.046 1
1 812 . 9 1 1 A 80 80 GLY HA3 H 80 3.683 4.056 -0.373 1
1 813 . 9 1 1 A 80 80 GLY C C 80 175.850 175.038 0.812 1
1 814 . 9 1 1 A 80 80 GLY CA C 80 46.830 46.296 0.534 1
1 815 . 9 1 1 A 80 80 GLY N N 80 102.276 106.699 -4.423 1
1 816 . 9 1 1 A 81 81 PHE H H 81 8.177 8.187 -0.010 1
1 817 . 9 1 1 A 81 81 PHE HA H 81 4.090 4.462 -0.372 1
1 822 . 9 1 1 A 81 81 PHE C C 81 175.810 177.654 -1.844 1
1 823 . 9 1 1 A 81 81 PHE CA C 81 60.560 59.538 1.022 1
1 824 . 9 1 1 A 81 81 PHE CB C 81 39.640 39.618 0.022 1
1 827 . 9 1 1 A 81 81 PHE N N 81 123.413 121.790 1.623 1
1 828 . 9 1 1 A 82 82 PHE H H 82 7.733 8.076 -0.343 1
1 829 . 9 1 1 A 82 82 PHE HA H 82 4.171 4.450 -0.279 1
1 834 . 9 1 1 A 82 82 PHE C C 82 172.960 175.326 -2.366 1
1 835 . 9 1 1 A 82 82 PHE CA C 82 57.730 59.719 -1.989 1
1 836 . 9 1 1 A 82 82 PHE CB C 82 38.670 41.011 -2.341 1
1 839 . 9 1 1 A 82 82 PHE N N 82 114.781 120.080 -5.299 1
1 840 . 9 1 1 A 83 83 SER H H 83 7.541 8.064 -0.523 1
1 841 . 9 1 1 A 83 83 SER HA H 83 3.898 4.810 -0.912 1
1 844 . 9 1 1 A 83 83 SER CA C 83 57.980 55.976 2.004 1
1 845 . 9 1 1 A 83 83 SER CB C 83 61.882 65.302 -3.420 1
1 846 . 9 1 1 A 83 83 SER N N 83 108.622 109.469 -0.847 1
1 847 . 9 1 1 A 85 85 PHE HA H 85 4.447 4.027 0.420 1
1 854 . 9 1 1 A 85 85 PHE C C 85 173.640 175.686 -2.046 1
1 855 . 9 1 1 A 85 85 PHE CA C 85 55.600 61.414 -5.814 1
1 856 . 9 1 1 A 85 85 PHE CB C 85 42.180 39.640 2.540 1
1 861 . 9 1 1 A 86 86 ASP H H 86 8.469 7.413 1.056 1
1 862 . 9 1 1 A 86 86 ASP HA H 86 4.934 4.770 0.164 1
1 865 . 9 1 1 A 86 86 ASP C C 86 177.910 175.260 2.650 1
1 866 . 9 1 1 A 86 86 ASP CA C 86 55.927 55.444 0.483 1
1 867 . 9 1 1 A 86 86 ASP CB C 86 41.109 42.662 -1.553 1
1 868 . 9 1 1 A 86 86 ASP N N 86 119.276 117.203 2.073 1
1 869 . 9 1 1 A 87 87 GLY H H 87 9.163 7.338 1.825 1
1 870 . 9 1 1 A 87 87 GLY HA2 H 87 4.570 4.109 0.461 1
1 871 . 9 1 1 A 87 87 GLY HA3 H 87 3.701 4.135 -0.434 1
1 872 . 9 1 1 A 87 87 GLY C C 87 175.180 172.405 2.775 1
1 873 . 9 1 1 A 87 87 GLY CA C 87 45.540 45.833 -0.293 1
1 874 . 9 1 1 A 87 87 GLY N N 87 109.579 105.639 3.940 1
1 875 . 9 1 1 A 88 88 PHE H H 88 8.270 8.800 -0.530 1
1 876 . 9 1 1 A 88 88 PHE HA H 88 4.653 4.769 -0.116 1
1 883 . 9 1 1 A 88 88 PHE C C 88 172.620 175.912 -3.292 1
1 884 . 9 1 1 A 88 88 PHE CA C 88 57.570 58.447 -0.877 1
1 885 . 9 1 1 A 88 88 PHE CB C 88 38.750 39.566 -0.816 1
1 890 . 9 1 1 A 88 88 PHE N N 88 121.300 125.655 -4.355 1
1 891 . 9 1 1 A 89 89 ARG H H 89 9.056 9.040 0.016 1
1 892 . 9 1 1 A 89 89 ARG HA H 89 5.652 5.064 0.588 1
1 899 . 9 1 1 A 89 89 ARG C C 89 174.990 175.378 -0.388 1
1 900 . 9 1 1 A 89 89 ARG CA C 89 54.067 56.269 -2.202 1
1 901 . 9 1 1 A 89 89 ARG CB C 89 35.630 30.731 4.899 1
1 904 . 9 1 1 A 89 89 ARG N N 89 120.200 122.434 -2.234 1
1 905 . 9 1 1 A 90 90 LEU H H 90 9.487 8.920 0.567 1
1 906 . 9 1 1 A 90 90 LEU HA H 90 5.244 4.626 0.618 1
1 916 . 9 1 1 A 90 90 LEU C C 90 173.050 175.537 -2.487 1
1 917 . 9 1 1 A 90 90 LEU CA C 90 53.250 54.702 -1.452 1
1 918 . 9 1 1 A 90 90 LEU CB C 90 44.870 40.886 3.984 1
1 922 . 9 1 1 A 90 90 LEU N N 90 128.373 127.145 1.228 1
1 923 . 9 1 1 A 91 91 HIS H H 91 9.474 8.967 0.507 1
1 924 . 9 1 1 A 91 91 HIS HA H 91 5.357 5.510 -0.153 1
1 929 . 9 1 1 A 91 91 HIS C C 91 173.870 173.275 0.595 1
1 930 . 9 1 1 A 91 91 HIS CA C 91 54.320 54.411 -0.091 1
1 931 . 9 1 1 A 91 91 HIS CB C 91 36.070 29.828 6.242 1
1 934 . 9 1 1 A 91 91 HIS N N 91 125.565 125.366 0.199 1
1 935 . 9 1 1 A 92 92 ILE H H 92 8.341 8.699 -0.358 1
1 936 . 9 1 1 A 92 92 ILE HA H 92 4.045 4.219 -0.174 1
1 946 . 9 1 1 A 92 92 ILE C C 92 173.350 175.544 -2.194 1
1 947 . 9 1 1 A 92 92 ILE CA C 92 61.380 61.987 -0.607 1
1 948 . 9 1 1 A 92 92 ILE CB C 92 40.040 38.105 1.935 1
1 952 . 9 1 1 A 92 92 ILE N N 92 126.939 128.847 -1.908 1
1 953 . 9 1 1 A 93 93 ILE H H 93 8.754 9.243 -0.489 1
1 954 . 9 1 1 A 93 93 ILE HA H 93 3.744 4.079 -0.335 1
1 964 . 9 1 1 A 93 93 ILE C C 93 174.450 174.876 -0.426 1
1 965 . 9 1 1 A 93 93 ILE CA C 93 60.480 60.914 -0.434 1
1 966 . 9 1 1 A 93 93 ILE CB C 93 41.250 37.249 4.001 1
1 970 . 9 1 1 A 93 93 ILE N N 93 126.486 129.188 -2.702 1
1 971 . 9 1 1 A 94 94 ASP H H 94 7.976 8.905 -0.929 1
1 972 . 9 1 1 A 94 94 ASP HA H 94 4.881 4.660 0.221 1
1 975 . 9 1 1 A 94 94 ASP C C 94 176.710 175.917 0.793 1
1 976 . 9 1 1 A 94 94 ASP CA C 94 52.170 53.310 -1.140 1
1 977 . 9 1 1 A 94 94 ASP CB C 94 42.000 38.536 3.464 1
1 978 . 9 1 1 A 94 94 ASP N N 94 124.752 130.207 -5.455 1
1 979 . 9 1 1 A 95 95 LEU H H 95 9.218 8.308 0.910 1
1 980 . 9 1 1 A 95 95 LEU HA H 95 4.111 4.103 0.008 1
1 990 . 9 1 1 A 95 95 LEU C C 95 177.230 176.883 0.347 1
1 991 . 9 1 1 A 95 95 LEU CA C 95 55.553 57.529 -1.976 1
1 992 . 9 1 1 A 95 95 LEU CB C 95 42.380 42.082 0.298 1
1 996 . 9 1 1 A 95 95 LEU N N 95 126.286 123.561 2.725 1
1 997 . 9 1 1 A 96 96 ASP H H 96 8.762 7.983 0.779 1
1 998 . 9 1 1 A 96 96 ASP HA H 96 4.946 4.873 0.073 1
1 1001 . 9 1 1 A 96 96 ASP CA C 96 52.598 51.548 1.050 1
1 1002 . 9 1 1 A 96 96 ASP CB C 96 41.400 41.848 -0.448 1
1 1 . 10 1 1 A 10 10 HIS HA H 10 4.439 4.802 -0.363 1
1 4 . 10 1 1 A 10 10 HIS CA C 10 55.740 55.313 0.427 1
1 5 . 10 1 1 A 10 10 HIS CB C 10 32.490 28.683 3.807 1
1 6 . 10 1 1 A 11 11 GLY H H 11 8.463 8.335 0.128 1
1 7 . 10 1 1 A 11 11 GLY HA2 H 11 3.930 3.902 0.028 1
1 8 . 10 1 1 A 11 11 GLY HA3 H 11 3.989 3.904 0.085 1
1 9 . 10 1 1 A 11 11 GLY C C 11 173.720 174.519 -0.799 1
1 10 . 10 1 1 A 11 11 GLY CA C 11 45.450 46.011 -0.561 1
1 11 . 10 1 1 A 11 11 GLY N N 11 110.200 111.683 -1.483 1
1 12 . 10 1 1 A 12 12 ASP H H 12 8.174 9.206 -1.032 1
1 13 . 10 1 1 A 12 12 ASP HA H 12 4.656 4.789 -0.133 1
1 16 . 10 1 1 A 12 12 ASP C C 12 174.950 175.934 -0.984 1
1 17 . 10 1 1 A 12 12 ASP CA C 12 54.140 55.512 -1.372 1
1 18 . 10 1 1 A 12 12 ASP CB C 12 41.370 42.697 -1.327 1
1 19 . 10 1 1 A 12 12 ASP N N 12 120.300 126.685 -6.385 1
1 20 . 10 1 1 A 13 13 ASP H H 13 8.405 8.010 0.395 1
1 21 . 10 1 1 A 13 13 ASP HA H 13 4.630 4.964 -0.334 1
1 24 . 10 1 1 A 13 13 ASP C C 13 176.040 174.434 1.606 1
1 25 . 10 1 1 A 13 13 ASP CA C 13 53.910 53.649 0.261 1
1 26 . 10 1 1 A 13 13 ASP CB C 13 40.840 41.623 -0.783 1
1 27 . 10 1 1 A 13 13 ASP N N 13 121.700 116.463 5.237 1
1 28 . 10 1 1 A 14 14 SER H H 14 8.120 8.852 -0.732 1
1 29 . 10 1 1 A 14 14 SER HA H 14 4.570 5.065 -0.495 1
1 32 . 10 1 1 A 14 14 SER C C 14 173.350 172.790 0.560 1
1 33 . 10 1 1 A 14 14 SER CA C 14 59.250 57.580 1.670 1
1 34 . 10 1 1 A 14 14 SER CB C 14 64.956 66.144 -1.188 1
1 35 . 10 1 1 A 14 14 SER N N 14 114.400 117.519 -3.119 1
1 36 . 10 1 1 A 15 15 VAL H H 15 8.859 8.408 0.451 1
1 37 . 10 1 1 A 15 15 VAL HA H 15 4.754 4.975 -0.221 1
1 45 . 10 1 1 A 15 15 VAL C C 15 174.290 174.493 -0.203 1
1 46 . 10 1 1 A 15 15 VAL CA C 15 59.546 59.443 0.103 1
1 47 . 10 1 1 A 15 15 VAL CB C 15 34.830 34.876 -0.046 1
1 50 . 10 1 1 A 15 15 VAL N N 15 118.659 118.834 -0.175 1
1 51 . 10 1 1 A 16 16 HIS H H 16 9.376 8.988 0.388 1
1 52 . 10 1 1 A 16 16 HIS HA H 16 5.030 4.866 0.164 1
1 56 . 10 1 1 A 16 16 HIS C C 16 173.700 174.387 -0.687 1
1 57 . 10 1 1 A 16 16 HIS CA C 16 54.914 55.457 -0.543 1
1 58 . 10 1 1 A 16 16 HIS CB C 16 30.300 29.586 0.714 1
1 60 . 10 1 1 A 16 16 HIS N N 16 126.974 123.753 3.221 1
1 61 . 10 1 1 A 17 17 LEU H H 17 8.888 9.013 -0.125 1
1 62 . 10 1 1 A 17 17 LEU HA H 17 5.100 4.951 0.149 1
1 72 . 10 1 1 A 17 17 LEU C C 17 175.750 176.018 -0.268 1
1 73 . 10 1 1 A 17 17 LEU CA C 17 53.160 53.949 -0.789 1
1 74 . 10 1 1 A 17 17 LEU CB C 17 44.890 41.424 3.466 1
1 78 . 10 1 1 A 17 17 LEU N N 17 126.426 125.862 0.564 1
1 79 . 10 1 1 A 18 18 HIS H H 18 8.610 8.698 -0.088 1
1 80 . 10 1 1 A 18 18 HIS HA H 18 5.191 4.897 0.294 1
1 84 . 10 1 1 A 18 18 HIS C C 18 174.120 174.612 -0.492 1
1 85 . 10 1 1 A 18 18 HIS CA C 18 55.120 55.957 -0.837 1
1 86 . 10 1 1 A 18 18 HIS CB C 18 31.000 29.118 1.882 1
1 88 . 10 1 1 A 18 18 HIS N N 18 120.309 124.509 -4.200 1
1 89 . 10 1 1 A 19 19 ILE H H 19 9.050 9.087 -0.037 1
1 90 . 10 1 1 A 19 19 ILE HA H 19 5.704 4.645 1.059 1
1 100 . 10 1 1 A 19 19 ILE C C 19 175.890 175.489 0.401 1
1 101 . 10 1 1 A 19 19 ILE CA C 19 60.250 61.316 -1.066 1
1 102 . 10 1 1 A 19 19 ILE CB C 19 40.500 38.791 1.709 1
1 106 . 10 1 1 A 19 19 ILE N N 19 123.672 125.434 -1.762 1
1 107 . 10 1 1 A 20 20 THR H H 20 9.224 9.200 0.024 1
1 108 . 10 1 1 A 20 20 THR HA H 20 4.970 4.996 -0.026 1
1 110 . 10 1 1 A 20 20 THR C C 20 172.920 172.621 0.299 1
1 111 . 10 1 1 A 20 20 THR CA C 20 60.960 61.519 -0.559 1
1 112 . 10 1 1 A 20 20 THR CB C 20 71.732 72.650 -0.918 1
1 114 . 10 1 1 A 20 20 THR N N 20 117.905 122.637 -4.732 1
1 115 . 10 1 1 A 21 21 HIS H H 21 9.755 8.995 0.760 1
1 116 . 10 1 1 A 21 21 HIS HA H 21 5.053 4.565 0.488 1
1 121 . 10 1 1 A 21 21 HIS C C 21 175.830 176.228 -0.398 1
1 122 . 10 1 1 A 21 21 HIS CA C 21 55.561 55.327 0.234 1
1 123 . 10 1 1 A 21 21 HIS CB C 21 36.450 31.027 5.423 1
1 126 . 10 1 1 A 21 21 HIS N N 21 122.170 125.621 -3.451 1
1 127 . 10 1 1 A 22 22 ALA H H 22 9.098 8.292 0.806 1
1 128 . 10 1 1 A 22 22 ALA HA H 22 4.116 3.682 0.434 1
1 132 . 10 1 1 A 22 22 ALA C C 22 178.340 179.557 -1.217 1
1 133 . 10 1 1 A 22 22 ALA CA C 22 54.670 55.087 -0.417 1
1 134 . 10 1 1 A 22 22 ALA CB C 22 20.870 17.988 2.882 1
1 135 . 10 1 1 A 22 22 ALA N N 22 128.332 127.982 0.350 1
1 136 . 10 1 1 A 23 23 ASN H H 23 10.395 7.770 2.625 1
1 137 . 10 1 1 A 23 23 ASN HA H 23 5.066 4.479 0.587 1
1 142 . 10 1 1 A 23 23 ASN C C 23 175.090 175.376 -0.286 1
1 143 . 10 1 1 A 23 23 ASN CA C 23 53.649 55.050 -1.401 1
1 144 . 10 1 1 A 23 23 ASN CB C 23 41.160 38.220 2.940 1
1 145 . 10 1 1 A 23 23 ASN N N 23 116.400 116.476 -0.076 1
1 147 . 10 1 1 A 24 24 LEU H H 24 7.752 7.720 0.032 1
1 148 . 10 1 1 A 24 24 LEU HA H 24 4.637 4.710 -0.073 1
1 157 . 10 1 1 A 24 24 LEU C C 24 176.810 176.680 0.130 1
1 158 . 10 1 1 A 24 24 LEU CA C 24 53.380 53.755 -0.375 1
1 159 . 10 1 1 A 24 24 LEU CB C 24 41.630 43.225 -1.595 1
1 162 . 10 1 1 A 24 24 LEU N N 24 122.870 120.381 2.489 1
1 163 . 10 1 1 A 25 25 LYS H H 25 8.491 8.770 -0.279 1
1 164 . 10 1 1 A 25 25 LYS HA H 25 4.196 4.150 0.046 1
1 171 . 10 1 1 A 25 25 LYS C C 25 177.530 177.507 0.023 1
1 172 . 10 1 1 A 25 25 LYS CA C 25 59.270 59.161 0.109 1
1 173 . 10 1 1 A 25 25 LYS CB C 25 32.300 32.616 -0.316 1
1 177 . 10 1 1 A 25 25 LYS N N 25 124.310 127.855 -3.545 1
1 178 . 10 1 1 A 26 26 SER H H 26 8.512 7.897 0.615 1
1 179 . 10 1 1 A 26 26 SER HA H 26 4.513 4.600 -0.087 1
1 182 . 10 1 1 A 26 26 SER C C 26 174.090 173.848 0.242 1
1 183 . 10 1 1 A 26 26 SER CA C 26 58.200 57.340 0.860 1
1 184 . 10 1 1 A 26 26 SER CB C 26 63.487 62.740 0.747 1
1 185 . 10 1 1 A 26 26 SER N N 26 111.482 114.551 -3.069 1
1 186 . 10 1 1 A 27 27 PHE H H 27 7.723 8.461 -0.738 1
1 187 . 10 1 1 A 27 27 PHE HA H 27 4.463 5.184 -0.721 1
1 194 . 10 1 1 A 27 27 PHE C C 27 175.270 173.862 1.408 1
1 195 . 10 1 1 A 27 27 PHE CA C 27 59.290 56.206 3.084 1
1 196 . 10 1 1 A 27 27 PHE CB C 27 40.440 40.849 -0.409 1
1 201 . 10 1 1 A 27 27 PHE N N 27 123.451 130.479 -7.028 1
1 202 . 10 1 1 A 28 28 SER H H 28 7.702 8.926 -1.224 1
1 203 . 10 1 1 A 28 28 SER HA H 28 4.630 4.890 -0.260 1
1 206 . 10 1 1 A 28 28 SER C C 28 172.060 173.884 -1.824 1
1 207 . 10 1 1 A 28 28 SER CA C 28 57.700 57.773 -0.073 1
1 208 . 10 1 1 A 28 28 SER CB C 28 64.600 62.062 2.538 1
1 209 . 10 1 1 A 28 28 SER N N 28 123.039 124.003 -0.964 1
1 210 . 10 1 1 A 29 29 ALA H H 29 8.154 8.037 0.117 1
1 211 . 10 1 1 A 29 29 ALA HA H 29 4.655 4.446 0.209 1
1 215 . 10 1 1 A 29 29 ALA C C 29 174.090 176.405 -2.315 1
1 216 . 10 1 1 A 29 29 ALA CA C 29 51.300 51.002 0.298 1
1 217 . 10 1 1 A 29 29 ALA CB C 29 22.900 19.274 3.626 1
1 218 . 10 1 1 A 29 29 ALA N N 29 124.700 126.791 -2.091 1
1 219 . 10 1 1 A 30 30 ASP H H 30 8.395 7.637 0.758 1
1 220 . 10 1 1 A 30 30 ASP HA H 30 5.532 4.767 0.765 1
1 223 . 10 1 1 A 30 30 ASP C C 30 174.320 175.621 -1.301 1
1 224 . 10 1 1 A 30 30 ASP CA C 30 53.870 53.464 0.406 1
1 225 . 10 1 1 A 30 30 ASP CB C 30 44.420 42.226 2.194 1
1 226 . 10 1 1 A 30 30 ASP N N 30 117.900 117.970 -0.070 1
1 227 . 10 1 1 A 31 31 ALA H H 31 8.866 8.542 0.324 1
1 228 . 10 1 1 A 31 31 ALA HA H 31 4.554 5.081 -0.527 1
1 232 . 10 1 1 A 31 31 ALA C C 31 174.240 175.022 -0.782 1
1 233 . 10 1 1 A 31 31 ALA CA C 31 51.710 50.329 1.381 1
1 234 . 10 1 1 A 31 31 ALA CB C 31 22.710 23.509 -0.799 1
1 235 . 10 1 1 A 31 31 ALA N N 31 121.463 122.787 -1.324 1
1 236 . 10 1 1 A 32 32 ARG H H 32 8.056 8.157 -0.101 1
1 237 . 10 1 1 A 32 32 ARG HA H 32 5.232 4.971 0.261 1
1 244 . 10 1 1 A 32 32 ARG C C 32 175.610 175.464 0.146 1
1 245 . 10 1 1 A 32 32 ARG CA C 32 54.780 55.339 -0.559 1
1 246 . 10 1 1 A 32 32 ARG CB C 32 31.840 30.339 1.501 1
1 249 . 10 1 1 A 32 32 ARG N N 32 119.065 119.131 -0.066 1
1 250 . 10 1 1 A 33 33 PHE H H 33 8.787 8.920 -0.133 1
1 251 . 10 1 1 A 33 33 PHE HA H 33 4.900 4.893 0.007 1
1 258 . 10 1 1 A 33 33 PHE C C 33 175.050 175.967 -0.917 1
1 259 . 10 1 1 A 33 33 PHE CA C 33 55.790 57.618 -1.828 1
1 260 . 10 1 1 A 33 33 PHE CB C 33 43.300 41.446 1.854 1
1 265 . 10 1 1 A 33 33 PHE N N 33 119.356 123.730 -4.374 1
1 266 . 10 1 1 A 34 34 SER H H 34 8.361 9.073 -0.712 1
1 267 . 10 1 1 A 34 34 SER HA H 34 4.910 4.645 0.265 1
1 268 . 10 1 1 A 34 34 SER CA C 34 55.270 56.565 -1.295 1
1 269 . 10 1 1 A 34 34 SER CB C 34 64.310 63.164 1.146 1
1 270 . 10 1 1 A 34 34 SER N N 34 118.000 117.861 0.139 1
1 271 . 10 1 1 A 35 35 PRO HA H 35 4.183 4.430 -0.247 1
1 278 . 10 1 1 A 35 35 PRO C C 35 176.460 177.974 -1.514 1
1 279 . 10 1 1 A 35 35 PRO CA C 35 64.120 64.577 -0.457 1
1 280 . 10 1 1 A 35 35 PRO CB C 35 32.140 31.908 0.232 1
1 283 . 10 1 1 A 36 36 GLN H H 36 8.013 8.794 -0.781 1
1 284 . 10 1 1 A 36 36 GLN HA H 36 4.278 4.227 0.051 1
1 291 . 10 1 1 A 36 36 GLN C C 36 176.630 175.564 1.066 1
1 292 . 10 1 1 A 36 36 GLN CA C 36 56.600 57.485 -0.885 1
1 293 . 10 1 1 A 36 36 GLN CB C 36 29.380 28.340 1.040 1
1 295 . 10 1 1 A 36 36 GLN N N 36 114.700 117.427 -2.727 1
1 297 . 10 1 1 A 37 37 MET H H 37 7.628 7.443 0.185 1
1 298 . 10 1 1 A 37 37 MET HA H 37 4.314 4.851 -0.537 1
1 303 . 10 1 1 A 37 37 MET C C 37 174.480 175.537 -1.057 1
1 304 . 10 1 1 A 37 37 MET CA C 37 56.260 54.393 1.867 1
1 305 . 10 1 1 A 37 37 MET CB C 37 34.890 35.102 -0.212 1
1 307 . 10 1 1 A 37 37 MET N N 37 120.895 121.652 -0.757 1
1 308 . 10 1 1 A 38 38 SER H H 38 8.740 8.943 -0.203 1
1 309 . 10 1 1 A 38 38 SER HA H 38 4.650 4.942 -0.292 1
1 312 . 10 1 1 A 38 38 SER C C 38 175.320 176.116 -0.796 1
1 313 . 10 1 1 A 38 38 SER CA C 38 57.555 57.302 0.253 1
1 314 . 10 1 1 A 38 38 SER CB C 38 64.800 65.087 -0.287 1
1 315 . 10 1 1 A 38 38 SER N N 38 119.800 117.548 2.252 1
1 316 . 10 1 1 A 39 39 VAL H H 39 8.619 8.350 0.269 1
1 317 . 10 1 1 A 39 39 VAL HA H 39 3.405 3.571 -0.166 1
1 325 . 10 1 1 A 39 39 VAL C C 39 177.950 177.882 0.068 1
1 326 . 10 1 1 A 39 39 VAL CA C 39 68.010 66.179 1.831 1
1 327 . 10 1 1 A 39 39 VAL CB C 39 31.830 31.401 0.429 1
1 330 . 10 1 1 A 39 39 VAL N N 39 122.324 121.969 0.355 1
1 331 . 10 1 1 A 40 40 GLU H H 40 8.737 8.343 0.394 1
1 332 . 10 1 1 A 40 40 GLU HA H 40 3.743 3.913 -0.170 1
1 337 . 10 1 1 A 40 40 GLU C C 40 177.450 178.304 -0.854 1
1 338 . 10 1 1 A 40 40 GLU CA C 40 60.570 59.447 1.123 1
1 339 . 10 1 1 A 40 40 GLU CB C 40 30.000 29.311 0.689 1
1 341 . 10 1 1 A 40 40 GLU N N 40 120.358 120.631 -0.273 1
1 342 . 10 1 1 A 41 41 ALA H H 41 8.056 7.424 0.632 1
1 343 . 10 1 1 A 41 41 ALA HA H 41 4.275 4.051 0.224 1
1 347 . 10 1 1 A 41 41 ALA C C 41 181.560 179.649 1.911 1
1 348 . 10 1 1 A 41 41 ALA CA C 41 55.080 55.129 -0.049 1
1 349 . 10 1 1 A 41 41 ALA CB C 41 18.570 18.407 0.163 1
1 350 . 10 1 1 A 41 41 ALA N N 41 123.045 121.566 1.479 1
1 351 . 10 1 1 A 42 42 VAL H H 42 8.519 7.653 0.866 1
1 352 . 10 1 1 A 42 42 VAL HA H 42 3.456 3.876 -0.420 1
1 360 . 10 1 1 A 42 42 VAL C C 42 177.950 177.751 0.199 1
1 361 . 10 1 1 A 42 42 VAL CA C 42 67.440 64.673 2.767 1
1 362 . 10 1 1 A 42 42 VAL CB C 42 31.370 31.424 -0.054 1
1 365 . 10 1 1 A 42 42 VAL N N 42 122.576 117.380 5.196 1
1 366 . 10 1 1 A 43 43 LYS H H 43 8.660 7.786 0.874 1
1 367 . 10 1 1 A 43 43 LYS HA H 43 3.905 3.890 0.015 1
1 374 . 10 1 1 A 43 43 LYS C C 43 178.490 178.875 -0.385 1
1 375 . 10 1 1 A 43 43 LYS CA C 43 61.080 60.337 0.743 1
1 376 . 10 1 1 A 43 43 LYS CB C 43 33.450 32.430 1.020 1
1 380 . 10 1 1 A 43 43 LYS N N 43 118.752 122.482 -3.730 1
1 381 . 10 1 1 A 44 44 GLU H H 44 8.109 8.051 0.058 1
1 382 . 10 1 1 A 44 44 GLU HA H 44 4.100 4.038 0.062 1
1 387 . 10 1 1 A 44 44 GLU C C 44 178.760 179.194 -0.434 1
1 388 . 10 1 1 A 44 44 GLU CA C 44 60.560 59.823 0.737 1
1 389 . 10 1 1 A 44 44 GLU CB C 44 29.700 29.358 0.342 1
1 391 . 10 1 1 A 44 44 GLU N N 44 118.904 120.113 -1.209 1
1 392 . 10 1 1 A 45 45 LYS H H 45 7.868 7.930 -0.062 1
1 393 . 10 1 1 A 45 45 LYS HA H 45 4.147 4.222 -0.075 1
1 400 . 10 1 1 A 45 45 LYS C C 45 180.020 179.170 0.850 1
1 401 . 10 1 1 A 45 45 LYS CA C 45 59.210 58.966 0.244 1
1 402 . 10 1 1 A 45 45 LYS CB C 45 32.540 32.147 0.393 1
1 406 . 10 1 1 A 45 45 LYS N N 45 118.353 119.952 -1.599 1
1 407 . 10 1 1 A 46 46 LEU H H 46 8.538 8.095 0.443 1
1 408 . 10 1 1 A 46 46 LEU HA H 46 4.147 4.166 -0.019 1
1 418 . 10 1 1 A 46 46 LEU C C 46 179.950 179.228 0.722 1
1 419 . 10 1 1 A 46 46 LEU CA C 46 57.900 57.642 0.258 1
1 420 . 10 1 1 A 46 46 LEU CB C 46 40.800 42.036 -1.236 1
1 424 . 10 1 1 A 46 46 LEU N N 46 118.568 118.859 -0.291 1
1 425 . 10 1 1 A 47 47 TRP H H 47 9.308 8.665 0.643 1
1 426 . 10 1 1 A 47 47 TRP HA H 47 4.636 4.137 0.499 1
1 435 . 10 1 1 A 47 47 TRP C C 47 179.040 178.105 0.935 1
1 436 . 10 1 1 A 47 47 TRP CA C 47 60.312 60.460 -0.148 1
1 437 . 10 1 1 A 47 47 TRP CB C 47 28.080 29.881 -1.801 1
1 443 . 10 1 1 A 47 47 TRP N N 47 127.808 120.369 7.439 1
1 445 . 10 1 1 A 48 48 LYS H H 48 7.362 8.704 -1.342 1
1 446 . 10 1 1 A 48 48 LYS HA H 48 3.238 3.687 -0.449 1
1 453 . 10 1 1 A 48 48 LYS C C 48 177.660 178.350 -0.690 1
1 454 . 10 1 1 A 48 48 LYS CA C 48 58.360 59.025 -0.665 1
1 455 . 10 1 1 A 48 48 LYS CB C 48 32.090 31.965 0.125 1
1 459 . 10 1 1 A 48 48 LYS N N 48 118.583 117.947 0.636 1
1 460 . 10 1 1 A 49 49 LYS H H 49 7.339 7.774 -0.435 1
1 461 . 10 1 1 A 49 49 LYS HA H 49 4.388 4.093 0.295 1
1 468 . 10 1 1 A 49 49 LYS C C 49 177.120 178.290 -1.170 1
1 469 . 10 1 1 A 49 49 LYS CA C 49 57.469 58.786 -1.317 1
1 470 . 10 1 1 A 49 49 LYS CB C 49 33.990 32.846 1.144 1
1 474 . 10 1 1 A 49 49 LYS N N 49 114.530 119.758 -5.228 1
1 475 . 10 1 1 A 50 50 CYS H H 50 8.092 7.592 0.500 1
1 476 . 10 1 1 A 50 50 CYS HA H 50 4.880 4.414 0.466 1
1 479 . 10 1 1 A 50 50 CYS C C 50 174.560 175.357 -0.797 1
1 480 . 10 1 1 A 50 50 CYS CA C 50 57.213 59.341 -2.128 1
1 481 . 10 1 1 A 50 50 CYS CB C 50 31.470 28.561 2.909 1
1 482 . 10 1 1 A 50 50 CYS N N 50 110.536 115.150 -4.614 1
1 483 . 10 1 1 A 51 51 GLY H H 51 8.644 8.065 0.579 1
1 484 . 10 1 1 A 51 51 GLY HA2 H 51 4.248 3.271 0.977 1
1 485 . 10 1 1 A 51 51 GLY HA3 H 51 3.650 3.672 -0.022 1
1 486 . 10 1 1 A 51 51 GLY C C 51 173.800 174.586 -0.786 1
1 487 . 10 1 1 A 51 51 GLY CA C 51 46.390 45.555 0.835 1
1 488 . 10 1 1 A 51 51 GLY N N 51 113.666 109.431 4.235 1
1 489 . 10 1 1 A 52 52 THR H H 52 7.781 7.894 -0.113 1
1 490 . 10 1 1 A 52 52 THR HA H 52 4.277 4.283 -0.006 1
1 495 . 10 1 1 A 52 52 THR C C 52 172.080 173.811 -1.731 1
1 496 . 10 1 1 A 52 52 THR CA C 52 63.630 62.828 0.802 1
1 497 . 10 1 1 A 52 52 THR CB C 52 69.720 69.137 0.583 1
1 499 . 10 1 1 A 52 52 THR N N 52 121.643 117.744 3.899 1
1 500 . 10 1 1 A 53 53 SER H H 53 8.606 8.633 -0.027 1
1 501 . 10 1 1 A 53 53 SER HA H 53 3.775 4.550 -0.775 1
1 504 . 10 1 1 A 53 53 SER C C 53 175.890 176.245 -0.355 1
1 505 . 10 1 1 A 53 53 SER CA C 53 58.590 60.072 -1.482 1
1 506 . 10 1 1 A 53 53 SER CB C 53 63.620 63.601 0.019 1
1 507 . 10 1 1 A 53 53 SER N N 53 120.903 121.893 -0.990 1
1 508 . 10 1 1 A 54 54 VAL H H 54 7.895 8.805 -0.910 1
1 509 . 10 1 1 A 54 54 VAL HA H 54 3.563 3.899 -0.336 1
1 517 . 10 1 1 A 54 54 VAL C C 54 178.260 177.534 0.726 1
1 518 . 10 1 1 A 54 54 VAL CA C 54 66.600 64.799 1.801 1
1 519 . 10 1 1 A 54 54 VAL CB C 54 31.630 31.409 0.221 1
1 522 . 10 1 1 A 54 54 VAL N N 54 121.121 123.937 -2.816 1
1 523 . 10 1 1 A 55 55 ASN H H 55 8.148 8.080 0.068 1
1 524 . 10 1 1 A 55 55 ASN HA H 55 4.496 4.481 0.015 1
1 529 . 10 1 1 A 55 55 ASN C C 55 175.640 177.691 -2.051 1
1 530 . 10 1 1 A 55 55 ASN CA C 55 54.875 55.640 -0.765 1
1 531 . 10 1 1 A 55 55 ASN CB C 55 38.120 38.343 -0.223 1
1 532 . 10 1 1 A 55 55 ASN N N 55 115.018 120.290 -5.272 1
1 534 . 10 1 1 A 56 56 SER H H 56 7.559 7.804 -0.245 1
1 535 . 10 1 1 A 56 56 SER HA H 56 4.585 4.305 0.280 1
1 538 . 10 1 1 A 56 56 SER C C 56 171.180 175.494 -4.314 1
1 539 . 10 1 1 A 56 56 SER CA C 56 57.260 60.919 -3.659 1
1 540 . 10 1 1 A 56 56 SER CB C 56 64.260 63.474 0.786 1
1 541 . 10 1 1 A 56 56 SER N N 56 114.545 114.884 -0.339 1
1 542 . 10 1 1 A 57 57 MET H H 57 7.177 7.463 -0.286 1
1 543 . 10 1 1 A 57 57 MET HA H 57 4.785 4.506 0.279 1
1 548 . 10 1 1 A 57 57 MET C C 57 175.400 174.427 0.973 1
1 549 . 10 1 1 A 57 57 MET CA C 57 55.631 54.717 0.914 1
1 550 . 10 1 1 A 57 57 MET CB C 57 36.740 31.199 5.541 1
1 552 . 10 1 1 A 57 57 MET N N 57 120.883 119.659 1.224 1
1 553 . 10 1 1 A 58 58 ALA H H 58 9.226 8.039 1.187 1
1 554 . 10 1 1 A 58 58 ALA HA H 58 4.723 4.729 -0.006 1
1 558 . 10 1 1 A 58 58 ALA C C 58 175.360 176.513 -1.153 1
1 559 . 10 1 1 A 58 58 ALA CA C 58 50.327 51.363 -1.036 1
1 560 . 10 1 1 A 58 58 ALA CB C 58 21.580 19.982 1.598 1
1 561 . 10 1 1 A 58 58 ALA N N 58 129.559 126.464 3.095 1
1 562 . 10 1 1 A 59 59 LEU H H 59 8.307 9.128 -0.821 1
1 563 . 10 1 1 A 59 59 LEU HA H 59 5.393 4.691 0.702 1
1 573 . 10 1 1 A 59 59 LEU C C 59 175.470 175.811 -0.341 1
1 574 . 10 1 1 A 59 59 LEU CA C 59 52.970 53.675 -0.705 1
1 575 . 10 1 1 A 59 59 LEU CB C 59 47.410 41.946 5.464 1
1 579 . 10 1 1 A 59 59 LEU N N 59 118.793 125.360 -6.567 1
1 580 . 10 1 1 A 60 60 GLU H H 60 8.978 8.498 0.480 1
1 581 . 10 1 1 A 60 60 GLU HA H 60 4.789 4.626 0.163 1
1 586 . 10 1 1 A 60 60 GLU C C 60 173.670 175.625 -1.955 1
1 587 . 10 1 1 A 60 60 GLU CA C 60 54.246 56.370 -2.124 1
1 588 . 10 1 1 A 60 60 GLU CB C 60 35.470 30.187 5.283 1
1 590 . 10 1 1 A 60 60 GLU N N 60 121.100 124.536 -3.436 1
1 591 . 10 1 1 A 61 61 LEU H H 61 8.651 8.734 -0.083 1
1 592 . 10 1 1 A 61 61 LEU HA H 61 5.541 4.830 0.711 1
1 602 . 10 1 1 A 61 61 LEU C C 61 174.270 174.308 -0.038 1
1 603 . 10 1 1 A 61 61 LEU CA C 61 53.120 54.268 -1.148 1
1 604 . 10 1 1 A 61 61 LEU CB C 61 46.890 42.861 4.029 1
1 608 . 10 1 1 A 61 61 LEU N N 61 122.689 128.647 -5.958 1
1 609 . 10 1 1 A 62 62 TYR H H 62 10.028 9.086 0.942 1
1 610 . 10 1 1 A 62 62 TYR HA H 62 5.096 5.357 -0.261 1
1 617 . 10 1 1 A 62 62 TYR C C 62 175.180 175.889 -0.709 1
1 618 . 10 1 1 A 62 62 TYR CA C 62 56.520 57.826 -1.306 1
1 619 . 10 1 1 A 62 62 TYR CB C 62 42.520 39.750 2.770 1
1 624 . 10 1 1 A 62 62 TYR N N 62 126.875 127.407 -0.532 1
1 625 . 10 1 1 A 63 63 ASP H H 63 8.573 8.881 -0.308 1
1 626 . 10 1 1 A 63 63 ASP HA H 63 2.824 4.989 -2.165 1
1 629 . 10 1 1 A 63 63 ASP C C 63 176.470 175.187 1.283 1
1 630 . 10 1 1 A 63 63 ASP CA C 63 51.490 53.506 -2.016 1
1 631 . 10 1 1 A 63 63 ASP CB C 63 41.490 42.133 -0.643 1
1 632 . 10 1 1 A 63 63 ASP N N 63 118.563 124.918 -6.355 1
1 633 . 10 1 1 A 64 64 ASP H H 64 8.319 8.291 0.028 1
1 634 . 10 1 1 A 64 64 ASP HA H 64 4.396 4.702 -0.306 1
1 637 . 10 1 1 A 64 64 ASP C C 64 176.670 175.604 1.066 1
1 638 . 10 1 1 A 64 64 ASP CA C 64 55.270 52.982 2.288 1
1 639 . 10 1 1 A 64 64 ASP CB C 64 39.540 39.378 0.162 1
1 640 . 10 1 1 A 64 64 ASP N N 64 114.728 123.062 -8.334 1
1 641 . 10 1 1 A 65 65 SER H H 65 8.305 8.198 0.107 1
1 642 . 10 1 1 A 65 65 SER HA H 65 4.640 4.671 -0.031 1
1 645 . 10 1 1 A 65 65 SER C C 65 174.700 175.376 -0.676 1
1 646 . 10 1 1 A 65 65 SER CA C 65 58.550 59.570 -1.020 1
1 647 . 10 1 1 A 65 65 SER CB C 65 64.393 65.074 -0.681 1
1 648 . 10 1 1 A 65 65 SER N N 65 115.837 118.536 -2.699 1
1 649 . 10 1 1 A 66 66 GLY H H 66 7.876 9.017 -1.141 1
1 650 . 10 1 1 A 66 66 GLY HA2 H 66 4.284 3.824 0.460 1
1 651 . 10 1 1 A 66 66 GLY HA3 H 66 3.679 3.846 -0.167 1
1 652 . 10 1 1 A 66 66 GLY C C 66 174.550 174.854 -0.304 1
1 653 . 10 1 1 A 66 66 GLY CA C 66 45.570 46.197 -0.627 1
1 654 . 10 1 1 A 66 66 GLY N N 66 109.151 109.787 -0.636 1
1 655 . 10 1 1 A 67 67 SER H H 67 8.416 7.901 0.515 1
1 656 . 10 1 1 A 67 67 SER HA H 67 4.583 4.654 -0.071 1
1 659 . 10 1 1 A 67 67 SER C C 67 173.680 173.342 0.338 1
1 660 . 10 1 1 A 67 67 SER CA C 67 58.070 59.095 -1.025 1
1 661 . 10 1 1 A 67 67 SER CB C 67 63.300 65.300 -2.000 1
1 662 . 10 1 1 A 67 67 SER N N 67 119.156 112.065 7.091 1
1 663 . 10 1 1 A 68 68 LYS H H 68 8.880 7.903 0.977 1
1 664 . 10 1 1 A 68 68 LYS HA H 68 3.233 5.041 -1.808 1
1 671 . 10 1 1 A 68 68 LYS C C 68 176.440 174.726 1.714 1
1 672 . 10 1 1 A 68 68 LYS CA C 68 57.920 54.933 2.987 1
1 673 . 10 1 1 A 68 68 LYS CB C 68 31.822 35.239 -3.417 1
1 677 . 10 1 1 A 68 68 LYS N N 68 128.005 117.614 10.391 1
1 678 . 10 1 1 A 69 69 VAL H H 69 9.215 9.347 -0.132 1
1 679 . 10 1 1 A 69 69 VAL HA H 69 4.185 4.687 -0.502 1
1 687 . 10 1 1 A 69 69 VAL C C 69 176.170 173.892 2.278 1
1 688 . 10 1 1 A 69 69 VAL CA C 69 62.860 60.770 2.090 1
1 689 . 10 1 1 A 69 69 VAL CB C 69 33.660 31.971 1.689 1
1 692 . 10 1 1 A 69 69 VAL N N 69 126.574 119.883 6.691 1
1 693 . 10 1 1 A 70 70 ALA H H 70 7.647 8.201 -0.554 1
1 694 . 10 1 1 A 70 70 ALA HA H 70 4.614 4.632 -0.018 1
1 698 . 10 1 1 A 70 70 ALA C C 70 175.170 177.308 -2.138 1
1 699 . 10 1 1 A 70 70 ALA CA C 70 52.400 50.487 1.913 1
1 700 . 10 1 1 A 70 70 ALA CB C 70 23.350 19.585 3.765 1
1 701 . 10 1 1 A 70 70 ALA N N 70 118.268 128.018 -9.750 1
1 702 . 10 1 1 A 71 71 VAL H H 71 8.428 8.592 -0.164 1
1 703 . 10 1 1 A 71 71 VAL HA H 71 4.216 3.991 0.225 1
1 711 . 10 1 1 A 71 71 VAL C C 71 175.810 176.076 -0.266 1
1 712 . 10 1 1 A 71 71 VAL CA C 71 62.380 65.271 -2.891 1
1 713 . 10 1 1 A 71 71 VAL CB C 71 33.120 32.278 0.842 1
1 716 . 10 1 1 A 71 71 VAL N N 71 119.624 123.049 -3.425 1
1 717 . 10 1 1 A 72 72 LEU H H 72 8.333 8.029 0.304 1
1 718 . 10 1 1 A 72 72 LEU HA H 72 3.882 3.920 -0.038 1
1 728 . 10 1 1 A 72 72 LEU C C 72 176.580 176.538 0.042 1
1 729 . 10 1 1 A 72 72 LEU CA C 72 54.600 55.933 -1.333 1
1 730 . 10 1 1 A 72 72 LEU CB C 72 37.880 41.285 -3.405 1
1 734 . 10 1 1 A 72 72 LEU N N 72 130.241 122.542 7.699 1
1 735 . 10 1 1 A 73 73 SER H H 73 7.865 7.917 -0.052 1
1 736 . 10 1 1 A 73 73 SER HA H 73 4.304 4.699 -0.395 1
1 739 . 10 1 1 A 73 73 SER C C 73 173.470 174.769 -1.299 1
1 740 . 10 1 1 A 73 73 SER CA C 73 59.400 57.444 1.956 1
1 741 . 10 1 1 A 73 73 SER CB C 73 64.230 64.483 -0.253 1
1 742 . 10 1 1 A 73 73 SER N N 73 116.577 114.322 2.255 1
1 743 . 10 1 1 A 74 74 ASP H H 74 7.553 7.998 -0.445 1
1 744 . 10 1 1 A 74 74 ASP HA H 74 4.858 4.790 0.068 1
1 747 . 10 1 1 A 74 74 ASP C C 74 175.910 177.237 -1.327 1
1 748 . 10 1 1 A 74 74 ASP CA C 74 53.057 53.316 -0.259 1
1 749 . 10 1 1 A 74 74 ASP CB C 74 41.720 41.646 0.074 1
1 750 . 10 1 1 A 74 74 ASP N N 74 120.482 118.391 2.091 1
1 751 . 10 1 1 A 75 75 ASP H H 75 8.601 8.361 0.240 1
1 752 . 10 1 1 A 75 75 ASP HA H 75 4.375 4.290 0.085 1
1 755 . 10 1 1 A 75 75 ASP C C 75 176.590 177.243 -0.653 1
1 756 . 10 1 1 A 75 75 ASP CA C 75 56.760 56.244 0.516 1
1 757 . 10 1 1 A 75 75 ASP CB C 75 41.310 39.555 1.755 1
1 758 . 10 1 1 A 75 75 ASP N N 75 125.434 121.066 4.368 1
1 759 . 10 1 1 A 76 76 SER H H 76 8.558 7.811 0.747 1
1 760 . 10 1 1 A 76 76 SER HA H 76 4.463 4.640 -0.177 1
1 763 . 10 1 1 A 76 76 SER C C 76 175.630 173.518 2.112 1
1 764 . 10 1 1 A 76 76 SER CA C 76 59.320 58.226 1.094 1
1 765 . 10 1 1 A 76 76 SER CB C 76 64.255 63.740 0.515 1
1 766 . 10 1 1 A 76 76 SER N N 76 112.502 112.726 -0.224 1
1 767 . 10 1 1 A 77 77 ARG H H 77 7.381 7.091 0.290 1
1 768 . 10 1 1 A 77 77 ARG HA H 77 4.318 4.775 -0.457 1
1 775 . 10 1 1 A 77 77 ARG CA C 77 53.260 52.844 0.416 1
1 776 . 10 1 1 A 77 77 ARG CB C 77 30.880 31.590 -0.710 1
1 779 . 10 1 1 A 77 77 ARG N N 77 123.368 119.305 4.063 1
1 780 . 10 1 1 A 78 78 PRO HA H 78 4.697 4.540 0.157 1
1 787 . 10 1 1 A 78 78 PRO C C 78 178.090 177.972 0.118 1
1 788 . 10 1 1 A 78 78 PRO CA C 78 61.970 63.295 -1.325 1
1 789 . 10 1 1 A 78 78 PRO CB C 78 31.380 31.788 -0.408 1
1 792 . 10 1 1 A 79 79 LEU H H 79 9.260 8.968 0.292 1
1 793 . 10 1 1 A 79 79 LEU HA H 79 4.099 4.223 -0.124 1
1 803 . 10 1 1 A 79 79 LEU C C 79 178.680 178.922 -0.242 1
1 804 . 10 1 1 A 79 79 LEU CA C 79 58.290 57.667 0.623 1
1 805 . 10 1 1 A 79 79 LEU CB C 79 42.160 42.063 0.097 1
1 809 . 10 1 1 A 79 79 LEU N N 79 124.739 126.386 -1.647 1
1 810 . 10 1 1 A 80 80 GLY H H 80 9.611 8.048 1.563 1
1 811 . 10 1 1 A 80 80 GLY HA2 H 80 4.003 3.697 0.306 1
1 812 . 10 1 1 A 80 80 GLY HA3 H 80 3.683 3.720 -0.037 1
1 813 . 10 1 1 A 80 80 GLY C C 80 175.850 175.857 -0.007 1
1 814 . 10 1 1 A 80 80 GLY CA C 80 46.830 47.391 -0.561 1
1 815 . 10 1 1 A 80 80 GLY N N 80 102.276 107.508 -5.232 1
1 816 . 10 1 1 A 81 81 PHE H H 81 8.177 8.082 0.095 1
1 817 . 10 1 1 A 81 81 PHE HA H 81 4.090 4.077 0.013 1
1 822 . 10 1 1 A 81 81 PHE C C 81 175.810 177.575 -1.765 1
1 823 . 10 1 1 A 81 81 PHE CA C 81 60.560 60.683 -0.123 1
1 824 . 10 1 1 A 81 81 PHE CB C 81 39.640 39.040 0.600 1
1 827 . 10 1 1 A 81 81 PHE N N 81 123.413 123.210 0.203 1
1 828 . 10 1 1 A 82 82 PHE H H 82 7.733 8.046 -0.313 1
1 829 . 10 1 1 A 82 82 PHE HA H 82 4.171 4.014 0.157 1
1 834 . 10 1 1 A 82 82 PHE C C 82 172.960 175.387 -2.427 1
1 835 . 10 1 1 A 82 82 PHE CA C 82 57.730 61.403 -3.673 1
1 836 . 10 1 1 A 82 82 PHE CB C 82 38.670 39.173 -0.503 1
1 839 . 10 1 1 A 82 82 PHE N N 82 114.781 120.337 -5.556 1
1 840 . 10 1 1 A 83 83 SER H H 83 7.541 8.066 -0.525 1
1 841 . 10 1 1 A 83 83 SER HA H 83 3.898 3.980 -0.082 1
1 844 . 10 1 1 A 83 83 SER CA C 83 57.980 58.862 -0.882 1
1 845 . 10 1 1 A 83 83 SER CB C 83 61.882 61.333 0.549 1
1 846 . 10 1 1 A 83 83 SER N N 83 108.622 113.763 -5.141 1
1 847 . 10 1 1 A 85 85 PHE HA H 85 4.447 4.991 -0.544 1
1 854 . 10 1 1 A 85 85 PHE C C 85 173.640 174.705 -1.065 1
1 855 . 10 1 1 A 85 85 PHE CA C 85 55.600 56.453 -0.853 1
1 856 . 10 1 1 A 85 85 PHE CB C 85 42.180 42.318 -0.138 1
1 861 . 10 1 1 A 86 86 ASP H H 86 8.469 8.936 -0.467 1
1 862 . 10 1 1 A 86 86 ASP HA H 86 4.934 4.769 0.165 1
1 865 . 10 1 1 A 86 86 ASP C C 86 177.910 176.946 0.964 1
1 866 . 10 1 1 A 86 86 ASP CA C 86 55.927 54.140 1.787 1
1 867 . 10 1 1 A 86 86 ASP CB C 86 41.109 40.046 1.063 1
1 868 . 10 1 1 A 86 86 ASP N N 86 119.276 123.892 -4.616 1
1 869 . 10 1 1 A 87 87 GLY H H 87 9.163 8.066 1.097 1
1 870 . 10 1 1 A 87 87 GLY HA2 H 87 4.570 3.933 0.637 1
1 871 . 10 1 1 A 87 87 GLY HA3 H 87 3.701 4.087 -0.386 1
1 872 . 10 1 1 A 87 87 GLY C C 87 175.180 173.141 2.039 1
1 873 . 10 1 1 A 87 87 GLY CA C 87 45.540 45.603 -0.063 1
1 874 . 10 1 1 A 87 87 GLY N N 87 109.579 112.171 -2.592 1
1 875 . 10 1 1 A 88 88 PHE H H 88 8.270 8.071 0.199 1
1 876 . 10 1 1 A 88 88 PHE HA H 88 4.653 5.237 -0.584 1
1 883 . 10 1 1 A 88 88 PHE C C 88 172.620 175.283 -2.663 1
1 884 . 10 1 1 A 88 88 PHE CA C 88 57.570 56.654 0.916 1
1 885 . 10 1 1 A 88 88 PHE CB C 88 38.750 43.553 -4.803 1
1 890 . 10 1 1 A 88 88 PHE N N 88 121.300 118.535 2.765 1
1 891 . 10 1 1 A 89 89 ARG H H 89 9.056 9.074 -0.018 1
1 892 . 10 1 1 A 89 89 ARG HA H 89 5.652 5.492 0.160 1
1 899 . 10 1 1 A 89 89 ARG C C 89 174.990 175.141 -0.151 1
1 900 . 10 1 1 A 89 89 ARG CA C 89 54.067 54.994 -0.927 1
1 901 . 10 1 1 A 89 89 ARG CB C 89 35.630 33.840 1.790 1
1 904 . 10 1 1 A 89 89 ARG N N 89 120.200 120.885 -0.685 1
1 905 . 10 1 1 A 90 90 LEU H H 90 9.487 9.730 -0.243 1
1 906 . 10 1 1 A 90 90 LEU HA H 90 5.244 4.822 0.422 1
1 916 . 10 1 1 A 90 90 LEU C C 90 173.050 175.158 -2.108 1
1 917 . 10 1 1 A 90 90 LEU CA C 90 53.250 53.784 -0.534 1
1 918 . 10 1 1 A 90 90 LEU CB C 90 44.870 42.227 2.643 1
1 922 . 10 1 1 A 90 90 LEU N N 90 128.373 124.855 3.518 1
1 923 . 10 1 1 A 91 91 HIS H H 91 9.474 8.912 0.562 1
1 924 . 10 1 1 A 91 91 HIS HA H 91 5.357 5.051 0.306 1
1 929 . 10 1 1 A 91 91 HIS C C 91 173.870 173.259 0.611 1
1 930 . 10 1 1 A 91 91 HIS CA C 91 54.320 54.339 -0.019 1
1 931 . 10 1 1 A 91 91 HIS CB C 91 36.070 30.161 5.909 1
1 934 . 10 1 1 A 91 91 HIS N N 91 125.565 125.140 0.425 1
1 935 . 10 1 1 A 92 92 ILE H H 92 8.341 8.779 -0.438 1
1 936 . 10 1 1 A 92 92 ILE HA H 92 4.045 4.061 -0.016 1
1 946 . 10 1 1 A 92 92 ILE C C 92 173.350 175.439 -2.089 1
1 947 . 10 1 1 A 92 92 ILE CA C 92 61.380 61.510 -0.130 1
1 948 . 10 1 1 A 92 92 ILE CB C 92 40.040 37.398 2.642 1
1 952 . 10 1 1 A 92 92 ILE N N 92 126.939 128.742 -1.803 1
1 953 . 10 1 1 A 93 93 ILE H H 93 8.754 8.964 -0.210 1
1 954 . 10 1 1 A 93 93 ILE HA H 93 3.744 3.959 -0.215 1
1 964 . 10 1 1 A 93 93 ILE C C 93 174.450 175.035 -0.585 1
1 965 . 10 1 1 A 93 93 ILE CA C 93 60.480 61.791 -1.311 1
1 966 . 10 1 1 A 93 93 ILE CB C 93 41.250 37.783 3.467 1
1 970 . 10 1 1 A 93 93 ILE N N 93 126.486 128.993 -2.507 1
1 971 . 10 1 1 A 94 94 ASP H H 94 7.976 8.529 -0.553 1
1 972 . 10 1 1 A 94 94 ASP HA H 94 4.881 4.751 0.130 1
1 975 . 10 1 1 A 94 94 ASP C C 94 176.710 175.166 1.544 1
1 976 . 10 1 1 A 94 94 ASP CA C 94 52.170 53.821 -1.651 1
1 977 . 10 1 1 A 94 94 ASP CB C 94 42.000 40.255 1.745 1
1 978 . 10 1 1 A 94 94 ASP N N 94 124.752 127.996 -3.244 1
1 979 . 10 1 1 A 95 95 LEU H H 95 9.218 8.199 1.019 1
1 980 . 10 1 1 A 95 95 LEU HA H 95 4.111 4.852 -0.741 1
1 990 . 10 1 1 A 95 95 LEU C C 95 177.230 176.192 1.038 1
1 991 . 10 1 1 A 95 95 LEU CA C 95 55.553 53.563 1.990 1
1 992 . 10 1 1 A 95 95 LEU CB C 95 42.380 42.969 -0.589 1
1 996 . 10 1 1 A 95 95 LEU N N 95 126.286 125.294 0.992 1
1 997 . 10 1 1 A 96 96 ASP H H 96 8.762 8.464 0.298 1
1 998 . 10 1 1 A 96 96 ASP HA H 96 4.946 4.991 -0.045 1
1 1001 . 10 1 1 A 96 96 ASP CA C 96 52.598 51.936 0.662 1
1 1002 . 10 1 1 A 96 96 ASP CB C 96 41.400 41.352 0.048 1
1 1 . 11 1 1 A 10 10 HIS HA H 10 4.439 4.962 -0.523 1
1 4 . 11 1 1 A 10 10 HIS CA C 10 55.740 54.006 1.734 1
1 5 . 11 1 1 A 10 10 HIS CB C 10 32.490 32.139 0.351 1
1 6 . 11 1 1 A 11 11 GLY H H 11 8.463 8.401 0.062 1
1 7 . 11 1 1 A 11 11 GLY HA2 H 11 3.930 4.007 -0.077 1
1 8 . 11 1 1 A 11 11 GLY HA3 H 11 3.989 4.033 -0.044 1
1 9 . 11 1 1 A 11 11 GLY C C 11 173.720 172.737 0.983 1
1 10 . 11 1 1 A 11 11 GLY CA C 11 45.450 44.687 0.763 1
1 11 . 11 1 1 A 11 11 GLY N N 11 110.200 106.957 3.243 1
1 12 . 11 1 1 A 12 12 ASP H H 12 8.174 8.504 -0.330 1
1 13 . 11 1 1 A 12 12 ASP HA H 12 4.656 5.029 -0.373 1
1 16 . 11 1 1 A 12 12 ASP C C 12 174.950 174.074 0.876 1
1 17 . 11 1 1 A 12 12 ASP CA C 12 54.140 53.157 0.983 1
1 18 . 11 1 1 A 12 12 ASP CB C 12 41.370 40.812 0.558 1
1 19 . 11 1 1 A 12 12 ASP N N 12 120.300 123.675 -3.375 1
1 20 . 11 1 1 A 13 13 ASP H H 13 8.405 8.384 0.021 1
1 21 . 11 1 1 A 13 13 ASP HA H 13 4.630 5.077 -0.447 1
1 24 . 11 1 1 A 13 13 ASP C C 13 176.040 174.220 1.820 1
1 25 . 11 1 1 A 13 13 ASP CA C 13 53.910 54.479 -0.569 1
1 26 . 11 1 1 A 13 13 ASP CB C 13 40.840 44.647 -3.807 1
1 27 . 11 1 1 A 13 13 ASP N N 13 121.700 124.572 -2.872 1
1 28 . 11 1 1 A 14 14 SER H H 14 8.120 8.479 -0.359 1
1 29 . 11 1 1 A 14 14 SER HA H 14 4.570 5.208 -0.638 1
1 32 . 11 1 1 A 14 14 SER C C 14 173.350 173.279 0.071 1
1 33 . 11 1 1 A 14 14 SER CA C 14 59.250 57.573 1.677 1
1 34 . 11 1 1 A 14 14 SER CB C 14 64.956 65.899 -0.943 1
1 35 . 11 1 1 A 14 14 SER N N 14 114.400 119.964 -5.564 1
1 36 . 11 1 1 A 15 15 VAL H H 15 8.859 8.414 0.445 1
1 37 . 11 1 1 A 15 15 VAL HA H 15 4.754 4.076 0.678 1
1 45 . 11 1 1 A 15 15 VAL C C 15 174.290 175.541 -1.251 1
1 46 . 11 1 1 A 15 15 VAL CA C 15 59.546 61.736 -2.190 1
1 47 . 11 1 1 A 15 15 VAL CB C 15 34.830 32.599 2.231 1
1 50 . 11 1 1 A 15 15 VAL N N 15 118.659 122.491 -3.832 1
1 51 . 11 1 1 A 16 16 HIS H H 16 9.376 8.894 0.482 1
1 52 . 11 1 1 A 16 16 HIS HA H 16 5.030 4.729 0.301 1
1 56 . 11 1 1 A 16 16 HIS C C 16 173.700 174.137 -0.437 1
1 57 . 11 1 1 A 16 16 HIS CA C 16 54.914 55.349 -0.435 1
1 58 . 11 1 1 A 16 16 HIS CB C 16 30.300 28.431 1.869 1
1 60 . 11 1 1 A 16 16 HIS N N 16 126.974 124.081 2.893 1
1 61 . 11 1 1 A 17 17 LEU H H 17 8.888 8.540 0.348 1
1 62 . 11 1 1 A 17 17 LEU HA H 17 5.100 4.664 0.436 1
1 72 . 11 1 1 A 17 17 LEU C C 17 175.750 175.912 -0.162 1
1 73 . 11 1 1 A 17 17 LEU CA C 17 53.160 53.949 -0.789 1
1 74 . 11 1 1 A 17 17 LEU CB C 17 44.890 41.370 3.520 1
1 78 . 11 1 1 A 17 17 LEU N N 17 126.426 125.117 1.309 1
1 79 . 11 1 1 A 18 18 HIS H H 18 8.610 8.799 -0.189 1
1 80 . 11 1 1 A 18 18 HIS HA H 18 5.191 4.876 0.315 1
1 84 . 11 1 1 A 18 18 HIS C C 18 174.120 174.776 -0.656 1
1 85 . 11 1 1 A 18 18 HIS CA C 18 55.120 55.850 -0.730 1
1 86 . 11 1 1 A 18 18 HIS CB C 18 31.000 29.890 1.110 1
1 88 . 11 1 1 A 18 18 HIS N N 18 120.309 124.973 -4.664 1
1 89 . 11 1 1 A 19 19 ILE H H 19 9.050 8.743 0.307 1
1 90 . 11 1 1 A 19 19 ILE HA H 19 5.704 4.525 1.179 1
1 100 . 11 1 1 A 19 19 ILE C C 19 175.890 175.043 0.847 1
1 101 . 11 1 1 A 19 19 ILE CA C 19 60.250 61.535 -1.285 1
1 102 . 11 1 1 A 19 19 ILE CB C 19 40.500 36.995 3.505 1
1 106 . 11 1 1 A 19 19 ILE N N 19 123.672 125.378 -1.706 1
1 107 . 11 1 1 A 20 20 THR H H 20 9.224 9.247 -0.023 1
1 108 . 11 1 1 A 20 20 THR HA H 20 4.970 5.274 -0.304 1
1 110 . 11 1 1 A 20 20 THR C C 20 172.920 173.430 -0.510 1
1 111 . 11 1 1 A 20 20 THR CA C 20 60.960 61.421 -0.461 1
1 112 . 11 1 1 A 20 20 THR CB C 20 71.732 71.463 0.269 1
1 114 . 11 1 1 A 20 20 THR N N 20 117.905 123.884 -5.979 1
1 115 . 11 1 1 A 21 21 HIS H H 21 9.755 8.977 0.778 1
1 116 . 11 1 1 A 21 21 HIS HA H 21 5.053 5.090 -0.037 1
1 121 . 11 1 1 A 21 21 HIS C C 21 175.830 175.367 0.463 1
1 122 . 11 1 1 A 21 21 HIS CA C 21 55.561 54.799 0.762 1
1 123 . 11 1 1 A 21 21 HIS CB C 21 36.450 33.848 2.602 1
1 126 . 11 1 1 A 21 21 HIS N N 21 122.170 122.670 -0.500 1
1 127 . 11 1 1 A 22 22 ALA H H 22 9.098 9.083 0.015 1
1 128 . 11 1 1 A 22 22 ALA HA H 22 4.116 4.281 -0.165 1
1 132 . 11 1 1 A 22 22 ALA C C 22 178.340 178.651 -0.311 1
1 133 . 11 1 1 A 22 22 ALA CA C 22 54.670 53.374 1.296 1
1 134 . 11 1 1 A 22 22 ALA CB C 22 20.870 20.062 0.808 1
1 135 . 11 1 1 A 22 22 ALA N N 22 128.332 123.419 4.913 1
1 136 . 11 1 1 A 23 23 ASN H H 23 10.395 8.562 1.833 1
1 137 . 11 1 1 A 23 23 ASN HA H 23 5.066 4.512 0.554 1
1 142 . 11 1 1 A 23 23 ASN C C 23 175.090 175.114 -0.024 1
1 143 . 11 1 1 A 23 23 ASN CA C 23 53.649 55.615 -1.966 1
1 144 . 11 1 1 A 23 23 ASN CB C 23 41.160 38.699 2.461 1
1 145 . 11 1 1 A 23 23 ASN N N 23 116.400 116.889 -0.489 1
1 147 . 11 1 1 A 24 24 LEU H H 24 7.752 8.230 -0.478 1
1 148 . 11 1 1 A 24 24 LEU HA H 24 4.637 4.505 0.132 1
1 157 . 11 1 1 A 24 24 LEU C C 24 176.810 177.665 -0.855 1
1 158 . 11 1 1 A 24 24 LEU CA C 24 53.380 54.186 -0.806 1
1 159 . 11 1 1 A 24 24 LEU CB C 24 41.630 42.350 -0.720 1
1 162 . 11 1 1 A 24 24 LEU N N 24 122.870 118.154 4.716 1
1 163 . 11 1 1 A 25 25 LYS H H 25 8.491 8.562 -0.071 1
1 164 . 11 1 1 A 25 25 LYS HA H 25 4.196 4.185 0.011 1
1 171 . 11 1 1 A 25 25 LYS C C 25 177.530 176.426 1.104 1
1 172 . 11 1 1 A 25 25 LYS CA C 25 59.270 58.957 0.313 1
1 173 . 11 1 1 A 25 25 LYS CB C 25 32.300 32.203 0.097 1
1 177 . 11 1 1 A 25 25 LYS N N 25 124.310 124.940 -0.630 1
1 178 . 11 1 1 A 26 26 SER H H 26 8.512 7.815 0.697 1
1 179 . 11 1 1 A 26 26 SER HA H 26 4.513 4.912 -0.399 1
1 182 . 11 1 1 A 26 26 SER C C 26 174.090 172.796 1.294 1
1 183 . 11 1 1 A 26 26 SER CA C 26 58.200 57.068 1.132 1
1 184 . 11 1 1 A 26 26 SER CB C 26 63.487 64.641 -1.154 1
1 185 . 11 1 1 A 26 26 SER N N 26 111.482 115.468 -3.986 1
1 186 . 11 1 1 A 27 27 PHE H H 27 7.723 9.298 -1.575 1
1 187 . 11 1 1 A 27 27 PHE HA H 27 4.463 5.053 -0.590 1
1 194 . 11 1 1 A 27 27 PHE C C 27 175.270 174.497 0.773 1
1 195 . 11 1 1 A 27 27 PHE CA C 27 59.290 56.949 2.341 1
1 196 . 11 1 1 A 27 27 PHE CB C 27 40.440 40.732 -0.292 1
1 201 . 11 1 1 A 27 27 PHE N N 27 123.451 130.936 -7.485 1
1 202 . 11 1 1 A 28 28 SER H H 28 7.702 8.589 -0.887 1
1 203 . 11 1 1 A 28 28 SER HA H 28 4.630 4.696 -0.066 1
1 206 . 11 1 1 A 28 28 SER C C 28 172.060 173.200 -1.140 1
1 207 . 11 1 1 A 28 28 SER CA C 28 57.700 57.418 0.282 1
1 208 . 11 1 1 A 28 28 SER CB C 28 64.600 62.943 1.657 1
1 209 . 11 1 1 A 28 28 SER N N 28 123.039 121.322 1.717 1
1 210 . 11 1 1 A 29 29 ALA H H 29 8.154 7.759 0.395 1
1 211 . 11 1 1 A 29 29 ALA HA H 29 4.655 4.686 -0.031 1
1 215 . 11 1 1 A 29 29 ALA C C 29 174.090 175.027 -0.937 1
1 216 . 11 1 1 A 29 29 ALA CA C 29 51.300 51.751 -0.451 1
1 217 . 11 1 1 A 29 29 ALA CB C 29 22.900 20.172 2.728 1
1 218 . 11 1 1 A 29 29 ALA N N 29 124.700 126.768 -2.068 1
1 219 . 11 1 1 A 30 30 ASP H H 30 8.395 9.090 -0.695 1
1 220 . 11 1 1 A 30 30 ASP HA H 30 5.532 5.187 0.345 1
1 223 . 11 1 1 A 30 30 ASP C C 30 174.320 174.834 -0.514 1
1 224 . 11 1 1 A 30 30 ASP CA C 30 53.870 52.694 1.176 1
1 225 . 11 1 1 A 30 30 ASP CB C 30 44.420 42.056 2.364 1
1 226 . 11 1 1 A 30 30 ASP N N 30 117.900 125.602 -7.702 1
1 227 . 11 1 1 A 31 31 ALA H H 31 8.866 8.852 0.014 1
1 228 . 11 1 1 A 31 31 ALA HA H 31 4.554 4.240 0.314 1
1 232 . 11 1 1 A 31 31 ALA C C 31 174.240 176.275 -2.035 1
1 233 . 11 1 1 A 31 31 ALA CA C 31 51.710 51.318 0.392 1
1 234 . 11 1 1 A 31 31 ALA CB C 31 22.710 18.301 4.409 1
1 235 . 11 1 1 A 31 31 ALA N N 31 121.463 129.354 -7.891 1
1 236 . 11 1 1 A 32 32 ARG H H 32 8.056 7.687 0.369 1
1 237 . 11 1 1 A 32 32 ARG HA H 32 5.232 5.493 -0.261 1
1 244 . 11 1 1 A 32 32 ARG C C 32 175.610 175.484 0.126 1
1 245 . 11 1 1 A 32 32 ARG CA C 32 54.780 55.249 -0.469 1
1 246 . 11 1 1 A 32 32 ARG CB C 32 31.840 30.852 0.988 1
1 249 . 11 1 1 A 32 32 ARG N N 32 119.065 121.853 -2.788 1
1 250 . 11 1 1 A 33 33 PHE H H 33 8.787 8.567 0.220 1
1 251 . 11 1 1 A 33 33 PHE HA H 33 4.900 4.964 -0.064 1
1 258 . 11 1 1 A 33 33 PHE C C 33 175.050 175.660 -0.610 1
1 259 . 11 1 1 A 33 33 PHE CA C 33 55.790 57.306 -1.516 1
1 260 . 11 1 1 A 33 33 PHE CB C 33 43.300 42.118 1.182 1
1 265 . 11 1 1 A 33 33 PHE N N 33 119.356 123.265 -3.909 1
1 266 . 11 1 1 A 34 34 SER H H 34 8.361 8.844 -0.483 1
1 267 . 11 1 1 A 34 34 SER HA H 34 4.910 4.856 0.054 1
1 268 . 11 1 1 A 34 34 SER CA C 34 55.270 57.191 -1.921 1
1 269 . 11 1 1 A 34 34 SER CB C 34 64.310 63.243 1.067 1
1 270 . 11 1 1 A 34 34 SER N N 34 118.000 115.875 2.125 1
1 271 . 11 1 1 A 35 35 PRO HA H 35 4.183 4.356 -0.173 1
1 278 . 11 1 1 A 35 35 PRO C C 35 176.460 176.805 -0.345 1
1 279 . 11 1 1 A 35 35 PRO CA C 35 64.120 63.790 0.330 1
1 280 . 11 1 1 A 35 35 PRO CB C 35 32.140 32.091 0.049 1
1 283 . 11 1 1 A 36 36 GLN H H 36 8.013 8.837 -0.824 1
1 284 . 11 1 1 A 36 36 GLN HA H 36 4.278 3.926 0.352 1
1 291 . 11 1 1 A 36 36 GLN C C 36 176.630 174.600 2.030 1
1 292 . 11 1 1 A 36 36 GLN CA C 36 56.600 57.516 -0.916 1
1 293 . 11 1 1 A 36 36 GLN CB C 36 29.380 26.913 2.467 1
1 295 . 11 1 1 A 36 36 GLN N N 36 114.700 115.842 -1.142 1
1 297 . 11 1 1 A 37 37 MET H H 37 7.628 7.868 -0.240 1
1 298 . 11 1 1 A 37 37 MET HA H 37 4.314 4.497 -0.183 1
1 303 . 11 1 1 A 37 37 MET C C 37 174.480 174.959 -0.479 1
1 304 . 11 1 1 A 37 37 MET CA C 37 56.260 56.211 0.049 1
1 305 . 11 1 1 A 37 37 MET CB C 37 34.890 33.534 1.356 1
1 307 . 11 1 1 A 37 37 MET N N 37 120.895 119.094 1.801 1
1 308 . 11 1 1 A 38 38 SER H H 38 8.740 8.509 0.231 1
1 309 . 11 1 1 A 38 38 SER HA H 38 4.650 4.564 0.086 1
1 312 . 11 1 1 A 38 38 SER C C 38 175.320 175.743 -0.423 1
1 313 . 11 1 1 A 38 38 SER CA C 38 57.555 57.498 0.057 1
1 314 . 11 1 1 A 38 38 SER CB C 38 64.800 63.498 1.302 1
1 315 . 11 1 1 A 38 38 SER N N 38 119.800 119.492 0.308 1
1 316 . 11 1 1 A 39 39 VAL H H 39 8.619 8.611 0.008 1
1 317 . 11 1 1 A 39 39 VAL HA H 39 3.405 3.640 -0.235 1
1 325 . 11 1 1 A 39 39 VAL C C 39 177.950 177.698 0.252 1
1 326 . 11 1 1 A 39 39 VAL CA C 39 68.010 66.136 1.874 1
1 327 . 11 1 1 A 39 39 VAL CB C 39 31.830 31.407 0.423 1
1 330 . 11 1 1 A 39 39 VAL N N 39 122.324 127.843 -5.519 1
1 331 . 11 1 1 A 40 40 GLU H H 40 8.737 8.269 0.468 1
1 332 . 11 1 1 A 40 40 GLU HA H 40 3.743 3.931 -0.188 1
1 337 . 11 1 1 A 40 40 GLU C C 40 177.450 178.333 -0.883 1
1 338 . 11 1 1 A 40 40 GLU CA C 40 60.570 59.435 1.135 1
1 339 . 11 1 1 A 40 40 GLU CB C 40 30.000 29.265 0.735 1
1 341 . 11 1 1 A 40 40 GLU N N 40 120.358 120.941 -0.583 1
1 342 . 11 1 1 A 41 41 ALA H H 41 8.056 7.825 0.231 1
1 343 . 11 1 1 A 41 41 ALA HA H 41 4.275 4.039 0.236 1
1 347 . 11 1 1 A 41 41 ALA C C 41 181.560 179.693 1.867 1
1 348 . 11 1 1 A 41 41 ALA CA C 41 55.080 55.117 -0.037 1
1 349 . 11 1 1 A 41 41 ALA CB C 41 18.570 18.360 0.210 1
1 350 . 11 1 1 A 41 41 ALA N N 41 123.045 121.533 1.512 1
1 351 . 11 1 1 A 42 42 VAL H H 42 8.519 7.942 0.577 1
1 352 . 11 1 1 A 42 42 VAL HA H 42 3.456 3.821 -0.365 1
1 360 . 11 1 1 A 42 42 VAL C C 42 177.950 177.865 0.085 1
1 361 . 11 1 1 A 42 42 VAL CA C 42 67.440 64.525 2.915 1
1 362 . 11 1 1 A 42 42 VAL CB C 42 31.370 31.558 -0.188 1
1 365 . 11 1 1 A 42 42 VAL N N 42 122.576 117.208 5.368 1
1 366 . 11 1 1 A 43 43 LYS H H 43 8.660 7.827 0.833 1
1 367 . 11 1 1 A 43 43 LYS HA H 43 3.905 3.927 -0.022 1
1 374 . 11 1 1 A 43 43 LYS C C 43 178.490 179.100 -0.610 1
1 375 . 11 1 1 A 43 43 LYS CA C 43 61.080 60.074 1.006 1
1 376 . 11 1 1 A 43 43 LYS CB C 43 33.450 32.029 1.421 1
1 380 . 11 1 1 A 43 43 LYS N N 43 118.752 122.551 -3.799 1
1 381 . 11 1 1 A 44 44 GLU H H 44 8.109 8.148 -0.039 1
1 382 . 11 1 1 A 44 44 GLU HA H 44 4.100 4.166 -0.066 1
1 387 . 11 1 1 A 44 44 GLU C C 44 178.760 178.902 -0.142 1
1 388 . 11 1 1 A 44 44 GLU CA C 44 60.560 59.387 1.173 1
1 389 . 11 1 1 A 44 44 GLU CB C 44 29.700 29.272 0.428 1
1 391 . 11 1 1 A 44 44 GLU N N 44 118.904 119.685 -0.781 1
1 392 . 11 1 1 A 45 45 LYS H H 45 7.868 7.421 0.447 1
1 393 . 11 1 1 A 45 45 LYS HA H 45 4.147 4.285 -0.138 1
1 400 . 11 1 1 A 45 45 LYS C C 45 180.020 179.327 0.693 1
1 401 . 11 1 1 A 45 45 LYS CA C 45 59.210 58.984 0.226 1
1 402 . 11 1 1 A 45 45 LYS CB C 45 32.540 31.892 0.648 1
1 406 . 11 1 1 A 45 45 LYS N N 45 118.353 119.865 -1.512 1
1 407 . 11 1 1 A 46 46 LEU H H 46 8.538 8.211 0.327 1
1 408 . 11 1 1 A 46 46 LEU HA H 46 4.147 4.024 0.123 1
1 418 . 11 1 1 A 46 46 LEU C C 46 179.950 179.262 0.688 1
1 419 . 11 1 1 A 46 46 LEU CA C 46 57.900 57.893 0.007 1
1 420 . 11 1 1 A 46 46 LEU CB C 46 40.800 41.819 -1.019 1
1 424 . 11 1 1 A 46 46 LEU N N 46 118.568 119.125 -0.557 1
1 425 . 11 1 1 A 47 47 TRP H H 47 9.308 8.629 0.679 1
1 426 . 11 1 1 A 47 47 TRP HA H 47 4.636 4.135 0.501 1
1 435 . 11 1 1 A 47 47 TRP C C 47 179.040 177.628 1.412 1
1 436 . 11 1 1 A 47 47 TRP CA C 47 60.312 60.564 -0.252 1
1 437 . 11 1 1 A 47 47 TRP CB C 47 28.080 29.764 -1.684 1
1 443 . 11 1 1 A 47 47 TRP N N 47 127.808 120.984 6.824 1
1 445 . 11 1 1 A 48 48 LYS H H 48 7.362 7.909 -0.547 1
1 446 . 11 1 1 A 48 48 LYS HA H 48 3.238 3.958 -0.720 1
1 453 . 11 1 1 A 48 48 LYS C C 48 177.660 177.275 0.385 1
1 454 . 11 1 1 A 48 48 LYS CA C 48 58.360 57.494 0.866 1
1 455 . 11 1 1 A 48 48 LYS CB C 48 32.090 31.977 0.113 1
1 459 . 11 1 1 A 48 48 LYS N N 48 118.583 118.168 0.415 1
1 460 . 11 1 1 A 49 49 LYS H H 49 7.339 7.539 -0.200 1
1 461 . 11 1 1 A 49 49 LYS HA H 49 4.388 4.005 0.383 1
1 468 . 11 1 1 A 49 49 LYS C C 49 177.120 177.560 -0.440 1
1 469 . 11 1 1 A 49 49 LYS CA C 49 57.469 59.278 -1.809 1
1 470 . 11 1 1 A 49 49 LYS CB C 49 33.990 32.910 1.080 1
1 474 . 11 1 1 A 49 49 LYS N N 49 114.530 120.897 -6.367 1
1 475 . 11 1 1 A 50 50 CYS H H 50 8.092 7.589 0.503 1
1 476 . 11 1 1 A 50 50 CYS HA H 50 4.880 4.523 0.357 1
1 479 . 11 1 1 A 50 50 CYS C C 50 174.560 175.287 -0.727 1
1 480 . 11 1 1 A 50 50 CYS CA C 50 57.213 58.374 -1.161 1
1 481 . 11 1 1 A 50 50 CYS CB C 50 31.470 29.612 1.858 1
1 482 . 11 1 1 A 50 50 CYS N N 50 110.536 114.479 -3.943 1
1 483 . 11 1 1 A 51 51 GLY H H 51 8.644 7.804 0.840 1
1 484 . 11 1 1 A 51 51 GLY HA2 H 51 4.248 2.890 1.358 1
1 485 . 11 1 1 A 51 51 GLY HA3 H 51 3.650 3.568 0.082 1
1 486 . 11 1 1 A 51 51 GLY C C 51 173.800 173.587 0.213 1
1 487 . 11 1 1 A 51 51 GLY CA C 51 46.390 45.871 0.519 1
1 488 . 11 1 1 A 51 51 GLY N N 51 113.666 111.854 1.812 1
1 489 . 11 1 1 A 52 52 THR H H 52 7.781 6.810 0.971 1
1 490 . 11 1 1 A 52 52 THR HA H 52 4.277 4.837 -0.560 1
1 495 . 11 1 1 A 52 52 THR C C 52 172.080 173.517 -1.437 1
1 496 . 11 1 1 A 52 52 THR CA C 52 63.630 61.043 2.587 1
1 497 . 11 1 1 A 52 52 THR CB C 52 69.720 71.871 -2.151 1
1 499 . 11 1 1 A 52 52 THR N N 52 121.643 113.967 7.676 1
1 500 . 11 1 1 A 53 53 SER H H 53 8.606 8.779 -0.173 1
1 501 . 11 1 1 A 53 53 SER HA H 53 3.775 4.664 -0.889 1
1 504 . 11 1 1 A 53 53 SER C C 53 175.890 174.124 1.766 1
1 505 . 11 1 1 A 53 53 SER CA C 53 58.590 59.397 -0.807 1
1 506 . 11 1 1 A 53 53 SER CB C 53 63.620 64.204 -0.584 1
1 507 . 11 1 1 A 53 53 SER N N 53 120.903 122.177 -1.274 1
1 508 . 11 1 1 A 54 54 VAL H H 54 7.895 8.762 -0.867 1
1 509 . 11 1 1 A 54 54 VAL HA H 54 3.563 4.121 -0.558 1
1 517 . 11 1 1 A 54 54 VAL C C 54 178.260 176.081 2.179 1
1 518 . 11 1 1 A 54 54 VAL CA C 54 66.600 62.795 3.805 1
1 519 . 11 1 1 A 54 54 VAL CB C 54 31.630 30.153 1.477 1
1 522 . 11 1 1 A 54 54 VAL N N 54 121.121 124.820 -3.699 1
1 523 . 11 1 1 A 55 55 ASN H H 55 8.148 8.847 -0.699 1
1 524 . 11 1 1 A 55 55 ASN HA H 55 4.496 4.996 -0.500 1
1 529 . 11 1 1 A 55 55 ASN C C 55 175.640 176.721 -1.081 1
1 530 . 11 1 1 A 55 55 ASN CA C 55 54.875 54.291 0.584 1
1 531 . 11 1 1 A 55 55 ASN CB C 55 38.120 40.498 -2.378 1
1 532 . 11 1 1 A 55 55 ASN N N 55 115.018 126.446 -11.428 1
1 534 . 11 1 1 A 56 56 SER H H 56 7.559 7.837 -0.278 1
1 535 . 11 1 1 A 56 56 SER HA H 56 4.585 4.464 0.121 1
1 538 . 11 1 1 A 56 56 SER C C 56 171.180 173.507 -2.327 1
1 539 . 11 1 1 A 56 56 SER CA C 56 57.260 58.850 -1.590 1
1 540 . 11 1 1 A 56 56 SER CB C 56 64.260 63.865 0.395 1
1 541 . 11 1 1 A 56 56 SER N N 56 114.545 110.712 3.833 1
1 542 . 11 1 1 A 57 57 MET H H 57 7.177 7.602 -0.425 1
1 543 . 11 1 1 A 57 57 MET HA H 57 4.785 4.862 -0.077 1
1 548 . 11 1 1 A 57 57 MET C C 57 175.400 173.783 1.617 1
1 549 . 11 1 1 A 57 57 MET CA C 57 55.631 54.089 1.542 1
1 550 . 11 1 1 A 57 57 MET CB C 57 36.740 35.977 0.763 1
1 552 . 11 1 1 A 57 57 MET N N 57 120.883 120.349 0.534 1
1 553 . 11 1 1 A 58 58 ALA H H 58 9.226 8.497 0.729 1
1 554 . 11 1 1 A 58 58 ALA HA H 58 4.723 5.290 -0.567 1
1 558 . 11 1 1 A 58 58 ALA C C 58 175.360 175.673 -0.313 1
1 559 . 11 1 1 A 58 58 ALA CA C 58 50.327 49.977 0.350 1
1 560 . 11 1 1 A 58 58 ALA CB C 58 21.580 21.599 -0.019 1
1 561 . 11 1 1 A 58 58 ALA N N 58 129.559 128.194 1.365 1
1 562 . 11 1 1 A 59 59 LEU H H 59 8.307 9.102 -0.795 1
1 563 . 11 1 1 A 59 59 LEU HA H 59 5.393 4.754 0.639 1
1 573 . 11 1 1 A 59 59 LEU C C 59 175.470 175.367 0.103 1
1 574 . 11 1 1 A 59 59 LEU CA C 59 52.970 53.714 -0.744 1
1 575 . 11 1 1 A 59 59 LEU CB C 59 47.410 41.944 5.466 1
1 579 . 11 1 1 A 59 59 LEU N N 59 118.793 123.754 -4.961 1
1 580 . 11 1 1 A 60 60 GLU H H 60 8.978 8.981 -0.003 1
1 581 . 11 1 1 A 60 60 GLU HA H 60 4.789 4.494 0.295 1
1 586 . 11 1 1 A 60 60 GLU C C 60 173.670 174.791 -1.121 1
1 587 . 11 1 1 A 60 60 GLU CA C 60 54.246 55.903 -1.657 1
1 588 . 11 1 1 A 60 60 GLU CB C 60 35.470 30.191 5.279 1
1 590 . 11 1 1 A 60 60 GLU N N 60 121.100 124.441 -3.341 1
1 591 . 11 1 1 A 61 61 LEU H H 61 8.651 8.550 0.101 1
1 592 . 11 1 1 A 61 61 LEU HA H 61 5.541 4.707 0.834 1
1 602 . 11 1 1 A 61 61 LEU C C 61 174.270 174.024 0.246 1
1 603 . 11 1 1 A 61 61 LEU CA C 61 53.120 53.729 -0.609 1
1 604 . 11 1 1 A 61 61 LEU CB C 61 46.890 42.871 4.019 1
1 608 . 11 1 1 A 61 61 LEU N N 61 122.689 127.510 -4.821 1
1 609 . 11 1 1 A 62 62 TYR H H 62 10.028 9.166 0.862 1
1 610 . 11 1 1 A 62 62 TYR HA H 62 5.096 5.518 -0.422 1
1 617 . 11 1 1 A 62 62 TYR C C 62 175.180 174.804 0.376 1
1 618 . 11 1 1 A 62 62 TYR CA C 62 56.520 56.443 0.077 1
1 619 . 11 1 1 A 62 62 TYR CB C 62 42.520 41.711 0.809 1
1 624 . 11 1 1 A 62 62 TYR N N 62 126.875 127.365 -0.490 1
1 625 . 11 1 1 A 63 63 ASP H H 63 8.573 9.375 -0.802 1
1 626 . 11 1 1 A 63 63 ASP HA H 63 2.824 5.075 -2.251 1
1 629 . 11 1 1 A 63 63 ASP C C 63 176.470 176.444 0.026 1
1 630 . 11 1 1 A 63 63 ASP CA C 63 51.490 54.781 -3.291 1
1 631 . 11 1 1 A 63 63 ASP CB C 63 41.490 41.502 -0.012 1
1 632 . 11 1 1 A 63 63 ASP N N 63 118.563 124.501 -5.938 1
1 633 . 11 1 1 A 64 64 ASP H H 64 8.319 9.052 -0.733 1
1 634 . 11 1 1 A 64 64 ASP HA H 64 4.396 4.512 -0.116 1
1 637 . 11 1 1 A 64 64 ASP C C 64 176.670 175.087 1.583 1
1 638 . 11 1 1 A 64 64 ASP CA C 64 55.270 56.005 -0.735 1
1 639 . 11 1 1 A 64 64 ASP CB C 64 39.540 40.696 -1.156 1
1 640 . 11 1 1 A 64 64 ASP N N 64 114.728 127.006 -12.278 1
1 641 . 11 1 1 A 65 65 SER H H 65 8.305 8.511 -0.206 1
1 642 . 11 1 1 A 65 65 SER HA H 65 4.640 4.699 -0.059 1
1 645 . 11 1 1 A 65 65 SER C C 65 174.700 175.477 -0.777 1
1 646 . 11 1 1 A 65 65 SER CA C 65 58.550 59.434 -0.884 1
1 647 . 11 1 1 A 65 65 SER CB C 65 64.393 65.903 -1.510 1
1 648 . 11 1 1 A 65 65 SER N N 65 115.837 112.437 3.400 1
1 649 . 11 1 1 A 66 66 GLY H H 66 7.876 7.782 0.094 1
1 650 . 11 1 1 A 66 66 GLY HA2 H 66 4.284 3.560 0.724 1
1 651 . 11 1 1 A 66 66 GLY HA3 H 66 3.679 3.835 -0.156 1
1 652 . 11 1 1 A 66 66 GLY C C 66 174.550 174.093 0.457 1
1 653 . 11 1 1 A 66 66 GLY CA C 66 45.570 45.284 0.286 1
1 654 . 11 1 1 A 66 66 GLY N N 66 109.151 109.452 -0.301 1
1 655 . 11 1 1 A 67 67 SER H H 67 8.416 7.317 1.099 1
1 656 . 11 1 1 A 67 67 SER HA H 67 4.583 4.369 0.214 1
1 659 . 11 1 1 A 67 67 SER C C 67 173.680 174.427 -0.747 1
1 660 . 11 1 1 A 67 67 SER CA C 67 58.070 60.020 -1.950 1
1 661 . 11 1 1 A 67 67 SER CB C 67 63.300 63.864 -0.564 1
1 662 . 11 1 1 A 67 67 SER N N 67 119.156 116.513 2.643 1
1 663 . 11 1 1 A 68 68 LYS H H 68 8.880 8.761 0.119 1
1 664 . 11 1 1 A 68 68 LYS HA H 68 3.233 4.861 -1.628 1
1 671 . 11 1 1 A 68 68 LYS C C 68 176.440 176.730 -0.290 1
1 672 . 11 1 1 A 68 68 LYS CA C 68 57.920 56.764 1.156 1
1 673 . 11 1 1 A 68 68 LYS CB C 68 31.822 32.608 -0.786 1
1 677 . 11 1 1 A 68 68 LYS N N 68 128.005 128.028 -0.023 1
1 678 . 11 1 1 A 69 69 VAL H H 69 9.215 8.696 0.519 1
1 679 . 11 1 1 A 69 69 VAL HA H 69 4.185 4.554 -0.369 1
1 687 . 11 1 1 A 69 69 VAL C C 69 176.170 176.070 0.100 1
1 688 . 11 1 1 A 69 69 VAL CA C 69 62.860 60.778 2.082 1
1 689 . 11 1 1 A 69 69 VAL CB C 69 33.660 31.700 1.960 1
1 692 . 11 1 1 A 69 69 VAL N N 69 126.574 120.886 5.688 1
1 693 . 11 1 1 A 70 70 ALA H H 70 7.647 7.387 0.260 1
1 694 . 11 1 1 A 70 70 ALA HA H 70 4.614 4.115 0.499 1
1 698 . 11 1 1 A 70 70 ALA C C 70 175.170 176.620 -1.450 1
1 699 . 11 1 1 A 70 70 ALA CA C 70 52.400 52.071 0.329 1
1 700 . 11 1 1 A 70 70 ALA CB C 70 23.350 18.941 4.409 1
1 701 . 11 1 1 A 70 70 ALA N N 70 118.268 126.129 -7.861 1
1 702 . 11 1 1 A 71 71 VAL H H 71 8.428 8.586 -0.158 1
1 703 . 11 1 1 A 71 71 VAL HA H 71 4.216 4.845 -0.629 1
1 711 . 11 1 1 A 71 71 VAL C C 71 175.810 173.064 2.746 1
1 712 . 11 1 1 A 71 71 VAL CA C 71 62.380 59.564 2.816 1
1 713 . 11 1 1 A 71 71 VAL CB C 71 33.120 35.483 -2.363 1
1 716 . 11 1 1 A 71 71 VAL N N 71 119.624 122.262 -2.638 1
1 717 . 11 1 1 A 72 72 LEU H H 72 8.333 8.911 -0.578 1
1 718 . 11 1 1 A 72 72 LEU HA H 72 3.882 5.132 -1.250 1
1 728 . 11 1 1 A 72 72 LEU C C 72 176.580 175.324 1.256 1
1 729 . 11 1 1 A 72 72 LEU CA C 72 54.600 53.475 1.125 1
1 730 . 11 1 1 A 72 72 LEU CB C 72 37.880 44.327 -6.447 1
1 734 . 11 1 1 A 72 72 LEU N N 72 130.241 129.717 0.524 1
1 735 . 11 1 1 A 73 73 SER H H 73 7.865 8.465 -0.600 1
1 736 . 11 1 1 A 73 73 SER HA H 73 4.304 4.739 -0.435 1
1 739 . 11 1 1 A 73 73 SER C C 73 173.470 174.123 -0.653 1
1 740 . 11 1 1 A 73 73 SER CA C 73 59.400 57.318 2.082 1
1 741 . 11 1 1 A 73 73 SER CB C 73 64.230 64.654 -0.424 1
1 742 . 11 1 1 A 73 73 SER N N 73 116.577 122.077 -5.500 1
1 743 . 11 1 1 A 74 74 ASP H H 74 7.553 7.967 -0.414 1
1 744 . 11 1 1 A 74 74 ASP HA H 74 4.858 4.841 0.017 1
1 747 . 11 1 1 A 74 74 ASP C C 74 175.910 177.034 -1.124 1
1 748 . 11 1 1 A 74 74 ASP CA C 74 53.057 53.564 -0.507 1
1 749 . 11 1 1 A 74 74 ASP CB C 74 41.720 41.673 0.047 1
1 750 . 11 1 1 A 74 74 ASP N N 74 120.482 120.157 0.325 1
1 751 . 11 1 1 A 75 75 ASP H H 75 8.601 7.932 0.669 1
1 752 . 11 1 1 A 75 75 ASP HA H 75 4.375 4.336 0.039 1
1 755 . 11 1 1 A 75 75 ASP C C 75 176.590 177.776 -1.186 1
1 756 . 11 1 1 A 75 75 ASP CA C 75 56.760 57.098 -0.338 1
1 757 . 11 1 1 A 75 75 ASP CB C 75 41.310 40.593 0.717 1
1 758 . 11 1 1 A 75 75 ASP N N 75 125.434 120.646 4.788 1
1 759 . 11 1 1 A 76 76 SER H H 76 8.558 7.859 0.699 1
1 760 . 11 1 1 A 76 76 SER HA H 76 4.463 4.642 -0.179 1
1 763 . 11 1 1 A 76 76 SER C C 76 175.630 172.500 3.130 1
1 764 . 11 1 1 A 76 76 SER CA C 76 59.320 58.379 0.941 1
1 765 . 11 1 1 A 76 76 SER CB C 76 64.255 63.925 0.330 1
1 766 . 11 1 1 A 76 76 SER N N 76 112.502 110.955 1.547 1
1 767 . 11 1 1 A 77 77 ARG H H 77 7.381 7.540 -0.159 1
1 768 . 11 1 1 A 77 77 ARG HA H 77 4.318 4.725 -0.407 1
1 775 . 11 1 1 A 77 77 ARG CA C 77 53.260 52.653 0.607 1
1 776 . 11 1 1 A 77 77 ARG CB C 77 30.880 31.905 -1.025 1
1 779 . 11 1 1 A 77 77 ARG N N 77 123.368 119.405 3.963 1
1 780 . 11 1 1 A 78 78 PRO HA H 78 4.697 4.631 0.066 1
1 787 . 11 1 1 A 78 78 PRO C C 78 178.090 178.094 -0.004 1
1 788 . 11 1 1 A 78 78 PRO CA C 78 61.970 63.082 -1.112 1
1 789 . 11 1 1 A 78 78 PRO CB C 78 31.380 31.766 -0.386 1
1 792 . 11 1 1 A 79 79 LEU H H 79 9.260 9.012 0.248 1
1 793 . 11 1 1 A 79 79 LEU HA H 79 4.099 4.168 -0.069 1
1 803 . 11 1 1 A 79 79 LEU C C 79 178.680 179.043 -0.363 1
1 804 . 11 1 1 A 79 79 LEU CA C 79 58.290 57.771 0.519 1
1 805 . 11 1 1 A 79 79 LEU CB C 79 42.160 41.837 0.323 1
1 809 . 11 1 1 A 79 79 LEU N N 79 124.739 126.412 -1.673 1
1 810 . 11 1 1 A 80 80 GLY H H 80 9.611 8.227 1.384 1
1 811 . 11 1 1 A 80 80 GLY HA2 H 80 4.003 3.930 0.073 1
1 812 . 11 1 1 A 80 80 GLY HA3 H 80 3.683 3.942 -0.259 1
1 813 . 11 1 1 A 80 80 GLY C C 80 175.850 175.560 0.290 1
1 814 . 11 1 1 A 80 80 GLY CA C 80 46.830 46.690 0.140 1
1 815 . 11 1 1 A 80 80 GLY N N 80 102.276 106.660 -4.384 1
1 816 . 11 1 1 A 81 81 PHE H H 81 8.177 8.248 -0.071 1
1 817 . 11 1 1 A 81 81 PHE HA H 81 4.090 4.122 -0.032 1
1 822 . 11 1 1 A 81 81 PHE C C 81 175.810 177.838 -2.028 1
1 823 . 11 1 1 A 81 81 PHE CA C 81 60.560 60.601 -0.041 1
1 824 . 11 1 1 A 81 81 PHE CB C 81 39.640 39.110 0.530 1
1 827 . 11 1 1 A 81 81 PHE N N 81 123.413 123.050 0.363 1
1 828 . 11 1 1 A 82 82 PHE H H 82 7.733 8.128 -0.395 1
1 829 . 11 1 1 A 82 82 PHE HA H 82 4.171 4.261 -0.090 1
1 834 . 11 1 1 A 82 82 PHE C C 82 172.960 175.516 -2.556 1
1 835 . 11 1 1 A 82 82 PHE CA C 82 57.730 60.617 -2.887 1
1 836 . 11 1 1 A 82 82 PHE CB C 82 38.670 39.793 -1.123 1
1 839 . 11 1 1 A 82 82 PHE N N 82 114.781 119.757 -4.976 1
1 840 . 11 1 1 A 83 83 SER H H 83 7.541 8.018 -0.477 1
1 841 . 11 1 1 A 83 83 SER HA H 83 3.898 4.129 -0.231 1
1 844 . 11 1 1 A 83 83 SER CA C 83 57.980 59.072 -1.092 1
1 845 . 11 1 1 A 83 83 SER CB C 83 61.882 61.510 0.372 1
1 846 . 11 1 1 A 83 83 SER N N 83 108.622 114.602 -5.980 1
1 847 . 11 1 1 A 85 85 PHE HA H 85 4.447 4.013 0.434 1
1 854 . 11 1 1 A 85 85 PHE C C 85 173.640 176.588 -2.948 1
1 855 . 11 1 1 A 85 85 PHE CA C 85 55.600 61.824 -6.224 1
1 856 . 11 1 1 A 85 85 PHE CB C 85 42.180 39.966 2.214 1
1 861 . 11 1 1 A 86 86 ASP H H 86 8.469 7.608 0.861 1
1 862 . 11 1 1 A 86 86 ASP HA H 86 4.934 4.826 0.108 1
1 865 . 11 1 1 A 86 86 ASP C C 86 177.910 175.297 2.613 1
1 866 . 11 1 1 A 86 86 ASP CA C 86 55.927 55.630 0.297 1
1 867 . 11 1 1 A 86 86 ASP CB C 86 41.109 43.140 -2.031 1
1 868 . 11 1 1 A 86 86 ASP N N 86 119.276 117.371 1.905 1
1 869 . 11 1 1 A 87 87 GLY H H 87 9.163 7.470 1.693 1
1 870 . 11 1 1 A 87 87 GLY HA2 H 87 4.570 3.940 0.630 1
1 871 . 11 1 1 A 87 87 GLY HA3 H 87 3.701 3.969 -0.268 1
1 872 . 11 1 1 A 87 87 GLY C C 87 175.180 171.615 3.565 1
1 873 . 11 1 1 A 87 87 GLY CA C 87 45.540 45.243 0.297 1
1 874 . 11 1 1 A 87 87 GLY N N 87 109.579 104.922 4.657 1
1 875 . 11 1 1 A 88 88 PHE H H 88 8.270 8.305 -0.035 1
1 876 . 11 1 1 A 88 88 PHE HA H 88 4.653 5.235 -0.582 1
1 883 . 11 1 1 A 88 88 PHE C C 88 172.620 175.086 -2.466 1
1 884 . 11 1 1 A 88 88 PHE CA C 88 57.570 56.508 1.062 1
1 885 . 11 1 1 A 88 88 PHE CB C 88 38.750 43.788 -5.038 1
1 890 . 11 1 1 A 88 88 PHE N N 88 121.300 119.425 1.875 1
1 891 . 11 1 1 A 89 89 ARG H H 89 9.056 9.072 -0.016 1
1 892 . 11 1 1 A 89 89 ARG HA H 89 5.652 4.944 0.708 1
1 899 . 11 1 1 A 89 89 ARG C C 89 174.990 175.242 -0.252 1
1 900 . 11 1 1 A 89 89 ARG CA C 89 54.067 55.956 -1.889 1
1 901 . 11 1 1 A 89 89 ARG CB C 89 35.630 30.933 4.697 1
1 904 . 11 1 1 A 89 89 ARG N N 89 120.200 121.687 -1.487 1
1 905 . 11 1 1 A 90 90 LEU H H 90 9.487 9.416 0.071 1
1 906 . 11 1 1 A 90 90 LEU HA H 90 5.244 4.787 0.457 1
1 916 . 11 1 1 A 90 90 LEU C C 90 173.050 175.154 -2.104 1
1 917 . 11 1 1 A 90 90 LEU CA C 90 53.250 54.151 -0.901 1
1 918 . 11 1 1 A 90 90 LEU CB C 90 44.870 41.267 3.603 1
1 922 . 11 1 1 A 90 90 LEU N N 90 128.373 126.965 1.408 1
1 923 . 11 1 1 A 91 91 HIS H H 91 9.474 9.208 0.266 1
1 924 . 11 1 1 A 91 91 HIS HA H 91 5.357 4.898 0.459 1
1 929 . 11 1 1 A 91 91 HIS C C 91 173.870 173.119 0.751 1
1 930 . 11 1 1 A 91 91 HIS CA C 91 54.320 54.306 0.014 1
1 931 . 11 1 1 A 91 91 HIS CB C 91 36.070 30.430 5.640 1
1 934 . 11 1 1 A 91 91 HIS N N 91 125.565 125.243 0.322 1
1 935 . 11 1 1 A 92 92 ILE H H 92 8.341 8.878 -0.537 1
1 936 . 11 1 1 A 92 92 ILE HA H 92 4.045 4.175 -0.130 1
1 946 . 11 1 1 A 92 92 ILE C C 92 173.350 175.367 -2.017 1
1 947 . 11 1 1 A 92 92 ILE CA C 92 61.380 60.866 0.514 1
1 948 . 11 1 1 A 92 92 ILE CB C 92 40.040 37.620 2.420 1
1 952 . 11 1 1 A 92 92 ILE N N 92 126.939 128.737 -1.798 1
1 953 . 11 1 1 A 93 93 ILE H H 93 8.754 9.052 -0.298 1
1 954 . 11 1 1 A 93 93 ILE HA H 93 3.744 4.103 -0.359 1
1 964 . 11 1 1 A 93 93 ILE C C 93 174.450 174.831 -0.381 1
1 965 . 11 1 1 A 93 93 ILE CA C 93 60.480 60.742 -0.262 1
1 966 . 11 1 1 A 93 93 ILE CB C 93 41.250 36.760 4.490 1
1 970 . 11 1 1 A 93 93 ILE N N 93 126.486 128.804 -2.318 1
1 971 . 11 1 1 A 94 94 ASP H H 94 7.976 8.931 -0.955 1
1 972 . 11 1 1 A 94 94 ASP HA H 94 4.881 4.905 -0.024 1
1 975 . 11 1 1 A 94 94 ASP C C 94 176.710 174.670 2.040 1
1 976 . 11 1 1 A 94 94 ASP CA C 94 52.170 53.519 -1.349 1
1 977 . 11 1 1 A 94 94 ASP CB C 94 42.000 40.092 1.908 1
1 978 . 11 1 1 A 94 94 ASP N N 94 124.752 128.167 -3.415 1
1 979 . 11 1 1 A 95 95 LEU H H 95 9.218 8.568 0.650 1
1 980 . 11 1 1 A 95 95 LEU HA H 95 4.111 4.526 -0.415 1
1 990 . 11 1 1 A 95 95 LEU C C 95 177.230 175.039 2.191 1
1 991 . 11 1 1 A 95 95 LEU CA C 95 55.553 54.111 1.442 1
1 992 . 11 1 1 A 95 95 LEU CB C 95 42.380 40.437 1.943 1
1 996 . 11 1 1 A 95 95 LEU N N 95 126.286 126.932 -0.646 1
1 997 . 11 1 1 A 96 96 ASP H H 96 8.762 8.154 0.608 1
1 998 . 11 1 1 A 96 96 ASP HA H 96 4.946 5.105 -0.159 1
1 1001 . 11 1 1 A 96 96 ASP CA C 96 52.598 50.635 1.963 1
1 1002 . 11 1 1 A 96 96 ASP CB C 96 41.400 42.464 -1.064 1
1 1 . 12 1 1 A 10 10 HIS HA H 10 4.439 4.861 -0.422 1
1 4 . 12 1 1 A 10 10 HIS CA C 10 55.740 56.109 -0.369 1
1 5 . 12 1 1 A 10 10 HIS CB C 10 32.490 31.329 1.161 1
1 6 . 12 1 1 A 11 11 GLY H H 11 8.463 8.164 0.299 1
1 7 . 12 1 1 A 11 11 GLY HA2 H 11 3.930 3.958 -0.028 1
1 8 . 12 1 1 A 11 11 GLY HA3 H 11 3.989 3.971 0.018 1
1 9 . 12 1 1 A 11 11 GLY C C 11 173.720 172.371 1.349 1
1 10 . 12 1 1 A 11 11 GLY CA C 11 45.450 44.440 1.010 1
1 11 . 12 1 1 A 11 11 GLY N N 11 110.200 108.194 2.006 1
1 12 . 12 1 1 A 12 12 ASP H H 12 8.174 8.753 -0.579 1
1 13 . 12 1 1 A 12 12 ASP HA H 12 4.656 4.974 -0.318 1
1 16 . 12 1 1 A 12 12 ASP C C 12 174.950 173.921 1.029 1
1 17 . 12 1 1 A 12 12 ASP CA C 12 54.140 53.059 1.081 1
1 18 . 12 1 1 A 12 12 ASP CB C 12 41.370 40.895 0.475 1
1 19 . 12 1 1 A 12 12 ASP N N 12 120.300 122.155 -1.855 1
1 20 . 12 1 1 A 13 13 ASP H H 13 8.405 8.466 -0.061 1
1 21 . 12 1 1 A 13 13 ASP HA H 13 4.630 5.276 -0.646 1
1 24 . 12 1 1 A 13 13 ASP C C 13 176.040 174.060 1.980 1
1 25 . 12 1 1 A 13 13 ASP CA C 13 53.910 53.435 0.475 1
1 26 . 12 1 1 A 13 13 ASP CB C 13 40.840 43.640 -2.800 1
1 27 . 12 1 1 A 13 13 ASP N N 13 121.700 120.975 0.725 1
1 28 . 12 1 1 A 14 14 SER H H 14 8.120 8.659 -0.539 1
1 29 . 12 1 1 A 14 14 SER HA H 14 4.570 4.962 -0.392 1
1 32 . 12 1 1 A 14 14 SER C C 14 173.350 172.787 0.563 1
1 33 . 12 1 1 A 14 14 SER CA C 14 59.250 58.013 1.237 1
1 34 . 12 1 1 A 14 14 SER CB C 14 64.956 65.851 -0.895 1
1 35 . 12 1 1 A 14 14 SER N N 14 114.400 114.632 -0.232 1
1 36 . 12 1 1 A 15 15 VAL H H 15 8.859 9.007 -0.148 1
1 37 . 12 1 1 A 15 15 VAL HA H 15 4.754 4.976 -0.222 1
1 45 . 12 1 1 A 15 15 VAL C C 15 174.290 174.347 -0.057 1
1 46 . 12 1 1 A 15 15 VAL CA C 15 59.546 60.760 -1.214 1
1 47 . 12 1 1 A 15 15 VAL CB C 15 34.830 33.114 1.716 1
1 50 . 12 1 1 A 15 15 VAL N N 15 118.659 120.650 -1.991 1
1 51 . 12 1 1 A 16 16 HIS H H 16 9.376 8.989 0.387 1
1 52 . 12 1 1 A 16 16 HIS HA H 16 5.030 4.786 0.244 1
1 56 . 12 1 1 A 16 16 HIS C C 16 173.700 174.501 -0.801 1
1 57 . 12 1 1 A 16 16 HIS CA C 16 54.914 55.374 -0.460 1
1 58 . 12 1 1 A 16 16 HIS CB C 16 30.300 28.134 2.166 1
1 60 . 12 1 1 A 16 16 HIS N N 16 126.974 126.796 0.178 1
1 61 . 12 1 1 A 17 17 LEU H H 17 8.888 8.812 0.076 1
1 62 . 12 1 1 A 17 17 LEU HA H 17 5.100 4.945 0.155 1
1 72 . 12 1 1 A 17 17 LEU C C 17 175.750 176.328 -0.578 1
1 73 . 12 1 1 A 17 17 LEU CA C 17 53.160 54.165 -1.005 1
1 74 . 12 1 1 A 17 17 LEU CB C 17 44.890 41.884 3.006 1
1 78 . 12 1 1 A 17 17 LEU N N 17 126.426 125.113 1.313 1
1 79 . 12 1 1 A 18 18 HIS H H 18 8.610 8.654 -0.044 1
1 80 . 12 1 1 A 18 18 HIS HA H 18 5.191 4.987 0.204 1
1 84 . 12 1 1 A 18 18 HIS C C 18 174.120 174.798 -0.678 1
1 85 . 12 1 1 A 18 18 HIS CA C 18 55.120 56.176 -1.056 1
1 86 . 12 1 1 A 18 18 HIS CB C 18 31.000 29.937 1.063 1
1 88 . 12 1 1 A 18 18 HIS N N 18 120.309 124.558 -4.249 1
1 89 . 12 1 1 A 19 19 ILE H H 19 9.050 8.935 0.115 1
1 90 . 12 1 1 A 19 19 ILE HA H 19 5.704 4.403 1.301 1
1 100 . 12 1 1 A 19 19 ILE C C 19 175.890 175.421 0.469 1
1 101 . 12 1 1 A 19 19 ILE CA C 19 60.250 62.924 -2.674 1
1 102 . 12 1 1 A 19 19 ILE CB C 19 40.500 37.615 2.885 1
1 106 . 12 1 1 A 19 19 ILE N N 19 123.672 125.547 -1.875 1
1 107 . 12 1 1 A 20 20 THR H H 20 9.224 9.495 -0.271 1
1 108 . 12 1 1 A 20 20 THR HA H 20 4.970 5.120 -0.150 1
1 110 . 12 1 1 A 20 20 THR C C 20 172.920 172.516 0.404 1
1 111 . 12 1 1 A 20 20 THR CA C 20 60.960 61.387 -0.427 1
1 112 . 12 1 1 A 20 20 THR CB C 20 71.732 71.646 0.086 1
1 114 . 12 1 1 A 20 20 THR N N 20 117.905 124.249 -6.344 1
1 115 . 12 1 1 A 21 21 HIS H H 21 9.755 8.667 1.088 1
1 116 . 12 1 1 A 21 21 HIS HA H 21 5.053 4.862 0.191 1
1 121 . 12 1 1 A 21 21 HIS C C 21 175.830 176.730 -0.900 1
1 122 . 12 1 1 A 21 21 HIS CA C 21 55.561 55.269 0.292 1
1 123 . 12 1 1 A 21 21 HIS CB C 21 36.450 31.957 4.493 1
1 126 . 12 1 1 A 21 21 HIS N N 21 122.170 125.790 -3.620 1
1 127 . 12 1 1 A 22 22 ALA H H 22 9.098 8.446 0.652 1
1 128 . 12 1 1 A 22 22 ALA HA H 22 4.116 4.098 0.018 1
1 132 . 12 1 1 A 22 22 ALA C C 22 178.340 179.450 -1.110 1
1 133 . 12 1 1 A 22 22 ALA CA C 22 54.670 55.033 -0.363 1
1 134 . 12 1 1 A 22 22 ALA CB C 22 20.870 17.842 3.028 1
1 135 . 12 1 1 A 22 22 ALA N N 22 128.332 128.599 -0.267 1
1 136 . 12 1 1 A 23 23 ASN H H 23 10.395 7.133 3.262 1
1 137 . 12 1 1 A 23 23 ASN HA H 23 5.066 4.442 0.624 1
1 142 . 12 1 1 A 23 23 ASN C C 23 175.090 175.419 -0.329 1
1 143 . 12 1 1 A 23 23 ASN CA C 23 53.649 55.371 -1.722 1
1 144 . 12 1 1 A 23 23 ASN CB C 23 41.160 38.758 2.402 1
1 145 . 12 1 1 A 23 23 ASN N N 23 116.400 116.794 -0.394 1
1 147 . 12 1 1 A 24 24 LEU H H 24 7.752 8.008 -0.256 1
1 148 . 12 1 1 A 24 24 LEU HA H 24 4.637 4.576 0.061 1
1 157 . 12 1 1 A 24 24 LEU C C 24 176.810 176.943 -0.133 1
1 158 . 12 1 1 A 24 24 LEU CA C 24 53.380 54.578 -1.198 1
1 159 . 12 1 1 A 24 24 LEU CB C 24 41.630 41.422 0.208 1
1 162 . 12 1 1 A 24 24 LEU N N 24 122.870 118.437 4.433 1
1 163 . 12 1 1 A 25 25 LYS H H 25 8.491 8.562 -0.071 1
1 164 . 12 1 1 A 25 25 LYS HA H 25 4.196 4.021 0.175 1
1 171 . 12 1 1 A 25 25 LYS C C 25 177.530 177.446 0.084 1
1 172 . 12 1 1 A 25 25 LYS CA C 25 59.270 59.528 -0.258 1
1 173 . 12 1 1 A 25 25 LYS CB C 25 32.300 32.285 0.015 1
1 177 . 12 1 1 A 25 25 LYS N N 25 124.310 127.406 -3.096 1
1 178 . 12 1 1 A 26 26 SER H H 26 8.512 7.926 0.586 1
1 179 . 12 1 1 A 26 26 SER HA H 26 4.513 4.801 -0.288 1
1 182 . 12 1 1 A 26 26 SER C C 26 174.090 173.113 0.977 1
1 183 . 12 1 1 A 26 26 SER CA C 26 58.200 56.931 1.269 1
1 184 . 12 1 1 A 26 26 SER CB C 26 63.487 63.817 -0.330 1
1 185 . 12 1 1 A 26 26 SER N N 26 111.482 114.297 -2.815 1
1 186 . 12 1 1 A 27 27 PHE H H 27 7.723 9.257 -1.534 1
1 187 . 12 1 1 A 27 27 PHE HA H 27 4.463 5.158 -0.695 1
1 194 . 12 1 1 A 27 27 PHE C C 27 175.270 174.166 1.104 1
1 195 . 12 1 1 A 27 27 PHE CA C 27 59.290 56.555 2.735 1
1 196 . 12 1 1 A 27 27 PHE CB C 27 40.440 40.731 -0.291 1
1 201 . 12 1 1 A 27 27 PHE N N 27 123.451 131.061 -7.610 1
1 202 . 12 1 1 A 28 28 SER H H 28 7.702 8.593 -0.891 1
1 203 . 12 1 1 A 28 28 SER HA H 28 4.630 4.696 -0.066 1
1 206 . 12 1 1 A 28 28 SER C C 28 172.060 173.075 -1.015 1
1 207 . 12 1 1 A 28 28 SER CA C 28 57.700 57.949 -0.249 1
1 208 . 12 1 1 A 28 28 SER CB C 28 64.600 61.374 3.226 1
1 209 . 12 1 1 A 28 28 SER N N 28 123.039 124.100 -1.061 1
1 210 . 12 1 1 A 29 29 ALA H H 29 8.154 7.889 0.265 1
1 211 . 12 1 1 A 29 29 ALA HA H 29 4.655 4.820 -0.165 1
1 215 . 12 1 1 A 29 29 ALA C C 29 174.090 175.778 -1.688 1
1 216 . 12 1 1 A 29 29 ALA CA C 29 51.300 51.645 -0.345 1
1 217 . 12 1 1 A 29 29 ALA CB C 29 22.900 19.765 3.135 1
1 218 . 12 1 1 A 29 29 ALA N N 29 124.700 127.046 -2.346 1
1 219 . 12 1 1 A 30 30 ASP H H 30 8.395 8.930 -0.535 1
1 220 . 12 1 1 A 30 30 ASP HA H 30 5.532 5.423 0.109 1
1 223 . 12 1 1 A 30 30 ASP C C 30 174.320 174.947 -0.627 1
1 224 . 12 1 1 A 30 30 ASP CA C 30 53.870 52.458 1.412 1
1 225 . 12 1 1 A 30 30 ASP CB C 30 44.420 42.658 1.762 1
1 226 . 12 1 1 A 30 30 ASP N N 30 117.900 121.736 -3.836 1
1 227 . 12 1 1 A 31 31 ALA H H 31 8.866 8.979 -0.113 1
1 228 . 12 1 1 A 31 31 ALA HA H 31 4.554 5.010 -0.456 1
1 232 . 12 1 1 A 31 31 ALA C C 31 174.240 175.257 -1.017 1
1 233 . 12 1 1 A 31 31 ALA CA C 31 51.710 50.530 1.180 1
1 234 . 12 1 1 A 31 31 ALA CB C 31 22.710 22.366 0.344 1
1 235 . 12 1 1 A 31 31 ALA N N 31 121.463 124.183 -2.720 1
1 236 . 12 1 1 A 32 32 ARG H H 32 8.056 8.487 -0.431 1
1 237 . 12 1 1 A 32 32 ARG HA H 32 5.232 4.450 0.782 1
1 244 . 12 1 1 A 32 32 ARG C C 32 175.610 175.389 0.221 1
1 245 . 12 1 1 A 32 32 ARG CA C 32 54.780 55.029 -0.249 1
1 246 . 12 1 1 A 32 32 ARG CB C 32 31.840 30.058 1.782 1
1 249 . 12 1 1 A 32 32 ARG N N 32 119.065 121.392 -2.327 1
1 250 . 12 1 1 A 33 33 PHE H H 33 8.787 8.802 -0.015 1
1 251 . 12 1 1 A 33 33 PHE HA H 33 4.900 4.770 0.130 1
1 258 . 12 1 1 A 33 33 PHE C C 33 175.050 175.257 -0.207 1
1 259 . 12 1 1 A 33 33 PHE CA C 33 55.790 57.996 -2.206 1
1 260 . 12 1 1 A 33 33 PHE CB C 33 43.300 40.697 2.603 1
1 265 . 12 1 1 A 33 33 PHE N N 33 119.356 125.346 -5.990 1
1 266 . 12 1 1 A 34 34 SER H H 34 8.361 9.076 -0.715 1
1 267 . 12 1 1 A 34 34 SER HA H 34 4.910 5.095 -0.185 1
1 268 . 12 1 1 A 34 34 SER CA C 34 55.270 55.897 -0.627 1
1 269 . 12 1 1 A 34 34 SER CB C 34 64.310 63.891 0.419 1
1 270 . 12 1 1 A 34 34 SER N N 34 118.000 115.085 2.915 1
1 271 . 12 1 1 A 35 35 PRO HA H 35 4.183 4.529 -0.346 1
1 278 . 12 1 1 A 35 35 PRO C C 35 176.460 177.119 -0.659 1
1 279 . 12 1 1 A 35 35 PRO CA C 35 64.120 64.017 0.103 1
1 280 . 12 1 1 A 35 35 PRO CB C 35 32.140 31.745 0.395 1
1 283 . 12 1 1 A 36 36 GLN H H 36 8.013 8.384 -0.371 1
1 284 . 12 1 1 A 36 36 GLN HA H 36 4.278 4.155 0.123 1
1 291 . 12 1 1 A 36 36 GLN C C 36 176.630 176.016 0.614 1
1 292 . 12 1 1 A 36 36 GLN CA C 36 56.600 57.662 -1.062 1
1 293 . 12 1 1 A 36 36 GLN CB C 36 29.380 29.409 -0.029 1
1 295 . 12 1 1 A 36 36 GLN N N 36 114.700 117.815 -3.115 1
1 297 . 12 1 1 A 37 37 MET H H 37 7.628 7.288 0.340 1
1 298 . 12 1 1 A 37 37 MET HA H 37 4.314 4.443 -0.129 1
1 303 . 12 1 1 A 37 37 MET C C 37 174.480 175.682 -1.202 1
1 304 . 12 1 1 A 37 37 MET CA C 37 56.260 55.669 0.591 1
1 305 . 12 1 1 A 37 37 MET CB C 37 34.890 33.801 1.089 1
1 307 . 12 1 1 A 37 37 MET N N 37 120.895 120.460 0.435 1
1 308 . 12 1 1 A 38 38 SER H H 38 8.740 9.123 -0.383 1
1 309 . 12 1 1 A 38 38 SER HA H 38 4.650 4.544 0.106 1
1 312 . 12 1 1 A 38 38 SER C C 38 175.320 175.533 -0.213 1
1 313 . 12 1 1 A 38 38 SER CA C 38 57.555 58.095 -0.540 1
1 314 . 12 1 1 A 38 38 SER CB C 38 64.800 64.588 0.212 1
1 315 . 12 1 1 A 38 38 SER N N 38 119.800 120.851 -1.051 1
1 316 . 12 1 1 A 39 39 VAL H H 39 8.619 8.221 0.398 1
1 317 . 12 1 1 A 39 39 VAL HA H 39 3.405 3.581 -0.176 1
1 325 . 12 1 1 A 39 39 VAL C C 39 177.950 177.871 0.079 1
1 326 . 12 1 1 A 39 39 VAL CA C 39 68.010 66.207 1.803 1
1 327 . 12 1 1 A 39 39 VAL CB C 39 31.830 31.394 0.436 1
1 330 . 12 1 1 A 39 39 VAL N N 39 122.324 124.124 -1.800 1
1 331 . 12 1 1 A 40 40 GLU H H 40 8.737 8.305 0.432 1
1 332 . 12 1 1 A 40 40 GLU HA H 40 3.743 3.867 -0.124 1
1 337 . 12 1 1 A 40 40 GLU C C 40 177.450 178.373 -0.923 1
1 338 . 12 1 1 A 40 40 GLU CA C 40 60.570 59.438 1.132 1
1 339 . 12 1 1 A 40 40 GLU CB C 40 30.000 29.270 0.730 1
1 341 . 12 1 1 A 40 40 GLU N N 40 120.358 120.641 -0.283 1
1 342 . 12 1 1 A 41 41 ALA H H 41 8.056 7.593 0.463 1
1 343 . 12 1 1 A 41 41 ALA HA H 41 4.275 4.070 0.205 1
1 347 . 12 1 1 A 41 41 ALA C C 41 181.560 180.008 1.552 1
1 348 . 12 1 1 A 41 41 ALA CA C 41 55.080 55.099 -0.019 1
1 349 . 12 1 1 A 41 41 ALA CB C 41 18.570 18.306 0.264 1
1 350 . 12 1 1 A 41 41 ALA N N 41 123.045 121.843 1.202 1
1 351 . 12 1 1 A 42 42 VAL H H 42 8.519 8.027 0.492 1
1 352 . 12 1 1 A 42 42 VAL HA H 42 3.456 3.805 -0.349 1
1 360 . 12 1 1 A 42 42 VAL C C 42 177.950 177.754 0.196 1
1 361 . 12 1 1 A 42 42 VAL CA C 42 67.440 64.788 2.652 1
1 362 . 12 1 1 A 42 42 VAL CB C 42 31.370 31.189 0.181 1
1 365 . 12 1 1 A 42 42 VAL N N 42 122.576 117.239 5.337 1
1 366 . 12 1 1 A 43 43 LYS H H 43 8.660 7.541 1.119 1
1 367 . 12 1 1 A 43 43 LYS HA H 43 3.905 3.827 0.078 1
1 374 . 12 1 1 A 43 43 LYS C C 43 178.490 178.909 -0.419 1
1 375 . 12 1 1 A 43 43 LYS CA C 43 61.080 60.467 0.613 1
1 376 . 12 1 1 A 43 43 LYS CB C 43 33.450 32.395 1.055 1
1 380 . 12 1 1 A 43 43 LYS N N 43 118.752 122.620 -3.868 1
1 381 . 12 1 1 A 44 44 GLU H H 44 8.109 7.874 0.235 1
1 382 . 12 1 1 A 44 44 GLU HA H 44 4.100 4.167 -0.067 1
1 387 . 12 1 1 A 44 44 GLU C C 44 178.760 179.206 -0.446 1
1 388 . 12 1 1 A 44 44 GLU CA C 44 60.560 59.541 1.019 1
1 389 . 12 1 1 A 44 44 GLU CB C 44 29.700 29.252 0.448 1
1 391 . 12 1 1 A 44 44 GLU N N 44 118.904 119.749 -0.845 1
1 392 . 12 1 1 A 45 45 LYS H H 45 7.868 7.855 0.013 1
1 393 . 12 1 1 A 45 45 LYS HA H 45 4.147 4.246 -0.099 1
1 400 . 12 1 1 A 45 45 LYS C C 45 180.020 179.190 0.830 1
1 401 . 12 1 1 A 45 45 LYS CA C 45 59.210 58.967 0.243 1
1 402 . 12 1 1 A 45 45 LYS CB C 45 32.540 31.893 0.647 1
1 406 . 12 1 1 A 45 45 LYS N N 45 118.353 120.031 -1.678 1
1 407 . 12 1 1 A 46 46 LEU H H 46 8.538 8.322 0.216 1
1 408 . 12 1 1 A 46 46 LEU HA H 46 4.147 4.076 0.071 1
1 418 . 12 1 1 A 46 46 LEU C C 46 179.950 179.243 0.707 1
1 419 . 12 1 1 A 46 46 LEU CA C 46 57.900 57.850 0.050 1
1 420 . 12 1 1 A 46 46 LEU CB C 46 40.800 41.800 -1.000 1
1 424 . 12 1 1 A 46 46 LEU N N 46 118.568 118.588 -0.020 1
1 425 . 12 1 1 A 47 47 TRP H H 47 9.308 8.433 0.875 1
1 426 . 12 1 1 A 47 47 TRP HA H 47 4.636 4.138 0.498 1
1 435 . 12 1 1 A 47 47 TRP C C 47 179.040 178.087 0.953 1
1 436 . 12 1 1 A 47 47 TRP CA C 47 60.312 60.541 -0.229 1
1 437 . 12 1 1 A 47 47 TRP CB C 47 28.080 29.672 -1.592 1
1 443 . 12 1 1 A 47 47 TRP N N 47 127.808 120.282 7.526 1
1 445 . 12 1 1 A 48 48 LYS H H 48 7.362 7.526 -0.164 1
1 446 . 12 1 1 A 48 48 LYS HA H 48 3.238 3.927 -0.689 1
1 453 . 12 1 1 A 48 48 LYS C C 48 177.660 178.902 -1.242 1
1 454 . 12 1 1 A 48 48 LYS CA C 48 58.360 58.537 -0.177 1
1 455 . 12 1 1 A 48 48 LYS CB C 48 32.090 32.788 -0.698 1
1 459 . 12 1 1 A 48 48 LYS N N 48 118.583 119.100 -0.517 1
1 460 . 12 1 1 A 49 49 LYS H H 49 7.339 8.204 -0.865 1
1 461 . 12 1 1 A 49 49 LYS HA H 49 4.388 4.067 0.321 1
1 468 . 12 1 1 A 49 49 LYS C C 49 177.120 178.601 -1.481 1
1 469 . 12 1 1 A 49 49 LYS CA C 49 57.469 59.391 -1.922 1
1 470 . 12 1 1 A 49 49 LYS CB C 49 33.990 32.469 1.521 1
1 474 . 12 1 1 A 49 49 LYS N N 49 114.530 120.473 -5.943 1
1 475 . 12 1 1 A 50 50 CYS H H 50 8.092 8.026 0.066 1
1 476 . 12 1 1 A 50 50 CYS HA H 50 4.880 4.499 0.381 1
1 479 . 12 1 1 A 50 50 CYS C C 50 174.560 175.380 -0.820 1
1 480 . 12 1 1 A 50 50 CYS CA C 50 57.213 59.594 -2.381 1
1 481 . 12 1 1 A 50 50 CYS CB C 50 31.470 28.844 2.626 1
1 482 . 12 1 1 A 50 50 CYS N N 50 110.536 115.620 -5.084 1
1 483 . 12 1 1 A 51 51 GLY H H 51 8.644 8.052 0.592 1
1 484 . 12 1 1 A 51 51 GLY HA2 H 51 4.248 3.849 0.399 1
1 485 . 12 1 1 A 51 51 GLY HA3 H 51 3.650 3.921 -0.271 1
1 486 . 12 1 1 A 51 51 GLY C C 51 173.800 174.110 -0.310 1
1 487 . 12 1 1 A 51 51 GLY CA C 51 46.390 46.260 0.130 1
1 488 . 12 1 1 A 51 51 GLY N N 51 113.666 110.067 3.599 1
1 489 . 12 1 1 A 52 52 THR H H 52 7.781 7.796 -0.015 1
1 490 . 12 1 1 A 52 52 THR HA H 52 4.277 4.798 -0.521 1
1 495 . 12 1 1 A 52 52 THR C C 52 172.080 173.402 -1.322 1
1 496 . 12 1 1 A 52 52 THR CA C 52 63.630 60.998 2.632 1
1 497 . 12 1 1 A 52 52 THR CB C 52 69.720 71.649 -1.929 1
1 499 . 12 1 1 A 52 52 THR N N 52 121.643 115.203 6.440 1
1 500 . 12 1 1 A 53 53 SER H H 53 8.606 8.815 -0.209 1
1 501 . 12 1 1 A 53 53 SER HA H 53 3.775 4.461 -0.686 1
1 504 . 12 1 1 A 53 53 SER C C 53 175.890 176.160 -0.270 1
1 505 . 12 1 1 A 53 53 SER CA C 53 58.590 59.370 -0.780 1
1 506 . 12 1 1 A 53 53 SER CB C 53 63.620 63.594 0.026 1
1 507 . 12 1 1 A 53 53 SER N N 53 120.903 120.926 -0.023 1
1 508 . 12 1 1 A 54 54 VAL H H 54 7.895 8.680 -0.785 1
1 509 . 12 1 1 A 54 54 VAL HA H 54 3.563 4.062 -0.499 1
1 517 . 12 1 1 A 54 54 VAL C C 54 178.260 176.444 1.816 1
1 518 . 12 1 1 A 54 54 VAL CA C 54 66.600 63.146 3.454 1
1 519 . 12 1 1 A 54 54 VAL CB C 54 31.630 31.675 -0.045 1
1 522 . 12 1 1 A 54 54 VAL N N 54 121.121 122.903 -1.782 1
1 523 . 12 1 1 A 55 55 ASN H H 55 8.148 7.960 0.188 1
1 524 . 12 1 1 A 55 55 ASN HA H 55 4.496 4.751 -0.255 1
1 529 . 12 1 1 A 55 55 ASN C C 55 175.640 176.071 -0.431 1
1 530 . 12 1 1 A 55 55 ASN CA C 55 54.875 52.594 2.281 1
1 531 . 12 1 1 A 55 55 ASN CB C 55 38.120 38.130 -0.010 1
1 532 . 12 1 1 A 55 55 ASN N N 55 115.018 120.629 -5.611 1
1 534 . 12 1 1 A 56 56 SER H H 56 7.559 7.852 -0.293 1
1 535 . 12 1 1 A 56 56 SER HA H 56 4.585 4.668 -0.083 1
1 538 . 12 1 1 A 56 56 SER C C 56 171.180 173.156 -1.976 1
1 539 . 12 1 1 A 56 56 SER CA C 56 57.260 58.000 -0.740 1
1 540 . 12 1 1 A 56 56 SER CB C 56 64.260 64.861 -0.601 1
1 541 . 12 1 1 A 56 56 SER N N 56 114.545 115.774 -1.229 1
1 542 . 12 1 1 A 57 57 MET H H 57 7.177 7.302 -0.125 1
1 543 . 12 1 1 A 57 57 MET HA H 57 4.785 5.070 -0.285 1
1 548 . 12 1 1 A 57 57 MET C C 57 175.400 174.764 0.636 1
1 549 . 12 1 1 A 57 57 MET CA C 57 55.631 55.050 0.581 1
1 550 . 12 1 1 A 57 57 MET CB C 57 36.740 34.114 2.626 1
1 552 . 12 1 1 A 57 57 MET N N 57 120.883 120.706 0.177 1
1 553 . 12 1 1 A 58 58 ALA H H 58 9.226 8.784 0.442 1
1 554 . 12 1 1 A 58 58 ALA HA H 58 4.723 4.857 -0.134 1
1 558 . 12 1 1 A 58 58 ALA C C 58 175.360 176.908 -1.548 1
1 559 . 12 1 1 A 58 58 ALA CA C 58 50.327 51.102 -0.775 1
1 560 . 12 1 1 A 58 58 ALA CB C 58 21.580 20.279 1.301 1
1 561 . 12 1 1 A 58 58 ALA N N 58 129.559 129.845 -0.286 1
1 562 . 12 1 1 A 59 59 LEU H H 59 8.307 8.891 -0.584 1
1 563 . 12 1 1 A 59 59 LEU HA H 59 5.393 4.708 0.685 1
1 573 . 12 1 1 A 59 59 LEU C C 59 175.470 175.461 0.009 1
1 574 . 12 1 1 A 59 59 LEU CA C 59 52.970 53.784 -0.814 1
1 575 . 12 1 1 A 59 59 LEU CB C 59 47.410 42.019 5.391 1
1 579 . 12 1 1 A 59 59 LEU N N 59 118.793 122.692 -3.899 1
1 580 . 12 1 1 A 60 60 GLU H H 60 8.978 9.125 -0.147 1
1 581 . 12 1 1 A 60 60 GLU HA H 60 4.789 4.604 0.185 1
1 586 . 12 1 1 A 60 60 GLU C C 60 173.670 175.051 -1.381 1
1 587 . 12 1 1 A 60 60 GLU CA C 60 54.246 55.911 -1.665 1
1 588 . 12 1 1 A 60 60 GLU CB C 60 35.470 30.257 5.213 1
1 590 . 12 1 1 A 60 60 GLU N N 60 121.100 124.465 -3.365 1
1 591 . 12 1 1 A 61 61 LEU H H 61 8.651 8.762 -0.111 1
1 592 . 12 1 1 A 61 61 LEU HA H 61 5.541 4.853 0.688 1
1 602 . 12 1 1 A 61 61 LEU C C 61 174.270 174.346 -0.076 1
1 603 . 12 1 1 A 61 61 LEU CA C 61 53.120 53.852 -0.732 1
1 604 . 12 1 1 A 61 61 LEU CB C 61 46.890 43.051 3.839 1
1 608 . 12 1 1 A 61 61 LEU N N 61 122.689 127.996 -5.307 1
1 609 . 12 1 1 A 62 62 TYR H H 62 10.028 9.633 0.395 1
1 610 . 12 1 1 A 62 62 TYR HA H 62 5.096 4.995 0.101 1
1 617 . 12 1 1 A 62 62 TYR C C 62 175.180 175.531 -0.351 1
1 618 . 12 1 1 A 62 62 TYR CA C 62 56.520 57.893 -1.373 1
1 619 . 12 1 1 A 62 62 TYR CB C 62 42.520 39.279 3.241 1
1 624 . 12 1 1 A 62 62 TYR N N 62 126.875 127.777 -0.902 1
1 625 . 12 1 1 A 63 63 ASP H H 63 8.573 8.312 0.261 1
1 626 . 12 1 1 A 63 63 ASP HA H 63 2.824 5.003 -2.179 1
1 629 . 12 1 1 A 63 63 ASP C C 63 176.470 175.617 0.853 1
1 630 . 12 1 1 A 63 63 ASP CA C 63 51.490 53.050 -1.560 1
1 631 . 12 1 1 A 63 63 ASP CB C 63 41.490 42.257 -0.767 1
1 632 . 12 1 1 A 63 63 ASP N N 63 118.563 125.603 -7.040 1
1 633 . 12 1 1 A 64 64 ASP H H 64 8.319 8.940 -0.621 1
1 634 . 12 1 1 A 64 64 ASP HA H 64 4.396 4.682 -0.286 1
1 637 . 12 1 1 A 64 64 ASP C C 64 176.670 177.073 -0.403 1
1 638 . 12 1 1 A 64 64 ASP CA C 64 55.270 53.733 1.537 1
1 639 . 12 1 1 A 64 64 ASP CB C 64 39.540 41.133 -1.593 1
1 640 . 12 1 1 A 64 64 ASP N N 64 114.728 124.279 -9.551 1
1 641 . 12 1 1 A 65 65 SER H H 65 8.305 7.508 0.797 1
1 642 . 12 1 1 A 65 65 SER HA H 65 4.640 4.358 0.282 1
1 645 . 12 1 1 A 65 65 SER C C 65 174.700 176.020 -1.320 1
1 646 . 12 1 1 A 65 65 SER CA C 65 58.550 60.868 -2.318 1
1 647 . 12 1 1 A 65 65 SER CB C 65 64.393 63.146 1.247 1
1 648 . 12 1 1 A 65 65 SER N N 65 115.837 113.864 1.973 1
1 649 . 12 1 1 A 66 66 GLY H H 66 7.876 8.522 -0.646 1
1 650 . 12 1 1 A 66 66 GLY HA2 H 66 4.284 4.027 0.257 1
1 651 . 12 1 1 A 66 66 GLY HA3 H 66 3.679 4.046 -0.367 1
1 652 . 12 1 1 A 66 66 GLY C C 66 174.550 175.155 -0.605 1
1 653 . 12 1 1 A 66 66 GLY CA C 66 45.570 45.614 -0.044 1
1 654 . 12 1 1 A 66 66 GLY N N 66 109.151 108.413 0.738 1
1 655 . 12 1 1 A 67 67 SER H H 67 8.416 8.054 0.362 1
1 656 . 12 1 1 A 67 67 SER HA H 67 4.583 4.720 -0.137 1
1 659 . 12 1 1 A 67 67 SER C C 67 173.680 174.279 -0.599 1
1 660 . 12 1 1 A 67 67 SER CA C 67 58.070 59.197 -1.127 1
1 661 . 12 1 1 A 67 67 SER CB C 67 63.300 65.870 -2.570 1
1 662 . 12 1 1 A 67 67 SER N N 67 119.156 112.852 6.304 1
1 663 . 12 1 1 A 68 68 LYS H H 68 8.880 7.991 0.889 1
1 664 . 12 1 1 A 68 68 LYS HA H 68 3.233 5.078 -1.845 1
1 671 . 12 1 1 A 68 68 LYS C C 68 176.440 174.790 1.650 1
1 672 . 12 1 1 A 68 68 LYS CA C 68 57.920 55.375 2.545 1
1 673 . 12 1 1 A 68 68 LYS CB C 68 31.822 35.938 -4.116 1
1 677 . 12 1 1 A 68 68 LYS N N 68 128.005 119.901 8.104 1
1 678 . 12 1 1 A 69 69 VAL H H 69 9.215 8.717 0.498 1
1 679 . 12 1 1 A 69 69 VAL HA H 69 4.185 5.019 -0.834 1
1 687 . 12 1 1 A 69 69 VAL C C 69 176.170 174.446 1.724 1
1 688 . 12 1 1 A 69 69 VAL CA C 69 62.860 60.111 2.749 1
1 689 . 12 1 1 A 69 69 VAL CB C 69 33.660 35.968 -2.308 1
1 692 . 12 1 1 A 69 69 VAL N N 69 126.574 120.202 6.372 1
1 693 . 12 1 1 A 70 70 ALA H H 70 7.647 8.292 -0.645 1
1 694 . 12 1 1 A 70 70 ALA HA H 70 4.614 4.685 -0.071 1
1 698 . 12 1 1 A 70 70 ALA C C 70 175.170 177.083 -1.913 1
1 699 . 12 1 1 A 70 70 ALA CA C 70 52.400 52.265 0.135 1
1 700 . 12 1 1 A 70 70 ALA CB C 70 23.350 20.763 2.587 1
1 701 . 12 1 1 A 70 70 ALA N N 70 118.268 123.307 -5.039 1
1 702 . 12 1 1 A 71 71 VAL H H 71 8.428 8.428 0.000 1
1 703 . 12 1 1 A 71 71 VAL HA H 71 4.216 3.724 0.492 1
1 711 . 12 1 1 A 71 71 VAL C C 71 175.810 176.134 -0.324 1
1 712 . 12 1 1 A 71 71 VAL CA C 71 62.380 66.670 -4.290 1
1 713 . 12 1 1 A 71 71 VAL CB C 71 33.120 31.820 1.300 1
1 716 . 12 1 1 A 71 71 VAL N N 71 119.624 122.854 -3.230 1
1 717 . 12 1 1 A 72 72 LEU H H 72 8.333 7.859 0.474 1
1 718 . 12 1 1 A 72 72 LEU HA H 72 3.882 3.839 0.043 1
1 728 . 12 1 1 A 72 72 LEU C C 72 176.580 176.594 -0.014 1
1 729 . 12 1 1 A 72 72 LEU CA C 72 54.600 56.181 -1.581 1
1 730 . 12 1 1 A 72 72 LEU CB C 72 37.880 42.034 -4.154 1
1 734 . 12 1 1 A 72 72 LEU N N 72 130.241 122.735 7.506 1
1 735 . 12 1 1 A 73 73 SER H H 73 7.865 7.935 -0.070 1
1 736 . 12 1 1 A 73 73 SER HA H 73 4.304 4.346 -0.042 1
1 739 . 12 1 1 A 73 73 SER C C 73 173.470 175.516 -2.046 1
1 740 . 12 1 1 A 73 73 SER CA C 73 59.400 59.884 -0.484 1
1 741 . 12 1 1 A 73 73 SER CB C 73 64.230 63.581 0.649 1
1 742 . 12 1 1 A 73 73 SER N N 73 116.577 115.683 0.894 1
1 743 . 12 1 1 A 74 74 ASP H H 74 7.553 8.361 -0.808 1
1 744 . 12 1 1 A 74 74 ASP HA H 74 4.858 4.447 0.411 1
1 747 . 12 1 1 A 74 74 ASP C C 74 175.910 177.969 -2.059 1
1 748 . 12 1 1 A 74 74 ASP CA C 74 53.057 54.959 -1.902 1
1 749 . 12 1 1 A 74 74 ASP CB C 74 41.720 40.035 1.685 1
1 750 . 12 1 1 A 74 74 ASP N N 74 120.482 118.446 2.036 1
1 751 . 12 1 1 A 75 75 ASP H H 75 8.601 8.748 -0.147 1
1 752 . 12 1 1 A 75 75 ASP HA H 75 4.375 4.290 0.085 1
1 755 . 12 1 1 A 75 75 ASP C C 75 176.590 177.354 -0.764 1
1 756 . 12 1 1 A 75 75 ASP CA C 75 56.760 56.326 0.434 1
1 757 . 12 1 1 A 75 75 ASP CB C 75 41.310 39.566 1.744 1
1 758 . 12 1 1 A 75 75 ASP N N 75 125.434 121.640 3.794 1
1 759 . 12 1 1 A 76 76 SER H H 76 8.558 7.813 0.745 1
1 760 . 12 1 1 A 76 76 SER HA H 76 4.463 4.586 -0.123 1
1 763 . 12 1 1 A 76 76 SER C C 76 175.630 173.846 1.784 1
1 764 . 12 1 1 A 76 76 SER CA C 76 59.320 58.373 0.947 1
1 765 . 12 1 1 A 76 76 SER CB C 76 64.255 63.693 0.562 1
1 766 . 12 1 1 A 76 76 SER N N 76 112.502 112.547 -0.045 1
1 767 . 12 1 1 A 77 77 ARG H H 77 7.381 7.450 -0.069 1
1 768 . 12 1 1 A 77 77 ARG HA H 77 4.318 4.668 -0.350 1
1 775 . 12 1 1 A 77 77 ARG CA C 77 53.260 52.930 0.330 1
1 776 . 12 1 1 A 77 77 ARG CB C 77 30.880 31.251 -0.371 1
1 779 . 12 1 1 A 77 77 ARG N N 77 123.368 119.399 3.969 1
1 780 . 12 1 1 A 78 78 PRO HA H 78 4.697 4.771 -0.074 1
1 787 . 12 1 1 A 78 78 PRO C C 78 178.090 178.010 0.080 1
1 788 . 12 1 1 A 78 78 PRO CA C 78 61.970 62.970 -1.000 1
1 789 . 12 1 1 A 78 78 PRO CB C 78 31.380 32.529 -1.149 1
1 792 . 12 1 1 A 79 79 LEU H H 79 9.260 9.144 0.116 1
1 793 . 12 1 1 A 79 79 LEU HA H 79 4.099 4.148 -0.049 1
1 803 . 12 1 1 A 79 79 LEU C C 79 178.680 179.261 -0.581 1
1 804 . 12 1 1 A 79 79 LEU CA C 79 58.290 57.603 0.687 1
1 805 . 12 1 1 A 79 79 LEU CB C 79 42.160 41.902 0.258 1
1 809 . 12 1 1 A 79 79 LEU N N 79 124.739 125.486 -0.747 1
1 810 . 12 1 1 A 80 80 GLY H H 80 9.611 7.915 1.696 1
1 811 . 12 1 1 A 80 80 GLY HA2 H 80 4.003 3.894 0.109 1
1 812 . 12 1 1 A 80 80 GLY HA3 H 80 3.683 3.930 -0.247 1
1 813 . 12 1 1 A 80 80 GLY C C 80 175.850 175.605 0.245 1
1 814 . 12 1 1 A 80 80 GLY CA C 80 46.830 46.332 0.498 1
1 815 . 12 1 1 A 80 80 GLY N N 80 102.276 106.626 -4.350 1
1 816 . 12 1 1 A 81 81 PHE H H 81 8.177 8.353 -0.176 1
1 817 . 12 1 1 A 81 81 PHE HA H 81 4.090 4.105 -0.015 1
1 822 . 12 1 1 A 81 81 PHE C C 81 175.810 177.651 -1.841 1
1 823 . 12 1 1 A 81 81 PHE CA C 81 60.560 60.809 -0.249 1
1 824 . 12 1 1 A 81 81 PHE CB C 81 39.640 39.108 0.532 1
1 827 . 12 1 1 A 81 81 PHE N N 81 123.413 122.440 0.973 1
1 828 . 12 1 1 A 82 82 PHE H H 82 7.733 8.150 -0.417 1
1 829 . 12 1 1 A 82 82 PHE HA H 82 4.171 4.072 0.099 1
1 834 . 12 1 1 A 82 82 PHE C C 82 172.960 175.243 -2.283 1
1 835 . 12 1 1 A 82 82 PHE CA C 82 57.730 61.060 -3.330 1
1 836 . 12 1 1 A 82 82 PHE CB C 82 38.670 39.430 -0.760 1
1 839 . 12 1 1 A 82 82 PHE N N 82 114.781 120.111 -5.330 1
1 840 . 12 1 1 A 83 83 SER H H 83 7.541 8.451 -0.910 1
1 841 . 12 1 1 A 83 83 SER HA H 83 3.898 3.949 -0.051 1
1 844 . 12 1 1 A 83 83 SER CA C 83 57.980 58.810 -0.830 1
1 845 . 12 1 1 A 83 83 SER CB C 83 61.882 61.358 0.524 1
1 846 . 12 1 1 A 83 83 SER N N 83 108.622 114.085 -5.463 1
1 847 . 12 1 1 A 85 85 PHE HA H 85 4.447 5.031 -0.584 1
1 854 . 12 1 1 A 85 85 PHE C C 85 173.640 177.090 -3.450 1
1 855 . 12 1 1 A 85 85 PHE CA C 85 55.600 57.482 -1.882 1
1 856 . 12 1 1 A 85 85 PHE CB C 85 42.180 40.594 1.586 1
1 861 . 12 1 1 A 86 86 ASP H H 86 8.469 9.278 -0.809 1
1 862 . 12 1 1 A 86 86 ASP HA H 86 4.934 4.765 0.169 1
1 865 . 12 1 1 A 86 86 ASP C C 86 177.910 177.085 0.825 1
1 866 . 12 1 1 A 86 86 ASP CA C 86 55.927 56.352 -0.425 1
1 867 . 12 1 1 A 86 86 ASP CB C 86 41.109 39.969 1.140 1
1 868 . 12 1 1 A 86 86 ASP N N 86 119.276 120.916 -1.640 1
1 869 . 12 1 1 A 87 87 GLY H H 87 9.163 8.459 0.704 1
1 870 . 12 1 1 A 87 87 GLY HA2 H 87 4.570 3.872 0.698 1
1 871 . 12 1 1 A 87 87 GLY HA3 H 87 3.701 3.959 -0.258 1
1 872 . 12 1 1 A 87 87 GLY C C 87 175.180 173.882 1.298 1
1 873 . 12 1 1 A 87 87 GLY CA C 87 45.540 45.354 0.186 1
1 874 . 12 1 1 A 87 87 GLY N N 87 109.579 107.851 1.728 1
1 875 . 12 1 1 A 88 88 PHE H H 88 8.270 7.836 0.434 1
1 876 . 12 1 1 A 88 88 PHE HA H 88 4.653 5.365 -0.712 1
1 883 . 12 1 1 A 88 88 PHE C C 88 172.620 175.784 -3.164 1
1 884 . 12 1 1 A 88 88 PHE CA C 88 57.570 57.642 -0.072 1
1 885 . 12 1 1 A 88 88 PHE CB C 88 38.750 41.375 -2.625 1
1 890 . 12 1 1 A 88 88 PHE N N 88 121.300 119.859 1.441 1
1 891 . 12 1 1 A 89 89 ARG H H 89 9.056 9.121 -0.065 1
1 892 . 12 1 1 A 89 89 ARG HA H 89 5.652 5.506 0.146 1
1 899 . 12 1 1 A 89 89 ARG C C 89 174.990 175.028 -0.038 1
1 900 . 12 1 1 A 89 89 ARG CA C 89 54.067 54.500 -0.433 1
1 901 . 12 1 1 A 89 89 ARG CB C 89 35.630 34.485 1.145 1
1 904 . 12 1 1 A 89 89 ARG N N 89 120.200 119.747 0.453 1
1 905 . 12 1 1 A 90 90 LEU H H 90 9.487 10.009 -0.522 1
1 906 . 12 1 1 A 90 90 LEU HA H 90 5.244 4.877 0.367 1
1 916 . 12 1 1 A 90 90 LEU C C 90 173.050 175.096 -2.046 1
1 917 . 12 1 1 A 90 90 LEU CA C 90 53.250 53.701 -0.451 1
1 918 . 12 1 1 A 90 90 LEU CB C 90 44.870 42.644 2.226 1
1 922 . 12 1 1 A 90 90 LEU N N 90 128.373 124.009 4.364 1
1 923 . 12 1 1 A 91 91 HIS H H 91 9.474 9.557 -0.083 1
1 924 . 12 1 1 A 91 91 HIS HA H 91 5.357 5.253 0.104 1
1 929 . 12 1 1 A 91 91 HIS C C 91 173.870 173.347 0.523 1
1 930 . 12 1 1 A 91 91 HIS CA C 91 54.320 54.221 0.099 1
1 931 . 12 1 1 A 91 91 HIS CB C 91 36.070 30.761 5.309 1
1 934 . 12 1 1 A 91 91 HIS N N 91 125.565 125.020 0.545 1
1 935 . 12 1 1 A 92 92 ILE H H 92 8.341 9.202 -0.861 1
1 936 . 12 1 1 A 92 92 ILE HA H 92 4.045 4.293 -0.248 1
1 946 . 12 1 1 A 92 92 ILE C C 92 173.350 175.374 -2.024 1
1 947 . 12 1 1 A 92 92 ILE CA C 92 61.380 60.718 0.662 1
1 948 . 12 1 1 A 92 92 ILE CB C 92 40.040 37.494 2.546 1
1 952 . 12 1 1 A 92 92 ILE N N 92 126.939 129.057 -2.118 1
1 953 . 12 1 1 A 93 93 ILE H H 93 8.754 8.838 -0.084 1
1 954 . 12 1 1 A 93 93 ILE HA H 93 3.744 3.967 -0.223 1
1 964 . 12 1 1 A 93 93 ILE C C 93 174.450 175.028 -0.578 1
1 965 . 12 1 1 A 93 93 ILE CA C 93 60.480 61.737 -1.257 1
1 966 . 12 1 1 A 93 93 ILE CB C 93 41.250 37.565 3.685 1
1 970 . 12 1 1 A 93 93 ILE N N 93 126.486 128.845 -2.359 1
1 971 . 12 1 1 A 94 94 ASP H H 94 7.976 8.567 -0.591 1
1 972 . 12 1 1 A 94 94 ASP HA H 94 4.881 4.899 -0.018 1
1 975 . 12 1 1 A 94 94 ASP C C 94 176.710 175.384 1.326 1
1 976 . 12 1 1 A 94 94 ASP CA C 94 52.170 53.687 -1.517 1
1 977 . 12 1 1 A 94 94 ASP CB C 94 42.000 41.806 0.194 1
1 978 . 12 1 1 A 94 94 ASP N N 94 124.752 127.805 -3.053 1
1 979 . 12 1 1 A 95 95 LEU H H 95 9.218 8.369 0.849 1
1 980 . 12 1 1 A 95 95 LEU HA H 95 4.111 4.819 -0.708 1
1 990 . 12 1 1 A 95 95 LEU C C 95 177.230 175.161 2.069 1
1 991 . 12 1 1 A 95 95 LEU CA C 95 55.553 53.725 1.828 1
1 992 . 12 1 1 A 95 95 LEU CB C 95 42.380 42.593 -0.213 1
1 996 . 12 1 1 A 95 95 LEU N N 95 126.286 125.523 0.763 1
1 997 . 12 1 1 A 96 96 ASP H H 96 8.762 8.544 0.218 1
1 998 . 12 1 1 A 96 96 ASP HA H 96 4.946 4.989 -0.043 1
1 1001 . 12 1 1 A 96 96 ASP CA C 96 52.598 50.907 1.691 1
1 1002 . 12 1 1 A 96 96 ASP CB C 96 41.400 42.210 -0.810 1
1 1 . 13 1 1 A 10 10 HIS HA H 10 4.439 4.796 -0.357 1
1 4 . 13 1 1 A 10 10 HIS CA C 10 55.740 55.418 0.322 1
1 5 . 13 1 1 A 10 10 HIS CB C 10 32.490 29.925 2.565 1
1 6 . 13 1 1 A 11 11 GLY H H 11 8.463 8.195 0.268 1
1 7 . 13 1 1 A 11 11 GLY HA2 H 11 3.930 3.774 0.156 1
1 8 . 13 1 1 A 11 11 GLY HA3 H 11 3.989 3.789 0.200 1
1 9 . 13 1 1 A 11 11 GLY C C 11 173.720 172.897 0.823 1
1 10 . 13 1 1 A 11 11 GLY CA C 11 45.450 47.234 -1.784 1
1 11 . 13 1 1 A 11 11 GLY N N 11 110.200 108.387 1.813 1
1 12 . 13 1 1 A 12 12 ASP H H 12 8.174 8.708 -0.534 1
1 13 . 13 1 1 A 12 12 ASP HA H 12 4.656 5.071 -0.415 1
1 16 . 13 1 1 A 12 12 ASP C C 12 174.950 174.658 0.292 1
1 17 . 13 1 1 A 12 12 ASP CA C 12 54.140 53.081 1.059 1
1 18 . 13 1 1 A 12 12 ASP CB C 12 41.370 41.232 0.138 1
1 19 . 13 1 1 A 12 12 ASP N N 12 120.300 123.568 -3.268 1
1 20 . 13 1 1 A 13 13 ASP H H 13 8.405 8.737 -0.332 1
1 21 . 13 1 1 A 13 13 ASP HA H 13 4.630 4.775 -0.145 1
1 24 . 13 1 1 A 13 13 ASP C C 13 176.040 174.815 1.225 1
1 25 . 13 1 1 A 13 13 ASP CA C 13 53.910 53.120 0.790 1
1 26 . 13 1 1 A 13 13 ASP CB C 13 40.840 44.105 -3.265 1
1 27 . 13 1 1 A 13 13 ASP N N 13 121.700 124.744 -3.044 1
1 28 . 13 1 1 A 14 14 SER H H 14 8.120 8.669 -0.549 1
1 29 . 13 1 1 A 14 14 SER HA H 14 4.570 4.263 0.307 1
1 32 . 13 1 1 A 14 14 SER C C 14 173.350 173.864 -0.514 1
1 33 . 13 1 1 A 14 14 SER CA C 14 59.250 60.626 -1.376 1
1 34 . 13 1 1 A 14 14 SER CB C 14 64.956 61.926 3.030 1
1 35 . 13 1 1 A 14 14 SER N N 14 114.400 115.817 -1.417 1
1 36 . 13 1 1 A 15 15 VAL H H 15 8.859 8.477 0.382 1
1 37 . 13 1 1 A 15 15 VAL HA H 15 4.754 4.882 -0.128 1
1 45 . 13 1 1 A 15 15 VAL C C 15 174.290 174.322 -0.032 1
1 46 . 13 1 1 A 15 15 VAL CA C 15 59.546 59.133 0.413 1
1 47 . 13 1 1 A 15 15 VAL CB C 15 34.830 34.421 0.409 1
1 50 . 13 1 1 A 15 15 VAL N N 15 118.659 117.036 1.623 1
1 51 . 13 1 1 A 16 16 HIS H H 16 9.376 8.955 0.421 1
1 52 . 13 1 1 A 16 16 HIS HA H 16 5.030 5.054 -0.024 1
1 56 . 13 1 1 A 16 16 HIS C C 16 173.700 174.363 -0.663 1
1 57 . 13 1 1 A 16 16 HIS CA C 16 54.914 55.238 -0.324 1
1 58 . 13 1 1 A 16 16 HIS CB C 16 30.300 29.065 1.235 1
1 60 . 13 1 1 A 16 16 HIS N N 16 126.974 122.750 4.224 1
1 61 . 13 1 1 A 17 17 LEU H H 17 8.888 8.834 0.054 1
1 62 . 13 1 1 A 17 17 LEU HA H 17 5.100 5.056 0.044 1
1 72 . 13 1 1 A 17 17 LEU C C 17 175.750 175.898 -0.148 1
1 73 . 13 1 1 A 17 17 LEU CA C 17 53.160 53.695 -0.535 1
1 74 . 13 1 1 A 17 17 LEU CB C 17 44.890 42.662 2.228 1
1 78 . 13 1 1 A 17 17 LEU N N 17 126.426 125.438 0.988 1
1 79 . 13 1 1 A 18 18 HIS H H 18 8.610 8.890 -0.280 1
1 80 . 13 1 1 A 18 18 HIS HA H 18 5.191 5.043 0.148 1
1 84 . 13 1 1 A 18 18 HIS C C 18 174.120 174.696 -0.576 1
1 85 . 13 1 1 A 18 18 HIS CA C 18 55.120 55.658 -0.538 1
1 86 . 13 1 1 A 18 18 HIS CB C 18 31.000 30.757 0.243 1
1 88 . 13 1 1 A 18 18 HIS N N 18 120.309 123.758 -3.449 1
1 89 . 13 1 1 A 19 19 ILE H H 19 9.050 9.135 -0.085 1
1 90 . 13 1 1 A 19 19 ILE HA H 19 5.704 4.461 1.243 1
1 100 . 13 1 1 A 19 19 ILE C C 19 175.890 175.871 0.019 1
1 101 . 13 1 1 A 19 19 ILE CA C 19 60.250 61.800 -1.550 1
1 102 . 13 1 1 A 19 19 ILE CB C 19 40.500 37.447 3.053 1
1 106 . 13 1 1 A 19 19 ILE N N 19 123.672 125.314 -1.642 1
1 107 . 13 1 1 A 20 20 THR H H 20 9.224 9.398 -0.174 1
1 108 . 13 1 1 A 20 20 THR HA H 20 4.970 6.129 -1.159 1
1 110 . 13 1 1 A 20 20 THR C C 20 172.920 173.069 -0.149 1
1 111 . 13 1 1 A 20 20 THR CA C 20 60.960 60.078 0.882 1
1 112 . 13 1 1 A 20 20 THR CB C 20 71.732 71.655 0.077 1
1 114 . 13 1 1 A 20 20 THR N N 20 117.905 119.354 -1.449 1
1 115 . 13 1 1 A 21 21 HIS H H 21 9.755 8.964 0.791 1
1 116 . 13 1 1 A 21 21 HIS HA H 21 5.053 4.944 0.109 1
1 121 . 13 1 1 A 21 21 HIS C C 21 175.830 176.325 -0.495 1
1 122 . 13 1 1 A 21 21 HIS CA C 21 55.561 55.594 -0.033 1
1 123 . 13 1 1 A 21 21 HIS CB C 21 36.450 31.133 5.317 1
1 126 . 13 1 1 A 21 21 HIS N N 21 122.170 124.533 -2.363 1
1 127 . 13 1 1 A 22 22 ALA H H 22 9.098 8.284 0.814 1
1 128 . 13 1 1 A 22 22 ALA HA H 22 4.116 4.073 0.043 1
1 132 . 13 1 1 A 22 22 ALA C C 22 178.340 179.334 -0.994 1
1 133 . 13 1 1 A 22 22 ALA CA C 22 54.670 55.293 -0.623 1
1 134 . 13 1 1 A 22 22 ALA CB C 22 20.870 17.807 3.063 1
1 135 . 13 1 1 A 22 22 ALA N N 22 128.332 129.503 -1.171 1
1 136 . 13 1 1 A 23 23 ASN H H 23 10.395 7.383 3.012 1
1 137 . 13 1 1 A 23 23 ASN HA H 23 5.066 4.460 0.606 1
1 142 . 13 1 1 A 23 23 ASN C C 23 175.090 175.411 -0.321 1
1 143 . 13 1 1 A 23 23 ASN CA C 23 53.649 55.085 -1.436 1
1 144 . 13 1 1 A 23 23 ASN CB C 23 41.160 38.446 2.714 1
1 145 . 13 1 1 A 23 23 ASN N N 23 116.400 116.605 -0.205 1
1 147 . 13 1 1 A 24 24 LEU H H 24 7.752 7.771 -0.019 1
1 148 . 13 1 1 A 24 24 LEU HA H 24 4.637 4.585 0.052 1
1 157 . 13 1 1 A 24 24 LEU C C 24 176.810 176.543 0.267 1
1 158 . 13 1 1 A 24 24 LEU CA C 24 53.380 54.333 -0.953 1
1 159 . 13 1 1 A 24 24 LEU CB C 24 41.630 42.954 -1.324 1
1 162 . 13 1 1 A 24 24 LEU N N 24 122.870 118.418 4.452 1
1 163 . 13 1 1 A 25 25 LYS H H 25 8.491 8.600 -0.109 1
1 164 . 13 1 1 A 25 25 LYS HA H 25 4.196 4.031 0.165 1
1 171 . 13 1 1 A 25 25 LYS C C 25 177.530 178.418 -0.888 1
1 172 . 13 1 1 A 25 25 LYS CA C 25 59.270 58.948 0.322 1
1 173 . 13 1 1 A 25 25 LYS CB C 25 32.300 32.366 -0.066 1
1 177 . 13 1 1 A 25 25 LYS N N 25 124.310 127.568 -3.258 1
1 178 . 13 1 1 A 26 26 SER H H 26 8.512 8.059 0.453 1
1 179 . 13 1 1 A 26 26 SER HA H 26 4.513 4.387 0.126 1
1 182 . 13 1 1 A 26 26 SER C C 26 174.090 175.078 -0.988 1
1 183 . 13 1 1 A 26 26 SER CA C 26 58.200 61.953 -3.753 1
1 184 . 13 1 1 A 26 26 SER CB C 26 63.487 63.425 0.062 1
1 185 . 13 1 1 A 26 26 SER N N 26 111.482 114.767 -3.285 1
1 186 . 13 1 1 A 27 27 PHE H H 27 7.723 7.811 -0.088 1
1 187 . 13 1 1 A 27 27 PHE HA H 27 4.463 4.859 -0.396 1
1 194 . 13 1 1 A 27 27 PHE C C 27 175.270 174.791 0.479 1
1 195 . 13 1 1 A 27 27 PHE CA C 27 59.290 56.613 2.677 1
1 196 . 13 1 1 A 27 27 PHE CB C 27 40.440 39.000 1.440 1
1 201 . 13 1 1 A 27 27 PHE N N 27 123.451 124.102 -0.651 1
1 202 . 13 1 1 A 28 28 SER H H 28 7.702 8.713 -1.011 1
1 203 . 13 1 1 A 28 28 SER HA H 28 4.630 5.056 -0.426 1
1 206 . 13 1 1 A 28 28 SER C C 28 172.060 172.724 -0.664 1
1 207 . 13 1 1 A 28 28 SER CA C 28 57.700 56.732 0.968 1
1 208 . 13 1 1 A 28 28 SER CB C 28 64.600 64.037 0.563 1
1 209 . 13 1 1 A 28 28 SER N N 28 123.039 124.094 -1.055 1
1 210 . 13 1 1 A 29 29 ALA H H 29 8.154 7.073 1.081 1
1 211 . 13 1 1 A 29 29 ALA HA H 29 4.655 4.547 0.108 1
1 215 . 13 1 1 A 29 29 ALA C C 29 174.090 176.300 -2.210 1
1 216 . 13 1 1 A 29 29 ALA CA C 29 51.300 50.982 0.318 1
1 217 . 13 1 1 A 29 29 ALA CB C 29 22.900 19.476 3.424 1
1 218 . 13 1 1 A 29 29 ALA N N 29 124.700 125.238 -0.538 1
1 219 . 13 1 1 A 30 30 ASP H H 30 8.395 8.422 -0.027 1
1 220 . 13 1 1 A 30 30 ASP HA H 30 5.532 4.569 0.963 1
1 223 . 13 1 1 A 30 30 ASP C C 30 174.320 176.159 -1.839 1
1 224 . 13 1 1 A 30 30 ASP CA C 30 53.870 53.566 0.304 1
1 225 . 13 1 1 A 30 30 ASP CB C 30 44.420 40.955 3.465 1
1 226 . 13 1 1 A 30 30 ASP N N 30 117.900 121.852 -3.952 1
1 227 . 13 1 1 A 31 31 ALA H H 31 8.866 9.205 -0.339 1
1 228 . 13 1 1 A 31 31 ALA HA H 31 4.554 5.035 -0.481 1
1 232 . 13 1 1 A 31 31 ALA C C 31 174.240 175.612 -1.372 1
1 233 . 13 1 1 A 31 31 ALA CA C 31 51.710 50.047 1.663 1
1 234 . 13 1 1 A 31 31 ALA CB C 31 22.710 22.767 -0.057 1
1 235 . 13 1 1 A 31 31 ALA N N 31 121.463 124.776 -3.313 1
1 236 . 13 1 1 A 32 32 ARG H H 32 8.056 8.603 -0.547 1
1 237 . 13 1 1 A 32 32 ARG HA H 32 5.232 5.187 0.045 1
1 244 . 13 1 1 A 32 32 ARG C C 32 175.610 174.832 0.778 1
1 245 . 13 1 1 A 32 32 ARG CA C 32 54.780 54.490 0.290 1
1 246 . 13 1 1 A 32 32 ARG CB C 32 31.840 32.246 -0.406 1
1 249 . 13 1 1 A 32 32 ARG N N 32 119.065 117.370 1.695 1
1 250 . 13 1 1 A 33 33 PHE H H 33 8.787 8.953 -0.166 1
1 251 . 13 1 1 A 33 33 PHE HA H 33 4.900 5.062 -0.162 1
1 258 . 13 1 1 A 33 33 PHE C C 33 175.050 174.445 0.605 1
1 259 . 13 1 1 A 33 33 PHE CA C 33 55.790 56.794 -1.004 1
1 260 . 13 1 1 A 33 33 PHE CB C 33 43.300 43.345 -0.045 1
1 265 . 13 1 1 A 33 33 PHE N N 33 119.356 122.131 -2.775 1
1 266 . 13 1 1 A 34 34 SER H H 34 8.361 8.944 -0.583 1
1 267 . 13 1 1 A 34 34 SER HA H 34 4.910 5.046 -0.136 1
1 268 . 13 1 1 A 34 34 SER CA C 34 55.270 55.586 -0.316 1
1 269 . 13 1 1 A 34 34 SER CB C 34 64.310 64.004 0.306 1
1 270 . 13 1 1 A 34 34 SER N N 34 118.000 116.874 1.126 1
1 271 . 13 1 1 A 35 35 PRO HA H 35 4.183 4.395 -0.212 1
1 278 . 13 1 1 A 35 35 PRO C C 35 176.460 177.781 -1.321 1
1 279 . 13 1 1 A 35 35 PRO CA C 35 64.120 64.141 -0.021 1
1 280 . 13 1 1 A 35 35 PRO CB C 35 32.140 31.645 0.495 1
1 283 . 13 1 1 A 36 36 GLN H H 36 8.013 8.729 -0.716 1
1 284 . 13 1 1 A 36 36 GLN HA H 36 4.278 4.131 0.147 1
1 291 . 13 1 1 A 36 36 GLN C C 36 176.630 175.914 0.716 1
1 292 . 13 1 1 A 36 36 GLN CA C 36 56.600 57.816 -1.216 1
1 293 . 13 1 1 A 36 36 GLN CB C 36 29.380 28.602 0.778 1
1 295 . 13 1 1 A 36 36 GLN N N 36 114.700 117.809 -3.109 1
1 297 . 13 1 1 A 37 37 MET H H 37 7.628 7.838 -0.210 1
1 298 . 13 1 1 A 37 37 MET HA H 37 4.314 4.585 -0.271 1
1 303 . 13 1 1 A 37 37 MET C C 37 174.480 175.784 -1.304 1
1 304 . 13 1 1 A 37 37 MET CA C 37 56.260 54.697 1.563 1
1 305 . 13 1 1 A 37 37 MET CB C 37 34.890 34.258 0.632 1
1 307 . 13 1 1 A 37 37 MET N N 37 120.895 120.878 0.017 1
1 308 . 13 1 1 A 38 38 SER H H 38 8.740 8.977 -0.237 1
1 309 . 13 1 1 A 38 38 SER HA H 38 4.650 4.428 0.222 1
1 312 . 13 1 1 A 38 38 SER C C 38 175.320 175.064 0.256 1
1 313 . 13 1 1 A 38 38 SER CA C 38 57.555 59.553 -1.998 1
1 314 . 13 1 1 A 38 38 SER CB C 38 64.800 63.364 1.436 1
1 315 . 13 1 1 A 38 38 SER N N 38 119.800 121.151 -1.351 1
1 316 . 13 1 1 A 39 39 VAL H H 39 8.619 8.259 0.360 1
1 317 . 13 1 1 A 39 39 VAL HA H 39 3.405 3.592 -0.187 1
1 325 . 13 1 1 A 39 39 VAL C C 39 177.950 177.896 0.054 1
1 326 . 13 1 1 A 39 39 VAL CA C 39 68.010 66.091 1.919 1
1 327 . 13 1 1 A 39 39 VAL CB C 39 31.830 31.523 0.307 1
1 330 . 13 1 1 A 39 39 VAL N N 39 122.324 123.783 -1.459 1
1 331 . 13 1 1 A 40 40 GLU H H 40 8.737 8.282 0.455 1
1 332 . 13 1 1 A 40 40 GLU HA H 40 3.743 3.969 -0.226 1
1 337 . 13 1 1 A 40 40 GLU C C 40 177.450 177.937 -0.487 1
1 338 . 13 1 1 A 40 40 GLU CA C 40 60.570 59.467 1.103 1
1 339 . 13 1 1 A 40 40 GLU CB C 40 30.000 29.506 0.494 1
1 341 . 13 1 1 A 40 40 GLU N N 40 120.358 120.914 -0.556 1
1 342 . 13 1 1 A 41 41 ALA H H 41 8.056 7.753 0.303 1
1 343 . 13 1 1 A 41 41 ALA HA H 41 4.275 4.383 -0.108 1
1 347 . 13 1 1 A 41 41 ALA C C 41 181.560 178.046 3.514 1
1 348 . 13 1 1 A 41 41 ALA CA C 41 55.080 52.525 2.555 1
1 349 . 13 1 1 A 41 41 ALA CB C 41 18.570 18.943 -0.373 1
1 350 . 13 1 1 A 41 41 ALA N N 41 123.045 120.532 2.513 1
1 351 . 13 1 1 A 42 42 VAL H H 42 8.519 7.562 0.957 1
1 352 . 13 1 1 A 42 42 VAL HA H 42 3.456 3.850 -0.394 1
1 360 . 13 1 1 A 42 42 VAL C C 42 177.950 177.848 0.102 1
1 361 . 13 1 1 A 42 42 VAL CA C 42 67.440 65.701 1.739 1
1 362 . 13 1 1 A 42 42 VAL CB C 42 31.370 31.635 -0.265 1
1 365 . 13 1 1 A 42 42 VAL N N 42 122.576 117.115 5.461 1
1 366 . 13 1 1 A 43 43 LYS H H 43 8.660 7.612 1.048 1
1 367 . 13 1 1 A 43 43 LYS HA H 43 3.905 3.843 0.062 1
1 374 . 13 1 1 A 43 43 LYS C C 43 178.490 179.010 -0.520 1
1 375 . 13 1 1 A 43 43 LYS CA C 43 61.080 60.495 0.585 1
1 376 . 13 1 1 A 43 43 LYS CB C 43 33.450 32.348 1.102 1
1 380 . 13 1 1 A 43 43 LYS N N 43 118.752 119.509 -0.757 1
1 381 . 13 1 1 A 44 44 GLU H H 44 8.109 8.152 -0.043 1
1 382 . 13 1 1 A 44 44 GLU HA H 44 4.100 4.370 -0.270 1
1 387 . 13 1 1 A 44 44 GLU C C 44 178.760 178.951 -0.191 1
1 388 . 13 1 1 A 44 44 GLU CA C 44 60.560 59.505 1.055 1
1 389 . 13 1 1 A 44 44 GLU CB C 44 29.700 29.294 0.406 1
1 391 . 13 1 1 A 44 44 GLU N N 44 118.904 119.812 -0.908 1
1 392 . 13 1 1 A 45 45 LYS H H 45 7.868 7.937 -0.069 1
1 393 . 13 1 1 A 45 45 LYS HA H 45 4.147 4.151 -0.004 1
1 400 . 13 1 1 A 45 45 LYS C C 45 180.020 179.134 0.886 1
1 401 . 13 1 1 A 45 45 LYS CA C 45 59.210 59.238 -0.028 1
1 402 . 13 1 1 A 45 45 LYS CB C 45 32.540 32.308 0.232 1
1 406 . 13 1 1 A 45 45 LYS N N 45 118.353 120.076 -1.723 1
1 407 . 13 1 1 A 46 46 LEU H H 46 8.538 8.277 0.261 1
1 408 . 13 1 1 A 46 46 LEU HA H 46 4.147 4.040 0.107 1
1 418 . 13 1 1 A 46 46 LEU C C 46 179.950 179.256 0.694 1
1 419 . 13 1 1 A 46 46 LEU CA C 46 57.900 57.929 -0.029 1
1 420 . 13 1 1 A 46 46 LEU CB C 46 40.800 41.954 -1.154 1
1 424 . 13 1 1 A 46 46 LEU N N 46 118.568 118.856 -0.288 1
1 425 . 13 1 1 A 47 47 TRP H H 47 9.308 8.332 0.976 1
1 426 . 13 1 1 A 47 47 TRP HA H 47 4.636 4.139 0.497 1
1 435 . 13 1 1 A 47 47 TRP C C 47 179.040 177.800 1.240 1
1 436 . 13 1 1 A 47 47 TRP CA C 47 60.312 60.559 -0.247 1
1 437 . 13 1 1 A 47 47 TRP CB C 47 28.080 29.863 -1.783 1
1 443 . 13 1 1 A 47 47 TRP N N 47 127.808 120.760 7.048 1
1 445 . 13 1 1 A 48 48 LYS H H 48 7.362 8.401 -1.039 1
1 446 . 13 1 1 A 48 48 LYS HA H 48 3.238 3.821 -0.583 1
1 453 . 13 1 1 A 48 48 LYS C C 48 177.660 178.138 -0.478 1
1 454 . 13 1 1 A 48 48 LYS CA C 48 58.360 57.576 0.784 1
1 455 . 13 1 1 A 48 48 LYS CB C 48 32.090 31.925 0.165 1
1 459 . 13 1 1 A 48 48 LYS N N 48 118.583 118.417 0.166 1
1 460 . 13 1 1 A 49 49 LYS H H 49 7.339 7.585 -0.246 1
1 461 . 13 1 1 A 49 49 LYS HA H 49 4.388 4.184 0.204 1
1 468 . 13 1 1 A 49 49 LYS C C 49 177.120 177.325 -0.205 1
1 469 . 13 1 1 A 49 49 LYS CA C 49 57.469 58.331 -0.862 1
1 470 . 13 1 1 A 49 49 LYS CB C 49 33.990 33.534 0.456 1
1 474 . 13 1 1 A 49 49 LYS N N 49 114.530 119.859 -5.329 1
1 475 . 13 1 1 A 50 50 CYS H H 50 8.092 8.135 -0.043 1
1 476 . 13 1 1 A 50 50 CYS HA H 50 4.880 4.722 0.158 1
1 479 . 13 1 1 A 50 50 CYS C C 50 174.560 174.687 -0.127 1
1 480 . 13 1 1 A 50 50 CYS CA C 50 57.213 59.632 -2.419 1
1 481 . 13 1 1 A 50 50 CYS CB C 50 31.470 30.834 0.636 1
1 482 . 13 1 1 A 50 50 CYS N N 50 110.536 116.868 -6.332 1
1 483 . 13 1 1 A 51 51 GLY H H 51 8.644 8.199 0.445 1
1 484 . 13 1 1 A 51 51 GLY HA2 H 51 4.248 4.110 0.138 1
1 485 . 13 1 1 A 51 51 GLY HA3 H 51 3.650 4.151 -0.501 1
1 486 . 13 1 1 A 51 51 GLY C C 51 173.800 173.572 0.228 1
1 487 . 13 1 1 A 51 51 GLY CA C 51 46.390 45.009 1.381 1
1 488 . 13 1 1 A 51 51 GLY N N 51 113.666 109.277 4.389 1
1 489 . 13 1 1 A 52 52 THR H H 52 7.781 8.322 -0.541 1
1 490 . 13 1 1 A 52 52 THR HA H 52 4.277 4.701 -0.424 1
1 495 . 13 1 1 A 52 52 THR C C 52 172.080 174.572 -2.492 1
1 496 . 13 1 1 A 52 52 THR CA C 52 63.630 61.266 2.364 1
1 497 . 13 1 1 A 52 52 THR CB C 52 69.720 71.513 -1.793 1
1 499 . 13 1 1 A 52 52 THR N N 52 121.643 112.110 9.533 1
1 500 . 13 1 1 A 53 53 SER H H 53 8.606 8.736 -0.130 1
1 501 . 13 1 1 A 53 53 SER HA H 53 3.775 3.824 -0.049 1
1 504 . 13 1 1 A 53 53 SER C C 53 175.890 174.069 1.821 1
1 505 . 13 1 1 A 53 53 SER CA C 53 58.590 59.432 -0.842 1
1 506 . 13 1 1 A 53 53 SER CB C 53 63.620 63.821 -0.201 1
1 507 . 13 1 1 A 53 53 SER N N 53 120.903 117.250 3.653 1
1 508 . 13 1 1 A 54 54 VAL H H 54 7.895 8.110 -0.215 1
1 509 . 13 1 1 A 54 54 VAL HA H 54 3.563 4.057 -0.494 1
1 517 . 13 1 1 A 54 54 VAL C C 54 178.260 175.888 2.372 1
1 518 . 13 1 1 A 54 54 VAL CA C 54 66.600 62.752 3.848 1
1 519 . 13 1 1 A 54 54 VAL CB C 54 31.630 30.321 1.309 1
1 522 . 13 1 1 A 54 54 VAL N N 54 121.121 125.103 -3.982 1
1 523 . 13 1 1 A 55 55 ASN H H 55 8.148 8.403 -0.255 1
1 524 . 13 1 1 A 55 55 ASN HA H 55 4.496 4.812 -0.316 1
1 529 . 13 1 1 A 55 55 ASN C C 55 175.640 175.617 0.023 1
1 530 . 13 1 1 A 55 55 ASN CA C 55 54.875 54.636 0.239 1
1 531 . 13 1 1 A 55 55 ASN CB C 55 38.120 40.234 -2.114 1
1 532 . 13 1 1 A 55 55 ASN N N 55 115.018 125.544 -10.526 1
1 534 . 13 1 1 A 56 56 SER H H 56 7.559 8.432 -0.873 1
1 535 . 13 1 1 A 56 56 SER HA H 56 4.585 4.422 0.163 1
1 538 . 13 1 1 A 56 56 SER C C 56 171.180 174.276 -3.096 1
1 539 . 13 1 1 A 56 56 SER CA C 56 57.260 58.974 -1.714 1
1 540 . 13 1 1 A 56 56 SER CB C 56 64.260 63.973 0.287 1
1 541 . 13 1 1 A 56 56 SER N N 56 114.545 113.328 1.217 1
1 542 . 13 1 1 A 57 57 MET H H 57 7.177 7.094 0.083 1
1 543 . 13 1 1 A 57 57 MET HA H 57 4.785 4.727 0.058 1
1 548 . 13 1 1 A 57 57 MET C C 57 175.400 174.366 1.034 1
1 549 . 13 1 1 A 57 57 MET CA C 57 55.631 54.116 1.515 1
1 550 . 13 1 1 A 57 57 MET CB C 57 36.740 33.475 3.265 1
1 552 . 13 1 1 A 57 57 MET N N 57 120.883 121.914 -1.031 1
1 553 . 13 1 1 A 58 58 ALA H H 58 9.226 9.290 -0.064 1
1 554 . 13 1 1 A 58 58 ALA HA H 58 4.723 5.242 -0.519 1
1 558 . 13 1 1 A 58 58 ALA C C 58 175.360 176.214 -0.854 1
1 559 . 13 1 1 A 58 58 ALA CA C 58 50.327 50.246 0.081 1
1 560 . 13 1 1 A 58 58 ALA CB C 58 21.580 21.460 0.120 1
1 561 . 13 1 1 A 58 58 ALA N N 58 129.559 130.145 -0.586 1
1 562 . 13 1 1 A 59 59 LEU H H 59 8.307 9.164 -0.857 1
1 563 . 13 1 1 A 59 59 LEU HA H 59 5.393 4.709 0.684 1
1 573 . 13 1 1 A 59 59 LEU C C 59 175.470 175.195 0.275 1
1 574 . 13 1 1 A 59 59 LEU CA C 59 52.970 53.749 -0.779 1
1 575 . 13 1 1 A 59 59 LEU CB C 59 47.410 41.925 5.485 1
1 579 . 13 1 1 A 59 59 LEU N N 59 118.793 122.182 -3.389 1
1 580 . 13 1 1 A 60 60 GLU H H 60 8.978 8.676 0.302 1
1 581 . 13 1 1 A 60 60 GLU HA H 60 4.789 4.733 0.056 1
1 586 . 13 1 1 A 60 60 GLU C C 60 173.670 174.689 -1.019 1
1 587 . 13 1 1 A 60 60 GLU CA C 60 54.246 55.502 -1.256 1
1 588 . 13 1 1 A 60 60 GLU CB C 60 35.470 30.552 4.918 1
1 590 . 13 1 1 A 60 60 GLU N N 60 121.100 124.374 -3.274 1
1 591 . 13 1 1 A 61 61 LEU H H 61 8.651 8.793 -0.142 1
1 592 . 13 1 1 A 61 61 LEU HA H 61 5.541 4.785 0.756 1
1 602 . 13 1 1 A 61 61 LEU C C 61 174.270 174.552 -0.282 1
1 603 . 13 1 1 A 61 61 LEU CA C 61 53.120 54.040 -0.920 1
1 604 . 13 1 1 A 61 61 LEU CB C 61 46.890 43.100 3.790 1
1 608 . 13 1 1 A 61 61 LEU N N 61 122.689 128.332 -5.643 1
1 609 . 13 1 1 A 62 62 TYR H H 62 10.028 9.239 0.789 1
1 610 . 13 1 1 A 62 62 TYR HA H 62 5.096 4.867 0.229 1
1 617 . 13 1 1 A 62 62 TYR C C 62 175.180 174.975 0.205 1
1 618 . 13 1 1 A 62 62 TYR CA C 62 56.520 57.892 -1.372 1
1 619 . 13 1 1 A 62 62 TYR CB C 62 42.520 39.772 2.748 1
1 624 . 13 1 1 A 62 62 TYR N N 62 126.875 127.369 -0.494 1
1 625 . 13 1 1 A 63 63 ASP H H 63 8.573 8.720 -0.147 1
1 626 . 13 1 1 A 63 63 ASP HA H 63 2.824 4.717 -1.893 1
1 629 . 13 1 1 A 63 63 ASP C C 63 176.470 175.696 0.774 1
1 630 . 13 1 1 A 63 63 ASP CA C 63 51.490 52.280 -0.790 1
1 631 . 13 1 1 A 63 63 ASP CB C 63 41.490 39.757 1.733 1
1 632 . 13 1 1 A 63 63 ASP N N 63 118.563 124.863 -6.300 1
1 633 . 13 1 1 A 64 64 ASP H H 64 8.319 8.323 -0.004 1
1 634 . 13 1 1 A 64 64 ASP HA H 64 4.396 4.423 -0.027 1
1 637 . 13 1 1 A 64 64 ASP C C 64 176.670 174.735 1.935 1
1 638 . 13 1 1 A 64 64 ASP CA C 64 55.270 55.895 -0.625 1
1 639 . 13 1 1 A 64 64 ASP CB C 64 39.540 40.715 -1.175 1
1 640 . 13 1 1 A 64 64 ASP N N 64 114.728 124.991 -10.263 1
1 641 . 13 1 1 A 65 65 SER H H 65 8.305 8.293 0.012 1
1 642 . 13 1 1 A 65 65 SER HA H 65 4.640 4.620 0.020 1
1 645 . 13 1 1 A 65 65 SER C C 65 174.700 173.560 1.140 1
1 646 . 13 1 1 A 65 65 SER CA C 65 58.550 57.897 0.653 1
1 647 . 13 1 1 A 65 65 SER CB C 65 64.393 65.924 -1.531 1
1 648 . 13 1 1 A 65 65 SER N N 65 115.837 111.450 4.387 1
1 649 . 13 1 1 A 66 66 GLY H H 66 7.876 8.358 -0.482 1
1 650 . 13 1 1 A 66 66 GLY HA2 H 66 4.284 3.930 0.354 1
1 651 . 13 1 1 A 66 66 GLY HA3 H 66 3.679 4.016 -0.337 1
1 652 . 13 1 1 A 66 66 GLY C C 66 174.550 174.191 0.359 1
1 653 . 13 1 1 A 66 66 GLY CA C 66 45.570 44.462 1.108 1
1 654 . 13 1 1 A 66 66 GLY N N 66 109.151 113.252 -4.101 1
1 655 . 13 1 1 A 67 67 SER H H 67 8.416 8.571 -0.155 1
1 656 . 13 1 1 A 67 67 SER HA H 67 4.583 4.145 0.438 1
1 659 . 13 1 1 A 67 67 SER C C 67 173.680 173.858 -0.178 1
1 660 . 13 1 1 A 67 67 SER CA C 67 58.070 58.978 -0.908 1
1 661 . 13 1 1 A 67 67 SER CB C 67 63.300 62.126 1.174 1
1 662 . 13 1 1 A 67 67 SER N N 67 119.156 114.725 4.431 1
1 663 . 13 1 1 A 68 68 LYS H H 68 8.880 8.382 0.498 1
1 664 . 13 1 1 A 68 68 LYS HA H 68 3.233 4.852 -1.619 1
1 671 . 13 1 1 A 68 68 LYS C C 68 176.440 176.722 -0.282 1
1 672 . 13 1 1 A 68 68 LYS CA C 68 57.920 55.983 1.937 1
1 673 . 13 1 1 A 68 68 LYS CB C 68 31.822 33.294 -1.472 1
1 677 . 13 1 1 A 68 68 LYS N N 68 128.005 125.146 2.859 1
1 678 . 13 1 1 A 69 69 VAL H H 69 9.215 8.837 0.378 1
1 679 . 13 1 1 A 69 69 VAL HA H 69 4.185 4.429 -0.244 1
1 687 . 13 1 1 A 69 69 VAL C C 69 176.170 175.698 0.472 1
1 688 . 13 1 1 A 69 69 VAL CA C 69 62.860 61.324 1.536 1
1 689 . 13 1 1 A 69 69 VAL CB C 69 33.660 31.780 1.880 1
1 692 . 13 1 1 A 69 69 VAL N N 69 126.574 118.920 7.654 1
1 693 . 13 1 1 A 70 70 ALA H H 70 7.647 7.658 -0.011 1
1 694 . 13 1 1 A 70 70 ALA HA H 70 4.614 4.353 0.261 1
1 698 . 13 1 1 A 70 70 ALA C C 70 175.170 177.700 -2.530 1
1 699 . 13 1 1 A 70 70 ALA CA C 70 52.400 51.487 0.913 1
1 700 . 13 1 1 A 70 70 ALA CB C 70 23.350 18.115 5.235 1
1 701 . 13 1 1 A 70 70 ALA N N 70 118.268 126.682 -8.414 1
1 702 . 13 1 1 A 71 71 VAL H H 71 8.428 8.125 0.303 1
1 703 . 13 1 1 A 71 71 VAL HA H 71 4.216 4.060 0.156 1
1 711 . 13 1 1 A 71 71 VAL C C 71 175.810 175.487 0.323 1
1 712 . 13 1 1 A 71 71 VAL CA C 71 62.380 64.131 -1.751 1
1 713 . 13 1 1 A 71 71 VAL CB C 71 33.120 32.781 0.339 1
1 716 . 13 1 1 A 71 71 VAL N N 71 119.624 123.482 -3.858 1
1 717 . 13 1 1 A 72 72 LEU H H 72 8.333 7.877 0.456 1
1 718 . 13 1 1 A 72 72 LEU HA H 72 3.882 3.924 -0.042 1
1 728 . 13 1 1 A 72 72 LEU C C 72 176.580 176.056 0.524 1
1 729 . 13 1 1 A 72 72 LEU CA C 72 54.600 55.580 -0.980 1
1 730 . 13 1 1 A 72 72 LEU CB C 72 37.880 40.251 -2.371 1
1 734 . 13 1 1 A 72 72 LEU N N 72 130.241 121.707 8.534 1
1 735 . 13 1 1 A 73 73 SER H H 73 7.865 8.164 -0.299 1
1 736 . 13 1 1 A 73 73 SER HA H 73 4.304 4.765 -0.461 1
1 739 . 13 1 1 A 73 73 SER C C 73 173.470 174.858 -1.388 1
1 740 . 13 1 1 A 73 73 SER CA C 73 59.400 59.316 0.084 1
1 741 . 13 1 1 A 73 73 SER CB C 73 64.230 66.228 -1.998 1
1 742 . 13 1 1 A 73 73 SER N N 73 116.577 115.303 1.274 1
1 743 . 13 1 1 A 74 74 ASP H H 74 7.553 7.993 -0.440 1
1 744 . 13 1 1 A 74 74 ASP HA H 74 4.858 4.983 -0.125 1
1 747 . 13 1 1 A 74 74 ASP C C 74 175.910 176.140 -0.230 1
1 748 . 13 1 1 A 74 74 ASP CA C 74 53.057 53.579 -0.522 1
1 749 . 13 1 1 A 74 74 ASP CB C 74 41.720 41.325 0.395 1
1 750 . 13 1 1 A 74 74 ASP N N 74 120.482 118.462 2.020 1
1 751 . 13 1 1 A 75 75 ASP H H 75 8.601 7.963 0.638 1
1 752 . 13 1 1 A 75 75 ASP HA H 75 4.375 4.262 0.113 1
1 755 . 13 1 1 A 75 75 ASP C C 75 176.590 177.779 -1.189 1
1 756 . 13 1 1 A 75 75 ASP CA C 75 56.760 57.621 -0.861 1
1 757 . 13 1 1 A 75 75 ASP CB C 75 41.310 41.853 -0.543 1
1 758 . 13 1 1 A 75 75 ASP N N 75 125.434 121.533 3.901 1
1 759 . 13 1 1 A 76 76 SER H H 76 8.558 7.736 0.822 1
1 760 . 13 1 1 A 76 76 SER HA H 76 4.463 4.711 -0.248 1
1 763 . 13 1 1 A 76 76 SER C C 76 175.630 173.660 1.970 1
1 764 . 13 1 1 A 76 76 SER CA C 76 59.320 58.041 1.279 1
1 765 . 13 1 1 A 76 76 SER CB C 76 64.255 63.440 0.815 1
1 766 . 13 1 1 A 76 76 SER N N 76 112.502 111.481 1.021 1
1 767 . 13 1 1 A 77 77 ARG H H 77 7.381 7.433 -0.052 1
1 768 . 13 1 1 A 77 77 ARG HA H 77 4.318 4.728 -0.410 1
1 775 . 13 1 1 A 77 77 ARG CA C 77 53.260 53.119 0.141 1
1 776 . 13 1 1 A 77 77 ARG CB C 77 30.880 31.068 -0.188 1
1 779 . 13 1 1 A 77 77 ARG N N 77 123.368 119.382 3.986 1
1 780 . 13 1 1 A 78 78 PRO HA H 78 4.697 4.631 0.066 1
1 787 . 13 1 1 A 78 78 PRO C C 78 178.090 177.725 0.365 1
1 788 . 13 1 1 A 78 78 PRO CA C 78 61.970 62.760 -0.790 1
1 789 . 13 1 1 A 78 78 PRO CB C 78 31.380 31.682 -0.302 1
1 792 . 13 1 1 A 79 79 LEU H H 79 9.260 8.917 0.343 1
1 793 . 13 1 1 A 79 79 LEU HA H 79 4.099 4.165 -0.066 1
1 803 . 13 1 1 A 79 79 LEU C C 79 178.680 178.955 -0.275 1
1 804 . 13 1 1 A 79 79 LEU CA C 79 58.290 57.628 0.662 1
1 805 . 13 1 1 A 79 79 LEU CB C 79 42.160 41.765 0.395 1
1 809 . 13 1 1 A 79 79 LEU N N 79 124.739 126.570 -1.831 1
1 810 . 13 1 1 A 80 80 GLY H H 80 9.611 8.385 1.226 1
1 811 . 13 1 1 A 80 80 GLY HA2 H 80 4.003 3.937 0.066 1
1 812 . 13 1 1 A 80 80 GLY HA3 H 80 3.683 3.962 -0.279 1
1 813 . 13 1 1 A 80 80 GLY C C 80 175.850 175.446 0.404 1
1 814 . 13 1 1 A 80 80 GLY CA C 80 46.830 46.592 0.238 1
1 815 . 13 1 1 A 80 80 GLY N N 80 102.276 106.692 -4.416 1
1 816 . 13 1 1 A 81 81 PHE H H 81 8.177 8.253 -0.076 1
1 817 . 13 1 1 A 81 81 PHE HA H 81 4.090 4.213 -0.123 1
1 822 . 13 1 1 A 81 81 PHE C C 81 175.810 177.632 -1.822 1
1 823 . 13 1 1 A 81 81 PHE CA C 81 60.560 60.800 -0.240 1
1 824 . 13 1 1 A 81 81 PHE CB C 81 39.640 39.000 0.640 1
1 827 . 13 1 1 A 81 81 PHE N N 81 123.413 122.437 0.976 1
1 828 . 13 1 1 A 82 82 PHE H H 82 7.733 7.822 -0.089 1
1 829 . 13 1 1 A 82 82 PHE HA H 82 4.171 4.124 0.047 1
1 834 . 13 1 1 A 82 82 PHE C C 82 172.960 174.291 -1.331 1
1 835 . 13 1 1 A 82 82 PHE CA C 82 57.730 60.826 -3.096 1
1 836 . 13 1 1 A 82 82 PHE CB C 82 38.670 40.179 -1.509 1
1 839 . 13 1 1 A 82 82 PHE N N 82 114.781 120.024 -5.243 1
1 840 . 13 1 1 A 83 83 SER H H 83 7.541 7.807 -0.266 1
1 841 . 13 1 1 A 83 83 SER HA H 83 3.898 4.918 -1.020 1
1 844 . 13 1 1 A 83 83 SER CA C 83 57.980 56.275 1.705 1
1 845 . 13 1 1 A 83 83 SER CB C 83 61.882 66.708 -4.826 1
1 846 . 13 1 1 A 83 83 SER N N 83 108.622 110.784 -2.162 1
1 847 . 13 1 1 A 85 85 PHE HA H 85 4.447 5.330 -0.883 1
1 854 . 13 1 1 A 85 85 PHE C C 85 173.640 172.603 1.037 1
1 855 . 13 1 1 A 85 85 PHE CA C 85 55.600 56.234 -0.634 1
1 856 . 13 1 1 A 85 85 PHE CB C 85 42.180 42.415 -0.235 1
1 861 . 13 1 1 A 86 86 ASP H H 86 8.469 8.927 -0.458 1
1 862 . 13 1 1 A 86 86 ASP HA H 86 4.934 5.694 -0.760 1
1 865 . 13 1 1 A 86 86 ASP C C 86 177.910 175.730 2.180 1
1 866 . 13 1 1 A 86 86 ASP CA C 86 55.927 52.917 3.010 1
1 867 . 13 1 1 A 86 86 ASP CB C 86 41.109 44.662 -3.553 1
1 868 . 13 1 1 A 86 86 ASP N N 86 119.276 118.811 0.465 1
1 869 . 13 1 1 A 87 87 GLY H H 87 9.163 8.461 0.702 1
1 870 . 13 1 1 A 87 87 GLY HA2 H 87 4.570 4.010 0.560 1
1 871 . 13 1 1 A 87 87 GLY HA3 H 87 3.701 4.066 -0.365 1
1 872 . 13 1 1 A 87 87 GLY C C 87 175.180 174.897 0.283 1
1 873 . 13 1 1 A 87 87 GLY CA C 87 45.540 45.444 0.096 1
1 874 . 13 1 1 A 87 87 GLY N N 87 109.579 109.976 -0.397 1
1 875 . 13 1 1 A 88 88 PHE H H 88 8.270 8.115 0.155 1
1 876 . 13 1 1 A 88 88 PHE HA H 88 4.653 4.551 0.102 1
1 883 . 13 1 1 A 88 88 PHE C C 88 172.620 175.903 -3.283 1
1 884 . 13 1 1 A 88 88 PHE CA C 88 57.570 58.575 -1.005 1
1 885 . 13 1 1 A 88 88 PHE CB C 88 38.750 39.956 -1.206 1
1 890 . 13 1 1 A 88 88 PHE N N 88 121.300 119.606 1.694 1
1 891 . 13 1 1 A 89 89 ARG H H 89 9.056 8.712 0.344 1
1 892 . 13 1 1 A 89 89 ARG HA H 89 5.652 4.995 0.657 1
1 899 . 13 1 1 A 89 89 ARG C C 89 174.990 175.230 -0.240 1
1 900 . 13 1 1 A 89 89 ARG CA C 89 54.067 54.981 -0.914 1
1 901 . 13 1 1 A 89 89 ARG CB C 89 35.630 33.257 2.373 1
1 904 . 13 1 1 A 89 89 ARG N N 89 120.200 121.403 -1.203 1
1 905 . 13 1 1 A 90 90 LEU H H 90 9.487 9.066 0.421 1
1 906 . 13 1 1 A 90 90 LEU HA H 90 5.244 4.716 0.528 1
1 916 . 13 1 1 A 90 90 LEU C C 90 173.050 175.271 -2.221 1
1 917 . 13 1 1 A 90 90 LEU CA C 90 53.250 54.151 -0.901 1
1 918 . 13 1 1 A 90 90 LEU CB C 90 44.870 41.560 3.310 1
1 922 . 13 1 1 A 90 90 LEU N N 90 128.373 125.101 3.272 1
1 923 . 13 1 1 A 91 91 HIS H H 91 9.474 9.058 0.416 1
1 924 . 13 1 1 A 91 91 HIS HA H 91 5.357 5.475 -0.118 1
1 929 . 13 1 1 A 91 91 HIS C C 91 173.870 173.521 0.349 1
1 930 . 13 1 1 A 91 91 HIS CA C 91 54.320 54.320 0.000 1
1 931 . 13 1 1 A 91 91 HIS CB C 91 36.070 29.806 6.264 1
1 934 . 13 1 1 A 91 91 HIS N N 91 125.565 124.648 0.917 1
1 935 . 13 1 1 A 92 92 ILE H H 92 8.341 8.698 -0.357 1
1 936 . 13 1 1 A 92 92 ILE HA H 92 4.045 4.222 -0.177 1
1 946 . 13 1 1 A 92 92 ILE C C 92 173.350 175.440 -2.090 1
1 947 . 13 1 1 A 92 92 ILE CA C 92 61.380 62.068 -0.688 1
1 948 . 13 1 1 A 92 92 ILE CB C 92 40.040 37.499 2.541 1
1 952 . 13 1 1 A 92 92 ILE N N 92 126.939 128.415 -1.476 1
1 953 . 13 1 1 A 93 93 ILE H H 93 8.754 9.584 -0.830 1
1 954 . 13 1 1 A 93 93 ILE HA H 93 3.744 4.340 -0.596 1
1 964 . 13 1 1 A 93 93 ILE C C 93 174.450 174.382 0.068 1
1 965 . 13 1 1 A 93 93 ILE CA C 93 60.480 60.810 -0.330 1
1 966 . 13 1 1 A 93 93 ILE CB C 93 41.250 36.349 4.901 1
1 970 . 13 1 1 A 93 93 ILE N N 93 126.486 129.132 -2.646 1
1 971 . 13 1 1 A 94 94 ASP H H 94 7.976 7.837 0.139 1
1 972 . 13 1 1 A 94 94 ASP HA H 94 4.881 5.117 -0.236 1
1 975 . 13 1 1 A 94 94 ASP C C 94 176.710 176.183 0.527 1
1 976 . 13 1 1 A 94 94 ASP CA C 94 52.170 53.199 -1.029 1
1 977 . 13 1 1 A 94 94 ASP CB C 94 42.000 41.226 0.774 1
1 978 . 13 1 1 A 94 94 ASP N N 94 124.752 126.353 -1.601 1
1 979 . 13 1 1 A 95 95 LEU H H 95 9.218 8.578 0.640 1
1 980 . 13 1 1 A 95 95 LEU HA H 95 4.111 4.626 -0.515 1
1 990 . 13 1 1 A 95 95 LEU C C 95 177.230 176.277 0.953 1
1 991 . 13 1 1 A 95 95 LEU CA C 95 55.553 54.133 1.420 1
1 992 . 13 1 1 A 95 95 LEU CB C 95 42.380 41.560 0.820 1
1 996 . 13 1 1 A 95 95 LEU N N 95 126.286 125.874 0.412 1
1 997 . 13 1 1 A 96 96 ASP H H 96 8.762 7.339 1.423 1
1 998 . 13 1 1 A 96 96 ASP HA H 96 4.946 4.710 0.236 1
1 1001 . 13 1 1 A 96 96 ASP CA C 96 52.598 52.785 -0.187 1
1 1002 . 13 1 1 A 96 96 ASP CB C 96 41.400 40.630 0.770 1
1 1 . 14 1 1 A 10 10 HIS HA H 10 4.439 5.349 -0.910 1
1 4 . 14 1 1 A 10 10 HIS CA C 10 55.740 53.812 1.928 1
1 5 . 14 1 1 A 10 10 HIS CB C 10 32.490 32.334 0.156 1
1 6 . 14 1 1 A 11 11 GLY H H 11 8.463 8.789 -0.326 1
1 7 . 14 1 1 A 11 11 GLY HA2 H 11 3.930 3.859 0.071 1
1 8 . 14 1 1 A 11 11 GLY HA3 H 11 3.989 3.942 0.047 1
1 9 . 14 1 1 A 11 11 GLY C C 11 173.720 172.452 1.268 1
1 10 . 14 1 1 A 11 11 GLY CA C 11 45.450 45.533 -0.083 1
1 11 . 14 1 1 A 11 11 GLY N N 11 110.200 107.105 3.095 1
1 12 . 14 1 1 A 12 12 ASP H H 12 8.174 8.675 -0.501 1
1 13 . 14 1 1 A 12 12 ASP HA H 12 4.656 4.734 -0.078 1
1 16 . 14 1 1 A 12 12 ASP C C 12 174.950 174.827 0.123 1
1 17 . 14 1 1 A 12 12 ASP CA C 12 54.140 53.573 0.567 1
1 18 . 14 1 1 A 12 12 ASP CB C 12 41.370 39.401 1.969 1
1 19 . 14 1 1 A 12 12 ASP N N 12 120.300 124.279 -3.979 1
1 20 . 14 1 1 A 13 13 ASP H H 13 8.405 8.306 0.099 1
1 21 . 14 1 1 A 13 13 ASP HA H 13 4.630 5.267 -0.637 1
1 24 . 14 1 1 A 13 13 ASP C C 13 176.040 174.601 1.439 1
1 25 . 14 1 1 A 13 13 ASP CA C 13 53.910 54.046 -0.136 1
1 26 . 14 1 1 A 13 13 ASP CB C 13 40.840 42.895 -2.055 1
1 27 . 14 1 1 A 13 13 ASP N N 13 121.700 125.053 -3.353 1
1 28 . 14 1 1 A 14 14 SER H H 14 8.120 8.838 -0.718 1
1 29 . 14 1 1 A 14 14 SER HA H 14 4.570 5.000 -0.430 1
1 32 . 14 1 1 A 14 14 SER C C 14 173.350 173.237 0.113 1
1 33 . 14 1 1 A 14 14 SER CA C 14 59.250 57.773 1.477 1
1 34 . 14 1 1 A 14 14 SER CB C 14 64.956 67.312 -2.356 1
1 35 . 14 1 1 A 14 14 SER N N 14 114.400 120.504 -6.104 1
1 36 . 14 1 1 A 15 15 VAL H H 15 8.859 8.744 0.115 1
1 37 . 14 1 1 A 15 15 VAL HA H 15 4.754 4.538 0.216 1
1 45 . 14 1 1 A 15 15 VAL C C 15 174.290 174.855 -0.565 1
1 46 . 14 1 1 A 15 15 VAL CA C 15 59.546 59.709 -0.163 1
1 47 . 14 1 1 A 15 15 VAL CB C 15 34.830 33.871 0.959 1
1 50 . 14 1 1 A 15 15 VAL N N 15 118.659 117.268 1.391 1
1 51 . 14 1 1 A 16 16 HIS H H 16 9.376 9.120 0.256 1
1 52 . 14 1 1 A 16 16 HIS HA H 16 5.030 4.989 0.041 1
1 56 . 14 1 1 A 16 16 HIS C C 16 173.700 174.190 -0.490 1
1 57 . 14 1 1 A 16 16 HIS CA C 16 54.914 54.178 0.736 1
1 58 . 14 1 1 A 16 16 HIS CB C 16 30.300 30.013 0.287 1
1 60 . 14 1 1 A 16 16 HIS N N 16 126.974 120.353 6.621 1
1 61 . 14 1 1 A 17 17 LEU H H 17 8.888 8.666 0.222 1
1 62 . 14 1 1 A 17 17 LEU HA H 17 5.100 4.568 0.532 1
1 72 . 14 1 1 A 17 17 LEU C C 17 175.750 176.317 -0.567 1
1 73 . 14 1 1 A 17 17 LEU CA C 17 53.160 54.672 -1.512 1
1 74 . 14 1 1 A 17 17 LEU CB C 17 44.890 41.515 3.375 1
1 78 . 14 1 1 A 17 17 LEU N N 17 126.426 125.088 1.338 1
1 79 . 14 1 1 A 18 18 HIS H H 18 8.610 8.541 0.069 1
1 80 . 14 1 1 A 18 18 HIS HA H 18 5.191 4.963 0.228 1
1 84 . 14 1 1 A 18 18 HIS C C 18 174.120 174.560 -0.440 1
1 85 . 14 1 1 A 18 18 HIS CA C 18 55.120 55.616 -0.496 1
1 86 . 14 1 1 A 18 18 HIS CB C 18 31.000 29.245 1.755 1
1 88 . 14 1 1 A 18 18 HIS N N 18 120.309 124.064 -3.755 1
1 89 . 14 1 1 A 19 19 ILE H H 19 9.050 9.199 -0.149 1
1 90 . 14 1 1 A 19 19 ILE HA H 19 5.704 4.686 1.018 1
1 100 . 14 1 1 A 19 19 ILE C C 19 175.890 175.195 0.695 1
1 101 . 14 1 1 A 19 19 ILE CA C 19 60.250 61.243 -0.993 1
1 102 . 14 1 1 A 19 19 ILE CB C 19 40.500 38.151 2.349 1
1 106 . 14 1 1 A 19 19 ILE N N 19 123.672 125.649 -1.977 1
1 107 . 14 1 1 A 20 20 THR H H 20 9.224 8.789 0.435 1
1 108 . 14 1 1 A 20 20 THR HA H 20 4.970 4.950 0.020 1
1 110 . 14 1 1 A 20 20 THR C C 20 172.920 173.592 -0.672 1
1 111 . 14 1 1 A 20 20 THR CA C 20 60.960 61.356 -0.396 1
1 112 . 14 1 1 A 20 20 THR CB C 20 71.732 71.888 -0.156 1
1 114 . 14 1 1 A 20 20 THR N N 20 117.905 123.938 -6.033 1
1 115 . 14 1 1 A 21 21 HIS H H 21 9.755 9.098 0.657 1
1 116 . 14 1 1 A 21 21 HIS HA H 21 5.053 4.763 0.290 1
1 121 . 14 1 1 A 21 21 HIS C C 21 175.830 175.632 0.198 1
1 122 . 14 1 1 A 21 21 HIS CA C 21 55.561 56.190 -0.629 1
1 123 . 14 1 1 A 21 21 HIS CB C 21 36.450 31.184 5.266 1
1 126 . 14 1 1 A 21 21 HIS N N 21 122.170 124.970 -2.800 1
1 127 . 14 1 1 A 22 22 ALA H H 22 9.098 8.866 0.232 1
1 128 . 14 1 1 A 22 22 ALA HA H 22 4.116 4.135 -0.019 1
1 132 . 14 1 1 A 22 22 ALA C C 22 178.340 178.887 -0.547 1
1 133 . 14 1 1 A 22 22 ALA CA C 22 54.670 53.480 1.190 1
1 134 . 14 1 1 A 22 22 ALA CB C 22 20.870 19.073 1.797 1
1 135 . 14 1 1 A 22 22 ALA N N 22 128.332 124.181 4.151 1
1 136 . 14 1 1 A 23 23 ASN H H 23 10.395 8.740 1.655 1
1 137 . 14 1 1 A 23 23 ASN HA H 23 5.066 4.520 0.546 1
1 142 . 14 1 1 A 23 23 ASN C C 23 175.090 175.045 0.045 1
1 143 . 14 1 1 A 23 23 ASN CA C 23 53.649 56.199 -2.550 1
1 144 . 14 1 1 A 23 23 ASN CB C 23 41.160 38.974 2.186 1
1 145 . 14 1 1 A 23 23 ASN N N 23 116.400 117.491 -1.091 1
1 147 . 14 1 1 A 24 24 LEU H H 24 7.752 8.262 -0.510 1
1 148 . 14 1 1 A 24 24 LEU HA H 24 4.637 4.556 0.081 1
1 157 . 14 1 1 A 24 24 LEU C C 24 176.810 177.370 -0.560 1
1 158 . 14 1 1 A 24 24 LEU CA C 24 53.380 54.303 -0.923 1
1 159 . 14 1 1 A 24 24 LEU CB C 24 41.630 41.028 0.602 1
1 162 . 14 1 1 A 24 24 LEU N N 24 122.870 118.474 4.396 1
1 163 . 14 1 1 A 25 25 LYS H H 25 8.491 8.635 -0.144 1
1 164 . 14 1 1 A 25 25 LYS HA H 25 4.196 4.168 0.028 1
1 171 . 14 1 1 A 25 25 LYS C C 25 177.530 177.052 0.478 1
1 172 . 14 1 1 A 25 25 LYS CA C 25 59.270 58.722 0.548 1
1 173 . 14 1 1 A 25 25 LYS CB C 25 32.300 32.001 0.299 1
1 177 . 14 1 1 A 25 25 LYS N N 25 124.310 124.846 -0.536 1
1 178 . 14 1 1 A 26 26 SER H H 26 8.512 7.929 0.583 1
1 179 . 14 1 1 A 26 26 SER HA H 26 4.513 4.749 -0.236 1
1 182 . 14 1 1 A 26 26 SER C C 26 174.090 174.454 -0.364 1
1 183 . 14 1 1 A 26 26 SER CA C 26 58.200 58.367 -0.167 1
1 184 . 14 1 1 A 26 26 SER CB C 26 63.487 63.950 -0.463 1
1 185 . 14 1 1 A 26 26 SER N N 26 111.482 113.929 -2.447 1
1 186 . 14 1 1 A 27 27 PHE H H 27 7.723 7.636 0.087 1
1 187 . 14 1 1 A 27 27 PHE HA H 27 4.463 4.872 -0.409 1
1 194 . 14 1 1 A 27 27 PHE C C 27 175.270 174.015 1.255 1
1 195 . 14 1 1 A 27 27 PHE CA C 27 59.290 56.114 3.176 1
1 196 . 14 1 1 A 27 27 PHE CB C 27 40.440 39.303 1.137 1
1 201 . 14 1 1 A 27 27 PHE N N 27 123.451 124.425 -0.974 1
1 202 . 14 1 1 A 28 28 SER H H 28 7.702 8.882 -1.180 1
1 203 . 14 1 1 A 28 28 SER HA H 28 4.630 4.993 -0.363 1
1 206 . 14 1 1 A 28 28 SER C C 28 172.060 172.921 -0.861 1
1 207 . 14 1 1 A 28 28 SER CA C 28 57.700 57.878 -0.178 1
1 208 . 14 1 1 A 28 28 SER CB C 28 64.600 63.580 1.020 1
1 209 . 14 1 1 A 28 28 SER N N 28 123.039 123.495 -0.456 1
1 210 . 14 1 1 A 29 29 ALA H H 29 8.154 8.736 -0.582 1
1 211 . 14 1 1 A 29 29 ALA HA H 29 4.655 5.001 -0.346 1
1 215 . 14 1 1 A 29 29 ALA C C 29 174.090 175.657 -1.567 1
1 216 . 14 1 1 A 29 29 ALA CA C 29 51.300 50.133 1.167 1
1 217 . 14 1 1 A 29 29 ALA CB C 29 22.900 20.173 2.727 1
1 218 . 14 1 1 A 29 29 ALA N N 29 124.700 128.490 -3.790 1
1 219 . 14 1 1 A 30 30 ASP H H 30 8.395 8.863 -0.468 1
1 220 . 14 1 1 A 30 30 ASP HA H 30 5.532 4.970 0.562 1
1 223 . 14 1 1 A 30 30 ASP C C 30 174.320 175.023 -0.703 1
1 224 . 14 1 1 A 30 30 ASP CA C 30 53.870 52.839 1.031 1
1 225 . 14 1 1 A 30 30 ASP CB C 30 44.420 41.645 2.775 1
1 226 . 14 1 1 A 30 30 ASP N N 30 117.900 124.751 -6.851 1
1 227 . 14 1 1 A 31 31 ALA H H 31 8.866 9.247 -0.381 1
1 228 . 14 1 1 A 31 31 ALA HA H 31 4.554 4.560 -0.006 1
1 232 . 14 1 1 A 31 31 ALA C C 31 174.240 176.414 -2.174 1
1 233 . 14 1 1 A 31 31 ALA CA C 31 51.710 51.032 0.678 1
1 234 . 14 1 1 A 31 31 ALA CB C 31 22.710 19.640 3.070 1
1 235 . 14 1 1 A 31 31 ALA N N 31 121.463 129.949 -8.486 1
1 236 . 14 1 1 A 32 32 ARG H H 32 8.056 8.250 -0.194 1
1 237 . 14 1 1 A 32 32 ARG HA H 32 5.232 4.752 0.480 1
1 244 . 14 1 1 A 32 32 ARG C C 32 175.610 175.325 0.285 1
1 245 . 14 1 1 A 32 32 ARG CA C 32 54.780 55.555 -0.775 1
1 246 . 14 1 1 A 32 32 ARG CB C 32 31.840 30.726 1.114 1
1 249 . 14 1 1 A 32 32 ARG N N 32 119.065 122.904 -3.839 1
1 250 . 14 1 1 A 33 33 PHE H H 33 8.787 8.549 0.238 1
1 251 . 14 1 1 A 33 33 PHE HA H 33 4.900 4.804 0.096 1
1 258 . 14 1 1 A 33 33 PHE C C 33 175.050 175.286 -0.236 1
1 259 . 14 1 1 A 33 33 PHE CA C 33 55.790 57.038 -1.248 1
1 260 . 14 1 1 A 33 33 PHE CB C 33 43.300 42.539 0.761 1
1 265 . 14 1 1 A 33 33 PHE N N 33 119.356 121.644 -2.288 1
1 266 . 14 1 1 A 34 34 SER H H 34 8.361 8.958 -0.597 1
1 267 . 14 1 1 A 34 34 SER HA H 34 4.910 4.689 0.221 1
1 268 . 14 1 1 A 34 34 SER CA C 34 55.270 57.620 -2.350 1
1 269 . 14 1 1 A 34 34 SER CB C 34 64.310 63.015 1.295 1
1 270 . 14 1 1 A 34 34 SER N N 34 118.000 120.015 -2.015 1
1 271 . 14 1 1 A 35 35 PRO HA H 35 4.183 4.823 -0.640 1
1 278 . 14 1 1 A 35 35 PRO C C 35 176.460 175.794 0.666 1
1 279 . 14 1 1 A 35 35 PRO CA C 35 64.120 62.481 1.639 1
1 280 . 14 1 1 A 35 35 PRO CB C 35 32.140 29.386 2.754 1
1 283 . 14 1 1 A 36 36 GLN H H 36 8.013 8.414 -0.401 1
1 284 . 14 1 1 A 36 36 GLN HA H 36 4.278 4.598 -0.320 1
1 291 . 14 1 1 A 36 36 GLN C C 36 176.630 173.770 2.860 1
1 292 . 14 1 1 A 36 36 GLN CA C 36 56.600 55.738 0.862 1
1 293 . 14 1 1 A 36 36 GLN CB C 36 29.380 29.067 0.313 1
1 295 . 14 1 1 A 36 36 GLN N N 36 114.700 123.082 -8.382 1
1 297 . 14 1 1 A 37 37 MET H H 37 7.628 8.694 -1.066 1
1 298 . 14 1 1 A 37 37 MET HA H 37 4.314 4.924 -0.610 1
1 303 . 14 1 1 A 37 37 MET C C 37 174.480 173.891 0.589 1
1 304 . 14 1 1 A 37 37 MET CA C 37 56.260 54.370 1.890 1
1 305 . 14 1 1 A 37 37 MET CB C 37 34.890 36.144 -1.254 1
1 307 . 14 1 1 A 37 37 MET N N 37 120.895 124.929 -4.034 1
1 308 . 14 1 1 A 38 38 SER H H 38 8.740 8.706 0.034 1
1 309 . 14 1 1 A 38 38 SER HA H 38 4.650 4.859 -0.209 1
1 312 . 14 1 1 A 38 38 SER C C 38 175.320 175.702 -0.382 1
1 313 . 14 1 1 A 38 38 SER CA C 38 57.555 57.310 0.245 1
1 314 . 14 1 1 A 38 38 SER CB C 38 64.800 64.046 0.754 1
1 315 . 14 1 1 A 38 38 SER N N 38 119.800 119.761 0.039 1
1 316 . 14 1 1 A 39 39 VAL H H 39 8.619 8.243 0.376 1
1 317 . 14 1 1 A 39 39 VAL HA H 39 3.405 3.573 -0.168 1
1 325 . 14 1 1 A 39 39 VAL C C 39 177.950 177.836 0.114 1
1 326 . 14 1 1 A 39 39 VAL CA C 39 68.010 66.155 1.855 1
1 327 . 14 1 1 A 39 39 VAL CB C 39 31.830 31.348 0.482 1
1 330 . 14 1 1 A 39 39 VAL N N 39 122.324 127.795 -5.471 1
1 331 . 14 1 1 A 40 40 GLU H H 40 8.737 8.361 0.376 1
1 332 . 14 1 1 A 40 40 GLU HA H 40 3.743 3.906 -0.163 1
1 337 . 14 1 1 A 40 40 GLU C C 40 177.450 178.260 -0.810 1
1 338 . 14 1 1 A 40 40 GLU CA C 40 60.570 59.449 1.121 1
1 339 . 14 1 1 A 40 40 GLU CB C 40 30.000 29.484 0.516 1
1 341 . 14 1 1 A 40 40 GLU N N 40 120.358 121.096 -0.738 1
1 342 . 14 1 1 A 41 41 ALA H H 41 8.056 7.815 0.241 1
1 343 . 14 1 1 A 41 41 ALA HA H 41 4.275 4.080 0.195 1
1 347 . 14 1 1 A 41 41 ALA C C 41 181.560 179.724 1.836 1
1 348 . 14 1 1 A 41 41 ALA CA C 41 55.080 54.845 0.235 1
1 349 . 14 1 1 A 41 41 ALA CB C 41 18.570 18.192 0.378 1
1 350 . 14 1 1 A 41 41 ALA N N 41 123.045 121.935 1.110 1
1 351 . 14 1 1 A 42 42 VAL H H 42 8.519 7.500 1.019 1
1 352 . 14 1 1 A 42 42 VAL HA H 42 3.456 3.792 -0.336 1
1 360 . 14 1 1 A 42 42 VAL C C 42 177.950 177.629 0.321 1
1 361 . 14 1 1 A 42 42 VAL CA C 42 67.440 64.697 2.743 1
1 362 . 14 1 1 A 42 42 VAL CB C 42 31.370 31.245 0.125 1
1 365 . 14 1 1 A 42 42 VAL N N 42 122.576 117.329 5.247 1
1 366 . 14 1 1 A 43 43 LYS H H 43 8.660 7.971 0.689 1
1 367 . 14 1 1 A 43 43 LYS HA H 43 3.905 3.902 0.003 1
1 374 . 14 1 1 A 43 43 LYS C C 43 178.490 179.120 -0.630 1
1 375 . 14 1 1 A 43 43 LYS CA C 43 61.080 60.097 0.983 1
1 376 . 14 1 1 A 43 43 LYS CB C 43 33.450 31.961 1.489 1
1 380 . 14 1 1 A 43 43 LYS N N 43 118.752 122.385 -3.633 1
1 381 . 14 1 1 A 44 44 GLU H H 44 8.109 7.587 0.522 1
1 382 . 14 1 1 A 44 44 GLU HA H 44 4.100 4.129 -0.029 1
1 387 . 14 1 1 A 44 44 GLU C C 44 178.760 179.261 -0.501 1
1 388 . 14 1 1 A 44 44 GLU CA C 44 60.560 59.325 1.235 1
1 389 . 14 1 1 A 44 44 GLU CB C 44 29.700 29.154 0.546 1
1 391 . 14 1 1 A 44 44 GLU N N 44 118.904 119.502 -0.598 1
1 392 . 14 1 1 A 45 45 LYS H H 45 7.868 7.592 0.276 1
1 393 . 14 1 1 A 45 45 LYS HA H 45 4.147 4.233 -0.086 1
1 400 . 14 1 1 A 45 45 LYS C C 45 180.020 179.448 0.572 1
1 401 . 14 1 1 A 45 45 LYS CA C 45 59.210 58.741 0.469 1
1 402 . 14 1 1 A 45 45 LYS CB C 45 32.540 31.999 0.541 1
1 406 . 14 1 1 A 45 45 LYS N N 45 118.353 120.135 -1.782 1
1 407 . 14 1 1 A 46 46 LEU H H 46 8.538 7.921 0.617 1
1 408 . 14 1 1 A 46 46 LEU HA H 46 4.147 4.167 -0.020 1
1 418 . 14 1 1 A 46 46 LEU C C 46 179.950 179.332 0.618 1
1 419 . 14 1 1 A 46 46 LEU CA C 46 57.900 57.814 0.086 1
1 420 . 14 1 1 A 46 46 LEU CB C 46 40.800 42.086 -1.286 1
1 424 . 14 1 1 A 46 46 LEU N N 46 118.568 119.263 -0.695 1
1 425 . 14 1 1 A 47 47 TRP H H 47 9.308 8.519 0.789 1
1 426 . 14 1 1 A 47 47 TRP HA H 47 4.636 4.165 0.471 1
1 435 . 14 1 1 A 47 47 TRP C C 47 179.040 177.912 1.128 1
1 436 . 14 1 1 A 47 47 TRP CA C 47 60.312 60.507 -0.195 1
1 437 . 14 1 1 A 47 47 TRP CB C 47 28.080 29.965 -1.885 1
1 443 . 14 1 1 A 47 47 TRP N N 47 127.808 120.877 6.931 1
1 445 . 14 1 1 A 48 48 LYS H H 48 7.362 8.327 -0.965 1
1 446 . 14 1 1 A 48 48 LYS HA H 48 3.238 4.243 -1.005 1
1 453 . 14 1 1 A 48 48 LYS C C 48 177.660 178.724 -1.064 1
1 454 . 14 1 1 A 48 48 LYS CA C 48 58.360 58.249 0.111 1
1 455 . 14 1 1 A 48 48 LYS CB C 48 32.090 32.236 -0.146 1
1 459 . 14 1 1 A 48 48 LYS N N 48 118.583 118.271 0.312 1
1 460 . 14 1 1 A 49 49 LYS H H 49 7.339 7.882 -0.543 1
1 461 . 14 1 1 A 49 49 LYS HA H 49 4.388 4.090 0.298 1
1 468 . 14 1 1 A 49 49 LYS C C 49 177.120 177.799 -0.679 1
1 469 . 14 1 1 A 49 49 LYS CA C 49 57.469 58.675 -1.206 1
1 470 . 14 1 1 A 49 49 LYS CB C 49 33.990 32.965 1.025 1
1 474 . 14 1 1 A 49 49 LYS N N 49 114.530 120.161 -5.631 1
1 475 . 14 1 1 A 50 50 CYS H H 50 8.092 7.556 0.536 1
1 476 . 14 1 1 A 50 50 CYS HA H 50 4.880 4.576 0.304 1
1 479 . 14 1 1 A 50 50 CYS C C 50 174.560 175.905 -1.345 1
1 480 . 14 1 1 A 50 50 CYS CA C 50 57.213 59.043 -1.830 1
1 481 . 14 1 1 A 50 50 CYS CB C 50 31.470 30.479 0.991 1
1 482 . 14 1 1 A 50 50 CYS N N 50 110.536 116.019 -5.483 1
1 483 . 14 1 1 A 51 51 GLY H H 51 8.644 8.762 -0.118 1
1 484 . 14 1 1 A 51 51 GLY HA2 H 51 4.248 2.757 1.491 1
1 485 . 14 1 1 A 51 51 GLY HA3 H 51 3.650 3.511 0.139 1
1 486 . 14 1 1 A 51 51 GLY C C 51 173.800 173.012 0.788 1
1 487 . 14 1 1 A 51 51 GLY CA C 51 46.390 45.528 0.862 1
1 488 . 14 1 1 A 51 51 GLY N N 51 113.666 110.806 2.860 1
1 489 . 14 1 1 A 52 52 THR H H 52 7.781 6.718 1.063 1
1 490 . 14 1 1 A 52 52 THR HA H 52 4.277 4.790 -0.513 1
1 495 . 14 1 1 A 52 52 THR C C 52 172.080 173.503 -1.423 1
1 496 . 14 1 1 A 52 52 THR CA C 52 63.630 61.098 2.532 1
1 497 . 14 1 1 A 52 52 THR CB C 52 69.720 72.367 -2.647 1
1 499 . 14 1 1 A 52 52 THR N N 52 121.643 114.458 7.185 1
1 500 . 14 1 1 A 53 53 SER H H 53 8.606 8.822 -0.216 1
1 501 . 14 1 1 A 53 53 SER HA H 53 3.775 4.769 -0.994 1
1 504 . 14 1 1 A 53 53 SER C C 53 175.890 174.325 1.565 1
1 505 . 14 1 1 A 53 53 SER CA C 53 58.590 59.674 -1.084 1
1 506 . 14 1 1 A 53 53 SER CB C 53 63.620 64.338 -0.718 1
1 507 . 14 1 1 A 53 53 SER N N 53 120.903 122.669 -1.766 1
1 508 . 14 1 1 A 54 54 VAL H H 54 7.895 8.862 -0.967 1
1 509 . 14 1 1 A 54 54 VAL HA H 54 3.563 4.036 -0.473 1
1 517 . 14 1 1 A 54 54 VAL C C 54 178.260 175.925 2.335 1
1 518 . 14 1 1 A 54 54 VAL CA C 54 66.600 63.565 3.035 1
1 519 . 14 1 1 A 54 54 VAL CB C 54 31.630 30.779 0.851 1
1 522 . 14 1 1 A 54 54 VAL N N 54 121.121 125.574 -4.453 1
1 523 . 14 1 1 A 55 55 ASN H H 55 8.148 8.910 -0.762 1
1 524 . 14 1 1 A 55 55 ASN HA H 55 4.496 5.017 -0.521 1
1 529 . 14 1 1 A 55 55 ASN C C 55 175.640 176.547 -0.907 1
1 530 . 14 1 1 A 55 55 ASN CA C 55 54.875 54.198 0.677 1
1 531 . 14 1 1 A 55 55 ASN CB C 55 38.120 41.801 -3.681 1
1 532 . 14 1 1 A 55 55 ASN N N 55 115.018 126.933 -11.915 1
1 534 . 14 1 1 A 56 56 SER H H 56 7.559 8.130 -0.571 1
1 535 . 14 1 1 A 56 56 SER HA H 56 4.585 4.400 0.185 1
1 538 . 14 1 1 A 56 56 SER C C 56 171.180 174.780 -3.600 1
1 539 . 14 1 1 A 56 56 SER CA C 56 57.260 61.009 -3.749 1
1 540 . 14 1 1 A 56 56 SER CB C 56 64.260 63.336 0.924 1
1 541 . 14 1 1 A 56 56 SER N N 56 114.545 112.653 1.892 1
1 542 . 14 1 1 A 57 57 MET H H 57 7.177 7.867 -0.690 1
1 543 . 14 1 1 A 57 57 MET HA H 57 4.785 4.368 0.417 1
1 548 . 14 1 1 A 57 57 MET C C 57 175.400 175.552 -0.152 1
1 549 . 14 1 1 A 57 57 MET CA C 57 55.631 55.809 -0.178 1
1 550 . 14 1 1 A 57 57 MET CB C 57 36.740 33.249 3.491 1
1 552 . 14 1 1 A 57 57 MET N N 57 120.883 120.986 -0.103 1
1 553 . 14 1 1 A 58 58 ALA H H 58 9.226 8.162 1.064 1
1 554 . 14 1 1 A 58 58 ALA HA H 58 4.723 4.969 -0.246 1
1 558 . 14 1 1 A 58 58 ALA C C 58 175.360 176.576 -1.216 1
1 559 . 14 1 1 A 58 58 ALA CA C 58 50.327 50.918 -0.591 1
1 560 . 14 1 1 A 58 58 ALA CB C 58 21.580 20.657 0.923 1
1 561 . 14 1 1 A 58 58 ALA N N 58 129.559 129.897 -0.338 1
1 562 . 14 1 1 A 59 59 LEU H H 59 8.307 8.940 -0.633 1
1 563 . 14 1 1 A 59 59 LEU HA H 59 5.393 5.020 0.373 1
1 573 . 14 1 1 A 59 59 LEU C C 59 175.470 175.479 -0.009 1
1 574 . 14 1 1 A 59 59 LEU CA C 59 52.970 53.265 -0.295 1
1 575 . 14 1 1 A 59 59 LEU CB C 59 47.410 43.143 4.267 1
1 579 . 14 1 1 A 59 59 LEU N N 59 118.793 122.645 -3.852 1
1 580 . 14 1 1 A 60 60 GLU H H 60 8.978 8.639 0.339 1
1 581 . 14 1 1 A 60 60 GLU HA H 60 4.789 4.812 -0.023 1
1 586 . 14 1 1 A 60 60 GLU C C 60 173.670 174.117 -0.447 1
1 587 . 14 1 1 A 60 60 GLU CA C 60 54.246 54.317 -0.071 1
1 588 . 14 1 1 A 60 60 GLU CB C 60 35.470 32.546 2.924 1
1 590 . 14 1 1 A 60 60 GLU N N 60 121.100 124.162 -3.062 1
1 591 . 14 1 1 A 61 61 LEU H H 61 8.651 8.533 0.118 1
1 592 . 14 1 1 A 61 61 LEU HA H 61 5.541 4.915 0.626 1
1 602 . 14 1 1 A 61 61 LEU C C 61 174.270 174.200 0.070 1
1 603 . 14 1 1 A 61 61 LEU CA C 61 53.120 53.220 -0.100 1
1 604 . 14 1 1 A 61 61 LEU CB C 61 46.890 43.856 3.034 1
1 608 . 14 1 1 A 61 61 LEU N N 61 122.689 125.885 -3.196 1
1 609 . 14 1 1 A 62 62 TYR H H 62 10.028 8.861 1.167 1
1 610 . 14 1 1 A 62 62 TYR HA H 62 5.096 5.433 -0.337 1
1 617 . 14 1 1 A 62 62 TYR C C 62 175.180 174.770 0.410 1
1 618 . 14 1 1 A 62 62 TYR CA C 62 56.520 56.741 -0.221 1
1 619 . 14 1 1 A 62 62 TYR CB C 62 42.520 41.492 1.028 1
1 624 . 14 1 1 A 62 62 TYR N N 62 126.875 127.443 -0.568 1
1 625 . 14 1 1 A 63 63 ASP H H 63 8.573 9.460 -0.887 1
1 626 . 14 1 1 A 63 63 ASP HA H 63 2.824 5.065 -2.241 1
1 629 . 14 1 1 A 63 63 ASP C C 63 176.470 176.328 0.142 1
1 630 . 14 1 1 A 63 63 ASP CA C 63 51.490 54.088 -2.598 1
1 631 . 14 1 1 A 63 63 ASP CB C 63 41.490 41.886 -0.396 1
1 632 . 14 1 1 A 63 63 ASP N N 63 118.563 124.422 -5.859 1
1 633 . 14 1 1 A 64 64 ASP H H 64 8.319 9.102 -0.783 1
1 634 . 14 1 1 A 64 64 ASP HA H 64 4.396 4.542 -0.146 1
1 637 . 14 1 1 A 64 64 ASP C C 64 176.670 175.090 1.580 1
1 638 . 14 1 1 A 64 64 ASP CA C 64 55.270 55.967 -0.697 1
1 639 . 14 1 1 A 64 64 ASP CB C 64 39.540 40.795 -1.255 1
1 640 . 14 1 1 A 64 64 ASP N N 64 114.728 127.094 -12.366 1
1 641 . 14 1 1 A 65 65 SER H H 65 8.305 8.577 -0.272 1
1 642 . 14 1 1 A 65 65 SER HA H 65 4.640 4.696 -0.056 1
1 645 . 14 1 1 A 65 65 SER C C 65 174.700 175.273 -0.573 1
1 646 . 14 1 1 A 65 65 SER CA C 65 58.550 59.483 -0.933 1
1 647 . 14 1 1 A 65 65 SER CB C 65 64.393 65.399 -1.006 1
1 648 . 14 1 1 A 65 65 SER N N 65 115.837 112.442 3.395 1
1 649 . 14 1 1 A 66 66 GLY H H 66 7.876 7.945 -0.069 1
1 650 . 14 1 1 A 66 66 GLY HA2 H 66 4.284 3.814 0.470 1
1 651 . 14 1 1 A 66 66 GLY HA3 H 66 3.679 3.922 -0.243 1
1 652 . 14 1 1 A 66 66 GLY C C 66 174.550 174.271 0.279 1
1 653 . 14 1 1 A 66 66 GLY CA C 66 45.570 45.379 0.191 1
1 654 . 14 1 1 A 66 66 GLY N N 66 109.151 109.735 -0.584 1
1 655 . 14 1 1 A 67 67 SER H H 67 8.416 7.440 0.976 1
1 656 . 14 1 1 A 67 67 SER HA H 67 4.583 4.363 0.220 1
1 659 . 14 1 1 A 67 67 SER C C 67 173.680 173.787 -0.107 1
1 660 . 14 1 1 A 67 67 SER CA C 67 58.070 59.450 -1.380 1
1 661 . 14 1 1 A 67 67 SER CB C 67 63.300 63.322 -0.022 1
1 662 . 14 1 1 A 67 67 SER N N 67 119.156 116.395 2.761 1
1 663 . 14 1 1 A 68 68 LYS H H 68 8.880 8.929 -0.049 1
1 664 . 14 1 1 A 68 68 LYS HA H 68 3.233 4.543 -1.310 1
1 671 . 14 1 1 A 68 68 LYS C C 68 176.440 176.702 -0.262 1
1 672 . 14 1 1 A 68 68 LYS CA C 68 57.920 55.941 1.979 1
1 673 . 14 1 1 A 68 68 LYS CB C 68 31.822 31.872 -0.050 1
1 677 . 14 1 1 A 68 68 LYS N N 68 128.005 127.551 0.454 1
1 678 . 14 1 1 A 69 69 VAL H H 69 9.215 8.140 1.075 1
1 679 . 14 1 1 A 69 69 VAL HA H 69 4.185 4.538 -0.353 1
1 687 . 14 1 1 A 69 69 VAL C C 69 176.170 175.591 0.579 1
1 688 . 14 1 1 A 69 69 VAL CA C 69 62.860 60.861 1.999 1
1 689 . 14 1 1 A 69 69 VAL CB C 69 33.660 31.547 2.113 1
1 692 . 14 1 1 A 69 69 VAL N N 69 126.574 120.960 5.614 1
1 693 . 14 1 1 A 70 70 ALA H H 70 7.647 7.346 0.301 1
1 694 . 14 1 1 A 70 70 ALA HA H 70 4.614 4.156 0.458 1
1 698 . 14 1 1 A 70 70 ALA C C 70 175.170 176.570 -1.400 1
1 699 . 14 1 1 A 70 70 ALA CA C 70 52.400 51.679 0.721 1
1 700 . 14 1 1 A 70 70 ALA CB C 70 23.350 18.233 5.117 1
1 701 . 14 1 1 A 70 70 ALA N N 70 118.268 126.193 -7.925 1
1 702 . 14 1 1 A 71 71 VAL H H 71 8.428 7.894 0.534 1
1 703 . 14 1 1 A 71 71 VAL HA H 71 4.216 4.699 -0.483 1
1 711 . 14 1 1 A 71 71 VAL C C 71 175.810 173.552 2.258 1
1 712 . 14 1 1 A 71 71 VAL CA C 71 62.380 60.279 2.101 1
1 713 . 14 1 1 A 71 71 VAL CB C 71 33.120 34.894 -1.774 1
1 716 . 14 1 1 A 71 71 VAL N N 71 119.624 121.796 -2.172 1
1 717 . 14 1 1 A 72 72 LEU H H 72 8.333 8.484 -0.151 1
1 718 . 14 1 1 A 72 72 LEU HA H 72 3.882 4.624 -0.742 1
1 728 . 14 1 1 A 72 72 LEU C C 72 176.580 175.780 0.800 1
1 729 . 14 1 1 A 72 72 LEU CA C 72 54.600 54.235 0.365 1
1 730 . 14 1 1 A 72 72 LEU CB C 72 37.880 45.162 -7.282 1
1 734 . 14 1 1 A 72 72 LEU N N 72 130.241 129.790 0.451 1
1 735 . 14 1 1 A 73 73 SER H H 73 7.865 8.547 -0.682 1
1 736 . 14 1 1 A 73 73 SER HA H 73 4.304 4.616 -0.312 1
1 739 . 14 1 1 A 73 73 SER C C 73 173.470 174.554 -1.084 1
1 740 . 14 1 1 A 73 73 SER CA C 73 59.400 58.896 0.504 1
1 741 . 14 1 1 A 73 73 SER CB C 73 64.230 65.398 -1.168 1
1 742 . 14 1 1 A 73 73 SER N N 73 116.577 122.259 -5.682 1
1 743 . 14 1 1 A 74 74 ASP H H 74 7.553 8.077 -0.524 1
1 744 . 14 1 1 A 74 74 ASP HA H 74 4.858 4.805 0.053 1
1 747 . 14 1 1 A 74 74 ASP C C 74 175.910 176.147 -0.237 1
1 748 . 14 1 1 A 74 74 ASP CA C 74 53.057 53.416 -0.359 1
1 749 . 14 1 1 A 74 74 ASP CB C 74 41.720 40.233 1.487 1
1 750 . 14 1 1 A 74 74 ASP N N 74 120.482 118.116 2.366 1
1 751 . 14 1 1 A 75 75 ASP H H 75 8.601 8.325 0.276 1
1 752 . 14 1 1 A 75 75 ASP HA H 75 4.375 4.278 0.097 1
1 755 . 14 1 1 A 75 75 ASP C C 75 176.590 177.679 -1.089 1
1 756 . 14 1 1 A 75 75 ASP CA C 75 56.760 57.285 -0.525 1
1 757 . 14 1 1 A 75 75 ASP CB C 75 41.310 40.658 0.652 1
1 758 . 14 1 1 A 75 75 ASP N N 75 125.434 123.143 2.291 1
1 759 . 14 1 1 A 76 76 SER H H 76 8.558 7.761 0.797 1
1 760 . 14 1 1 A 76 76 SER HA H 76 4.463 4.515 -0.052 1
1 763 . 14 1 1 A 76 76 SER C C 76 175.630 173.488 2.142 1
1 764 . 14 1 1 A 76 76 SER CA C 76 59.320 58.657 0.663 1
1 765 . 14 1 1 A 76 76 SER CB C 76 64.255 63.383 0.872 1
1 766 . 14 1 1 A 76 76 SER N N 76 112.502 109.878 2.624 1
1 767 . 14 1 1 A 77 77 ARG H H 77 7.381 7.374 0.007 1
1 768 . 14 1 1 A 77 77 ARG HA H 77 4.318 4.778 -0.460 1
1 775 . 14 1 1 A 77 77 ARG CA C 77 53.260 52.794 0.466 1
1 776 . 14 1 1 A 77 77 ARG CB C 77 30.880 31.882 -1.002 1
1 779 . 14 1 1 A 77 77 ARG N N 77 123.368 121.074 2.294 1
1 780 . 14 1 1 A 78 78 PRO HA H 78 4.697 4.726 -0.029 1
1 787 . 14 1 1 A 78 78 PRO C C 78 178.090 178.129 -0.039 1
1 788 . 14 1 1 A 78 78 PRO CA C 78 61.970 62.835 -0.865 1
1 789 . 14 1 1 A 78 78 PRO CB C 78 31.380 31.775 -0.395 1
1 792 . 14 1 1 A 79 79 LEU H H 79 9.260 9.279 -0.019 1
1 793 . 14 1 1 A 79 79 LEU HA H 79 4.099 4.175 -0.076 1
1 803 . 14 1 1 A 79 79 LEU C C 79 178.680 178.816 -0.136 1
1 804 . 14 1 1 A 79 79 LEU CA C 79 58.290 57.460 0.830 1
1 805 . 14 1 1 A 79 79 LEU CB C 79 42.160 42.219 -0.059 1
1 809 . 14 1 1 A 79 79 LEU N N 79 124.739 126.377 -1.638 1
1 810 . 14 1 1 A 80 80 GLY H H 80 9.611 8.130 1.481 1
1 811 . 14 1 1 A 80 80 GLY HA2 H 80 4.003 3.818 0.185 1
1 812 . 14 1 1 A 80 80 GLY HA3 H 80 3.683 3.828 -0.145 1
1 813 . 14 1 1 A 80 80 GLY C C 80 175.850 175.983 -0.133 1
1 814 . 14 1 1 A 80 80 GLY CA C 80 46.830 47.276 -0.446 1
1 815 . 14 1 1 A 80 80 GLY N N 80 102.276 107.164 -4.888 1
1 816 . 14 1 1 A 81 81 PHE H H 81 8.177 8.298 -0.121 1
1 817 . 14 1 1 A 81 81 PHE HA H 81 4.090 4.422 -0.332 1
1 822 . 14 1 1 A 81 81 PHE C C 81 175.810 177.429 -1.619 1
1 823 . 14 1 1 A 81 81 PHE CA C 81 60.560 58.596 1.964 1
1 824 . 14 1 1 A 81 81 PHE CB C 81 39.640 37.761 1.879 1
1 827 . 14 1 1 A 81 81 PHE N N 81 123.413 119.388 4.025 1
1 828 . 14 1 1 A 82 82 PHE H H 82 7.733 7.930 -0.197 1
1 829 . 14 1 1 A 82 82 PHE HA H 82 4.171 3.752 0.419 1
1 834 . 14 1 1 A 82 82 PHE C C 82 172.960 175.264 -2.304 1
1 835 . 14 1 1 A 82 82 PHE CA C 82 57.730 60.440 -2.710 1
1 836 . 14 1 1 A 82 82 PHE CB C 82 38.670 39.508 -0.838 1
1 839 . 14 1 1 A 82 82 PHE N N 82 114.781 121.360 -6.579 1
1 840 . 14 1 1 A 83 83 SER H H 83 7.541 7.990 -0.449 1
1 841 . 14 1 1 A 83 83 SER HA H 83 3.898 4.234 -0.336 1
1 844 . 14 1 1 A 83 83 SER CA C 83 57.980 58.562 -0.582 1
1 845 . 14 1 1 A 83 83 SER CB C 83 61.882 61.860 0.022 1
1 846 . 14 1 1 A 83 83 SER N N 83 108.622 113.078 -4.456 1
1 847 . 14 1 1 A 85 85 PHE HA H 85 4.447 4.023 0.424 1
1 854 . 14 1 1 A 85 85 PHE C C 85 173.640 175.993 -2.353 1
1 855 . 14 1 1 A 85 85 PHE CA C 85 55.600 61.540 -5.940 1
1 856 . 14 1 1 A 85 85 PHE CB C 85 42.180 39.616 2.564 1
1 861 . 14 1 1 A 86 86 ASP H H 86 8.469 7.433 1.036 1
1 862 . 14 1 1 A 86 86 ASP HA H 86 4.934 4.839 0.095 1
1 865 . 14 1 1 A 86 86 ASP C C 86 177.910 175.241 2.669 1
1 866 . 14 1 1 A 86 86 ASP CA C 86 55.927 55.621 0.306 1
1 867 . 14 1 1 A 86 86 ASP CB C 86 41.109 42.545 -1.436 1
1 868 . 14 1 1 A 86 86 ASP N N 86 119.276 117.201 2.075 1
1 869 . 14 1 1 A 87 87 GLY H H 87 9.163 7.826 1.337 1
1 870 . 14 1 1 A 87 87 GLY HA2 H 87 4.570 4.182 0.388 1
1 871 . 14 1 1 A 87 87 GLY HA3 H 87 3.701 4.198 -0.497 1
1 872 . 14 1 1 A 87 87 GLY C C 87 175.180 172.954 2.226 1
1 873 . 14 1 1 A 87 87 GLY CA C 87 45.540 44.791 0.749 1
1 874 . 14 1 1 A 87 87 GLY N N 87 109.579 104.732 4.847 1
1 875 . 14 1 1 A 88 88 PHE H H 88 8.270 8.981 -0.711 1
1 876 . 14 1 1 A 88 88 PHE HA H 88 4.653 4.818 -0.165 1
1 883 . 14 1 1 A 88 88 PHE C C 88 172.620 176.079 -3.459 1
1 884 . 14 1 1 A 88 88 PHE CA C 88 57.570 58.364 -0.794 1
1 885 . 14 1 1 A 88 88 PHE CB C 88 38.750 39.913 -1.163 1
1 890 . 14 1 1 A 88 88 PHE N N 88 121.300 125.379 -4.079 1
1 891 . 14 1 1 A 89 89 ARG H H 89 9.056 9.216 -0.160 1
1 892 . 14 1 1 A 89 89 ARG HA H 89 5.652 4.843 0.809 1
1 899 . 14 1 1 A 89 89 ARG C C 89 174.990 175.320 -0.330 1
1 900 . 14 1 1 A 89 89 ARG CA C 89 54.067 55.714 -1.647 1
1 901 . 14 1 1 A 89 89 ARG CB C 89 35.630 30.606 5.024 1
1 904 . 14 1 1 A 89 89 ARG N N 89 120.200 122.351 -2.151 1
1 905 . 14 1 1 A 90 90 LEU H H 90 9.487 8.818 0.669 1
1 906 . 14 1 1 A 90 90 LEU HA H 90 5.244 4.869 0.375 1
1 916 . 14 1 1 A 90 90 LEU C C 90 173.050 175.194 -2.144 1
1 917 . 14 1 1 A 90 90 LEU CA C 90 53.250 54.445 -1.195 1
1 918 . 14 1 1 A 90 90 LEU CB C 90 44.870 40.600 4.270 1
1 922 . 14 1 1 A 90 90 LEU N N 90 128.373 127.289 1.084 1
1 923 . 14 1 1 A 91 91 HIS H H 91 9.474 8.807 0.667 1
1 924 . 14 1 1 A 91 91 HIS HA H 91 5.357 5.189 0.168 1
1 929 . 14 1 1 A 91 91 HIS C C 91 173.870 173.649 0.221 1
1 930 . 14 1 1 A 91 91 HIS CA C 91 54.320 54.570 -0.250 1
1 931 . 14 1 1 A 91 91 HIS CB C 91 36.070 30.529 5.541 1
1 934 . 14 1 1 A 91 91 HIS N N 91 125.565 125.364 0.201 1
1 935 . 14 1 1 A 92 92 ILE H H 92 8.341 8.272 0.069 1
1 936 . 14 1 1 A 92 92 ILE HA H 92 4.045 3.995 0.050 1
1 946 . 14 1 1 A 92 92 ILE C C 92 173.350 175.508 -2.158 1
1 947 . 14 1 1 A 92 92 ILE CA C 92 61.380 62.048 -0.668 1
1 948 . 14 1 1 A 92 92 ILE CB C 92 40.040 37.251 2.789 1
1 952 . 14 1 1 A 92 92 ILE N N 92 126.939 128.714 -1.775 1
1 953 . 14 1 1 A 93 93 ILE H H 93 8.754 8.900 -0.146 1
1 954 . 14 1 1 A 93 93 ILE HA H 93 3.744 4.359 -0.615 1
1 964 . 14 1 1 A 93 93 ILE C C 93 174.450 174.976 -0.526 1
1 965 . 14 1 1 A 93 93 ILE CA C 93 60.480 60.801 -0.321 1
1 966 . 14 1 1 A 93 93 ILE CB C 93 41.250 37.256 3.994 1
1 970 . 14 1 1 A 93 93 ILE N N 93 126.486 129.219 -2.733 1
1 971 . 14 1 1 A 94 94 ASP H H 94 7.976 8.960 -0.984 1
1 972 . 14 1 1 A 94 94 ASP HA H 94 4.881 4.724 0.157 1
1 975 . 14 1 1 A 94 94 ASP C C 94 176.710 176.152 0.558 1
1 976 . 14 1 1 A 94 94 ASP CA C 94 52.170 53.826 -1.656 1
1 977 . 14 1 1 A 94 94 ASP CB C 94 42.000 39.150 2.850 1
1 978 . 14 1 1 A 94 94 ASP N N 94 124.752 129.232 -4.480 1
1 979 . 14 1 1 A 95 95 LEU H H 95 9.218 8.574 0.644 1
1 980 . 14 1 1 A 95 95 LEU HA H 95 4.111 4.585 -0.474 1
1 990 . 14 1 1 A 95 95 LEU C C 95 177.230 176.204 1.026 1
1 991 . 14 1 1 A 95 95 LEU CA C 95 55.553 55.025 0.528 1
1 992 . 14 1 1 A 95 95 LEU CB C 95 42.380 41.644 0.736 1
1 996 . 14 1 1 A 95 95 LEU N N 95 126.286 125.606 0.680 1
1 997 . 14 1 1 A 96 96 ASP H H 96 8.762 7.669 1.093 1
1 998 . 14 1 1 A 96 96 ASP HA H 96 4.946 5.053 -0.107 1
1 1001 . 14 1 1 A 96 96 ASP CA C 96 52.598 50.632 1.966 1
1 1002 . 14 1 1 A 96 96 ASP CB C 96 41.400 42.080 -0.680 1
1 1 . 15 1 1 A 10 10 HIS HA H 10 4.439 4.391 0.048 1
1 4 . 15 1 1 A 10 10 HIS CA C 10 55.740 57.403 -1.663 1
1 5 . 15 1 1 A 10 10 HIS CB C 10 32.490 29.844 2.646 1
1 6 . 15 1 1 A 11 11 GLY H H 11 8.463 8.435 0.028 1
1 7 . 15 1 1 A 11 11 GLY HA2 H 11 3.930 3.883 0.047 1
1 8 . 15 1 1 A 11 11 GLY HA3 H 11 3.989 3.920 0.069 1
1 9 . 15 1 1 A 11 11 GLY C C 11 173.720 174.511 -0.791 1
1 10 . 15 1 1 A 11 11 GLY CA C 11 45.450 45.380 0.070 1
1 11 . 15 1 1 A 11 11 GLY N N 11 110.200 113.102 -2.902 1
1 12 . 15 1 1 A 12 12 ASP H H 12 8.174 7.980 0.194 1
1 13 . 15 1 1 A 12 12 ASP HA H 12 4.656 4.283 0.373 1
1 16 . 15 1 1 A 12 12 ASP C C 12 174.950 174.757 0.193 1
1 17 . 15 1 1 A 12 12 ASP CA C 12 54.140 55.025 -0.885 1
1 18 . 15 1 1 A 12 12 ASP CB C 12 41.370 39.669 1.701 1
1 19 . 15 1 1 A 12 12 ASP N N 12 120.300 120.093 0.207 1
1 20 . 15 1 1 A 13 13 ASP H H 13 8.405 8.211 0.194 1
1 21 . 15 1 1 A 13 13 ASP HA H 13 4.630 4.713 -0.083 1
1 24 . 15 1 1 A 13 13 ASP C C 13 176.040 175.048 0.992 1
1 25 . 15 1 1 A 13 13 ASP CA C 13 53.910 53.615 0.295 1
1 26 . 15 1 1 A 13 13 ASP CB C 13 40.840 39.138 1.702 1
1 27 . 15 1 1 A 13 13 ASP N N 13 121.700 119.288 2.412 1
1 28 . 15 1 1 A 14 14 SER H H 14 8.120 8.152 -0.032 1
1 29 . 15 1 1 A 14 14 SER HA H 14 4.570 4.873 -0.303 1
1 32 . 15 1 1 A 14 14 SER C C 14 173.350 172.066 1.284 1
1 33 . 15 1 1 A 14 14 SER CA C 14 59.250 57.702 1.548 1
1 34 . 15 1 1 A 14 14 SER CB C 14 64.956 67.511 -2.555 1
1 35 . 15 1 1 A 14 14 SER N N 14 114.400 119.269 -4.869 1
1 36 . 15 1 1 A 15 15 VAL H H 15 8.859 8.464 0.395 1
1 37 . 15 1 1 A 15 15 VAL HA H 15 4.754 4.442 0.312 1
1 45 . 15 1 1 A 15 15 VAL C C 15 174.290 174.763 -0.473 1
1 46 . 15 1 1 A 15 15 VAL CA C 15 59.546 60.965 -1.419 1
1 47 . 15 1 1 A 15 15 VAL CB C 15 34.830 33.155 1.675 1
1 50 . 15 1 1 A 15 15 VAL N N 15 118.659 118.565 0.094 1
1 51 . 15 1 1 A 16 16 HIS H H 16 9.376 9.063 0.313 1
1 52 . 15 1 1 A 16 16 HIS HA H 16 5.030 4.711 0.319 1
1 56 . 15 1 1 A 16 16 HIS C C 16 173.700 174.207 -0.507 1
1 57 . 15 1 1 A 16 16 HIS CA C 16 54.914 55.220 -0.306 1
1 58 . 15 1 1 A 16 16 HIS CB C 16 30.300 28.394 1.906 1
1 60 . 15 1 1 A 16 16 HIS N N 16 126.974 124.659 2.315 1
1 61 . 15 1 1 A 17 17 LEU H H 17 8.888 8.370 0.518 1
1 62 . 15 1 1 A 17 17 LEU HA H 17 5.100 4.901 0.199 1
1 72 . 15 1 1 A 17 17 LEU C C 17 175.750 176.109 -0.359 1
1 73 . 15 1 1 A 17 17 LEU CA C 17 53.160 53.948 -0.788 1
1 74 . 15 1 1 A 17 17 LEU CB C 17 44.890 42.070 2.820 1
1 78 . 15 1 1 A 17 17 LEU N N 17 126.426 125.125 1.301 1
1 79 . 15 1 1 A 18 18 HIS H H 18 8.610 8.963 -0.353 1
1 80 . 15 1 1 A 18 18 HIS HA H 18 5.191 4.903 0.288 1
1 84 . 15 1 1 A 18 18 HIS C C 18 174.120 175.049 -0.929 1
1 85 . 15 1 1 A 18 18 HIS CA C 18 55.120 55.753 -0.633 1
1 86 . 15 1 1 A 18 18 HIS CB C 18 31.000 30.685 0.315 1
1 88 . 15 1 1 A 18 18 HIS N N 18 120.309 124.330 -4.021 1
1 89 . 15 1 1 A 19 19 ILE H H 19 9.050 8.687 0.363 1
1 90 . 15 1 1 A 19 19 ILE HA H 19 5.704 4.454 1.250 1
1 100 . 15 1 1 A 19 19 ILE C C 19 175.890 175.721 0.169 1
1 101 . 15 1 1 A 19 19 ILE CA C 19 60.250 61.591 -1.341 1
1 102 . 15 1 1 A 19 19 ILE CB C 19 40.500 37.765 2.735 1
1 106 . 15 1 1 A 19 19 ILE N N 19 123.672 124.771 -1.099 1
1 107 . 15 1 1 A 20 20 THR H H 20 9.224 9.569 -0.345 1
1 108 . 15 1 1 A 20 20 THR HA H 20 4.970 4.838 0.132 1
1 110 . 15 1 1 A 20 20 THR C C 20 172.920 173.658 -0.738 1
1 111 . 15 1 1 A 20 20 THR CA C 20 60.960 62.180 -1.220 1
1 112 . 15 1 1 A 20 20 THR CB C 20 71.732 69.337 2.395 1
1 114 . 15 1 1 A 20 20 THR N N 20 117.905 123.723 -5.818 1
1 115 . 15 1 1 A 21 21 HIS H H 21 9.755 9.020 0.735 1
1 116 . 15 1 1 A 21 21 HIS HA H 21 5.053 4.641 0.412 1
1 121 . 15 1 1 A 21 21 HIS C C 21 175.830 175.842 -0.012 1
1 122 . 15 1 1 A 21 21 HIS CA C 21 55.561 56.759 -1.198 1
1 123 . 15 1 1 A 21 21 HIS CB C 21 36.450 31.081 5.369 1
1 126 . 15 1 1 A 21 21 HIS N N 21 122.170 127.143 -4.973 1
1 127 . 15 1 1 A 22 22 ALA H H 22 9.098 8.596 0.502 1
1 128 . 15 1 1 A 22 22 ALA HA H 22 4.116 4.055 0.061 1
1 132 . 15 1 1 A 22 22 ALA C C 22 178.340 179.642 -1.302 1
1 133 . 15 1 1 A 22 22 ALA CA C 22 54.670 55.458 -0.788 1
1 134 . 15 1 1 A 22 22 ALA CB C 22 20.870 18.713 2.157 1
1 135 . 15 1 1 A 22 22 ALA N N 22 128.332 128.665 -0.333 1
1 136 . 15 1 1 A 23 23 ASN H H 23 10.395 8.500 1.895 1
1 137 . 15 1 1 A 23 23 ASN HA H 23 5.066 4.421 0.645 1
1 142 . 15 1 1 A 23 23 ASN C C 23 175.090 176.382 -1.292 1
1 143 . 15 1 1 A 23 23 ASN CA C 23 53.649 56.442 -2.793 1
1 144 . 15 1 1 A 23 23 ASN CB C 23 41.160 38.191 2.969 1
1 145 . 15 1 1 A 23 23 ASN N N 23 116.400 117.184 -0.784 1
1 147 . 15 1 1 A 24 24 LEU H H 24 7.752 7.493 0.259 1
1 148 . 15 1 1 A 24 24 LEU HA H 24 4.637 4.595 0.042 1
1 157 . 15 1 1 A 24 24 LEU C C 24 176.810 177.860 -1.050 1
1 158 . 15 1 1 A 24 24 LEU CA C 24 53.380 54.433 -1.053 1
1 159 . 15 1 1 A 24 24 LEU CB C 24 41.630 40.461 1.169 1
1 162 . 15 1 1 A 24 24 LEU N N 24 122.870 119.518 3.352 1
1 163 . 15 1 1 A 25 25 LYS H H 25 8.491 8.499 -0.008 1
1 164 . 15 1 1 A 25 25 LYS HA H 25 4.196 4.123 0.073 1
1 171 . 15 1 1 A 25 25 LYS C C 25 177.530 177.018 0.512 1
1 172 . 15 1 1 A 25 25 LYS CA C 25 59.270 59.121 0.149 1
1 173 . 15 1 1 A 25 25 LYS CB C 25 32.300 32.100 0.200 1
1 177 . 15 1 1 A 25 25 LYS N N 25 124.310 124.379 -0.069 1
1 178 . 15 1 1 A 26 26 SER H H 26 8.512 7.828 0.684 1
1 179 . 15 1 1 A 26 26 SER HA H 26 4.513 4.708 -0.195 1
1 182 . 15 1 1 A 26 26 SER C C 26 174.090 172.972 1.118 1
1 183 . 15 1 1 A 26 26 SER CA C 26 58.200 57.829 0.371 1
1 184 . 15 1 1 A 26 26 SER CB C 26 63.487 61.641 1.846 1
1 185 . 15 1 1 A 26 26 SER N N 26 111.482 113.970 -2.488 1
1 186 . 15 1 1 A 27 27 PHE H H 27 7.723 8.753 -1.030 1
1 187 . 15 1 1 A 27 27 PHE HA H 27 4.463 4.983 -0.520 1
1 194 . 15 1 1 A 27 27 PHE C C 27 175.270 173.978 1.292 1
1 195 . 15 1 1 A 27 27 PHE CA C 27 59.290 56.263 3.027 1
1 196 . 15 1 1 A 27 27 PHE CB C 27 40.440 39.627 0.813 1
1 201 . 15 1 1 A 27 27 PHE N N 27 123.451 127.746 -4.295 1
1 202 . 15 1 1 A 28 28 SER H H 28 7.702 8.776 -1.074 1
1 203 . 15 1 1 A 28 28 SER HA H 28 4.630 4.681 -0.051 1
1 206 . 15 1 1 A 28 28 SER C C 28 172.060 172.989 -0.929 1
1 207 . 15 1 1 A 28 28 SER CA C 28 57.700 57.904 -0.204 1
1 208 . 15 1 1 A 28 28 SER CB C 28 64.600 61.219 3.381 1
1 209 . 15 1 1 A 28 28 SER N N 28 123.039 123.589 -0.550 1
1 210 . 15 1 1 A 29 29 ALA H H 29 8.154 7.798 0.356 1
1 211 . 15 1 1 A 29 29 ALA HA H 29 4.655 4.816 -0.161 1
1 215 . 15 1 1 A 29 29 ALA C C 29 174.090 175.797 -1.707 1
1 216 . 15 1 1 A 29 29 ALA CA C 29 51.300 51.718 -0.418 1
1 217 . 15 1 1 A 29 29 ALA CB C 29 22.900 20.679 2.221 1
1 218 . 15 1 1 A 29 29 ALA N N 29 124.700 126.481 -1.781 1
1 219 . 15 1 1 A 30 30 ASP H H 30 8.395 8.669 -0.274 1
1 220 . 15 1 1 A 30 30 ASP HA H 30 5.532 5.275 0.257 1
1 223 . 15 1 1 A 30 30 ASP C C 30 174.320 174.941 -0.621 1
1 224 . 15 1 1 A 30 30 ASP CA C 30 53.870 52.812 1.058 1
1 225 . 15 1 1 A 30 30 ASP CB C 30 44.420 41.725 2.695 1
1 226 . 15 1 1 A 30 30 ASP N N 30 117.900 122.865 -4.965 1
1 227 . 15 1 1 A 31 31 ALA H H 31 8.866 9.363 -0.497 1
1 228 . 15 1 1 A 31 31 ALA HA H 31 4.554 4.316 0.238 1
1 232 . 15 1 1 A 31 31 ALA C C 31 174.240 176.547 -2.307 1
1 233 . 15 1 1 A 31 31 ALA CA C 31 51.710 51.553 0.157 1
1 234 . 15 1 1 A 31 31 ALA CB C 31 22.710 18.489 4.221 1
1 235 . 15 1 1 A 31 31 ALA N N 31 121.463 125.689 -4.226 1
1 236 . 15 1 1 A 32 32 ARG H H 32 8.056 7.685 0.371 1
1 237 . 15 1 1 A 32 32 ARG HA H 32 5.232 5.272 -0.040 1
1 244 . 15 1 1 A 32 32 ARG C C 32 175.610 175.358 0.252 1
1 245 . 15 1 1 A 32 32 ARG CA C 32 54.780 55.508 -0.728 1
1 246 . 15 1 1 A 32 32 ARG CB C 32 31.840 30.594 1.246 1
1 249 . 15 1 1 A 32 32 ARG N N 32 119.065 120.910 -1.845 1
1 250 . 15 1 1 A 33 33 PHE H H 33 8.787 8.567 0.220 1
1 251 . 15 1 1 A 33 33 PHE HA H 33 4.900 4.993 -0.093 1
1 258 . 15 1 1 A 33 33 PHE C C 33 175.050 175.681 -0.631 1
1 259 . 15 1 1 A 33 33 PHE CA C 33 55.790 56.708 -0.918 1
1 260 . 15 1 1 A 33 33 PHE CB C 33 43.300 42.781 0.519 1
1 265 . 15 1 1 A 33 33 PHE N N 33 119.356 121.892 -2.536 1
1 266 . 15 1 1 A 34 34 SER H H 34 8.361 8.696 -0.335 1
1 267 . 15 1 1 A 34 34 SER HA H 34 4.910 4.513 0.397 1
1 268 . 15 1 1 A 34 34 SER CA C 34 55.270 57.570 -2.300 1
1 269 . 15 1 1 A 34 34 SER CB C 34 64.310 63.076 1.234 1
1 270 . 15 1 1 A 34 34 SER N N 34 118.000 118.988 -0.988 1
1 271 . 15 1 1 A 35 35 PRO HA H 35 4.183 4.541 -0.358 1
1 278 . 15 1 1 A 35 35 PRO C C 35 176.460 177.806 -1.346 1
1 279 . 15 1 1 A 35 35 PRO CA C 35 64.120 64.530 -0.410 1
1 280 . 15 1 1 A 35 35 PRO CB C 35 32.140 31.785 0.355 1
1 283 . 15 1 1 A 36 36 GLN H H 36 8.013 8.423 -0.410 1
1 284 . 15 1 1 A 36 36 GLN HA H 36 4.278 4.409 -0.131 1
1 291 . 15 1 1 A 36 36 GLN C C 36 176.630 175.583 1.047 1
1 292 . 15 1 1 A 36 36 GLN CA C 36 56.600 56.323 0.277 1
1 293 . 15 1 1 A 36 36 GLN CB C 36 29.380 29.190 0.190 1
1 295 . 15 1 1 A 36 36 GLN N N 36 114.700 116.663 -1.963 1
1 297 . 15 1 1 A 37 37 MET H H 37 7.628 7.830 -0.202 1
1 298 . 15 1 1 A 37 37 MET HA H 37 4.314 4.526 -0.212 1
1 303 . 15 1 1 A 37 37 MET C C 37 174.480 175.617 -1.137 1
1 304 . 15 1 1 A 37 37 MET CA C 37 56.260 55.111 1.149 1
1 305 . 15 1 1 A 37 37 MET CB C 37 34.890 33.628 1.262 1
1 307 . 15 1 1 A 37 37 MET N N 37 120.895 122.478 -1.583 1
1 308 . 15 1 1 A 38 38 SER H H 38 8.740 8.605 0.135 1
1 309 . 15 1 1 A 38 38 SER HA H 38 4.650 4.947 -0.297 1
1 312 . 15 1 1 A 38 38 SER C C 38 175.320 175.553 -0.233 1
1 313 . 15 1 1 A 38 38 SER CA C 38 57.555 56.219 1.336 1
1 314 . 15 1 1 A 38 38 SER CB C 38 64.800 66.281 -1.481 1
1 315 . 15 1 1 A 38 38 SER N N 38 119.800 116.633 3.167 1
1 316 . 15 1 1 A 39 39 VAL H H 39 8.619 8.611 0.008 1
1 317 . 15 1 1 A 39 39 VAL HA H 39 3.405 3.901 -0.496 1
1 325 . 15 1 1 A 39 39 VAL C C 39 177.950 177.028 0.922 1
1 326 . 15 1 1 A 39 39 VAL CA C 39 68.010 64.689 3.321 1
1 327 . 15 1 1 A 39 39 VAL CB C 39 31.830 31.829 0.001 1
1 330 . 15 1 1 A 39 39 VAL N N 39 122.324 121.701 0.623 1
1 331 . 15 1 1 A 40 40 GLU H H 40 8.737 7.699 1.038 1
1 332 . 15 1 1 A 40 40 GLU HA H 40 3.743 3.922 -0.179 1
1 337 . 15 1 1 A 40 40 GLU C C 40 177.450 178.243 -0.793 1
1 338 . 15 1 1 A 40 40 GLU CA C 40 60.570 59.449 1.121 1
1 339 . 15 1 1 A 40 40 GLU CB C 40 30.000 29.355 0.645 1
1 341 . 15 1 1 A 40 40 GLU N N 40 120.358 121.861 -1.503 1
1 342 . 15 1 1 A 41 41 ALA H H 41 8.056 7.484 0.572 1
1 343 . 15 1 1 A 41 41 ALA HA H 41 4.275 4.157 0.118 1
1 347 . 15 1 1 A 41 41 ALA C C 41 181.560 177.807 3.753 1
1 348 . 15 1 1 A 41 41 ALA CA C 41 55.080 53.187 1.893 1
1 349 . 15 1 1 A 41 41 ALA CB C 41 18.570 17.936 0.634 1
1 350 . 15 1 1 A 41 41 ALA N N 41 123.045 121.035 2.010 1
1 351 . 15 1 1 A 42 42 VAL H H 42 8.519 7.514 1.005 1
1 352 . 15 1 1 A 42 42 VAL HA H 42 3.456 4.324 -0.868 1
1 360 . 15 1 1 A 42 42 VAL C C 42 177.950 177.465 0.485 1
1 361 . 15 1 1 A 42 42 VAL CA C 42 67.440 61.722 5.718 1
1 362 . 15 1 1 A 42 42 VAL CB C 42 31.370 34.038 -2.668 1
1 365 . 15 1 1 A 42 42 VAL N N 42 122.576 117.108 5.468 1
1 366 . 15 1 1 A 43 43 LYS H H 43 8.660 7.763 0.897 1
1 367 . 15 1 1 A 43 43 LYS HA H 43 3.905 3.926 -0.021 1
1 374 . 15 1 1 A 43 43 LYS C C 43 178.490 178.992 -0.502 1
1 375 . 15 1 1 A 43 43 LYS CA C 43 61.080 60.069 1.011 1
1 376 . 15 1 1 A 43 43 LYS CB C 43 33.450 32.260 1.190 1
1 380 . 15 1 1 A 43 43 LYS N N 43 118.752 122.240 -3.488 1
1 381 . 15 1 1 A 44 44 GLU H H 44 8.109 8.014 0.095 1
1 382 . 15 1 1 A 44 44 GLU HA H 44 4.100 4.160 -0.060 1
1 387 . 15 1 1 A 44 44 GLU C C 44 178.760 178.756 0.004 1
1 388 . 15 1 1 A 44 44 GLU CA C 44 60.560 59.191 1.369 1
1 389 . 15 1 1 A 44 44 GLU CB C 44 29.700 29.029 0.671 1
1 391 . 15 1 1 A 44 44 GLU N N 44 118.904 119.560 -0.656 1
1 392 . 15 1 1 A 45 45 LYS H H 45 7.868 7.847 0.021 1
1 393 . 15 1 1 A 45 45 LYS HA H 45 4.147 4.185 -0.038 1
1 400 . 15 1 1 A 45 45 LYS C C 45 180.020 179.281 0.739 1
1 401 . 15 1 1 A 45 45 LYS CA C 45 59.210 59.283 -0.073 1
1 402 . 15 1 1 A 45 45 LYS CB C 45 32.540 32.414 0.126 1
1 406 . 15 1 1 A 45 45 LYS N N 45 118.353 119.660 -1.307 1
1 407 . 15 1 1 A 46 46 LEU H H 46 8.538 7.998 0.540 1
1 408 . 15 1 1 A 46 46 LEU HA H 46 4.147 4.119 0.028 1
1 418 . 15 1 1 A 46 46 LEU C C 46 179.950 179.176 0.774 1
1 419 . 15 1 1 A 46 46 LEU CA C 46 57.900 57.558 0.342 1
1 420 . 15 1 1 A 46 46 LEU CB C 46 40.800 41.825 -1.025 1
1 424 . 15 1 1 A 46 46 LEU N N 46 118.568 119.103 -0.535 1
1 425 . 15 1 1 A 47 47 TRP H H 47 9.308 8.071 1.237 1
1 426 . 15 1 1 A 47 47 TRP HA H 47 4.636 4.251 0.385 1
1 435 . 15 1 1 A 47 47 TRP C C 47 179.040 178.514 0.526 1
1 436 . 15 1 1 A 47 47 TRP CA C 47 60.312 60.367 -0.055 1
1 437 . 15 1 1 A 47 47 TRP CB C 47 28.080 29.598 -1.518 1
1 443 . 15 1 1 A 47 47 TRP N N 47 127.808 121.275 6.533 1
1 445 . 15 1 1 A 48 48 LYS H H 48 7.362 8.330 -0.968 1
1 446 . 15 1 1 A 48 48 LYS HA H 48 3.238 3.654 -0.416 1
1 453 . 15 1 1 A 48 48 LYS C C 48 177.660 178.451 -0.791 1
1 454 . 15 1 1 A 48 48 LYS CA C 48 58.360 57.959 0.401 1
1 455 . 15 1 1 A 48 48 LYS CB C 48 32.090 32.156 -0.066 1
1 459 . 15 1 1 A 48 48 LYS N N 48 118.583 118.367 0.216 1
1 460 . 15 1 1 A 49 49 LYS H H 49 7.339 7.844 -0.505 1
1 461 . 15 1 1 A 49 49 LYS HA H 49 4.388 4.142 0.246 1
1 468 . 15 1 1 A 49 49 LYS C C 49 177.120 178.126 -1.006 1
1 469 . 15 1 1 A 49 49 LYS CA C 49 57.469 58.627 -1.158 1
1 470 . 15 1 1 A 49 49 LYS CB C 49 33.990 33.165 0.825 1
1 474 . 15 1 1 A 49 49 LYS N N 49 114.530 119.571 -5.041 1
1 475 . 15 1 1 A 50 50 CYS H H 50 8.092 7.519 0.573 1
1 476 . 15 1 1 A 50 50 CYS HA H 50 4.880 4.521 0.359 1
1 479 . 15 1 1 A 50 50 CYS C C 50 174.560 174.340 0.220 1
1 480 . 15 1 1 A 50 50 CYS CA C 50 57.213 59.265 -2.052 1
1 481 . 15 1 1 A 50 50 CYS CB C 50 31.470 28.634 2.836 1
1 482 . 15 1 1 A 50 50 CYS N N 50 110.536 114.837 -4.301 1
1 483 . 15 1 1 A 51 51 GLY H H 51 8.644 7.665 0.979 1
1 484 . 15 1 1 A 51 51 GLY HA2 H 51 4.248 3.506 0.742 1
1 485 . 15 1 1 A 51 51 GLY HA3 H 51 3.650 3.744 -0.094 1
1 486 . 15 1 1 A 51 51 GLY C C 51 173.800 173.648 0.152 1
1 487 . 15 1 1 A 51 51 GLY CA C 51 46.390 46.578 -0.188 1
1 488 . 15 1 1 A 51 51 GLY N N 51 113.666 110.665 3.001 1
1 489 . 15 1 1 A 52 52 THR H H 52 7.781 7.635 0.146 1
1 490 . 15 1 1 A 52 52 THR HA H 52 4.277 4.997 -0.720 1
1 495 . 15 1 1 A 52 52 THR C C 52 172.080 172.721 -0.641 1
1 496 . 15 1 1 A 52 52 THR CA C 52 63.630 59.781 3.849 1
1 497 . 15 1 1 A 52 52 THR CB C 52 69.720 72.081 -2.361 1
1 499 . 15 1 1 A 52 52 THR N N 52 121.643 113.260 8.383 1
1 500 . 15 1 1 A 53 53 SER H H 53 8.606 8.910 -0.304 1
1 501 . 15 1 1 A 53 53 SER HA H 53 3.775 4.810 -1.035 1
1 504 . 15 1 1 A 53 53 SER C C 53 175.890 175.911 -0.021 1
1 505 . 15 1 1 A 53 53 SER CA C 53 58.590 58.184 0.406 1
1 506 . 15 1 1 A 53 53 SER CB C 53 63.620 64.691 -1.071 1
1 507 . 15 1 1 A 53 53 SER N N 53 120.903 121.376 -0.473 1
1 508 . 15 1 1 A 54 54 VAL H H 54 7.895 8.845 -0.950 1
1 509 . 15 1 1 A 54 54 VAL HA H 54 3.563 3.857 -0.294 1
1 517 . 15 1 1 A 54 54 VAL C C 54 178.260 177.455 0.805 1
1 518 . 15 1 1 A 54 54 VAL CA C 54 66.600 64.819 1.781 1
1 519 . 15 1 1 A 54 54 VAL CB C 54 31.630 31.428 0.202 1
1 522 . 15 1 1 A 54 54 VAL N N 54 121.121 124.236 -3.115 1
1 523 . 15 1 1 A 55 55 ASN H H 55 8.148 8.009 0.139 1
1 524 . 15 1 1 A 55 55 ASN HA H 55 4.496 4.523 -0.027 1
1 529 . 15 1 1 A 55 55 ASN C C 55 175.640 176.379 -0.739 1
1 530 . 15 1 1 A 55 55 ASN CA C 55 54.875 55.246 -0.371 1
1 531 . 15 1 1 A 55 55 ASN CB C 55 38.120 38.323 -0.203 1
1 532 . 15 1 1 A 55 55 ASN N N 55 115.018 120.446 -5.428 1
1 534 . 15 1 1 A 56 56 SER H H 56 7.559 8.024 -0.465 1
1 535 . 15 1 1 A 56 56 SER HA H 56 4.585 4.567 0.018 1
1 538 . 15 1 1 A 56 56 SER C C 56 171.180 173.670 -2.490 1
1 539 . 15 1 1 A 56 56 SER CA C 56 57.260 58.638 -1.378 1
1 540 . 15 1 1 A 56 56 SER CB C 56 64.260 64.035 0.225 1
1 541 . 15 1 1 A 56 56 SER N N 56 114.545 112.685 1.860 1
1 542 . 15 1 1 A 57 57 MET H H 57 7.177 7.672 -0.495 1
1 543 . 15 1 1 A 57 57 MET HA H 57 4.785 4.789 -0.004 1
1 548 . 15 1 1 A 57 57 MET C C 57 175.400 174.489 0.911 1
1 549 . 15 1 1 A 57 57 MET CA C 57 55.631 53.951 1.680 1
1 550 . 15 1 1 A 57 57 MET CB C 57 36.740 33.829 2.911 1
1 552 . 15 1 1 A 57 57 MET N N 57 120.883 121.278 -0.395 1
1 553 . 15 1 1 A 58 58 ALA H H 58 9.226 8.670 0.556 1
1 554 . 15 1 1 A 58 58 ALA HA H 58 4.723 4.538 0.185 1
1 558 . 15 1 1 A 58 58 ALA C C 58 175.360 176.445 -1.085 1
1 559 . 15 1 1 A 58 58 ALA CA C 58 50.327 51.987 -1.660 1
1 560 . 15 1 1 A 58 58 ALA CB C 58 21.580 18.852 2.728 1
1 561 . 15 1 1 A 58 58 ALA N N 58 129.559 129.726 -0.167 1
1 562 . 15 1 1 A 59 59 LEU H H 59 8.307 8.899 -0.592 1
1 563 . 15 1 1 A 59 59 LEU HA H 59 5.393 4.938 0.455 1
1 573 . 15 1 1 A 59 59 LEU C C 59 175.470 175.221 0.249 1
1 574 . 15 1 1 A 59 59 LEU CA C 59 52.970 53.489 -0.519 1
1 575 . 15 1 1 A 59 59 LEU CB C 59 47.410 42.940 4.470 1
1 579 . 15 1 1 A 59 59 LEU N N 59 118.793 124.815 -6.022 1
1 580 . 15 1 1 A 60 60 GLU H H 60 8.978 9.123 -0.145 1
1 581 . 15 1 1 A 60 60 GLU HA H 60 4.789 4.545 0.244 1
1 586 . 15 1 1 A 60 60 GLU C C 60 173.670 174.561 -0.891 1
1 587 . 15 1 1 A 60 60 GLU CA C 60 54.246 55.339 -1.093 1
1 588 . 15 1 1 A 60 60 GLU CB C 60 35.470 29.412 6.058 1
1 590 . 15 1 1 A 60 60 GLU N N 60 121.100 124.581 -3.481 1
1 591 . 15 1 1 A 61 61 LEU H H 61 8.651 8.725 -0.074 1
1 592 . 15 1 1 A 61 61 LEU HA H 61 5.541 4.896 0.645 1
1 602 . 15 1 1 A 61 61 LEU C C 61 174.270 174.725 -0.455 1
1 603 . 15 1 1 A 61 61 LEU CA C 61 53.120 54.071 -0.951 1
1 604 . 15 1 1 A 61 61 LEU CB C 61 46.890 42.777 4.113 1
1 608 . 15 1 1 A 61 61 LEU N N 61 122.689 128.154 -5.465 1
1 609 . 15 1 1 A 62 62 TYR H H 62 10.028 8.760 1.268 1
1 610 . 15 1 1 A 62 62 TYR HA H 62 5.096 5.046 0.050 1
1 617 . 15 1 1 A 62 62 TYR C C 62 175.180 177.054 -1.874 1
1 618 . 15 1 1 A 62 62 TYR CA C 62 56.520 58.166 -1.646 1
1 619 . 15 1 1 A 62 62 TYR CB C 62 42.520 40.515 2.005 1
1 624 . 15 1 1 A 62 62 TYR N N 62 126.875 126.224 0.651 1
1 625 . 15 1 1 A 63 63 ASP H H 63 8.573 9.390 -0.817 1
1 626 . 15 1 1 A 63 63 ASP HA H 63 2.824 4.936 -2.112 1
1 629 . 15 1 1 A 63 63 ASP C C 63 176.470 176.118 0.352 1
1 630 . 15 1 1 A 63 63 ASP CA C 63 51.490 57.053 -5.563 1
1 631 . 15 1 1 A 63 63 ASP CB C 63 41.490 40.909 0.581 1
1 632 . 15 1 1 A 63 63 ASP N N 63 118.563 122.022 -3.459 1
1 633 . 15 1 1 A 64 64 ASP H H 64 8.319 8.015 0.304 1
1 634 . 15 1 1 A 64 64 ASP HA H 64 4.396 4.892 -0.496 1
1 637 . 15 1 1 A 64 64 ASP C C 64 176.670 177.257 -0.587 1
1 638 . 15 1 1 A 64 64 ASP CA C 64 55.270 55.163 0.107 1
1 639 . 15 1 1 A 64 64 ASP CB C 64 39.540 43.579 -4.039 1
1 640 . 15 1 1 A 64 64 ASP N N 64 114.728 119.234 -4.506 1
1 641 . 15 1 1 A 65 65 SER H H 65 8.305 8.567 -0.262 1
1 642 . 15 1 1 A 65 65 SER HA H 65 4.640 4.348 0.292 1
1 645 . 15 1 1 A 65 65 SER C C 65 174.700 174.474 0.226 1
1 646 . 15 1 1 A 65 65 SER CA C 65 58.550 60.704 -2.154 1
1 647 . 15 1 1 A 65 65 SER CB C 65 64.393 63.360 1.033 1
1 648 . 15 1 1 A 65 65 SER N N 65 115.837 113.593 2.244 1
1 649 . 15 1 1 A 66 66 GLY H H 66 7.876 7.945 -0.069 1
1 650 . 15 1 1 A 66 66 GLY HA2 H 66 4.284 3.439 0.845 1
1 651 . 15 1 1 A 66 66 GLY HA3 H 66 3.679 3.781 -0.102 1
1 652 . 15 1 1 A 66 66 GLY C C 66 174.550 174.402 0.148 1
1 653 . 15 1 1 A 66 66 GLY CA C 66 45.570 44.940 0.630 1
1 654 . 15 1 1 A 66 66 GLY N N 66 109.151 108.465 0.686 1
1 655 . 15 1 1 A 67 67 SER H H 67 8.416 7.853 0.563 1
1 656 . 15 1 1 A 67 67 SER HA H 67 4.583 4.394 0.189 1
1 659 . 15 1 1 A 67 67 SER C C 67 173.680 174.043 -0.363 1
1 660 . 15 1 1 A 67 67 SER CA C 67 58.070 59.159 -1.089 1
1 661 . 15 1 1 A 67 67 SER CB C 67 63.300 63.758 -0.458 1
1 662 . 15 1 1 A 67 67 SER N N 67 119.156 118.373 0.783 1
1 663 . 15 1 1 A 68 68 LYS H H 68 8.880 8.458 0.422 1
1 664 . 15 1 1 A 68 68 LYS HA H 68 3.233 4.812 -1.579 1
1 671 . 15 1 1 A 68 68 LYS C C 68 176.440 177.050 -0.610 1
1 672 . 15 1 1 A 68 68 LYS CA C 68 57.920 56.559 1.361 1
1 673 . 15 1 1 A 68 68 LYS CB C 68 31.822 32.647 -0.825 1
1 677 . 15 1 1 A 68 68 LYS N N 68 128.005 125.588 2.417 1
1 678 . 15 1 1 A 69 69 VAL H H 69 9.215 8.531 0.684 1
1 679 . 15 1 1 A 69 69 VAL HA H 69 4.185 4.501 -0.316 1
1 687 . 15 1 1 A 69 69 VAL C C 69 176.170 175.671 0.499 1
1 688 . 15 1 1 A 69 69 VAL CA C 69 62.860 60.991 1.869 1
1 689 . 15 1 1 A 69 69 VAL CB C 69 33.660 31.565 2.095 1
1 692 . 15 1 1 A 69 69 VAL N N 69 126.574 119.374 7.200 1
1 693 . 15 1 1 A 70 70 ALA H H 70 7.647 7.639 0.008 1
1 694 . 15 1 1 A 70 70 ALA HA H 70 4.614 4.208 0.406 1
1 698 . 15 1 1 A 70 70 ALA C C 70 175.170 177.349 -2.179 1
1 699 . 15 1 1 A 70 70 ALA CA C 70 52.400 51.217 1.183 1
1 700 . 15 1 1 A 70 70 ALA CB C 70 23.350 17.261 6.089 1
1 701 . 15 1 1 A 70 70 ALA N N 70 118.268 126.301 -8.033 1
1 702 . 15 1 1 A 71 71 VAL H H 71 8.428 8.078 0.350 1
1 703 . 15 1 1 A 71 71 VAL HA H 71 4.216 3.792 0.424 1
1 711 . 15 1 1 A 71 71 VAL C C 71 175.810 175.650 0.160 1
1 712 . 15 1 1 A 71 71 VAL CA C 71 62.380 65.155 -2.775 1
1 713 . 15 1 1 A 71 71 VAL CB C 71 33.120 32.456 0.664 1
1 716 . 15 1 1 A 71 71 VAL N N 71 119.624 122.578 -2.954 1
1 717 . 15 1 1 A 72 72 LEU H H 72 8.333 7.948 0.385 1
1 718 . 15 1 1 A 72 72 LEU HA H 72 3.882 3.897 -0.015 1
1 728 . 15 1 1 A 72 72 LEU C C 72 176.580 176.605 -0.025 1
1 729 . 15 1 1 A 72 72 LEU CA C 72 54.600 55.562 -0.962 1
1 730 . 15 1 1 A 72 72 LEU CB C 72 37.880 40.565 -2.685 1
1 734 . 15 1 1 A 72 72 LEU N N 72 130.241 122.997 7.244 1
1 735 . 15 1 1 A 73 73 SER H H 73 7.865 7.941 -0.076 1
1 736 . 15 1 1 A 73 73 SER HA H 73 4.304 4.762 -0.458 1
1 739 . 15 1 1 A 73 73 SER C C 73 173.470 174.481 -1.011 1
1 740 . 15 1 1 A 73 73 SER CA C 73 59.400 57.535 1.865 1
1 741 . 15 1 1 A 73 73 SER CB C 73 64.230 64.915 -0.685 1
1 742 . 15 1 1 A 73 73 SER N N 73 116.577 116.772 -0.195 1
1 743 . 15 1 1 A 74 74 ASP H H 74 7.553 7.910 -0.357 1
1 744 . 15 1 1 A 74 74 ASP HA H 74 4.858 4.975 -0.117 1
1 747 . 15 1 1 A 74 74 ASP C C 74 175.910 176.124 -0.214 1
1 748 . 15 1 1 A 74 74 ASP CA C 74 53.057 53.737 -0.680 1
1 749 . 15 1 1 A 74 74 ASP CB C 74 41.720 41.464 0.256 1
1 750 . 15 1 1 A 74 74 ASP N N 74 120.482 120.091 0.391 1
1 751 . 15 1 1 A 75 75 ASP H H 75 8.601 8.416 0.185 1
1 752 . 15 1 1 A 75 75 ASP HA H 75 4.375 4.281 0.094 1
1 755 . 15 1 1 A 75 75 ASP C C 75 176.590 177.015 -0.425 1
1 756 . 15 1 1 A 75 75 ASP CA C 75 56.760 56.903 -0.143 1
1 757 . 15 1 1 A 75 75 ASP CB C 75 41.310 39.668 1.642 1
1 758 . 15 1 1 A 75 75 ASP N N 75 125.434 120.492 4.942 1
1 759 . 15 1 1 A 76 76 SER H H 76 8.558 7.826 0.732 1
1 760 . 15 1 1 A 76 76 SER HA H 76 4.463 4.523 -0.060 1
1 763 . 15 1 1 A 76 76 SER C C 76 175.630 173.417 2.213 1
1 764 . 15 1 1 A 76 76 SER CA C 76 59.320 58.082 1.238 1
1 765 . 15 1 1 A 76 76 SER CB C 76 64.255 63.477 0.778 1
1 766 . 15 1 1 A 76 76 SER N N 76 112.502 109.099 3.403 1
1 767 . 15 1 1 A 77 77 ARG H H 77 7.381 7.482 -0.101 1
1 768 . 15 1 1 A 77 77 ARG HA H 77 4.318 4.805 -0.487 1
1 775 . 15 1 1 A 77 77 ARG CA C 77 53.260 52.737 0.523 1
1 776 . 15 1 1 A 77 77 ARG CB C 77 30.880 31.824 -0.944 1
1 779 . 15 1 1 A 77 77 ARG N N 77 123.368 121.033 2.335 1
1 780 . 15 1 1 A 78 78 PRO HA H 78 4.697 4.666 0.031 1
1 787 . 15 1 1 A 78 78 PRO C C 78 178.090 178.059 0.031 1
1 788 . 15 1 1 A 78 78 PRO CA C 78 61.970 63.004 -1.034 1
1 789 . 15 1 1 A 78 78 PRO CB C 78 31.380 31.973 -0.593 1
1 792 . 15 1 1 A 79 79 LEU H H 79 9.260 8.552 0.708 1
1 793 . 15 1 1 A 79 79 LEU HA H 79 4.099 4.210 -0.111 1
1 803 . 15 1 1 A 79 79 LEU C C 79 178.680 179.161 -0.481 1
1 804 . 15 1 1 A 79 79 LEU CA C 79 58.290 57.665 0.625 1
1 805 . 15 1 1 A 79 79 LEU CB C 79 42.160 41.634 0.526 1
1 809 . 15 1 1 A 79 79 LEU N N 79 124.739 126.467 -1.728 1
1 810 . 15 1 1 A 80 80 GLY H H 80 9.611 8.543 1.068 1
1 811 . 15 1 1 A 80 80 GLY HA2 H 80 4.003 3.968 0.035 1
1 812 . 15 1 1 A 80 80 GLY HA3 H 80 3.683 3.977 -0.294 1
1 813 . 15 1 1 A 80 80 GLY C C 80 175.850 175.475 0.375 1
1 814 . 15 1 1 A 80 80 GLY CA C 80 46.830 46.757 0.073 1
1 815 . 15 1 1 A 80 80 GLY N N 80 102.276 106.783 -4.507 1
1 816 . 15 1 1 A 81 81 PHE H H 81 8.177 8.056 0.121 1
1 817 . 15 1 1 A 81 81 PHE HA H 81 4.090 4.224 -0.134 1
1 822 . 15 1 1 A 81 81 PHE C C 81 175.810 177.674 -1.864 1
1 823 . 15 1 1 A 81 81 PHE CA C 81 60.560 60.670 -0.110 1
1 824 . 15 1 1 A 81 81 PHE CB C 81 39.640 39.419 0.221 1
1 827 . 15 1 1 A 81 81 PHE N N 81 123.413 122.635 0.778 1
1 828 . 15 1 1 A 82 82 PHE H H 82 7.733 8.167 -0.434 1
1 829 . 15 1 1 A 82 82 PHE HA H 82 4.171 4.169 0.002 1
1 834 . 15 1 1 A 82 82 PHE C C 82 172.960 175.463 -2.503 1
1 835 . 15 1 1 A 82 82 PHE CA C 82 57.730 60.841 -3.111 1
1 836 . 15 1 1 A 82 82 PHE CB C 82 38.670 39.515 -0.845 1
1 839 . 15 1 1 A 82 82 PHE N N 82 114.781 120.087 -5.306 1
1 840 . 15 1 1 A 83 83 SER H H 83 7.541 8.177 -0.636 1
1 841 . 15 1 1 A 83 83 SER HA H 83 3.898 4.125 -0.227 1
1 844 . 15 1 1 A 83 83 SER CA C 83 57.980 59.079 -1.099 1
1 845 . 15 1 1 A 83 83 SER CB C 83 61.882 61.573 0.309 1
1 846 . 15 1 1 A 83 83 SER N N 83 108.622 114.620 -5.998 1
1 847 . 15 1 1 A 85 85 PHE HA H 85 4.447 4.684 -0.237 1
1 854 . 15 1 1 A 85 85 PHE C C 85 173.640 173.505 0.135 1
1 855 . 15 1 1 A 85 85 PHE CA C 85 55.600 57.369 -1.769 1
1 856 . 15 1 1 A 85 85 PHE CB C 85 42.180 39.820 2.360 1
1 861 . 15 1 1 A 86 86 ASP H H 86 8.469 8.449 0.020 1
1 862 . 15 1 1 A 86 86 ASP HA H 86 4.934 4.487 0.447 1
1 865 . 15 1 1 A 86 86 ASP C C 86 177.910 176.037 1.873 1
1 866 . 15 1 1 A 86 86 ASP CA C 86 55.927 53.352 2.575 1
1 867 . 15 1 1 A 86 86 ASP CB C 86 41.109 40.483 0.626 1
1 868 . 15 1 1 A 86 86 ASP N N 86 119.276 127.192 -7.916 1
1 869 . 15 1 1 A 87 87 GLY H H 87 9.163 7.793 1.370 1
1 870 . 15 1 1 A 87 87 GLY HA2 H 87 4.570 3.950 0.620 1
1 871 . 15 1 1 A 87 87 GLY HA3 H 87 3.701 4.245 -0.544 1
1 872 . 15 1 1 A 87 87 GLY C C 87 175.180 174.731 0.449 1
1 873 . 15 1 1 A 87 87 GLY CA C 87 45.540 45.302 0.238 1
1 874 . 15 1 1 A 87 87 GLY N N 87 109.579 112.268 -2.689 1
1 875 . 15 1 1 A 88 88 PHE H H 88 8.270 7.806 0.464 1
1 876 . 15 1 1 A 88 88 PHE HA H 88 4.653 5.028 -0.375 1
1 883 . 15 1 1 A 88 88 PHE C C 88 172.620 176.087 -3.467 1
1 884 . 15 1 1 A 88 88 PHE CA C 88 57.570 58.416 -0.846 1
1 885 . 15 1 1 A 88 88 PHE CB C 88 38.750 39.773 -1.023 1
1 890 . 15 1 1 A 88 88 PHE N N 88 121.300 119.396 1.904 1
1 891 . 15 1 1 A 89 89 ARG H H 89 9.056 9.058 -0.002 1
1 892 . 15 1 1 A 89 89 ARG HA H 89 5.652 5.060 0.592 1
1 899 . 15 1 1 A 89 89 ARG C C 89 174.990 175.327 -0.337 1
1 900 . 15 1 1 A 89 89 ARG CA C 89 54.067 55.197 -1.130 1
1 901 . 15 1 1 A 89 89 ARG CB C 89 35.630 32.049 3.581 1
1 904 . 15 1 1 A 89 89 ARG N N 89 120.200 121.279 -1.079 1
1 905 . 15 1 1 A 90 90 LEU H H 90 9.487 9.673 -0.186 1
1 906 . 15 1 1 A 90 90 LEU HA H 90 5.244 4.736 0.508 1
1 916 . 15 1 1 A 90 90 LEU C C 90 173.050 175.219 -2.169 1
1 917 . 15 1 1 A 90 90 LEU CA C 90 53.250 54.371 -1.121 1
1 918 . 15 1 1 A 90 90 LEU CB C 90 44.870 41.074 3.796 1
1 922 . 15 1 1 A 90 90 LEU N N 90 128.373 126.984 1.389 1
1 923 . 15 1 1 A 91 91 HIS H H 91 9.474 8.830 0.644 1
1 924 . 15 1 1 A 91 91 HIS HA H 91 5.357 5.296 0.061 1
1 929 . 15 1 1 A 91 91 HIS C C 91 173.870 173.134 0.736 1
1 930 . 15 1 1 A 91 91 HIS CA C 91 54.320 54.999 -0.679 1
1 931 . 15 1 1 A 91 91 HIS CB C 91 36.070 29.951 6.119 1
1 934 . 15 1 1 A 91 91 HIS N N 91 125.565 125.053 0.512 1
1 935 . 15 1 1 A 92 92 ILE H H 92 8.341 8.964 -0.623 1
1 936 . 15 1 1 A 92 92 ILE HA H 92 4.045 4.365 -0.320 1
1 946 . 15 1 1 A 92 92 ILE C C 92 173.350 175.750 -2.400 1
1 947 . 15 1 1 A 92 92 ILE CA C 92 61.380 60.491 0.889 1
1 948 . 15 1 1 A 92 92 ILE CB C 92 40.040 38.115 1.925 1
1 952 . 15 1 1 A 92 92 ILE N N 92 126.939 129.322 -2.383 1
1 953 . 15 1 1 A 93 93 ILE H H 93 8.754 8.515 0.239 1
1 954 . 15 1 1 A 93 93 ILE HA H 93 3.744 3.861 -0.117 1
1 964 . 15 1 1 A 93 93 ILE C C 93 174.450 175.324 -0.874 1
1 965 . 15 1 1 A 93 93 ILE CA C 93 60.480 61.964 -1.484 1
1 966 . 15 1 1 A 93 93 ILE CB C 93 41.250 37.721 3.529 1
1 970 . 15 1 1 A 93 93 ILE N N 93 126.486 128.903 -2.417 1
1 971 . 15 1 1 A 94 94 ASP H H 94 7.976 8.710 -0.734 1
1 972 . 15 1 1 A 94 94 ASP HA H 94 4.881 4.772 0.109 1
1 975 . 15 1 1 A 94 94 ASP C C 94 176.710 176.841 -0.131 1
1 976 . 15 1 1 A 94 94 ASP CA C 94 52.170 53.808 -1.638 1
1 977 . 15 1 1 A 94 94 ASP CB C 94 42.000 39.672 2.328 1
1 978 . 15 1 1 A 94 94 ASP N N 94 124.752 129.053 -4.301 1
1 979 . 15 1 1 A 95 95 LEU H H 95 9.218 8.103 1.115 1
1 980 . 15 1 1 A 95 95 LEU HA H 95 4.111 4.722 -0.611 1
1 990 . 15 1 1 A 95 95 LEU C C 95 177.230 176.312 0.918 1
1 991 . 15 1 1 A 95 95 LEU CA C 95 55.553 54.169 1.384 1
1 992 . 15 1 1 A 95 95 LEU CB C 95 42.380 42.840 -0.460 1
1 996 . 15 1 1 A 95 95 LEU N N 95 126.286 119.788 6.498 1
1 997 . 15 1 1 A 96 96 ASP H H 96 8.762 7.846 0.916 1
1 998 . 15 1 1 A 96 96 ASP HA H 96 4.946 4.895 0.051 1
1 1001 . 15 1 1 A 96 96 ASP CA C 96 52.598 51.524 1.074 1
1 1002 . 15 1 1 A 96 96 ASP CB C 96 41.400 41.958 -0.558 1
1 1 . 16 1 1 A 10 10 HIS HA H 10 4.439 4.683 -0.244 1
1 4 . 16 1 1 A 10 10 HIS CA C 10 55.740 56.148 -0.408 1
1 5 . 16 1 1 A 10 10 HIS CB C 10 32.490 30.661 1.829 1
1 6 . 16 1 1 A 11 11 GLY H H 11 8.463 7.912 0.551 1
1 7 . 16 1 1 A 11 11 GLY HA2 H 11 3.930 3.995 -0.065 1
1 8 . 16 1 1 A 11 11 GLY HA3 H 11 3.989 4.002 -0.013 1
1 9 . 16 1 1 A 11 11 GLY C C 11 173.720 172.343 1.377 1
1 10 . 16 1 1 A 11 11 GLY CA C 11 45.450 44.657 0.793 1
1 11 . 16 1 1 A 11 11 GLY N N 11 110.200 108.005 2.195 1
1 12 . 16 1 1 A 12 12 ASP H H 12 8.174 8.611 -0.437 1
1 13 . 16 1 1 A 12 12 ASP HA H 12 4.656 5.246 -0.590 1
1 16 . 16 1 1 A 12 12 ASP C C 12 174.950 174.390 0.560 1
1 17 . 16 1 1 A 12 12 ASP CA C 12 54.140 52.971 1.169 1
1 18 . 16 1 1 A 12 12 ASP CB C 12 41.370 44.257 -2.887 1
1 19 . 16 1 1 A 12 12 ASP N N 12 120.300 123.549 -3.249 1
1 20 . 16 1 1 A 13 13 ASP H H 13 8.405 8.489 -0.084 1
1 21 . 16 1 1 A 13 13 ASP HA H 13 4.630 4.767 -0.137 1
1 24 . 16 1 1 A 13 13 ASP C C 13 176.040 176.382 -0.342 1
1 25 . 16 1 1 A 13 13 ASP CA C 13 53.910 55.078 -1.168 1
1 26 . 16 1 1 A 13 13 ASP CB C 13 40.840 40.908 -0.068 1
1 27 . 16 1 1 A 13 13 ASP N N 13 121.700 121.258 0.442 1
1 28 . 16 1 1 A 14 14 SER H H 14 8.120 8.824 -0.704 1
1 29 . 16 1 1 A 14 14 SER HA H 14 4.570 5.341 -0.771 1
1 32 . 16 1 1 A 14 14 SER C C 14 173.350 172.784 0.566 1
1 33 . 16 1 1 A 14 14 SER CA C 14 59.250 57.613 1.637 1
1 34 . 16 1 1 A 14 14 SER CB C 14 64.956 66.370 -1.414 1
1 35 . 16 1 1 A 14 14 SER N N 14 114.400 117.074 -2.674 1
1 36 . 16 1 1 A 15 15 VAL H H 15 8.859 9.212 -0.353 1
1 37 . 16 1 1 A 15 15 VAL HA H 15 4.754 4.878 -0.124 1
1 45 . 16 1 1 A 15 15 VAL C C 15 174.290 174.305 -0.015 1
1 46 . 16 1 1 A 15 15 VAL CA C 15 59.546 61.322 -1.776 1
1 47 . 16 1 1 A 15 15 VAL CB C 15 34.830 33.097 1.733 1
1 50 . 16 1 1 A 15 15 VAL N N 15 118.659 120.784 -2.125 1
1 51 . 16 1 1 A 16 16 HIS H H 16 9.376 9.111 0.265 1
1 52 . 16 1 1 A 16 16 HIS HA H 16 5.030 4.808 0.222 1
1 56 . 16 1 1 A 16 16 HIS C C 16 173.700 173.369 0.331 1
1 57 . 16 1 1 A 16 16 HIS CA C 16 54.914 54.346 0.568 1
1 58 . 16 1 1 A 16 16 HIS CB C 16 30.300 29.801 0.499 1
1 60 . 16 1 1 A 16 16 HIS N N 16 126.974 127.085 -0.111 1
1 61 . 16 1 1 A 17 17 LEU H H 17 8.888 9.044 -0.156 1
1 62 . 16 1 1 A 17 17 LEU HA H 17 5.100 4.699 0.401 1
1 72 . 16 1 1 A 17 17 LEU C C 17 175.750 176.109 -0.359 1
1 73 . 16 1 1 A 17 17 LEU CA C 17 53.160 54.712 -1.552 1
1 74 . 16 1 1 A 17 17 LEU CB C 17 44.890 42.587 2.303 1
1 78 . 16 1 1 A 17 17 LEU N N 17 126.426 128.798 -2.372 1
1 79 . 16 1 1 A 18 18 HIS H H 18 8.610 9.257 -0.647 1
1 80 . 16 1 1 A 18 18 HIS HA H 18 5.191 4.951 0.240 1
1 84 . 16 1 1 A 18 18 HIS C C 18 174.120 174.490 -0.370 1
1 85 . 16 1 1 A 18 18 HIS CA C 18 55.120 54.937 0.183 1
1 86 . 16 1 1 A 18 18 HIS CB C 18 31.000 29.457 1.543 1
1 88 . 16 1 1 A 18 18 HIS N N 18 120.309 123.574 -3.265 1
1 89 . 16 1 1 A 19 19 ILE H H 19 9.050 8.973 0.077 1
1 90 . 16 1 1 A 19 19 ILE HA H 19 5.704 4.351 1.353 1
1 100 . 16 1 1 A 19 19 ILE C C 19 175.890 175.561 0.329 1
1 101 . 16 1 1 A 19 19 ILE CA C 19 60.250 62.610 -2.360 1
1 102 . 16 1 1 A 19 19 ILE CB C 19 40.500 37.584 2.916 1
1 106 . 16 1 1 A 19 19 ILE N N 19 123.672 125.433 -1.761 1
1 107 . 16 1 1 A 20 20 THR H H 20 9.224 9.534 -0.310 1
1 108 . 16 1 1 A 20 20 THR HA H 20 4.970 4.862 0.108 1
1 110 . 16 1 1 A 20 20 THR C C 20 172.920 173.051 -0.131 1
1 111 . 16 1 1 A 20 20 THR CA C 20 60.960 62.226 -1.266 1
1 112 . 16 1 1 A 20 20 THR CB C 20 71.732 69.904 1.828 1
1 114 . 16 1 1 A 20 20 THR N N 20 117.905 124.501 -6.596 1
1 115 . 16 1 1 A 21 21 HIS H H 21 9.755 9.213 0.542 1
1 116 . 16 1 1 A 21 21 HIS HA H 21 5.053 4.741 0.312 1
1 121 . 16 1 1 A 21 21 HIS C C 21 175.830 175.509 0.321 1
1 122 . 16 1 1 A 21 21 HIS CA C 21 55.561 56.213 -0.652 1
1 123 . 16 1 1 A 21 21 HIS CB C 21 36.450 31.261 5.189 1
1 126 . 16 1 1 A 21 21 HIS N N 21 122.170 127.335 -5.165 1
1 127 . 16 1 1 A 22 22 ALA H H 22 9.098 8.338 0.760 1
1 128 . 16 1 1 A 22 22 ALA HA H 22 4.116 3.971 0.145 1
1 132 . 16 1 1 A 22 22 ALA C C 22 178.340 179.633 -1.293 1
1 133 . 16 1 1 A 22 22 ALA CA C 22 54.670 55.414 -0.744 1
1 134 . 16 1 1 A 22 22 ALA CB C 22 20.870 18.781 2.089 1
1 135 . 16 1 1 A 22 22 ALA N N 22 128.332 129.011 -0.679 1
1 136 . 16 1 1 A 23 23 ASN H H 23 10.395 8.062 2.333 1
1 137 . 16 1 1 A 23 23 ASN HA H 23 5.066 4.389 0.677 1
1 142 . 16 1 1 A 23 23 ASN C C 23 175.090 175.469 -0.379 1
1 143 . 16 1 1 A 23 23 ASN CA C 23 53.649 56.611 -2.962 1
1 144 . 16 1 1 A 23 23 ASN CB C 23 41.160 39.071 2.089 1
1 145 . 16 1 1 A 23 23 ASN N N 23 116.400 116.953 -0.553 1
1 147 . 16 1 1 A 24 24 LEU H H 24 7.752 7.608 0.144 1
1 148 . 16 1 1 A 24 24 LEU HA H 24 4.637 4.588 0.049 1
1 157 . 16 1 1 A 24 24 LEU C C 24 176.810 176.745 0.065 1
1 158 . 16 1 1 A 24 24 LEU CA C 24 53.380 54.487 -1.107 1
1 159 . 16 1 1 A 24 24 LEU CB C 24 41.630 40.455 1.175 1
1 162 . 16 1 1 A 24 24 LEU N N 24 122.870 118.349 4.521 1
1 163 . 16 1 1 A 25 25 LYS H H 25 8.491 8.498 -0.007 1
1 164 . 16 1 1 A 25 25 LYS HA H 25 4.196 4.084 0.112 1
1 171 . 16 1 1 A 25 25 LYS C C 25 177.530 178.191 -0.661 1
1 172 . 16 1 1 A 25 25 LYS CA C 25 59.270 58.527 0.743 1
1 173 . 16 1 1 A 25 25 LYS CB C 25 32.300 32.409 -0.109 1
1 177 . 16 1 1 A 25 25 LYS N N 25 124.310 127.437 -3.127 1
1 178 . 16 1 1 A 26 26 SER H H 26 8.512 7.878 0.634 1
1 179 . 16 1 1 A 26 26 SER HA H 26 4.513 4.755 -0.242 1
1 182 . 16 1 1 A 26 26 SER C C 26 174.090 174.724 -0.634 1
1 183 . 16 1 1 A 26 26 SER CA C 26 58.200 57.975 0.225 1
1 184 . 16 1 1 A 26 26 SER CB C 26 63.487 62.936 0.551 1
1 185 . 16 1 1 A 26 26 SER N N 26 111.482 112.196 -0.714 1
1 186 . 16 1 1 A 27 27 PHE H H 27 7.723 7.675 0.048 1
1 187 . 16 1 1 A 27 27 PHE HA H 27 4.463 4.897 -0.434 1
1 194 . 16 1 1 A 27 27 PHE C C 27 175.270 174.099 1.171 1
1 195 . 16 1 1 A 27 27 PHE CA C 27 59.290 56.469 2.821 1
1 196 . 16 1 1 A 27 27 PHE CB C 27 40.440 39.162 1.278 1
1 201 . 16 1 1 A 27 27 PHE N N 27 123.451 124.638 -1.187 1
1 202 . 16 1 1 A 28 28 SER H H 28 7.702 8.436 -0.734 1
1 203 . 16 1 1 A 28 28 SER HA H 28 4.630 5.377 -0.747 1
1 206 . 16 1 1 A 28 28 SER C C 28 172.060 173.219 -1.159 1
1 207 . 16 1 1 A 28 28 SER CA C 28 57.700 56.439 1.261 1
1 208 . 16 1 1 A 28 28 SER CB C 28 64.600 64.667 -0.067 1
1 209 . 16 1 1 A 28 28 SER N N 28 123.039 120.181 2.858 1
1 210 . 16 1 1 A 29 29 ALA H H 29 8.154 8.710 -0.556 1
1 211 . 16 1 1 A 29 29 ALA HA H 29 4.655 4.783 -0.128 1
1 215 . 16 1 1 A 29 29 ALA C C 29 174.090 175.489 -1.399 1
1 216 . 16 1 1 A 29 29 ALA CA C 29 51.300 51.365 -0.065 1
1 217 . 16 1 1 A 29 29 ALA CB C 29 22.900 20.106 2.794 1
1 218 . 16 1 1 A 29 29 ALA N N 29 124.700 125.054 -0.354 1
1 219 . 16 1 1 A 30 30 ASP H H 30 8.395 8.772 -0.377 1
1 220 . 16 1 1 A 30 30 ASP HA H 30 5.532 5.355 0.177 1
1 223 . 16 1 1 A 30 30 ASP C C 30 174.320 174.679 -0.359 1
1 224 . 16 1 1 A 30 30 ASP CA C 30 53.870 52.248 1.622 1
1 225 . 16 1 1 A 30 30 ASP CB C 30 44.420 41.440 2.980 1
1 226 . 16 1 1 A 30 30 ASP N N 30 117.900 122.847 -4.947 1
1 227 . 16 1 1 A 31 31 ALA H H 31 8.866 8.817 0.049 1
1 228 . 16 1 1 A 31 31 ALA HA H 31 4.554 5.089 -0.535 1
1 232 . 16 1 1 A 31 31 ALA C C 31 174.240 176.452 -2.212 1
1 233 . 16 1 1 A 31 31 ALA CA C 31 51.710 50.037 1.673 1
1 234 . 16 1 1 A 31 31 ALA CB C 31 22.710 21.168 1.542 1
1 235 . 16 1 1 A 31 31 ALA N N 31 121.463 127.401 -5.938 1
1 236 . 16 1 1 A 32 32 ARG H H 32 8.056 8.520 -0.464 1
1 237 . 16 1 1 A 32 32 ARG HA H 32 5.232 5.238 -0.006 1
1 244 . 16 1 1 A 32 32 ARG C C 32 175.610 175.353 0.257 1
1 245 . 16 1 1 A 32 32 ARG CA C 32 54.780 54.989 -0.209 1
1 246 . 16 1 1 A 32 32 ARG CB C 32 31.840 31.590 0.250 1
1 249 . 16 1 1 A 32 32 ARG N N 32 119.065 120.911 -1.846 1
1 250 . 16 1 1 A 33 33 PHE H H 33 8.787 9.124 -0.337 1
1 251 . 16 1 1 A 33 33 PHE HA H 33 4.900 4.963 -0.063 1
1 258 . 16 1 1 A 33 33 PHE C C 33 175.050 175.695 -0.645 1
1 259 . 16 1 1 A 33 33 PHE CA C 33 55.790 56.761 -0.971 1
1 260 . 16 1 1 A 33 33 PHE CB C 33 43.300 42.884 0.416 1
1 265 . 16 1 1 A 33 33 PHE N N 33 119.356 122.264 -2.908 1
1 266 . 16 1 1 A 34 34 SER H H 34 8.361 8.759 -0.398 1
1 267 . 16 1 1 A 34 34 SER HA H 34 4.910 4.834 0.076 1
1 268 . 16 1 1 A 34 34 SER CA C 34 55.270 57.487 -2.217 1
1 269 . 16 1 1 A 34 34 SER CB C 34 64.310 63.145 1.165 1
1 270 . 16 1 1 A 34 34 SER N N 34 118.000 118.630 -0.630 1
1 271 . 16 1 1 A 35 35 PRO HA H 35 4.183 4.419 -0.236 1
1 278 . 16 1 1 A 35 35 PRO C C 35 176.460 176.768 -0.308 1
1 279 . 16 1 1 A 35 35 PRO CA C 35 64.120 63.671 0.449 1
1 280 . 16 1 1 A 35 35 PRO CB C 35 32.140 32.440 -0.300 1
1 283 . 16 1 1 A 36 36 GLN H H 36 8.013 8.777 -0.764 1
1 284 . 16 1 1 A 36 36 GLN HA H 36 4.278 3.901 0.377 1
1 291 . 16 1 1 A 36 36 GLN C C 36 176.630 174.472 2.158 1
1 292 . 16 1 1 A 36 36 GLN CA C 36 56.600 57.426 -0.826 1
1 293 . 16 1 1 A 36 36 GLN CB C 36 29.380 27.116 2.264 1
1 295 . 16 1 1 A 36 36 GLN N N 36 114.700 115.464 -0.764 1
1 297 . 16 1 1 A 37 37 MET H H 37 7.628 7.832 -0.204 1
1 298 . 16 1 1 A 37 37 MET HA H 37 4.314 4.539 -0.225 1
1 303 . 16 1 1 A 37 37 MET C C 37 174.480 175.903 -1.423 1
1 304 . 16 1 1 A 37 37 MET CA C 37 56.260 55.767 0.493 1
1 305 . 16 1 1 A 37 37 MET CB C 37 34.890 33.832 1.058 1
1 307 . 16 1 1 A 37 37 MET N N 37 120.895 119.289 1.606 1
1 308 . 16 1 1 A 38 38 SER H H 38 8.740 8.998 -0.258 1
1 309 . 16 1 1 A 38 38 SER HA H 38 4.650 4.472 0.178 1
1 312 . 16 1 1 A 38 38 SER C C 38 175.320 174.715 0.605 1
1 313 . 16 1 1 A 38 38 SER CA C 38 57.555 58.998 -1.443 1
1 314 . 16 1 1 A 38 38 SER CB C 38 64.800 63.636 1.164 1
1 315 . 16 1 1 A 38 38 SER N N 38 119.800 120.881 -1.081 1
1 316 . 16 1 1 A 39 39 VAL H H 39 8.619 9.018 -0.399 1
1 317 . 16 1 1 A 39 39 VAL HA H 39 3.405 3.605 -0.200 1
1 325 . 16 1 1 A 39 39 VAL C C 39 177.950 177.896 0.054 1
1 326 . 16 1 1 A 39 39 VAL CA C 39 68.010 65.961 2.049 1
1 327 . 16 1 1 A 39 39 VAL CB C 39 31.830 31.370 0.460 1
1 330 . 16 1 1 A 39 39 VAL N N 39 122.324 123.757 -1.433 1
1 331 . 16 1 1 A 40 40 GLU H H 40 8.737 8.217 0.520 1
1 332 . 16 1 1 A 40 40 GLU HA H 40 3.743 4.003 -0.260 1
1 337 . 16 1 1 A 40 40 GLU C C 40 177.450 178.519 -1.069 1
1 338 . 16 1 1 A 40 40 GLU CA C 40 60.570 58.797 1.773 1
1 339 . 16 1 1 A 40 40 GLU CB C 40 30.000 29.582 0.418 1
1 341 . 16 1 1 A 40 40 GLU N N 40 120.358 121.079 -0.721 1
1 342 . 16 1 1 A 41 41 ALA H H 41 8.056 7.726 0.330 1
1 343 . 16 1 1 A 41 41 ALA HA H 41 4.275 4.011 0.264 1
1 347 . 16 1 1 A 41 41 ALA C C 41 181.560 180.065 1.495 1
1 348 . 16 1 1 A 41 41 ALA CA C 41 55.080 55.142 -0.062 1
1 349 . 16 1 1 A 41 41 ALA CB C 41 18.570 18.231 0.339 1
1 350 . 16 1 1 A 41 41 ALA N N 41 123.045 122.251 0.794 1
1 351 . 16 1 1 A 42 42 VAL H H 42 8.519 7.733 0.786 1
1 352 . 16 1 1 A 42 42 VAL HA H 42 3.456 3.854 -0.398 1
1 360 . 16 1 1 A 42 42 VAL C C 42 177.950 177.588 0.362 1
1 361 . 16 1 1 A 42 42 VAL CA C 42 67.440 64.431 3.009 1
1 362 . 16 1 1 A 42 42 VAL CB C 42 31.370 31.626 -0.256 1
1 365 . 16 1 1 A 42 42 VAL N N 42 122.576 117.309 5.267 1
1 366 . 16 1 1 A 43 43 LYS H H 43 8.660 7.599 1.061 1
1 367 . 16 1 1 A 43 43 LYS HA H 43 3.905 4.029 -0.124 1
1 374 . 16 1 1 A 43 43 LYS C C 43 178.490 178.197 0.293 1
1 375 . 16 1 1 A 43 43 LYS CA C 43 61.080 59.575 1.505 1
1 376 . 16 1 1 A 43 43 LYS CB C 43 33.450 31.865 1.585 1
1 380 . 16 1 1 A 43 43 LYS N N 43 118.752 121.332 -2.580 1
1 381 . 16 1 1 A 44 44 GLU H H 44 8.109 7.274 0.835 1
1 382 . 16 1 1 A 44 44 GLU HA H 44 4.100 4.308 -0.208 1
1 387 . 16 1 1 A 44 44 GLU C C 44 178.760 178.897 -0.137 1
1 388 . 16 1 1 A 44 44 GLU CA C 44 60.560 58.742 1.818 1
1 389 . 16 1 1 A 44 44 GLU CB C 44 29.700 29.723 -0.023 1
1 391 . 16 1 1 A 44 44 GLU N N 44 118.904 119.454 -0.550 1
1 392 . 16 1 1 A 45 45 LYS H H 45 7.868 7.721 0.147 1
1 393 . 16 1 1 A 45 45 LYS HA H 45 4.147 4.116 0.031 1
1 400 . 16 1 1 A 45 45 LYS C C 45 180.020 178.370 1.650 1
1 401 . 16 1 1 A 45 45 LYS CA C 45 59.210 58.806 0.404 1
1 402 . 16 1 1 A 45 45 LYS CB C 45 32.540 32.326 0.214 1
1 406 . 16 1 1 A 45 45 LYS N N 45 118.353 119.906 -1.553 1
1 407 . 16 1 1 A 46 46 LEU H H 46 8.538 7.633 0.905 1
1 408 . 16 1 1 A 46 46 LEU HA H 46 4.147 4.437 -0.290 1
1 418 . 16 1 1 A 46 46 LEU C C 46 179.950 178.072 1.878 1
1 419 . 16 1 1 A 46 46 LEU CA C 46 57.900 54.634 3.266 1
1 420 . 16 1 1 A 46 46 LEU CB C 46 40.800 41.951 -1.151 1
1 424 . 16 1 1 A 46 46 LEU N N 46 118.568 118.325 0.243 1
1 425 . 16 1 1 A 47 47 TRP H H 47 9.308 7.849 1.459 1
1 426 . 16 1 1 A 47 47 TRP HA H 47 4.636 4.427 0.209 1
1 435 . 16 1 1 A 47 47 TRP C C 47 179.040 177.365 1.675 1
1 436 . 16 1 1 A 47 47 TRP CA C 47 60.312 58.938 1.374 1
1 437 . 16 1 1 A 47 47 TRP CB C 47 28.080 29.837 -1.757 1
1 443 . 16 1 1 A 47 47 TRP N N 47 127.808 122.266 5.542 1
1 445 . 16 1 1 A 48 48 LYS H H 48 7.362 7.966 -0.604 1
1 446 . 16 1 1 A 48 48 LYS HA H 48 3.238 4.222 -0.984 1
1 453 . 16 1 1 A 48 48 LYS C C 48 177.660 177.934 -0.274 1
1 454 . 16 1 1 A 48 48 LYS CA C 48 58.360 57.720 0.640 1
1 455 . 16 1 1 A 48 48 LYS CB C 48 32.090 32.890 -0.800 1
1 459 . 16 1 1 A 48 48 LYS N N 48 118.583 117.575 1.008 1
1 460 . 16 1 1 A 49 49 LYS H H 49 7.339 7.982 -0.643 1
1 461 . 16 1 1 A 49 49 LYS HA H 49 4.388 4.230 0.158 1
1 468 . 16 1 1 A 49 49 LYS C C 49 177.120 176.054 1.066 1
1 469 . 16 1 1 A 49 49 LYS CA C 49 57.469 57.810 -0.341 1
1 470 . 16 1 1 A 49 49 LYS CB C 49 33.990 33.882 0.108 1
1 474 . 16 1 1 A 49 49 LYS N N 49 114.530 118.925 -4.395 1
1 475 . 16 1 1 A 50 50 CYS H H 50 8.092 7.408 0.684 1
1 476 . 16 1 1 A 50 50 CYS HA H 50 4.880 4.770 0.110 1
1 479 . 16 1 1 A 50 50 CYS C C 50 174.560 175.014 -0.454 1
1 480 . 16 1 1 A 50 50 CYS CA C 50 57.213 57.701 -0.488 1
1 481 . 16 1 1 A 50 50 CYS CB C 50 31.470 30.490 0.980 1
1 482 . 16 1 1 A 50 50 CYS N N 50 110.536 113.485 -2.949 1
1 483 . 16 1 1 A 51 51 GLY H H 51 8.644 8.790 -0.146 1
1 484 . 16 1 1 A 51 51 GLY HA2 H 51 4.248 3.796 0.452 1
1 485 . 16 1 1 A 51 51 GLY HA3 H 51 3.650 3.798 -0.148 1
1 486 . 16 1 1 A 51 51 GLY C C 51 173.800 174.656 -0.856 1
1 487 . 16 1 1 A 51 51 GLY CA C 51 46.390 45.753 0.637 1
1 488 . 16 1 1 A 51 51 GLY N N 51 113.666 110.479 3.187 1
1 489 . 16 1 1 A 52 52 THR H H 52 7.781 7.576 0.205 1
1 490 . 16 1 1 A 52 52 THR HA H 52 4.277 4.478 -0.201 1
1 495 . 16 1 1 A 52 52 THR C C 52 172.080 174.477 -2.397 1
1 496 . 16 1 1 A 52 52 THR CA C 52 63.630 62.375 1.255 1
1 497 . 16 1 1 A 52 52 THR CB C 52 69.720 68.810 0.910 1
1 499 . 16 1 1 A 52 52 THR N N 52 121.643 113.594 8.049 1
1 500 . 16 1 1 A 53 53 SER H H 53 8.606 8.194 0.412 1
1 501 . 16 1 1 A 53 53 SER HA H 53 3.775 4.688 -0.913 1
1 504 . 16 1 1 A 53 53 SER C C 53 175.890 173.355 2.535 1
1 505 . 16 1 1 A 53 53 SER CA C 53 58.590 58.658 -0.068 1
1 506 . 16 1 1 A 53 53 SER CB C 53 63.620 62.356 1.264 1
1 507 . 16 1 1 A 53 53 SER N N 53 120.903 116.542 4.361 1
1 508 . 16 1 1 A 54 54 VAL H H 54 7.895 8.433 -0.538 1
1 509 . 16 1 1 A 54 54 VAL HA H 54 3.563 4.254 -0.691 1
1 517 . 16 1 1 A 54 54 VAL C C 54 178.260 175.414 2.846 1
1 518 . 16 1 1 A 54 54 VAL CA C 54 66.600 61.703 4.897 1
1 519 . 16 1 1 A 54 54 VAL CB C 54 31.630 30.893 0.737 1
1 522 . 16 1 1 A 54 54 VAL N N 54 121.121 123.985 -2.864 1
1 523 . 16 1 1 A 55 55 ASN H H 55 8.148 8.874 -0.726 1
1 524 . 16 1 1 A 55 55 ASN HA H 55 4.496 5.038 -0.542 1
1 529 . 16 1 1 A 55 55 ASN C C 55 175.640 176.820 -1.180 1
1 530 . 16 1 1 A 55 55 ASN CA C 55 54.875 54.622 0.253 1
1 531 . 16 1 1 A 55 55 ASN CB C 55 38.120 41.119 -2.999 1
1 532 . 16 1 1 A 55 55 ASN N N 55 115.018 125.462 -10.444 1
1 534 . 16 1 1 A 56 56 SER H H 56 7.559 8.112 -0.553 1
1 535 . 16 1 1 A 56 56 SER HA H 56 4.585 4.402 0.183 1
1 538 . 16 1 1 A 56 56 SER C C 56 171.180 174.586 -3.406 1
1 539 . 16 1 1 A 56 56 SER CA C 56 57.260 59.936 -2.676 1
1 540 . 16 1 1 A 56 56 SER CB C 56 64.260 63.709 0.551 1
1 541 . 16 1 1 A 56 56 SER N N 56 114.545 114.434 0.111 1
1 542 . 16 1 1 A 57 57 MET H H 57 7.177 7.922 -0.745 1
1 543 . 16 1 1 A 57 57 MET HA H 57 4.785 5.369 -0.584 1
1 548 . 16 1 1 A 57 57 MET C C 57 175.400 174.762 0.638 1
1 549 . 16 1 1 A 57 57 MET CA C 57 55.631 54.332 1.299 1
1 550 . 16 1 1 A 57 57 MET CB C 57 36.740 33.655 3.085 1
1 552 . 16 1 1 A 57 57 MET N N 57 120.883 120.936 -0.053 1
1 553 . 16 1 1 A 58 58 ALA H H 58 9.226 7.508 1.718 1
1 554 . 16 1 1 A 58 58 ALA HA H 58 4.723 4.298 0.425 1
1 558 . 16 1 1 A 58 58 ALA C C 58 175.360 177.193 -1.833 1
1 559 . 16 1 1 A 58 58 ALA CA C 58 50.327 52.239 -1.912 1
1 560 . 16 1 1 A 58 58 ALA CB C 58 21.580 19.890 1.690 1
1 561 . 16 1 1 A 58 58 ALA N N 58 129.559 123.272 6.287 1
1 562 . 16 1 1 A 59 59 LEU H H 59 8.307 8.356 -0.049 1
1 563 . 16 1 1 A 59 59 LEU HA H 59 5.393 4.792 0.601 1
1 573 . 16 1 1 A 59 59 LEU C C 59 175.470 175.674 -0.204 1
1 574 . 16 1 1 A 59 59 LEU CA C 59 52.970 53.661 -0.691 1
1 575 . 16 1 1 A 59 59 LEU CB C 59 47.410 42.656 4.754 1
1 579 . 16 1 1 A 59 59 LEU N N 59 118.793 121.162 -2.369 1
1 580 . 16 1 1 A 60 60 GLU H H 60 8.978 9.180 -0.202 1
1 581 . 16 1 1 A 60 60 GLU HA H 60 4.789 4.433 0.356 1
1 586 . 16 1 1 A 60 60 GLU C C 60 173.670 174.804 -1.134 1
1 587 . 16 1 1 A 60 60 GLU CA C 60 54.246 55.849 -1.603 1
1 588 . 16 1 1 A 60 60 GLU CB C 60 35.470 29.327 6.143 1
1 590 . 16 1 1 A 60 60 GLU N N 60 121.100 124.952 -3.852 1
1 591 . 16 1 1 A 61 61 LEU H H 61 8.651 8.215 0.436 1
1 592 . 16 1 1 A 61 61 LEU HA H 61 5.541 4.995 0.546 1
1 602 . 16 1 1 A 61 61 LEU C C 61 174.270 174.270 0.000 1
1 603 . 16 1 1 A 61 61 LEU CA C 61 53.120 53.983 -0.863 1
1 604 . 16 1 1 A 61 61 LEU CB C 61 46.890 42.764 4.126 1
1 608 . 16 1 1 A 61 61 LEU N N 61 122.689 127.839 -5.150 1
1 609 . 16 1 1 A 62 62 TYR H H 62 10.028 9.035 0.993 1
1 610 . 16 1 1 A 62 62 TYR HA H 62 5.096 5.299 -0.203 1
1 617 . 16 1 1 A 62 62 TYR C C 62 175.180 174.836 0.344 1
1 618 . 16 1 1 A 62 62 TYR CA C 62 56.520 56.657 -0.137 1
1 619 . 16 1 1 A 62 62 TYR CB C 62 42.520 37.742 4.778 1
1 624 . 16 1 1 A 62 62 TYR N N 62 126.875 127.627 -0.752 1
1 625 . 16 1 1 A 63 63 ASP H H 63 8.573 8.709 -0.136 1
1 626 . 16 1 1 A 63 63 ASP HA H 63 2.824 4.737 -1.913 1
1 629 . 16 1 1 A 63 63 ASP C C 63 176.470 176.426 0.044 1
1 630 . 16 1 1 A 63 63 ASP CA C 63 51.490 53.829 -2.339 1
1 631 . 16 1 1 A 63 63 ASP CB C 63 41.490 42.041 -0.551 1
1 632 . 16 1 1 A 63 63 ASP N N 63 118.563 124.307 -5.744 1
1 633 . 16 1 1 A 64 64 ASP H H 64 8.319 8.473 -0.154 1
1 634 . 16 1 1 A 64 64 ASP HA H 64 4.396 3.895 0.501 1
1 637 . 16 1 1 A 64 64 ASP C C 64 176.670 174.941 1.729 1
1 638 . 16 1 1 A 64 64 ASP CA C 64 55.270 54.869 0.401 1
1 639 . 16 1 1 A 64 64 ASP CB C 64 39.540 39.672 -0.132 1
1 640 . 16 1 1 A 64 64 ASP N N 64 114.728 123.144 -8.416 1
1 641 . 16 1 1 A 65 65 SER H H 65 8.305 8.450 -0.145 1
1 642 . 16 1 1 A 65 65 SER HA H 65 4.640 4.173 0.467 1
1 645 . 16 1 1 A 65 65 SER C C 65 174.700 174.728 -0.028 1
1 646 . 16 1 1 A 65 65 SER CA C 65 58.550 61.111 -2.561 1
1 647 . 16 1 1 A 65 65 SER CB C 65 64.393 61.217 3.176 1
1 648 . 16 1 1 A 65 65 SER N N 65 115.837 107.946 7.891 1
1 649 . 16 1 1 A 66 66 GLY H H 66 7.876 8.103 -0.227 1
1 650 . 16 1 1 A 66 66 GLY HA2 H 66 4.284 4.001 0.283 1
1 651 . 16 1 1 A 66 66 GLY HA3 H 66 3.679 4.029 -0.350 1
1 652 . 16 1 1 A 66 66 GLY C C 66 174.550 173.580 0.970 1
1 653 . 16 1 1 A 66 66 GLY CA C 66 45.570 45.404 0.166 1
1 654 . 16 1 1 A 66 66 GLY N N 66 109.151 108.141 1.010 1
1 655 . 16 1 1 A 67 67 SER H H 67 8.416 7.509 0.907 1
1 656 . 16 1 1 A 67 67 SER HA H 67 4.583 4.940 -0.357 1
1 659 . 16 1 1 A 67 67 SER C C 67 173.680 173.759 -0.079 1
1 660 . 16 1 1 A 67 67 SER CA C 67 58.070 57.565 0.505 1
1 661 . 16 1 1 A 67 67 SER CB C 67 63.300 65.364 -2.064 1
1 662 . 16 1 1 A 67 67 SER N N 67 119.156 115.641 3.515 1
1 663 . 16 1 1 A 68 68 LYS H H 68 8.880 8.746 0.134 1
1 664 . 16 1 1 A 68 68 LYS HA H 68 3.233 4.983 -1.750 1
1 671 . 16 1 1 A 68 68 LYS C C 68 176.440 176.427 0.013 1
1 672 . 16 1 1 A 68 68 LYS CA C 68 57.920 55.682 2.238 1
1 673 . 16 1 1 A 68 68 LYS CB C 68 31.822 33.140 -1.318 1
1 677 . 16 1 1 A 68 68 LYS N N 68 128.005 123.958 4.047 1
1 678 . 16 1 1 A 69 69 VAL H H 69 9.215 8.697 0.518 1
1 679 . 16 1 1 A 69 69 VAL HA H 69 4.185 4.514 -0.329 1
1 687 . 16 1 1 A 69 69 VAL C C 69 176.170 175.950 0.220 1
1 688 . 16 1 1 A 69 69 VAL CA C 69 62.860 61.004 1.856 1
1 689 . 16 1 1 A 69 69 VAL CB C 69 33.660 31.809 1.851 1
1 692 . 16 1 1 A 69 69 VAL N N 69 126.574 118.545 8.029 1
1 693 . 16 1 1 A 70 70 ALA H H 70 7.647 7.862 -0.215 1
1 694 . 16 1 1 A 70 70 ALA HA H 70 4.614 4.291 0.323 1
1 698 . 16 1 1 A 70 70 ALA C C 70 175.170 177.135 -1.965 1
1 699 . 16 1 1 A 70 70 ALA CA C 70 52.400 51.295 1.105 1
1 700 . 16 1 1 A 70 70 ALA CB C 70 23.350 17.387 5.963 1
1 701 . 16 1 1 A 70 70 ALA N N 70 118.268 126.340 -8.072 1
1 702 . 16 1 1 A 71 71 VAL H H 71 8.428 8.224 0.204 1
1 703 . 16 1 1 A 71 71 VAL HA H 71 4.216 4.197 0.019 1
1 711 . 16 1 1 A 71 71 VAL C C 71 175.810 175.611 0.199 1
1 712 . 16 1 1 A 71 71 VAL CA C 71 62.380 63.246 -0.866 1
1 713 . 16 1 1 A 71 71 VAL CB C 71 33.120 32.530 0.590 1
1 716 . 16 1 1 A 71 71 VAL N N 71 119.624 120.791 -1.167 1
1 717 . 16 1 1 A 72 72 LEU H H 72 8.333 7.741 0.592 1
1 718 . 16 1 1 A 72 72 LEU HA H 72 3.882 3.849 0.033 1
1 728 . 16 1 1 A 72 72 LEU C C 72 176.580 176.023 0.557 1
1 729 . 16 1 1 A 72 72 LEU CA C 72 54.600 55.844 -1.244 1
1 730 . 16 1 1 A 72 72 LEU CB C 72 37.880 40.166 -2.286 1
1 734 . 16 1 1 A 72 72 LEU N N 72 130.241 121.850 8.391 1
1 735 . 16 1 1 A 73 73 SER H H 73 7.865 8.180 -0.315 1
1 736 . 16 1 1 A 73 73 SER HA H 73 4.304 4.740 -0.436 1
1 739 . 16 1 1 A 73 73 SER C C 73 173.470 174.520 -1.050 1
1 740 . 16 1 1 A 73 73 SER CA C 73 59.400 57.176 2.224 1
1 741 . 16 1 1 A 73 73 SER CB C 73 64.230 64.219 0.011 1
1 742 . 16 1 1 A 73 73 SER N N 73 116.577 112.396 4.181 1
1 743 . 16 1 1 A 74 74 ASP H H 74 7.553 7.899 -0.346 1
1 744 . 16 1 1 A 74 74 ASP HA H 74 4.858 4.916 -0.058 1
1 747 . 16 1 1 A 74 74 ASP C C 74 175.910 176.579 -0.669 1
1 748 . 16 1 1 A 74 74 ASP CA C 74 53.057 52.978 0.079 1
1 749 . 16 1 1 A 74 74 ASP CB C 74 41.720 41.307 0.413 1
1 750 . 16 1 1 A 74 74 ASP N N 74 120.482 120.010 0.472 1
1 751 . 16 1 1 A 75 75 ASP H H 75 8.601 8.311 0.290 1
1 752 . 16 1 1 A 75 75 ASP HA H 75 4.375 4.302 0.073 1
1 755 . 16 1 1 A 75 75 ASP C C 75 176.590 176.830 -0.240 1
1 756 . 16 1 1 A 75 75 ASP CA C 75 56.760 56.377 0.383 1
1 757 . 16 1 1 A 75 75 ASP CB C 75 41.310 39.519 1.791 1
1 758 . 16 1 1 A 75 75 ASP N N 75 125.434 120.733 4.701 1
1 759 . 16 1 1 A 76 76 SER H H 76 8.558 7.891 0.667 1
1 760 . 16 1 1 A 76 76 SER HA H 76 4.463 4.765 -0.302 1
1 763 . 16 1 1 A 76 76 SER C C 76 175.630 173.575 2.055 1
1 764 . 16 1 1 A 76 76 SER CA C 76 59.320 57.676 1.644 1
1 765 . 16 1 1 A 76 76 SER CB C 76 64.255 64.194 0.061 1
1 766 . 16 1 1 A 76 76 SER N N 76 112.502 112.970 -0.468 1
1 767 . 16 1 1 A 77 77 ARG H H 77 7.381 7.156 0.225 1
1 768 . 16 1 1 A 77 77 ARG HA H 77 4.318 4.485 -0.167 1
1 775 . 16 1 1 A 77 77 ARG CA C 77 53.260 53.060 0.200 1
1 776 . 16 1 1 A 77 77 ARG CB C 77 30.880 30.255 0.625 1
1 779 . 16 1 1 A 77 77 ARG N N 77 123.368 121.400 1.968 1
1 780 . 16 1 1 A 78 78 PRO HA H 78 4.697 4.606 0.091 1
1 787 . 16 1 1 A 78 78 PRO C C 78 178.090 178.149 -0.059 1
1 788 . 16 1 1 A 78 78 PRO CA C 78 61.970 63.035 -1.065 1
1 789 . 16 1 1 A 78 78 PRO CB C 78 31.380 31.796 -0.416 1
1 792 . 16 1 1 A 79 79 LEU H H 79 9.260 8.595 0.665 1
1 793 . 16 1 1 A 79 79 LEU HA H 79 4.099 4.273 -0.174 1
1 803 . 16 1 1 A 79 79 LEU C C 79 178.680 179.667 -0.987 1
1 804 . 16 1 1 A 79 79 LEU CA C 79 58.290 57.356 0.934 1
1 805 . 16 1 1 A 79 79 LEU CB C 79 42.160 41.304 0.856 1
1 809 . 16 1 1 A 79 79 LEU N N 79 124.739 123.873 0.866 1
1 810 . 16 1 1 A 80 80 GLY H H 80 9.611 8.245 1.366 1
1 811 . 16 1 1 A 80 80 GLY HA2 H 80 4.003 3.810 0.193 1
1 812 . 16 1 1 A 80 80 GLY HA3 H 80 3.683 3.813 -0.130 1
1 813 . 16 1 1 A 80 80 GLY C C 80 175.850 175.893 -0.043 1
1 814 . 16 1 1 A 80 80 GLY CA C 80 46.830 47.430 -0.600 1
1 815 . 16 1 1 A 80 80 GLY N N 80 102.276 106.470 -4.194 1
1 816 . 16 1 1 A 81 81 PHE H H 81 8.177 8.091 0.086 1
1 817 . 16 1 1 A 81 81 PHE HA H 81 4.090 4.245 -0.155 1
1 822 . 16 1 1 A 81 81 PHE C C 81 175.810 178.056 -2.246 1
1 823 . 16 1 1 A 81 81 PHE CA C 81 60.560 60.770 -0.210 1
1 824 . 16 1 1 A 81 81 PHE CB C 81 39.640 39.381 0.259 1
1 827 . 16 1 1 A 81 81 PHE N N 81 123.413 123.107 0.306 1
1 828 . 16 1 1 A 82 82 PHE H H 82 7.733 8.126 -0.393 1
1 829 . 16 1 1 A 82 82 PHE HA H 82 4.171 4.575 -0.404 1
1 834 . 16 1 1 A 82 82 PHE C C 82 172.960 175.497 -2.537 1
1 835 . 16 1 1 A 82 82 PHE CA C 82 57.730 59.876 -2.146 1
1 836 . 16 1 1 A 82 82 PHE CB C 82 38.670 39.488 -0.818 1
1 839 . 16 1 1 A 82 82 PHE N N 82 114.781 118.986 -4.205 1
1 840 . 16 1 1 A 83 83 SER H H 83 7.541 7.919 -0.378 1
1 841 . 16 1 1 A 83 83 SER HA H 83 3.898 4.324 -0.426 1
1 844 . 16 1 1 A 83 83 SER CA C 83 57.980 58.822 -0.842 1
1 845 . 16 1 1 A 83 83 SER CB C 83 61.882 62.038 -0.156 1
1 846 . 16 1 1 A 83 83 SER N N 83 108.622 113.441 -4.819 1
1 847 . 16 1 1 A 85 85 PHE HA H 85 4.447 4.796 -0.349 1
1 854 . 16 1 1 A 85 85 PHE C C 85 173.640 176.135 -2.495 1
1 855 . 16 1 1 A 85 85 PHE CA C 85 55.600 56.878 -1.278 1
1 856 . 16 1 1 A 85 85 PHE CB C 85 42.180 41.012 1.168 1
1 861 . 16 1 1 A 86 86 ASP H H 86 8.469 8.078 0.391 1
1 862 . 16 1 1 A 86 86 ASP HA H 86 4.934 4.675 0.259 1
1 865 . 16 1 1 A 86 86 ASP C C 86 177.910 176.369 1.541 1
1 866 . 16 1 1 A 86 86 ASP CA C 86 55.927 52.967 2.960 1
1 867 . 16 1 1 A 86 86 ASP CB C 86 41.109 39.973 1.136 1
1 868 . 16 1 1 A 86 86 ASP N N 86 119.276 123.117 -3.841 1
1 869 . 16 1 1 A 87 87 GLY H H 87 9.163 6.882 2.281 1
1 870 . 16 1 1 A 87 87 GLY HA2 H 87 4.570 4.044 0.526 1
1 871 . 16 1 1 A 87 87 GLY HA3 H 87 3.701 4.245 -0.544 1
1 872 . 16 1 1 A 87 87 GLY C C 87 175.180 173.436 1.744 1
1 873 . 16 1 1 A 87 87 GLY CA C 87 45.540 45.714 -0.174 1
1 874 . 16 1 1 A 87 87 GLY N N 87 109.579 106.796 2.783 1
1 875 . 16 1 1 A 88 88 PHE H H 88 8.270 8.933 -0.663 1
1 876 . 16 1 1 A 88 88 PHE HA H 88 4.653 4.918 -0.265 1
1 883 . 16 1 1 A 88 88 PHE C C 88 172.620 176.401 -3.781 1
1 884 . 16 1 1 A 88 88 PHE CA C 88 57.570 59.215 -1.645 1
1 885 . 16 1 1 A 88 88 PHE CB C 88 38.750 40.117 -1.367 1
1 890 . 16 1 1 A 88 88 PHE N N 88 121.300 123.616 -2.316 1
1 891 . 16 1 1 A 89 89 ARG H H 89 9.056 8.893 0.163 1
1 892 . 16 1 1 A 89 89 ARG HA H 89 5.652 4.888 0.764 1
1 899 . 16 1 1 A 89 89 ARG C C 89 174.990 175.197 -0.207 1
1 900 . 16 1 1 A 89 89 ARG CA C 89 54.067 55.296 -1.229 1
1 901 . 16 1 1 A 89 89 ARG CB C 89 35.630 30.795 4.835 1
1 904 . 16 1 1 A 89 89 ARG N N 89 120.200 122.517 -2.317 1
1 905 . 16 1 1 A 90 90 LEU H H 90 9.487 9.151 0.336 1
1 906 . 16 1 1 A 90 90 LEU HA H 90 5.244 4.859 0.385 1
1 916 . 16 1 1 A 90 90 LEU C C 90 173.050 175.199 -2.149 1
1 917 . 16 1 1 A 90 90 LEU CA C 90 53.250 53.937 -0.687 1
1 918 . 16 1 1 A 90 90 LEU CB C 90 44.870 41.617 3.253 1
1 922 . 16 1 1 A 90 90 LEU N N 90 128.373 127.023 1.350 1
1 923 . 16 1 1 A 91 91 HIS H H 91 9.474 9.207 0.267 1
1 924 . 16 1 1 A 91 91 HIS HA H 91 5.357 5.169 0.188 1
1 929 . 16 1 1 A 91 91 HIS C C 91 173.870 173.463 0.407 1
1 930 . 16 1 1 A 91 91 HIS CA C 91 54.320 54.548 -0.228 1
1 931 . 16 1 1 A 91 91 HIS CB C 91 36.070 30.673 5.397 1
1 934 . 16 1 1 A 91 91 HIS N N 91 125.565 125.330 0.235 1
1 935 . 16 1 1 A 92 92 ILE H H 92 8.341 8.724 -0.383 1
1 936 . 16 1 1 A 92 92 ILE HA H 92 4.045 4.203 -0.158 1
1 946 . 16 1 1 A 92 92 ILE C C 92 173.350 175.357 -2.007 1
1 947 . 16 1 1 A 92 92 ILE CA C 92 61.380 61.505 -0.125 1
1 948 . 16 1 1 A 92 92 ILE CB C 92 40.040 37.709 2.331 1
1 952 . 16 1 1 A 92 92 ILE N N 92 126.939 129.082 -2.143 1
1 953 . 16 1 1 A 93 93 ILE H H 93 8.754 8.835 -0.081 1
1 954 . 16 1 1 A 93 93 ILE HA H 93 3.744 4.211 -0.467 1
1 964 . 16 1 1 A 93 93 ILE C C 93 174.450 174.216 0.234 1
1 965 . 16 1 1 A 93 93 ILE CA C 93 60.480 61.238 -0.758 1
1 966 . 16 1 1 A 93 93 ILE CB C 93 41.250 36.704 4.546 1
1 970 . 16 1 1 A 93 93 ILE N N 93 126.486 129.098 -2.612 1
1 971 . 16 1 1 A 94 94 ASP H H 94 7.976 8.479 -0.503 1
1 972 . 16 1 1 A 94 94 ASP HA H 94 4.881 4.685 0.196 1
1 975 . 16 1 1 A 94 94 ASP C C 94 176.710 175.919 0.791 1
1 976 . 16 1 1 A 94 94 ASP CA C 94 52.170 52.702 -0.532 1
1 977 . 16 1 1 A 94 94 ASP CB C 94 42.000 39.706 2.294 1
1 978 . 16 1 1 A 94 94 ASP N N 94 124.752 128.750 -3.998 1
1 979 . 16 1 1 A 95 95 LEU H H 95 9.218 7.885 1.333 1
1 980 . 16 1 1 A 95 95 LEU HA H 95 4.111 4.663 -0.552 1
1 990 . 16 1 1 A 95 95 LEU C C 95 177.230 176.448 0.782 1
1 991 . 16 1 1 A 95 95 LEU CA C 95 55.553 54.308 1.245 1
1 992 . 16 1 1 A 95 95 LEU CB C 95 42.380 43.400 -1.020 1
1 996 . 16 1 1 A 95 95 LEU N N 95 126.286 126.181 0.105 1
1 997 . 16 1 1 A 96 96 ASP H H 96 8.762 7.702 1.060 1
1 998 . 16 1 1 A 96 96 ASP HA H 96 4.946 4.824 0.122 1
1 1001 . 16 1 1 A 96 96 ASP CA C 96 52.598 51.965 0.633 1
1 1002 . 16 1 1 A 96 96 ASP CB C 96 41.400 41.748 -0.348 1
1 1 . 17 1 1 A 10 10 HIS HA H 10 4.439 4.055 0.384 1
1 4 . 17 1 1 A 10 10 HIS CA C 10 55.740 57.224 -1.484 1
1 5 . 17 1 1 A 10 10 HIS CB C 10 32.490 27.125 5.365 1
1 6 . 17 1 1 A 11 11 GLY H H 11 8.463 8.104 0.359 1
1 7 . 17 1 1 A 11 11 GLY HA2 H 11 3.930 3.782 0.148 1
1 8 . 17 1 1 A 11 11 GLY HA3 H 11 3.989 3.826 0.163 1
1 9 . 17 1 1 A 11 11 GLY C C 11 173.720 172.831 0.889 1
1 10 . 17 1 1 A 11 11 GLY CA C 11 45.450 46.904 -1.454 1
1 11 . 17 1 1 A 11 11 GLY N N 11 110.200 106.544 3.656 1
1 12 . 17 1 1 A 12 12 ASP H H 12 8.174 8.303 -0.129 1
1 13 . 17 1 1 A 12 12 ASP HA H 12 4.656 4.960 -0.304 1
1 16 . 17 1 1 A 12 12 ASP C C 12 174.950 176.303 -1.353 1
1 17 . 17 1 1 A 12 12 ASP CA C 12 54.140 53.786 0.354 1
1 18 . 17 1 1 A 12 12 ASP CB C 12 41.370 42.161 -0.791 1
1 19 . 17 1 1 A 12 12 ASP N N 12 120.300 124.608 -4.308 1
1 20 . 17 1 1 A 13 13 ASP H H 13 8.405 9.079 -0.674 1
1 21 . 17 1 1 A 13 13 ASP HA H 13 4.630 4.224 0.406 1
1 24 . 17 1 1 A 13 13 ASP C C 13 176.040 175.694 0.346 1
1 25 . 17 1 1 A 13 13 ASP CA C 13 53.910 55.155 -1.245 1
1 26 . 17 1 1 A 13 13 ASP CB C 13 40.840 40.284 0.556 1
1 27 . 17 1 1 A 13 13 ASP N N 13 121.700 125.121 -3.421 1
1 28 . 17 1 1 A 14 14 SER H H 14 8.120 7.833 0.287 1
1 29 . 17 1 1 A 14 14 SER HA H 14 4.570 4.940 -0.370 1
1 32 . 17 1 1 A 14 14 SER C C 14 173.350 174.158 -0.808 1
1 33 . 17 1 1 A 14 14 SER CA C 14 59.250 58.046 1.204 1
1 34 . 17 1 1 A 14 14 SER CB C 14 64.956 63.918 1.038 1
1 35 . 17 1 1 A 14 14 SER N N 14 114.400 112.668 1.732 1
1 36 . 17 1 1 A 15 15 VAL H H 15 8.859 8.591 0.268 1
1 37 . 17 1 1 A 15 15 VAL HA H 15 4.754 4.144 0.610 1
1 45 . 17 1 1 A 15 15 VAL C C 15 174.290 174.999 -0.709 1
1 46 . 17 1 1 A 15 15 VAL CA C 15 59.546 61.708 -2.162 1
1 47 . 17 1 1 A 15 15 VAL CB C 15 34.830 32.318 2.512 1
1 50 . 17 1 1 A 15 15 VAL N N 15 118.659 122.144 -3.485 1
1 51 . 17 1 1 A 16 16 HIS H H 16 9.376 8.779 0.597 1
1 52 . 17 1 1 A 16 16 HIS HA H 16 5.030 4.931 0.099 1
1 56 . 17 1 1 A 16 16 HIS C C 16 173.700 173.617 0.083 1
1 57 . 17 1 1 A 16 16 HIS CA C 16 54.914 54.229 0.685 1
1 58 . 17 1 1 A 16 16 HIS CB C 16 30.300 30.912 -0.612 1
1 60 . 17 1 1 A 16 16 HIS N N 16 126.974 125.454 1.520 1
1 61 . 17 1 1 A 17 17 LEU H H 17 8.888 9.422 -0.534 1
1 62 . 17 1 1 A 17 17 LEU HA H 17 5.100 5.042 0.058 1
1 72 . 17 1 1 A 17 17 LEU C C 17 175.750 176.151 -0.401 1
1 73 . 17 1 1 A 17 17 LEU CA C 17 53.160 53.327 -0.167 1
1 74 . 17 1 1 A 17 17 LEU CB C 17 44.890 45.277 -0.387 1
1 78 . 17 1 1 A 17 17 LEU N N 17 126.426 129.073 -2.647 1
1 79 . 17 1 1 A 18 18 HIS H H 18 8.610 9.156 -0.546 1
1 80 . 17 1 1 A 18 18 HIS HA H 18 5.191 5.027 0.164 1
1 84 . 17 1 1 A 18 18 HIS C C 18 174.120 174.580 -0.460 1
1 85 . 17 1 1 A 18 18 HIS CA C 18 55.120 54.182 0.938 1
1 86 . 17 1 1 A 18 18 HIS CB C 18 31.000 31.397 -0.397 1
1 88 . 17 1 1 A 18 18 HIS N N 18 120.309 119.670 0.639 1
1 89 . 17 1 1 A 19 19 ILE H H 19 9.050 8.900 0.150 1
1 90 . 17 1 1 A 19 19 ILE HA H 19 5.704 4.514 1.190 1
1 100 . 17 1 1 A 19 19 ILE C C 19 175.890 175.554 0.336 1
1 101 . 17 1 1 A 19 19 ILE CA C 19 60.250 61.357 -1.107 1
1 102 . 17 1 1 A 19 19 ILE CB C 19 40.500 37.155 3.345 1
1 106 . 17 1 1 A 19 19 ILE N N 19 123.672 125.898 -2.226 1
1 107 . 17 1 1 A 20 20 THR H H 20 9.224 8.556 0.668 1
1 108 . 17 1 1 A 20 20 THR HA H 20 4.970 4.981 -0.011 1
1 110 . 17 1 1 A 20 20 THR C C 20 172.920 173.596 -0.676 1
1 111 . 17 1 1 A 20 20 THR CA C 20 60.960 61.087 -0.127 1
1 112 . 17 1 1 A 20 20 THR CB C 20 71.732 69.947 1.785 1
1 114 . 17 1 1 A 20 20 THR N N 20 117.905 119.551 -1.646 1
1 115 . 17 1 1 A 21 21 HIS H H 21 9.755 8.686 1.069 1
1 116 . 17 1 1 A 21 21 HIS HA H 21 5.053 4.869 0.184 1
1 121 . 17 1 1 A 21 21 HIS C C 21 175.830 175.646 0.184 1
1 122 . 17 1 1 A 21 21 HIS CA C 21 55.561 55.638 -0.077 1
1 123 . 17 1 1 A 21 21 HIS CB C 21 36.450 31.276 5.174 1
1 126 . 17 1 1 A 21 21 HIS N N 21 122.170 126.536 -4.366 1
1 127 . 17 1 1 A 22 22 ALA H H 22 9.098 8.561 0.537 1
1 128 . 17 1 1 A 22 22 ALA HA H 22 4.116 3.949 0.167 1
1 132 . 17 1 1 A 22 22 ALA C C 22 178.340 179.173 -0.833 1
1 133 . 17 1 1 A 22 22 ALA CA C 22 54.670 54.748 -0.078 1
1 134 . 17 1 1 A 22 22 ALA CB C 22 20.870 18.184 2.686 1
1 135 . 17 1 1 A 22 22 ALA N N 22 128.332 129.170 -0.838 1
1 136 . 17 1 1 A 23 23 ASN H H 23 10.395 8.310 2.085 1
1 137 . 17 1 1 A 23 23 ASN HA H 23 5.066 4.346 0.720 1
1 142 . 17 1 1 A 23 23 ASN C C 23 175.090 175.310 -0.220 1
1 143 . 17 1 1 A 23 23 ASN CA C 23 53.649 56.481 -2.832 1
1 144 . 17 1 1 A 23 23 ASN CB C 23 41.160 38.627 2.533 1
1 145 . 17 1 1 A 23 23 ASN N N 23 116.400 117.126 -0.726 1
1 147 . 17 1 1 A 24 24 LEU H H 24 7.752 7.842 -0.090 1
1 148 . 17 1 1 A 24 24 LEU HA H 24 4.637 4.498 0.139 1
1 157 . 17 1 1 A 24 24 LEU C C 24 176.810 176.596 0.214 1
1 158 . 17 1 1 A 24 24 LEU CA C 24 53.380 54.407 -1.027 1
1 159 . 17 1 1 A 24 24 LEU CB C 24 41.630 42.822 -1.192 1
1 162 . 17 1 1 A 24 24 LEU N N 24 122.870 117.551 5.319 1
1 163 . 17 1 1 A 25 25 LYS H H 25 8.491 8.519 -0.028 1
1 164 . 17 1 1 A 25 25 LYS HA H 25 4.196 4.351 -0.155 1
1 171 . 17 1 1 A 25 25 LYS C C 25 177.530 178.169 -0.639 1
1 172 . 17 1 1 A 25 25 LYS CA C 25 59.270 58.684 0.586 1
1 173 . 17 1 1 A 25 25 LYS CB C 25 32.300 32.423 -0.123 1
1 177 . 17 1 1 A 25 25 LYS N N 25 124.310 127.243 -2.933 1
1 178 . 17 1 1 A 26 26 SER H H 26 8.512 7.840 0.672 1
1 179 . 17 1 1 A 26 26 SER HA H 26 4.513 4.431 0.082 1
1 182 . 17 1 1 A 26 26 SER C C 26 174.090 174.425 -0.335 1
1 183 . 17 1 1 A 26 26 SER CA C 26 58.200 59.805 -1.605 1
1 184 . 17 1 1 A 26 26 SER CB C 26 63.487 63.243 0.244 1
1 185 . 17 1 1 A 26 26 SER N N 26 111.482 114.450 -2.968 1
1 186 . 17 1 1 A 27 27 PHE H H 27 7.723 8.241 -0.518 1
1 187 . 17 1 1 A 27 27 PHE HA H 27 4.463 4.874 -0.411 1
1 194 . 17 1 1 A 27 27 PHE C C 27 175.270 173.734 1.536 1
1 195 . 17 1 1 A 27 27 PHE CA C 27 59.290 55.869 3.421 1
1 196 . 17 1 1 A 27 27 PHE CB C 27 40.440 39.955 0.485 1
1 201 . 17 1 1 A 27 27 PHE N N 27 123.451 123.095 0.356 1
1 202 . 17 1 1 A 28 28 SER H H 28 7.702 8.784 -1.082 1
1 203 . 17 1 1 A 28 28 SER HA H 28 4.630 4.951 -0.321 1
1 206 . 17 1 1 A 28 28 SER C C 28 172.060 173.049 -0.989 1
1 207 . 17 1 1 A 28 28 SER CA C 28 57.700 56.446 1.254 1
1 208 . 17 1 1 A 28 28 SER CB C 28 64.600 64.425 0.175 1
1 209 . 17 1 1 A 28 28 SER N N 28 123.039 123.337 -0.298 1
1 210 . 17 1 1 A 29 29 ALA H H 29 8.154 8.495 -0.341 1
1 211 . 17 1 1 A 29 29 ALA HA H 29 4.655 4.168 0.487 1
1 215 . 17 1 1 A 29 29 ALA C C 29 174.090 176.204 -2.114 1
1 216 . 17 1 1 A 29 29 ALA CA C 29 51.300 51.525 -0.225 1
1 217 . 17 1 1 A 29 29 ALA CB C 29 22.900 18.778 4.122 1
1 218 . 17 1 1 A 29 29 ALA N N 29 124.700 130.405 -5.705 1
1 219 . 17 1 1 A 30 30 ASP H H 30 8.395 8.826 -0.431 1
1 220 . 17 1 1 A 30 30 ASP HA H 30 5.532 4.750 0.782 1
1 223 . 17 1 1 A 30 30 ASP C C 30 174.320 175.339 -1.019 1
1 224 . 17 1 1 A 30 30 ASP CA C 30 53.870 54.160 -0.290 1
1 225 . 17 1 1 A 30 30 ASP CB C 30 44.420 41.353 3.067 1
1 226 . 17 1 1 A 30 30 ASP N N 30 117.900 126.422 -8.522 1
1 227 . 17 1 1 A 31 31 ALA H H 31 8.866 8.737 0.129 1
1 228 . 17 1 1 A 31 31 ALA HA H 31 4.554 5.222 -0.668 1
1 232 . 17 1 1 A 31 31 ALA C C 31 174.240 175.936 -1.696 1
1 233 . 17 1 1 A 31 31 ALA CA C 31 51.710 50.036 1.674 1
1 234 . 17 1 1 A 31 31 ALA CB C 31 22.710 23.107 -0.397 1
1 235 . 17 1 1 A 31 31 ALA N N 31 121.463 128.516 -7.053 1
1 236 . 17 1 1 A 32 32 ARG H H 32 8.056 8.699 -0.643 1
1 237 . 17 1 1 A 32 32 ARG HA H 32 5.232 5.803 -0.571 1
1 244 . 17 1 1 A 32 32 ARG C C 32 175.610 174.138 1.472 1
1 245 . 17 1 1 A 32 32 ARG CA C 32 54.780 54.623 0.157 1
1 246 . 17 1 1 A 32 32 ARG CB C 32 31.840 33.195 -1.355 1
1 249 . 17 1 1 A 32 32 ARG N N 32 119.065 117.220 1.845 1
1 250 . 17 1 1 A 33 33 PHE H H 33 8.787 8.944 -0.157 1
1 251 . 17 1 1 A 33 33 PHE HA H 33 4.900 5.250 -0.350 1
1 258 . 17 1 1 A 33 33 PHE C C 33 175.050 174.930 0.120 1
1 259 . 17 1 1 A 33 33 PHE CA C 33 55.790 56.486 -0.696 1
1 260 . 17 1 1 A 33 33 PHE CB C 33 43.300 43.850 -0.550 1
1 265 . 17 1 1 A 33 33 PHE N N 33 119.356 121.513 -2.157 1
1 266 . 17 1 1 A 34 34 SER H H 34 8.361 8.920 -0.559 1
1 267 . 17 1 1 A 34 34 SER HA H 34 4.910 5.063 -0.153 1
1 268 . 17 1 1 A 34 34 SER CA C 34 55.270 56.340 -1.070 1
1 269 . 17 1 1 A 34 34 SER CB C 34 64.310 63.923 0.387 1
1 270 . 17 1 1 A 34 34 SER N N 34 118.000 114.847 3.153 1
1 271 . 17 1 1 A 35 35 PRO HA H 35 4.183 4.646 -0.463 1
1 278 . 17 1 1 A 35 35 PRO C C 35 176.460 178.093 -1.633 1
1 279 . 17 1 1 A 35 35 PRO CA C 35 64.120 64.717 -0.597 1
1 280 . 17 1 1 A 35 35 PRO CB C 35 32.140 31.798 0.342 1
1 283 . 17 1 1 A 36 36 GLN H H 36 8.013 8.662 -0.649 1
1 284 . 17 1 1 A 36 36 GLN HA H 36 4.278 4.268 0.010 1
1 291 . 17 1 1 A 36 36 GLN C C 36 176.630 176.101 0.529 1
1 292 . 17 1 1 A 36 36 GLN CA C 36 56.600 57.667 -1.067 1
1 293 . 17 1 1 A 36 36 GLN CB C 36 29.380 28.938 0.442 1
1 295 . 17 1 1 A 36 36 GLN N N 36 114.700 117.302 -2.602 1
1 297 . 17 1 1 A 37 37 MET H H 37 7.628 7.849 -0.221 1
1 298 . 17 1 1 A 37 37 MET HA H 37 4.314 4.408 -0.094 1
1 303 . 17 1 1 A 37 37 MET C C 37 174.480 175.790 -1.310 1
1 304 . 17 1 1 A 37 37 MET CA C 37 56.260 56.208 0.052 1
1 305 . 17 1 1 A 37 37 MET CB C 37 34.890 33.513 1.377 1
1 307 . 17 1 1 A 37 37 MET N N 37 120.895 121.800 -0.905 1
1 308 . 17 1 1 A 38 38 SER H H 38 8.740 8.326 0.414 1
1 309 . 17 1 1 A 38 38 SER HA H 38 4.650 4.910 -0.260 1
1 312 . 17 1 1 A 38 38 SER C C 38 175.320 175.949 -0.629 1
1 313 . 17 1 1 A 38 38 SER CA C 38 57.555 55.898 1.657 1
1 314 . 17 1 1 A 38 38 SER CB C 38 64.800 66.573 -1.773 1
1 315 . 17 1 1 A 38 38 SER N N 38 119.800 118.027 1.773 1
1 316 . 17 1 1 A 39 39 VAL H H 39 8.619 8.456 0.163 1
1 317 . 17 1 1 A 39 39 VAL HA H 39 3.405 3.557 -0.152 1
1 325 . 17 1 1 A 39 39 VAL C C 39 177.950 177.692 0.258 1
1 326 . 17 1 1 A 39 39 VAL CA C 39 68.010 66.156 1.854 1
1 327 . 17 1 1 A 39 39 VAL CB C 39 31.830 31.365 0.465 1
1 330 . 17 1 1 A 39 39 VAL N N 39 122.324 121.513 0.811 1
1 331 . 17 1 1 A 40 40 GLU H H 40 8.737 8.672 0.065 1
1 332 . 17 1 1 A 40 40 GLU HA H 40 3.743 3.869 -0.126 1
1 337 . 17 1 1 A 40 40 GLU C C 40 177.450 178.362 -0.912 1
1 338 . 17 1 1 A 40 40 GLU CA C 40 60.570 59.549 1.021 1
1 339 . 17 1 1 A 40 40 GLU CB C 40 30.000 29.569 0.431 1
1 341 . 17 1 1 A 40 40 GLU N N 40 120.358 120.559 -0.201 1
1 342 . 17 1 1 A 41 41 ALA H H 41 8.056 7.486 0.570 1
1 343 . 17 1 1 A 41 41 ALA HA H 41 4.275 4.026 0.249 1
1 347 . 17 1 1 A 41 41 ALA C C 41 181.560 179.625 1.935 1
1 348 . 17 1 1 A 41 41 ALA CA C 41 55.080 55.183 -0.103 1
1 349 . 17 1 1 A 41 41 ALA CB C 41 18.570 18.397 0.173 1
1 350 . 17 1 1 A 41 41 ALA N N 41 123.045 122.365 0.680 1
1 351 . 17 1 1 A 42 42 VAL H H 42 8.519 7.541 0.978 1
1 352 . 17 1 1 A 42 42 VAL HA H 42 3.456 3.798 -0.342 1
1 360 . 17 1 1 A 42 42 VAL C C 42 177.950 178.003 -0.053 1
1 361 . 17 1 1 A 42 42 VAL CA C 42 67.440 64.841 2.599 1
1 362 . 17 1 1 A 42 42 VAL CB C 42 31.370 31.349 0.021 1
1 365 . 17 1 1 A 42 42 VAL N N 42 122.576 117.223 5.353 1
1 366 . 17 1 1 A 43 43 LYS H H 43 8.660 7.800 0.860 1
1 367 . 17 1 1 A 43 43 LYS HA H 43 3.905 3.873 0.032 1
1 374 . 17 1 1 A 43 43 LYS C C 43 178.490 179.034 -0.544 1
1 375 . 17 1 1 A 43 43 LYS CA C 43 61.080 60.438 0.642 1
1 376 . 17 1 1 A 43 43 LYS CB C 43 33.450 32.135 1.315 1
1 380 . 17 1 1 A 43 43 LYS N N 43 118.752 122.339 -3.587 1
1 381 . 17 1 1 A 44 44 GLU H H 44 8.109 7.876 0.233 1
1 382 . 17 1 1 A 44 44 GLU HA H 44 4.100 4.173 -0.073 1
1 387 . 17 1 1 A 44 44 GLU C C 44 178.760 178.762 -0.002 1
1 388 . 17 1 1 A 44 44 GLU CA C 44 60.560 59.136 1.424 1
1 389 . 17 1 1 A 44 44 GLU CB C 44 29.700 29.263 0.437 1
1 391 . 17 1 1 A 44 44 GLU N N 44 118.904 119.816 -0.912 1
1 392 . 17 1 1 A 45 45 LYS H H 45 7.868 7.883 -0.015 1
1 393 . 17 1 1 A 45 45 LYS HA H 45 4.147 4.255 -0.108 1
1 400 . 17 1 1 A 45 45 LYS C C 45 180.020 179.009 1.011 1
1 401 . 17 1 1 A 45 45 LYS CA C 45 59.210 58.834 0.376 1
1 402 . 17 1 1 A 45 45 LYS CB C 45 32.540 31.945 0.595 1
1 406 . 17 1 1 A 45 45 LYS N N 45 118.353 120.005 -1.652 1
1 407 . 17 1 1 A 46 46 LEU H H 46 8.538 8.069 0.469 1
1 408 . 17 1 1 A 46 46 LEU HA H 46 4.147 4.156 -0.009 1
1 418 . 17 1 1 A 46 46 LEU C C 46 179.950 179.236 0.714 1
1 419 . 17 1 1 A 46 46 LEU CA C 46 57.900 57.039 0.861 1
1 420 . 17 1 1 A 46 46 LEU CB C 46 40.800 41.793 -0.993 1
1 424 . 17 1 1 A 46 46 LEU N N 46 118.568 119.053 -0.485 1
1 425 . 17 1 1 A 47 47 TRP H H 47 9.308 7.927 1.381 1
1 426 . 17 1 1 A 47 47 TRP HA H 47 4.636 4.208 0.428 1
1 435 . 17 1 1 A 47 47 TRP C C 47 179.040 178.592 0.448 1
1 436 . 17 1 1 A 47 47 TRP CA C 47 60.312 60.938 -0.626 1
1 437 . 17 1 1 A 47 47 TRP CB C 47 28.080 29.647 -1.567 1
1 443 . 17 1 1 A 47 47 TRP N N 47 127.808 121.080 6.728 1
1 445 . 17 1 1 A 48 48 LYS H H 48 7.362 8.720 -1.358 1
1 446 . 17 1 1 A 48 48 LYS HA H 48 3.238 4.078 -0.840 1
1 453 . 17 1 1 A 48 48 LYS C C 48 177.660 178.961 -1.301 1
1 454 . 17 1 1 A 48 48 LYS CA C 48 58.360 58.291 0.069 1
1 455 . 17 1 1 A 48 48 LYS CB C 48 32.090 31.697 0.393 1
1 459 . 17 1 1 A 48 48 LYS N N 48 118.583 118.679 -0.096 1
1 460 . 17 1 1 A 49 49 LYS H H 49 7.339 7.857 -0.518 1
1 461 . 17 1 1 A 49 49 LYS HA H 49 4.388 4.124 0.264 1
1 468 . 17 1 1 A 49 49 LYS C C 49 177.120 177.653 -0.533 1
1 469 . 17 1 1 A 49 49 LYS CA C 49 57.469 58.911 -1.442 1
1 470 . 17 1 1 A 49 49 LYS CB C 49 33.990 33.464 0.526 1
1 474 . 17 1 1 A 49 49 LYS N N 49 114.530 119.719 -5.189 1
1 475 . 17 1 1 A 50 50 CYS H H 50 8.092 7.601 0.491 1
1 476 . 17 1 1 A 50 50 CYS HA H 50 4.880 4.693 0.187 1
1 479 . 17 1 1 A 50 50 CYS C C 50 174.560 175.273 -0.713 1
1 480 . 17 1 1 A 50 50 CYS CA C 50 57.213 60.581 -3.368 1
1 481 . 17 1 1 A 50 50 CYS CB C 50 31.470 29.873 1.597 1
1 482 . 17 1 1 A 50 50 CYS N N 50 110.536 115.929 -5.393 1
1 483 . 17 1 1 A 51 51 GLY H H 51 8.644 7.376 1.268 1
1 484 . 17 1 1 A 51 51 GLY HA2 H 51 4.248 3.845 0.403 1
1 485 . 17 1 1 A 51 51 GLY HA3 H 51 3.650 3.981 -0.331 1
1 486 . 17 1 1 A 51 51 GLY C C 51 173.800 174.221 -0.421 1
1 487 . 17 1 1 A 51 51 GLY CA C 51 46.390 45.352 1.038 1
1 488 . 17 1 1 A 51 51 GLY N N 51 113.666 107.682 5.984 1
1 489 . 17 1 1 A 52 52 THR H H 52 7.781 7.594 0.187 1
1 490 . 17 1 1 A 52 52 THR HA H 52 4.277 4.571 -0.294 1
1 495 . 17 1 1 A 52 52 THR C C 52 172.080 174.672 -2.592 1
1 496 . 17 1 1 A 52 52 THR CA C 52 63.630 61.092 2.538 1
1 497 . 17 1 1 A 52 52 THR CB C 52 69.720 66.862 2.858 1
1 499 . 17 1 1 A 52 52 THR N N 52 121.643 116.235 5.408 1
1 500 . 17 1 1 A 53 53 SER H H 53 8.606 8.568 0.038 1
1 501 . 17 1 1 A 53 53 SER HA H 53 3.775 4.613 -0.838 1
1 504 . 17 1 1 A 53 53 SER C C 53 175.890 173.766 2.124 1
1 505 . 17 1 1 A 53 53 SER CA C 53 58.590 58.707 -0.117 1
1 506 . 17 1 1 A 53 53 SER CB C 53 63.620 63.402 0.218 1
1 507 . 17 1 1 A 53 53 SER N N 53 120.903 122.770 -1.867 1
1 508 . 17 1 1 A 54 54 VAL H H 54 7.895 8.012 -0.117 1
1 509 . 17 1 1 A 54 54 VAL HA H 54 3.563 3.800 -0.237 1
1 517 . 17 1 1 A 54 54 VAL C C 54 178.260 175.703 2.557 1
1 518 . 17 1 1 A 54 54 VAL CA C 54 66.600 62.588 4.012 1
1 519 . 17 1 1 A 54 54 VAL CB C 54 31.630 30.071 1.559 1
1 522 . 17 1 1 A 54 54 VAL N N 54 121.121 117.801 3.320 1
1 523 . 17 1 1 A 55 55 ASN H H 55 8.148 8.109 0.039 1
1 524 . 17 1 1 A 55 55 ASN HA H 55 4.496 4.995 -0.499 1
1 529 . 17 1 1 A 55 55 ASN C C 55 175.640 177.023 -1.383 1
1 530 . 17 1 1 A 55 55 ASN CA C 55 54.875 54.891 -0.016 1
1 531 . 17 1 1 A 55 55 ASN CB C 55 38.120 40.093 -1.973 1
1 532 . 17 1 1 A 55 55 ASN N N 55 115.018 121.406 -6.388 1
1 534 . 17 1 1 A 56 56 SER H H 56 7.559 8.002 -0.443 1
1 535 . 17 1 1 A 56 56 SER HA H 56 4.585 4.566 0.019 1
1 538 . 17 1 1 A 56 56 SER C C 56 171.180 174.253 -3.073 1
1 539 . 17 1 1 A 56 56 SER CA C 56 57.260 58.106 -0.846 1
1 540 . 17 1 1 A 56 56 SER CB C 56 64.260 63.635 0.625 1
1 541 . 17 1 1 A 56 56 SER N N 56 114.545 113.069 1.476 1
1 542 . 17 1 1 A 57 57 MET H H 57 7.177 7.718 -0.541 1
1 543 . 17 1 1 A 57 57 MET HA H 57 4.785 4.482 0.303 1
1 548 . 17 1 1 A 57 57 MET C C 57 175.400 175.136 0.264 1
1 549 . 17 1 1 A 57 57 MET CA C 57 55.631 54.478 1.153 1
1 550 . 17 1 1 A 57 57 MET CB C 57 36.740 32.424 4.316 1
1 552 . 17 1 1 A 57 57 MET N N 57 120.883 121.810 -0.927 1
1 553 . 17 1 1 A 58 58 ALA H H 58 9.226 8.016 1.210 1
1 554 . 17 1 1 A 58 58 ALA HA H 58 4.723 4.541 0.182 1
1 558 . 17 1 1 A 58 58 ALA C C 58 175.360 176.876 -1.516 1
1 559 . 17 1 1 A 58 58 ALA CA C 58 50.327 52.240 -1.913 1
1 560 . 17 1 1 A 58 58 ALA CB C 58 21.580 19.189 2.391 1
1 561 . 17 1 1 A 58 58 ALA N N 58 129.559 129.502 0.057 1
1 562 . 17 1 1 A 59 59 LEU H H 59 8.307 9.095 -0.788 1
1 563 . 17 1 1 A 59 59 LEU HA H 59 5.393 5.072 0.321 1
1 573 . 17 1 1 A 59 59 LEU C C 59 175.470 176.130 -0.660 1
1 574 . 17 1 1 A 59 59 LEU CA C 59 52.970 53.688 -0.718 1
1 575 . 17 1 1 A 59 59 LEU CB C 59 47.410 42.888 4.522 1
1 579 . 17 1 1 A 59 59 LEU N N 59 118.793 125.217 -6.424 1
1 580 . 17 1 1 A 60 60 GLU H H 60 8.978 9.154 -0.176 1
1 581 . 17 1 1 A 60 60 GLU HA H 60 4.789 4.679 0.110 1
1 586 . 17 1 1 A 60 60 GLU C C 60 173.670 175.734 -2.064 1
1 587 . 17 1 1 A 60 60 GLU CA C 60 54.246 56.364 -2.118 1
1 588 . 17 1 1 A 60 60 GLU CB C 60 35.470 30.545 4.925 1
1 590 . 17 1 1 A 60 60 GLU N N 60 121.100 125.019 -3.919 1
1 591 . 17 1 1 A 61 61 LEU H H 61 8.651 8.861 -0.210 1
1 592 . 17 1 1 A 61 61 LEU HA H 61 5.541 4.984 0.557 1
1 602 . 17 1 1 A 61 61 LEU C C 61 174.270 174.352 -0.082 1
1 603 . 17 1 1 A 61 61 LEU CA C 61 53.120 53.538 -0.418 1
1 604 . 17 1 1 A 61 61 LEU CB C 61 46.890 43.596 3.294 1
1 608 . 17 1 1 A 61 61 LEU N N 61 122.689 127.273 -4.584 1
1 609 . 17 1 1 A 62 62 TYR H H 62 10.028 9.334 0.694 1
1 610 . 17 1 1 A 62 62 TYR HA H 62 5.096 5.068 0.028 1
1 617 . 17 1 1 A 62 62 TYR C C 62 175.180 175.663 -0.483 1
1 618 . 17 1 1 A 62 62 TYR CA C 62 56.520 57.335 -0.815 1
1 619 . 17 1 1 A 62 62 TYR CB C 62 42.520 40.537 1.983 1
1 624 . 17 1 1 A 62 62 TYR N N 62 126.875 126.992 -0.117 1
1 625 . 17 1 1 A 63 63 ASP H H 63 8.573 8.048 0.525 1
1 626 . 17 1 1 A 63 63 ASP HA H 63 2.824 4.326 -1.502 1
1 629 . 17 1 1 A 63 63 ASP C C 63 176.470 176.018 0.452 1
1 630 . 17 1 1 A 63 63 ASP CA C 63 51.490 53.198 -1.708 1
1 631 . 17 1 1 A 63 63 ASP CB C 63 41.490 39.574 1.916 1
1 632 . 17 1 1 A 63 63 ASP N N 63 118.563 121.803 -3.240 1
1 633 . 17 1 1 A 64 64 ASP H H 64 8.319 8.410 -0.091 1
1 634 . 17 1 1 A 64 64 ASP HA H 64 4.396 4.197 0.199 1
1 637 . 17 1 1 A 64 64 ASP C C 64 176.670 174.979 1.691 1
1 638 . 17 1 1 A 64 64 ASP CA C 64 55.270 54.866 0.404 1
1 639 . 17 1 1 A 64 64 ASP CB C 64 39.540 39.383 0.157 1
1 640 . 17 1 1 A 64 64 ASP N N 64 114.728 118.998 -4.270 1
1 641 . 17 1 1 A 65 65 SER H H 65 8.305 8.468 -0.163 1
1 642 . 17 1 1 A 65 65 SER HA H 65 4.640 4.015 0.625 1
1 645 . 17 1 1 A 65 65 SER C C 65 174.700 174.150 0.550 1
1 646 . 17 1 1 A 65 65 SER CA C 65 58.550 59.953 -1.403 1
1 647 . 17 1 1 A 65 65 SER CB C 65 64.393 61.542 2.851 1
1 648 . 17 1 1 A 65 65 SER N N 65 115.837 107.192 8.645 1
1 649 . 17 1 1 A 66 66 GLY H H 66 7.876 8.186 -0.310 1
1 650 . 17 1 1 A 66 66 GLY HA2 H 66 4.284 3.815 0.469 1
1 651 . 17 1 1 A 66 66 GLY HA3 H 66 3.679 3.820 -0.141 1
1 652 . 17 1 1 A 66 66 GLY C C 66 174.550 174.868 -0.318 1
1 653 . 17 1 1 A 66 66 GLY CA C 66 45.570 46.872 -1.302 1
1 654 . 17 1 1 A 66 66 GLY N N 66 109.151 107.817 1.334 1
1 655 . 17 1 1 A 67 67 SER H H 67 8.416 8.930 -0.514 1
1 656 . 17 1 1 A 67 67 SER HA H 67 4.583 5.155 -0.572 1
1 659 . 17 1 1 A 67 67 SER C C 67 173.680 172.975 0.705 1
1 660 . 17 1 1 A 67 67 SER CA C 67 58.070 56.718 1.352 1
1 661 . 17 1 1 A 67 67 SER CB C 67 63.300 66.786 -3.486 1
1 662 . 17 1 1 A 67 67 SER N N 67 119.156 110.252 8.904 1
1 663 . 17 1 1 A 68 68 LYS H H 68 8.880 8.467 0.413 1
1 664 . 17 1 1 A 68 68 LYS HA H 68 3.233 4.204 -0.971 1
1 671 . 17 1 1 A 68 68 LYS C C 68 176.440 177.018 -0.578 1
1 672 . 17 1 1 A 68 68 LYS CA C 68 57.920 54.995 2.925 1
1 673 . 17 1 1 A 68 68 LYS CB C 68 31.822 31.787 0.035 1
1 677 . 17 1 1 A 68 68 LYS N N 68 128.005 119.556 8.449 1
1 678 . 17 1 1 A 69 69 VAL H H 69 9.215 7.971 1.244 1
1 679 . 17 1 1 A 69 69 VAL HA H 69 4.185 4.262 -0.077 1
1 687 . 17 1 1 A 69 69 VAL C C 69 176.170 175.595 0.575 1
1 688 . 17 1 1 A 69 69 VAL CA C 69 62.860 61.090 1.770 1
1 689 . 17 1 1 A 69 69 VAL CB C 69 33.660 31.666 1.994 1
1 692 . 17 1 1 A 69 69 VAL N N 69 126.574 120.904 5.670 1
1 693 . 17 1 1 A 70 70 ALA H H 70 7.647 7.140 0.507 1
1 694 . 17 1 1 A 70 70 ALA HA H 70 4.614 4.318 0.296 1
1 698 . 17 1 1 A 70 70 ALA C C 70 175.170 176.150 -0.980 1
1 699 . 17 1 1 A 70 70 ALA CA C 70 52.400 51.753 0.647 1
1 700 . 17 1 1 A 70 70 ALA CB C 70 23.350 17.366 5.984 1
1 701 . 17 1 1 A 70 70 ALA N N 70 118.268 126.162 -7.894 1
1 702 . 17 1 1 A 71 71 VAL H H 71 8.428 8.201 0.227 1
1 703 . 17 1 1 A 71 71 VAL HA H 71 4.216 4.657 -0.441 1
1 711 . 17 1 1 A 71 71 VAL C C 71 175.810 173.261 2.549 1
1 712 . 17 1 1 A 71 71 VAL CA C 71 62.380 60.574 1.806 1
1 713 . 17 1 1 A 71 71 VAL CB C 71 33.120 34.050 -0.930 1
1 716 . 17 1 1 A 71 71 VAL N N 71 119.624 121.800 -2.176 1
1 717 . 17 1 1 A 72 72 LEU H H 72 8.333 8.872 -0.539 1
1 718 . 17 1 1 A 72 72 LEU HA H 72 3.882 4.739 -0.857 1
1 728 . 17 1 1 A 72 72 LEU C C 72 176.580 175.462 1.118 1
1 729 . 17 1 1 A 72 72 LEU CA C 72 54.600 53.554 1.046 1
1 730 . 17 1 1 A 72 72 LEU CB C 72 37.880 43.532 -5.652 1
1 734 . 17 1 1 A 72 72 LEU N N 72 130.241 130.493 -0.252 1
1 735 . 17 1 1 A 73 73 SER H H 73 7.865 8.825 -0.960 1
1 736 . 17 1 1 A 73 73 SER HA H 73 4.304 4.553 -0.249 1
1 739 . 17 1 1 A 73 73 SER C C 73 173.470 174.032 -0.562 1
1 740 . 17 1 1 A 73 73 SER CA C 73 59.400 60.189 -0.789 1
1 741 . 17 1 1 A 73 73 SER CB C 73 64.230 64.005 0.225 1
1 742 . 17 1 1 A 73 73 SER N N 73 116.577 122.107 -5.530 1
1 743 . 17 1 1 A 74 74 ASP H H 74 7.553 7.990 -0.437 1
1 744 . 17 1 1 A 74 74 ASP HA H 74 4.858 4.784 0.074 1
1 747 . 17 1 1 A 74 74 ASP C C 74 175.910 175.732 0.178 1
1 748 . 17 1 1 A 74 74 ASP CA C 74 53.057 53.100 -0.043 1
1 749 . 17 1 1 A 74 74 ASP CB C 74 41.720 40.503 1.217 1
1 750 . 17 1 1 A 74 74 ASP N N 74 120.482 120.821 -0.339 1
1 751 . 17 1 1 A 75 75 ASP H H 75 8.601 8.467 0.134 1
1 752 . 17 1 1 A 75 75 ASP HA H 75 4.375 4.776 -0.401 1
1 755 . 17 1 1 A 75 75 ASP C C 75 176.590 177.911 -1.321 1
1 756 . 17 1 1 A 75 75 ASP CA C 75 56.760 53.719 3.041 1
1 757 . 17 1 1 A 75 75 ASP CB C 75 41.310 41.460 -0.150 1
1 758 . 17 1 1 A 75 75 ASP N N 75 125.434 122.703 2.731 1
1 759 . 17 1 1 A 76 76 SER H H 76 8.558 7.801 0.757 1
1 760 . 17 1 1 A 76 76 SER HA H 76 4.463 4.387 0.076 1
1 763 . 17 1 1 A 76 76 SER C C 76 175.630 174.299 1.331 1
1 764 . 17 1 1 A 76 76 SER CA C 76 59.320 59.642 -0.322 1
1 765 . 17 1 1 A 76 76 SER CB C 76 64.255 63.759 0.496 1
1 766 . 17 1 1 A 76 76 SER N N 76 112.502 114.215 -1.713 1
1 767 . 17 1 1 A 77 77 ARG H H 77 7.381 7.536 -0.155 1
1 768 . 17 1 1 A 77 77 ARG HA H 77 4.318 4.466 -0.148 1
1 775 . 17 1 1 A 77 77 ARG CA C 77 53.260 53.315 -0.055 1
1 776 . 17 1 1 A 77 77 ARG CB C 77 30.880 30.026 0.854 1
1 779 . 17 1 1 A 77 77 ARG N N 77 123.368 121.258 2.110 1
1 780 . 17 1 1 A 78 78 PRO HA H 78 4.697 4.550 0.147 1
1 787 . 17 1 1 A 78 78 PRO C C 78 178.090 178.073 0.017 1
1 788 . 17 1 1 A 78 78 PRO CA C 78 61.970 63.225 -1.255 1
1 789 . 17 1 1 A 78 78 PRO CB C 78 31.380 31.833 -0.453 1
1 792 . 17 1 1 A 79 79 LEU H H 79 9.260 8.439 0.821 1
1 793 . 17 1 1 A 79 79 LEU HA H 79 4.099 3.992 0.107 1
1 803 . 17 1 1 A 79 79 LEU C C 79 178.680 179.622 -0.942 1
1 804 . 17 1 1 A 79 79 LEU CA C 79 58.290 57.677 0.613 1
1 805 . 17 1 1 A 79 79 LEU CB C 79 42.160 41.309 0.851 1
1 809 . 17 1 1 A 79 79 LEU N N 79 124.739 123.668 1.071 1
1 810 . 17 1 1 A 80 80 GLY H H 80 9.611 8.222 1.389 1
1 811 . 17 1 1 A 80 80 GLY HA2 H 80 4.003 4.129 -0.126 1
1 812 . 17 1 1 A 80 80 GLY HA3 H 80 3.683 4.145 -0.462 1
1 813 . 17 1 1 A 80 80 GLY C C 80 175.850 175.651 0.199 1
1 814 . 17 1 1 A 80 80 GLY CA C 80 46.830 46.963 -0.133 1
1 815 . 17 1 1 A 80 80 GLY N N 80 102.276 106.552 -4.276 1
1 816 . 17 1 1 A 81 81 PHE H H 81 8.177 8.092 0.085 1
1 817 . 17 1 1 A 81 81 PHE HA H 81 4.090 4.164 -0.074 1
1 822 . 17 1 1 A 81 81 PHE C C 81 175.810 177.754 -1.944 1
1 823 . 17 1 1 A 81 81 PHE CA C 81 60.560 60.802 -0.242 1
1 824 . 17 1 1 A 81 81 PHE CB C 81 39.640 38.996 0.644 1
1 827 . 17 1 1 A 81 81 PHE N N 81 123.413 122.825 0.588 1
1 828 . 17 1 1 A 82 82 PHE H H 82 7.733 7.780 -0.047 1
1 829 . 17 1 1 A 82 82 PHE HA H 82 4.171 4.322 -0.151 1
1 834 . 17 1 1 A 82 82 PHE C C 82 172.960 174.329 -1.369 1
1 835 . 17 1 1 A 82 82 PHE CA C 82 57.730 60.274 -2.544 1
1 836 . 17 1 1 A 82 82 PHE CB C 82 38.670 40.813 -2.143 1
1 839 . 17 1 1 A 82 82 PHE N N 82 114.781 119.599 -4.818 1
1 840 . 17 1 1 A 83 83 SER H H 83 7.541 8.402 -0.861 1
1 841 . 17 1 1 A 83 83 SER HA H 83 3.898 4.879 -0.981 1
1 844 . 17 1 1 A 83 83 SER CA C 83 57.980 55.954 2.026 1
1 845 . 17 1 1 A 83 83 SER CB C 83 61.882 66.198 -4.316 1
1 846 . 17 1 1 A 83 83 SER N N 83 108.622 111.124 -2.502 1
1 847 . 17 1 1 A 85 85 PHE HA H 85 4.447 4.900 -0.453 1
1 854 . 17 1 1 A 85 85 PHE C C 85 173.640 174.371 -0.731 1
1 855 . 17 1 1 A 85 85 PHE CA C 85 55.600 57.062 -1.462 1
1 856 . 17 1 1 A 85 85 PHE CB C 85 42.180 38.429 3.751 1
1 861 . 17 1 1 A 86 86 ASP H H 86 8.469 8.888 -0.419 1
1 862 . 17 1 1 A 86 86 ASP HA H 86 4.934 5.198 -0.264 1
1 865 . 17 1 1 A 86 86 ASP C C 86 177.910 176.914 0.996 1
1 866 . 17 1 1 A 86 86 ASP CA C 86 55.927 52.935 2.992 1
1 867 . 17 1 1 A 86 86 ASP CB C 86 41.109 42.676 -1.567 1
1 868 . 17 1 1 A 86 86 ASP N N 86 119.276 127.190 -7.914 1
1 869 . 17 1 1 A 87 87 GLY H H 87 9.163 9.261 -0.098 1
1 870 . 17 1 1 A 87 87 GLY HA2 H 87 4.570 3.922 0.648 1
1 871 . 17 1 1 A 87 87 GLY HA3 H 87 3.701 4.053 -0.352 1
1 872 . 17 1 1 A 87 87 GLY C C 87 175.180 174.573 0.607 1
1 873 . 17 1 1 A 87 87 GLY CA C 87 45.540 45.717 -0.177 1
1 874 . 17 1 1 A 87 87 GLY N N 87 109.579 114.264 -4.685 1
1 875 . 17 1 1 A 88 88 PHE H H 88 8.270 8.103 0.167 1
1 876 . 17 1 1 A 88 88 PHE HA H 88 4.653 4.740 -0.087 1
1 883 . 17 1 1 A 88 88 PHE C C 88 172.620 175.723 -3.103 1
1 884 . 17 1 1 A 88 88 PHE CA C 88 57.570 59.042 -1.472 1
1 885 . 17 1 1 A 88 88 PHE CB C 88 38.750 39.914 -1.164 1
1 890 . 17 1 1 A 88 88 PHE N N 88 121.300 119.289 2.011 1
1 891 . 17 1 1 A 89 89 ARG H H 89 9.056 9.595 -0.539 1
1 892 . 17 1 1 A 89 89 ARG HA H 89 5.652 5.528 0.124 1
1 899 . 17 1 1 A 89 89 ARG C C 89 174.990 175.252 -0.262 1
1 900 . 17 1 1 A 89 89 ARG CA C 89 54.067 55.315 -1.248 1
1 901 . 17 1 1 A 89 89 ARG CB C 89 35.630 31.986 3.644 1
1 904 . 17 1 1 A 89 89 ARG N N 89 120.200 122.846 -2.646 1
1 905 . 17 1 1 A 90 90 LEU H H 90 9.487 8.997 0.490 1
1 906 . 17 1 1 A 90 90 LEU HA H 90 5.244 4.853 0.391 1
1 916 . 17 1 1 A 90 90 LEU C C 90 173.050 175.430 -2.380 1
1 917 . 17 1 1 A 90 90 LEU CA C 90 53.250 54.227 -0.977 1
1 918 . 17 1 1 A 90 90 LEU CB C 90 44.870 41.575 3.295 1
1 922 . 17 1 1 A 90 90 LEU N N 90 128.373 126.325 2.048 1
1 923 . 17 1 1 A 91 91 HIS H H 91 9.474 9.495 -0.021 1
1 924 . 17 1 1 A 91 91 HIS HA H 91 5.357 5.256 0.101 1
1 929 . 17 1 1 A 91 91 HIS C C 91 173.870 173.364 0.506 1
1 930 . 17 1 1 A 91 91 HIS CA C 91 54.320 54.581 -0.261 1
1 931 . 17 1 1 A 91 91 HIS CB C 91 36.070 30.545 5.525 1
1 934 . 17 1 1 A 91 91 HIS N N 91 125.565 125.400 0.165 1
1 935 . 17 1 1 A 92 92 ILE H H 92 8.341 8.697 -0.356 1
1 936 . 17 1 1 A 92 92 ILE HA H 92 4.045 4.348 -0.303 1
1 946 . 17 1 1 A 92 92 ILE C C 92 173.350 175.473 -2.123 1
1 947 . 17 1 1 A 92 92 ILE CA C 92 61.380 60.859 0.521 1
1 948 . 17 1 1 A 92 92 ILE CB C 92 40.040 37.768 2.272 1
1 952 . 17 1 1 A 92 92 ILE N N 92 126.939 129.011 -2.072 1
1 953 . 17 1 1 A 93 93 ILE H H 93 8.754 9.029 -0.275 1
1 954 . 17 1 1 A 93 93 ILE HA H 93 3.744 4.137 -0.393 1
1 964 . 17 1 1 A 93 93 ILE C C 93 174.450 174.995 -0.545 1
1 965 . 17 1 1 A 93 93 ILE CA C 93 60.480 61.188 -0.708 1
1 966 . 17 1 1 A 93 93 ILE CB C 93 41.250 37.176 4.074 1
1 970 . 17 1 1 A 93 93 ILE N N 93 126.486 128.945 -2.459 1
1 971 . 17 1 1 A 94 94 ASP H H 94 7.976 8.861 -0.885 1
1 972 . 17 1 1 A 94 94 ASP HA H 94 4.881 4.799 0.082 1
1 975 . 17 1 1 A 94 94 ASP C C 94 176.710 176.755 -0.045 1
1 976 . 17 1 1 A 94 94 ASP CA C 94 52.170 53.306 -1.136 1
1 977 . 17 1 1 A 94 94 ASP CB C 94 42.000 39.129 2.871 1
1 978 . 17 1 1 A 94 94 ASP N N 94 124.752 129.345 -4.593 1
1 979 . 17 1 1 A 95 95 LEU H H 95 9.218 8.054 1.164 1
1 980 . 17 1 1 A 95 95 LEU HA H 95 4.111 4.470 -0.359 1
1 990 . 17 1 1 A 95 95 LEU C C 95 177.230 175.582 1.648 1
1 991 . 17 1 1 A 95 95 LEU CA C 95 55.553 55.033 0.520 1
1 992 . 17 1 1 A 95 95 LEU CB C 95 42.380 41.880 0.500 1
1 996 . 17 1 1 A 95 95 LEU N N 95 126.286 120.836 5.450 1
1 997 . 17 1 1 A 96 96 ASP H H 96 8.762 7.897 0.865 1
1 998 . 17 1 1 A 96 96 ASP HA H 96 4.946 4.947 -0.001 1
1 1001 . 17 1 1 A 96 96 ASP CA C 96 52.598 50.922 1.676 1
1 1002 . 17 1 1 A 96 96 ASP CB C 96 41.400 42.213 -0.813 1
1 1 . 18 1 1 A 10 10 HIS HA H 10 4.439 5.104 -0.665 1
1 4 . 18 1 1 A 10 10 HIS CA C 10 55.740 54.191 1.549 1
1 5 . 18 1 1 A 10 10 HIS CB C 10 32.490 31.176 1.314 1
1 6 . 18 1 1 A 11 11 GLY H H 11 8.463 8.733 -0.270 1
1 7 . 18 1 1 A 11 11 GLY HA2 H 11 3.930 4.047 -0.117 1
1 8 . 18 1 1 A 11 11 GLY HA3 H 11 3.989 4.068 -0.079 1
1 9 . 18 1 1 A 11 11 GLY C C 11 173.720 172.022 1.698 1
1 10 . 18 1 1 A 11 11 GLY CA C 11 45.450 44.305 1.145 1
1 11 . 18 1 1 A 11 11 GLY N N 11 110.200 106.790 3.410 1
1 12 . 18 1 1 A 12 12 ASP H H 12 8.174 8.431 -0.257 1
1 13 . 18 1 1 A 12 12 ASP HA H 12 4.656 4.738 -0.082 1
1 16 . 18 1 1 A 12 12 ASP C C 12 174.950 174.866 0.084 1
1 17 . 18 1 1 A 12 12 ASP CA C 12 54.140 53.641 0.499 1
1 18 . 18 1 1 A 12 12 ASP CB C 12 41.370 39.751 1.619 1
1 19 . 18 1 1 A 12 12 ASP N N 12 120.300 120.757 -0.457 1
1 20 . 18 1 1 A 13 13 ASP H H 13 8.405 8.288 0.117 1
1 21 . 18 1 1 A 13 13 ASP HA H 13 4.630 5.146 -0.516 1
1 24 . 18 1 1 A 13 13 ASP C C 13 176.040 174.348 1.692 1
1 25 . 18 1 1 A 13 13 ASP CA C 13 53.910 53.172 0.738 1
1 26 . 18 1 1 A 13 13 ASP CB C 13 40.840 42.181 -1.341 1
1 27 . 18 1 1 A 13 13 ASP N N 13 121.700 126.072 -4.372 1
1 28 . 18 1 1 A 14 14 SER H H 14 8.120 8.489 -0.369 1
1 29 . 18 1 1 A 14 14 SER HA H 14 4.570 5.171 -0.601 1
1 32 . 18 1 1 A 14 14 SER C C 14 173.350 172.720 0.630 1
1 33 . 18 1 1 A 14 14 SER CA C 14 59.250 57.528 1.722 1
1 34 . 18 1 1 A 14 14 SER CB C 14 64.956 67.205 -2.249 1
1 35 . 18 1 1 A 14 14 SER N N 14 114.400 120.641 -6.241 1
1 36 . 18 1 1 A 15 15 VAL H H 15 8.859 8.695 0.164 1
1 37 . 18 1 1 A 15 15 VAL HA H 15 4.754 4.645 0.109 1
1 45 . 18 1 1 A 15 15 VAL C C 15 174.290 175.486 -1.196 1
1 46 . 18 1 1 A 15 15 VAL CA C 15 59.546 61.097 -1.551 1
1 47 . 18 1 1 A 15 15 VAL CB C 15 34.830 33.218 1.612 1
1 50 . 18 1 1 A 15 15 VAL N N 15 118.659 119.458 -0.799 1
1 51 . 18 1 1 A 16 16 HIS H H 16 9.376 9.410 -0.034 1
1 52 . 18 1 1 A 16 16 HIS HA H 16 5.030 4.694 0.336 1
1 56 . 18 1 1 A 16 16 HIS C C 16 173.700 174.521 -0.821 1
1 57 . 18 1 1 A 16 16 HIS CA C 16 54.914 55.430 -0.516 1
1 58 . 18 1 1 A 16 16 HIS CB C 16 30.300 28.165 2.135 1
1 60 . 18 1 1 A 16 16 HIS N N 16 126.974 123.956 3.018 1
1 61 . 18 1 1 A 17 17 LEU H H 17 8.888 8.620 0.268 1
1 62 . 18 1 1 A 17 17 LEU HA H 17 5.100 4.828 0.272 1
1 72 . 18 1 1 A 17 17 LEU C C 17 175.750 176.304 -0.554 1
1 73 . 18 1 1 A 17 17 LEU CA C 17 53.160 54.526 -1.366 1
1 74 . 18 1 1 A 17 17 LEU CB C 17 44.890 41.377 3.513 1
1 78 . 18 1 1 A 17 17 LEU N N 17 126.426 125.219 1.207 1
1 79 . 18 1 1 A 18 18 HIS H H 18 8.610 8.940 -0.330 1
1 80 . 18 1 1 A 18 18 HIS HA H 18 5.191 5.236 -0.045 1
1 84 . 18 1 1 A 18 18 HIS C C 18 174.120 174.775 -0.655 1
1 85 . 18 1 1 A 18 18 HIS CA C 18 55.120 55.553 -0.433 1
1 86 . 18 1 1 A 18 18 HIS CB C 18 31.000 30.837 0.163 1
1 88 . 18 1 1 A 18 18 HIS N N 18 120.309 124.002 -3.693 1
1 89 . 18 1 1 A 19 19 ILE H H 19 9.050 8.660 0.390 1
1 90 . 18 1 1 A 19 19 ILE HA H 19 5.704 4.361 1.343 1
1 100 . 18 1 1 A 19 19 ILE C C 19 175.890 175.523 0.367 1
1 101 . 18 1 1 A 19 19 ILE CA C 19 60.250 62.662 -2.412 1
1 102 . 18 1 1 A 19 19 ILE CB C 19 40.500 37.469 3.031 1
1 106 . 18 1 1 A 19 19 ILE N N 19 123.672 125.624 -1.952 1
1 107 . 18 1 1 A 20 20 THR H H 20 9.224 9.014 0.210 1
1 108 . 18 1 1 A 20 20 THR HA H 20 4.970 5.054 -0.084 1
1 110 . 18 1 1 A 20 20 THR C C 20 172.920 174.070 -1.150 1
1 111 . 18 1 1 A 20 20 THR CA C 20 60.960 62.054 -1.094 1
1 112 . 18 1 1 A 20 20 THR CB C 20 71.732 69.844 1.888 1
1 114 . 18 1 1 A 20 20 THR N N 20 117.905 124.390 -6.485 1
1 115 . 18 1 1 A 21 21 HIS H H 21 9.755 9.042 0.713 1
1 116 . 18 1 1 A 21 21 HIS HA H 21 5.053 4.698 0.355 1
1 121 . 18 1 1 A 21 21 HIS C C 21 175.830 175.436 0.394 1
1 122 . 18 1 1 A 21 21 HIS CA C 21 55.561 56.117 -0.556 1
1 123 . 18 1 1 A 21 21 HIS CB C 21 36.450 31.062 5.388 1
1 126 . 18 1 1 A 21 21 HIS N N 21 122.170 125.729 -3.559 1
1 127 . 18 1 1 A 22 22 ALA H H 22 9.098 8.966 0.132 1
1 128 . 18 1 1 A 22 22 ALA HA H 22 4.116 4.042 0.074 1
1 132 . 18 1 1 A 22 22 ALA C C 22 178.340 178.801 -0.461 1
1 133 . 18 1 1 A 22 22 ALA CA C 22 54.670 53.978 0.692 1
1 134 . 18 1 1 A 22 22 ALA CB C 22 20.870 18.931 1.939 1
1 135 . 18 1 1 A 22 22 ALA N N 22 128.332 124.285 4.047 1
1 136 . 18 1 1 A 23 23 ASN H H 23 10.395 8.826 1.569 1
1 137 . 18 1 1 A 23 23 ASN HA H 23 5.066 4.488 0.578 1
1 142 . 18 1 1 A 23 23 ASN C C 23 175.090 175.676 -0.586 1
1 143 . 18 1 1 A 23 23 ASN CA C 23 53.649 56.203 -2.554 1
1 144 . 18 1 1 A 23 23 ASN CB C 23 41.160 39.101 2.059 1
1 145 . 18 1 1 A 23 23 ASN N N 23 116.400 117.503 -1.103 1
1 147 . 18 1 1 A 24 24 LEU H H 24 7.752 7.786 -0.034 1
1 148 . 18 1 1 A 24 24 LEU HA H 24 4.637 4.463 0.174 1
1 157 . 18 1 1 A 24 24 LEU C C 24 176.810 177.943 -1.133 1
1 158 . 18 1 1 A 24 24 LEU CA C 24 53.380 54.770 -1.390 1
1 159 . 18 1 1 A 24 24 LEU CB C 24 41.630 40.645 0.985 1
1 162 . 18 1 1 A 24 24 LEU N N 24 122.870 118.623 4.247 1
1 163 . 18 1 1 A 25 25 LYS H H 25 8.491 8.565 -0.074 1
1 164 . 18 1 1 A 25 25 LYS HA H 25 4.196 4.121 0.075 1
1 171 . 18 1 1 A 25 25 LYS C C 25 177.530 176.062 1.468 1
1 172 . 18 1 1 A 25 25 LYS CA C 25 59.270 58.768 0.502 1
1 173 . 18 1 1 A 25 25 LYS CB C 25 32.300 32.221 0.079 1
1 177 . 18 1 1 A 25 25 LYS N N 25 124.310 124.003 0.307 1
1 178 . 18 1 1 A 26 26 SER H H 26 8.512 7.884 0.628 1
1 179 . 18 1 1 A 26 26 SER HA H 26 4.513 4.776 -0.263 1
1 182 . 18 1 1 A 26 26 SER C C 26 174.090 173.264 0.826 1
1 183 . 18 1 1 A 26 26 SER CA C 26 58.200 56.777 1.423 1
1 184 . 18 1 1 A 26 26 SER CB C 26 63.487 63.345 0.142 1
1 185 . 18 1 1 A 26 26 SER N N 26 111.482 116.251 -4.769 1
1 186 . 18 1 1 A 27 27 PHE H H 27 7.723 8.841 -1.118 1
1 187 . 18 1 1 A 27 27 PHE HA H 27 4.463 5.084 -0.621 1
1 194 . 18 1 1 A 27 27 PHE C C 27 175.270 173.940 1.330 1
1 195 . 18 1 1 A 27 27 PHE CA C 27 59.290 56.382 2.908 1
1 196 . 18 1 1 A 27 27 PHE CB C 27 40.440 40.413 0.027 1
1 201 . 18 1 1 A 27 27 PHE N N 27 123.451 130.400 -6.949 1
1 202 . 18 1 1 A 28 28 SER H H 28 7.702 8.644 -0.942 1
1 203 . 18 1 1 A 28 28 SER HA H 28 4.630 4.958 -0.328 1
1 206 . 18 1 1 A 28 28 SER C C 28 172.060 173.109 -1.049 1
1 207 . 18 1 1 A 28 28 SER CA C 28 57.700 58.152 -0.452 1
1 208 . 18 1 1 A 28 28 SER CB C 28 64.600 63.262 1.338 1
1 209 . 18 1 1 A 28 28 SER N N 28 123.039 123.220 -0.181 1
1 210 . 18 1 1 A 29 29 ALA H H 29 8.154 8.687 -0.533 1
1 211 . 18 1 1 A 29 29 ALA HA H 29 4.655 4.861 -0.206 1
1 215 . 18 1 1 A 29 29 ALA C C 29 174.090 174.870 -0.780 1
1 216 . 18 1 1 A 29 29 ALA CA C 29 51.300 50.660 0.640 1
1 217 . 18 1 1 A 29 29 ALA CB C 29 22.900 20.586 2.314 1
1 218 . 18 1 1 A 29 29 ALA N N 29 124.700 128.279 -3.579 1
1 219 . 18 1 1 A 30 30 ASP H H 30 8.395 8.944 -0.549 1
1 220 . 18 1 1 A 30 30 ASP HA H 30 5.532 4.408 1.124 1
1 223 . 18 1 1 A 30 30 ASP C C 30 174.320 174.696 -0.376 1
1 224 . 18 1 1 A 30 30 ASP CA C 30 53.870 53.331 0.539 1
1 225 . 18 1 1 A 30 30 ASP CB C 30 44.420 41.354 3.066 1
1 226 . 18 1 1 A 30 30 ASP N N 30 117.900 125.187 -7.287 1
1 227 . 18 1 1 A 31 31 ALA H H 31 8.866 9.017 -0.151 1
1 228 . 18 1 1 A 31 31 ALA HA H 31 4.554 4.549 0.005 1
1 232 . 18 1 1 A 31 31 ALA C C 31 174.240 176.057 -1.817 1
1 233 . 18 1 1 A 31 31 ALA CA C 31 51.710 50.310 1.400 1
1 234 . 18 1 1 A 31 31 ALA CB C 31 22.710 19.422 3.288 1
1 235 . 18 1 1 A 31 31 ALA N N 31 121.463 129.728 -8.265 1
1 236 . 18 1 1 A 32 32 ARG H H 32 8.056 8.084 -0.028 1
1 237 . 18 1 1 A 32 32 ARG HA H 32 5.232 5.146 0.086 1
1 244 . 18 1 1 A 32 32 ARG C C 32 175.610 175.698 -0.088 1
1 245 . 18 1 1 A 32 32 ARG CA C 32 54.780 55.613 -0.833 1
1 246 . 18 1 1 A 32 32 ARG CB C 32 31.840 30.410 1.430 1
1 249 . 18 1 1 A 32 32 ARG N N 32 119.065 119.884 -0.819 1
1 250 . 18 1 1 A 33 33 PHE H H 33 8.787 9.016 -0.229 1
1 251 . 18 1 1 A 33 33 PHE HA H 33 4.900 4.818 0.082 1
1 258 . 18 1 1 A 33 33 PHE C C 33 175.050 175.904 -0.854 1
1 259 . 18 1 1 A 33 33 PHE CA C 33 55.790 57.647 -1.857 1
1 260 . 18 1 1 A 33 33 PHE CB C 33 43.300 41.269 2.031 1
1 265 . 18 1 1 A 33 33 PHE N N 33 119.356 124.311 -4.955 1
1 266 . 18 1 1 A 34 34 SER H H 34 8.361 8.860 -0.499 1
1 267 . 18 1 1 A 34 34 SER HA H 34 4.910 4.597 0.313 1
1 268 . 18 1 1 A 34 34 SER CA C 34 55.270 57.438 -2.168 1
1 269 . 18 1 1 A 34 34 SER CB C 34 64.310 62.980 1.330 1
1 270 . 18 1 1 A 34 34 SER N N 34 118.000 119.108 -1.108 1
1 271 . 18 1 1 A 35 35 PRO HA H 35 4.183 4.677 -0.494 1
1 278 . 18 1 1 A 35 35 PRO C C 35 176.460 176.037 0.423 1
1 279 . 18 1 1 A 35 35 PRO CA C 35 64.120 62.565 1.555 1
1 280 . 18 1 1 A 35 35 PRO CB C 35 32.140 29.257 2.883 1
1 283 . 18 1 1 A 36 36 GLN H H 36 8.013 8.570 -0.557 1
1 284 . 18 1 1 A 36 36 GLN HA H 36 4.278 4.547 -0.269 1
1 291 . 18 1 1 A 36 36 GLN C C 36 176.630 174.931 1.699 1
1 292 . 18 1 1 A 36 36 GLN CA C 36 56.600 54.989 1.611 1
1 293 . 18 1 1 A 36 36 GLN CB C 36 29.380 30.309 -0.929 1
1 295 . 18 1 1 A 36 36 GLN N N 36 114.700 121.218 -6.518 1
1 297 . 18 1 1 A 37 37 MET H H 37 7.628 7.645 -0.017 1
1 298 . 18 1 1 A 37 37 MET HA H 37 4.314 4.854 -0.540 1
1 303 . 18 1 1 A 37 37 MET C C 37 174.480 175.521 -1.041 1
1 304 . 18 1 1 A 37 37 MET CA C 37 56.260 54.114 2.146 1
1 305 . 18 1 1 A 37 37 MET CB C 37 34.890 35.243 -0.353 1
1 307 . 18 1 1 A 37 37 MET N N 37 120.895 121.809 -0.914 1
1 308 . 18 1 1 A 38 38 SER H H 38 8.740 8.969 -0.229 1
1 309 . 18 1 1 A 38 38 SER HA H 38 4.650 4.731 -0.081 1
1 312 . 18 1 1 A 38 38 SER C C 38 175.320 175.214 0.106 1
1 313 . 18 1 1 A 38 38 SER CA C 38 57.555 58.710 -1.155 1
1 314 . 18 1 1 A 38 38 SER CB C 38 64.800 63.840 0.960 1
1 315 . 18 1 1 A 38 38 SER N N 38 119.800 119.805 -0.005 1
1 316 . 18 1 1 A 39 39 VAL H H 39 8.619 8.278 0.341 1
1 317 . 18 1 1 A 39 39 VAL HA H 39 3.405 3.541 -0.136 1
1 325 . 18 1 1 A 39 39 VAL C C 39 177.950 177.714 0.236 1
1 326 . 18 1 1 A 39 39 VAL CA C 39 68.010 66.233 1.777 1
1 327 . 18 1 1 A 39 39 VAL CB C 39 31.830 31.416 0.414 1
1 330 . 18 1 1 A 39 39 VAL N N 39 122.324 123.953 -1.629 1
1 331 . 18 1 1 A 40 40 GLU H H 40 8.737 8.064 0.673 1
1 332 . 18 1 1 A 40 40 GLU HA H 40 3.743 3.887 -0.144 1
1 337 . 18 1 1 A 40 40 GLU C C 40 177.450 178.469 -1.019 1
1 338 . 18 1 1 A 40 40 GLU CA C 40 60.570 59.517 1.053 1
1 339 . 18 1 1 A 40 40 GLU CB C 40 30.000 29.483 0.517 1
1 341 . 18 1 1 A 40 40 GLU N N 40 120.358 120.543 -0.185 1
1 342 . 18 1 1 A 41 41 ALA H H 41 8.056 7.761 0.295 1
1 343 . 18 1 1 A 41 41 ALA HA H 41 4.275 4.071 0.204 1
1 347 . 18 1 1 A 41 41 ALA C C 41 181.560 179.796 1.764 1
1 348 . 18 1 1 A 41 41 ALA CA C 41 55.080 55.108 -0.028 1
1 349 . 18 1 1 A 41 41 ALA CB C 41 18.570 18.241 0.329 1
1 350 . 18 1 1 A 41 41 ALA N N 41 123.045 121.918 1.127 1
1 351 . 18 1 1 A 42 42 VAL H H 42 8.519 7.897 0.622 1
1 352 . 18 1 1 A 42 42 VAL HA H 42 3.456 3.790 -0.334 1
1 360 . 18 1 1 A 42 42 VAL C C 42 177.950 177.605 0.345 1
1 361 . 18 1 1 A 42 42 VAL CA C 42 67.440 64.629 2.811 1
1 362 . 18 1 1 A 42 42 VAL CB C 42 31.370 31.314 0.056 1
1 365 . 18 1 1 A 42 42 VAL N N 42 122.576 116.738 5.838 1
1 366 . 18 1 1 A 43 43 LYS H H 43 8.660 7.637 1.023 1
1 367 . 18 1 1 A 43 43 LYS HA H 43 3.905 3.986 -0.081 1
1 374 . 18 1 1 A 43 43 LYS C C 43 178.490 179.178 -0.688 1
1 375 . 18 1 1 A 43 43 LYS CA C 43 61.080 59.907 1.173 1
1 376 . 18 1 1 A 43 43 LYS CB C 43 33.450 31.967 1.483 1
1 380 . 18 1 1 A 43 43 LYS N N 43 118.752 122.439 -3.687 1
1 381 . 18 1 1 A 44 44 GLU H H 44 8.109 8.063 0.046 1
1 382 . 18 1 1 A 44 44 GLU HA H 44 4.100 4.272 -0.172 1
1 387 . 18 1 1 A 44 44 GLU C C 44 178.760 179.326 -0.566 1
1 388 . 18 1 1 A 44 44 GLU CA C 44 60.560 59.680 0.880 1
1 389 . 18 1 1 A 44 44 GLU CB C 44 29.700 29.392 0.308 1
1 391 . 18 1 1 A 44 44 GLU N N 44 118.904 119.440 -0.536 1
1 392 . 18 1 1 A 45 45 LYS H H 45 7.868 7.914 -0.046 1
1 393 . 18 1 1 A 45 45 LYS HA H 45 4.147 4.203 -0.056 1
1 400 . 18 1 1 A 45 45 LYS C C 45 180.020 179.336 0.684 1
1 401 . 18 1 1 A 45 45 LYS CA C 45 59.210 58.993 0.217 1
1 402 . 18 1 1 A 45 45 LYS CB C 45 32.540 31.673 0.867 1
1 406 . 18 1 1 A 45 45 LYS N N 45 118.353 120.107 -1.754 1
1 407 . 18 1 1 A 46 46 LEU H H 46 8.538 7.745 0.793 1
1 408 . 18 1 1 A 46 46 LEU HA H 46 4.147 4.113 0.034 1
1 418 . 18 1 1 A 46 46 LEU C C 46 179.950 179.301 0.649 1
1 419 . 18 1 1 A 46 46 LEU CA C 46 57.900 57.696 0.204 1
1 420 . 18 1 1 A 46 46 LEU CB C 46 40.800 41.967 -1.167 1
1 424 . 18 1 1 A 46 46 LEU N N 46 118.568 119.189 -0.621 1
1 425 . 18 1 1 A 47 47 TRP H H 47 9.308 8.780 0.528 1
1 426 . 18 1 1 A 47 47 TRP HA H 47 4.636 4.318 0.318 1
1 435 . 18 1 1 A 47 47 TRP C C 47 179.040 177.906 1.134 1
1 436 . 18 1 1 A 47 47 TRP CA C 47 60.312 60.766 -0.454 1
1 437 . 18 1 1 A 47 47 TRP CB C 47 28.080 29.813 -1.733 1
1 443 . 18 1 1 A 47 47 TRP N N 47 127.808 120.864 6.944 1
1 445 . 18 1 1 A 48 48 LYS H H 48 7.362 8.235 -0.873 1
1 446 . 18 1 1 A 48 48 LYS HA H 48 3.238 3.831 -0.593 1
1 453 . 18 1 1 A 48 48 LYS C C 48 177.660 178.131 -0.471 1
1 454 . 18 1 1 A 48 48 LYS CA C 48 58.360 57.694 0.666 1
1 455 . 18 1 1 A 48 48 LYS CB C 48 32.090 31.634 0.456 1
1 459 . 18 1 1 A 48 48 LYS N N 48 118.583 118.102 0.481 1
1 460 . 18 1 1 A 49 49 LYS H H 49 7.339 7.764 -0.425 1
1 461 . 18 1 1 A 49 49 LYS HA H 49 4.388 4.027 0.361 1
1 468 . 18 1 1 A 49 49 LYS C C 49 177.120 177.977 -0.857 1
1 469 . 18 1 1 A 49 49 LYS CA C 49 57.469 59.358 -1.889 1
1 470 . 18 1 1 A 49 49 LYS CB C 49 33.990 32.668 1.322 1
1 474 . 18 1 1 A 49 49 LYS N N 49 114.530 120.320 -5.790 1
1 475 . 18 1 1 A 50 50 CYS H H 50 8.092 7.901 0.191 1
1 476 . 18 1 1 A 50 50 CYS HA H 50 4.880 4.559 0.321 1
1 479 . 18 1 1 A 50 50 CYS C C 50 174.560 175.710 -1.150 1
1 480 . 18 1 1 A 50 50 CYS CA C 50 57.213 58.662 -1.449 1
1 481 . 18 1 1 A 50 50 CYS CB C 50 31.470 29.199 2.271 1
1 482 . 18 1 1 A 50 50 CYS N N 50 110.536 114.862 -4.326 1
1 483 . 18 1 1 A 51 51 GLY H H 51 8.644 8.593 0.051 1
1 484 . 18 1 1 A 51 51 GLY HA2 H 51 4.248 3.635 0.613 1
1 485 . 18 1 1 A 51 51 GLY HA3 H 51 3.650 3.832 -0.182 1
1 486 . 18 1 1 A 51 51 GLY C C 51 173.800 173.858 -0.058 1
1 487 . 18 1 1 A 51 51 GLY CA C 51 46.390 46.035 0.355 1
1 488 . 18 1 1 A 51 51 GLY N N 51 113.666 112.225 1.441 1
1 489 . 18 1 1 A 52 52 THR H H 52 7.781 7.267 0.514 1
1 490 . 18 1 1 A 52 52 THR HA H 52 4.277 4.813 -0.536 1
1 495 . 18 1 1 A 52 52 THR C C 52 172.080 173.521 -1.441 1
1 496 . 18 1 1 A 52 52 THR CA C 52 63.630 61.206 2.424 1
1 497 . 18 1 1 A 52 52 THR CB C 52 69.720 71.779 -2.059 1
1 499 . 18 1 1 A 52 52 THR N N 52 121.643 114.990 6.653 1
1 500 . 18 1 1 A 53 53 SER H H 53 8.606 8.867 -0.261 1
1 501 . 18 1 1 A 53 53 SER HA H 53 3.775 4.616 -0.841 1
1 504 . 18 1 1 A 53 53 SER C C 53 175.890 174.280 1.610 1
1 505 . 18 1 1 A 53 53 SER CA C 53 58.590 59.454 -0.864 1
1 506 . 18 1 1 A 53 53 SER CB C 53 63.620 63.987 -0.367 1
1 507 . 18 1 1 A 53 53 SER N N 53 120.903 122.395 -1.492 1
1 508 . 18 1 1 A 54 54 VAL H H 54 7.895 8.750 -0.855 1
1 509 . 18 1 1 A 54 54 VAL HA H 54 3.563 4.027 -0.464 1
1 517 . 18 1 1 A 54 54 VAL C C 54 178.260 175.862 2.398 1
1 518 . 18 1 1 A 54 54 VAL CA C 54 66.600 62.877 3.723 1
1 519 . 18 1 1 A 54 54 VAL CB C 54 31.630 30.503 1.127 1
1 522 . 18 1 1 A 54 54 VAL N N 54 121.121 125.392 -4.271 1
1 523 . 18 1 1 A 55 55 ASN H H 55 8.148 8.798 -0.650 1
1 524 . 18 1 1 A 55 55 ASN HA H 55 4.496 5.001 -0.505 1
1 529 . 18 1 1 A 55 55 ASN C C 55 175.640 177.042 -1.402 1
1 530 . 18 1 1 A 55 55 ASN CA C 55 54.875 54.630 0.245 1
1 531 . 18 1 1 A 55 55 ASN CB C 55 38.120 41.090 -2.970 1
1 532 . 18 1 1 A 55 55 ASN N N 55 115.018 127.130 -12.112 1
1 534 . 18 1 1 A 56 56 SER H H 56 7.559 8.482 -0.923 1
1 535 . 18 1 1 A 56 56 SER HA H 56 4.585 4.223 0.362 1
1 538 . 18 1 1 A 56 56 SER C C 56 171.180 175.641 -4.461 1
1 539 . 18 1 1 A 56 56 SER CA C 56 57.260 62.386 -5.126 1
1 540 . 18 1 1 A 56 56 SER CB C 56 64.260 62.853 1.407 1
1 541 . 18 1 1 A 56 56 SER N N 56 114.545 116.173 -1.628 1
1 542 . 18 1 1 A 57 57 MET H H 57 7.177 7.825 -0.648 1
1 543 . 18 1 1 A 57 57 MET HA H 57 4.785 4.352 0.433 1
1 548 . 18 1 1 A 57 57 MET C C 57 175.400 175.343 0.057 1
1 549 . 18 1 1 A 57 57 MET CA C 57 55.631 54.994 0.637 1
1 550 . 18 1 1 A 57 57 MET CB C 57 36.740 32.560 4.180 1
1 552 . 18 1 1 A 57 57 MET N N 57 120.883 119.064 1.819 1
1 553 . 18 1 1 A 58 58 ALA H H 58 9.226 8.499 0.727 1
1 554 . 18 1 1 A 58 58 ALA HA H 58 4.723 4.590 0.133 1
1 558 . 18 1 1 A 58 58 ALA C C 58 175.360 176.570 -1.210 1
1 559 . 18 1 1 A 58 58 ALA CA C 58 50.327 51.826 -1.499 1
1 560 . 18 1 1 A 58 58 ALA CB C 58 21.580 19.174 2.406 1
1 561 . 18 1 1 A 58 58 ALA N N 58 129.559 129.610 -0.051 1
1 562 . 18 1 1 A 59 59 LEU H H 59 8.307 9.099 -0.792 1
1 563 . 18 1 1 A 59 59 LEU HA H 59 5.393 4.703 0.690 1
1 573 . 18 1 1 A 59 59 LEU C C 59 175.470 175.907 -0.437 1
1 574 . 18 1 1 A 59 59 LEU CA C 59 52.970 54.135 -1.165 1
1 575 . 18 1 1 A 59 59 LEU CB C 59 47.410 41.348 6.062 1
1 579 . 18 1 1 A 59 59 LEU N N 59 118.793 125.053 -6.260 1
1 580 . 18 1 1 A 60 60 GLU H H 60 8.978 8.726 0.252 1
1 581 . 18 1 1 A 60 60 GLU HA H 60 4.789 4.691 0.098 1
1 586 . 18 1 1 A 60 60 GLU C C 60 173.670 175.288 -1.618 1
1 587 . 18 1 1 A 60 60 GLU CA C 60 54.246 56.180 -1.934 1
1 588 . 18 1 1 A 60 60 GLU CB C 60 35.470 30.580 4.890 1
1 590 . 18 1 1 A 60 60 GLU N N 60 121.100 124.547 -3.447 1
1 591 . 18 1 1 A 61 61 LEU H H 61 8.651 8.904 -0.253 1
1 592 . 18 1 1 A 61 61 LEU HA H 61 5.541 4.987 0.554 1
1 602 . 18 1 1 A 61 61 LEU C C 61 174.270 174.565 -0.295 1
1 603 . 18 1 1 A 61 61 LEU CA C 61 53.120 53.446 -0.326 1
1 604 . 18 1 1 A 61 61 LEU CB C 61 46.890 43.480 3.410 1
1 608 . 18 1 1 A 61 61 LEU N N 61 122.689 126.963 -4.274 1
1 609 . 18 1 1 A 62 62 TYR H H 62 10.028 9.417 0.611 1
1 610 . 18 1 1 A 62 62 TYR HA H 62 5.096 5.301 -0.205 1
1 617 . 18 1 1 A 62 62 TYR C C 62 175.180 174.774 0.406 1
1 618 . 18 1 1 A 62 62 TYR CA C 62 56.520 57.240 -0.720 1
1 619 . 18 1 1 A 62 62 TYR CB C 62 42.520 40.353 2.167 1
1 624 . 18 1 1 A 62 62 TYR N N 62 126.875 127.618 -0.743 1
1 625 . 18 1 1 A 63 63 ASP H H 63 8.573 9.372 -0.799 1
1 626 . 18 1 1 A 63 63 ASP HA H 63 2.824 4.835 -2.011 1
1 629 . 18 1 1 A 63 63 ASP C C 63 176.470 176.047 0.423 1
1 630 . 18 1 1 A 63 63 ASP CA C 63 51.490 53.252 -1.762 1
1 631 . 18 1 1 A 63 63 ASP CB C 63 41.490 41.484 0.006 1
1 632 . 18 1 1 A 63 63 ASP N N 63 118.563 124.884 -6.321 1
1 633 . 18 1 1 A 64 64 ASP H H 64 8.319 9.011 -0.692 1
1 634 . 18 1 1 A 64 64 ASP HA H 64 4.396 4.472 -0.076 1
1 637 . 18 1 1 A 64 64 ASP C C 64 176.670 175.028 1.642 1
1 638 . 18 1 1 A 64 64 ASP CA C 64 55.270 55.867 -0.597 1
1 639 . 18 1 1 A 64 64 ASP CB C 64 39.540 40.781 -1.241 1
1 640 . 18 1 1 A 64 64 ASP N N 64 114.728 127.302 -12.574 1
1 641 . 18 1 1 A 65 65 SER H H 65 8.305 8.388 -0.083 1
1 642 . 18 1 1 A 65 65 SER HA H 65 4.640 4.750 -0.110 1
1 645 . 18 1 1 A 65 65 SER C C 65 174.700 174.959 -0.259 1
1 646 . 18 1 1 A 65 65 SER CA C 65 58.550 59.155 -0.605 1
1 647 . 18 1 1 A 65 65 SER CB C 65 64.393 65.807 -1.414 1
1 648 . 18 1 1 A 65 65 SER N N 65 115.837 111.584 4.253 1
1 649 . 18 1 1 A 66 66 GLY H H 66 7.876 8.162 -0.286 1
1 650 . 18 1 1 A 66 66 GLY HA2 H 66 4.284 3.832 0.452 1
1 651 . 18 1 1 A 66 66 GLY HA3 H 66 3.679 3.883 -0.204 1
1 652 . 18 1 1 A 66 66 GLY C C 66 174.550 174.059 0.491 1
1 653 . 18 1 1 A 66 66 GLY CA C 66 45.570 45.684 -0.114 1
1 654 . 18 1 1 A 66 66 GLY N N 66 109.151 109.749 -0.598 1
1 655 . 18 1 1 A 67 67 SER H H 67 8.416 7.309 1.107 1
1 656 . 18 1 1 A 67 67 SER HA H 67 4.583 4.706 -0.123 1
1 659 . 18 1 1 A 67 67 SER C C 67 173.680 172.637 1.043 1
1 660 . 18 1 1 A 67 67 SER CA C 67 58.070 57.836 0.234 1
1 661 . 18 1 1 A 67 67 SER CB C 67 63.300 63.196 0.104 1
1 662 . 18 1 1 A 67 67 SER N N 67 119.156 116.111 3.045 1
1 663 . 18 1 1 A 68 68 LYS H H 68 8.880 8.656 0.224 1
1 664 . 18 1 1 A 68 68 LYS HA H 68 3.233 4.433 -1.200 1
1 671 . 18 1 1 A 68 68 LYS C C 68 176.440 175.303 1.137 1
1 672 . 18 1 1 A 68 68 LYS CA C 68 57.920 55.660 2.260 1
1 673 . 18 1 1 A 68 68 LYS CB C 68 31.822 31.918 -0.096 1
1 677 . 18 1 1 A 68 68 LYS N N 68 128.005 127.666 0.339 1
1 678 . 18 1 1 A 69 69 VAL H H 69 9.215 8.354 0.861 1
1 679 . 18 1 1 A 69 69 VAL HA H 69 4.185 4.537 -0.352 1
1 687 . 18 1 1 A 69 69 VAL C C 69 176.170 174.702 1.468 1
1 688 . 18 1 1 A 69 69 VAL CA C 69 62.860 61.668 1.192 1
1 689 . 18 1 1 A 69 69 VAL CB C 69 33.660 32.496 1.164 1
1 692 . 18 1 1 A 69 69 VAL N N 69 126.574 122.631 3.943 1
1 693 . 18 1 1 A 70 70 ALA H H 70 7.647 8.894 -1.247 1
1 694 . 18 1 1 A 70 70 ALA HA H 70 4.614 4.764 -0.150 1
1 698 . 18 1 1 A 70 70 ALA C C 70 175.170 176.253 -1.083 1
1 699 . 18 1 1 A 70 70 ALA CA C 70 52.400 50.781 1.619 1
1 700 . 18 1 1 A 70 70 ALA CB C 70 23.350 19.800 3.550 1
1 701 . 18 1 1 A 70 70 ALA N N 70 118.268 130.815 -12.547 1
1 702 . 18 1 1 A 71 71 VAL H H 71 8.428 8.668 -0.240 1
1 703 . 18 1 1 A 71 71 VAL HA H 71 4.216 4.821 -0.605 1
1 711 . 18 1 1 A 71 71 VAL C C 71 175.810 174.619 1.191 1
1 712 . 18 1 1 A 71 71 VAL CA C 71 62.380 60.112 2.268 1
1 713 . 18 1 1 A 71 71 VAL CB C 71 33.120 34.850 -1.730 1
1 716 . 18 1 1 A 71 71 VAL N N 71 119.624 122.491 -2.867 1
1 717 . 18 1 1 A 72 72 LEU H H 72 8.333 8.668 -0.335 1
1 718 . 18 1 1 A 72 72 LEU HA H 72 3.882 4.577 -0.695 1
1 728 . 18 1 1 A 72 72 LEU C C 72 176.580 177.780 -1.200 1
1 729 . 18 1 1 A 72 72 LEU CA C 72 54.600 53.675 0.925 1
1 730 . 18 1 1 A 72 72 LEU CB C 72 37.880 43.182 -5.302 1
1 734 . 18 1 1 A 72 72 LEU N N 72 130.241 131.565 -1.324 1
1 735 . 18 1 1 A 73 73 SER H H 73 7.865 7.952 -0.087 1
1 736 . 18 1 1 A 73 73 SER HA H 73 4.304 4.313 -0.009 1
1 739 . 18 1 1 A 73 73 SER C C 73 173.470 174.434 -0.964 1
1 740 . 18 1 1 A 73 73 SER CA C 73 59.400 61.036 -1.636 1
1 741 . 18 1 1 A 73 73 SER CB C 73 64.230 63.231 0.999 1
1 742 . 18 1 1 A 73 73 SER N N 73 116.577 115.233 1.344 1
1 743 . 18 1 1 A 74 74 ASP H H 74 7.553 7.659 -0.106 1
1 744 . 18 1 1 A 74 74 ASP HA H 74 4.858 4.954 -0.096 1
1 747 . 18 1 1 A 74 74 ASP C C 74 175.910 176.092 -0.182 1
1 748 . 18 1 1 A 74 74 ASP CA C 74 53.057 53.745 -0.688 1
1 749 . 18 1 1 A 74 74 ASP CB C 74 41.720 41.426 0.294 1
1 750 . 18 1 1 A 74 74 ASP N N 74 120.482 118.068 2.414 1
1 751 . 18 1 1 A 75 75 ASP H H 75 8.601 7.639 0.962 1
1 752 . 18 1 1 A 75 75 ASP HA H 75 4.375 4.280 0.095 1
1 755 . 18 1 1 A 75 75 ASP C C 75 176.590 177.762 -1.172 1
1 756 . 18 1 1 A 75 75 ASP CA C 75 56.760 57.535 -0.775 1
1 757 . 18 1 1 A 75 75 ASP CB C 75 41.310 41.315 -0.005 1
1 758 . 18 1 1 A 75 75 ASP N N 75 125.434 121.351 4.083 1
1 759 . 18 1 1 A 76 76 SER H H 76 8.558 7.802 0.756 1
1 760 . 18 1 1 A 76 76 SER HA H 76 4.463 4.637 -0.174 1
1 763 . 18 1 1 A 76 76 SER C C 76 175.630 173.311 2.319 1
1 764 . 18 1 1 A 76 76 SER CA C 76 59.320 58.239 1.081 1
1 765 . 18 1 1 A 76 76 SER CB C 76 64.255 63.446 0.809 1
1 766 . 18 1 1 A 76 76 SER N N 76 112.502 111.657 0.845 1
1 767 . 18 1 1 A 77 77 ARG H H 77 7.381 7.244 0.137 1
1 768 . 18 1 1 A 77 77 ARG HA H 77 4.318 4.768 -0.450 1
1 775 . 18 1 1 A 77 77 ARG CA C 77 53.260 52.725 0.535 1
1 776 . 18 1 1 A 77 77 ARG CB C 77 30.880 31.587 -0.707 1
1 779 . 18 1 1 A 77 77 ARG N N 77 123.368 119.403 3.965 1
1 780 . 18 1 1 A 78 78 PRO HA H 78 4.697 4.656 0.041 1
1 787 . 18 1 1 A 78 78 PRO C C 78 178.090 178.118 -0.028 1
1 788 . 18 1 1 A 78 78 PRO CA C 78 61.970 63.027 -1.057 1
1 789 . 18 1 1 A 78 78 PRO CB C 78 31.380 31.918 -0.538 1
1 792 . 18 1 1 A 79 79 LEU H H 79 9.260 8.750 0.510 1
1 793 . 18 1 1 A 79 79 LEU HA H 79 4.099 4.223 -0.124 1
1 803 . 18 1 1 A 79 79 LEU C C 79 178.680 178.995 -0.315 1
1 804 . 18 1 1 A 79 79 LEU CA C 79 58.290 57.757 0.533 1
1 805 . 18 1 1 A 79 79 LEU CB C 79 42.160 42.005 0.155 1
1 809 . 18 1 1 A 79 79 LEU N N 79 124.739 126.416 -1.677 1
1 810 . 18 1 1 A 80 80 GLY H H 80 9.611 8.102 1.509 1
1 811 . 18 1 1 A 80 80 GLY HA2 H 80 4.003 3.782 0.221 1
1 812 . 18 1 1 A 80 80 GLY HA3 H 80 3.683 3.791 -0.108 1
1 813 . 18 1 1 A 80 80 GLY C C 80 175.850 175.754 0.096 1
1 814 . 18 1 1 A 80 80 GLY CA C 80 46.830 47.262 -0.432 1
1 815 . 18 1 1 A 80 80 GLY N N 80 102.276 107.150 -4.874 1
1 816 . 18 1 1 A 81 81 PHE H H 81 8.177 8.278 -0.101 1
1 817 . 18 1 1 A 81 81 PHE HA H 81 4.090 4.129 -0.039 1
1 822 . 18 1 1 A 81 81 PHE C C 81 175.810 177.531 -1.721 1
1 823 . 18 1 1 A 81 81 PHE CA C 81 60.560 60.785 -0.225 1
1 824 . 18 1 1 A 81 81 PHE CB C 81 39.640 38.950 0.690 1
1 827 . 18 1 1 A 81 81 PHE N N 81 123.413 122.971 0.442 1
1 828 . 18 1 1 A 82 82 PHE H H 82 7.733 7.860 -0.127 1
1 829 . 18 1 1 A 82 82 PHE HA H 82 4.171 3.972 0.199 1
1 834 . 18 1 1 A 82 82 PHE C C 82 172.960 175.448 -2.488 1
1 835 . 18 1 1 A 82 82 PHE CA C 82 57.730 61.360 -3.630 1
1 836 . 18 1 1 A 82 82 PHE CB C 82 38.670 39.352 -0.682 1
1 839 . 18 1 1 A 82 82 PHE N N 82 114.781 120.512 -5.731 1
1 840 . 18 1 1 A 83 83 SER H H 83 7.541 7.961 -0.420 1
1 841 . 18 1 1 A 83 83 SER HA H 83 3.898 4.021 -0.123 1
1 844 . 18 1 1 A 83 83 SER CA C 83 57.980 58.938 -0.958 1
1 845 . 18 1 1 A 83 83 SER CB C 83 61.882 61.414 0.468 1
1 846 . 18 1 1 A 83 83 SER N N 83 108.622 113.876 -5.254 1
1 847 . 18 1 1 A 85 85 PHE HA H 85 4.447 4.821 -0.374 1
1 854 . 18 1 1 A 85 85 PHE C C 85 173.640 176.504 -2.864 1
1 855 . 18 1 1 A 85 85 PHE CA C 85 55.600 57.002 -1.402 1
1 856 . 18 1 1 A 85 85 PHE CB C 85 42.180 40.540 1.640 1
1 861 . 18 1 1 A 86 86 ASP H H 86 8.469 9.030 -0.561 1
1 862 . 18 1 1 A 86 86 ASP HA H 86 4.934 4.410 0.524 1
1 865 . 18 1 1 A 86 86 ASP C C 86 177.910 176.052 1.858 1
1 866 . 18 1 1 A 86 86 ASP CA C 86 55.927 56.740 -0.813 1
1 867 . 18 1 1 A 86 86 ASP CB C 86 41.109 41.318 -0.209 1
1 868 . 18 1 1 A 86 86 ASP N N 86 119.276 121.368 -2.092 1
1 869 . 18 1 1 A 87 87 GLY H H 87 9.163 7.388 1.775 1
1 870 . 18 1 1 A 87 87 GLY HA2 H 87 4.570 4.078 0.492 1
1 871 . 18 1 1 A 87 87 GLY HA3 H 87 3.701 4.134 -0.433 1
1 872 . 18 1 1 A 87 87 GLY C C 87 175.180 171.286 3.894 1
1 873 . 18 1 1 A 87 87 GLY CA C 87 45.540 45.728 -0.188 1
1 874 . 18 1 1 A 87 87 GLY N N 87 109.579 105.227 4.352 1
1 875 . 18 1 1 A 88 88 PHE H H 88 8.270 8.433 -0.163 1
1 876 . 18 1 1 A 88 88 PHE HA H 88 4.653 5.397 -0.744 1
1 883 . 18 1 1 A 88 88 PHE C C 88 172.620 174.991 -2.371 1
1 884 . 18 1 1 A 88 88 PHE CA C 88 57.570 56.672 0.898 1
1 885 . 18 1 1 A 88 88 PHE CB C 88 38.750 43.903 -5.153 1
1 890 . 18 1 1 A 88 88 PHE N N 88 121.300 119.066 2.234 1
1 891 . 18 1 1 A 89 89 ARG H H 89 9.056 8.826 0.230 1
1 892 . 18 1 1 A 89 89 ARG HA H 89 5.652 4.833 0.819 1
1 899 . 18 1 1 A 89 89 ARG C C 89 174.990 175.236 -0.246 1
1 900 . 18 1 1 A 89 89 ARG CA C 89 54.067 55.666 -1.599 1
1 901 . 18 1 1 A 89 89 ARG CB C 89 35.630 30.773 4.857 1
1 904 . 18 1 1 A 89 89 ARG N N 89 120.200 121.968 -1.768 1
1 905 . 18 1 1 A 90 90 LEU H H 90 9.487 8.823 0.664 1
1 906 . 18 1 1 A 90 90 LEU HA H 90 5.244 4.849 0.395 1
1 916 . 18 1 1 A 90 90 LEU C C 90 173.050 175.061 -2.011 1
1 917 . 18 1 1 A 90 90 LEU CA C 90 53.250 54.005 -0.755 1
1 918 . 18 1 1 A 90 90 LEU CB C 90 44.870 41.521 3.349 1
1 922 . 18 1 1 A 90 90 LEU N N 90 128.373 126.839 1.534 1
1 923 . 18 1 1 A 91 91 HIS H H 91 9.474 8.912 0.562 1
1 924 . 18 1 1 A 91 91 HIS HA H 91 5.357 4.692 0.665 1
1 929 . 18 1 1 A 91 91 HIS C C 91 173.870 172.952 0.918 1
1 930 . 18 1 1 A 91 91 HIS CA C 91 54.320 54.048 0.272 1
1 931 . 18 1 1 A 91 91 HIS CB C 91 36.070 29.755 6.315 1
1 934 . 18 1 1 A 91 91 HIS N N 91 125.565 125.037 0.528 1
1 935 . 18 1 1 A 92 92 ILE H H 92 8.341 8.691 -0.350 1
1 936 . 18 1 1 A 92 92 ILE HA H 92 4.045 4.188 -0.143 1
1 946 . 18 1 1 A 92 92 ILE C C 92 173.350 175.208 -1.858 1
1 947 . 18 1 1 A 92 92 ILE CA C 92 61.380 60.703 0.677 1
1 948 . 18 1 1 A 92 92 ILE CB C 92 40.040 37.558 2.482 1
1 952 . 18 1 1 A 92 92 ILE N N 92 126.939 128.740 -1.801 1
1 953 . 18 1 1 A 93 93 ILE H H 93 8.754 8.918 -0.164 1
1 954 . 18 1 1 A 93 93 ILE HA H 93 3.744 4.077 -0.333 1
1 964 . 18 1 1 A 93 93 ILE C C 93 174.450 175.195 -0.745 1
1 965 . 18 1 1 A 93 93 ILE CA C 93 60.480 60.901 -0.421 1
1 966 . 18 1 1 A 93 93 ILE CB C 93 41.250 37.248 4.002 1
1 970 . 18 1 1 A 93 93 ILE N N 93 126.486 128.642 -2.156 1
1 971 . 18 1 1 A 94 94 ASP H H 94 7.976 8.626 -0.650 1
1 972 . 18 1 1 A 94 94 ASP HA H 94 4.881 4.699 0.182 1
1 975 . 18 1 1 A 94 94 ASP C C 94 176.710 176.147 0.563 1
1 976 . 18 1 1 A 94 94 ASP CA C 94 52.170 54.755 -2.585 1
1 977 . 18 1 1 A 94 94 ASP CB C 94 42.000 41.031 0.969 1
1 978 . 18 1 1 A 94 94 ASP N N 94 124.752 129.038 -4.286 1
1 979 . 18 1 1 A 95 95 LEU H H 95 9.218 9.171 0.047 1
1 980 . 18 1 1 A 95 95 LEU HA H 95 4.111 4.562 -0.451 1
1 990 . 18 1 1 A 95 95 LEU C C 95 177.230 175.983 1.247 1
1 991 . 18 1 1 A 95 95 LEU CA C 95 55.553 55.352 0.201 1
1 992 . 18 1 1 A 95 95 LEU CB C 95 42.380 42.145 0.235 1
1 996 . 18 1 1 A 95 95 LEU N N 95 126.286 127.320 -1.034 1
1 997 . 18 1 1 A 96 96 ASP H H 96 8.762 7.858 0.904 1
1 998 . 18 1 1 A 96 96 ASP HA H 96 4.946 4.925 0.021 1
1 1001 . 18 1 1 A 96 96 ASP CA C 96 52.598 50.616 1.982 1
1 1002 . 18 1 1 A 96 96 ASP CB C 96 41.400 41.569 -0.169 1
1 1 . 19 1 1 A 10 10 HIS HA H 10 4.439 4.685 -0.246 1
1 4 . 19 1 1 A 10 10 HIS CA C 10 55.740 57.173 -1.433 1
1 5 . 19 1 1 A 10 10 HIS CB C 10 32.490 30.196 2.294 1
1 6 . 19 1 1 A 11 11 GLY H H 11 8.463 8.153 0.310 1
1 7 . 19 1 1 A 11 11 GLY HA2 H 11 3.930 3.773 0.157 1
1 8 . 19 1 1 A 11 11 GLY HA3 H 11 3.989 3.776 0.213 1
1 9 . 19 1 1 A 11 11 GLY C C 11 173.720 174.242 -0.522 1
1 10 . 19 1 1 A 11 11 GLY CA C 11 45.450 47.051 -1.601 1
1 11 . 19 1 1 A 11 11 GLY N N 11 110.200 106.872 3.328 1
1 12 . 19 1 1 A 12 12 ASP H H 12 8.174 8.177 -0.003 1
1 13 . 19 1 1 A 12 12 ASP HA H 12 4.656 4.767 -0.111 1
1 16 . 19 1 1 A 12 12 ASP C C 12 174.950 175.582 -0.632 1
1 17 . 19 1 1 A 12 12 ASP CA C 12 54.140 52.964 1.176 1
1 18 . 19 1 1 A 12 12 ASP CB C 12 41.370 38.839 2.531 1
1 19 . 19 1 1 A 12 12 ASP N N 12 120.300 119.422 0.878 1
1 20 . 19 1 1 A 13 13 ASP H H 13 8.405 8.692 -0.287 1
1 21 . 19 1 1 A 13 13 ASP HA H 13 4.630 4.105 0.525 1
1 24 . 19 1 1 A 13 13 ASP C C 13 176.040 175.004 1.036 1
1 25 . 19 1 1 A 13 13 ASP CA C 13 53.910 55.062 -1.152 1
1 26 . 19 1 1 A 13 13 ASP CB C 13 40.840 39.231 1.609 1
1 27 . 19 1 1 A 13 13 ASP N N 13 121.700 119.865 1.835 1
1 28 . 19 1 1 A 14 14 SER H H 14 8.120 7.798 0.322 1
1 29 . 19 1 1 A 14 14 SER HA H 14 4.570 4.484 0.086 1
1 32 . 19 1 1 A 14 14 SER C C 14 173.350 173.807 -0.457 1
1 33 . 19 1 1 A 14 14 SER CA C 14 59.250 58.001 1.249 1
1 34 . 19 1 1 A 14 14 SER CB C 14 64.956 62.656 2.300 1
1 35 . 19 1 1 A 14 14 SER N N 14 114.400 113.579 0.821 1
1 36 . 19 1 1 A 15 15 VAL H H 15 8.859 8.018 0.841 1
1 37 . 19 1 1 A 15 15 VAL HA H 15 4.754 3.666 1.088 1
1 45 . 19 1 1 A 15 15 VAL C C 15 174.290 175.337 -1.047 1
1 46 . 19 1 1 A 15 15 VAL CA C 15 59.546 61.434 -1.888 1
1 47 . 19 1 1 A 15 15 VAL CB C 15 34.830 32.631 2.199 1
1 50 . 19 1 1 A 15 15 VAL N N 15 118.659 122.153 -3.494 1
1 51 . 19 1 1 A 16 16 HIS H H 16 9.376 7.537 1.839 1
1 52 . 19 1 1 A 16 16 HIS HA H 16 5.030 4.718 0.312 1
1 56 . 19 1 1 A 16 16 HIS C C 16 173.700 174.080 -0.380 1
1 57 . 19 1 1 A 16 16 HIS CA C 16 54.914 54.754 0.160 1
1 58 . 19 1 1 A 16 16 HIS CB C 16 30.300 28.935 1.365 1
1 60 . 19 1 1 A 16 16 HIS N N 16 126.974 123.429 3.545 1
1 61 . 19 1 1 A 17 17 LEU H H 17 8.888 9.331 -0.443 1
1 62 . 19 1 1 A 17 17 LEU HA H 17 5.100 4.914 0.186 1
1 72 . 19 1 1 A 17 17 LEU C C 17 175.750 175.912 -0.162 1
1 73 . 19 1 1 A 17 17 LEU CA C 17 53.160 53.627 -0.467 1
1 74 . 19 1 1 A 17 17 LEU CB C 17 44.890 42.131 2.759 1
1 78 . 19 1 1 A 17 17 LEU N N 17 126.426 125.453 0.973 1
1 79 . 19 1 1 A 18 18 HIS H H 18 8.610 9.269 -0.659 1
1 80 . 19 1 1 A 18 18 HIS HA H 18 5.191 5.208 -0.017 1
1 84 . 19 1 1 A 18 18 HIS C C 18 174.120 174.414 -0.294 1
1 85 . 19 1 1 A 18 18 HIS CA C 18 55.120 55.606 -0.486 1
1 86 . 19 1 1 A 18 18 HIS CB C 18 31.000 30.614 0.386 1
1 88 . 19 1 1 A 18 18 HIS N N 18 120.309 123.664 -3.355 1
1 89 . 19 1 1 A 19 19 ILE H H 19 9.050 9.455 -0.405 1
1 90 . 19 1 1 A 19 19 ILE HA H 19 5.704 4.759 0.945 1
1 100 . 19 1 1 A 19 19 ILE C C 19 175.890 175.296 0.594 1
1 101 . 19 1 1 A 19 19 ILE CA C 19 60.250 60.682 -0.432 1
1 102 . 19 1 1 A 19 19 ILE CB C 19 40.500 39.029 1.471 1
1 106 . 19 1 1 A 19 19 ILE N N 19 123.672 124.509 -0.837 1
1 107 . 19 1 1 A 20 20 THR H H 20 9.224 9.162 0.062 1
1 108 . 19 1 1 A 20 20 THR HA H 20 4.970 5.567 -0.597 1
1 110 . 19 1 1 A 20 20 THR C C 20 172.920 173.667 -0.747 1
1 111 . 19 1 1 A 20 20 THR CA C 20 60.960 61.523 -0.563 1
1 112 . 19 1 1 A 20 20 THR CB C 20 71.732 71.219 0.513 1
1 114 . 19 1 1 A 20 20 THR N N 20 117.905 124.227 -6.322 1
1 115 . 19 1 1 A 21 21 HIS H H 21 9.755 9.399 0.356 1
1 116 . 19 1 1 A 21 21 HIS HA H 21 5.053 4.913 0.140 1
1 121 . 19 1 1 A 21 21 HIS C C 21 175.830 176.237 -0.407 1
1 122 . 19 1 1 A 21 21 HIS CA C 21 55.561 55.476 0.085 1
1 123 . 19 1 1 A 21 21 HIS CB C 21 36.450 31.307 5.143 1
1 126 . 19 1 1 A 21 21 HIS N N 21 122.170 125.023 -2.853 1
1 127 . 19 1 1 A 22 22 ALA H H 22 9.098 8.458 0.640 1
1 128 . 19 1 1 A 22 22 ALA HA H 22 4.116 4.021 0.095 1
1 132 . 19 1 1 A 22 22 ALA C C 22 178.340 179.136 -0.796 1
1 133 . 19 1 1 A 22 22 ALA CA C 22 54.670 54.554 0.116 1
1 134 . 19 1 1 A 22 22 ALA CB C 22 20.870 18.406 2.464 1
1 135 . 19 1 1 A 22 22 ALA N N 22 128.332 127.005 1.327 1
1 136 . 19 1 1 A 23 23 ASN H H 23 10.395 7.984 2.411 1
1 137 . 19 1 1 A 23 23 ASN HA H 23 5.066 4.535 0.531 1
1 142 . 19 1 1 A 23 23 ASN C C 23 175.090 175.053 0.037 1
1 143 . 19 1 1 A 23 23 ASN CA C 23 53.649 55.144 -1.495 1
1 144 . 19 1 1 A 23 23 ASN CB C 23 41.160 39.079 2.081 1
1 145 . 19 1 1 A 23 23 ASN N N 23 116.400 116.309 0.091 1
1 147 . 19 1 1 A 24 24 LEU H H 24 7.752 7.793 -0.041 1
1 148 . 19 1 1 A 24 24 LEU HA H 24 4.637 4.525 0.112 1
1 157 . 19 1 1 A 24 24 LEU C C 24 176.810 176.554 0.256 1
1 158 . 19 1 1 A 24 24 LEU CA C 24 53.380 54.290 -0.910 1
1 159 . 19 1 1 A 24 24 LEU CB C 24 41.630 43.646 -2.016 1
1 162 . 19 1 1 A 24 24 LEU N N 24 122.870 117.994 4.876 1
1 163 . 19 1 1 A 25 25 LYS H H 25 8.491 8.824 -0.333 1
1 164 . 19 1 1 A 25 25 LYS HA H 25 4.196 4.170 0.026 1
1 171 . 19 1 1 A 25 25 LYS C C 25 177.530 177.900 -0.370 1
1 172 . 19 1 1 A 25 25 LYS CA C 25 59.270 58.482 0.788 1
1 173 . 19 1 1 A 25 25 LYS CB C 25 32.300 31.843 0.457 1
1 177 . 19 1 1 A 25 25 LYS N N 25 124.310 125.212 -0.902 1
1 178 . 19 1 1 A 26 26 SER H H 26 8.512 7.626 0.886 1
1 179 . 19 1 1 A 26 26 SER HA H 26 4.513 4.515 -0.002 1
1 182 . 19 1 1 A 26 26 SER C C 26 174.090 174.404 -0.314 1
1 183 . 19 1 1 A 26 26 SER CA C 26 58.200 59.250 -1.050 1
1 184 . 19 1 1 A 26 26 SER CB C 26 63.487 63.566 -0.079 1
1 185 . 19 1 1 A 26 26 SER N N 26 111.482 114.878 -3.396 1
1 186 . 19 1 1 A 27 27 PHE H H 27 7.723 7.837 -0.114 1
1 187 . 19 1 1 A 27 27 PHE HA H 27 4.463 4.788 -0.325 1
1 194 . 19 1 1 A 27 27 PHE C C 27 175.270 174.165 1.105 1
1 195 . 19 1 1 A 27 27 PHE CA C 27 59.290 56.454 2.836 1
1 196 . 19 1 1 A 27 27 PHE CB C 27 40.440 38.740 1.700 1
1 201 . 19 1 1 A 27 27 PHE N N 27 123.451 123.338 0.113 1
1 202 . 19 1 1 A 28 28 SER H H 28 7.702 8.416 -0.714 1
1 203 . 19 1 1 A 28 28 SER HA H 28 4.630 5.057 -0.427 1
1 206 . 19 1 1 A 28 28 SER C C 28 172.060 172.940 -0.880 1
1 207 . 19 1 1 A 28 28 SER CA C 28 57.700 57.680 0.020 1
1 208 . 19 1 1 A 28 28 SER CB C 28 64.600 64.327 0.273 1
1 209 . 19 1 1 A 28 28 SER N N 28 123.039 123.943 -0.904 1
1 210 . 19 1 1 A 29 29 ALA H H 29 8.154 8.636 -0.482 1
1 211 . 19 1 1 A 29 29 ALA HA H 29 4.655 4.999 -0.344 1
1 215 . 19 1 1 A 29 29 ALA C C 29 174.090 175.480 -1.390 1
1 216 . 19 1 1 A 29 29 ALA CA C 29 51.300 49.837 1.463 1
1 217 . 19 1 1 A 29 29 ALA CB C 29 22.900 21.234 1.666 1
1 218 . 19 1 1 A 29 29 ALA N N 29 124.700 128.211 -3.511 1
1 219 . 19 1 1 A 30 30 ASP H H 30 8.395 8.702 -0.307 1
1 220 . 19 1 1 A 30 30 ASP HA H 30 5.532 4.731 0.801 1
1 223 . 19 1 1 A 30 30 ASP C C 30 174.320 174.830 -0.510 1
1 224 . 19 1 1 A 30 30 ASP CA C 30 53.870 52.744 1.126 1
1 225 . 19 1 1 A 30 30 ASP CB C 30 44.420 42.652 1.768 1
1 226 . 19 1 1 A 30 30 ASP N N 30 117.900 122.023 -4.123 1
1 227 . 19 1 1 A 31 31 ALA H H 31 8.866 9.182 -0.316 1
1 228 . 19 1 1 A 31 31 ALA HA H 31 4.554 5.492 -0.938 1
1 232 . 19 1 1 A 31 31 ALA C C 31 174.240 176.511 -2.271 1
1 233 . 19 1 1 A 31 31 ALA CA C 31 51.710 49.803 1.907 1
1 234 . 19 1 1 A 31 31 ALA CB C 31 22.710 21.711 0.999 1
1 235 . 19 1 1 A 31 31 ALA N N 31 121.463 129.087 -7.624 1
1 236 . 19 1 1 A 32 32 ARG H H 32 8.056 8.811 -0.755 1
1 237 . 19 1 1 A 32 32 ARG HA H 32 5.232 5.717 -0.485 1
1 244 . 19 1 1 A 32 32 ARG C C 32 175.610 174.977 0.633 1
1 245 . 19 1 1 A 32 32 ARG CA C 32 54.780 54.565 0.215 1
1 246 . 19 1 1 A 32 32 ARG CB C 32 31.840 33.689 -1.849 1
1 249 . 19 1 1 A 32 32 ARG N N 32 119.065 120.641 -1.576 1
1 250 . 19 1 1 A 33 33 PHE H H 33 8.787 8.995 -0.208 1
1 251 . 19 1 1 A 33 33 PHE HA H 33 4.900 4.799 0.101 1
1 258 . 19 1 1 A 33 33 PHE C C 33 175.050 173.581 1.469 1
1 259 . 19 1 1 A 33 33 PHE CA C 33 55.790 57.992 -2.202 1
1 260 . 19 1 1 A 33 33 PHE CB C 33 43.300 40.564 2.736 1
1 265 . 19 1 1 A 33 33 PHE N N 33 119.356 122.084 -2.728 1
1 266 . 19 1 1 A 34 34 SER H H 34 8.361 7.689 0.672 1
1 267 . 19 1 1 A 34 34 SER HA H 34 4.910 5.026 -0.116 1
1 268 . 19 1 1 A 34 34 SER CA C 34 55.270 56.463 -1.193 1
1 269 . 19 1 1 A 34 34 SER CB C 34 64.310 63.107 1.203 1
1 270 . 19 1 1 A 34 34 SER N N 34 118.000 116.004 1.996 1
1 271 . 19 1 1 A 35 35 PRO HA H 35 4.183 4.568 -0.385 1
1 278 . 19 1 1 A 35 35 PRO C C 35 176.460 177.594 -1.134 1
1 279 . 19 1 1 A 35 35 PRO CA C 35 64.120 64.529 -0.409 1
1 280 . 19 1 1 A 35 35 PRO CB C 35 32.140 31.870 0.270 1
1 283 . 19 1 1 A 36 36 GLN H H 36 8.013 8.451 -0.438 1
1 284 . 19 1 1 A 36 36 GLN HA H 36 4.278 4.492 -0.214 1
1 291 . 19 1 1 A 36 36 GLN C C 36 176.630 175.391 1.239 1
1 292 . 19 1 1 A 36 36 GLN CA C 36 56.600 56.097 0.503 1
1 293 . 19 1 1 A 36 36 GLN CB C 36 29.380 29.212 0.168 1
1 295 . 19 1 1 A 36 36 GLN N N 36 114.700 116.866 -2.166 1
1 297 . 19 1 1 A 37 37 MET H H 37 7.628 7.274 0.354 1
1 298 . 19 1 1 A 37 37 MET HA H 37 4.314 4.577 -0.263 1
1 303 . 19 1 1 A 37 37 MET C C 37 174.480 175.945 -1.465 1
1 304 . 19 1 1 A 37 37 MET CA C 37 56.260 55.992 0.268 1
1 305 . 19 1 1 A 37 37 MET CB C 37 34.890 33.780 1.110 1
1 307 . 19 1 1 A 37 37 MET N N 37 120.895 121.869 -0.974 1
1 308 . 19 1 1 A 38 38 SER H H 38 8.740 8.751 -0.011 1
1 309 . 19 1 1 A 38 38 SER HA H 38 4.650 5.059 -0.409 1
1 312 . 19 1 1 A 38 38 SER C C 38 175.320 174.256 1.064 1
1 313 . 19 1 1 A 38 38 SER CA C 38 57.555 57.277 0.278 1
1 314 . 19 1 1 A 38 38 SER CB C 38 64.800 65.857 -1.057 1
1 315 . 19 1 1 A 38 38 SER N N 38 119.800 122.072 -2.272 1
1 316 . 19 1 1 A 39 39 VAL H H 39 8.619 8.633 -0.014 1
1 317 . 19 1 1 A 39 39 VAL HA H 39 3.405 3.644 -0.239 1
1 325 . 19 1 1 A 39 39 VAL C C 39 177.950 177.848 0.102 1
1 326 . 19 1 1 A 39 39 VAL CA C 39 68.010 66.078 1.932 1
1 327 . 19 1 1 A 39 39 VAL CB C 39 31.830 31.440 0.390 1
1 330 . 19 1 1 A 39 39 VAL N N 39 122.324 123.949 -1.625 1
1 331 . 19 1 1 A 40 40 GLU H H 40 8.737 8.575 0.162 1
1 332 . 19 1 1 A 40 40 GLU HA H 40 3.743 3.910 -0.167 1
1 337 . 19 1 1 A 40 40 GLU C C 40 177.450 178.449 -0.999 1
1 338 . 19 1 1 A 40 40 GLU CA C 40 60.570 59.583 0.987 1
1 339 . 19 1 1 A 40 40 GLU CB C 40 30.000 29.799 0.201 1
1 341 . 19 1 1 A 40 40 GLU N N 40 120.358 120.576 -0.218 1
1 342 . 19 1 1 A 41 41 ALA H H 41 8.056 7.871 0.185 1
1 343 . 19 1 1 A 41 41 ALA HA H 41 4.275 4.110 0.165 1
1 347 . 19 1 1 A 41 41 ALA C C 41 181.560 179.602 1.958 1
1 348 . 19 1 1 A 41 41 ALA CA C 41 55.080 55.320 -0.240 1
1 349 . 19 1 1 A 41 41 ALA CB C 41 18.570 18.058 0.512 1
1 350 . 19 1 1 A 41 41 ALA N N 41 123.045 122.358 0.687 1
1 351 . 19 1 1 A 42 42 VAL H H 42 8.519 7.545 0.974 1
1 352 . 19 1 1 A 42 42 VAL HA H 42 3.456 3.857 -0.401 1
1 360 . 19 1 1 A 42 42 VAL C C 42 177.950 177.556 0.394 1
1 361 . 19 1 1 A 42 42 VAL CA C 42 67.440 64.909 2.531 1
1 362 . 19 1 1 A 42 42 VAL CB C 42 31.370 31.368 0.002 1
1 365 . 19 1 1 A 42 42 VAL N N 42 122.576 117.076 5.500 1
1 366 . 19 1 1 A 43 43 LYS H H 43 8.660 7.851 0.809 1
1 367 . 19 1 1 A 43 43 LYS HA H 43 3.905 3.977 -0.072 1
1 374 . 19 1 1 A 43 43 LYS C C 43 178.490 179.727 -1.237 1
1 375 . 19 1 1 A 43 43 LYS CA C 43 61.080 60.157 0.923 1
1 376 . 19 1 1 A 43 43 LYS CB C 43 33.450 32.109 1.341 1
1 380 . 19 1 1 A 43 43 LYS N N 43 118.752 122.672 -3.920 1
1 381 . 19 1 1 A 44 44 GLU H H 44 8.109 8.470 -0.361 1
1 382 . 19 1 1 A 44 44 GLU HA H 44 4.100 4.299 -0.199 1
1 387 . 19 1 1 A 44 44 GLU C C 44 178.760 179.396 -0.636 1
1 388 . 19 1 1 A 44 44 GLU CA C 44 60.560 59.508 1.052 1
1 389 . 19 1 1 A 44 44 GLU CB C 44 29.700 29.632 0.068 1
1 391 . 19 1 1 A 44 44 GLU N N 44 118.904 120.384 -1.480 1
1 392 . 19 1 1 A 45 45 LYS H H 45 7.868 7.901 -0.033 1
1 393 . 19 1 1 A 45 45 LYS HA H 45 4.147 4.097 0.050 1
1 400 . 19 1 1 A 45 45 LYS C C 45 180.020 179.046 0.974 1
1 401 . 19 1 1 A 45 45 LYS CA C 45 59.210 59.461 -0.251 1
1 402 . 19 1 1 A 45 45 LYS CB C 45 32.540 32.070 0.470 1
1 406 . 19 1 1 A 45 45 LYS N N 45 118.353 121.261 -2.908 1
1 407 . 19 1 1 A 46 46 LEU H H 46 8.538 8.539 -0.001 1
1 408 . 19 1 1 A 46 46 LEU HA H 46 4.147 3.978 0.169 1
1 418 . 19 1 1 A 46 46 LEU C C 46 179.950 179.104 0.846 1
1 419 . 19 1 1 A 46 46 LEU CA C 46 57.900 57.906 -0.006 1
1 420 . 19 1 1 A 46 46 LEU CB C 46 40.800 41.916 -1.116 1
1 424 . 19 1 1 A 46 46 LEU N N 46 118.568 118.746 -0.178 1
1 425 . 19 1 1 A 47 47 TRP H H 47 9.308 8.651 0.657 1
1 426 . 19 1 1 A 47 47 TRP HA H 47 4.636 4.093 0.543 1
1 435 . 19 1 1 A 47 47 TRP C C 47 179.040 178.263 0.777 1
1 436 . 19 1 1 A 47 47 TRP CA C 47 60.312 60.544 -0.232 1
1 437 . 19 1 1 A 47 47 TRP CB C 47 28.080 29.754 -1.674 1
1 443 . 19 1 1 A 47 47 TRP N N 47 127.808 120.268 7.540 1
1 445 . 19 1 1 A 48 48 LYS H H 48 7.362 7.940 -0.578 1
1 446 . 19 1 1 A 48 48 LYS HA H 48 3.238 3.722 -0.484 1
1 453 . 19 1 1 A 48 48 LYS C C 48 177.660 178.749 -1.089 1
1 454 . 19 1 1 A 48 48 LYS CA C 48 58.360 58.500 -0.140 1
1 455 . 19 1 1 A 48 48 LYS CB C 48 32.090 32.182 -0.092 1
1 459 . 19 1 1 A 48 48 LYS N N 48 118.583 118.509 0.074 1
1 460 . 19 1 1 A 49 49 LYS H H 49 7.339 7.852 -0.513 1
1 461 . 19 1 1 A 49 49 LYS HA H 49 4.388 4.071 0.317 1
1 468 . 19 1 1 A 49 49 LYS C C 49 177.120 177.895 -0.775 1
1 469 . 19 1 1 A 49 49 LYS CA C 49 57.469 58.973 -1.504 1
1 470 . 19 1 1 A 49 49 LYS CB C 49 33.990 33.247 0.743 1
1 474 . 19 1 1 A 49 49 LYS N N 49 114.530 119.563 -5.033 1
1 475 . 19 1 1 A 50 50 CYS H H 50 8.092 8.254 -0.162 1
1 476 . 19 1 1 A 50 50 CYS HA H 50 4.880 4.617 0.263 1
1 479 . 19 1 1 A 50 50 CYS C C 50 174.560 175.073 -0.513 1
1 480 . 19 1 1 A 50 50 CYS CA C 50 57.213 59.764 -2.551 1
1 481 . 19 1 1 A 50 50 CYS CB C 50 31.470 30.041 1.429 1
1 482 . 19 1 1 A 50 50 CYS N N 50 110.536 115.402 -4.866 1
1 483 . 19 1 1 A 51 51 GLY H H 51 8.644 8.208 0.436 1
1 484 . 19 1 1 A 51 51 GLY HA2 H 51 4.248 3.932 0.316 1
1 485 . 19 1 1 A 51 51 GLY HA3 H 51 3.650 3.932 -0.282 1
1 486 . 19 1 1 A 51 51 GLY C C 51 173.800 175.527 -1.727 1
1 487 . 19 1 1 A 51 51 GLY CA C 51 46.390 47.039 -0.649 1
1 488 . 19 1 1 A 51 51 GLY N N 51 113.666 108.634 5.032 1
1 489 . 19 1 1 A 52 52 THR H H 52 7.781 8.574 -0.793 1
1 490 . 19 1 1 A 52 52 THR HA H 52 4.277 4.278 -0.001 1
1 495 . 19 1 1 A 52 52 THR C C 52 172.080 174.976 -2.896 1
1 496 . 19 1 1 A 52 52 THR CA C 52 63.630 65.543 -1.913 1
1 497 . 19 1 1 A 52 52 THR CB C 52 69.720 69.452 0.268 1
1 499 . 19 1 1 A 52 52 THR N N 52 121.643 118.648 2.995 1
1 500 . 19 1 1 A 53 53 SER H H 53 8.606 8.167 0.439 1
1 501 . 19 1 1 A 53 53 SER HA H 53 3.775 4.813 -1.038 1
1 504 . 19 1 1 A 53 53 SER C C 53 175.890 173.241 2.649 1
1 505 . 19 1 1 A 53 53 SER CA C 53 58.590 56.772 1.818 1
1 506 . 19 1 1 A 53 53 SER CB C 53 63.620 64.958 -1.338 1
1 507 . 19 1 1 A 53 53 SER N N 53 120.903 112.486 8.417 1
1 508 . 19 1 1 A 54 54 VAL H H 54 7.895 8.573 -0.678 1
1 509 . 19 1 1 A 54 54 VAL HA H 54 3.563 4.268 -0.705 1
1 517 . 19 1 1 A 54 54 VAL C C 54 178.260 175.567 2.693 1
1 518 . 19 1 1 A 54 54 VAL CA C 54 66.600 61.587 5.013 1
1 519 . 19 1 1 A 54 54 VAL CB C 54 31.630 31.265 0.365 1
1 522 . 19 1 1 A 54 54 VAL N N 54 121.121 121.443 -0.322 1
1 523 . 19 1 1 A 55 55 ASN H H 55 8.148 9.103 -0.955 1
1 524 . 19 1 1 A 55 55 ASN HA H 55 4.496 4.883 -0.387 1
1 529 . 19 1 1 A 55 55 ASN C C 55 175.640 177.148 -1.508 1
1 530 . 19 1 1 A 55 55 ASN CA C 55 54.875 54.773 0.102 1
1 531 . 19 1 1 A 55 55 ASN CB C 55 38.120 39.988 -1.868 1
1 532 . 19 1 1 A 55 55 ASN N N 55 115.018 125.005 -9.987 1
1 534 . 19 1 1 A 56 56 SER H H 56 7.559 7.905 -0.346 1
1 535 . 19 1 1 A 56 56 SER HA H 56 4.585 4.514 0.071 1
1 538 . 19 1 1 A 56 56 SER C C 56 171.180 173.701 -2.521 1
1 539 . 19 1 1 A 56 56 SER CA C 56 57.260 58.621 -1.361 1
1 540 . 19 1 1 A 56 56 SER CB C 56 64.260 63.955 0.305 1
1 541 . 19 1 1 A 56 56 SER N N 56 114.545 112.700 1.845 1
1 542 . 19 1 1 A 57 57 MET H H 57 7.177 7.766 -0.589 1
1 543 . 19 1 1 A 57 57 MET HA H 57 4.785 5.254 -0.469 1
1 548 . 19 1 1 A 57 57 MET C C 57 175.400 174.368 1.032 1
1 549 . 19 1 1 A 57 57 MET CA C 57 55.631 54.039 1.592 1
1 550 . 19 1 1 A 57 57 MET CB C 57 36.740 34.348 2.392 1
1 552 . 19 1 1 A 57 57 MET N N 57 120.883 121.006 -0.123 1
1 553 . 19 1 1 A 58 58 ALA H H 58 9.226 8.932 0.294 1
1 554 . 19 1 1 A 58 58 ALA HA H 58 4.723 5.124 -0.401 1
1 558 . 19 1 1 A 58 58 ALA C C 58 175.360 175.947 -0.587 1
1 559 . 19 1 1 A 58 58 ALA CA C 58 50.327 50.197 0.130 1
1 560 . 19 1 1 A 58 58 ALA CB C 58 21.580 20.528 1.052 1
1 561 . 19 1 1 A 58 58 ALA N N 58 129.559 130.135 -0.576 1
1 562 . 19 1 1 A 59 59 LEU H H 59 8.307 9.084 -0.777 1
1 563 . 19 1 1 A 59 59 LEU HA H 59 5.393 4.834 0.559 1
1 573 . 19 1 1 A 59 59 LEU C C 59 175.470 175.746 -0.276 1
1 574 . 19 1 1 A 59 59 LEU CA C 59 52.970 54.169 -1.199 1
1 575 . 19 1 1 A 59 59 LEU CB C 59 47.410 41.627 5.783 1
1 579 . 19 1 1 A 59 59 LEU N N 59 118.793 123.855 -5.062 1
1 580 . 19 1 1 A 60 60 GLU H H 60 8.978 8.621 0.357 1
1 581 . 19 1 1 A 60 60 GLU HA H 60 4.789 4.758 0.031 1
1 586 . 19 1 1 A 60 60 GLU C C 60 173.670 175.010 -1.340 1
1 587 . 19 1 1 A 60 60 GLU CA C 60 54.246 56.140 -1.894 1
1 588 . 19 1 1 A 60 60 GLU CB C 60 35.470 30.780 4.690 1
1 590 . 19 1 1 A 60 60 GLU N N 60 121.100 124.283 -3.183 1
1 591 . 19 1 1 A 61 61 LEU H H 61 8.651 9.011 -0.360 1
1 592 . 19 1 1 A 61 61 LEU HA H 61 5.541 5.203 0.338 1
1 602 . 19 1 1 A 61 61 LEU C C 61 174.270 174.638 -0.368 1
1 603 . 19 1 1 A 61 61 LEU CA C 61 53.120 53.583 -0.463 1
1 604 . 19 1 1 A 61 61 LEU CB C 61 46.890 44.063 2.827 1
1 608 . 19 1 1 A 61 61 LEU N N 61 122.689 127.529 -4.840 1
1 609 . 19 1 1 A 62 62 TYR H H 62 10.028 9.471 0.557 1
1 610 . 19 1 1 A 62 62 TYR HA H 62 5.096 5.101 -0.005 1
1 617 . 19 1 1 A 62 62 TYR C C 62 175.180 175.320 -0.140 1
1 618 . 19 1 1 A 62 62 TYR CA C 62 56.520 57.411 -0.891 1
1 619 . 19 1 1 A 62 62 TYR CB C 62 42.520 40.660 1.860 1
1 624 . 19 1 1 A 62 62 TYR N N 62 126.875 127.621 -0.746 1
1 625 . 19 1 1 A 63 63 ASP H H 63 8.573 8.693 -0.120 1
1 626 . 19 1 1 A 63 63 ASP HA H 63 2.824 4.898 -2.074 1
1 629 . 19 1 1 A 63 63 ASP C C 63 176.470 176.457 0.013 1
1 630 . 19 1 1 A 63 63 ASP CA C 63 51.490 51.664 -0.174 1
1 631 . 19 1 1 A 63 63 ASP CB C 63 41.490 41.973 -0.483 1
1 632 . 19 1 1 A 63 63 ASP N N 63 118.563 121.581 -3.018 1
1 633 . 19 1 1 A 64 64 ASP H H 64 8.319 8.833 -0.514 1
1 634 . 19 1 1 A 64 64 ASP HA H 64 4.396 4.266 0.130 1
1 637 . 19 1 1 A 64 64 ASP C C 64 176.670 178.052 -1.382 1
1 638 . 19 1 1 A 64 64 ASP CA C 64 55.270 56.797 -1.527 1
1 639 . 19 1 1 A 64 64 ASP CB C 64 39.540 40.450 -0.910 1
1 640 . 19 1 1 A 64 64 ASP N N 64 114.728 120.202 -5.474 1
1 641 . 19 1 1 A 65 65 SER H H 65 8.305 7.826 0.479 1
1 642 . 19 1 1 A 65 65 SER HA H 65 4.640 4.380 0.260 1
1 645 . 19 1 1 A 65 65 SER C C 65 174.700 174.563 0.137 1
1 646 . 19 1 1 A 65 65 SER CA C 65 58.550 59.813 -1.263 1
1 647 . 19 1 1 A 65 65 SER CB C 65 64.393 63.391 1.002 1
1 648 . 19 1 1 A 65 65 SER N N 65 115.837 111.797 4.040 1
1 649 . 19 1 1 A 66 66 GLY H H 66 7.876 7.999 -0.123 1
1 650 . 19 1 1 A 66 66 GLY HA2 H 66 4.284 4.089 0.195 1
1 651 . 19 1 1 A 66 66 GLY HA3 H 66 3.679 4.145 -0.466 1
1 652 . 19 1 1 A 66 66 GLY C C 66 174.550 174.007 0.543 1
1 653 . 19 1 1 A 66 66 GLY CA C 66 45.570 45.136 0.434 1
1 654 . 19 1 1 A 66 66 GLY N N 66 109.151 108.684 0.467 1
1 655 . 19 1 1 A 67 67 SER H H 67 8.416 8.300 0.116 1
1 656 . 19 1 1 A 67 67 SER HA H 67 4.583 4.764 -0.181 1
1 659 . 19 1 1 A 67 67 SER C C 67 173.680 173.381 0.299 1
1 660 . 19 1 1 A 67 67 SER CA C 67 58.070 57.607 0.463 1
1 661 . 19 1 1 A 67 67 SER CB C 67 63.300 65.623 -2.323 1
1 662 . 19 1 1 A 67 67 SER N N 67 119.156 116.125 3.031 1
1 663 . 19 1 1 A 68 68 LYS H H 68 8.880 8.188 0.692 1
1 664 . 19 1 1 A 68 68 LYS HA H 68 3.233 4.475 -1.242 1
1 671 . 19 1 1 A 68 68 LYS C C 68 176.440 176.774 -0.334 1
1 672 . 19 1 1 A 68 68 LYS CA C 68 57.920 55.696 2.224 1
1 673 . 19 1 1 A 68 68 LYS CB C 68 31.822 32.393 -0.571 1
1 677 . 19 1 1 A 68 68 LYS N N 68 128.005 122.700 5.305 1
1 678 . 19 1 1 A 69 69 VAL H H 69 9.215 8.791 0.424 1
1 679 . 19 1 1 A 69 69 VAL HA H 69 4.185 4.512 -0.327 1
1 687 . 19 1 1 A 69 69 VAL C C 69 176.170 175.865 0.305 1
1 688 . 19 1 1 A 69 69 VAL CA C 69 62.860 60.965 1.895 1
1 689 . 19 1 1 A 69 69 VAL CB C 69 33.660 31.889 1.771 1
1 692 . 19 1 1 A 69 69 VAL N N 69 126.574 119.499 7.075 1
1 693 . 19 1 1 A 70 70 ALA H H 70 7.647 7.315 0.332 1
1 694 . 19 1 1 A 70 70 ALA HA H 70 4.614 4.237 0.377 1
1 698 . 19 1 1 A 70 70 ALA C C 70 175.170 176.408 -1.238 1
1 699 . 19 1 1 A 70 70 ALA CA C 70 52.400 51.606 0.794 1
1 700 . 19 1 1 A 70 70 ALA CB C 70 23.350 19.023 4.327 1
1 701 . 19 1 1 A 70 70 ALA N N 70 118.268 126.342 -8.074 1
1 702 . 19 1 1 A 71 71 VAL H H 71 8.428 8.709 -0.281 1
1 703 . 19 1 1 A 71 71 VAL HA H 71 4.216 4.751 -0.535 1
1 711 . 19 1 1 A 71 71 VAL C C 71 175.810 173.991 1.819 1
1 712 . 19 1 1 A 71 71 VAL CA C 71 62.380 60.095 2.285 1
1 713 . 19 1 1 A 71 71 VAL CB C 71 33.120 34.956 -1.836 1
1 716 . 19 1 1 A 71 71 VAL N N 71 119.624 122.417 -2.793 1
1 717 . 19 1 1 A 72 72 LEU H H 72 8.333 8.746 -0.413 1
1 718 . 19 1 1 A 72 72 LEU HA H 72 3.882 4.472 -0.590 1
1 728 . 19 1 1 A 72 72 LEU C C 72 176.580 176.484 0.096 1
1 729 . 19 1 1 A 72 72 LEU CA C 72 54.600 54.415 0.185 1
1 730 . 19 1 1 A 72 72 LEU CB C 72 37.880 39.974 -2.094 1
1 734 . 19 1 1 A 72 72 LEU N N 72 130.241 131.179 -0.938 1
1 735 . 19 1 1 A 73 73 SER H H 73 7.865 8.498 -0.633 1
1 736 . 19 1 1 A 73 73 SER HA H 73 4.304 4.743 -0.439 1
1 739 . 19 1 1 A 73 73 SER C C 73 173.470 173.841 -0.371 1
1 740 . 19 1 1 A 73 73 SER CA C 73 59.400 59.639 -0.239 1
1 741 . 19 1 1 A 73 73 SER CB C 73 64.230 65.411 -1.181 1
1 742 . 19 1 1 A 73 73 SER N N 73 116.577 119.751 -3.174 1
1 743 . 19 1 1 A 74 74 ASP H H 74 7.553 8.005 -0.452 1
1 744 . 19 1 1 A 74 74 ASP HA H 74 4.858 4.879 -0.021 1
1 747 . 19 1 1 A 74 74 ASP C C 74 175.910 175.814 0.096 1
1 748 . 19 1 1 A 74 74 ASP CA C 74 53.057 52.654 0.403 1
1 749 . 19 1 1 A 74 74 ASP CB C 74 41.720 40.929 0.791 1
1 750 . 19 1 1 A 74 74 ASP N N 74 120.482 119.917 0.565 1
1 751 . 19 1 1 A 75 75 ASP H H 75 8.601 8.754 -0.153 1
1 752 . 19 1 1 A 75 75 ASP HA H 75 4.375 4.671 -0.296 1
1 755 . 19 1 1 A 75 75 ASP C C 75 176.590 176.295 0.295 1
1 756 . 19 1 1 A 75 75 ASP CA C 75 56.760 54.669 2.091 1
1 757 . 19 1 1 A 75 75 ASP CB C 75 41.310 41.246 0.064 1
1 758 . 19 1 1 A 75 75 ASP N N 75 125.434 123.851 1.583 1
1 759 . 19 1 1 A 76 76 SER H H 76 8.558 7.877 0.681 1
1 760 . 19 1 1 A 76 76 SER HA H 76 4.463 4.721 -0.258 1
1 763 . 19 1 1 A 76 76 SER C C 76 175.630 173.441 2.189 1
1 764 . 19 1 1 A 76 76 SER CA C 76 59.320 57.958 1.362 1
1 765 . 19 1 1 A 76 76 SER CB C 76 64.255 63.272 0.983 1
1 766 . 19 1 1 A 76 76 SER N N 76 112.502 113.900 -1.398 1
1 767 . 19 1 1 A 77 77 ARG H H 77 7.381 7.482 -0.101 1
1 768 . 19 1 1 A 77 77 ARG HA H 77 4.318 4.737 -0.419 1
1 775 . 19 1 1 A 77 77 ARG CA C 77 53.260 52.774 0.486 1
1 776 . 19 1 1 A 77 77 ARG CB C 77 30.880 31.380 -0.500 1
1 779 . 19 1 1 A 77 77 ARG N N 77 123.368 119.509 3.859 1
1 780 . 19 1 1 A 78 78 PRO HA H 78 4.697 4.766 -0.069 1
1 787 . 19 1 1 A 78 78 PRO C C 78 178.090 177.946 0.144 1
1 788 . 19 1 1 A 78 78 PRO CA C 78 61.970 62.628 -0.658 1
1 789 . 19 1 1 A 78 78 PRO CB C 78 31.380 31.296 0.084 1
1 792 . 19 1 1 A 79 79 LEU H H 79 9.260 8.173 1.087 1
1 793 . 19 1 1 A 79 79 LEU HA H 79 4.099 4.096 0.003 1
1 803 . 19 1 1 A 79 79 LEU C C 79 178.680 179.297 -0.617 1
1 804 . 19 1 1 A 79 79 LEU CA C 79 58.290 57.461 0.829 1
1 805 . 19 1 1 A 79 79 LEU CB C 79 42.160 41.476 0.684 1
1 809 . 19 1 1 A 79 79 LEU N N 79 124.739 123.882 0.857 1
1 810 . 19 1 1 A 80 80 GLY H H 80 9.611 8.325 1.286 1
1 811 . 19 1 1 A 80 80 GLY HA2 H 80 4.003 4.072 -0.069 1
1 812 . 19 1 1 A 80 80 GLY HA3 H 80 3.683 4.111 -0.428 1
1 813 . 19 1 1 A 80 80 GLY C C 80 175.850 175.016 0.834 1
1 814 . 19 1 1 A 80 80 GLY CA C 80 46.830 45.861 0.969 1
1 815 . 19 1 1 A 80 80 GLY N N 80 102.276 106.509 -4.233 1
1 816 . 19 1 1 A 81 81 PHE H H 81 8.177 8.028 0.149 1
1 817 . 19 1 1 A 81 81 PHE HA H 81 4.090 4.340 -0.250 1
1 822 . 19 1 1 A 81 81 PHE C C 81 175.810 177.541 -1.731 1
1 823 . 19 1 1 A 81 81 PHE CA C 81 60.560 60.137 0.423 1
1 824 . 19 1 1 A 81 81 PHE CB C 81 39.640 39.859 -0.219 1
1 827 . 19 1 1 A 81 81 PHE N N 81 123.413 120.505 2.908 1
1 828 . 19 1 1 A 82 82 PHE H H 82 7.733 7.914 -0.181 1
1 829 . 19 1 1 A 82 82 PHE HA H 82 4.171 4.239 -0.068 1
1 834 . 19 1 1 A 82 82 PHE C C 82 172.960 175.097 -2.137 1
1 835 . 19 1 1 A 82 82 PHE CA C 82 57.730 61.007 -3.277 1
1 836 . 19 1 1 A 82 82 PHE CB C 82 38.670 40.140 -1.470 1
1 839 . 19 1 1 A 82 82 PHE N N 82 114.781 120.351 -5.570 1
1 840 . 19 1 1 A 83 83 SER H H 83 7.541 8.204 -0.663 1
1 841 . 19 1 1 A 83 83 SER HA H 83 3.898 4.911 -1.013 1
1 844 . 19 1 1 A 83 83 SER CA C 83 57.980 55.776 2.204 1
1 845 . 19 1 1 A 83 83 SER CB C 83 61.882 65.427 -3.545 1
1 846 . 19 1 1 A 83 83 SER N N 83 108.622 109.352 -0.730 1
1 847 . 19 1 1 A 85 85 PHE HA H 85 4.447 5.266 -0.819 1
1 854 . 19 1 1 A 85 85 PHE C C 85 173.640 174.634 -0.994 1
1 855 . 19 1 1 A 85 85 PHE CA C 85 55.600 56.983 -1.383 1
1 856 . 19 1 1 A 85 85 PHE CB C 85 42.180 40.486 1.694 1
1 861 . 19 1 1 A 86 86 ASP H H 86 8.469 8.710 -0.241 1
1 862 . 19 1 1 A 86 86 ASP HA H 86 4.934 4.381 0.553 1
1 865 . 19 1 1 A 86 86 ASP C C 86 177.910 177.597 0.313 1
1 866 . 19 1 1 A 86 86 ASP CA C 86 55.927 56.856 -0.929 1
1 867 . 19 1 1 A 86 86 ASP CB C 86 41.109 41.110 -0.001 1
1 868 . 19 1 1 A 86 86 ASP N N 86 119.276 123.446 -4.170 1
1 869 . 19 1 1 A 87 87 GLY H H 87 9.163 6.846 2.317 1
1 870 . 19 1 1 A 87 87 GLY HA2 H 87 4.570 4.111 0.459 1
1 871 . 19 1 1 A 87 87 GLY HA3 H 87 3.701 4.217 -0.516 1
1 872 . 19 1 1 A 87 87 GLY C C 87 175.180 173.754 1.426 1
1 873 . 19 1 1 A 87 87 GLY CA C 87 45.540 45.627 -0.087 1
1 874 . 19 1 1 A 87 87 GLY N N 87 109.579 103.310 6.269 1
1 875 . 19 1 1 A 88 88 PHE H H 88 8.270 8.292 -0.022 1
1 876 . 19 1 1 A 88 88 PHE HA H 88 4.653 4.919 -0.266 1
1 883 . 19 1 1 A 88 88 PHE C C 88 172.620 175.094 -2.474 1
1 884 . 19 1 1 A 88 88 PHE CA C 88 57.570 58.646 -1.076 1
1 885 . 19 1 1 A 88 88 PHE CB C 88 38.750 38.645 0.105 1
1 890 . 19 1 1 A 88 88 PHE N N 88 121.300 120.138 1.162 1
1 891 . 19 1 1 A 89 89 ARG H H 89 9.056 9.214 -0.158 1
1 892 . 19 1 1 A 89 89 ARG HA H 89 5.652 4.863 0.789 1
1 899 . 19 1 1 A 89 89 ARG C C 89 174.990 175.208 -0.218 1
1 900 . 19 1 1 A 89 89 ARG CA C 89 54.067 55.863 -1.796 1
1 901 . 19 1 1 A 89 89 ARG CB C 89 35.630 31.184 4.446 1
1 904 . 19 1 1 A 89 89 ARG N N 89 120.200 125.441 -5.241 1
1 905 . 19 1 1 A 90 90 LEU H H 90 9.487 9.179 0.308 1
1 906 . 19 1 1 A 90 90 LEU HA H 90 5.244 4.964 0.280 1
1 916 . 19 1 1 A 90 90 LEU C C 90 173.050 175.205 -2.155 1
1 917 . 19 1 1 A 90 90 LEU CA C 90 53.250 54.046 -0.796 1
1 918 . 19 1 1 A 90 90 LEU CB C 90 44.870 41.665 3.205 1
1 922 . 19 1 1 A 90 90 LEU N N 90 128.373 126.544 1.829 1
1 923 . 19 1 1 A 91 91 HIS H H 91 9.474 9.097 0.377 1
1 924 . 19 1 1 A 91 91 HIS HA H 91 5.357 4.847 0.510 1
1 929 . 19 1 1 A 91 91 HIS C C 91 173.870 173.257 0.613 1
1 930 . 19 1 1 A 91 91 HIS CA C 91 54.320 54.234 0.086 1
1 931 . 19 1 1 A 91 91 HIS CB C 91 36.070 29.744 6.326 1
1 934 . 19 1 1 A 91 91 HIS N N 91 125.565 125.286 0.279 1
1 935 . 19 1 1 A 92 92 ILE H H 92 8.341 8.474 -0.133 1
1 936 . 19 1 1 A 92 92 ILE HA H 92 4.045 4.127 -0.082 1
1 946 . 19 1 1 A 92 92 ILE C C 92 173.350 175.124 -1.774 1
1 947 . 19 1 1 A 92 92 ILE CA C 92 61.380 61.308 0.072 1
1 948 . 19 1 1 A 92 92 ILE CB C 92 40.040 37.109 2.931 1
1 952 . 19 1 1 A 92 92 ILE N N 92 126.939 128.464 -1.525 1
1 953 . 19 1 1 A 93 93 ILE H H 93 8.754 8.998 -0.244 1
1 954 . 19 1 1 A 93 93 ILE HA H 93 3.744 4.151 -0.407 1
1 964 . 19 1 1 A 93 93 ILE C C 93 174.450 173.977 0.473 1
1 965 . 19 1 1 A 93 93 ILE CA C 93 60.480 61.047 -0.567 1
1 966 . 19 1 1 A 93 93 ILE CB C 93 41.250 36.352 4.898 1
1 970 . 19 1 1 A 93 93 ILE N N 93 126.486 128.871 -2.385 1
1 971 . 19 1 1 A 94 94 ASP H H 94 7.976 8.523 -0.547 1
1 972 . 19 1 1 A 94 94 ASP HA H 94 4.881 4.677 0.204 1
1 975 . 19 1 1 A 94 94 ASP C C 94 176.710 176.160 0.550 1
1 976 . 19 1 1 A 94 94 ASP CA C 94 52.170 52.782 -0.612 1
1 977 . 19 1 1 A 94 94 ASP CB C 94 42.000 39.899 2.101 1
1 978 . 19 1 1 A 94 94 ASP N N 94 124.752 127.640 -2.888 1
1 979 . 19 1 1 A 95 95 LEU H H 95 9.218 8.960 0.258 1
1 980 . 19 1 1 A 95 95 LEU HA H 95 4.111 4.554 -0.443 1
1 990 . 19 1 1 A 95 95 LEU C C 95 177.230 176.482 0.748 1
1 991 . 19 1 1 A 95 95 LEU CA C 95 55.553 55.540 0.013 1
1 992 . 19 1 1 A 95 95 LEU CB C 95 42.380 42.491 -0.111 1
1 996 . 19 1 1 A 95 95 LEU N N 95 126.286 127.851 -1.565 1
1 997 . 19 1 1 A 96 96 ASP H H 96 8.762 7.599 1.163 1
1 998 . 19 1 1 A 96 96 ASP HA H 96 4.946 4.687 0.259 1
1 1001 . 19 1 1 A 96 96 ASP CA C 96 52.598 52.173 0.425 1
1 1002 . 19 1 1 A 96 96 ASP CB C 96 41.400 41.767 -0.367 1
1 1 . 20 1 1 A 10 10 HIS HA H 10 4.439 4.728 -0.289 1
1 4 . 20 1 1 A 10 10 HIS CA C 10 55.740 54.632 1.108 1
1 5 . 20 1 1 A 10 10 HIS CB C 10 32.490 27.693 4.797 1
1 6 . 20 1 1 A 11 11 GLY H H 11 8.463 8.587 -0.124 1
1 7 . 20 1 1 A 11 11 GLY HA2 H 11 3.930 4.176 -0.246 1
1 8 . 20 1 1 A 11 11 GLY HA3 H 11 3.989 4.199 -0.210 1
1 9 . 20 1 1 A 11 11 GLY C C 11 173.720 173.994 -0.274 1
1 10 . 20 1 1 A 11 11 GLY CA C 11 45.450 44.421 1.029 1
1 11 . 20 1 1 A 11 11 GLY N N 11 110.200 110.855 -0.655 1
1 12 . 20 1 1 A 12 12 ASP H H 12 8.174 8.903 -0.729 1
1 13 . 20 1 1 A 12 12 ASP HA H 12 4.656 4.689 -0.033 1
1 16 . 20 1 1 A 12 12 ASP C C 12 174.950 175.737 -0.787 1
1 17 . 20 1 1 A 12 12 ASP CA C 12 54.140 55.907 -1.767 1
1 18 . 20 1 1 A 12 12 ASP CB C 12 41.370 41.905 -0.535 1
1 19 . 20 1 1 A 12 12 ASP N N 12 120.300 120.820 -0.520 1
1 20 . 20 1 1 A 13 13 ASP H H 13 8.405 8.069 0.336 1
1 21 . 20 1 1 A 13 13 ASP HA H 13 4.630 4.892 -0.262 1
1 24 . 20 1 1 A 13 13 ASP C C 13 176.040 175.060 0.980 1
1 25 . 20 1 1 A 13 13 ASP CA C 13 53.910 52.839 1.071 1
1 26 . 20 1 1 A 13 13 ASP CB C 13 40.840 41.892 -1.052 1
1 27 . 20 1 1 A 13 13 ASP N N 13 121.700 116.296 5.404 1
1 28 . 20 1 1 A 14 14 SER H H 14 8.120 8.618 -0.498 1
1 29 . 20 1 1 A 14 14 SER HA H 14 4.570 5.258 -0.688 1
1 32 . 20 1 1 A 14 14 SER C C 14 173.350 173.014 0.336 1
1 33 . 20 1 1 A 14 14 SER CA C 14 59.250 57.898 1.352 1
1 34 . 20 1 1 A 14 14 SER CB C 14 64.956 65.802 -0.846 1
1 35 . 20 1 1 A 14 14 SER N N 14 114.400 117.326 -2.926 1
1 36 . 20 1 1 A 15 15 VAL H H 15 8.859 9.288 -0.429 1
1 37 . 20 1 1 A 15 15 VAL HA H 15 4.754 5.018 -0.264 1
1 45 . 20 1 1 A 15 15 VAL C C 15 174.290 174.227 0.063 1
1 46 . 20 1 1 A 15 15 VAL CA C 15 59.546 58.986 0.560 1
1 47 . 20 1 1 A 15 15 VAL CB C 15 34.830 34.964 -0.134 1
1 50 . 20 1 1 A 15 15 VAL N N 15 118.659 120.037 -1.378 1
1 51 . 20 1 1 A 16 16 HIS H H 16 9.376 8.931 0.445 1
1 52 . 20 1 1 A 16 16 HIS HA H 16 5.030 4.778 0.252 1
1 56 . 20 1 1 A 16 16 HIS C C 16 173.700 174.516 -0.816 1
1 57 . 20 1 1 A 16 16 HIS CA C 16 54.914 55.479 -0.565 1
1 58 . 20 1 1 A 16 16 HIS CB C 16 30.300 28.509 1.791 1
1 60 . 20 1 1 A 16 16 HIS N N 16 126.974 122.998 3.976 1
1 61 . 20 1 1 A 17 17 LEU H H 17 8.888 8.403 0.485 1
1 62 . 20 1 1 A 17 17 LEU HA H 17 5.100 4.771 0.329 1
1 72 . 20 1 1 A 17 17 LEU C C 17 175.750 176.014 -0.264 1
1 73 . 20 1 1 A 17 17 LEU CA C 17 53.160 54.605 -1.445 1
1 74 . 20 1 1 A 17 17 LEU CB C 17 44.890 41.090 3.800 1
1 78 . 20 1 1 A 17 17 LEU N N 17 126.426 125.674 0.752 1
1 79 . 20 1 1 A 18 18 HIS H H 18 8.610 8.784 -0.174 1
1 80 . 20 1 1 A 18 18 HIS HA H 18 5.191 4.771 0.420 1
1 84 . 20 1 1 A 18 18 HIS C C 18 174.120 174.331 -0.211 1
1 85 . 20 1 1 A 18 18 HIS CA C 18 55.120 55.543 -0.423 1
1 86 . 20 1 1 A 18 18 HIS CB C 18 31.000 28.106 2.894 1
1 88 . 20 1 1 A 18 18 HIS N N 18 120.309 124.810 -4.501 1
1 89 . 20 1 1 A 19 19 ILE H H 19 9.050 8.281 0.769 1
1 90 . 20 1 1 A 19 19 ILE HA H 19 5.704 4.164 1.540 1
1 100 . 20 1 1 A 19 19 ILE C C 19 175.890 175.717 0.173 1
1 101 . 20 1 1 A 19 19 ILE CA C 19 60.250 63.132 -2.882 1
1 102 . 20 1 1 A 19 19 ILE CB C 19 40.500 37.397 3.103 1
1 106 . 20 1 1 A 19 19 ILE N N 19 123.672 124.998 -1.326 1
1 107 . 20 1 1 A 20 20 THR H H 20 9.224 9.722 -0.498 1
1 108 . 20 1 1 A 20 20 THR HA H 20 4.970 5.404 -0.434 1
1 110 . 20 1 1 A 20 20 THR C C 20 172.920 174.196 -1.276 1
1 111 . 20 1 1 A 20 20 THR CA C 20 60.960 61.593 -0.633 1
1 112 . 20 1 1 A 20 20 THR CB C 20 71.732 71.293 0.439 1
1 114 . 20 1 1 A 20 20 THR N N 20 117.905 124.082 -6.177 1
1 115 . 20 1 1 A 21 21 HIS H H 21 9.755 9.193 0.562 1
1 116 . 20 1 1 A 21 21 HIS HA H 21 5.053 5.001 0.052 1
1 121 . 20 1 1 A 21 21 HIS C C 21 175.830 176.736 -0.906 1
1 122 . 20 1 1 A 21 21 HIS CA C 21 55.561 56.200 -0.639 1
1 123 . 20 1 1 A 21 21 HIS CB C 21 36.450 31.683 4.767 1
1 126 . 20 1 1 A 21 21 HIS N N 21 122.170 124.386 -2.216 1
1 127 . 20 1 1 A 22 22 ALA H H 22 9.098 8.815 0.283 1
1 128 . 20 1 1 A 22 22 ALA HA H 22 4.116 4.152 -0.036 1
1 132 . 20 1 1 A 22 22 ALA C C 22 178.340 179.535 -1.195 1
1 133 . 20 1 1 A 22 22 ALA CA C 22 54.670 55.094 -0.424 1
1 134 . 20 1 1 A 22 22 ALA CB C 22 20.870 18.403 2.467 1
1 135 . 20 1 1 A 22 22 ALA N N 22 128.332 124.978 3.354 1
1 136 . 20 1 1 A 23 23 ASN H H 23 10.395 8.312 2.083 1
1 137 . 20 1 1 A 23 23 ASN HA H 23 5.066 4.525 0.541 1
1 142 . 20 1 1 A 23 23 ASN C C 23 175.090 175.995 -0.905 1
1 143 . 20 1 1 A 23 23 ASN CA C 23 53.649 56.442 -2.793 1
1 144 . 20 1 1 A 23 23 ASN CB C 23 41.160 38.677 2.483 1
1 145 . 20 1 1 A 23 23 ASN N N 23 116.400 117.253 -0.853 1
1 147 . 20 1 1 A 24 24 LEU H H 24 7.752 7.974 -0.222 1
1 148 . 20 1 1 A 24 24 LEU HA H 24 4.637 4.514 0.123 1
1 157 . 20 1 1 A 24 24 LEU C C 24 176.810 177.126 -0.316 1
1 158 . 20 1 1 A 24 24 LEU CA C 24 53.380 54.880 -1.500 1
1 159 . 20 1 1 A 24 24 LEU CB C 24 41.630 40.605 1.025 1
1 162 . 20 1 1 A 24 24 LEU N N 24 122.870 118.848 4.022 1
1 163 . 20 1 1 A 25 25 LYS H H 25 8.491 8.558 -0.067 1
1 164 . 20 1 1 A 25 25 LYS HA H 25 4.196 4.085 0.111 1
1 171 . 20 1 1 A 25 25 LYS C C 25 177.530 177.537 -0.007 1
1 172 . 20 1 1 A 25 25 LYS CA C 25 59.270 59.573 -0.303 1
1 173 . 20 1 1 A 25 25 LYS CB C 25 32.300 32.419 -0.119 1
1 177 . 20 1 1 A 25 25 LYS N N 25 124.310 127.595 -3.285 1
1 178 . 20 1 1 A 26 26 SER H H 26 8.512 7.893 0.619 1
1 179 . 20 1 1 A 26 26 SER HA H 26 4.513 4.585 -0.072 1
1 182 . 20 1 1 A 26 26 SER C C 26 174.090 173.842 0.248 1
1 183 . 20 1 1 A 26 26 SER CA C 26 58.200 57.122 1.078 1
1 184 . 20 1 1 A 26 26 SER CB C 26 63.487 62.591 0.896 1
1 185 . 20 1 1 A 26 26 SER N N 26 111.482 114.574 -3.092 1
1 186 . 20 1 1 A 27 27 PHE H H 27 7.723 8.572 -0.849 1
1 187 . 20 1 1 A 27 27 PHE HA H 27 4.463 5.128 -0.665 1
1 194 . 20 1 1 A 27 27 PHE C C 27 175.270 173.944 1.326 1
1 195 . 20 1 1 A 27 27 PHE CA C 27 59.290 55.968 3.322 1
1 196 . 20 1 1 A 27 27 PHE CB C 27 40.440 40.727 -0.287 1
1 201 . 20 1 1 A 27 27 PHE N N 27 123.451 130.594 -7.143 1
1 202 . 20 1 1 A 28 28 SER H H 28 7.702 8.894 -1.192 1
1 203 . 20 1 1 A 28 28 SER HA H 28 4.630 4.629 0.001 1
1 206 . 20 1 1 A 28 28 SER C C 28 172.060 174.455 -2.395 1
1 207 . 20 1 1 A 28 28 SER CA C 28 57.700 58.111 -0.411 1
1 208 . 20 1 1 A 28 28 SER CB C 28 64.600 62.534 2.066 1
1 209 . 20 1 1 A 28 28 SER N N 28 123.039 124.041 -1.002 1
1 210 . 20 1 1 A 29 29 ALA H H 29 8.154 7.689 0.465 1
1 211 . 20 1 1 A 29 29 ALA HA H 29 4.655 4.468 0.187 1
1 215 . 20 1 1 A 29 29 ALA C C 29 174.090 177.001 -2.911 1
1 216 . 20 1 1 A 29 29 ALA CA C 29 51.300 50.739 0.561 1
1 217 . 20 1 1 A 29 29 ALA CB C 29 22.900 19.122 3.778 1
1 218 . 20 1 1 A 29 29 ALA N N 29 124.700 127.257 -2.557 1
1 219 . 20 1 1 A 30 30 ASP H H 30 8.395 7.488 0.907 1
1 220 . 20 1 1 A 30 30 ASP HA H 30 5.532 5.073 0.459 1
1 223 . 20 1 1 A 30 30 ASP C C 30 174.320 176.244 -1.924 1
1 224 . 20 1 1 A 30 30 ASP CA C 30 53.870 54.245 -0.375 1
1 225 . 20 1 1 A 30 30 ASP CB C 30 44.420 40.747 3.673 1
1 226 . 20 1 1 A 30 30 ASP N N 30 117.900 118.293 -0.393 1
1 227 . 20 1 1 A 31 31 ALA H H 31 8.866 8.892 -0.026 1
1 228 . 20 1 1 A 31 31 ALA HA H 31 4.554 4.909 -0.355 1
1 232 . 20 1 1 A 31 31 ALA C C 31 174.240 175.651 -1.411 1
1 233 . 20 1 1 A 31 31 ALA CA C 31 51.710 49.911 1.799 1
1 234 . 20 1 1 A 31 31 ALA CB C 31 22.710 21.934 0.776 1
1 235 . 20 1 1 A 31 31 ALA N N 31 121.463 125.605 -4.142 1
1 236 . 20 1 1 A 32 32 ARG H H 32 8.056 8.060 -0.004 1
1 237 . 20 1 1 A 32 32 ARG HA H 32 5.232 4.402 0.830 1
1 244 . 20 1 1 A 32 32 ARG C C 32 175.610 175.465 0.145 1
1 245 . 20 1 1 A 32 32 ARG CA C 32 54.780 55.638 -0.858 1
1 246 . 20 1 1 A 32 32 ARG CB C 32 31.840 29.794 2.046 1
1 249 . 20 1 1 A 32 32 ARG N N 32 119.065 120.824 -1.759 1
1 250 . 20 1 1 A 33 33 PHE H H 33 8.787 8.677 0.110 1
1 251 . 20 1 1 A 33 33 PHE HA H 33 4.900 4.939 -0.039 1
1 258 . 20 1 1 A 33 33 PHE C C 33 175.050 175.965 -0.915 1
1 259 . 20 1 1 A 33 33 PHE CA C 33 55.790 56.584 -0.794 1
1 260 . 20 1 1 A 33 33 PHE CB C 33 43.300 41.419 1.881 1
1 265 . 20 1 1 A 33 33 PHE N N 33 119.356 124.210 -4.854 1
1 266 . 20 1 1 A 34 34 SER H H 34 8.361 9.014 -0.653 1
1 267 . 20 1 1 A 34 34 SER HA H 34 4.910 4.768 0.142 1
1 268 . 20 1 1 A 34 34 SER CA C 34 55.270 57.379 -2.109 1
1 269 . 20 1 1 A 34 34 SER CB C 34 64.310 62.759 1.551 1
1 270 . 20 1 1 A 34 34 SER N N 34 118.000 119.370 -1.370 1
1 271 . 20 1 1 A 35 35 PRO HA H 35 4.183 4.524 -0.341 1
1 278 . 20 1 1 A 35 35 PRO C C 35 176.460 176.070 0.390 1
1 279 . 20 1 1 A 35 35 PRO CA C 35 64.120 63.819 0.301 1
1 280 . 20 1 1 A 35 35 PRO CB C 35 32.140 31.483 0.657 1
1 283 . 20 1 1 A 36 36 GLN H H 36 8.013 8.377 -0.364 1
1 284 . 20 1 1 A 36 36 GLN HA H 36 4.278 4.561 -0.283 1
1 291 . 20 1 1 A 36 36 GLN C C 36 176.630 174.820 1.810 1
1 292 . 20 1 1 A 36 36 GLN CA C 36 56.600 55.883 0.717 1
1 293 . 20 1 1 A 36 36 GLN CB C 36 29.380 29.495 -0.115 1
1 295 . 20 1 1 A 36 36 GLN N N 36 114.700 119.270 -4.570 1
1 297 . 20 1 1 A 37 37 MET H H 37 7.628 7.585 0.043 1
1 298 . 20 1 1 A 37 37 MET HA H 37 4.314 4.943 -0.629 1
1 303 . 20 1 1 A 37 37 MET C C 37 174.480 174.988 -0.508 1
1 304 . 20 1 1 A 37 37 MET CA C 37 56.260 53.847 2.413 1
1 305 . 20 1 1 A 37 37 MET CB C 37 34.890 34.682 0.208 1
1 307 . 20 1 1 A 37 37 MET N N 37 120.895 120.757 0.138 1
1 308 . 20 1 1 A 38 38 SER H H 38 8.740 9.041 -0.301 1
1 309 . 20 1 1 A 38 38 SER HA H 38 4.650 4.478 0.172 1
1 312 . 20 1 1 A 38 38 SER C C 38 175.320 175.303 0.017 1
1 313 . 20 1 1 A 38 38 SER CA C 38 57.555 58.345 -0.790 1
1 314 . 20 1 1 A 38 38 SER CB C 38 64.800 63.951 0.849 1
1 315 . 20 1 1 A 38 38 SER N N 38 119.800 123.785 -3.985 1
1 316 . 20 1 1 A 39 39 VAL H H 39 8.619 8.663 -0.044 1
1 317 . 20 1 1 A 39 39 VAL HA H 39 3.405 3.609 -0.204 1
1 325 . 20 1 1 A 39 39 VAL C C 39 177.950 177.911 0.039 1
1 326 . 20 1 1 A 39 39 VAL CA C 39 68.010 66.111 1.899 1
1 327 . 20 1 1 A 39 39 VAL CB C 39 31.830 31.406 0.424 1
1 330 . 20 1 1 A 39 39 VAL N N 39 122.324 123.789 -1.465 1
1 331 . 20 1 1 A 40 40 GLU H H 40 8.737 8.484 0.253 1
1 332 . 20 1 1 A 40 40 GLU HA H 40 3.743 3.876 -0.133 1
1 337 . 20 1 1 A 40 40 GLU C C 40 177.450 178.283 -0.833 1
1 338 . 20 1 1 A 40 40 GLU CA C 40 60.570 59.583 0.987 1
1 339 . 20 1 1 A 40 40 GLU CB C 40 30.000 29.585 0.415 1
1 341 . 20 1 1 A 40 40 GLU N N 40 120.358 121.273 -0.915 1
1 342 . 20 1 1 A 41 41 ALA H H 41 8.056 7.950 0.106 1
1 343 . 20 1 1 A 41 41 ALA HA H 41 4.275 4.184 0.091 1
1 347 . 20 1 1 A 41 41 ALA C C 41 181.560 179.726 1.834 1
1 348 . 20 1 1 A 41 41 ALA CA C 41 55.080 54.708 0.372 1
1 349 . 20 1 1 A 41 41 ALA CB C 41 18.570 18.471 0.099 1
1 350 . 20 1 1 A 41 41 ALA N N 41 123.045 121.896 1.149 1
1 351 . 20 1 1 A 42 42 VAL H H 42 8.519 7.549 0.970 1
1 352 . 20 1 1 A 42 42 VAL HA H 42 3.456 3.832 -0.376 1
1 360 . 20 1 1 A 42 42 VAL C C 42 177.950 177.708 0.242 1
1 361 . 20 1 1 A 42 42 VAL CA C 42 67.440 64.877 2.563 1
1 362 . 20 1 1 A 42 42 VAL CB C 42 31.370 31.305 0.065 1
1 365 . 20 1 1 A 42 42 VAL N N 42 122.576 117.535 5.041 1
1 366 . 20 1 1 A 43 43 LYS H H 43 8.660 7.851 0.809 1
1 367 . 20 1 1 A 43 43 LYS HA H 43 3.905 3.902 0.003 1
1 374 . 20 1 1 A 43 43 LYS C C 43 178.490 179.106 -0.616 1
1 375 . 20 1 1 A 43 43 LYS CA C 43 61.080 60.386 0.694 1
1 376 . 20 1 1 A 43 43 LYS CB C 43 33.450 32.025 1.425 1
1 380 . 20 1 1 A 43 43 LYS N N 43 118.752 122.377 -3.625 1
1 381 . 20 1 1 A 44 44 GLU H H 44 8.109 8.100 0.009 1
1 382 . 20 1 1 A 44 44 GLU HA H 44 4.100 4.278 -0.178 1
1 387 . 20 1 1 A 44 44 GLU C C 44 178.760 179.006 -0.246 1
1 388 . 20 1 1 A 44 44 GLU CA C 44 60.560 59.467 1.093 1
1 389 . 20 1 1 A 44 44 GLU CB C 44 29.700 29.292 0.408 1
1 391 . 20 1 1 A 44 44 GLU N N 44 118.904 120.071 -1.167 1
1 392 . 20 1 1 A 45 45 LYS H H 45 7.868 7.899 -0.031 1
1 393 . 20 1 1 A 45 45 LYS HA H 45 4.147 4.227 -0.080 1
1 400 . 20 1 1 A 45 45 LYS C C 45 180.020 179.116 0.904 1
1 401 . 20 1 1 A 45 45 LYS CA C 45 59.210 58.830 0.380 1
1 402 . 20 1 1 A 45 45 LYS CB C 45 32.540 31.953 0.587 1
1 406 . 20 1 1 A 45 45 LYS N N 45 118.353 119.847 -1.494 1
1 407 . 20 1 1 A 46 46 LEU H H 46 8.538 8.058 0.480 1
1 408 . 20 1 1 A 46 46 LEU HA H 46 4.147 4.220 -0.073 1
1 418 . 20 1 1 A 46 46 LEU C C 46 179.950 179.082 0.868 1
1 419 . 20 1 1 A 46 46 LEU CA C 46 57.900 57.282 0.618 1
1 420 . 20 1 1 A 46 46 LEU CB C 46 40.800 41.900 -1.100 1
1 424 . 20 1 1 A 46 46 LEU N N 46 118.568 119.364 -0.796 1
1 425 . 20 1 1 A 47 47 TRP H H 47 9.308 8.584 0.724 1
1 426 . 20 1 1 A 47 47 TRP HA H 47 4.636 4.143 0.493 1
1 435 . 20 1 1 A 47 47 TRP C C 47 179.040 177.444 1.596 1
1 436 . 20 1 1 A 47 47 TRP CA C 47 60.312 60.525 -0.213 1
1 437 . 20 1 1 A 47 47 TRP CB C 47 28.080 29.651 -1.571 1
1 443 . 20 1 1 A 47 47 TRP N N 47 127.808 121.359 6.449 1
1 445 . 20 1 1 A 48 48 LYS H H 48 7.362 8.304 -0.942 1
1 446 . 20 1 1 A 48 48 LYS HA H 48 3.238 4.159 -0.921 1
1 453 . 20 1 1 A 48 48 LYS C C 48 177.660 177.275 0.385 1
1 454 . 20 1 1 A 48 48 LYS CA C 48 58.360 56.552 1.808 1
1 455 . 20 1 1 A 48 48 LYS CB C 48 32.090 32.410 -0.320 1
1 459 . 20 1 1 A 48 48 LYS N N 48 118.583 118.313 0.270 1
1 460 . 20 1 1 A 49 49 LYS H H 49 7.339 8.134 -0.795 1
1 461 . 20 1 1 A 49 49 LYS HA H 49 4.388 4.290 0.098 1
1 468 . 20 1 1 A 49 49 LYS C C 49 177.120 178.184 -1.064 1
1 469 . 20 1 1 A 49 49 LYS CA C 49 57.469 58.249 -0.780 1
1 470 . 20 1 1 A 49 49 LYS CB C 49 33.990 33.269 0.721 1
1 474 . 20 1 1 A 49 49 LYS N N 49 114.530 120.104 -5.574 1
1 475 . 20 1 1 A 50 50 CYS H H 50 8.092 7.871 0.221 1
1 476 . 20 1 1 A 50 50 CYS HA H 50 4.880 4.528 0.352 1
1 479 . 20 1 1 A 50 50 CYS C C 50 174.560 175.110 -0.550 1
1 480 . 20 1 1 A 50 50 CYS CA C 50 57.213 59.600 -2.387 1
1 481 . 20 1 1 A 50 50 CYS CB C 50 31.470 29.351 2.119 1
1 482 . 20 1 1 A 50 50 CYS N N 50 110.536 115.412 -4.876 1
1 483 . 20 1 1 A 51 51 GLY H H 51 8.644 7.932 0.712 1
1 484 . 20 1 1 A 51 51 GLY HA2 H 51 4.248 3.708 0.540 1
1 485 . 20 1 1 A 51 51 GLY HA3 H 51 3.650 3.850 -0.200 1
1 486 . 20 1 1 A 51 51 GLY C C 51 173.800 174.607 -0.807 1
1 487 . 20 1 1 A 51 51 GLY CA C 51 46.390 46.336 0.054 1
1 488 . 20 1 1 A 51 51 GLY N N 51 113.666 110.170 3.496 1
1 489 . 20 1 1 A 52 52 THR H H 52 7.781 7.803 -0.022 1
1 490 . 20 1 1 A 52 52 THR HA H 52 4.277 4.524 -0.247 1
1 495 . 20 1 1 A 52 52 THR C C 52 172.080 173.765 -1.685 1
1 496 . 20 1 1 A 52 52 THR CA C 52 63.630 61.839 1.791 1
1 497 . 20 1 1 A 52 52 THR CB C 52 69.720 70.839 -1.119 1
1 499 . 20 1 1 A 52 52 THR N N 52 121.643 116.354 5.289 1
1 500 . 20 1 1 A 53 53 SER H H 53 8.606 8.865 -0.259 1
1 501 . 20 1 1 A 53 53 SER HA H 53 3.775 4.655 -0.880 1
1 504 . 20 1 1 A 53 53 SER C C 53 175.890 176.026 -0.136 1
1 505 . 20 1 1 A 53 53 SER CA C 53 58.590 59.697 -1.107 1
1 506 . 20 1 1 A 53 53 SER CB C 53 63.620 63.227 0.393 1
1 507 . 20 1 1 A 53 53 SER N N 53 120.903 121.986 -1.083 1
1 508 . 20 1 1 A 54 54 VAL H H 54 7.895 8.695 -0.800 1
1 509 . 20 1 1 A 54 54 VAL HA H 54 3.563 3.989 -0.426 1
1 517 . 20 1 1 A 54 54 VAL C C 54 178.260 177.429 0.831 1
1 518 . 20 1 1 A 54 54 VAL CA C 54 66.600 63.794 2.806 1
1 519 . 20 1 1 A 54 54 VAL CB C 54 31.630 31.654 -0.024 1
1 522 . 20 1 1 A 54 54 VAL N N 54 121.121 124.542 -3.421 1
1 523 . 20 1 1 A 55 55 ASN H H 55 8.148 8.170 -0.022 1
1 524 . 20 1 1 A 55 55 ASN HA H 55 4.496 4.512 -0.016 1
1 529 . 20 1 1 A 55 55 ASN C C 55 175.640 176.353 -0.713 1
1 530 . 20 1 1 A 55 55 ASN CA C 55 54.875 55.300 -0.425 1
1 531 . 20 1 1 A 55 55 ASN CB C 55 38.120 38.578 -0.458 1
1 532 . 20 1 1 A 55 55 ASN N N 55 115.018 121.472 -6.454 1
1 534 . 20 1 1 A 56 56 SER H H 56 7.559 7.822 -0.263 1
1 535 . 20 1 1 A 56 56 SER HA H 56 4.585 4.596 -0.011 1
1 538 . 20 1 1 A 56 56 SER C C 56 171.180 174.024 -2.844 1
1 539 . 20 1 1 A 56 56 SER CA C 56 57.260 58.590 -1.330 1
1 540 . 20 1 1 A 56 56 SER CB C 56 64.260 63.936 0.324 1
1 541 . 20 1 1 A 56 56 SER N N 56 114.545 113.197 1.348 1
1 542 . 20 1 1 A 57 57 MET H H 57 7.177 7.581 -0.404 1
1 543 . 20 1 1 A 57 57 MET HA H 57 4.785 5.265 -0.480 1
1 548 . 20 1 1 A 57 57 MET C C 57 175.400 174.393 1.007 1
1 549 . 20 1 1 A 57 57 MET CA C 57 55.631 54.358 1.273 1
1 550 . 20 1 1 A 57 57 MET CB C 57 36.740 35.191 1.549 1
1 552 . 20 1 1 A 57 57 MET N N 57 120.883 119.749 1.134 1
1 553 . 20 1 1 A 58 58 ALA H H 58 9.226 8.815 0.411 1
1 554 . 20 1 1 A 58 58 ALA HA H 58 4.723 5.228 -0.505 1
1 558 . 20 1 1 A 58 58 ALA C C 58 175.360 175.861 -0.501 1
1 559 . 20 1 1 A 58 58 ALA CA C 58 50.327 49.797 0.530 1
1 560 . 20 1 1 A 58 58 ALA CB C 58 21.580 22.239 -0.659 1
1 561 . 20 1 1 A 58 58 ALA N N 58 129.559 130.117 -0.558 1
1 562 . 20 1 1 A 59 59 LEU H H 59 8.307 8.793 -0.486 1
1 563 . 20 1 1 A 59 59 LEU HA H 59 5.393 4.819 0.574 1
1 573 . 20 1 1 A 59 59 LEU C C 59 175.470 175.542 -0.072 1
1 574 . 20 1 1 A 59 59 LEU CA C 59 52.970 53.909 -0.939 1
1 575 . 20 1 1 A 59 59 LEU CB C 59 47.410 42.668 4.742 1
1 579 . 20 1 1 A 59 59 LEU N N 59 118.793 121.510 -2.717 1
1 580 . 20 1 1 A 60 60 GLU H H 60 8.978 9.189 -0.211 1
1 581 . 20 1 1 A 60 60 GLU HA H 60 4.789 4.673 0.116 1
1 586 . 20 1 1 A 60 60 GLU C C 60 173.670 175.195 -1.525 1
1 587 . 20 1 1 A 60 60 GLU CA C 60 54.246 56.081 -1.835 1
1 588 . 20 1 1 A 60 60 GLU CB C 60 35.470 30.951 4.519 1
1 590 . 20 1 1 A 60 60 GLU N N 60 121.100 125.768 -4.668 1
1 591 . 20 1 1 A 61 61 LEU H H 61 8.651 8.667 -0.016 1
1 592 . 20 1 1 A 61 61 LEU HA H 61 5.541 5.119 0.422 1
1 602 . 20 1 1 A 61 61 LEU C C 61 174.270 174.792 -0.522 1
1 603 . 20 1 1 A 61 61 LEU CA C 61 53.120 53.940 -0.820 1
1 604 . 20 1 1 A 61 61 LEU CB C 61 46.890 44.616 2.274 1
1 608 . 20 1 1 A 61 61 LEU N N 61 122.689 125.660 -2.971 1
1 609 . 20 1 1 A 62 62 TYR H H 62 10.028 8.666 1.362 1
1 610 . 20 1 1 A 62 62 TYR HA H 62 5.096 5.134 -0.038 1
1 617 . 20 1 1 A 62 62 TYR C C 62 175.180 175.452 -0.272 1
1 618 . 20 1 1 A 62 62 TYR CA C 62 56.520 57.935 -1.415 1
1 619 . 20 1 1 A 62 62 TYR CB C 62 42.520 39.801 2.719 1
1 624 . 20 1 1 A 62 62 TYR N N 62 126.875 127.406 -0.531 1
1 625 . 20 1 1 A 63 63 ASP H H 63 8.573 8.955 -0.382 1
1 626 . 20 1 1 A 63 63 ASP HA H 63 2.824 5.298 -2.474 1
1 629 . 20 1 1 A 63 63 ASP C C 63 176.470 176.130 0.340 1
1 630 . 20 1 1 A 63 63 ASP CA C 63 51.490 52.274 -0.784 1
1 631 . 20 1 1 A 63 63 ASP CB C 63 41.490 44.113 -2.623 1
1 632 . 20 1 1 A 63 63 ASP N N 63 118.563 120.991 -2.428 1
1 633 . 20 1 1 A 64 64 ASP H H 64 8.319 8.493 -0.174 1
1 634 . 20 1 1 A 64 64 ASP HA H 64 4.396 4.781 -0.385 1
1 637 . 20 1 1 A 64 64 ASP C C 64 176.670 176.274 0.396 1
1 638 . 20 1 1 A 64 64 ASP CA C 64 55.270 54.390 0.880 1
1 639 . 20 1 1 A 64 64 ASP CB C 64 39.540 40.912 -1.372 1
1 640 . 20 1 1 A 64 64 ASP N N 64 114.728 120.018 -5.290 1
1 641 . 20 1 1 A 65 65 SER H H 65 8.305 8.370 -0.065 1
1 642 . 20 1 1 A 65 65 SER HA H 65 4.640 4.686 -0.046 1
1 645 . 20 1 1 A 65 65 SER C C 65 174.700 175.803 -1.103 1
1 646 . 20 1 1 A 65 65 SER CA C 65 58.550 59.440 -0.890 1
1 647 . 20 1 1 A 65 65 SER CB C 65 64.393 65.105 -0.712 1
1 648 . 20 1 1 A 65 65 SER N N 65 115.837 115.534 0.303 1
1 649 . 20 1 1 A 66 66 GLY H H 66 7.876 8.919 -1.043 1
1 650 . 20 1 1 A 66 66 GLY HA2 H 66 4.284 3.816 0.468 1
1 651 . 20 1 1 A 66 66 GLY HA3 H 66 3.679 3.835 -0.156 1
1 652 . 20 1 1 A 66 66 GLY C C 66 174.550 174.893 -0.343 1
1 653 . 20 1 1 A 66 66 GLY CA C 66 45.570 46.614 -1.044 1
1 654 . 20 1 1 A 66 66 GLY N N 66 109.151 109.654 -0.503 1
1 655 . 20 1 1 A 67 67 SER H H 67 8.416 7.967 0.449 1
1 656 . 20 1 1 A 67 67 SER HA H 67 4.583 4.781 -0.198 1
1 659 . 20 1 1 A 67 67 SER C C 67 173.680 173.426 0.254 1
1 660 . 20 1 1 A 67 67 SER CA C 67 58.070 59.105 -1.035 1
1 661 . 20 1 1 A 67 67 SER CB C 67 63.300 65.234 -1.934 1
1 662 . 20 1 1 A 67 67 SER N N 67 119.156 112.107 7.049 1
1 663 . 20 1 1 A 68 68 LYS H H 68 8.880 7.752 1.128 1
1 664 . 20 1 1 A 68 68 LYS HA H 68 3.233 4.912 -1.679 1
1 671 . 20 1 1 A 68 68 LYS C C 68 176.440 174.934 1.506 1
1 672 . 20 1 1 A 68 68 LYS CA C 68 57.920 55.130 2.790 1
1 673 . 20 1 1 A 68 68 LYS CB C 68 31.822 34.362 -2.540 1
1 677 . 20 1 1 A 68 68 LYS N N 68 128.005 117.889 10.116 1
1 678 . 20 1 1 A 69 69 VAL H H 69 9.215 8.782 0.433 1
1 679 . 20 1 1 A 69 69 VAL HA H 69 4.185 5.021 -0.836 1
1 687 . 20 1 1 A 69 69 VAL C C 69 176.170 174.382 1.788 1
1 688 . 20 1 1 A 69 69 VAL CA C 69 62.860 60.760 2.100 1
1 689 . 20 1 1 A 69 69 VAL CB C 69 33.660 33.599 0.061 1
1 692 . 20 1 1 A 69 69 VAL N N 69 126.574 119.252 7.322 1
1 693 . 20 1 1 A 70 70 ALA H H 70 7.647 8.664 -1.017 1
1 694 . 20 1 1 A 70 70 ALA HA H 70 4.614 4.681 -0.067 1
1 698 . 20 1 1 A 70 70 ALA C C 70 175.170 177.455 -2.285 1
1 699 . 20 1 1 A 70 70 ALA CA C 70 52.400 50.415 1.985 1
1 700 . 20 1 1 A 70 70 ALA CB C 70 23.350 20.540 2.810 1
1 701 . 20 1 1 A 70 70 ALA N N 70 118.268 130.216 -11.948 1
1 702 . 20 1 1 A 71 71 VAL H H 71 8.428 8.573 -0.145 1
1 703 . 20 1 1 A 71 71 VAL HA H 71 4.216 3.600 0.616 1
1 711 . 20 1 1 A 71 71 VAL C C 71 175.810 176.036 -0.226 1
1 712 . 20 1 1 A 71 71 VAL CA C 71 62.380 66.352 -3.972 1
1 713 . 20 1 1 A 71 71 VAL CB C 71 33.120 31.723 1.397 1
1 716 . 20 1 1 A 71 71 VAL N N 71 119.624 124.485 -4.861 1
1 717 . 20 1 1 A 72 72 LEU H H 72 8.333 7.871 0.462 1
1 718 . 20 1 1 A 72 72 LEU HA H 72 3.882 3.851 0.031 1
1 728 . 20 1 1 A 72 72 LEU C C 72 176.580 176.433 0.147 1
1 729 . 20 1 1 A 72 72 LEU CA C 72 54.600 56.277 -1.677 1
1 730 . 20 1 1 A 72 72 LEU CB C 72 37.880 42.016 -4.136 1
1 734 . 20 1 1 A 72 72 LEU N N 72 130.241 122.547 7.694 1
1 735 . 20 1 1 A 73 73 SER H H 73 7.865 7.814 0.051 1
1 736 . 20 1 1 A 73 73 SER HA H 73 4.304 4.414 -0.110 1
1 739 . 20 1 1 A 73 73 SER C C 73 173.470 174.792 -1.322 1
1 740 . 20 1 1 A 73 73 SER CA C 73 59.400 58.242 1.158 1
1 741 . 20 1 1 A 73 73 SER CB C 73 64.230 63.674 0.556 1
1 742 . 20 1 1 A 73 73 SER N N 73 116.577 114.701 1.876 1
1 743 . 20 1 1 A 74 74 ASP H H 74 7.553 7.860 -0.307 1
1 744 . 20 1 1 A 74 74 ASP HA H 74 4.858 4.394 0.464 1
1 747 . 20 1 1 A 74 74 ASP C C 74 175.910 178.567 -2.657 1
1 748 . 20 1 1 A 74 74 ASP CA C 74 53.057 54.643 -1.586 1
1 749 . 20 1 1 A 74 74 ASP CB C 74 41.720 40.774 0.946 1
1 750 . 20 1 1 A 74 74 ASP N N 74 120.482 118.752 1.730 1
1 751 . 20 1 1 A 75 75 ASP H H 75 8.601 8.564 0.037 1
1 752 . 20 1 1 A 75 75 ASP HA H 75 4.375 4.288 0.087 1
1 755 . 20 1 1 A 75 75 ASP C C 75 176.590 177.022 -0.432 1
1 756 . 20 1 1 A 75 75 ASP CA C 75 56.760 56.454 0.306 1
1 757 . 20 1 1 A 75 75 ASP CB C 75 41.310 39.397 1.913 1
1 758 . 20 1 1 A 75 75 ASP N N 75 125.434 120.805 4.629 1
1 759 . 20 1 1 A 76 76 SER H H 76 8.558 7.778 0.780 1
1 760 . 20 1 1 A 76 76 SER HA H 76 4.463 4.480 -0.017 1
1 763 . 20 1 1 A 76 76 SER C C 76 175.630 173.499 2.131 1
1 764 . 20 1 1 A 76 76 SER CA C 76 59.320 57.976 1.344 1
1 765 . 20 1 1 A 76 76 SER CB C 76 64.255 63.998 0.257 1
1 766 . 20 1 1 A 76 76 SER N N 76 112.502 109.759 2.743 1
1 767 . 20 1 1 A 77 77 ARG H H 77 7.381 7.403 -0.022 1
1 768 . 20 1 1 A 77 77 ARG HA H 77 4.318 4.728 -0.410 1
1 775 . 20 1 1 A 77 77 ARG CA C 77 53.260 52.915 0.345 1
1 776 . 20 1 1 A 77 77 ARG CB C 77 30.880 31.348 -0.468 1
1 779 . 20 1 1 A 77 77 ARG N N 77 123.368 121.020 2.348 1
1 780 . 20 1 1 A 78 78 PRO HA H 78 4.697 4.548 0.149 1
1 787 . 20 1 1 A 78 78 PRO C C 78 178.090 177.816 0.274 1
1 788 . 20 1 1 A 78 78 PRO CA C 78 61.970 63.169 -1.199 1
1 789 . 20 1 1 A 78 78 PRO CB C 78 31.380 31.811 -0.431 1
1 792 . 20 1 1 A 79 79 LEU H H 79 9.260 8.935 0.325 1
1 793 . 20 1 1 A 79 79 LEU HA H 79 4.099 4.180 -0.081 1
1 803 . 20 1 1 A 79 79 LEU C C 79 178.680 179.183 -0.503 1
1 804 . 20 1 1 A 79 79 LEU CA C 79 58.290 57.672 0.618 1
1 805 . 20 1 1 A 79 79 LEU CB C 79 42.160 41.925 0.235 1
1 809 . 20 1 1 A 79 79 LEU N N 79 124.739 126.464 -1.725 1
1 810 . 20 1 1 A 80 80 GLY H H 80 9.611 8.363 1.248 1
1 811 . 20 1 1 A 80 80 GLY HA2 H 80 4.003 3.946 0.057 1
1 812 . 20 1 1 A 80 80 GLY HA3 H 80 3.683 3.958 -0.275 1
1 813 . 20 1 1 A 80 80 GLY C C 80 175.850 175.633 0.217 1
1 814 . 20 1 1 A 80 80 GLY CA C 80 46.830 46.364 0.466 1
1 815 . 20 1 1 A 80 80 GLY N N 80 102.276 106.647 -4.371 1
1 816 . 20 1 1 A 81 81 PHE H H 81 8.177 8.541 -0.364 1
1 817 . 20 1 1 A 81 81 PHE HA H 81 4.090 4.172 -0.082 1
1 822 . 20 1 1 A 81 81 PHE C C 81 175.810 177.638 -1.828 1
1 823 . 20 1 1 A 81 81 PHE CA C 81 60.560 60.884 -0.324 1
1 824 . 20 1 1 A 81 81 PHE CB C 81 39.640 39.384 0.256 1
1 827 . 20 1 1 A 81 81 PHE N N 81 123.413 122.389 1.024 1
1 828 . 20 1 1 A 82 82 PHE H H 82 7.733 8.296 -0.563 1
1 829 . 20 1 1 A 82 82 PHE HA H 82 4.171 4.046 0.125 1
1 834 . 20 1 1 A 82 82 PHE C C 82 172.960 175.422 -2.462 1
1 835 . 20 1 1 A 82 82 PHE CA C 82 57.730 61.376 -3.646 1
1 836 . 20 1 1 A 82 82 PHE CB C 82 38.670 39.238 -0.568 1
1 839 . 20 1 1 A 82 82 PHE N N 82 114.781 120.267 -5.486 1
1 840 . 20 1 1 A 83 83 SER H H 83 7.541 8.414 -0.873 1
1 841 . 20 1 1 A 83 83 SER HA H 83 3.898 4.080 -0.182 1
1 844 . 20 1 1 A 83 83 SER CA C 83 57.980 59.001 -1.021 1
1 845 . 20 1 1 A 83 83 SER CB C 83 61.882 61.465 0.417 1
1 846 . 20 1 1 A 83 83 SER N N 83 108.622 113.893 -5.271 1
1 847 . 20 1 1 A 85 85 PHE HA H 85 4.447 5.039 -0.592 1
1 854 . 20 1 1 A 85 85 PHE C C 85 173.640 176.633 -2.993 1
1 855 . 20 1 1 A 85 85 PHE CA C 85 55.600 57.548 -1.948 1
1 856 . 20 1 1 A 85 85 PHE CB C 85 42.180 40.579 1.601 1
1 861 . 20 1 1 A 86 86 ASP H H 86 8.469 8.808 -0.339 1
1 862 . 20 1 1 A 86 86 ASP HA H 86 4.934 4.918 0.016 1
1 865 . 20 1 1 A 86 86 ASP C C 86 177.910 176.940 0.970 1
1 866 . 20 1 1 A 86 86 ASP CA C 86 55.927 54.416 1.511 1
1 867 . 20 1 1 A 86 86 ASP CB C 86 41.109 41.223 -0.114 1
1 868 . 20 1 1 A 86 86 ASP N N 86 119.276 119.463 -0.187 1
1 869 . 20 1 1 A 87 87 GLY H H 87 9.163 8.154 1.009 1
1 870 . 20 1 1 A 87 87 GLY HA2 H 87 4.570 3.797 0.773 1
1 871 . 20 1 1 A 87 87 GLY HA3 H 87 3.701 3.957 -0.256 1
1 872 . 20 1 1 A 87 87 GLY C C 87 175.180 173.231 1.949 1
1 873 . 20 1 1 A 87 87 GLY CA C 87 45.540 47.015 -1.475 1
1 874 . 20 1 1 A 87 87 GLY N N 87 109.579 107.281 2.298 1
1 875 . 20 1 1 A 88 88 PHE H H 88 8.270 8.068 0.202 1
1 876 . 20 1 1 A 88 88 PHE HA H 88 4.653 5.223 -0.570 1
1 883 . 20 1 1 A 88 88 PHE C C 88 172.620 174.558 -1.938 1
1 884 . 20 1 1 A 88 88 PHE CA C 88 57.570 56.597 0.973 1
1 885 . 20 1 1 A 88 88 PHE CB C 88 38.750 43.597 -4.847 1
1 890 . 20 1 1 A 88 88 PHE N N 88 121.300 120.350 0.950 1
1 891 . 20 1 1 A 89 89 ARG H H 89 9.056 9.077 -0.021 1
1 892 . 20 1 1 A 89 89 ARG HA H 89 5.652 5.072 0.580 1
1 899 . 20 1 1 A 89 89 ARG C C 89 174.990 175.581 -0.591 1
1 900 . 20 1 1 A 89 89 ARG CA C 89 54.067 55.328 -1.261 1
1 901 . 20 1 1 A 89 89 ARG CB C 89 35.630 32.194 3.436 1
1 904 . 20 1 1 A 89 89 ARG N N 89 120.200 122.427 -2.227 1
1 905 . 20 1 1 A 90 90 LEU H H 90 9.487 9.162 0.325 1
1 906 . 20 1 1 A 90 90 LEU HA H 90 5.244 4.760 0.484 1
1 916 . 20 1 1 A 90 90 LEU C C 90 173.050 175.341 -2.291 1
1 917 . 20 1 1 A 90 90 LEU CA C 90 53.250 54.592 -1.342 1
1 918 . 20 1 1 A 90 90 LEU CB C 90 44.870 40.945 3.925 1
1 922 . 20 1 1 A 90 90 LEU N N 90 128.373 126.372 2.001 1
1 923 . 20 1 1 A 91 91 HIS H H 91 9.474 9.492 -0.018 1
1 924 . 20 1 1 A 91 91 HIS HA H 91 5.357 4.938 0.419 1
1 929 . 20 1 1 A 91 91 HIS C C 91 173.870 173.617 0.253 1
1 930 . 20 1 1 A 91 91 HIS CA C 91 54.320 54.365 -0.045 1
1 931 . 20 1 1 A 91 91 HIS CB C 91 36.070 29.909 6.161 1
1 934 . 20 1 1 A 91 91 HIS N N 91 125.565 125.385 0.180 1
1 935 . 20 1 1 A 92 92 ILE H H 92 8.341 8.890 -0.549 1
1 936 . 20 1 1 A 92 92 ILE HA H 92 4.045 4.001 0.044 1
1 946 . 20 1 1 A 92 92 ILE C C 92 173.350 175.340 -1.990 1
1 947 . 20 1 1 A 92 92 ILE CA C 92 61.380 62.483 -1.103 1
1 948 . 20 1 1 A 92 92 ILE CB C 92 40.040 37.368 2.672 1
1 952 . 20 1 1 A 92 92 ILE N N 92 126.939 128.676 -1.737 1
1 953 . 20 1 1 A 93 93 ILE H H 93 8.754 9.533 -0.779 1
1 954 . 20 1 1 A 93 93 ILE HA H 93 3.744 4.341 -0.597 1
1 964 . 20 1 1 A 93 93 ILE C C 93 174.450 174.159 0.291 1
1 965 . 20 1 1 A 93 93 ILE CA C 93 60.480 60.427 0.053 1
1 966 . 20 1 1 A 93 93 ILE CB C 93 41.250 37.130 4.120 1
1 970 . 20 1 1 A 93 93 ILE N N 93 126.486 129.305 -2.819 1
1 971 . 20 1 1 A 94 94 ASP H H 94 7.976 8.356 -0.380 1
1 972 . 20 1 1 A 94 94 ASP HA H 94 4.881 5.026 -0.145 1
1 975 . 20 1 1 A 94 94 ASP C C 94 176.710 175.975 0.735 1
1 976 . 20 1 1 A 94 94 ASP CA C 94 52.170 52.925 -0.755 1
1 977 . 20 1 1 A 94 94 ASP CB C 94 42.000 41.206 0.794 1
1 978 . 20 1 1 A 94 94 ASP N N 94 124.752 127.508 -2.756 1
1 979 . 20 1 1 A 95 95 LEU H H 95 9.218 8.210 1.008 1
1 980 . 20 1 1 A 95 95 LEU HA H 95 4.111 4.140 -0.029 1
1 990 . 20 1 1 A 95 95 LEU C C 95 177.230 176.475 0.755 1
1 991 . 20 1 1 A 95 95 LEU CA C 95 55.553 57.395 -1.842 1
1 992 . 20 1 1 A 95 95 LEU CB C 95 42.380 42.094 0.286 1
1 996 . 20 1 1 A 95 95 LEU N N 95 126.286 125.916 0.370 1
1 997 . 20 1 1 A 96 96 ASP H H 96 8.762 7.863 0.899 1
1 998 . 20 1 1 A 96 96 ASP HA H 96 4.946 5.042 -0.096 1
1 1001 . 20 1 1 A 96 96 ASP CA C 96 52.598 51.166 1.432 1
1 1002 . 20 1 1 A 96 96 ASP CB C 96 41.400 43.215 -1.815 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 81 1.204 1
2 1 1 1 "RMS(OBS, PRED)" CA 86 1.408 1
3 1 1 1 "RMS(OBS, PRED)" CB 81 2.317 1
4 1 1 1 "RMS(OBS, PRED)" H 82 0.690 1
5 1 1 1 "RMS(OBS, PRED)" HA 91 0.508 1
6 1 1 1 "RMS(OBS, PRED)" N 81 3.770 1
7 1 2 1 "RMS(OBS, PRED)" C 81 1.287 1
8 1 2 1 "RMS(OBS, PRED)" CA 86 1.399 1
9 1 2 1 "RMS(OBS, PRED)" CB 81 2.177 1
10 1 2 1 "RMS(OBS, PRED)" H 82 0.647 1
11 1 2 1 "RMS(OBS, PRED)" HA 91 0.508 1
12 1 2 1 "RMS(OBS, PRED)" N 81 4.173 1
13 1 3 1 "RMS(OBS, PRED)" C 81 1.201 1
14 1 3 1 "RMS(OBS, PRED)" CA 86 1.338 1
15 1 3 1 "RMS(OBS, PRED)" CB 81 2.122 1
16 1 3 1 "RMS(OBS, PRED)" H 82 0.607 1
17 1 3 1 "RMS(OBS, PRED)" HA 91 0.473 1
18 1 3 1 "RMS(OBS, PRED)" N 81 3.710 1
19 1 4 1 "RMS(OBS, PRED)" C 81 1.267 1
20 1 4 1 "RMS(OBS, PRED)" CA 86 1.508 1
21 1 4 1 "RMS(OBS, PRED)" CB 81 2.250 1
22 1 4 1 "RMS(OBS, PRED)" H 82 0.628 1
23 1 4 1 "RMS(OBS, PRED)" HA 91 0.512 1
24 1 4 1 "RMS(OBS, PRED)" N 81 3.556 1
25 1 5 1 "RMS(OBS, PRED)" C 81 1.131 1
26 1 5 1 "RMS(OBS, PRED)" CA 86 1.347 1
27 1 5 1 "RMS(OBS, PRED)" CB 81 2.096 1
28 1 5 1 "RMS(OBS, PRED)" H 82 0.606 1
29 1 5 1 "RMS(OBS, PRED)" HA 91 0.460 1
30 1 5 1 "RMS(OBS, PRED)" N 81 3.812 1
31 1 6 1 "RMS(OBS, PRED)" C 81 1.161 1
32 1 6 1 "RMS(OBS, PRED)" CA 86 1.547 1
33 1 6 1 "RMS(OBS, PRED)" CB 81 2.214 1
34 1 6 1 "RMS(OBS, PRED)" H 82 0.616 1
35 1 6 1 "RMS(OBS, PRED)" HA 91 0.471 1
36 1 6 1 "RMS(OBS, PRED)" N 81 3.655 1
37 1 7 1 "RMS(OBS, PRED)" C 81 1.130 1
38 1 7 1 "RMS(OBS, PRED)" CA 86 1.551 1
39 1 7 1 "RMS(OBS, PRED)" CB 81 2.187 1
40 1 7 1 "RMS(OBS, PRED)" H 82 0.612 1
41 1 7 1 "RMS(OBS, PRED)" HA 91 0.447 1
42 1 7 1 "RMS(OBS, PRED)" N 81 3.402 1
43 1 8 1 "RMS(OBS, PRED)" C 81 1.111 1
44 1 8 1 "RMS(OBS, PRED)" CA 86 1.306 1
45 1 8 1 "RMS(OBS, PRED)" CB 81 1.911 1
46 1 8 1 "RMS(OBS, PRED)" H 82 0.536 1
47 1 8 1 "RMS(OBS, PRED)" HA 91 0.490 1
48 1 8 1 "RMS(OBS, PRED)" N 81 3.690 1
49 1 9 1 "RMS(OBS, PRED)" C 81 1.248 1
50 1 9 1 "RMS(OBS, PRED)" CA 86 1.497 1
51 1 9 1 "RMS(OBS, PRED)" CB 81 2.254 1
52 1 9 1 "RMS(OBS, PRED)" H 82 0.640 1
53 1 9 1 "RMS(OBS, PRED)" HA 91 0.463 1
54 1 9 1 "RMS(OBS, PRED)" N 81 3.960 1
55 1 10 1 "RMS(OBS, PRED)" C 81 1.272 1
56 1 10 1 "RMS(OBS, PRED)" CA 86 1.371 1
57 1 10 1 "RMS(OBS, PRED)" CB 81 2.226 1
58 1 10 1 "RMS(OBS, PRED)" H 82 0.654 1
59 1 10 1 "RMS(OBS, PRED)" HA 91 0.461 1
60 1 10 1 "RMS(OBS, PRED)" N 81 3.993 1
61 1 11 1 "RMS(OBS, PRED)" C 81 1.347 1
62 1 11 1 "RMS(OBS, PRED)" CA 86 1.500 1
63 1 11 1 "RMS(OBS, PRED)" CB 81 2.315 1
64 1 11 1 "RMS(OBS, PRED)" H 82 0.621 1
65 1 11 1 "RMS(OBS, PRED)" HA 91 0.512 1
66 1 11 1 "RMS(OBS, PRED)" N 81 4.194 1
67 1 12 1 "RMS(OBS, PRED)" C 81 1.217 1
68 1 12 1 "RMS(OBS, PRED)" CA 86 1.430 1
69 1 12 1 "RMS(OBS, PRED)" CB 81 2.095 1
70 1 12 1 "RMS(OBS, PRED)" H 82 0.665 1
71 1 12 1 "RMS(OBS, PRED)" HA 91 0.474 1
72 1 12 1 "RMS(OBS, PRED)" N 81 3.765 1
73 1 13 1 "RMS(OBS, PRED)" C 81 1.220 1
74 1 13 1 "RMS(OBS, PRED)" CA 86 1.336 1
75 1 13 1 "RMS(OBS, PRED)" CB 81 2.245 1
76 1 13 1 "RMS(OBS, PRED)" H 82 0.622 1
77 1 13 1 "RMS(OBS, PRED)" HA 91 0.474 1
78 1 13 1 "RMS(OBS, PRED)" N 81 3.840 1
79 1 14 1 "RMS(OBS, PRED)" C 81 1.270 1
80 1 14 1 "RMS(OBS, PRED)" CA 86 1.479 1
81 1 14 1 "RMS(OBS, PRED)" CB 81 2.268 1
82 1 14 1 "RMS(OBS, PRED)" H 82 0.657 1
83 1 14 1 "RMS(OBS, PRED)" HA 91 0.492 1
84 1 14 1 "RMS(OBS, PRED)" N 81 4.288 1
85 1 15 1 "RMS(OBS, PRED)" C 81 1.181 1
86 1 15 1 "RMS(OBS, PRED)" CA 86 1.628 1
87 1 15 1 "RMS(OBS, PRED)" CB 81 2.328 1
88 1 15 1 "RMS(OBS, PRED)" H 82 0.619 1
89 1 15 1 "RMS(OBS, PRED)" HA 91 0.451 1
90 1 15 1 "RMS(OBS, PRED)" N 81 3.658 1
91 1 16 1 "RMS(OBS, PRED)" C 81 1.319 1
92 1 16 1 "RMS(OBS, PRED)" CA 86 1.498 1
93 1 16 1 "RMS(OBS, PRED)" CB 81 2.248 1
94 1 16 1 "RMS(OBS, PRED)" H 82 0.688 1
95 1 16 1 "RMS(OBS, PRED)" HA 91 0.475 1
96 1 16 1 "RMS(OBS, PRED)" N 81 3.866 1
97 1 17 1 "RMS(OBS, PRED)" C 81 1.223 1
98 1 17 1 "RMS(OBS, PRED)" CA 86 1.459 1
99 1 17 1 "RMS(OBS, PRED)" CB 81 2.407 1
100 1 17 1 "RMS(OBS, PRED)" H 82 0.656 1
101 1 17 1 "RMS(OBS, PRED)" HA 91 0.425 1
102 1 17 1 "RMS(OBS, PRED)" N 81 4.009 1
103 1 18 1 "RMS(OBS, PRED)" C 81 1.349 1
104 1 18 1 "RMS(OBS, PRED)" CA 86 1.518 1
105 1 18 1 "RMS(OBS, PRED)" CB 81 2.341 1
106 1 18 1 "RMS(OBS, PRED)" H 82 0.617 1
107 1 18 1 "RMS(OBS, PRED)" HA 91 0.471 1
108 1 18 1 "RMS(OBS, PRED)" N 81 4.341 1
109 1 19 1 "RMS(OBS, PRED)" C 81 1.183 1
110 1 19 1 "RMS(OBS, PRED)" CA 86 1.360 1
111 1 19 1 "RMS(OBS, PRED)" CB 81 2.111 1
112 1 19 1 "RMS(OBS, PRED)" H 82 0.659 1
113 1 19 1 "RMS(OBS, PRED)" HA 91 0.486 1
114 1 19 1 "RMS(OBS, PRED)" N 81 3.707 1
115 1 20 1 "RMS(OBS, PRED)" C 81 1.248 1
116 1 20 1 "RMS(OBS, PRED)" CA 86 1.484 1
117 1 20 1 "RMS(OBS, PRED)" CB 81 2.195 1
118 1 20 1 "RMS(OBS, PRED)" H 82 0.620 1
119 1 20 1 "RMS(OBS, PRED)" HA 91 0.506 1
120 1 20 1 "RMS(OBS, PRED)" N 81 3.894 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 1 . 1 1 A 10 10 HIS HA H 10 4.439 4.867 -0.428 2
1 4 . 1 1 A 10 10 HIS CA C 10 55.740 55.127 0.613 2
1 5 . 1 1 A 10 10 HIS CB C 10 32.490 30.703 1.787 2
1 6 . 1 1 A 11 11 GLY H H 11 8.463 8.435 0.028 2
1 7 . 1 1 A 11 11 GLY HA2 H 11 3.930 3.913 0.017 2
1 8 . 1 1 A 11 11 GLY HA3 H 11 3.989 3.944 0.045 2
1 9 . 1 1 A 11 11 GLY C C 11 173.720 173.208 0.512 2
1 10 . 1 1 A 11 11 GLY CA C 11 45.450 45.768 -0.318 2
1 11 . 1 1 A 11 11 GLY N N 11 110.200 109.313 0.887 2
1 12 . 1 1 A 12 12 ASP H H 12 8.174 8.575 -0.401 2
1 13 . 1 1 A 12 12 ASP HA H 12 4.656 4.800 -0.144 2
1 16 . 1 1 A 12 12 ASP C C 12 174.950 175.247 -0.297 2
1 17 . 1 1 A 12 12 ASP CA C 12 54.140 53.972 0.168 2
1 18 . 1 1 A 12 12 ASP CB C 12 41.370 41.072 0.298 2
1 19 . 1 1 A 12 12 ASP N N 12 120.300 122.558 -2.259 2
1 20 . 1 1 A 13 13 ASP H H 13 8.405 8.316 0.089 2
1 21 . 1 1 A 13 13 ASP HA H 13 4.630 4.837 -0.207 2
1 24 . 1 1 A 13 13 ASP C C 13 176.040 175.131 0.909 2
1 25 . 1 1 A 13 13 ASP CA C 13 53.910 53.980 -0.070 2
1 26 . 1 1 A 13 13 ASP CB C 13 40.840 41.673 -0.833 2
1 27 . 1 1 A 13 13 ASP N N 13 121.700 121.091 0.609 2
1 28 . 1 1 A 14 14 SER H H 14 8.120 8.341 -0.221 2
1 29 . 1 1 A 14 14 SER HA H 14 4.570 4.929 -0.359 2
1 32 . 1 1 A 14 14 SER C C 14 173.350 173.229 0.121 2
1 33 . 1 1 A 14 14 SER CA C 14 59.250 57.961 1.290 2
1 34 . 1 1 A 14 14 SER CB C 14 64.956 65.367 -0.411 2
1 35 . 1 1 A 14 14 SER N N 14 114.400 116.999 -2.599 2
1 36 . 1 1 A 15 15 VAL H H 15 8.859 8.638 0.221 2
1 37 . 1 1 A 15 15 VAL HA H 15 4.754 4.532 0.223 2
1 45 . 1 1 A 15 15 VAL C C 15 174.290 174.907 -0.617 2
1 46 . 1 1 A 15 15 VAL CA C 15 59.546 60.650 -1.104 2
1 47 . 1 1 A 15 15 VAL CB C 15 34.830 33.466 1.364 2
1 50 . 1 1 A 15 15 VAL N N 15 118.659 120.259 -1.600 2
1 51 . 1 1 A 16 16 HIS H H 16 9.376 8.864 0.512 2
1 52 . 1 1 A 16 16 HIS HA H 16 5.030 4.910 0.120 2
1 56 . 1 1 A 16 16 HIS C C 16 173.700 174.260 -0.560 2
1 57 . 1 1 A 16 16 HIS CA C 16 54.914 54.954 -0.040 2
1 58 . 1 1 A 16 16 HIS CB C 16 30.300 29.178 1.122 2
1 60 . 1 1 A 16 16 HIS N N 16 126.974 123.558 3.416 2
1 61 . 1 1 A 17 17 LEU H H 17 8.888 8.729 0.159 2
1 62 . 1 1 A 17 17 LEU HA H 17 5.100 4.855 0.245 2
1 72 . 1 1 A 17 17 LEU C C 17 175.750 176.060 -0.310 2
1 73 . 1 1 A 17 17 LEU CA C 17 53.160 54.238 -1.078 2
1 74 . 1 1 A 17 17 LEU CB C 17 44.890 42.462 2.428 2
1 78 . 1 1 A 17 17 LEU N N 17 126.426 125.641 0.785 2
1 79 . 1 1 A 18 18 HIS H H 18 8.610 8.895 -0.285 2
1 80 . 1 1 A 18 18 HIS HA H 18 5.191 4.984 0.207 2
1 84 . 1 1 A 18 18 HIS C C 18 174.120 174.603 -0.483 2
1 85 . 1 1 A 18 18 HIS CA C 18 55.120 55.499 -0.379 2
1 86 . 1 1 A 18 18 HIS CB C 18 31.000 29.914 1.086 2
1 88 . 1 1 A 18 18 HIS N N 18 120.309 123.554 -3.245 2
1 89 . 1 1 A 19 19 ILE H H 19 9.050 8.907 0.143 2
1 90 . 1 1 A 19 19 ILE HA H 19 5.704 4.482 1.222 2
1 100 . 1 1 A 19 19 ILE C C 19 175.890 175.538 0.352 2
1 101 . 1 1 A 19 19 ILE CA C 19 60.250 61.958 -1.708 2
1 102 . 1 1 A 19 19 ILE CB C 19 40.500 37.780 2.720 2
1 106 . 1 1 A 19 19 ILE N N 19 123.672 125.340 -1.668 2
1 107 . 1 1 A 20 20 THR H H 20 9.224 9.346 -0.122 2
1 108 . 1 1 A 20 20 THR HA H 20 4.970 5.187 -0.217 2
1 110 . 1 1 A 20 20 THR C C 20 172.920 173.453 -0.533 2
1 111 . 1 1 A 20 20 THR CA C 20 60.960 61.585 -0.625 2
1 112 . 1 1 A 20 20 THR CB C 20 71.732 71.016 0.716 2
1 114 . 1 1 A 20 20 THR N N 20 117.905 123.186 -5.281 2
1 115 . 1 1 A 21 21 HIS H H 21 9.755 8.963 0.792 2
1 116 . 1 1 A 21 21 HIS HA H 21 5.053 4.829 0.224 2
1 121 . 1 1 A 21 21 HIS C C 21 175.830 175.995 -0.165 2
1 122 . 1 1 A 21 21 HIS CA C 21 55.561 55.830 -0.269 2
1 123 . 1 1 A 21 21 HIS CB C 21 36.450 31.476 4.974 2
1 126 . 1 1 A 21 21 HIS N N 21 122.170 125.569 -3.399 2
1 127 . 1 1 A 22 22 ALA H H 22 9.098 8.667 0.431 2
1 128 . 1 1 A 22 22 ALA HA H 22 4.116 4.031 0.085 2
1 132 . 1 1 A 22 22 ALA C C 22 178.340 179.304 -0.964 2
1 133 . 1 1 A 22 22 ALA CA C 22 54.670 54.718 -0.048 2
1 134 . 1 1 A 22 22 ALA CB C 22 20.870 18.600 2.270 2
1 135 . 1 1 A 22 22 ALA N N 22 128.332 126.929 1.403 2
1 136 . 1 1 A 23 23 ASN H H 23 10.395 8.126 2.269 2
1 137 . 1 1 A 23 23 ASN HA H 23 5.066 4.487 0.579 2
1 142 . 1 1 A 23 23 ASN C C 23 175.090 175.539 -0.449 2
1 143 . 1 1 A 23 23 ASN CA C 23 53.649 55.849 -2.200 2
1 144 . 1 1 A 23 23 ASN CB C 23 41.160 38.730 2.430 2
1 145 . 1 1 A 23 23 ASN N N 23 116.400 116.814 -0.414 2
1 147 . 1 1 A 24 24 LEU H H 24 7.752 7.888 -0.136 2
1 148 . 1 1 A 24 24 LEU HA H 24 4.637 4.564 0.073 2
1 157 . 1 1 A 24 24 LEU C C 24 176.810 177.048 -0.238 2
1 158 . 1 1 A 24 24 LEU CA C 24 53.380 54.347 -0.967 2
1 159 . 1 1 A 24 24 LEU CB C 24 41.630 41.646 -0.016 2
1 162 . 1 1 A 24 24 LEU N N 24 122.870 118.988 3.882 2
1 163 . 1 1 A 25 25 LYS H H 25 8.491 8.605 -0.114 2
1 164 . 1 1 A 25 25 LYS HA H 25 4.196 4.177 0.019 2
1 171 . 1 1 A 25 25 LYS C C 25 177.530 177.279 0.252 2
1 172 . 1 1 A 25 25 LYS CA C 25 59.270 58.828 0.442 2
1 173 . 1 1 A 25 25 LYS CB C 25 32.300 32.362 -0.062 2
1 177 . 1 1 A 25 25 LYS N N 25 124.310 125.791 -1.481 2
1 178 . 1 1 A 26 26 SER H H 26 8.512 7.903 0.609 2
1 179 . 1 1 A 26 26 SER HA H 26 4.513 4.667 -0.153 2
1 182 . 1 1 A 26 26 SER C C 26 174.090 173.843 0.247 2
1 183 . 1 1 A 26 26 SER CA C 26 58.200 58.096 0.104 2
1 184 . 1 1 A 26 26 SER CB C 26 63.487 63.276 0.211 2
1 185 . 1 1 A 26 26 SER N N 26 111.482 114.470 -2.988 2
1 186 . 1 1 A 27 27 PHE H H 27 7.723 8.431 -0.708 2
1 187 . 1 1 A 27 27 PHE HA H 27 4.463 4.974 -0.511 2
1 194 . 1 1 A 27 27 PHE C C 27 175.270 174.177 1.093 2
1 195 . 1 1 A 27 27 PHE CA C 27 59.290 56.561 2.729 2
1 196 . 1 1 A 27 27 PHE CB C 27 40.440 39.983 0.457 2
1 201 . 1 1 A 27 27 PHE N N 27 123.451 127.081 -3.630 2
1 202 . 1 1 A 28 28 SER H H 28 7.702 8.675 -0.973 2
1 203 . 1 1 A 28 28 SER HA H 28 4.630 4.858 -0.228 2
1 206 . 1 1 A 28 28 SER C C 28 172.060 173.313 -1.253 2
1 207 . 1 1 A 28 28 SER CA C 28 57.700 57.614 0.086 2
1 208 . 1 1 A 28 28 SER CB C 28 64.600 63.267 1.333 2
1 209 . 1 1 A 28 28 SER N N 28 123.039 123.126 -0.087 2
1 210 . 1 1 A 29 29 ALA H H 29 8.154 8.084 0.070 2
1 211 . 1 1 A 29 29 ALA HA H 29 4.655 4.692 -0.037 2
1 215 . 1 1 A 29 29 ALA C C 29 174.090 175.820 -1.730 2
1 216 . 1 1 A 29 29 ALA CA C 29 51.300 50.910 0.391 2
1 217 . 1 1 A 29 29 ALA CB C 29 22.900 20.223 2.677 2
1 218 . 1 1 A 29 29 ALA N N 29 124.700 127.279 -2.579 2
1 219 . 1 1 A 30 30 ASP H H 30 8.395 8.656 -0.261 2
1 220 . 1 1 A 30 30 ASP HA H 30 5.532 5.032 0.500 2
1 223 . 1 1 A 30 30 ASP C C 30 174.320 175.059 -0.739 2
1 224 . 1 1 A 30 30 ASP CA C 30 53.870 53.174 0.696 2
1 225 . 1 1 A 30 30 ASP CB C 30 44.420 41.848 2.572 2
1 226 . 1 1 A 30 30 ASP N N 30 117.900 122.327 -4.427 2
1 227 . 1 1 A 31 31 ALA H H 31 8.866 8.874 -0.008 2
1 228 . 1 1 A 31 31 ALA HA H 31 4.554 4.903 -0.349 2
1 232 . 1 1 A 31 31 ALA C C 31 174.240 176.007 -1.767 2
1 233 . 1 1 A 31 31 ALA CA C 31 51.710 50.465 1.245 2
1 234 . 1 1 A 31 31 ALA CB C 31 22.710 21.246 1.464 2
1 235 . 1 1 A 31 31 ALA N N 31 121.463 126.341 -4.878 2
1 236 . 1 1 A 32 32 ARG H H 32 8.056 8.309 -0.253 2
1 237 . 1 1 A 32 32 ARG HA H 32 5.232 5.006 0.226 2
1 244 . 1 1 A 32 32 ARG C C 32 175.610 175.228 0.382 2
1 245 . 1 1 A 32 32 ARG CA C 32 54.780 55.199 -0.419 2
1 246 . 1 1 A 32 32 ARG CB C 32 31.840 31.134 0.706 2
1 249 . 1 1 A 32 32 ARG N N 32 119.065 120.316 -1.251 2
1 250 . 1 1 A 33 33 PHE H H 33 8.787 8.869 -0.082 2
1 251 . 1 1 A 33 33 PHE HA H 33 4.900 4.973 -0.073 2
1 258 . 1 1 A 33 33 PHE C C 33 175.050 175.210 -0.160 2
1 259 . 1 1 A 33 33 PHE CA C 33 55.790 56.945 -1.155 2
1 260 . 1 1 A 33 33 PHE CB C 33 43.300 42.508 0.793 2
1 265 . 1 1 A 33 33 PHE N N 33 119.356 122.634 -3.278 2
1 266 . 1 1 A 34 34 SER H H 34 8.361 8.851 -0.490 2
1 267 . 1 1 A 34 34 SER HA H 34 4.910 4.838 0.072 2
1 268 . 1 1 A 34 34 SER CA C 34 55.270 56.770 -1.500 2
1 269 . 1 1 A 34 34 SER CB C 34 64.310 63.346 0.964 2
1 270 . 1 1 A 34 34 SER N N 34 118.000 117.344 0.656 2
1 271 . 1 1 A 35 35 PRO HA H 35 4.183 4.545 -0.362 2
1 278 . 1 1 A 35 35 PRO C C 35 176.460 177.199 -0.739 2
1 279 . 1 1 A 35 35 PRO CA C 35 64.120 64.056 0.064 2
1 280 . 1 1 A 35 35 PRO CB C 35 32.140 31.552 0.588 2
1 283 . 1 1 A 36 36 GLN H H 36 8.013 8.491 -0.478 2
1 284 . 1 1 A 36 36 GLN HA H 36 4.278 4.336 -0.058 2
1 291 . 1 1 A 36 36 GLN C C 36 176.630 175.435 1.195 2
1 292 . 1 1 A 36 36 GLN CA C 36 56.600 56.657 -0.057 2
1 293 . 1 1 A 36 36 GLN CB C 36 29.380 28.981 0.399 2
1 295 . 1 1 A 36 36 GLN N N 36 114.700 117.732 -3.032 2
1 297 . 1 1 A 37 37 MET H H 37 7.628 7.630 -0.002 2
1 298 . 1 1 A 37 37 MET HA H 37 4.314 4.627 -0.313 2
1 303 . 1 1 A 37 37 MET C C 37 174.480 175.429 -0.949 2
1 304 . 1 1 A 37 37 MET CA C 37 56.260 54.959 1.301 2
1 305 . 1 1 A 37 37 MET CB C 37 34.890 34.057 0.833 2
1 307 . 1 1 A 37 37 MET N N 37 120.895 121.629 -0.734 2
1 308 . 1 1 A 38 38 SER H H 38 8.740 8.761 -0.021 2
1 309 . 1 1 A 38 38 SER HA H 38 4.650 4.811 -0.161 2
1 312 . 1 1 A 38 38 SER C C 38 175.320 175.548 -0.227 2
1 313 . 1 1 A 38 38 SER CA C 38 57.555 57.281 0.274 2
1 314 . 1 1 A 38 38 SER CB C 38 64.800 65.090 -0.290 2
1 315 . 1 1 A 38 38 SER N N 38 119.800 119.314 0.486 2
1 316 . 1 1 A 39 39 VAL H H 39 8.619 8.538 0.081 2
1 317 . 1 1 A 39 39 VAL HA H 39 3.405 3.660 -0.255 2
1 325 . 1 1 A 39 39 VAL C C 39 177.950 177.685 0.265 2
1 326 . 1 1 A 39 39 VAL CA C 39 68.010 65.933 2.077 2
1 327 . 1 1 A 39 39 VAL CB C 39 31.830 31.450 0.380 2
1 330 . 1 1 A 39 39 VAL N N 39 122.324 123.104 -0.780 2
1 331 . 1 1 A 40 40 GLU H H 40 8.737 8.277 0.460 2
1 332 . 1 1 A 40 40 GLU HA H 40 3.743 3.917 -0.174 2
1 337 . 1 1 A 40 40 GLU C C 40 177.450 178.399 -0.949 2
1 338 . 1 1 A 40 40 GLU CA C 40 60.570 59.437 1.133 2
1 339 . 1 1 A 40 40 GLU CB C 40 30.000 29.480 0.520 2
1 341 . 1 1 A 40 40 GLU N N 40 120.358 120.902 -0.544 2
1 342 . 1 1 A 41 41 ALA H H 41 8.056 7.686 0.370 2
1 343 . 1 1 A 41 41 ALA HA H 41 4.275 4.096 0.179 2
1 347 . 1 1 A 41 41 ALA C C 41 181.560 179.627 1.933 2
1 348 . 1 1 A 41 41 ALA CA C 41 55.080 54.775 0.305 2
1 349 . 1 1 A 41 41 ALA CB C 41 18.570 18.356 0.214 2
1 350 . 1 1 A 41 41 ALA N N 41 123.045 121.625 1.420 2
1 351 . 1 1 A 42 42 VAL H H 42 8.519 7.703 0.816 2
1 352 . 1 1 A 42 42 VAL HA H 42 3.456 3.849 -0.393 2
1 360 . 1 1 A 42 42 VAL C C 42 177.950 177.703 0.247 2
1 361 . 1 1 A 42 42 VAL CA C 42 67.440 64.719 2.721 2
1 362 . 1 1 A 42 42 VAL CB C 42 31.370 31.611 -0.241 2
1 365 . 1 1 A 42 42 VAL N N 42 122.576 117.281 5.295 2
1 366 . 1 1 A 43 43 LYS H H 43 8.660 7.813 0.847 2
1 367 . 1 1 A 43 43 LYS HA H 43 3.905 3.915 -0.010 2
1 374 . 1 1 A 43 43 LYS C C 43 178.490 179.093 -0.603 2
1 375 . 1 1 A 43 43 LYS CA C 43 61.080 60.201 0.879 2
1 376 . 1 1 A 43 43 LYS CB C 43 33.450 32.165 1.285 2
1 380 . 1 1 A 43 43 LYS N N 43 118.752 122.053 -3.301 2
1 381 . 1 1 A 44 44 GLU H H 44 8.109 7.946 0.164 2
1 382 . 1 1 A 44 44 GLU HA H 44 4.100 4.214 -0.114 2
1 387 . 1 1 A 44 44 GLU C C 44 178.760 179.091 -0.331 2
1 388 . 1 1 A 44 44 GLU CA C 44 60.560 59.411 1.149 2
1 389 . 1 1 A 44 44 GLU CB C 44 29.700 29.301 0.399 2
1 391 . 1 1 A 44 44 GLU N N 44 118.904 119.779 -0.875 2
1 392 . 1 1 A 45 45 LYS H H 45 7.868 7.742 0.127 2
1 393 . 1 1 A 45 45 LYS HA H 45 4.147 4.193 -0.046 2
1 400 . 1 1 A 45 45 LYS C C 45 180.020 179.077 0.943 2
1 401 . 1 1 A 45 45 LYS CA C 45 59.210 58.996 0.214 2
1 402 . 1 1 A 45 45 LYS CB C 45 32.540 32.058 0.482 2
1 406 . 1 1 A 45 45 LYS N N 45 118.353 119.973 -1.620 2
1 407 . 1 1 A 46 46 LEU H H 46 8.538 8.033 0.505 2
1 408 . 1 1 A 46 46 LEU HA H 46 4.147 4.147 -0.000 2
1 418 . 1 1 A 46 46 LEU C C 46 179.950 179.144 0.806 2
1 419 . 1 1 A 46 46 LEU CA C 46 57.900 57.336 0.564 2
1 420 . 1 1 A 46 46 LEU CB C 46 40.800 41.905 -1.105 2
1 424 . 1 1 A 46 46 LEU N N 46 118.568 118.946 -0.378 2
1 425 . 1 1 A 47 47 TRP H H 47 9.308 8.398 0.910 2
1 426 . 1 1 A 47 47 TRP HA H 47 4.636 4.180 0.456 2
1 435 . 1 1 A 47 47 TRP C C 47 179.040 178.093 0.947 2
1 436 . 1 1 A 47 47 TRP CA C 47 60.312 60.475 -0.163 2
1 437 . 1 1 A 47 47 TRP CB C 47 28.080 29.804 -1.724 2
1 443 . 1 1 A 47 47 TRP N N 47 127.808 120.972 6.836 2
1 445 . 1 1 A 48 48 LYS H H 48 7.362 8.219 -0.857 2
1 446 . 1 1 A 48 48 LYS HA H 48 3.238 3.883 -0.645 2
1 453 . 1 1 A 48 48 LYS C C 48 177.660 178.278 -0.618 2
1 454 . 1 1 A 48 48 LYS CA C 48 58.360 57.978 0.382 2
1 455 . 1 1 A 48 48 LYS CB C 48 32.090 32.102 -0.012 2
1 459 . 1 1 A 48 48 LYS N N 48 118.583 118.290 0.293 2
1 460 . 1 1 A 49 49 LYS H H 49 7.339 7.865 -0.526 2
1 461 . 1 1 A 49 49 LYS HA H 49 4.388 4.158 0.230 2
1 468 . 1 1 A 49 49 LYS C C 49 177.120 177.960 -0.840 2
1 469 . 1 1 A 49 49 LYS CA C 49 57.469 58.617 -1.148 2
1 470 . 1 1 A 49 49 LYS CB C 49 33.990 33.185 0.805 2
1 474 . 1 1 A 49 49 LYS N N 49 114.530 119.874 -5.344 2
1 475 . 1 1 A 50 50 CYS H H 50 8.092 7.856 0.236 2
1 476 . 1 1 A 50 50 CYS HA H 50 4.880 4.547 0.333 2
1 479 . 1 1 A 50 50 CYS C C 50 174.560 175.257 -0.697 2
1 480 . 1 1 A 50 50 CYS CA C 50 57.213 59.383 -2.170 2
1 481 . 1 1 A 50 50 CYS CB C 50 31.470 29.298 2.172 2
1 482 . 1 1 A 50 50 CYS N N 50 110.536 115.342 -4.806 2
1 483 . 1 1 A 51 51 GLY H H 51 8.644 8.180 0.464 2
1 484 . 1 1 A 51 51 GLY HA2 H 51 4.248 3.652 0.596 2
1 485 . 1 1 A 51 51 GLY HA3 H 51 3.650 3.839 -0.189 2
1 486 . 1 1 A 51 51 GLY C C 51 173.800 174.164 -0.364 2
1 487 . 1 1 A 51 51 GLY CA C 51 46.390 45.971 0.419 2
1 488 . 1 1 A 51 51 GLY N N 51 113.666 109.846 3.820 2
1 489 . 1 1 A 52 52 THR H H 52 7.781 7.697 0.084 2
1 490 . 1 1 A 52 52 THR HA H 52 4.277 4.621 -0.344 2
1 495 . 1 1 A 52 52 THR C C 52 172.080 173.817 -1.737 2
1 496 . 1 1 A 52 52 THR CA C 52 63.630 61.777 1.853 2
1 497 . 1 1 A 52 52 THR CB C 52 69.720 70.652 -0.932 2
1 499 . 1 1 A 52 52 THR N N 52 121.643 115.200 6.443 2
1 500 . 1 1 A 53 53 SER H H 53 8.606 8.670 -0.064 2
1 501 . 1 1 A 53 53 SER HA H 53 3.775 4.606 -0.831 2
1 504 . 1 1 A 53 53 SER C C 53 175.890 175.051 0.839 2
1 505 . 1 1 A 53 53 SER CA C 53 58.590 59.044 -0.454 2
1 506 . 1 1 A 53 53 SER CB C 53 63.620 63.751 -0.131 2
1 507 . 1 1 A 53 53 SER N N 53 120.903 120.330 0.573 2
1 508 . 1 1 A 54 54 VAL H H 54 7.895 8.629 -0.734 2
1 509 . 1 1 A 54 54 VAL HA H 54 3.563 4.061 -0.498 2
1 517 . 1 1 A 54 54 VAL C C 54 178.260 176.642 1.618 2
1 518 . 1 1 A 54 54 VAL CA C 54 66.600 63.235 3.365 2
1 519 . 1 1 A 54 54 VAL CB C 54 31.630 31.257 0.373 2
1 522 . 1 1 A 54 54 VAL N N 54 121.121 123.693 -2.572 2
1 523 . 1 1 A 55 55 ASN H H 55 8.148 8.281 -0.133 2
1 524 . 1 1 A 55 55 ASN HA H 55 4.496 4.689 -0.193 2
1 529 . 1 1 A 55 55 ASN C C 55 175.640 176.859 -1.219 2
1 530 . 1 1 A 55 55 ASN CA C 55 54.875 55.116 -0.241 2
1 531 . 1 1 A 55 55 ASN CB C 55 38.120 39.274 -1.154 2
1 532 . 1 1 A 55 55 ASN N N 55 115.018 122.324 -7.306 2
1 534 . 1 1 A 56 56 SER H H 56 7.559 7.903 -0.344 2
1 535 . 1 1 A 56 56 SER HA H 56 4.585 4.462 0.123 2
1 538 . 1 1 A 56 56 SER C C 56 171.180 174.295 -3.115 2
1 539 . 1 1 A 56 56 SER CA C 56 57.260 59.466 -2.206 2
1 540 . 1 1 A 56 56 SER CB C 56 64.260 63.726 0.534 2
1 541 . 1 1 A 56 56 SER N N 56 114.545 113.229 1.316 2
1 542 . 1 1 A 57 57 MET H H 57 7.177 7.559 -0.382 2
1 543 . 1 1 A 57 57 MET HA H 57 4.785 4.784 0.001 2
1 548 . 1 1 A 57 57 MET C C 57 175.400 174.596 0.804 2
1 549 . 1 1 A 57 57 MET CA C 57 55.631 54.465 1.166 2
1 550 . 1 1 A 57 57 MET CB C 57 36.740 33.554 3.186 2
1 552 . 1 1 A 57 57 MET N N 57 120.883 120.670 0.213 2
1 553 . 1 1 A 58 58 ALA H H 58 9.226 8.581 0.645 2
1 554 . 1 1 A 58 58 ALA HA H 58 4.723 4.881 -0.158 2
1 558 . 1 1 A 58 58 ALA C C 58 175.360 176.351 -0.991 2
1 559 . 1 1 A 58 58 ALA CA C 58 50.327 50.989 -0.662 2
1 560 . 1 1 A 58 58 ALA CB C 58 21.580 20.531 1.049 2
1 561 . 1 1 A 58 58 ALA N N 58 129.559 129.117 0.442 2
1 562 . 1 1 A 59 59 LEU H H 59 8.307 8.971 -0.664 2
1 563 . 1 1 A 59 59 LEU HA H 59 5.393 4.813 0.580 2
1 573 . 1 1 A 59 59 LEU C C 59 175.470 175.483 -0.013 2
1 574 . 1 1 A 59 59 LEU CA C 59 52.970 53.695 -0.725 2
1 575 . 1 1 A 59 59 LEU CB C 59 47.410 42.578 4.832 2
1 579 . 1 1 A 59 59 LEU N N 59 118.793 123.061 -4.268 2
1 580 . 1 1 A 60 60 GLU H H 60 8.978 8.896 0.082 2
1 581 . 1 1 A 60 60 GLU HA H 60 4.789 4.566 0.223 2
1 586 . 1 1 A 60 60 GLU C C 60 173.670 174.823 -1.153 2
1 587 . 1 1 A 60 60 GLU CA C 60 54.246 55.690 -1.444 2
1 588 . 1 1 A 60 60 GLU CB C 60 35.470 30.042 5.428 2
1 590 . 1 1 A 60 60 GLU N N 60 121.100 124.783 -3.683 2
1 591 . 1 1 A 61 61 LEU H H 61 8.651 8.634 0.017 2
1 592 . 1 1 A 61 61 LEU HA H 61 5.541 4.870 0.671 2
1 602 . 1 1 A 61 61 LEU C C 61 174.270 174.358 -0.088 2
1 603 . 1 1 A 61 61 LEU CA C 61 53.120 53.769 -0.649 2
1 604 . 1 1 A 61 61 LEU CB C 61 46.890 43.100 3.790 2
1 608 . 1 1 A 61 61 LEU N N 61 122.689 127.699 -5.010 2
1 609 . 1 1 A 62 62 TYR H H 62 10.028 9.024 1.004 2
1 610 . 1 1 A 62 62 TYR HA H 62 5.096 5.207 -0.111 2
1 617 . 1 1 A 62 62 TYR C C 62 175.180 175.440 -0.260 2
1 618 . 1 1 A 62 62 TYR CA C 62 56.520 57.427 -0.907 2
1 619 . 1 1 A 62 62 TYR CB C 62 42.520 40.374 2.146 2
1 624 . 1 1 A 62 62 TYR N N 62 126.875 127.247 -0.372 2
1 625 . 1 1 A 63 63 ASP H H 63 8.573 8.737 -0.164 2
1 626 . 1 1 A 63 63 ASP HA H 63 2.824 5.016 -2.192 2
1 629 . 1 1 A 63 63 ASP C C 63 176.470 176.065 0.405 2
1 630 . 1 1 A 63 63 ASP CA C 63 51.490 53.168 -1.678 2
1 631 . 1 1 A 63 63 ASP CB C 63 41.490 41.752 -0.262 2
1 632 . 1 1 A 63 63 ASP N N 63 118.563 122.833 -4.270 2
1 633 . 1 1 A 64 64 ASP H H 64 8.319 8.671 -0.352 2
1 634 . 1 1 A 64 64 ASP HA H 64 4.396 4.533 -0.137 2
1 637 . 1 1 A 64 64 ASP C C 64 176.670 176.259 0.411 2
1 638 . 1 1 A 64 64 ASP CA C 64 55.270 55.132 0.138 2
1 639 . 1 1 A 64 64 ASP CB C 64 39.540 40.756 -1.216 2
1 640 . 1 1 A 64 64 ASP N N 64 114.728 122.022 -7.294 2
1 641 . 1 1 A 65 65 SER H H 65 8.305 8.352 -0.047 2
1 642 . 1 1 A 65 65 SER HA H 65 4.640 4.485 0.155 2
1 645 . 1 1 A 65 65 SER C C 65 174.700 175.076 -0.376 2
1 646 . 1 1 A 65 65 SER CA C 65 58.550 59.734 -1.184 2
1 647 . 1 1 A 65 65 SER CB C 65 64.393 64.059 0.334 2
1 648 . 1 1 A 65 65 SER N N 65 115.837 112.841 2.996 2
1 649 . 1 1 A 66 66 GLY H H 66 7.876 8.207 -0.331 2
1 650 . 1 1 A 66 66 GLY HA2 H 66 4.284 3.886 0.398 2
1 651 . 1 1 A 66 66 GLY HA3 H 66 3.679 3.959 -0.280 2
1 652 . 1 1 A 66 66 GLY C C 66 174.550 174.350 0.200 2
1 653 . 1 1 A 66 66 GLY CA C 66 45.570 45.427 0.143 2
1 654 . 1 1 A 66 66 GLY N N 66 109.151 109.253 -0.102 2
1 655 . 1 1 A 67 67 SER H H 67 8.416 7.947 0.469 2
1 656 . 1 1 A 67 67 SER HA H 67 4.583 4.702 -0.119 2
1 659 . 1 1 A 67 67 SER C C 67 173.680 173.732 -0.052 2
1 660 . 1 1 A 67 67 SER CA C 67 58.070 58.568 -0.498 2
1 661 . 1 1 A 67 67 SER CB C 67 63.300 64.924 -1.624 2
1 662 . 1 1 A 67 67 SER N N 67 119.156 115.431 3.725 2
1 663 . 1 1 A 68 68 LYS H H 68 8.880 8.348 0.532 2
1 664 . 1 1 A 68 68 LYS HA H 68 3.233 4.779 -1.546 2
1 671 . 1 1 A 68 68 LYS C C 68 176.440 176.350 0.090 2
1 672 . 1 1 A 68 68 LYS CA C 68 57.920 55.646 2.274 2
1 673 . 1 1 A 68 68 LYS CB C 68 31.822 33.489 -1.667 2
1 677 . 1 1 A 68 68 LYS N N 68 128.005 121.991 6.014 2
1 678 . 1 1 A 69 69 VAL H H 69 9.215 8.642 0.573 2
1 679 . 1 1 A 69 69 VAL HA H 69 4.185 4.541 -0.356 2
1 687 . 1 1 A 69 69 VAL C C 69 176.170 175.456 0.714 2
1 688 . 1 1 A 69 69 VAL CA C 69 62.860 61.079 1.781 2
1 689 . 1 1 A 69 69 VAL CB C 69 33.660 32.084 1.576 2
1 692 . 1 1 A 69 69 VAL N N 69 126.574 119.604 6.970 2
1 693 . 1 1 A 70 70 ALA H H 70 7.647 7.740 -0.093 2
1 694 . 1 1 A 70 70 ALA HA H 70 4.614 4.337 0.277 2
1 698 . 1 1 A 70 70 ALA C C 70 175.170 177.070 -1.900 2
1 699 . 1 1 A 70 70 ALA CA C 70 52.400 51.449 0.951 2
1 700 . 1 1 A 70 70 ALA CB C 70 23.350 18.808 4.542 2
1 701 . 1 1 A 70 70 ALA N N 70 118.268 126.289 -8.021 2
1 702 . 1 1 A 71 71 VAL H H 71 8.428 8.386 0.042 2
1 703 . 1 1 A 71 71 VAL HA H 71 4.216 4.163 0.053 2
1 711 . 1 1 A 71 71 VAL C C 71 175.810 175.213 0.597 2
1 712 . 1 1 A 71 71 VAL CA C 71 62.380 63.524 -1.144 2
1 713 . 1 1 A 71 71 VAL CB C 71 33.120 33.005 0.115 2
1 716 . 1 1 A 71 71 VAL N N 71 119.624 123.143 -3.519 2
1 717 . 1 1 A 72 72 LEU H H 72 8.333 8.097 0.236 2
1 718 . 1 1 A 72 72 LEU HA H 72 3.882 4.114 -0.232 2
1 728 . 1 1 A 72 72 LEU C C 72 176.580 176.319 0.261 2
1 729 . 1 1 A 72 72 LEU CA C 72 54.600 55.390 -0.790 2
1 730 . 1 1 A 72 72 LEU CB C 72 37.880 41.515 -3.635 2
1 734 . 1 1 A 72 72 LEU N N 72 130.241 124.661 5.580 2
1 735 . 1 1 A 73 73 SER H H 73 7.865 8.072 -0.207 2
1 736 . 1 1 A 73 73 SER HA H 73 4.304 4.587 -0.283 2
1 739 . 1 1 A 73 73 SER C C 73 173.470 174.600 -1.130 2
1 740 . 1 1 A 73 73 SER CA C 73 59.400 58.627 0.773 2
1 741 . 1 1 A 73 73 SER CB C 73 64.230 64.285 -0.055 2
1 742 . 1 1 A 73 73 SER N N 73 116.577 116.359 0.218 2
1 743 . 1 1 A 74 74 ASP H H 74 7.553 8.000 -0.447 2
1 744 . 1 1 A 74 74 ASP HA H 74 4.858 4.752 0.106 2
1 747 . 1 1 A 74 74 ASP C C 74 175.910 176.692 -0.782 2
1 748 . 1 1 A 74 74 ASP CA C 74 53.057 53.599 -0.542 2
1 749 . 1 1 A 74 74 ASP CB C 74 41.720 40.869 0.851 2
1 750 . 1 1 A 74 74 ASP N N 74 120.482 119.144 1.338 2
1 751 . 1 1 A 75 75 ASP H H 75 8.601 8.376 0.225 2
1 752 . 1 1 A 75 75 ASP HA H 75 4.375 4.344 0.031 2
1 755 . 1 1 A 75 75 ASP C C 75 176.590 177.255 -0.665 2
1 756 . 1 1 A 75 75 ASP CA C 75 56.760 56.392 0.368 2
1 757 . 1 1 A 75 75 ASP CB C 75 41.310 40.093 1.217 2
1 758 . 1 1 A 75 75 ASP N N 75 125.434 121.386 4.048 2
1 759 . 1 1 A 76 76 SER H H 76 8.558 7.814 0.744 2
1 760 . 1 1 A 76 76 SER HA H 76 4.463 4.584 -0.121 2
1 763 . 1 1 A 76 76 SER C C 76 175.630 173.600 2.030 2
1 764 . 1 1 A 76 76 SER CA C 76 59.320 58.278 1.042 2
1 765 . 1 1 A 76 76 SER CB C 76 64.255 63.725 0.530 2
1 766 . 1 1 A 76 76 SER N N 76 112.502 111.620 0.882 2
1 767 . 1 1 A 77 77 ARG H H 77 7.381 7.410 -0.029 2
1 768 . 1 1 A 77 77 ARG HA H 77 4.318 4.690 -0.372 2
1 775 . 1 1 A 77 77 ARG CA C 77 53.260 52.883 0.377 2
1 776 . 1 1 A 77 77 ARG CB C 77 30.880 31.200 -0.320 2
1 779 . 1 1 A 77 77 ARG N N 77 123.368 120.439 2.929 2
1 780 . 1 1 A 78 78 PRO HA H 78 4.697 4.621 0.076 2
1 787 . 1 1 A 78 78 PRO C C 78 178.090 178.046 0.044 2
1 788 . 1 1 A 78 78 PRO CA C 78 61.970 63.070 -1.100 2
1 789 . 1 1 A 78 78 PRO CB C 78 31.380 31.870 -0.490 2
1 792 . 1 1 A 79 79 LEU H H 79 9.260 8.764 0.496 2
1 793 . 1 1 A 79 79 LEU HA H 79 4.099 4.174 -0.075 2
1 803 . 1 1 A 79 79 LEU C C 79 178.680 179.164 -0.484 2
1 804 . 1 1 A 79 79 LEU CA C 79 58.290 57.679 0.611 2
1 805 . 1 1 A 79 79 LEU CB C 79 42.160 41.782 0.378 2
1 809 . 1 1 A 79 79 LEU N N 79 124.739 125.565 -0.826 2
1 810 . 1 1 A 80 80 GLY H H 80 9.611 8.311 1.300 2
1 811 . 1 1 A 80 80 GLY HA2 H 80 4.003 3.920 0.083 2
1 812 . 1 1 A 80 80 GLY HA3 H 80 3.683 3.935 -0.252 2
1 813 . 1 1 A 80 80 GLY C C 80 175.850 175.541 0.309 2
1 814 . 1 1 A 80 80 GLY CA C 80 46.830 46.748 0.082 2
1 815 . 1 1 A 80 80 GLY N N 80 102.276 106.798 -4.522 2
1 816 . 1 1 A 81 81 PHE H H 81 8.177 8.210 -0.034 2
1 817 . 1 1 A 81 81 PHE HA H 81 4.090 4.224 -0.134 2
1 822 . 1 1 A 81 81 PHE C C 81 175.810 177.687 -1.877 2
1 823 . 1 1 A 81 81 PHE CA C 81 60.560 60.511 0.049 2
1 824 . 1 1 A 81 81 PHE CB C 81 39.640 39.270 0.370 2
1 827 . 1 1 A 81 81 PHE N N 81 123.413 122.298 1.115 2
1 828 . 1 1 A 82 82 PHE H H 82 7.733 8.000 -0.267 2
1 829 . 1 1 A 82 82 PHE HA H 82 4.171 4.189 -0.018 2
1 834 . 1 1 A 82 82 PHE C C 82 172.960 175.229 -2.269 2
1 835 . 1 1 A 82 82 PHE CA C 82 57.730 60.767 -3.037 2
1 836 . 1 1 A 82 82 PHE CB C 82 38.670 39.734 -1.064 2
1 839 . 1 1 A 82 82 PHE N N 82 114.781 120.108 -5.327 2
1 840 . 1 1 A 83 83 SER H H 83 7.541 8.124 -0.583 2
1 841 . 1 1 A 83 83 SER HA H 83 3.898 4.314 -0.416 2
1 844 . 1 1 A 83 83 SER CA C 83 57.980 58.142 -0.162 2
1 845 . 1 1 A 83 83 SER CB C 83 61.882 62.617 -0.735 2
1 846 . 1 1 A 83 83 SER N N 83 108.622 113.072 -4.450 2
1 847 . 1 1 A 85 85 PHE HA H 85 4.447 4.701 -0.254 2
1 854 . 1 1 A 85 85 PHE C C 85 173.640 175.377 -1.737 2
1 855 . 1 1 A 85 85 PHE CA C 85 55.600 58.101 -2.501 2
1 856 . 1 1 A 85 85 PHE CB C 85 42.180 40.783 1.397 2
1 861 . 1 1 A 86 86 ASP H H 86 8.469 8.539 -0.070 2
1 862 . 1 1 A 86 86 ASP HA H 86 4.934 4.724 0.210 2
1 865 . 1 1 A 86 86 ASP C C 86 177.910 176.274 1.636 2
1 866 . 1 1 A 86 86 ASP CA C 86 55.927 54.739 1.188 2
1 867 . 1 1 A 86 86 ASP CB C 86 41.109 41.199 -0.090 2
1 868 . 1 1 A 86 86 ASP N N 86 119.276 120.829 -1.553 2
1 869 . 1 1 A 87 87 GLY H H 87 9.163 7.930 1.233 2
1 870 . 1 1 A 87 87 GLY HA2 H 87 4.570 3.978 0.592 2
1 871 . 1 1 A 87 87 GLY HA3 H 87 3.701 4.082 -0.381 2
1 872 . 1 1 A 87 87 GLY C C 87 175.180 173.585 1.595 2
1 873 . 1 1 A 87 87 GLY CA C 87 45.540 45.603 -0.063 2
1 874 . 1 1 A 87 87 GLY N N 87 109.579 108.309 1.270 2
1 875 . 1 1 A 88 88 PHE H H 88 8.270 8.148 0.122 2
1 876 . 1 1 A 88 88 PHE HA H 88 4.653 4.924 -0.271 2
1 883 . 1 1 A 88 88 PHE C C 88 172.620 175.669 -3.049 2
1 884 . 1 1 A 88 88 PHE CA C 88 57.570 57.983 -0.413 2
1 885 . 1 1 A 88 88 PHE CB C 88 38.750 40.980 -2.229 2
1 890 . 1 1 A 88 88 PHE N N 88 121.300 120.469 0.831 2
1 891 . 1 1 A 89 89 ARG H H 89 9.056 9.021 0.035 2
1 892 . 1 1 A 89 89 ARG HA H 89 5.652 5.072 0.580 2
1 899 . 1 1 A 89 89 ARG C C 89 174.990 175.240 -0.250 2
1 900 . 1 1 A 89 89 ARG CA C 89 54.067 55.419 -1.352 2
1 901 . 1 1 A 89 89 ARG CB C 89 35.630 32.022 3.608 2
1 904 . 1 1 A 89 89 ARG N N 89 120.200 122.064 -1.864 2
1 905 . 1 1 A 90 90 LEU H H 90 9.487 9.397 0.090 2
1 906 . 1 1 A 90 90 LEU HA H 90 5.244 4.802 0.442 2
1 916 . 1 1 A 90 90 LEU C C 90 173.050 175.208 -2.158 2
1 917 . 1 1 A 90 90 LEU CA C 90 53.250 54.130 -0.880 2
1 918 . 1 1 A 90 90 LEU CB C 90 44.870 41.491 3.379 2
1 922 . 1 1 A 90 90 LEU N N 90 128.373 126.242 2.131 2
1 923 . 1 1 A 91 91 HIS H H 91 9.474 9.095 0.379 2
1 924 . 1 1 A 91 91 HIS HA H 91 5.357 5.156 0.201 2
1 929 . 1 1 A 91 91 HIS C C 91 173.870 173.382 0.487 2
1 930 . 1 1 A 91 91 HIS CA C 91 54.320 54.422 -0.102 2
1 931 . 1 1 A 91 91 HIS CB C 91 36.070 30.265 5.805 2
1 934 . 1 1 A 91 91 HIS N N 91 125.565 125.198 0.367 2
1 935 . 1 1 A 92 92 ILE H H 92 8.341 8.753 -0.412 2
1 936 . 1 1 A 92 92 ILE HA H 92 4.045 4.160 -0.115 2
1 946 . 1 1 A 92 92 ILE C C 92 173.350 175.444 -2.094 2
1 947 . 1 1 A 92 92 ILE CA C 92 61.380 61.450 -0.070 2
1 948 . 1 1 A 92 92 ILE CB C 92 40.040 37.647 2.393 2
1 952 . 1 1 A 92 92 ILE N N 92 126.939 128.787 -1.848 2
1 953 . 1 1 A 93 93 ILE H H 93 8.754 8.960 -0.206 2
1 954 . 1 1 A 93 93 ILE HA H 93 3.744 4.176 -0.431 2
1 964 . 1 1 A 93 93 ILE C C 93 174.450 174.777 -0.327 2
1 965 . 1 1 A 93 93 ILE CA C 93 60.480 61.074 -0.594 2
1 966 . 1 1 A 93 93 ILE CB C 93 41.250 37.227 4.023 2
1 970 . 1 1 A 93 93 ILE N N 93 126.486 128.982 -2.496 2
1 971 . 1 1 A 94 94 ASP H H 94 7.976 8.595 -0.619 2
1 972 . 1 1 A 94 94 ASP HA H 94 4.881 4.812 0.069 2
1 975 . 1 1 A 94 94 ASP C C 94 176.710 176.013 0.697 2
1 976 . 1 1 A 94 94 ASP CA C 94 52.170 53.524 -1.354 2
1 977 . 1 1 A 94 94 ASP CB C 94 42.000 40.269 1.731 2
1 978 . 1 1 A 94 94 ASP N N 94 124.752 128.498 -3.746 2
1 979 . 1 1 A 95 95 LEU H H 95 9.218 8.452 0.766 2
1 980 . 1 1 A 95 95 LEU HA H 95 4.111 4.551 -0.440 2
1 990 . 1 1 A 95 95 LEU C C 95 177.230 176.115 1.115 2
1 991 . 1 1 A 95 95 LEU CA C 95 55.553 55.037 0.516 2
1 992 . 1 1 A 95 95 LEU CB C 95 42.380 42.282 0.098 2
1 996 . 1 1 A 95 95 LEU N N 95 126.286 124.785 1.501 2
1 997 . 1 1 A 96 96 ASP H H 96 8.762 7.936 0.826 2
1 998 . 1 1 A 96 96 ASP HA H 96 4.946 4.956 -0.010 2
1 1001 . 1 1 A 96 96 ASP CA C 96 52.598 51.483 1.115 2
1 1002 . 1 1 A 96 96 ASP CB C 96 41.400 42.050 -0.650 2
stop_
save_