data_15956_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15956
_Entry.PDB_ID 2K3G
_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 21
_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 2 2 PRO HA H 29 4.310 4.576 -0.266 1
1 8 . 1 1 1 A 2 2 PRO CA C 29 64.380 63.232 1.148 1
1 9 . 1 1 1 A 2 2 PRO CB C 29 32.300 31.904 0.396 1
1 12 . 1 1 1 A 3 3 GLU H H 30 9.010 8.771 0.239 1
1 13 . 1 1 1 A 3 3 GLU HA H 30 4.170 4.788 -0.618 1
1 18 . 1 1 1 A 3 3 GLU C C 30 173.730 174.829 -1.099 1
1 19 . 1 1 1 A 3 3 GLU CA C 30 57.560 55.350 2.210 1
1 20 . 1 1 1 A 3 3 GLU CB C 30 29.400 30.398 -0.998 1
1 22 . 1 1 1 A 3 3 GLU N N 30 118.790 123.800 -5.010 1
1 23 . 1 1 1 A 4 4 ASP H H 31 7.940 8.831 -0.891 1
1 24 . 1 1 1 A 4 4 ASP HA H 31 4.560 4.681 -0.121 1
1 27 . 1 1 1 A 4 4 ASP C C 31 173.600 174.456 -0.856 1
1 28 . 1 1 1 A 4 4 ASP CA C 31 54.940 53.702 1.238 1
1 29 . 1 1 1 A 4 4 ASP CB C 31 41.650 40.324 1.326 1
1 30 . 1 1 1 A 4 4 ASP N N 31 119.920 125.363 -5.443 1
1 31 . 1 1 1 A 5 5 THR H H 32 7.810 8.733 -0.923 1
1 32 . 1 1 1 A 5 5 THR HA H 32 4.160 4.932 -0.772 1
1 37 . 1 1 1 A 5 5 THR C C 32 171.630 174.311 -2.681 1
1 38 . 1 1 1 A 5 5 THR CA C 32 62.410 61.900 0.510 1
1 39 . 1 1 1 A 5 5 THR CB C 32 70.040 68.796 1.244 1
1 41 . 1 1 1 A 5 5 THR N N 32 113.570 119.776 -6.206 1
1 42 . 1 1 1 A 6 6 LEU H H 33 8.100 8.692 -0.592 1
1 43 . 1 1 1 A 6 6 LEU HA H 33 4.490 4.922 -0.432 1
1 53 . 1 1 1 A 6 6 LEU C C 33 172.440 174.885 -2.445 1
1 54 . 1 1 1 A 6 6 LEU CA C 33 53.430 51.455 1.975 1
1 55 . 1 1 1 A 6 6 LEU CB C 33 41.900 45.644 -3.744 1
1 59 . 1 1 1 A 6 6 LEU N N 33 125.790 127.491 -1.701 1
1 60 . 1 1 1 A 7 7 PRO HA H 34 4.130 4.780 -0.650 1
1 67 . 1 1 1 A 7 7 PRO CA C 34 63.660 62.971 0.689 1
1 68 . 1 1 1 A 7 7 PRO CB C 34 31.970 32.652 -0.682 1
1 71 . 1 1 1 A 8 8 PHE H H 35 7.610 8.585 -0.975 1
1 72 . 1 1 1 A 8 8 PHE HA H 35 4.580 4.871 -0.291 1
1 77 . 1 1 1 A 8 8 PHE C C 35 171.110 174.635 -3.525 1
1 78 . 1 1 1 A 8 8 PHE CA C 35 57.690 56.118 1.572 1
1 79 . 1 1 1 A 8 8 PHE CB C 35 40.850 38.722 2.128 1
1 80 . 1 1 1 A 8 8 PHE N N 35 117.670 116.492 1.178 1
1 81 . 1 1 1 A 9 9 LEU H H 36 8.310 7.455 0.855 1
1 82 . 1 1 1 A 9 9 LEU HA H 36 4.420 4.640 -0.220 1
1 92 . 1 1 1 A 9 9 LEU C C 36 171.050 174.115 -3.065 1
1 93 . 1 1 1 A 9 9 LEU CA C 36 54.770 54.515 0.255 1
1 94 . 1 1 1 A 9 9 LEU CB C 36 44.230 43.679 0.551 1
1 98 . 1 1 1 A 9 9 LEU N N 36 125.150 121.647 3.503 1
1 99 . 1 1 1 A 10 10 LYS H H 37 8.130 9.258 -1.128 1
1 100 . 1 1 1 A 10 10 LYS HA H 37 5.110 5.055 0.055 1
1 109 . 1 1 1 A 10 10 LYS C C 37 172.470 175.304 -2.834 1
1 110 . 1 1 1 A 10 10 LYS CA C 37 54.730 55.117 -0.387 1
1 111 . 1 1 1 A 10 10 LYS CB C 37 35.010 34.196 0.814 1
1 115 . 1 1 1 A 10 10 LYS N N 37 123.550 127.930 -4.380 1
1 116 . 1 1 1 A 11 11 CYS H H 38 9.240 8.791 0.449 1
1 117 . 1 1 1 A 11 11 CYS HA H 38 4.890 5.428 -0.538 1
1 120 . 1 1 1 A 11 11 CYS C C 38 171.750 172.057 -0.307 1
1 121 . 1 1 1 A 11 11 CYS CA C 38 51.950 54.609 -2.659 1
1 122 . 1 1 1 A 11 11 CYS CB C 38 41.360 45.727 -4.367 1
1 123 . 1 1 1 A 11 11 CYS N N 38 121.580 123.956 -2.376 1
1 124 . 1 1 1 A 12 12 TYR H H 39 8.830 8.878 -0.048 1
1 125 . 1 1 1 A 12 12 TYR HA H 39 4.780 4.610 0.170 1
1 132 . 1 1 1 A 12 12 TYR C C 39 172.260 174.780 -2.520 1
1 133 . 1 1 1 A 12 12 TYR CA C 39 58.500 59.009 -0.509 1
1 134 . 1 1 1 A 12 12 TYR CB C 39 40.900 39.276 1.624 1
1 135 . 1 1 1 A 12 12 TYR N N 39 122.390 125.524 -3.134 1
1 136 . 1 1 1 A 13 13 CYS H H 40 7.690 7.979 -0.289 1
1 137 . 1 1 1 A 13 13 CYS HA H 40 4.420 5.676 -1.256 1
1 140 . 1 1 1 A 13 13 CYS CA C 40 53.850 53.919 -0.069 1
1 141 . 1 1 1 A 13 13 CYS CB C 40 48.920 45.273 3.647 1
1 142 . 1 1 1 A 14 14 SER H H 41 7.850 8.689 -0.839 1
1 143 . 1 1 1 A 14 14 SER HA H 41 4.160 4.918 -0.758 1
1 146 . 1 1 1 A 14 14 SER CA C 41 58.450 56.346 2.104 1
1 147 . 1 1 1 A 14 14 SER CB C 41 63.840 66.420 -2.580 1
1 148 . 1 1 1 A 14 14 SER N N 41 117.020 118.330 -1.310 1
1 149 . 1 1 1 A 16 16 HIS HA H 43 4.880 4.908 -0.028 1
1 152 . 1 1 1 A 16 16 HIS CA C 43 54.770 55.126 -0.356 1
1 153 . 1 1 1 A 16 16 HIS CB C 43 29.490 31.501 -2.011 1
1 154 . 1 1 1 A 17 17 CYS H H 44 8.560 8.688 -0.128 1
1 155 . 1 1 1 A 18 18 PRO HA H 45 4.660 4.596 0.064 1
1 160 . 1 1 1 A 18 18 PRO CA C 45 62.500 62.806 -0.306 1
1 161 . 1 1 1 A 18 18 PRO CB C 45 33.140 32.752 0.388 1
1 164 . 1 1 1 A 19 19 ASP H H 46 8.800 8.666 0.134 1
1 165 . 1 1 1 A 19 19 ASP HA H 46 4.250 4.319 -0.069 1
1 168 . 1 1 1 A 19 19 ASP C C 46 173.430 176.393 -2.963 1
1 169 . 1 1 1 A 19 19 ASP CA C 46 57.190 56.625 0.565 1
1 170 . 1 1 1 A 19 19 ASP CB C 46 40.720 40.460 0.260 1
1 171 . 1 1 1 A 19 19 ASP N N 46 120.170 121.980 -1.810 1
1 172 . 1 1 1 A 20 20 ASP H H 47 8.050 8.261 -0.211 1
1 173 . 1 1 1 A 20 20 ASP HA H 47 4.510 4.639 -0.129 1
1 176 . 1 1 1 A 20 20 ASP C C 47 173.500 175.901 -2.401 1
1 177 . 1 1 1 A 20 20 ASP CA C 47 52.840 52.909 -0.069 1
1 178 . 1 1 1 A 20 20 ASP CB C 47 39.980 39.816 0.164 1
1 179 . 1 1 1 A 20 20 ASP N N 47 114.670 115.245 -0.575 1
1 180 . 1 1 1 A 21 21 ALA H H 48 7.350 7.177 0.173 1
1 181 . 1 1 1 A 21 21 ALA HA H 48 4.280 4.278 0.002 1
1 185 . 1 1 1 A 21 21 ALA C C 48 174.490 176.352 -1.862 1
1 186 . 1 1 1 A 21 21 ALA CA C 48 53.430 52.233 1.197 1
1 187 . 1 1 1 A 21 21 ALA CB C 48 20.870 20.333 0.537 1
1 188 . 1 1 1 A 21 21 ALA N N 48 122.660 122.319 0.341 1
1 189 . 1 1 1 A 22 22 ILE H H 49 7.960 8.098 -0.138 1
1 190 . 1 1 1 A 22 22 ILE HA H 49 4.240 4.562 -0.322 1
1 199 . 1 1 1 A 22 22 ILE C C 49 173.300 176.251 -2.951 1
1 200 . 1 1 1 A 22 22 ILE CA C 49 60.230 59.217 1.013 1
1 201 . 1 1 1 A 22 22 ILE CB C 49 40.280 40.218 0.062 1
1 205 . 1 1 1 A 22 22 ILE N N 49 119.550 119.896 -0.346 1
1 206 . 1 1 1 A 23 23 ASN H H 50 9.280 9.076 0.204 1
1 207 . 1 1 1 A 23 23 ASN HA H 50 4.290 4.473 -0.183 1
1 212 . 1 1 1 A 23 23 ASN CA C 50 54.660 53.885 0.775 1
1 213 . 1 1 1 A 23 23 ASN CB C 50 37.620 36.184 1.436 1
1 214 . 1 1 1 A 23 23 ASN N N 50 125.470 125.075 0.395 1
1 216 . 1 1 1 A 24 24 ASN H H 51 8.850 8.469 0.381 1
1 217 . 1 1 1 A 24 24 ASN HA H 51 4.070 4.035 0.035 1
1 222 . 1 1 1 A 24 24 ASN C C 51 170.660 173.583 -2.923 1
1 223 . 1 1 1 A 24 24 ASN CA C 51 56.080 54.353 1.727 1
1 224 . 1 1 1 A 24 24 ASN CB C 51 37.430 36.776 0.654 1
1 226 . 1 1 1 A 25 25 THR H H 52 7.190 7.532 -0.342 1
1 227 . 1 1 1 A 25 25 THR HA H 52 5.370 4.993 0.377 1
1 232 . 1 1 1 A 25 25 THR C C 52 169.910 172.650 -2.740 1
1 233 . 1 1 1 A 25 25 THR CA C 52 59.890 59.414 0.476 1
1 234 . 1 1 1 A 25 25 THR CB C 52 73.940 72.527 1.413 1
1 236 . 1 1 1 A 25 25 THR N N 52 105.820 106.073 -0.253 1
1 237 . 1 1 1 A 26 26 CYS H H 53 8.960 9.249 -0.289 1
1 238 . 1 1 1 A 26 26 CYS HA H 53 5.000 5.480 -0.480 1
1 241 . 1 1 1 A 26 26 CYS C C 53 168.780 171.768 -2.988 1
1 242 . 1 1 1 A 26 26 CYS CA C 53 52.560 53.623 -1.063 1
1 243 . 1 1 1 A 26 26 CYS CB C 53 48.650 46.698 1.952 1
1 244 . 1 1 1 A 26 26 CYS N N 53 116.070 119.799 -3.729 1
1 245 . 1 1 1 A 27 27 ILE H H 54 8.530 8.554 -0.024 1
1 246 . 1 1 1 A 27 27 ILE HA H 54 5.210 5.176 0.034 1
1 256 . 1 1 1 A 27 27 ILE C C 54 173.400 174.295 -0.895 1
1 257 . 1 1 1 A 27 27 ILE CA C 54 59.200 60.542 -1.342 1
1 258 . 1 1 1 A 27 27 ILE CB C 54 40.220 40.509 -0.289 1
1 262 . 1 1 1 A 27 27 ILE N N 54 120.170 121.607 -1.437 1
1 263 . 1 1 1 A 28 28 THR H H 55 9.200 8.687 0.513 1
1 264 . 1 1 1 A 28 28 THR HA H 55 4.800 5.168 -0.368 1
1 269 . 1 1 1 A 28 28 THR C C 55 168.370 172.708 -4.338 1
1 270 . 1 1 1 A 28 28 THR CA C 55 60.060 59.735 0.325 1
1 271 . 1 1 1 A 28 28 THR CB C 55 70.490 71.465 -0.975 1
1 273 . 1 1 1 A 28 28 THR N N 55 120.750 120.485 0.265 1
1 274 . 1 1 1 A 29 29 ASN H H 56 8.000 8.456 -0.456 1
1 275 . 1 1 1 A 29 29 ASN HA H 56 4.920 4.896 0.024 1
1 280 . 1 1 1 A 29 29 ASN C C 56 172.880 175.848 -2.968 1
1 281 . 1 1 1 A 29 29 ASN CA C 56 52.620 51.587 1.033 1
1 282 . 1 1 1 A 29 29 ASN CB C 56 38.920 38.180 0.740 1
1 283 . 1 1 1 A 29 29 ASN N N 56 120.880 123.283 -2.403 1
1 285 . 1 1 1 A 30 30 GLY H H 57 8.510 7.780 0.730 1
1 286 . 1 1 1 A 30 30 GLY HA2 H 57 4.140 3.861 0.279 1
1 287 . 1 1 1 A 30 30 GLY HA3 H 57 3.960 3.868 0.092 1
1 288 . 1 1 1 A 30 30 GLY C C 57 169.020 172.712 -3.692 1
1 289 . 1 1 1 A 30 30 GLY CA C 57 45.800 44.555 1.245 1
1 290 . 1 1 1 A 30 30 GLY N N 57 111.380 109.418 1.962 1
1 291 . 1 1 1 A 31 31 HIS H H 58 8.560 7.728 0.832 1
1 292 . 1 1 1 A 31 31 HIS HA H 58 4.710 5.295 -0.585 1
1 295 . 1 1 1 A 31 31 HIS C C 58 171.200 174.205 -3.005 1
1 296 . 1 1 1 A 31 31 HIS CA C 58 56.140 54.580 1.560 1
1 297 . 1 1 1 A 31 31 HIS CB C 58 34.650 33.702 0.948 1
1 298 . 1 1 1 A 31 31 HIS N N 58 120.870 117.826 3.044 1
1 299 . 1 1 1 A 32 32 CYS H H 59 8.710 8.612 0.098 1
1 300 . 1 1 1 A 32 32 CYS HA H 59 5.700 5.357 0.343 1
1 303 . 1 1 1 A 32 32 CYS C C 59 173.470 173.344 0.126 1
1 304 . 1 1 1 A 32 32 CYS CA C 59 52.340 54.938 -2.598 1
1 305 . 1 1 1 A 32 32 CYS CB C 59 36.950 44.517 -7.567 1
1 306 . 1 1 1 A 32 32 CYS N N 59 117.290 119.876 -2.586 1
1 307 . 1 1 1 A 33 33 PHE H H 60 8.700 8.384 0.316 1
1 308 . 1 1 1 A 33 33 PHE HA H 60 6.110 5.704 0.406 1
1 316 . 1 1 1 A 33 33 PHE C C 60 172.200 172.881 -0.681 1
1 317 . 1 1 1 A 33 33 PHE CA C 60 56.630 55.500 1.130 1
1 318 . 1 1 1 A 33 33 PHE CB C 60 44.830 41.756 3.074 1
1 319 . 1 1 1 A 33 33 PHE N N 60 116.070 120.054 -3.984 1
1 320 . 1 1 1 A 34 34 ALA H H 61 9.200 8.596 0.604 1
1 321 . 1 1 1 A 34 34 ALA HA H 61 5.000 4.938 0.062 1
1 325 . 1 1 1 A 34 34 ALA C C 61 171.610 175.664 -4.054 1
1 326 . 1 1 1 A 34 34 ALA CA C 61 52.320 51.495 0.825 1
1 327 . 1 1 1 A 34 34 ALA CB C 61 23.950 23.276 0.674 1
1 328 . 1 1 1 A 34 34 ALA N N 61 125.170 121.134 4.036 1
1 329 . 1 1 1 A 35 35 ILE H H 62 9.470 8.656 0.814 1
1 330 . 1 1 1 A 35 35 ILE HA H 62 5.350 4.922 0.428 1
1 340 . 1 1 1 A 35 35 ILE C C 62 170.850 173.322 -2.472 1
1 341 . 1 1 1 A 35 35 ILE CA C 62 59.260 59.450 -0.190 1
1 342 . 1 1 1 A 35 35 ILE CB C 62 43.660 42.361 1.299 1
1 346 . 1 1 1 A 35 35 ILE N N 62 120.630 119.489 1.141 1
1 347 . 1 1 1 A 36 36 ILE H H 63 8.500 8.769 -0.269 1
1 348 . 1 1 1 A 36 36 ILE HA H 63 5.240 5.274 -0.034 1
1 358 . 1 1 1 A 36 36 ILE C C 63 170.510 173.051 -2.541 1
1 359 . 1 1 1 A 36 36 ILE CA C 63 59.130 59.243 -0.113 1
1 360 . 1 1 1 A 36 36 ILE CB C 63 41.670 42.389 -0.719 1
1 364 . 1 1 1 A 36 36 ILE N N 63 125.830 126.143 -0.313 1
1 365 . 1 1 1 A 37 37 GLU H H 64 8.450 8.764 -0.314 1
1 366 . 1 1 1 A 37 37 GLU HA H 64 5.010 4.909 0.101 1
1 371 . 1 1 1 A 37 37 GLU C C 64 171.410 174.483 -3.073 1
1 372 . 1 1 1 A 37 37 GLU CA C 64 54.830 55.166 -0.336 1
1 373 . 1 1 1 A 37 37 GLU CB C 64 34.320 34.007 0.313 1
1 375 . 1 1 1 A 37 37 GLU N N 64 124.570 127.031 -2.461 1
1 376 . 1 1 1 A 38 38 GLU H H 65 8.300 8.455 -0.155 1
1 377 . 1 1 1 A 38 38 GLU HA H 65 5.040 4.983 0.057 1
1 382 . 1 1 1 A 38 38 GLU C C 65 172.920 175.931 -3.011 1
1 383 . 1 1 1 A 38 38 GLU CA C 65 54.760 55.081 -0.321 1
1 384 . 1 1 1 A 38 38 GLU CB C 65 33.470 31.560 1.910 1
1 386 . 1 1 1 A 38 38 GLU N N 65 123.960 124.120 -0.160 1
1 387 . 1 1 1 A 39 39 ASP H H 66 8.470 8.273 0.197 1
1 388 . 1 1 1 A 39 39 ASP HA H 66 4.750 4.898 -0.148 1
1 391 . 1 1 1 A 39 39 ASP C C 66 174.940 177.747 -2.807 1
1 392 . 1 1 1 A 39 39 ASP CA C 66 52.890 52.551 0.339 1
1 393 . 1 1 1 A 39 39 ASP CB C 66 41.990 41.429 0.561 1
1 394 . 1 1 1 A 39 39 ASP N N 66 124.870 126.987 -2.117 1
1 395 . 1 1 1 A 40 40 ASP H H 67 8.380 8.911 -0.531 1
1 396 . 1 1 1 A 40 40 ASP HA H 67 4.310 4.467 -0.157 1
1 399 . 1 1 1 A 40 40 ASP C C 67 174.210 176.947 -2.737 1
1 400 . 1 1 1 A 40 40 ASP CA C 67 56.350 56.096 0.254 1
1 401 . 1 1 1 A 40 40 ASP CB C 67 40.510 40.001 0.509 1
1 402 . 1 1 1 A 40 40 ASP N N 67 116.220 118.640 -2.420 1
1 403 . 1 1 1 A 41 41 GLN H H 68 8.200 7.800 0.400 1
1 404 . 1 1 1 A 41 41 GLN HA H 68 4.380 4.372 0.008 1
1 411 . 1 1 1 A 41 41 GLN C C 68 173.740 176.425 -2.685 1
1 412 . 1 1 1 A 41 41 GLN CA C 68 55.590 55.636 -0.046 1
1 413 . 1 1 1 A 41 41 GLN CB C 68 29.780 29.528 0.252 1
1 415 . 1 1 1 A 41 41 GLN N N 68 117.190 117.489 -0.299 1
1 417 . 1 1 1 A 42 42 GLY H H 69 8.000 8.197 -0.197 1
1 418 . 1 1 1 A 42 42 GLY HA2 H 69 3.630 3.916 -0.286 1
1 419 . 1 1 1 A 42 42 GLY HA3 H 69 4.140 3.917 0.223 1
1 420 . 1 1 1 A 42 42 GLY C C 69 171.650 174.294 -2.644 1
1 421 . 1 1 1 A 42 42 GLY CA C 69 45.730 45.710 0.020 1
1 422 . 1 1 1 A 42 42 GLY N N 69 108.130 108.784 -0.654 1
1 423 . 1 1 1 A 43 43 GLU H H 70 8.410 7.539 0.871 1
1 424 . 1 1 1 A 43 43 GLU HA H 70 4.450 4.570 -0.120 1
1 429 . 1 1 1 A 43 43 GLU C C 70 173.970 176.505 -2.535 1
1 430 . 1 1 1 A 43 43 GLU CA C 70 56.020 55.447 0.573 1
1 431 . 1 1 1 A 43 43 GLU CB C 70 30.300 31.125 -0.825 1
1 433 . 1 1 1 A 43 43 GLU N N 70 122.300 119.710 2.590 1
1 434 . 1 1 1 A 44 44 THR H H 71 8.620 8.493 0.127 1
1 435 . 1 1 1 A 44 44 THR HA H 71 5.210 5.196 0.014 1
1 440 . 1 1 1 A 44 44 THR C C 71 172.160 173.934 -1.774 1
1 441 . 1 1 1 A 44 44 THR CA C 71 61.600 60.790 0.810 1
1 442 . 1 1 1 A 44 44 THR CB C 71 71.000 70.123 0.877 1
1 444 . 1 1 1 A 44 44 THR N N 71 117.330 114.092 3.238 1
1 445 . 1 1 1 A 45 45 THR H H 72 8.760 8.661 0.099 1
1 446 . 1 1 1 A 45 45 THR HA H 72 4.500 5.064 -0.564 1
1 451 . 1 1 1 A 45 45 THR C C 72 169.600 173.568 -3.968 1
1 452 . 1 1 1 A 45 45 THR CA C 72 61.270 60.584 0.686 1
1 453 . 1 1 1 A 45 45 THR CB C 72 72.320 70.053 2.267 1
1 455 . 1 1 1 A 45 45 THR N N 72 117.840 117.489 0.351 1
1 456 . 1 1 1 A 46 46 LEU H H 73 8.400 9.163 -0.763 1
1 457 . 1 1 1 A 46 46 LEU HA H 73 5.250 5.070 0.180 1
1 464 . 1 1 1 A 46 46 LEU C C 73 173.150 175.527 -2.377 1
1 465 . 1 1 1 A 46 46 LEU CA C 73 54.300 53.702 0.598 1
1 466 . 1 1 1 A 46 46 LEU CB C 73 44.860 42.827 2.033 1
1 470 . 1 1 1 A 46 46 LEU N N 73 126.020 127.673 -1.653 1
1 471 . 1 1 1 A 47 47 ALA HA H 74 4.760 5.432 -0.672 1
1 475 . 1 1 1 A 47 47 ALA C C 74 172.740 175.429 -2.689 1
1 476 . 1 1 1 A 47 47 ALA CA C 74 51.440 50.759 0.681 1
1 477 . 1 1 1 A 47 47 ALA CB C 74 23.350 23.781 -0.431 1
1 478 . 1 1 1 A 48 48 SER H H 75 8.700 8.340 0.360 1
1 479 . 1 1 1 A 48 48 SER HA H 75 4.500 4.774 -0.274 1
1 482 . 1 1 1 A 48 48 SER C C 75 171.590 173.047 -1.457 1
1 483 . 1 1 1 A 48 48 SER CA C 75 57.740 56.418 1.322 1
1 484 . 1 1 1 A 48 48 SER CB C 75 65.700 66.244 -0.544 1
1 485 . 1 1 1 A 48 48 SER N N 75 111.400 113.429 -2.029 1
1 486 . 1 1 1 A 49 49 GLY H H 76 6.440 7.155 -0.715 1
1 487 . 1 1 1 A 49 49 GLY HA2 H 76 3.850 3.769 0.081 1
1 488 . 1 1 1 A 49 49 GLY HA3 H 76 3.730 3.845 -0.115 1
1 489 . 1 1 1 A 49 49 GLY C C 76 167.890 171.032 -3.142 1
1 490 . 1 1 1 A 49 49 GLY CA C 76 47.420 45.452 1.968 1
1 491 . 1 1 1 A 49 49 GLY N N 76 105.480 105.708 -0.228 1
1 492 . 1 1 1 A 50 50 CYS H H 77 8.740 8.279 0.461 1
1 493 . 1 1 1 A 50 50 CYS HA H 77 4.950 5.296 -0.346 1
1 496 . 1 1 1 A 50 50 CYS C C 77 170.670 172.457 -1.787 1
1 497 . 1 1 1 A 50 50 CYS CA C 77 60.030 54.820 5.210 1
1 498 . 1 1 1 A 50 50 CYS CB C 77 46.100 43.640 2.460 1
1 499 . 1 1 1 A 50 50 CYS N N 77 118.960 118.910 0.050 1
1 500 . 1 1 1 A 51 51 MET H H 78 9.240 9.114 0.126 1
1 501 . 1 1 1 A 51 51 MET HA H 78 4.760 5.046 -0.286 1
1 509 . 1 1 1 A 51 51 MET C C 78 171.990 176.016 -4.026 1
1 510 . 1 1 1 A 51 51 MET CA C 78 54.630 54.208 0.422 1
1 511 . 1 1 1 A 51 51 MET CB C 78 35.810 34.941 0.869 1
1 514 . 1 1 1 A 51 51 MET N N 78 122.340 125.814 -3.474 1
1 515 . 1 1 1 A 52 52 LYS H H 79 8.430 8.383 0.047 1
1 516 . 1 1 1 A 52 52 LYS HA H 79 4.160 4.253 -0.093 1
1 525 . 1 1 1 A 52 52 LYS C C 79 173.040 175.844 -2.804 1
1 526 . 1 1 1 A 52 52 LYS CA C 79 57.120 55.898 1.222 1
1 527 . 1 1 1 A 52 52 LYS CB C 79 33.720 32.803 0.917 1
1 531 . 1 1 1 A 52 52 LYS N N 79 125.030 122.491 2.539 1
1 532 . 1 1 1 A 53 53 TYR H H 80 8.400 8.730 -0.330 1
1 533 . 1 1 1 A 53 53 TYR HA H 80 4.200 4.403 -0.203 1
1 536 . 1 1 1 A 53 53 TYR C C 80 173.370 175.405 -2.035 1
1 537 . 1 1 1 A 53 53 TYR CA C 80 59.910 59.156 0.754 1
1 538 . 1 1 1 A 53 53 TYR CB C 80 39.000 39.170 -0.170 1
1 539 . 1 1 1 A 53 53 TYR N N 80 121.420 120.989 0.431 1
1 540 . 1 1 1 A 54 54 GLU H H 81 8.490 8.502 -0.012 1
1 541 . 1 1 1 A 54 54 GLU HA H 81 4.170 4.574 -0.404 1
1 545 . 1 1 1 A 54 54 GLU C C 81 173.240 176.516 -3.276 1
1 546 . 1 1 1 A 54 54 GLU CA C 81 56.440 56.625 -0.185 1
1 547 . 1 1 1 A 54 54 GLU CB C 81 30.860 32.329 -1.469 1
1 549 . 1 1 1 A 54 54 GLU N N 81 123.790 124.522 -0.732 1
1 550 . 1 1 1 A 55 55 GLY H H 82 7.200 7.321 -0.121 1
1 551 . 1 1 1 A 55 55 GLY HA2 H 82 4.050 3.846 0.204 1
1 552 . 1 1 1 A 55 55 GLY HA3 H 82 3.690 3.940 -0.250 1
1 553 . 1 1 1 A 55 55 GLY C C 82 171.520 174.699 -3.179 1
1 554 . 1 1 1 A 55 55 GLY CA C 82 45.680 45.253 0.427 1
1 555 . 1 1 1 A 55 55 GLY N N 82 108.400 107.041 1.359 1
1 556 . 1 1 1 A 56 56 SER H H 83 8.140 7.890 0.250 1
1 557 . 1 1 1 A 56 56 SER HA H 83 4.280 4.367 -0.087 1
1 560 . 1 1 1 A 56 56 SER C C 83 171.900 175.103 -3.203 1
1 561 . 1 1 1 A 56 56 SER CA C 83 59.270 59.435 -0.165 1
1 562 . 1 1 1 A 56 56 SER CB C 83 63.960 63.509 0.451 1
1 563 . 1 1 1 A 56 56 SER N N 83 114.650 116.543 -1.893 1
1 564 . 1 1 1 A 57 57 ASP H H 84 8.340 9.013 -0.673 1
1 565 . 1 1 1 A 57 57 ASP HA H 84 4.430 4.660 -0.230 1
1 568 . 1 1 1 A 57 57 ASP C C 84 173.100 176.247 -3.147 1
1 569 . 1 1 1 A 57 57 ASP CA C 84 54.950 55.877 -0.927 1
1 570 . 1 1 1 A 57 57 ASP CB C 84 40.840 41.067 -0.227 1
1 571 . 1 1 1 A 57 57 ASP N N 84 121.230 124.672 -3.442 1
1 572 . 1 1 1 A 58 58 PHE H H 85 7.730 7.658 0.072 1
1 573 . 1 1 1 A 58 58 PHE HA H 85 4.260 4.642 -0.382 1
1 581 . 1 1 1 A 58 58 PHE C C 85 172.590 173.305 -0.715 1
1 582 . 1 1 1 A 58 58 PHE CA C 85 58.520 57.398 1.122 1
1 583 . 1 1 1 A 58 58 PHE CB C 85 39.840 39.381 0.459 1
1 584 . 1 1 1 A 58 58 PHE N N 85 118.920 119.014 -0.094 1
1 585 . 1 1 1 A 59 59 GLN H H 86 7.790 8.062 -0.272 1
1 586 . 1 1 1 A 59 59 GLN HA H 86 4.070 4.637 -0.567 1
1 593 . 1 1 1 A 59 59 GLN C C 86 172.550 174.346 -1.796 1
1 594 . 1 1 1 A 59 59 GLN CA C 86 56.000 54.541 1.459 1
1 595 . 1 1 1 A 59 59 GLN CB C 86 30.600 30.600 0.000 1
1 597 . 1 1 1 A 59 59 GLN N N 86 120.280 123.195 -2.915 1
1 599 . 1 1 1 A 60 60 CYS H H 87 8.100 8.703 -0.603 1
1 600 . 1 1 1 A 60 60 CYS HA H 87 4.140 5.152 -1.012 1
1 603 . 1 1 1 A 60 60 CYS C C 87 170.910 173.492 -2.582 1
1 604 . 1 1 1 A 60 60 CYS CA C 87 56.810 54.671 2.139 1
1 605 . 1 1 1 A 60 60 CYS CB C 87 40.780 42.562 -1.782 1
1 606 . 1 1 1 A 60 60 CYS N N 87 118.790 123.788 -4.998 1
1 607 . 1 1 1 A 61 61 LYS H H 88 7.610 8.621 -1.011 1
1 608 . 1 1 1 A 61 61 LYS HA H 88 4.280 4.549 -0.269 1
1 617 . 1 1 1 A 61 61 LYS C C 88 172.330 175.524 -3.194 1
1 618 . 1 1 1 A 61 61 LYS CA C 88 56.210 55.733 0.477 1
1 619 . 1 1 1 A 61 61 LYS CB C 88 34.210 33.979 0.231 1
1 623 . 1 1 1 A 61 61 LYS N N 88 120.330 125.130 -4.800 1
1 624 . 1 1 1 A 62 62 ASP H H 89 8.180 8.963 -0.783 1
1 625 . 1 1 1 A 62 62 ASP HA H 89 4.500 5.219 -0.719 1
1 628 . 1 1 1 A 62 62 ASP C C 89 172.970 174.640 -1.670 1
1 629 . 1 1 1 A 62 62 ASP CA C 89 54.200 52.157 2.043 1
1 630 . 1 1 1 A 62 62 ASP CB C 89 42.090 44.946 -2.856 1
1 631 . 1 1 1 A 62 62 ASP N N 89 121.190 118.469 2.721 1
1 632 . 1 1 1 A 63 63 SER H H 90 8.190 8.643 -0.453 1
1 633 . 1 1 1 A 63 63 SER HA H 90 4.640 4.731 -0.091 1
1 636 . 1 1 1 A 63 63 SER C C 90 170.240 174.031 -3.791 1
1 637 . 1 1 1 A 63 63 SER CA C 90 56.600 57.564 -0.964 1
1 638 . 1 1 1 A 63 63 SER CB C 90 63.770 62.782 0.988 1
1 639 . 1 1 1 A 63 63 SER N N 90 116.710 117.203 -0.493 1
1 640 . 1 1 1 A 64 64 PRO HA H 91 4.350 4.625 -0.275 1
1 647 . 1 1 1 A 64 64 PRO CA C 91 63.800 62.584 1.216 1
1 648 . 1 1 1 A 64 64 PRO CB C 91 32.410 29.284 3.126 1
1 651 . 1 1 1 A 65 65 LYS H H 92 8.240 8.142 0.098 1
1 652 . 1 1 1 A 65 65 LYS HA H 92 4.210 4.635 -0.425 1
1 661 . 1 1 1 A 65 65 LYS C C 92 173.330 176.360 -3.030 1
1 662 . 1 1 1 A 65 65 LYS CA C 92 56.410 55.478 0.932 1
1 663 . 1 1 1 A 65 65 LYS CB C 92 33.230 32.955 0.275 1
1 667 . 1 1 1 A 65 65 LYS N N 92 120.180 118.255 1.925 1
1 668 . 1 1 1 A 66 66 ALA H H 93 8.040 7.479 0.561 1
1 669 . 1 1 1 A 66 66 ALA HA H 93 4.210 4.569 -0.359 1
1 673 . 1 1 1 A 66 66 ALA C C 93 174.580 177.102 -2.522 1
1 674 . 1 1 1 A 66 66 ALA CA C 93 53.020 51.723 1.297 1
1 675 . 1 1 1 A 66 66 ALA CB C 93 19.760 19.756 0.004 1
1 676 . 1 1 1 A 66 66 ALA N N 93 124.050 122.508 1.542 1
1 677 . 1 1 1 A 67 67 GLN H H 94 8.320 8.814 -0.494 1
1 678 . 1 1 1 A 67 67 GLN HA H 94 4.190 4.692 -0.502 1
1 685 . 1 1 1 A 67 67 GLN C C 94 172.780 174.349 -1.569 1
1 686 . 1 1 1 A 67 67 GLN CA C 94 56.750 54.557 2.193 1
1 687 . 1 1 1 A 67 67 GLN CB C 94 29.100 29.207 -0.107 1
1 689 . 1 1 1 A 67 67 GLN N N 94 117.930 124.598 -6.668 1
1 691 . 1 1 1 A 68 68 LEU H H 95 7.730 7.637 0.093 1
1 692 . 1 1 1 A 68 68 LEU HA H 95 4.360 4.851 -0.491 1
1 702 . 1 1 1 A 68 68 LEU C C 95 174.270 174.363 -0.093 1
1 703 . 1 1 1 A 68 68 LEU CA C 95 54.970 53.989 0.981 1
1 704 . 1 1 1 A 68 68 LEU CB C 95 43.120 45.648 -2.528 1
1 708 . 1 1 1 A 68 68 LEU N N 95 120.470 124.593 -4.123 1
1 709 . 1 1 1 A 69 69 ARG H H 96 8.600 8.415 0.185 1
1 710 . 1 1 1 A 69 69 ARG HA H 96 4.230 4.936 -0.706 1
1 718 . 1 1 1 A 69 69 ARG C C 96 171.700 175.606 -3.906 1
1 719 . 1 1 1 A 69 69 ARG CA C 96 56.570 55.455 1.115 1
1 720 . 1 1 1 A 69 69 ARG CB C 96 30.660 31.231 -0.571 1
1 723 . 1 1 1 A 69 69 ARG N N 96 121.670 124.236 -2.566 1
1 725 . 1 1 1 A 70 70 ARG H H 97 7.800 8.775 -0.975 1
1 726 . 1 1 1 A 70 70 ARG HA H 97 5.170 5.179 -0.009 1
1 734 . 1 1 1 A 70 70 ARG C C 97 172.120 173.351 -1.231 1
1 735 . 1 1 1 A 70 70 ARG CA C 97 55.260 54.656 0.604 1
1 736 . 1 1 1 A 70 70 ARG CB C 97 34.040 34.124 -0.084 1
1 739 . 1 1 1 A 70 70 ARG N N 97 120.130 121.139 -1.009 1
1 741 . 1 1 1 A 71 71 THR H H 98 8.610 8.111 0.499 1
1 742 . 1 1 1 A 71 71 THR HA H 98 4.600 5.187 -0.587 1
1 747 . 1 1 1 A 71 71 THR C C 98 169.250 173.531 -4.281 1
1 748 . 1 1 1 A 71 71 THR CA C 98 62.030 61.398 0.632 1
1 749 . 1 1 1 A 71 71 THR CB C 98 71.970 71.984 -0.014 1
1 751 . 1 1 1 A 71 71 THR N N 98 118.550 113.852 4.698 1
1 752 . 1 1 1 A 72 72 ILE H H 99 8.520 8.648 -0.128 1
1 753 . 1 1 1 A 72 72 ILE HA H 99 5.080 5.049 0.031 1
1 763 . 1 1 1 A 72 72 ILE C C 99 170.930 173.031 -2.101 1
1 764 . 1 1 1 A 72 72 ILE CA C 99 59.370 59.367 0.003 1
1 765 . 1 1 1 A 72 72 ILE CB C 99 42.140 42.413 -0.273 1
1 769 . 1 1 1 A 72 72 ILE N N 99 125.230 122.729 2.501 1
1 770 . 1 1 1 A 73 73 GLU H H 100 8.860 8.728 0.132 1
1 771 . 1 1 1 A 73 73 GLU HA H 100 4.670 5.004 -0.334 1
1 776 . 1 1 1 A 73 73 GLU C C 100 172.200 174.761 -2.561 1
1 777 . 1 1 1 A 73 73 GLU CA C 100 55.840 55.127 0.713 1
1 778 . 1 1 1 A 73 73 GLU CB C 100 34.410 34.315 0.095 1
1 780 . 1 1 1 A 73 73 GLU N N 100 125.680 125.266 0.414 1
1 781 . 1 1 1 A 74 74 CYS H H 101 8.830 9.036 -0.206 1
1 782 . 1 1 1 A 74 74 CYS HA H 101 5.790 5.542 0.248 1
1 785 . 1 1 1 A 74 74 CYS C C 101 170.360 172.151 -1.791 1
1 786 . 1 1 1 A 74 74 CYS CA C 101 55.010 53.877 1.133 1
1 787 . 1 1 1 A 74 74 CYS CB C 101 45.320 46.906 -1.586 1
1 788 . 1 1 1 A 74 74 CYS N N 101 119.260 116.993 2.267 1
1 789 . 1 1 1 A 75 75 CYS H H 102 9.130 8.637 0.493 1
1 790 . 1 1 1 A 75 75 CYS HA H 102 5.000 5.154 -0.154 1
1 793 . 1 1 1 A 75 75 CYS C C 102 170.670 172.738 -2.068 1
1 794 . 1 1 1 A 75 75 CYS CA C 102 56.180 54.958 1.222 1
1 795 . 1 1 1 A 75 75 CYS CB C 102 46.090 46.191 -0.101 1
1 796 . 1 1 1 A 75 75 CYS N N 102 116.460 117.669 -1.209 1
1 797 . 1 1 1 A 76 76 ARG H H 103 9.240 8.852 0.388 1
1 798 . 1 1 1 A 76 76 ARG HA H 103 4.800 4.637 0.163 1
1 806 . 1 1 1 A 76 76 ARG C C 103 172.120 175.199 -3.079 1
1 807 . 1 1 1 A 76 76 ARG CA C 103 56.230 55.425 0.805 1
1 808 . 1 1 1 A 76 76 ARG CB C 103 32.610 30.483 2.127 1
1 811 . 1 1 1 A 76 76 ARG N N 103 122.520 122.743 -0.223 1
1 813 . 1 1 1 A 77 77 THR H H 104 7.440 7.688 -0.248 1
1 814 . 1 1 1 A 77 77 THR HA H 104 4.600 5.193 -0.593 1
1 819 . 1 1 1 A 77 77 THR C C 104 171.890 173.642 -1.752 1
1 820 . 1 1 1 A 77 77 THR CA C 104 61.270 59.510 1.760 1
1 821 . 1 1 1 A 77 77 THR CB C 104 72.490 71.971 0.519 1
1 823 . 1 1 1 A 77 77 THR N N 104 109.730 110.732 -1.002 1
1 824 . 1 1 1 A 78 78 ASN H H 105 8.590 8.767 -0.177 1
1 825 . 1 1 1 A 78 78 ASN HA H 105 4.790 4.670 0.120 1
1 830 . 1 1 1 A 78 78 ASN C C 105 174.150 175.257 -1.107 1
1 831 . 1 1 1 A 78 78 ASN CA C 105 55.870 53.718 2.152 1
1 832 . 1 1 1 A 78 78 ASN CB C 105 39.260 38.395 0.865 1
1 833 . 1 1 1 A 78 78 ASN N N 105 119.360 119.915 -0.555 1
1 835 . 1 1 1 A 79 79 LEU H H 106 9.980 8.714 1.266 1
1 836 . 1 1 1 A 79 79 LEU HA H 106 3.680 3.942 -0.262 1
1 846 . 1 1 1 A 79 79 LEU C C 106 175.050 177.418 -2.368 1
1 847 . 1 1 1 A 79 79 LEU CA C 106 56.790 56.176 0.614 1
1 848 . 1 1 1 A 79 79 LEU CB C 106 38.920 39.401 -0.481 1
1 852 . 1 1 1 A 79 79 LEU N N 106 118.230 117.499 0.731 1
1 853 . 1 1 1 A 80 80 CYS H H 107 8.250 7.912 0.338 1
1 854 . 1 1 1 A 80 80 CYS HA H 107 4.320 4.416 -0.096 1
1 857 . 1 1 1 A 80 80 CYS C C 107 172.470 175.742 -3.272 1
1 858 . 1 1 1 A 80 80 CYS CA C 107 58.370 58.918 -0.548 1
1 859 . 1 1 1 A 80 80 CYS CB C 107 46.090 41.930 4.160 1
1 860 . 1 1 1 A 80 80 CYS N N 107 115.460 116.246 -0.786 1
1 861 . 1 1 1 A 81 81 ASN H H 108 8.590 7.819 0.771 1
1 862 . 1 1 1 A 81 81 ASN HA H 108 4.430 4.615 -0.185 1
1 867 . 1 1 1 A 81 81 ASN C C 108 172.210 177.772 -5.562 1
1 868 . 1 1 1 A 81 81 ASN CA C 108 53.320 55.312 -1.992 1
1 869 . 1 1 1 A 81 81 ASN CB C 108 37.290 38.560 -1.270 1
1 870 . 1 1 1 A 81 81 ASN N N 108 118.040 120.409 -2.369 1
1 872 . 1 1 1 A 82 82 GLN H H 109 7.490 8.060 -0.570 1
1 873 . 1 1 1 A 82 82 GLN HA H 109 3.380 3.920 -0.540 1
1 880 . 1 1 1 A 82 82 GLN C C 109 172.300 176.999 -4.699 1
1 881 . 1 1 1 A 82 82 GLN CA C 109 58.940 58.377 0.563 1
1 882 . 1 1 1 A 82 82 GLN CB C 109 28.770 27.935 0.835 1
1 884 . 1 1 1 A 82 82 GLN N N 109 121.350 120.294 1.056 1
1 886 . 1 1 1 A 83 83 TYR H H 110 7.830 7.237 0.593 1
1 887 . 1 1 1 A 83 83 TYR HA H 110 4.590 4.711 -0.121 1
1 892 . 1 1 1 A 83 83 TYR CA C 110 56.490 57.319 -0.829 1
1 893 . 1 1 1 A 83 83 TYR CB C 110 38.400 38.166 0.234 1
1 894 . 1 1 1 A 83 83 TYR N N 110 114.600 116.655 -2.055 1
1 895 . 1 1 1 A 84 84 LEU H H 111 6.610 6.987 -0.377 1
1 896 . 1 1 1 A 84 84 LEU HA H 111 4.170 4.908 -0.738 1
1 905 . 1 1 1 A 84 84 LEU C C 111 172.880 174.402 -1.522 1
1 906 . 1 1 1 A 84 84 LEU CA C 111 55.250 53.840 1.410 1
1 907 . 1 1 1 A 84 84 LEU CB C 111 43.400 44.713 -1.313 1
1 911 . 1 1 1 A 84 84 LEU N N 111 120.140 121.798 -1.658 1
1 912 . 1 1 1 A 85 85 GLN H H 112 8.780 9.020 -0.240 1
1 913 . 1 1 1 A 85 85 GLN HA H 112 4.570 4.902 -0.332 1
1 920 . 1 1 1 A 85 85 GLN C C 112 169.480 174.277 -4.797 1
1 921 . 1 1 1 A 85 85 GLN CA C 112 53.110 52.659 0.451 1
1 922 . 1 1 1 A 85 85 GLN CB C 112 30.000 30.412 -0.412 1
1 924 . 1 1 1 A 85 85 GLN N N 112 122.790 127.733 -4.943 1
1 926 . 1 1 1 A 86 86 PRO HA H 113 4.400 4.747 -0.347 1
1 931 . 1 1 1 A 86 86 PRO CA C 113 63.040 62.910 0.130 1
1 932 . 1 1 1 A 86 86 PRO CB C 113 32.400 32.195 0.205 1
1 935 . 1 1 1 A 87 87 THR H H 114 8.180 8.571 -0.391 1
1 936 . 1 1 1 A 87 87 THR HA H 114 4.400 5.040 -0.640 1
1 941 . 1 1 1 A 87 87 THR C C 114 172.180 173.345 -1.165 1
1 942 . 1 1 1 A 87 87 THR CA C 114 60.960 59.739 1.221 1
1 943 . 1 1 1 A 87 87 THR CB C 114 71.290 72.108 -0.818 1
1 945 . 1 1 1 A 87 87 THR N N 114 111.930 112.488 -0.558 1
1 946 . 1 1 1 A 88 88 LEU H H 115 8.580 8.615 -0.035 1
1 947 . 1 1 1 A 88 88 LEU HA H 115 4.300 4.818 -0.518 1
1 956 . 1 1 1 A 88 88 LEU C C 115 171.740 174.737 -2.997 1
1 957 . 1 1 1 A 88 88 LEU CA C 115 53.230 53.763 -0.533 1
1 958 . 1 1 1 A 88 88 LEU CB C 115 41.900 41.045 0.855 1
1 962 . 1 1 1 A 88 88 LEU N N 115 125.290 124.555 0.735 1
1 963 . 1 1 1 A 89 89 PRO HA H 116 4.630 4.664 -0.034 1
1 970 . 1 1 1 A 89 89 PRO CA C 116 61.580 61.518 0.062 1
1 971 . 1 1 1 A 89 89 PRO CB C 116 30.980 31.550 -0.570 1
1 974 . 1 1 1 A 90 90 PRO HA H 117 4.350 4.569 -0.219 1
1 977 . 1 1 1 A 90 90 PRO CA C 117 63.010 62.360 0.650 1
1 978 . 1 1 1 A 90 90 PRO CB C 117 32.300 32.332 -0.032 1
1 981 . 1 1 1 A 91 91 VAL H H 118 8.190 8.567 -0.377 1
1 982 . 1 1 1 A 91 91 VAL HA H 118 3.900 4.421 -0.521 1
1 990 . 1 1 1 A 91 91 VAL C C 118 173.270 175.160 -1.890 1
1 991 . 1 1 1 A 91 91 VAL CA C 118 62.890 62.815 0.075 1
1 992 . 1 1 1 A 91 91 VAL CB C 118 32.980 32.465 0.515 1
1 994 . 1 1 1 A 91 91 VAL N N 118 120.460 121.976 -1.516 1
1 995 . 1 1 1 A 92 92 VAL H H 119 8.180 8.439 -0.259 1
1 996 . 1 1 1 A 92 92 VAL HA H 119 4.040 4.781 -0.741 1
1 1004 . 1 1 1 A 92 92 VAL C C 119 172.960 174.406 -1.446 1
1 1005 . 1 1 1 A 92 92 VAL CA C 119 62.250 60.349 1.901 1
1 1006 . 1 1 1 A 92 92 VAL CB C 119 33.280 36.108 -2.828 1
1 1008 . 1 1 1 A 92 92 VAL N N 119 125.030 122.404 2.626 1
1 1009 . 1 1 1 A 93 93 ILE H H 120 8.220 8.723 -0.503 1
1 1010 . 1 1 1 A 93 93 ILE HA H 120 4.110 4.881 -0.771 1
1 1015 . 1 1 1 A 93 93 ILE C C 120 173.440 176.221 -2.781 1
1 1016 . 1 1 1 A 93 93 ILE CA C 120 61.050 59.275 1.775 1
1 1017 . 1 1 1 A 93 93 ILE CB C 120 39.030 41.862 -2.832 1
1 1021 . 1 1 1 A 93 93 ILE N N 120 125.690 120.243 5.447 1
1 1022 . 1 1 1 A 94 94 GLY H H 121 8.190 8.852 -0.662 1
1 1023 . 1 1 1 A 94 94 GLY HA2 H 121 4.050 3.926 0.124 1
1 1024 . 1 1 1 A 94 94 GLY HA3 H 121 3.940 3.933 0.007 1
1 1025 . 1 1 1 A 94 94 GLY C C 121 169.080 175.232 -6.152 1
1 1026 . 1 1 1 A 94 94 GLY CA C 121 44.850 47.739 -2.889 1
1 1027 . 1 1 1 A 94 94 GLY N N 121 113.150 111.150 2.000 1
1 1028 . 1 1 1 A 95 95 PRO HA H 122 4.270 4.694 -0.424 1
1 1032 . 1 1 1 A 95 95 PRO CA C 122 63.340 63.031 0.309 1
1 1033 . 1 1 1 A 95 95 PRO CB C 122 32.160 33.141 -0.981 1
1 1036 . 1 1 1 A 96 96 PHE H H 123 8.140 8.555 -0.415 1
1 1037 . 1 1 1 A 96 96 PHE HA H 123 4.510 5.225 -0.715 1
1 1040 . 1 1 1 A 96 96 PHE C C 123 172.700 173.129 -0.429 1
1 1041 . 1 1 1 A 96 96 PHE CA C 123 58.040 56.099 1.941 1
1 1042 . 1 1 1 A 96 96 PHE CB C 123 39.710 41.683 -1.973 1
1 1043 . 1 1 1 A 96 96 PHE N N 123 119.410 117.418 1.992 1
1 1044 . 1 1 1 A 97 97 PHE H H 124 8.000 8.720 -0.720 1
1 1045 . 1 1 1 A 97 97 PHE HA H 124 4.490 5.125 -0.635 1
1 1048 . 1 1 1 A 97 97 PHE C C 124 172.140 172.301 -0.161 1
1 1049 . 1 1 1 A 97 97 PHE CA C 124 58.000 55.809 2.191 1
1 1050 . 1 1 1 A 97 97 PHE CB C 124 40.140 41.077 -0.937 1
1 1051 . 1 1 1 A 97 97 PHE N N 124 122.180 116.051 6.129 1
1 1052 . 1 1 1 A 98 98 ASP H H 125 8.100 9.072 -0.972 1
1 1053 . 1 1 1 A 98 98 ASP HA H 125 4.400 4.757 -0.357 1
1 1056 . 1 1 1 A 98 98 ASP C C 125 173.870 176.626 -2.756 1
1 1057 . 1 1 1 A 98 98 ASP CA C 125 54.470 54.270 0.200 1
1 1058 . 1 1 1 A 98 98 ASP CB C 125 41.390 40.512 0.878 1
1 1059 . 1 1 1 A 98 98 ASP N N 125 123.000 120.554 2.446 1
1 1060 . 1 1 1 A 99 99 GLY H H 126 8.010 8.567 -0.557 1
1 1061 . 1 1 1 A 99 99 GLY HA3 H 126 3.860 4.233 -0.373 1
1 1062 . 1 1 1 A 99 99 GLY C C 126 171.640 174.194 -2.554 1
1 1063 . 1 1 1 A 99 99 GLY CA C 126 45.860 45.930 -0.070 1
1 1064 . 1 1 1 A 99 99 GLY N N 126 109.280 112.980 -3.700 1
1 1065 . 1 1 1 A 100 100 SER H H 127 8.110 7.818 0.292 1
1 1066 . 1 1 1 A 100 100 SER HA H 127 4.320 4.804 -0.484 1
1 1069 . 1 1 1 A 100 100 SER C C 127 171.520 172.360 -0.840 1
1 1070 . 1 1 1 A 100 100 SER CA C 127 59.190 57.474 1.716 1
1 1071 . 1 1 1 A 100 100 SER CB C 127 64.240 67.270 -3.030 1
1 1072 . 1 1 1 A 100 100 SER N N 127 115.760 113.304 2.456 1
1 1073 . 1 1 1 A 101 101 ILE H H 128 7.960 8.513 -0.553 1
1 1074 . 1 1 1 A 101 101 ILE HA H 128 4.110 4.389 -0.279 1
1 1084 . 1 1 1 A 101 101 ILE C C 128 172.590 176.629 -4.039 1
1 1085 . 1 1 1 A 101 101 ILE CA C 128 61.800 60.922 0.878 1
1 1086 . 1 1 1 A 101 101 ILE CB C 128 38.820 38.653 0.167 1
1 1090 . 1 1 1 A 101 101 ILE N N 128 122.050 122.783 -0.733 1
1 1 . 2 1 1 A 2 2 PRO HA H 29 4.310 4.357 -0.047 1
1 8 . 2 1 1 A 2 2 PRO CA C 29 64.380 63.226 1.154 1
1 9 . 2 1 1 A 2 2 PRO CB C 29 32.300 31.949 0.351 1
1 12 . 2 1 1 A 3 3 GLU H H 30 9.010 8.740 0.270 1
1 13 . 2 1 1 A 3 3 GLU HA H 30 4.170 4.602 -0.432 1
1 18 . 2 1 1 A 3 3 GLU C C 30 173.730 174.609 -0.879 1
1 19 . 2 1 1 A 3 3 GLU CA C 30 57.560 55.201 2.359 1
1 20 . 2 1 1 A 3 3 GLU CB C 30 29.400 30.434 -1.034 1
1 22 . 2 1 1 A 3 3 GLU N N 30 118.790 123.955 -5.165 1
1 23 . 2 1 1 A 4 4 ASP H H 31 7.940 8.805 -0.865 1
1 24 . 2 1 1 A 4 4 ASP HA H 31 4.560 4.676 -0.116 1
1 27 . 2 1 1 A 4 4 ASP C C 31 173.600 174.598 -0.998 1
1 28 . 2 1 1 A 4 4 ASP CA C 31 54.940 53.427 1.513 1
1 29 . 2 1 1 A 4 4 ASP CB C 31 41.650 39.446 2.204 1
1 30 . 2 1 1 A 4 4 ASP N N 31 119.920 125.293 -5.373 1
1 31 . 2 1 1 A 5 5 THR H H 32 7.810 7.865 -0.055 1
1 32 . 2 1 1 A 5 5 THR HA H 32 4.160 4.794 -0.634 1
1 37 . 2 1 1 A 5 5 THR C C 32 171.630 173.351 -1.721 1
1 38 . 2 1 1 A 5 5 THR CA C 32 62.410 61.413 0.997 1
1 39 . 2 1 1 A 5 5 THR CB C 32 70.040 71.686 -1.646 1
1 41 . 2 1 1 A 5 5 THR N N 32 113.570 120.014 -6.444 1
1 42 . 2 1 1 A 6 6 LEU H H 33 8.100 8.924 -0.824 1
1 43 . 2 1 1 A 6 6 LEU HA H 33 4.490 4.711 -0.221 1
1 53 . 2 1 1 A 6 6 LEU C C 33 172.440 175.037 -2.597 1
1 54 . 2 1 1 A 6 6 LEU CA C 33 53.430 53.352 0.078 1
1 55 . 2 1 1 A 6 6 LEU CB C 33 41.900 41.453 0.447 1
1 59 . 2 1 1 A 6 6 LEU N N 33 125.790 128.447 -2.657 1
1 60 . 2 1 1 A 7 7 PRO HA H 34 4.130 4.529 -0.399 1
1 67 . 2 1 1 A 7 7 PRO CA C 34 63.660 62.936 0.724 1
1 68 . 2 1 1 A 7 7 PRO CB C 34 31.970 31.943 0.027 1
1 71 . 2 1 1 A 8 8 PHE H H 35 7.610 8.365 -0.755 1
1 72 . 2 1 1 A 8 8 PHE HA H 35 4.580 4.816 -0.236 1
1 77 . 2 1 1 A 8 8 PHE C C 35 171.110 174.503 -3.393 1
1 78 . 2 1 1 A 8 8 PHE CA C 35 57.690 56.024 1.666 1
1 79 . 2 1 1 A 8 8 PHE CB C 35 40.850 38.619 2.231 1
1 80 . 2 1 1 A 8 8 PHE N N 35 117.670 117.243 0.427 1
1 81 . 2 1 1 A 9 9 LEU H H 36 8.310 7.778 0.532 1
1 82 . 2 1 1 A 9 9 LEU HA H 36 4.420 4.809 -0.389 1
1 92 . 2 1 1 A 9 9 LEU C C 36 171.050 174.023 -2.973 1
1 93 . 2 1 1 A 9 9 LEU CA C 36 54.770 54.474 0.296 1
1 94 . 2 1 1 A 9 9 LEU CB C 36 44.230 45.235 -1.005 1
1 98 . 2 1 1 A 9 9 LEU N N 36 125.150 121.996 3.154 1
1 99 . 2 1 1 A 10 10 LYS H H 37 8.130 9.341 -1.211 1
1 100 . 2 1 1 A 10 10 LYS HA H 37 5.110 5.196 -0.086 1
1 109 . 2 1 1 A 10 10 LYS C C 37 172.470 175.001 -2.531 1
1 110 . 2 1 1 A 10 10 LYS CA C 37 54.730 55.068 -0.338 1
1 111 . 2 1 1 A 10 10 LYS CB C 37 35.010 34.494 0.516 1
1 115 . 2 1 1 A 10 10 LYS N N 37 123.550 128.071 -4.521 1
1 116 . 2 1 1 A 11 11 CYS H H 38 9.240 8.851 0.389 1
1 117 . 2 1 1 A 11 11 CYS HA H 38 4.890 5.458 -0.568 1
1 120 . 2 1 1 A 11 11 CYS C C 38 171.750 171.953 -0.203 1
1 121 . 2 1 1 A 11 11 CYS CA C 38 51.950 54.811 -2.861 1
1 122 . 2 1 1 A 11 11 CYS CB C 38 41.360 45.245 -3.885 1
1 123 . 2 1 1 A 11 11 CYS N N 38 121.580 124.195 -2.615 1
1 124 . 2 1 1 A 12 12 TYR H H 39 8.830 8.956 -0.126 1
1 125 . 2 1 1 A 12 12 TYR HA H 39 4.780 4.765 0.015 1
1 132 . 2 1 1 A 12 12 TYR C C 39 172.260 174.743 -2.483 1
1 133 . 2 1 1 A 12 12 TYR CA C 39 58.500 58.620 -0.120 1
1 134 . 2 1 1 A 12 12 TYR CB C 39 40.900 39.447 1.453 1
1 135 . 2 1 1 A 12 12 TYR N N 39 122.390 125.765 -3.375 1
1 136 . 2 1 1 A 13 13 CYS H H 40 7.690 7.960 -0.270 1
1 137 . 2 1 1 A 13 13 CYS HA H 40 4.420 5.754 -1.334 1
1 140 . 2 1 1 A 13 13 CYS CA C 40 53.850 54.084 -0.234 1
1 141 . 2 1 1 A 13 13 CYS CB C 40 48.920 45.189 3.731 1
1 142 . 2 1 1 A 14 14 SER H H 41 7.850 8.751 -0.901 1
1 143 . 2 1 1 A 14 14 SER HA H 41 4.160 4.798 -0.638 1
1 146 . 2 1 1 A 14 14 SER CA C 41 58.450 56.658 1.792 1
1 147 . 2 1 1 A 14 14 SER CB C 41 63.840 65.269 -1.429 1
1 148 . 2 1 1 A 14 14 SER N N 41 117.020 118.698 -1.678 1
1 149 . 2 1 1 A 16 16 HIS HA H 43 4.880 4.825 0.055 1
1 152 . 2 1 1 A 16 16 HIS CA C 43 54.770 54.053 0.717 1
1 153 . 2 1 1 A 16 16 HIS CB C 43 29.490 31.410 -1.920 1
1 154 . 2 1 1 A 17 17 CYS H H 44 8.560 8.394 0.166 1
1 155 . 2 1 1 A 18 18 PRO HA H 45 4.660 4.455 0.205 1
1 160 . 2 1 1 A 18 18 PRO CA C 45 62.500 62.698 -0.198 1
1 161 . 2 1 1 A 18 18 PRO CB C 45 33.140 32.747 0.393 1
1 164 . 2 1 1 A 19 19 ASP H H 46 8.800 8.918 -0.118 1
1 165 . 2 1 1 A 19 19 ASP HA H 46 4.250 4.331 -0.081 1
1 168 . 2 1 1 A 19 19 ASP C C 46 173.430 176.589 -3.159 1
1 169 . 2 1 1 A 19 19 ASP CA C 46 57.190 56.857 0.333 1
1 170 . 2 1 1 A 19 19 ASP CB C 46 40.720 40.484 0.236 1
1 171 . 2 1 1 A 19 19 ASP N N 46 120.170 123.881 -3.711 1
1 172 . 2 1 1 A 20 20 ASP H H 47 8.050 8.231 -0.181 1
1 173 . 2 1 1 A 20 20 ASP HA H 47 4.510 4.623 -0.113 1
1 176 . 2 1 1 A 20 20 ASP C C 47 173.500 176.155 -2.655 1
1 177 . 2 1 1 A 20 20 ASP CA C 47 52.840 53.016 -0.176 1
1 178 . 2 1 1 A 20 20 ASP CB C 47 39.980 39.714 0.266 1
1 179 . 2 1 1 A 20 20 ASP N N 47 114.670 115.165 -0.495 1
1 180 . 2 1 1 A 21 21 ALA H H 48 7.350 7.236 0.114 1
1 181 . 2 1 1 A 21 21 ALA HA H 48 4.280 4.259 0.021 1
1 185 . 2 1 1 A 21 21 ALA C C 48 174.490 176.954 -2.464 1
1 186 . 2 1 1 A 21 21 ALA CA C 48 53.430 52.472 0.958 1
1 187 . 2 1 1 A 21 21 ALA CB C 48 20.870 19.901 0.969 1
1 188 . 2 1 1 A 21 21 ALA N N 48 122.660 122.659 0.001 1
1 189 . 2 1 1 A 22 22 ILE H H 49 7.960 8.160 -0.200 1
1 190 . 2 1 1 A 22 22 ILE HA H 49 4.240 4.583 -0.343 1
1 199 . 2 1 1 A 22 22 ILE C C 49 173.300 176.279 -2.979 1
1 200 . 2 1 1 A 22 22 ILE CA C 49 60.230 59.750 0.480 1
1 201 . 2 1 1 A 22 22 ILE CB C 49 40.280 40.209 0.071 1
1 205 . 2 1 1 A 22 22 ILE N N 49 119.550 120.125 -0.575 1
1 206 . 2 1 1 A 23 23 ASN H H 50 9.280 9.092 0.188 1
1 207 . 2 1 1 A 23 23 ASN HA H 50 4.290 4.441 -0.151 1
1 212 . 2 1 1 A 23 23 ASN CA C 50 54.660 53.867 0.793 1
1 213 . 2 1 1 A 23 23 ASN CB C 50 37.620 36.174 1.446 1
1 214 . 2 1 1 A 23 23 ASN N N 50 125.470 125.578 -0.108 1
1 216 . 2 1 1 A 24 24 ASN H H 51 8.850 8.476 0.374 1
1 217 . 2 1 1 A 24 24 ASN HA H 51 4.070 4.063 0.007 1
1 222 . 2 1 1 A 24 24 ASN C C 51 170.660 173.761 -3.101 1
1 223 . 2 1 1 A 24 24 ASN CA C 51 56.080 54.385 1.695 1
1 224 . 2 1 1 A 24 24 ASN CB C 51 37.430 36.676 0.754 1
1 226 . 2 1 1 A 25 25 THR H H 52 7.190 7.430 -0.240 1
1 227 . 2 1 1 A 25 25 THR HA H 52 5.370 5.175 0.195 1
1 232 . 2 1 1 A 25 25 THR C C 52 169.910 172.341 -2.431 1
1 233 . 2 1 1 A 25 25 THR CA C 52 59.890 59.590 0.300 1
1 234 . 2 1 1 A 25 25 THR CB C 52 73.940 72.467 1.473 1
1 236 . 2 1 1 A 25 25 THR N N 52 105.820 106.152 -0.332 1
1 237 . 2 1 1 A 26 26 CYS H H 53 8.960 8.841 0.119 1
1 238 . 2 1 1 A 26 26 CYS HA H 53 5.000 5.334 -0.334 1
1 241 . 2 1 1 A 26 26 CYS C C 53 168.780 171.486 -2.706 1
1 242 . 2 1 1 A 26 26 CYS CA C 53 52.560 53.669 -1.109 1
1 243 . 2 1 1 A 26 26 CYS CB C 53 48.650 46.543 2.107 1
1 244 . 2 1 1 A 26 26 CYS N N 53 116.070 119.108 -3.038 1
1 245 . 2 1 1 A 27 27 ILE H H 54 8.530 8.611 -0.081 1
1 246 . 2 1 1 A 27 27 ILE HA H 54 5.210 4.955 0.255 1
1 256 . 2 1 1 A 27 27 ILE C C 54 173.400 174.700 -1.300 1
1 257 . 2 1 1 A 27 27 ILE CA C 54 59.200 60.327 -1.127 1
1 258 . 2 1 1 A 27 27 ILE CB C 54 40.220 39.863 0.357 1
1 262 . 2 1 1 A 27 27 ILE N N 54 120.170 121.180 -1.010 1
1 263 . 2 1 1 A 28 28 THR H H 55 9.200 8.819 0.381 1
1 264 . 2 1 1 A 28 28 THR HA H 55 4.800 5.168 -0.368 1
1 269 . 2 1 1 A 28 28 THR C C 55 168.370 172.636 -4.266 1
1 270 . 2 1 1 A 28 28 THR CA C 55 60.060 59.767 0.293 1
1 271 . 2 1 1 A 28 28 THR CB C 55 70.490 71.338 -0.848 1
1 273 . 2 1 1 A 28 28 THR N N 55 120.750 120.698 0.052 1
1 274 . 2 1 1 A 29 29 ASN H H 56 8.000 8.457 -0.457 1
1 275 . 2 1 1 A 29 29 ASN HA H 56 4.920 4.840 0.080 1
1 280 . 2 1 1 A 29 29 ASN C C 56 172.880 175.249 -2.369 1
1 281 . 2 1 1 A 29 29 ASN CA C 56 52.620 51.519 1.101 1
1 282 . 2 1 1 A 29 29 ASN CB C 56 38.920 38.122 0.798 1
1 283 . 2 1 1 A 29 29 ASN N N 56 120.880 123.532 -2.652 1
1 285 . 2 1 1 A 30 30 GLY H H 57 8.510 7.638 0.872 1
1 286 . 2 1 1 A 30 30 GLY HA2 H 57 4.140 3.985 0.155 1
1 287 . 2 1 1 A 30 30 GLY HA3 H 57 3.960 4.105 -0.145 1
1 288 . 2 1 1 A 30 30 GLY C C 57 169.020 172.928 -3.908 1
1 289 . 2 1 1 A 30 30 GLY CA C 57 45.800 45.432 0.368 1
1 290 . 2 1 1 A 30 30 GLY N N 57 111.380 109.374 2.006 1
1 291 . 2 1 1 A 31 31 HIS H H 58 8.560 7.778 0.782 1
1 292 . 2 1 1 A 31 31 HIS HA H 58 4.710 5.313 -0.603 1
1 295 . 2 1 1 A 31 31 HIS C C 58 171.200 173.999 -2.799 1
1 296 . 2 1 1 A 31 31 HIS CA C 58 56.140 54.676 1.464 1
1 297 . 2 1 1 A 31 31 HIS CB C 58 34.650 34.045 0.605 1
1 298 . 2 1 1 A 31 31 HIS N N 58 120.870 115.331 5.539 1
1 299 . 2 1 1 A 32 32 CYS H H 59 8.710 8.478 0.232 1
1 300 . 2 1 1 A 32 32 CYS HA H 59 5.700 5.261 0.439 1
1 303 . 2 1 1 A 32 32 CYS C C 59 173.470 173.499 -0.029 1
1 304 . 2 1 1 A 32 32 CYS CA C 59 52.340 55.185 -2.845 1
1 305 . 2 1 1 A 32 32 CYS CB C 59 36.950 44.206 -7.256 1
1 306 . 2 1 1 A 32 32 CYS N N 59 117.290 119.390 -2.100 1
1 307 . 2 1 1 A 33 33 PHE H H 60 8.700 8.514 0.186 1
1 308 . 2 1 1 A 33 33 PHE HA H 60 6.110 5.774 0.336 1
1 316 . 2 1 1 A 33 33 PHE C C 60 172.200 172.884 -0.684 1
1 317 . 2 1 1 A 33 33 PHE CA C 60 56.630 55.320 1.310 1
1 318 . 2 1 1 A 33 33 PHE CB C 60 44.830 42.570 2.260 1
1 319 . 2 1 1 A 33 33 PHE N N 60 116.070 120.119 -4.049 1
1 320 . 2 1 1 A 34 34 ALA H H 61 9.200 8.458 0.742 1
1 321 . 2 1 1 A 34 34 ALA HA H 61 5.000 4.920 0.080 1
1 325 . 2 1 1 A 34 34 ALA C C 61 171.610 175.705 -4.095 1
1 326 . 2 1 1 A 34 34 ALA CA C 61 52.320 51.496 0.824 1
1 327 . 2 1 1 A 34 34 ALA CB C 61 23.950 23.239 0.711 1
1 328 . 2 1 1 A 34 34 ALA N N 61 125.170 120.940 4.230 1
1 329 . 2 1 1 A 35 35 ILE H H 62 9.470 8.594 0.876 1
1 330 . 2 1 1 A 35 35 ILE HA H 62 5.350 4.891 0.459 1
1 340 . 2 1 1 A 35 35 ILE C C 62 170.850 173.443 -2.593 1
1 341 . 2 1 1 A 35 35 ILE CA C 62 59.260 59.413 -0.153 1
1 342 . 2 1 1 A 35 35 ILE CB C 62 43.660 42.319 1.341 1
1 346 . 2 1 1 A 35 35 ILE N N 62 120.630 119.458 1.172 1
1 347 . 2 1 1 A 36 36 ILE H H 63 8.500 8.767 -0.267 1
1 348 . 2 1 1 A 36 36 ILE HA H 63 5.240 5.325 -0.085 1
1 358 . 2 1 1 A 36 36 ILE C C 63 170.510 172.977 -2.467 1
1 359 . 2 1 1 A 36 36 ILE CA C 63 59.130 59.204 -0.074 1
1 360 . 2 1 1 A 36 36 ILE CB C 63 41.670 42.409 -0.739 1
1 364 . 2 1 1 A 36 36 ILE N N 63 125.830 126.120 -0.290 1
1 365 . 2 1 1 A 37 37 GLU H H 64 8.450 8.742 -0.292 1
1 366 . 2 1 1 A 37 37 GLU HA H 64 5.010 5.015 -0.005 1
1 371 . 2 1 1 A 37 37 GLU C C 64 171.410 174.394 -2.984 1
1 372 . 2 1 1 A 37 37 GLU CA C 64 54.830 55.000 -0.170 1
1 373 . 2 1 1 A 37 37 GLU CB C 64 34.320 33.929 0.391 1
1 375 . 2 1 1 A 37 37 GLU N N 64 124.570 127.002 -2.432 1
1 376 . 2 1 1 A 38 38 GLU H H 65 8.300 8.480 -0.180 1
1 377 . 2 1 1 A 38 38 GLU HA H 65 5.040 4.938 0.102 1
1 382 . 2 1 1 A 38 38 GLU C C 65 172.920 175.914 -2.994 1
1 383 . 2 1 1 A 38 38 GLU CA C 65 54.760 55.034 -0.274 1
1 384 . 2 1 1 A 38 38 GLU CB C 65 33.470 31.442 2.028 1
1 386 . 2 1 1 A 38 38 GLU N N 65 123.960 124.084 -0.124 1
1 387 . 2 1 1 A 39 39 ASP H H 66 8.470 8.254 0.216 1
1 388 . 2 1 1 A 39 39 ASP HA H 66 4.750 4.885 -0.135 1
1 391 . 2 1 1 A 39 39 ASP C C 66 174.940 177.738 -2.798 1
1 392 . 2 1 1 A 39 39 ASP CA C 66 52.890 52.492 0.398 1
1 393 . 2 1 1 A 39 39 ASP CB C 66 41.990 41.409 0.581 1
1 394 . 2 1 1 A 39 39 ASP N N 66 124.870 126.985 -2.115 1
1 395 . 2 1 1 A 40 40 ASP H H 67 8.380 8.899 -0.519 1
1 396 . 2 1 1 A 40 40 ASP HA H 67 4.310 4.457 -0.147 1
1 399 . 2 1 1 A 40 40 ASP C C 67 174.210 176.937 -2.727 1
1 400 . 2 1 1 A 40 40 ASP CA C 67 56.350 56.084 0.266 1
1 401 . 2 1 1 A 40 40 ASP CB C 67 40.510 39.990 0.520 1
1 402 . 2 1 1 A 40 40 ASP N N 67 116.220 118.627 -2.407 1
1 403 . 2 1 1 A 41 41 GLN H H 68 8.200 7.777 0.423 1
1 404 . 2 1 1 A 41 41 GLN HA H 68 4.380 4.364 0.016 1
1 411 . 2 1 1 A 41 41 GLN C C 68 173.740 176.412 -2.672 1
1 412 . 2 1 1 A 41 41 GLN CA C 68 55.590 55.631 -0.041 1
1 413 . 2 1 1 A 41 41 GLN CB C 68 29.780 29.527 0.253 1
1 415 . 2 1 1 A 41 41 GLN N N 68 117.190 117.479 -0.289 1
1 417 . 2 1 1 A 42 42 GLY H H 69 8.000 8.187 -0.187 1
1 418 . 2 1 1 A 42 42 GLY HA2 H 69 3.630 3.911 -0.281 1
1 419 . 2 1 1 A 42 42 GLY HA3 H 69 4.140 3.911 0.229 1
1 420 . 2 1 1 A 42 42 GLY C C 69 171.650 174.291 -2.641 1
1 421 . 2 1 1 A 42 42 GLY CA C 69 45.730 45.689 0.041 1
1 422 . 2 1 1 A 42 42 GLY N N 69 108.130 108.759 -0.629 1
1 423 . 2 1 1 A 43 43 GLU H H 70 8.410 7.522 0.888 1
1 424 . 2 1 1 A 43 43 GLU HA H 70 4.450 4.559 -0.109 1
1 429 . 2 1 1 A 43 43 GLU C C 70 173.970 176.415 -2.445 1
1 430 . 2 1 1 A 43 43 GLU CA C 70 56.020 55.546 0.474 1
1 431 . 2 1 1 A 43 43 GLU CB C 70 30.300 31.060 -0.760 1
1 433 . 2 1 1 A 43 43 GLU N N 70 122.300 119.813 2.487 1
1 434 . 2 1 1 A 44 44 THR H H 71 8.620 8.482 0.138 1
1 435 . 2 1 1 A 44 44 THR HA H 71 5.210 5.181 0.029 1
1 440 . 2 1 1 A 44 44 THR C C 71 172.160 174.057 -1.897 1
1 441 . 2 1 1 A 44 44 THR CA C 71 61.600 60.835 0.765 1
1 442 . 2 1 1 A 44 44 THR CB C 71 71.000 70.111 0.889 1
1 444 . 2 1 1 A 44 44 THR N N 71 117.330 114.306 3.024 1
1 445 . 2 1 1 A 45 45 THR H H 72 8.760 8.665 0.095 1
1 446 . 2 1 1 A 45 45 THR HA H 72 4.500 5.058 -0.558 1
1 451 . 2 1 1 A 45 45 THR C C 72 169.600 173.705 -4.105 1
1 452 . 2 1 1 A 45 45 THR CA C 72 61.270 60.570 0.700 1
1 453 . 2 1 1 A 45 45 THR CB C 72 72.320 70.012 2.308 1
1 455 . 2 1 1 A 45 45 THR N N 72 117.840 117.641 0.199 1
1 456 . 2 1 1 A 46 46 LEU H H 73 8.400 9.185 -0.785 1
1 457 . 2 1 1 A 46 46 LEU HA H 73 5.250 5.151 0.099 1
1 464 . 2 1 1 A 46 46 LEU C C 73 173.150 175.698 -2.548 1
1 465 . 2 1 1 A 46 46 LEU CA C 73 54.300 53.834 0.466 1
1 466 . 2 1 1 A 46 46 LEU CB C 73 44.860 43.601 1.259 1
1 470 . 2 1 1 A 46 46 LEU N N 73 126.020 127.644 -1.624 1
1 471 . 2 1 1 A 47 47 ALA HA H 74 4.760 5.399 -0.639 1
1 475 . 2 1 1 A 47 47 ALA C C 74 172.740 175.395 -2.655 1
1 476 . 2 1 1 A 47 47 ALA CA C 74 51.440 51.014 0.426 1
1 477 . 2 1 1 A 47 47 ALA CB C 74 23.350 23.634 -0.284 1
1 478 . 2 1 1 A 48 48 SER H H 75 8.700 8.625 0.075 1
1 479 . 2 1 1 A 48 48 SER HA H 75 4.500 4.614 -0.114 1
1 482 . 2 1 1 A 48 48 SER C C 75 171.590 173.049 -1.459 1
1 483 . 2 1 1 A 48 48 SER CA C 75 57.740 56.388 1.352 1
1 484 . 2 1 1 A 48 48 SER CB C 75 65.700 65.976 -0.276 1
1 485 . 2 1 1 A 48 48 SER N N 75 111.400 113.985 -2.585 1
1 486 . 2 1 1 A 49 49 GLY H H 76 6.440 7.307 -0.867 1
1 487 . 2 1 1 A 49 49 GLY HA2 H 76 3.850 3.947 -0.097 1
1 488 . 2 1 1 A 49 49 GLY HA3 H 76 3.730 3.961 -0.231 1
1 489 . 2 1 1 A 49 49 GLY C C 76 167.890 171.341 -3.451 1
1 490 . 2 1 1 A 49 49 GLY CA C 76 47.420 45.912 1.508 1
1 491 . 2 1 1 A 49 49 GLY N N 76 105.480 105.779 -0.299 1
1 492 . 2 1 1 A 50 50 CYS H H 77 8.740 8.373 0.367 1
1 493 . 2 1 1 A 50 50 CYS HA H 77 4.950 5.380 -0.430 1
1 496 . 2 1 1 A 50 50 CYS C C 77 170.670 172.831 -2.161 1
1 497 . 2 1 1 A 50 50 CYS CA C 77 60.030 55.321 4.709 1
1 498 . 2 1 1 A 50 50 CYS CB C 77 46.100 43.451 2.649 1
1 499 . 2 1 1 A 50 50 CYS N N 77 118.960 120.061 -1.101 1
1 500 . 2 1 1 A 51 51 MET H H 78 9.240 9.077 0.163 1
1 501 . 2 1 1 A 51 51 MET HA H 78 4.760 5.023 -0.263 1
1 509 . 2 1 1 A 51 51 MET C C 78 171.990 175.989 -3.999 1
1 510 . 2 1 1 A 51 51 MET CA C 78 54.630 54.177 0.453 1
1 511 . 2 1 1 A 51 51 MET CB C 78 35.810 35.175 0.635 1
1 514 . 2 1 1 A 51 51 MET N N 78 122.340 125.964 -3.624 1
1 515 . 2 1 1 A 52 52 LYS H H 79 8.430 8.389 0.041 1
1 516 . 2 1 1 A 52 52 LYS HA H 79 4.160 4.307 -0.147 1
1 525 . 2 1 1 A 52 52 LYS C C 79 173.040 175.909 -2.869 1
1 526 . 2 1 1 A 52 52 LYS CA C 79 57.120 56.022 1.098 1
1 527 . 2 1 1 A 52 52 LYS CB C 79 33.720 32.640 1.080 1
1 531 . 2 1 1 A 52 52 LYS N N 79 125.030 123.671 1.359 1
1 532 . 2 1 1 A 53 53 TYR H H 80 8.400 8.802 -0.402 1
1 533 . 2 1 1 A 53 53 TYR HA H 80 4.200 4.555 -0.355 1
1 536 . 2 1 1 A 53 53 TYR C C 80 173.370 175.309 -1.939 1
1 537 . 2 1 1 A 53 53 TYR CA C 80 59.910 59.345 0.565 1
1 538 . 2 1 1 A 53 53 TYR CB C 80 39.000 39.283 -0.283 1
1 539 . 2 1 1 A 53 53 TYR N N 80 121.420 120.924 0.496 1
1 540 . 2 1 1 A 54 54 GLU H H 81 8.490 8.586 -0.096 1
1 541 . 2 1 1 A 54 54 GLU HA H 81 4.170 4.641 -0.471 1
1 545 . 2 1 1 A 54 54 GLU C C 81 173.240 176.691 -3.451 1
1 546 . 2 1 1 A 54 54 GLU CA C 81 56.440 56.663 -0.223 1
1 547 . 2 1 1 A 54 54 GLU CB C 81 30.860 32.466 -1.606 1
1 549 . 2 1 1 A 54 54 GLU N N 81 123.790 124.568 -0.778 1
1 550 . 2 1 1 A 55 55 GLY H H 82 7.200 7.503 -0.303 1
1 551 . 2 1 1 A 55 55 GLY HA2 H 82 4.050 3.816 0.234 1
1 552 . 2 1 1 A 55 55 GLY HA3 H 82 3.690 3.943 -0.253 1
1 553 . 2 1 1 A 55 55 GLY C C 82 171.520 174.702 -3.182 1
1 554 . 2 1 1 A 55 55 GLY CA C 82 45.680 45.196 0.484 1
1 555 . 2 1 1 A 55 55 GLY N N 82 108.400 107.742 0.658 1
1 556 . 2 1 1 A 56 56 SER H H 83 8.140 7.886 0.254 1
1 557 . 2 1 1 A 56 56 SER HA H 83 4.280 4.334 -0.054 1
1 560 . 2 1 1 A 56 56 SER C C 83 171.900 175.107 -3.207 1
1 561 . 2 1 1 A 56 56 SER CA C 83 59.270 59.189 0.081 1
1 562 . 2 1 1 A 56 56 SER CB C 83 63.960 63.460 0.500 1
1 563 . 2 1 1 A 56 56 SER N N 83 114.650 116.537 -1.887 1
1 564 . 2 1 1 A 57 57 ASP H H 84 8.340 9.045 -0.705 1
1 565 . 2 1 1 A 57 57 ASP HA H 84 4.430 4.676 -0.246 1
1 568 . 2 1 1 A 57 57 ASP C C 84 173.100 176.736 -3.636 1
1 569 . 2 1 1 A 57 57 ASP CA C 84 54.950 56.183 -1.233 1
1 570 . 2 1 1 A 57 57 ASP CB C 84 40.840 40.951 -0.111 1
1 571 . 2 1 1 A 57 57 ASP N N 84 121.230 124.910 -3.680 1
1 572 . 2 1 1 A 58 58 PHE H H 85 7.730 7.679 0.051 1
1 573 . 2 1 1 A 58 58 PHE HA H 85 4.260 4.721 -0.461 1
1 581 . 2 1 1 A 58 58 PHE C C 85 172.590 174.852 -2.262 1
1 582 . 2 1 1 A 58 58 PHE CA C 85 58.520 56.888 1.632 1
1 583 . 2 1 1 A 58 58 PHE CB C 85 39.840 40.242 -0.402 1
1 584 . 2 1 1 A 58 58 PHE N N 85 118.920 118.789 0.131 1
1 585 . 2 1 1 A 59 59 GLN H H 86 7.790 7.634 0.156 1
1 586 . 2 1 1 A 59 59 GLN HA H 86 4.070 4.416 -0.346 1
1 593 . 2 1 1 A 59 59 GLN C C 86 172.550 175.266 -2.716 1
1 594 . 2 1 1 A 59 59 GLN CA C 86 56.000 55.062 0.938 1
1 595 . 2 1 1 A 59 59 GLN CB C 86 30.600 26.550 4.050 1
1 597 . 2 1 1 A 59 59 GLN N N 86 120.280 119.917 0.363 1
1 599 . 2 1 1 A 60 60 CYS H H 87 8.100 8.069 0.031 1
1 600 . 2 1 1 A 60 60 CYS HA H 87 4.140 4.756 -0.616 1
1 603 . 2 1 1 A 60 60 CYS C C 87 170.910 173.029 -2.119 1
1 604 . 2 1 1 A 60 60 CYS CA C 87 56.810 55.221 1.589 1
1 605 . 2 1 1 A 60 60 CYS CB C 87 40.780 43.153 -2.373 1
1 606 . 2 1 1 A 60 60 CYS N N 87 118.790 123.862 -5.072 1
1 607 . 2 1 1 A 61 61 LYS H H 88 7.610 7.498 0.112 1
1 608 . 2 1 1 A 61 61 LYS HA H 88 4.280 4.413 -0.133 1
1 617 . 2 1 1 A 61 61 LYS C C 88 172.330 175.559 -3.229 1
1 618 . 2 1 1 A 61 61 LYS CA C 88 56.210 55.566 0.644 1
1 619 . 2 1 1 A 61 61 LYS CB C 88 34.210 33.669 0.541 1
1 623 . 2 1 1 A 61 61 LYS N N 88 120.330 119.768 0.562 1
1 624 . 2 1 1 A 62 62 ASP H H 89 8.180 8.827 -0.647 1
1 625 . 2 1 1 A 62 62 ASP HA H 89 4.500 5.236 -0.736 1
1 628 . 2 1 1 A 62 62 ASP C C 89 172.970 175.313 -2.343 1
1 629 . 2 1 1 A 62 62 ASP CA C 89 54.200 52.642 1.558 1
1 630 . 2 1 1 A 62 62 ASP CB C 89 42.090 43.596 -1.506 1
1 631 . 2 1 1 A 62 62 ASP N N 89 121.190 120.689 0.501 1
1 632 . 2 1 1 A 63 63 SER H H 90 8.190 8.892 -0.702 1
1 633 . 2 1 1 A 63 63 SER HA H 90 4.640 4.737 -0.097 1
1 636 . 2 1 1 A 63 63 SER C C 90 170.240 174.115 -3.875 1
1 637 . 2 1 1 A 63 63 SER CA C 90 56.600 57.346 -0.746 1
1 638 . 2 1 1 A 63 63 SER CB C 90 63.770 62.796 0.974 1
1 639 . 2 1 1 A 63 63 SER N N 90 116.710 120.200 -3.490 1
1 640 . 2 1 1 A 64 64 PRO HA H 91 4.350 4.599 -0.249 1
1 647 . 2 1 1 A 64 64 PRO CA C 91 63.800 62.693 1.107 1
1 648 . 2 1 1 A 64 64 PRO CB C 91 32.410 29.456 2.954 1
1 651 . 2 1 1 A 65 65 LYS H H 92 8.240 7.974 0.266 1
1 652 . 2 1 1 A 65 65 LYS HA H 92 4.210 4.573 -0.363 1
1 661 . 2 1 1 A 65 65 LYS C C 92 173.330 175.700 -2.370 1
1 662 . 2 1 1 A 65 65 LYS CA C 92 56.410 55.469 0.941 1
1 663 . 2 1 1 A 65 65 LYS CB C 92 33.230 32.661 0.569 1
1 667 . 2 1 1 A 65 65 LYS N N 92 120.180 118.361 1.819 1
1 668 . 2 1 1 A 66 66 ALA H H 93 8.040 7.476 0.564 1
1 669 . 2 1 1 A 66 66 ALA HA H 93 4.210 4.694 -0.484 1
1 673 . 2 1 1 A 66 66 ALA C C 93 174.580 176.230 -1.650 1
1 674 . 2 1 1 A 66 66 ALA CA C 93 53.020 50.917 2.103 1
1 675 . 2 1 1 A 66 66 ALA CB C 93 19.760 21.856 -2.096 1
1 676 . 2 1 1 A 66 66 ALA N N 93 124.050 119.778 4.272 1
1 677 . 2 1 1 A 67 67 GLN H H 94 8.320 8.359 -0.039 1
1 678 . 2 1 1 A 67 67 GLN HA H 94 4.190 4.395 -0.205 1
1 685 . 2 1 1 A 67 67 GLN C C 94 172.780 175.841 -3.061 1
1 686 . 2 1 1 A 67 67 GLN CA C 94 56.750 55.684 1.066 1
1 687 . 2 1 1 A 67 67 GLN CB C 94 29.100 29.847 -0.747 1
1 689 . 2 1 1 A 67 67 GLN N N 94 117.930 117.569 0.361 1
1 691 . 2 1 1 A 68 68 LEU H H 95 7.730 8.084 -0.354 1
1 692 . 2 1 1 A 68 68 LEU HA H 95 4.360 4.338 0.022 1
1 702 . 2 1 1 A 68 68 LEU C C 95 174.270 177.026 -2.756 1
1 703 . 2 1 1 A 68 68 LEU CA C 95 54.970 55.222 -0.252 1
1 704 . 2 1 1 A 68 68 LEU CB C 95 43.120 43.227 -0.107 1
1 708 . 2 1 1 A 68 68 LEU N N 95 120.470 122.566 -2.096 1
1 709 . 2 1 1 A 69 69 ARG H H 96 8.600 8.629 -0.029 1
1 710 . 2 1 1 A 69 69 ARG HA H 96 4.230 4.486 -0.256 1
1 718 . 2 1 1 A 69 69 ARG C C 96 171.700 176.330 -4.630 1
1 719 . 2 1 1 A 69 69 ARG CA C 96 56.570 57.017 -0.447 1
1 720 . 2 1 1 A 69 69 ARG CB C 96 30.660 31.185 -0.525 1
1 723 . 2 1 1 A 69 69 ARG N N 96 121.670 123.296 -1.626 1
1 725 . 2 1 1 A 70 70 ARG H H 97 7.800 8.768 -0.968 1
1 726 . 2 1 1 A 70 70 ARG HA H 97 5.170 5.151 0.019 1
1 734 . 2 1 1 A 70 70 ARG C C 97 172.120 173.248 -1.128 1
1 735 . 2 1 1 A 70 70 ARG CA C 97 55.260 54.687 0.573 1
1 736 . 2 1 1 A 70 70 ARG CB C 97 34.040 34.096 -0.056 1
1 739 . 2 1 1 A 70 70 ARG N N 97 120.130 118.995 1.135 1
1 741 . 2 1 1 A 71 71 THR H H 98 8.610 8.279 0.331 1
1 742 . 2 1 1 A 71 71 THR HA H 98 4.600 5.143 -0.543 1
1 747 . 2 1 1 A 71 71 THR C C 98 169.250 173.379 -4.129 1
1 748 . 2 1 1 A 71 71 THR CA C 98 62.030 61.529 0.501 1
1 749 . 2 1 1 A 71 71 THR CB C 98 71.970 71.874 0.096 1
1 751 . 2 1 1 A 71 71 THR N N 98 118.550 114.085 4.465 1
1 752 . 2 1 1 A 72 72 ILE H H 99 8.520 8.623 -0.103 1
1 753 . 2 1 1 A 72 72 ILE HA H 99 5.080 5.028 0.052 1
1 763 . 2 1 1 A 72 72 ILE C C 99 170.930 172.944 -2.014 1
1 764 . 2 1 1 A 72 72 ILE CA C 99 59.370 59.309 0.061 1
1 765 . 2 1 1 A 72 72 ILE CB C 99 42.140 42.378 -0.238 1
1 769 . 2 1 1 A 72 72 ILE N N 99 125.230 123.773 1.457 1
1 770 . 2 1 1 A 73 73 GLU H H 100 8.860 8.619 0.241 1
1 771 . 2 1 1 A 73 73 GLU HA H 100 4.670 5.004 -0.334 1
1 776 . 2 1 1 A 73 73 GLU C C 100 172.200 174.786 -2.586 1
1 777 . 2 1 1 A 73 73 GLU CA C 100 55.840 55.083 0.757 1
1 778 . 2 1 1 A 73 73 GLU CB C 100 34.410 34.176 0.234 1
1 780 . 2 1 1 A 73 73 GLU N N 100 125.680 125.647 0.033 1
1 781 . 2 1 1 A 74 74 CYS H H 101 8.830 9.027 -0.197 1
1 782 . 2 1 1 A 74 74 CYS HA H 101 5.790 5.593 0.197 1
1 785 . 2 1 1 A 74 74 CYS C C 101 170.360 172.499 -2.139 1
1 786 . 2 1 1 A 74 74 CYS CA C 101 55.010 54.402 0.608 1
1 787 . 2 1 1 A 74 74 CYS CB C 101 45.320 46.186 -0.866 1
1 788 . 2 1 1 A 74 74 CYS N N 101 119.260 117.333 1.927 1
1 789 . 2 1 1 A 75 75 CYS H H 102 9.130 8.615 0.515 1
1 790 . 2 1 1 A 75 75 CYS HA H 102 5.000 5.372 -0.372 1
1 793 . 2 1 1 A 75 75 CYS C C 102 170.670 171.892 -1.222 1
1 794 . 2 1 1 A 75 75 CYS CA C 102 56.180 55.585 0.595 1
1 795 . 2 1 1 A 75 75 CYS CB C 102 46.090 46.348 -0.258 1
1 796 . 2 1 1 A 75 75 CYS N N 102 116.460 118.561 -2.101 1
1 797 . 2 1 1 A 76 76 ARG H H 103 9.240 9.043 0.197 1
1 798 . 2 1 1 A 76 76 ARG HA H 103 4.800 4.599 0.201 1
1 806 . 2 1 1 A 76 76 ARG C C 103 172.120 174.681 -2.561 1
1 807 . 2 1 1 A 76 76 ARG CA C 103 56.230 55.147 1.083 1
1 808 . 2 1 1 A 76 76 ARG CB C 103 32.610 29.664 2.946 1
1 811 . 2 1 1 A 76 76 ARG N N 103 122.520 125.338 -2.818 1
1 813 . 2 1 1 A 77 77 THR H H 104 7.440 7.753 -0.313 1
1 814 . 2 1 1 A 77 77 THR HA H 104 4.600 5.193 -0.593 1
1 819 . 2 1 1 A 77 77 THR C C 104 171.890 173.607 -1.717 1
1 820 . 2 1 1 A 77 77 THR CA C 104 61.270 59.511 1.759 1
1 821 . 2 1 1 A 77 77 THR CB C 104 72.490 72.022 0.468 1
1 823 . 2 1 1 A 77 77 THR N N 104 109.730 112.147 -2.417 1
1 824 . 2 1 1 A 78 78 ASN H H 105 8.590 8.683 -0.093 1
1 825 . 2 1 1 A 78 78 ASN HA H 105 4.790 4.677 0.113 1
1 830 . 2 1 1 A 78 78 ASN C C 105 174.150 175.292 -1.142 1
1 831 . 2 1 1 A 78 78 ASN CA C 105 55.870 54.079 1.791 1
1 832 . 2 1 1 A 78 78 ASN CB C 105 39.260 38.246 1.014 1
1 833 . 2 1 1 A 78 78 ASN N N 105 119.360 119.465 -0.105 1
1 835 . 2 1 1 A 79 79 LEU H H 106 9.980 8.786 1.194 1
1 836 . 2 1 1 A 79 79 LEU HA H 106 3.680 3.954 -0.274 1
1 846 . 2 1 1 A 79 79 LEU C C 106 175.050 177.533 -2.483 1
1 847 . 2 1 1 A 79 79 LEU CA C 106 56.790 56.081 0.709 1
1 848 . 2 1 1 A 79 79 LEU CB C 106 38.920 39.343 -0.423 1
1 852 . 2 1 1 A 79 79 LEU N N 106 118.230 117.744 0.486 1
1 853 . 2 1 1 A 80 80 CYS H H 107 8.250 8.022 0.228 1
1 854 . 2 1 1 A 80 80 CYS HA H 107 4.320 4.382 -0.062 1
1 857 . 2 1 1 A 80 80 CYS C C 107 172.470 175.955 -3.485 1
1 858 . 2 1 1 A 80 80 CYS CA C 107 58.370 58.796 -0.426 1
1 859 . 2 1 1 A 80 80 CYS CB C 107 46.090 42.157 3.933 1
1 860 . 2 1 1 A 80 80 CYS N N 107 115.460 116.651 -1.191 1
1 861 . 2 1 1 A 81 81 ASN H H 108 8.590 7.908 0.682 1
1 862 . 2 1 1 A 81 81 ASN HA H 108 4.430 4.605 -0.175 1
1 867 . 2 1 1 A 81 81 ASN C C 108 172.210 177.803 -5.593 1
1 868 . 2 1 1 A 81 81 ASN CA C 108 53.320 55.534 -2.214 1
1 869 . 2 1 1 A 81 81 ASN CB C 108 37.290 38.358 -1.068 1
1 870 . 2 1 1 A 81 81 ASN N N 108 118.040 120.473 -2.433 1
1 872 . 2 1 1 A 82 82 GLN H H 109 7.490 7.845 -0.355 1
1 873 . 2 1 1 A 82 82 GLN HA H 109 3.380 3.585 -0.205 1
1 880 . 2 1 1 A 82 82 GLN C C 109 172.300 176.877 -4.577 1
1 881 . 2 1 1 A 82 82 GLN CA C 109 58.940 58.230 0.710 1
1 882 . 2 1 1 A 82 82 GLN CB C 109 28.770 27.801 0.969 1
1 884 . 2 1 1 A 82 82 GLN N N 109 121.350 120.248 1.102 1
1 886 . 2 1 1 A 83 83 TYR H H 110 7.830 7.677 0.153 1
1 887 . 2 1 1 A 83 83 TYR HA H 110 4.590 4.673 -0.083 1
1 892 . 2 1 1 A 83 83 TYR CA C 110 56.490 57.408 -0.918 1
1 893 . 2 1 1 A 83 83 TYR CB C 110 38.400 38.113 0.287 1
1 894 . 2 1 1 A 83 83 TYR N N 110 114.600 116.442 -1.842 1
1 895 . 2 1 1 A 84 84 LEU H H 111 6.610 7.360 -0.750 1
1 896 . 2 1 1 A 84 84 LEU HA H 111 4.170 4.975 -0.805 1
1 905 . 2 1 1 A 84 84 LEU C C 111 172.880 174.763 -1.883 1
1 906 . 2 1 1 A 84 84 LEU CA C 111 55.250 53.573 1.677 1
1 907 . 2 1 1 A 84 84 LEU CB C 111 43.400 44.815 -1.415 1
1 911 . 2 1 1 A 84 84 LEU N N 111 120.140 121.998 -1.858 1
1 912 . 2 1 1 A 85 85 GLN H H 112 8.780 8.977 -0.197 1
1 913 . 2 1 1 A 85 85 GLN HA H 112 4.570 4.901 -0.331 1
1 920 . 2 1 1 A 85 85 GLN C C 112 169.480 174.439 -4.959 1
1 921 . 2 1 1 A 85 85 GLN CA C 112 53.110 52.770 0.340 1
1 922 . 2 1 1 A 85 85 GLN CB C 112 30.000 30.455 -0.455 1
1 924 . 2 1 1 A 85 85 GLN N N 112 122.790 127.583 -4.793 1
1 926 . 2 1 1 A 86 86 PRO HA H 113 4.400 4.961 -0.561 1
1 931 . 2 1 1 A 86 86 PRO CA C 113 63.040 62.668 0.372 1
1 932 . 2 1 1 A 86 86 PRO CB C 113 32.400 32.394 0.006 1
1 935 . 2 1 1 A 87 87 THR H H 114 8.180 8.558 -0.378 1
1 936 . 2 1 1 A 87 87 THR HA H 114 4.400 5.067 -0.667 1
1 941 . 2 1 1 A 87 87 THR C C 114 172.180 173.080 -0.900 1
1 942 . 2 1 1 A 87 87 THR CA C 114 60.960 59.727 1.233 1
1 943 . 2 1 1 A 87 87 THR CB C 114 71.290 71.883 -0.593 1
1 945 . 2 1 1 A 87 87 THR N N 114 111.930 112.602 -0.672 1
1 946 . 2 1 1 A 88 88 LEU H H 115 8.580 8.635 -0.055 1
1 947 . 2 1 1 A 88 88 LEU HA H 115 4.300 4.823 -0.523 1
1 956 . 2 1 1 A 88 88 LEU C C 115 171.740 174.594 -2.854 1
1 957 . 2 1 1 A 88 88 LEU CA C 115 53.230 53.666 -0.436 1
1 958 . 2 1 1 A 88 88 LEU CB C 115 41.900 40.990 0.910 1
1 962 . 2 1 1 A 88 88 LEU N N 115 125.290 125.325 -0.035 1
1 963 . 2 1 1 A 89 89 PRO HA H 116 4.630 4.664 -0.034 1
1 970 . 2 1 1 A 89 89 PRO CA C 116 61.580 61.647 -0.067 1
1 971 . 2 1 1 A 89 89 PRO CB C 116 30.980 31.651 -0.671 1
1 974 . 2 1 1 A 90 90 PRO HA H 117 4.350 4.530 -0.180 1
1 977 . 2 1 1 A 90 90 PRO CA C 117 63.010 62.649 0.361 1
1 978 . 2 1 1 A 90 90 PRO CB C 117 32.300 32.291 0.009 1
1 981 . 2 1 1 A 91 91 VAL H H 118 8.190 8.379 -0.189 1
1 982 . 2 1 1 A 91 91 VAL HA H 118 3.900 4.375 -0.475 1
1 990 . 2 1 1 A 91 91 VAL C C 118 173.270 175.825 -2.555 1
1 991 . 2 1 1 A 91 91 VAL CA C 118 62.890 62.581 0.309 1
1 992 . 2 1 1 A 91 91 VAL CB C 118 32.980 32.167 0.813 1
1 994 . 2 1 1 A 91 91 VAL N N 118 120.460 122.879 -2.419 1
1 995 . 2 1 1 A 92 92 VAL H H 119 8.180 8.270 -0.090 1
1 996 . 2 1 1 A 92 92 VAL HA H 119 4.040 4.431 -0.391 1
1 1004 . 2 1 1 A 92 92 VAL C C 119 172.960 175.363 -2.403 1
1 1005 . 2 1 1 A 92 92 VAL CA C 119 62.250 61.656 0.594 1
1 1006 . 2 1 1 A 92 92 VAL CB C 119 33.280 33.391 -0.111 1
1 1008 . 2 1 1 A 92 92 VAL N N 119 125.030 123.972 1.058 1
1 1009 . 2 1 1 A 93 93 ILE H H 120 8.220 8.780 -0.560 1
1 1010 . 2 1 1 A 93 93 ILE HA H 120 4.110 4.104 0.006 1
1 1015 . 2 1 1 A 93 93 ILE C C 120 173.440 175.716 -2.276 1
1 1016 . 2 1 1 A 93 93 ILE CA C 120 61.050 59.956 1.094 1
1 1017 . 2 1 1 A 93 93 ILE CB C 120 39.030 37.458 1.572 1
1 1021 . 2 1 1 A 93 93 ILE N N 120 125.690 127.800 -2.110 1
1 1022 . 2 1 1 A 94 94 GLY H H 121 8.190 8.281 -0.091 1
1 1023 . 2 1 1 A 94 94 GLY HA2 H 121 4.050 3.894 0.156 1
1 1024 . 2 1 1 A 94 94 GLY HA3 H 121 3.940 3.923 0.017 1
1 1025 . 2 1 1 A 94 94 GLY C C 121 169.080 174.868 -5.788 1
1 1026 . 2 1 1 A 94 94 GLY CA C 121 44.850 46.412 -1.562 1
1 1027 . 2 1 1 A 94 94 GLY N N 121 113.150 115.940 -2.790 1
1 1028 . 2 1 1 A 95 95 PRO HA H 122 4.270 4.502 -0.232 1
1 1032 . 2 1 1 A 95 95 PRO CA C 122 63.340 62.678 0.662 1
1 1033 . 2 1 1 A 95 95 PRO CB C 122 32.160 32.330 -0.170 1
1 1036 . 2 1 1 A 96 96 PHE H H 123 8.140 8.531 -0.391 1
1 1037 . 2 1 1 A 96 96 PHE HA H 123 4.510 4.729 -0.219 1
1 1040 . 2 1 1 A 96 96 PHE C C 123 172.700 175.989 -3.289 1
1 1041 . 2 1 1 A 96 96 PHE CA C 123 58.040 57.683 0.357 1
1 1042 . 2 1 1 A 96 96 PHE CB C 123 39.710 39.793 -0.083 1
1 1043 . 2 1 1 A 96 96 PHE N N 123 119.410 120.166 -0.756 1
1 1044 . 2 1 1 A 97 97 PHE H H 124 8.000 9.045 -1.045 1
1 1045 . 2 1 1 A 97 97 PHE HA H 124 4.490 4.668 -0.178 1
1 1048 . 2 1 1 A 97 97 PHE C C 124 172.140 176.225 -4.085 1
1 1049 . 2 1 1 A 97 97 PHE CA C 124 58.000 58.921 -0.921 1
1 1050 . 2 1 1 A 97 97 PHE CB C 124 40.140 39.719 0.421 1
1 1051 . 2 1 1 A 97 97 PHE N N 124 122.180 120.663 1.517 1
1 1052 . 2 1 1 A 98 98 ASP H H 125 8.100 9.344 -1.244 1
1 1053 . 2 1 1 A 98 98 ASP HA H 125 4.400 4.639 -0.239 1
1 1056 . 2 1 1 A 98 98 ASP C C 125 173.870 177.249 -3.379 1
1 1057 . 2 1 1 A 98 98 ASP CA C 125 54.470 54.874 -0.404 1
1 1058 . 2 1 1 A 98 98 ASP CB C 125 41.390 41.709 -0.319 1
1 1059 . 2 1 1 A 98 98 ASP N N 125 123.000 122.413 0.587 1
1 1060 . 2 1 1 A 99 99 GLY H H 126 8.010 8.092 -0.082 1
1 1061 . 2 1 1 A 99 99 GLY HA3 H 126 3.860 3.974 -0.114 1
1 1062 . 2 1 1 A 99 99 GLY C C 126 171.640 174.870 -3.230 1
1 1063 . 2 1 1 A 99 99 GLY CA C 126 45.860 46.661 -0.801 1
1 1064 . 2 1 1 A 99 99 GLY N N 126 109.280 107.955 1.325 1
1 1065 . 2 1 1 A 100 100 SER H H 127 8.110 8.165 -0.055 1
1 1066 . 2 1 1 A 100 100 SER HA H 127 4.320 4.601 -0.281 1
1 1069 . 2 1 1 A 100 100 SER C C 127 171.520 173.702 -2.182 1
1 1070 . 2 1 1 A 100 100 SER CA C 127 59.190 58.265 0.925 1
1 1071 . 2 1 1 A 100 100 SER CB C 127 64.240 64.758 -0.518 1
1 1072 . 2 1 1 A 100 100 SER N N 127 115.760 113.720 2.040 1
1 1073 . 2 1 1 A 101 101 ILE H H 128 7.960 8.394 -0.434 1
1 1074 . 2 1 1 A 101 101 ILE HA H 128 4.110 4.562 -0.452 1
1 1084 . 2 1 1 A 101 101 ILE C C 128 172.590 175.674 -3.084 1
1 1085 . 2 1 1 A 101 101 ILE CA C 128 61.800 60.172 1.628 1
1 1086 . 2 1 1 A 101 101 ILE CB C 128 38.820 39.015 -0.195 1
1 1090 . 2 1 1 A 101 101 ILE N N 128 122.050 122.047 0.003 1
1 1 . 3 1 1 A 2 2 PRO HA H 29 4.310 4.529 -0.219 1
1 8 . 3 1 1 A 2 2 PRO CA C 29 64.380 63.182 1.198 1
1 9 . 3 1 1 A 2 2 PRO CB C 29 32.300 31.901 0.399 1
1 12 . 3 1 1 A 3 3 GLU H H 30 9.010 8.767 0.243 1
1 13 . 3 1 1 A 3 3 GLU HA H 30 4.170 4.758 -0.588 1
1 18 . 3 1 1 A 3 3 GLU C C 30 173.730 174.699 -0.969 1
1 19 . 3 1 1 A 3 3 GLU CA C 30 57.560 55.291 2.269 1
1 20 . 3 1 1 A 3 3 GLU CB C 30 29.400 30.478 -1.078 1
1 22 . 3 1 1 A 3 3 GLU N N 30 118.790 123.992 -5.202 1
1 23 . 3 1 1 A 4 4 ASP H H 31 7.940 8.896 -0.956 1
1 24 . 3 1 1 A 4 4 ASP HA H 31 4.560 4.680 -0.120 1
1 27 . 3 1 1 A 4 4 ASP C C 31 173.600 175.305 -1.705 1
1 28 . 3 1 1 A 4 4 ASP CA C 31 54.940 53.744 1.196 1
1 29 . 3 1 1 A 4 4 ASP CB C 31 41.650 40.327 1.323 1
1 30 . 3 1 1 A 4 4 ASP N N 31 119.920 124.813 -4.893 1
1 31 . 3 1 1 A 5 5 THR H H 32 7.810 8.233 -0.423 1
1 32 . 3 1 1 A 5 5 THR HA H 32 4.160 4.668 -0.508 1
1 37 . 3 1 1 A 5 5 THR C C 32 171.630 173.690 -2.060 1
1 38 . 3 1 1 A 5 5 THR CA C 32 62.410 60.713 1.697 1
1 39 . 3 1 1 A 5 5 THR CB C 32 70.040 69.229 0.811 1
1 41 . 3 1 1 A 5 5 THR N N 32 113.570 120.125 -6.555 1
1 42 . 3 1 1 A 6 6 LEU H H 33 8.100 8.664 -0.564 1
1 43 . 3 1 1 A 6 6 LEU HA H 33 4.490 4.568 -0.078 1
1 53 . 3 1 1 A 6 6 LEU C C 33 172.440 174.947 -2.507 1
1 54 . 3 1 1 A 6 6 LEU CA C 33 53.430 53.243 0.187 1
1 55 . 3 1 1 A 6 6 LEU CB C 33 41.900 41.382 0.518 1
1 59 . 3 1 1 A 6 6 LEU N N 33 125.790 126.559 -0.769 1
1 60 . 3 1 1 A 7 7 PRO HA H 34 4.130 4.541 -0.411 1
1 67 . 3 1 1 A 7 7 PRO CA C 34 63.660 62.876 0.784 1
1 68 . 3 1 1 A 7 7 PRO CB C 34 31.970 31.938 0.032 1
1 71 . 3 1 1 A 8 8 PHE H H 35 7.610 8.378 -0.768 1
1 72 . 3 1 1 A 8 8 PHE HA H 35 4.580 4.822 -0.242 1
1 77 . 3 1 1 A 8 8 PHE C C 35 171.110 174.512 -3.402 1
1 78 . 3 1 1 A 8 8 PHE CA C 35 57.690 56.028 1.662 1
1 79 . 3 1 1 A 8 8 PHE CB C 35 40.850 38.595 2.255 1
1 80 . 3 1 1 A 8 8 PHE N N 35 117.670 117.256 0.414 1
1 81 . 3 1 1 A 9 9 LEU H H 36 8.310 7.792 0.518 1
1 82 . 3 1 1 A 9 9 LEU HA H 36 4.420 4.822 -0.402 1
1 92 . 3 1 1 A 9 9 LEU C C 36 171.050 174.033 -2.983 1
1 93 . 3 1 1 A 9 9 LEU CA C 36 54.770 54.461 0.309 1
1 94 . 3 1 1 A 9 9 LEU CB C 36 44.230 45.190 -0.960 1
1 98 . 3 1 1 A 9 9 LEU N N 36 125.150 122.014 3.136 1
1 99 . 3 1 1 A 10 10 LYS H H 37 8.130 9.354 -1.224 1
1 100 . 3 1 1 A 10 10 LYS HA H 37 5.110 5.238 -0.128 1
1 109 . 3 1 1 A 10 10 LYS C C 37 172.470 175.023 -2.553 1
1 110 . 3 1 1 A 10 10 LYS CA C 37 54.730 55.089 -0.359 1
1 111 . 3 1 1 A 10 10 LYS CB C 37 35.010 34.395 0.615 1
1 115 . 3 1 1 A 10 10 LYS N N 37 123.550 128.087 -4.537 1
1 116 . 3 1 1 A 11 11 CYS H H 38 9.240 8.854 0.386 1
1 117 . 3 1 1 A 11 11 CYS HA H 38 4.890 5.460 -0.570 1
1 120 . 3 1 1 A 11 11 CYS C C 38 171.750 172.005 -0.255 1
1 121 . 3 1 1 A 11 11 CYS CA C 38 51.950 54.819 -2.869 1
1 122 . 3 1 1 A 11 11 CYS CB C 38 41.360 45.147 -3.787 1
1 123 . 3 1 1 A 11 11 CYS N N 38 121.580 124.221 -2.641 1
1 124 . 3 1 1 A 12 12 TYR H H 39 8.830 8.961 -0.131 1
1 125 . 3 1 1 A 12 12 TYR HA H 39 4.780 4.756 0.024 1
1 132 . 3 1 1 A 12 12 TYR C C 39 172.260 174.752 -2.492 1
1 133 . 3 1 1 A 12 12 TYR CA C 39 58.500 58.721 -0.221 1
1 134 . 3 1 1 A 12 12 TYR CB C 39 40.900 39.446 1.454 1
1 135 . 3 1 1 A 12 12 TYR N N 39 122.390 125.594 -3.204 1
1 136 . 3 1 1 A 13 13 CYS H H 40 7.690 8.024 -0.334 1
1 137 . 3 1 1 A 13 13 CYS HA H 40 4.420 5.776 -1.356 1
1 140 . 3 1 1 A 13 13 CYS CA C 40 53.850 54.069 -0.219 1
1 141 . 3 1 1 A 13 13 CYS CB C 40 48.920 45.264 3.656 1
1 142 . 3 1 1 A 14 14 SER H H 41 7.850 8.861 -1.011 1
1 143 . 3 1 1 A 14 14 SER HA H 41 4.160 4.964 -0.804 1
1 146 . 3 1 1 A 14 14 SER CA C 41 58.450 57.333 1.117 1
1 147 . 3 1 1 A 14 14 SER CB C 41 63.840 66.424 -2.584 1
1 148 . 3 1 1 A 14 14 SER N N 41 117.020 119.281 -2.261 1
1 149 . 3 1 1 A 16 16 HIS HA H 43 4.880 4.790 0.090 1
1 152 . 3 1 1 A 16 16 HIS CA C 43 54.770 54.312 0.458 1
1 153 . 3 1 1 A 16 16 HIS CB C 43 29.490 31.585 -2.095 1
1 154 . 3 1 1 A 17 17 CYS H H 44 8.560 8.422 0.138 1
1 155 . 3 1 1 A 18 18 PRO HA H 45 4.660 4.548 0.112 1
1 160 . 3 1 1 A 18 18 PRO CA C 45 62.500 62.777 -0.277 1
1 161 . 3 1 1 A 18 18 PRO CB C 45 33.140 32.820 0.320 1
1 164 . 3 1 1 A 19 19 ASP H H 46 8.800 8.621 0.179 1
1 165 . 3 1 1 A 19 19 ASP HA H 46 4.250 4.268 -0.018 1
1 168 . 3 1 1 A 19 19 ASP C C 46 173.430 176.568 -3.138 1
1 169 . 3 1 1 A 19 19 ASP CA C 46 57.190 56.933 0.257 1
1 170 . 3 1 1 A 19 19 ASP CB C 46 40.720 40.589 0.131 1
1 171 . 3 1 1 A 19 19 ASP N N 46 120.170 121.901 -1.731 1
1 172 . 3 1 1 A 20 20 ASP H H 47 8.050 8.250 -0.200 1
1 173 . 3 1 1 A 20 20 ASP HA H 47 4.510 4.636 -0.126 1
1 176 . 3 1 1 A 20 20 ASP C C 47 173.500 176.011 -2.511 1
1 177 . 3 1 1 A 20 20 ASP CA C 47 52.840 53.075 -0.235 1
1 178 . 3 1 1 A 20 20 ASP CB C 47 39.980 39.729 0.251 1
1 179 . 3 1 1 A 20 20 ASP N N 47 114.670 114.669 0.001 1
1 180 . 3 1 1 A 21 21 ALA H H 48 7.350 7.270 0.080 1
1 181 . 3 1 1 A 21 21 ALA HA H 48 4.280 4.286 -0.006 1
1 185 . 3 1 1 A 21 21 ALA C C 48 174.490 176.786 -2.296 1
1 186 . 3 1 1 A 21 21 ALA CA C 48 53.430 52.276 1.154 1
1 187 . 3 1 1 A 21 21 ALA CB C 48 20.870 20.021 0.849 1
1 188 . 3 1 1 A 21 21 ALA N N 48 122.660 122.455 0.205 1
1 189 . 3 1 1 A 22 22 ILE H H 49 7.960 8.146 -0.186 1
1 190 . 3 1 1 A 22 22 ILE HA H 49 4.240 4.584 -0.344 1
1 199 . 3 1 1 A 22 22 ILE C C 49 173.300 176.283 -2.983 1
1 200 . 3 1 1 A 22 22 ILE CA C 49 60.230 59.710 0.520 1
1 201 . 3 1 1 A 22 22 ILE CB C 49 40.280 40.212 0.068 1
1 205 . 3 1 1 A 22 22 ILE N N 49 119.550 119.796 -0.246 1
1 206 . 3 1 1 A 23 23 ASN H H 50 9.280 9.096 0.184 1
1 207 . 3 1 1 A 23 23 ASN HA H 50 4.290 4.444 -0.154 1
1 212 . 3 1 1 A 23 23 ASN CA C 50 54.660 53.871 0.789 1
1 213 . 3 1 1 A 23 23 ASN CB C 50 37.620 36.176 1.444 1
1 214 . 3 1 1 A 23 23 ASN N N 50 125.470 125.345 0.125 1
1 216 . 3 1 1 A 24 24 ASN H H 51 8.850 8.476 0.374 1
1 217 . 3 1 1 A 24 24 ASN HA H 51 4.070 4.069 0.001 1
1 222 . 3 1 1 A 24 24 ASN C C 51 170.660 173.675 -3.015 1
1 223 . 3 1 1 A 24 24 ASN CA C 51 56.080 54.391 1.689 1
1 224 . 3 1 1 A 24 24 ASN CB C 51 37.430 36.756 0.674 1
1 226 . 3 1 1 A 25 25 THR H H 52 7.190 7.468 -0.278 1
1 227 . 3 1 1 A 25 25 THR HA H 52 5.370 5.167 0.203 1
1 232 . 3 1 1 A 25 25 THR C C 52 169.910 172.504 -2.594 1
1 233 . 3 1 1 A 25 25 THR CA C 52 59.890 59.547 0.343 1
1 234 . 3 1 1 A 25 25 THR CB C 52 73.940 72.482 1.458 1
1 236 . 3 1 1 A 25 25 THR N N 52 105.820 106.123 -0.303 1
1 237 . 3 1 1 A 26 26 CYS H H 53 8.960 8.927 0.033 1
1 238 . 3 1 1 A 26 26 CYS HA H 53 5.000 5.430 -0.430 1
1 241 . 3 1 1 A 26 26 CYS C C 53 168.780 171.667 -2.887 1
1 242 . 3 1 1 A 26 26 CYS CA C 53 52.560 53.642 -1.082 1
1 243 . 3 1 1 A 26 26 CYS CB C 53 48.650 46.405 2.245 1
1 244 . 3 1 1 A 26 26 CYS N N 53 116.070 119.227 -3.157 1
1 245 . 3 1 1 A 27 27 ILE H H 54 8.530 8.537 -0.007 1
1 246 . 3 1 1 A 27 27 ILE HA H 54 5.210 4.961 0.249 1
1 256 . 3 1 1 A 27 27 ILE C C 54 173.400 174.736 -1.336 1
1 257 . 3 1 1 A 27 27 ILE CA C 54 59.200 60.340 -1.140 1
1 258 . 3 1 1 A 27 27 ILE CB C 54 40.220 39.834 0.386 1
1 262 . 3 1 1 A 27 27 ILE N N 54 120.170 121.220 -1.050 1
1 263 . 3 1 1 A 28 28 THR H H 55 9.200 8.813 0.387 1
1 264 . 3 1 1 A 28 28 THR HA H 55 4.800 5.177 -0.377 1
1 269 . 3 1 1 A 28 28 THR C C 55 168.370 172.598 -4.228 1
1 270 . 3 1 1 A 28 28 THR CA C 55 60.060 59.728 0.332 1
1 271 . 3 1 1 A 28 28 THR CB C 55 70.490 71.376 -0.886 1
1 273 . 3 1 1 A 28 28 THR N N 55 120.750 120.681 0.069 1
1 274 . 3 1 1 A 29 29 ASN H H 56 8.000 8.429 -0.429 1
1 275 . 3 1 1 A 29 29 ASN HA H 56 4.920 4.864 0.056 1
1 280 . 3 1 1 A 29 29 ASN C C 56 172.880 175.414 -2.534 1
1 281 . 3 1 1 A 29 29 ASN CA C 56 52.620 51.495 1.125 1
1 282 . 3 1 1 A 29 29 ASN CB C 56 38.920 38.083 0.837 1
1 283 . 3 1 1 A 29 29 ASN N N 56 120.880 123.513 -2.633 1
1 285 . 3 1 1 A 30 30 GLY H H 57 8.510 7.576 0.934 1
1 286 . 3 1 1 A 30 30 GLY HA2 H 57 4.140 3.834 0.306 1
1 287 . 3 1 1 A 30 30 GLY HA3 H 57 3.960 3.876 0.084 1
1 288 . 3 1 1 A 30 30 GLY C C 57 169.020 172.905 -3.885 1
1 289 . 3 1 1 A 30 30 GLY CA C 57 45.800 45.252 0.548 1
1 290 . 3 1 1 A 30 30 GLY N N 57 111.380 109.307 2.073 1
1 291 . 3 1 1 A 31 31 HIS H H 58 8.560 7.650 0.910 1
1 292 . 3 1 1 A 31 31 HIS HA H 58 4.710 5.307 -0.597 1
1 295 . 3 1 1 A 31 31 HIS C C 58 171.200 173.914 -2.714 1
1 296 . 3 1 1 A 31 31 HIS CA C 58 56.140 54.682 1.458 1
1 297 . 3 1 1 A 31 31 HIS CB C 58 34.650 34.010 0.640 1
1 298 . 3 1 1 A 31 31 HIS N N 58 120.870 115.080 5.790 1
1 299 . 3 1 1 A 32 32 CYS H H 59 8.710 8.420 0.290 1
1 300 . 3 1 1 A 32 32 CYS HA H 59 5.700 5.272 0.428 1
1 303 . 3 1 1 A 32 32 CYS C C 59 173.470 173.478 -0.008 1
1 304 . 3 1 1 A 32 32 CYS CA C 59 52.340 55.175 -2.835 1
1 305 . 3 1 1 A 32 32 CYS CB C 59 36.950 44.196 -7.246 1
1 306 . 3 1 1 A 32 32 CYS N N 59 117.290 119.623 -2.333 1
1 307 . 3 1 1 A 33 33 PHE H H 60 8.700 8.480 0.220 1
1 308 . 3 1 1 A 33 33 PHE HA H 60 6.110 5.709 0.401 1
1 316 . 3 1 1 A 33 33 PHE C C 60 172.200 172.872 -0.672 1
1 317 . 3 1 1 A 33 33 PHE CA C 60 56.630 55.419 1.211 1
1 318 . 3 1 1 A 33 33 PHE CB C 60 44.830 42.454 2.376 1
1 319 . 3 1 1 A 33 33 PHE N N 60 116.070 120.109 -4.039 1
1 320 . 3 1 1 A 34 34 ALA H H 61 9.200 8.441 0.759 1
1 321 . 3 1 1 A 34 34 ALA HA H 61 5.000 4.905 0.095 1
1 325 . 3 1 1 A 34 34 ALA C C 61 171.610 175.614 -4.004 1
1 326 . 3 1 1 A 34 34 ALA CA C 61 52.320 51.484 0.836 1
1 327 . 3 1 1 A 34 34 ALA CB C 61 23.950 23.323 0.627 1
1 328 . 3 1 1 A 34 34 ALA N N 61 125.170 121.030 4.140 1
1 329 . 3 1 1 A 35 35 ILE H H 62 9.470 8.560 0.910 1
1 330 . 3 1 1 A 35 35 ILE HA H 62 5.350 4.893 0.457 1
1 340 . 3 1 1 A 35 35 ILE C C 62 170.850 173.291 -2.441 1
1 341 . 3 1 1 A 35 35 ILE CA C 62 59.260 59.593 -0.333 1
1 342 . 3 1 1 A 35 35 ILE CB C 62 43.660 42.333 1.327 1
1 346 . 3 1 1 A 35 35 ILE N N 62 120.630 119.304 1.326 1
1 347 . 3 1 1 A 36 36 ILE H H 63 8.500 8.816 -0.316 1
1 348 . 3 1 1 A 36 36 ILE HA H 63 5.240 5.232 0.008 1
1 358 . 3 1 1 A 36 36 ILE C C 63 170.510 173.084 -2.574 1
1 359 . 3 1 1 A 36 36 ILE CA C 63 59.130 59.201 -0.071 1
1 360 . 3 1 1 A 36 36 ILE CB C 63 41.670 42.471 -0.801 1
1 364 . 3 1 1 A 36 36 ILE N N 63 125.830 126.103 -0.273 1
1 365 . 3 1 1 A 37 37 GLU H H 64 8.450 8.749 -0.299 1
1 366 . 3 1 1 A 37 37 GLU HA H 64 5.010 4.882 0.128 1
1 371 . 3 1 1 A 37 37 GLU C C 64 171.410 174.435 -3.025 1
1 372 . 3 1 1 A 37 37 GLU CA C 64 54.830 54.990 -0.160 1
1 373 . 3 1 1 A 37 37 GLU CB C 64 34.320 34.332 -0.012 1
1 375 . 3 1 1 A 37 37 GLU N N 64 124.570 127.023 -2.453 1
1 376 . 3 1 1 A 38 38 GLU H H 65 8.300 8.592 -0.292 1
1 377 . 3 1 1 A 38 38 GLU HA H 65 5.040 4.953 0.087 1
1 382 . 3 1 1 A 38 38 GLU C C 65 172.920 175.931 -3.011 1
1 383 . 3 1 1 A 38 38 GLU CA C 65 54.760 55.109 -0.349 1
1 384 . 3 1 1 A 38 38 GLU CB C 65 33.470 31.652 1.818 1
1 386 . 3 1 1 A 38 38 GLU N N 65 123.960 123.676 0.284 1
1 387 . 3 1 1 A 39 39 ASP H H 66 8.470 8.327 0.143 1
1 388 . 3 1 1 A 39 39 ASP HA H 66 4.750 4.896 -0.146 1
1 391 . 3 1 1 A 39 39 ASP C C 66 174.940 177.098 -2.158 1
1 392 . 3 1 1 A 39 39 ASP CA C 66 52.890 52.521 0.369 1
1 393 . 3 1 1 A 39 39 ASP CB C 66 41.990 41.382 0.608 1
1 394 . 3 1 1 A 39 39 ASP N N 66 124.870 126.797 -1.927 1
1 395 . 3 1 1 A 40 40 ASP H H 67 8.380 8.750 -0.370 1
1 396 . 3 1 1 A 40 40 ASP HA H 67 4.310 4.258 0.052 1
1 399 . 3 1 1 A 40 40 ASP C C 67 174.210 177.372 -3.162 1
1 400 . 3 1 1 A 40 40 ASP CA C 67 56.350 56.654 -0.304 1
1 401 . 3 1 1 A 40 40 ASP CB C 67 40.510 40.460 0.050 1
1 402 . 3 1 1 A 40 40 ASP N N 67 116.220 118.595 -2.375 1
1 403 . 3 1 1 A 41 41 GLN H H 68 8.200 7.748 0.452 1
1 404 . 3 1 1 A 41 41 GLN HA H 68 4.380 4.373 0.007 1
1 411 . 3 1 1 A 41 41 GLN C C 68 173.740 176.462 -2.722 1
1 412 . 3 1 1 A 41 41 GLN CA C 68 55.590 55.564 0.026 1
1 413 . 3 1 1 A 41 41 GLN CB C 68 29.780 29.503 0.277 1
1 415 . 3 1 1 A 41 41 GLN N N 68 117.190 116.668 0.522 1
1 417 . 3 1 1 A 42 42 GLY H H 69 8.000 8.226 -0.226 1
1 418 . 3 1 1 A 42 42 GLY HA2 H 69 3.630 3.904 -0.274 1
1 419 . 3 1 1 A 42 42 GLY HA3 H 69 4.140 3.904 0.236 1
1 420 . 3 1 1 A 42 42 GLY C C 69 171.650 174.297 -2.647 1
1 421 . 3 1 1 A 42 42 GLY CA C 69 45.730 45.675 0.055 1
1 422 . 3 1 1 A 42 42 GLY N N 69 108.130 108.571 -0.441 1
1 423 . 3 1 1 A 43 43 GLU H H 70 8.410 8.260 0.150 1
1 424 . 3 1 1 A 43 43 GLU HA H 70 4.450 4.593 -0.143 1
1 429 . 3 1 1 A 43 43 GLU C C 70 173.970 176.346 -2.376 1
1 430 . 3 1 1 A 43 43 GLU CA C 70 56.020 55.274 0.746 1
1 431 . 3 1 1 A 43 43 GLU CB C 70 30.300 31.079 -0.779 1
1 433 . 3 1 1 A 43 43 GLU N N 70 122.300 119.774 2.526 1
1 434 . 3 1 1 A 44 44 THR H H 71 8.620 8.483 0.137 1
1 435 . 3 1 1 A 44 44 THR HA H 71 5.210 5.189 0.021 1
1 440 . 3 1 1 A 44 44 THR C C 71 172.160 174.066 -1.906 1
1 441 . 3 1 1 A 44 44 THR CA C 71 61.600 60.844 0.756 1
1 442 . 3 1 1 A 44 44 THR CB C 71 71.000 70.115 0.885 1
1 444 . 3 1 1 A 44 44 THR N N 71 117.330 113.874 3.456 1
1 445 . 3 1 1 A 45 45 THR H H 72 8.760 8.689 0.071 1
1 446 . 3 1 1 A 45 45 THR HA H 72 4.500 5.067 -0.567 1
1 451 . 3 1 1 A 45 45 THR C C 72 169.600 173.684 -4.084 1
1 452 . 3 1 1 A 45 45 THR CA C 72 61.270 60.580 0.690 1
1 453 . 3 1 1 A 45 45 THR CB C 72 72.320 70.026 2.294 1
1 455 . 3 1 1 A 45 45 THR N N 72 117.840 118.031 -0.191 1
1 456 . 3 1 1 A 46 46 LEU H H 73 8.400 9.173 -0.773 1
1 457 . 3 1 1 A 46 46 LEU HA H 73 5.250 5.083 0.167 1
1 464 . 3 1 1 A 46 46 LEU C C 73 173.150 175.536 -2.386 1
1 465 . 3 1 1 A 46 46 LEU CA C 73 54.300 53.892 0.408 1
1 466 . 3 1 1 A 46 46 LEU CB C 73 44.860 43.650 1.210 1
1 470 . 3 1 1 A 46 46 LEU N N 73 126.020 127.652 -1.632 1
1 471 . 3 1 1 A 47 47 ALA HA H 74 4.760 5.466 -0.706 1
1 475 . 3 1 1 A 47 47 ALA C C 74 172.740 175.390 -2.650 1
1 476 . 3 1 1 A 47 47 ALA CA C 74 51.440 50.831 0.609 1
1 477 . 3 1 1 A 47 47 ALA CB C 74 23.350 23.466 -0.116 1
1 478 . 3 1 1 A 48 48 SER H H 75 8.700 8.224 0.476 1
1 479 . 3 1 1 A 48 48 SER HA H 75 4.500 4.588 -0.088 1
1 482 . 3 1 1 A 48 48 SER C C 75 171.590 173.013 -1.423 1
1 483 . 3 1 1 A 48 48 SER CA C 75 57.740 56.366 1.374 1
1 484 . 3 1 1 A 48 48 SER CB C 75 65.700 65.951 -0.251 1
1 485 . 3 1 1 A 48 48 SER N N 75 111.400 113.931 -2.531 1
1 486 . 3 1 1 A 49 49 GLY H H 76 6.440 7.273 -0.833 1
1 487 . 3 1 1 A 49 49 GLY HA2 H 76 3.850 3.897 -0.047 1
1 488 . 3 1 1 A 49 49 GLY HA3 H 76 3.730 3.914 -0.184 1
1 489 . 3 1 1 A 49 49 GLY C C 76 167.890 171.329 -3.439 1
1 490 . 3 1 1 A 49 49 GLY CA C 76 47.420 45.914 1.506 1
1 491 . 3 1 1 A 49 49 GLY N N 76 105.480 105.563 -0.083 1
1 492 . 3 1 1 A 50 50 CYS H H 77 8.740 8.375 0.365 1
1 493 . 3 1 1 A 50 50 CYS HA H 77 4.950 5.366 -0.416 1
1 496 . 3 1 1 A 50 50 CYS C C 77 170.670 172.814 -2.144 1
1 497 . 3 1 1 A 50 50 CYS CA C 77 60.030 55.311 4.719 1
1 498 . 3 1 1 A 50 50 CYS CB C 77 46.100 43.457 2.643 1
1 499 . 3 1 1 A 50 50 CYS N N 77 118.960 120.041 -1.081 1
1 500 . 3 1 1 A 51 51 MET H H 78 9.240 9.063 0.177 1
1 501 . 3 1 1 A 51 51 MET HA H 78 4.760 5.005 -0.245 1
1 509 . 3 1 1 A 51 51 MET C C 78 171.990 175.910 -3.920 1
1 510 . 3 1 1 A 51 51 MET CA C 78 54.630 54.171 0.459 1
1 511 . 3 1 1 A 51 51 MET CB C 78 35.810 35.144 0.666 1
1 514 . 3 1 1 A 51 51 MET N N 78 122.340 125.937 -3.597 1
1 515 . 3 1 1 A 52 52 LYS H H 79 8.430 8.405 0.025 1
1 516 . 3 1 1 A 52 52 LYS HA H 79 4.160 4.228 -0.068 1
1 525 . 3 1 1 A 52 52 LYS C C 79 173.040 175.797 -2.757 1
1 526 . 3 1 1 A 52 52 LYS CA C 79 57.120 56.273 0.847 1
1 527 . 3 1 1 A 52 52 LYS CB C 79 33.720 32.747 0.973 1
1 531 . 3 1 1 A 52 52 LYS N N 79 125.030 124.207 0.823 1
1 532 . 3 1 1 A 53 53 TYR H H 80 8.400 8.163 0.237 1
1 533 . 3 1 1 A 53 53 TYR HA H 80 4.200 4.530 -0.330 1
1 536 . 3 1 1 A 53 53 TYR C C 80 173.370 175.198 -1.828 1
1 537 . 3 1 1 A 53 53 TYR CA C 80 59.910 59.392 0.518 1
1 538 . 3 1 1 A 53 53 TYR CB C 80 39.000 39.233 -0.233 1
1 539 . 3 1 1 A 53 53 TYR N N 80 121.420 121.395 0.025 1
1 540 . 3 1 1 A 54 54 GLU H H 81 8.490 8.188 0.302 1
1 541 . 3 1 1 A 54 54 GLU HA H 81 4.170 4.488 -0.318 1
1 545 . 3 1 1 A 54 54 GLU C C 81 173.240 176.567 -3.327 1
1 546 . 3 1 1 A 54 54 GLU CA C 81 56.440 55.333 1.107 1
1 547 . 3 1 1 A 54 54 GLU CB C 81 30.860 30.437 0.423 1
1 549 . 3 1 1 A 54 54 GLU N N 81 123.790 124.323 -0.533 1
1 550 . 3 1 1 A 55 55 GLY H H 82 7.200 7.004 0.196 1
1 551 . 3 1 1 A 55 55 GLY HA2 H 82 4.050 3.878 0.172 1
1 552 . 3 1 1 A 55 55 GLY HA3 H 82 3.690 3.885 -0.195 1
1 553 . 3 1 1 A 55 55 GLY C C 82 171.520 174.466 -2.946 1
1 554 . 3 1 1 A 55 55 GLY CA C 82 45.680 45.014 0.666 1
1 555 . 3 1 1 A 55 55 GLY N N 82 108.400 109.300 -0.900 1
1 556 . 3 1 1 A 56 56 SER H H 83 8.140 7.698 0.442 1
1 557 . 3 1 1 A 56 56 SER HA H 83 4.280 4.361 -0.081 1
1 560 . 3 1 1 A 56 56 SER C C 83 171.900 174.203 -2.303 1
1 561 . 3 1 1 A 56 56 SER CA C 83 59.270 59.611 -0.341 1
1 562 . 3 1 1 A 56 56 SER CB C 83 63.960 63.169 0.791 1
1 563 . 3 1 1 A 56 56 SER N N 83 114.650 116.785 -2.135 1
1 564 . 3 1 1 A 57 57 ASP H H 84 8.340 9.052 -0.712 1
1 565 . 3 1 1 A 57 57 ASP HA H 84 4.430 4.774 -0.344 1
1 568 . 3 1 1 A 57 57 ASP C C 84 173.100 176.232 -3.132 1
1 569 . 3 1 1 A 57 57 ASP CA C 84 54.950 56.036 -1.086 1
1 570 . 3 1 1 A 57 57 ASP CB C 84 40.840 42.098 -1.258 1
1 571 . 3 1 1 A 57 57 ASP N N 84 121.230 126.634 -5.404 1
1 572 . 3 1 1 A 58 58 PHE H H 85 7.730 7.640 0.090 1
1 573 . 3 1 1 A 58 58 PHE HA H 85 4.260 4.610 -0.350 1
1 581 . 3 1 1 A 58 58 PHE C C 85 172.590 173.110 -0.520 1
1 582 . 3 1 1 A 58 58 PHE CA C 85 58.520 57.614 0.906 1
1 583 . 3 1 1 A 58 58 PHE CB C 85 39.840 39.550 0.290 1
1 584 . 3 1 1 A 58 58 PHE N N 85 118.920 117.818 1.102 1
1 585 . 3 1 1 A 59 59 GLN H H 86 7.790 8.103 -0.313 1
1 586 . 3 1 1 A 59 59 GLN HA H 86 4.070 4.729 -0.659 1
1 593 . 3 1 1 A 59 59 GLN C C 86 172.550 174.731 -2.181 1
1 594 . 3 1 1 A 59 59 GLN CA C 86 56.000 54.651 1.349 1
1 595 . 3 1 1 A 59 59 GLN CB C 86 30.600 31.313 -0.713 1
1 597 . 3 1 1 A 59 59 GLN N N 86 120.280 123.390 -3.110 1
1 599 . 3 1 1 A 60 60 CYS H H 87 8.100 8.776 -0.676 1
1 600 . 3 1 1 A 60 60 CYS HA H 87 4.140 4.942 -0.802 1
1 603 . 3 1 1 A 60 60 CYS C C 87 170.910 172.233 -1.323 1
1 604 . 3 1 1 A 60 60 CYS CA C 87 56.810 55.419 1.391 1
1 605 . 3 1 1 A 60 60 CYS CB C 87 40.780 43.760 -2.980 1
1 606 . 3 1 1 A 60 60 CYS N N 87 118.790 123.792 -5.002 1
1 607 . 3 1 1 A 61 61 LYS H H 88 7.610 7.395 0.215 1
1 608 . 3 1 1 A 61 61 LYS HA H 88 4.280 4.335 -0.055 1
1 617 . 3 1 1 A 61 61 LYS C C 88 172.330 175.434 -3.104 1
1 618 . 3 1 1 A 61 61 LYS CA C 88 56.210 55.965 0.245 1
1 619 . 3 1 1 A 61 61 LYS CB C 88 34.210 33.294 0.916 1
1 623 . 3 1 1 A 61 61 LYS N N 88 120.330 119.715 0.615 1
1 624 . 3 1 1 A 62 62 ASP H H 89 8.180 8.934 -0.754 1
1 625 . 3 1 1 A 62 62 ASP HA H 89 4.500 5.372 -0.872 1
1 628 . 3 1 1 A 62 62 ASP C C 89 172.970 174.611 -1.641 1
1 629 . 3 1 1 A 62 62 ASP CA C 89 54.200 52.413 1.787 1
1 630 . 3 1 1 A 62 62 ASP CB C 89 42.090 44.550 -2.460 1
1 631 . 3 1 1 A 62 62 ASP N N 89 121.190 118.584 2.606 1
1 632 . 3 1 1 A 63 63 SER H H 90 8.190 8.829 -0.639 1
1 633 . 3 1 1 A 63 63 SER HA H 90 4.640 4.688 -0.048 1
1 636 . 3 1 1 A 63 63 SER C C 90 170.240 174.221 -3.981 1
1 637 . 3 1 1 A 63 63 SER CA C 90 56.600 57.240 -0.640 1
1 638 . 3 1 1 A 63 63 SER CB C 90 63.770 62.703 1.067 1
1 639 . 3 1 1 A 63 63 SER N N 90 116.710 119.781 -3.071 1
1 640 . 3 1 1 A 64 64 PRO HA H 91 4.350 4.606 -0.256 1
1 647 . 3 1 1 A 64 64 PRO CA C 91 63.800 62.688 1.112 1
1 648 . 3 1 1 A 64 64 PRO CB C 91 32.410 29.429 2.981 1
1 651 . 3 1 1 A 65 65 LYS H H 92 8.240 8.020 0.220 1
1 652 . 3 1 1 A 65 65 LYS HA H 92 4.210 4.565 -0.355 1
1 661 . 3 1 1 A 65 65 LYS C C 92 173.330 175.139 -1.809 1
1 662 . 3 1 1 A 65 65 LYS CA C 92 56.410 55.359 1.051 1
1 663 . 3 1 1 A 65 65 LYS CB C 92 33.230 33.641 -0.411 1
1 667 . 3 1 1 A 65 65 LYS N N 92 120.180 122.296 -2.116 1
1 668 . 3 1 1 A 66 66 ALA H H 93 8.040 7.443 0.597 1
1 669 . 3 1 1 A 66 66 ALA HA H 93 4.210 4.342 -0.132 1
1 673 . 3 1 1 A 66 66 ALA C C 93 174.580 177.259 -2.679 1
1 674 . 3 1 1 A 66 66 ALA CA C 93 53.020 51.374 1.646 1
1 675 . 3 1 1 A 66 66 ALA CB C 93 19.760 20.099 -0.339 1
1 676 . 3 1 1 A 66 66 ALA N N 93 124.050 123.423 0.627 1
1 677 . 3 1 1 A 67 67 GLN H H 94 8.320 8.131 0.189 1
1 678 . 3 1 1 A 67 67 GLN HA H 94 4.190 4.259 -0.069 1
1 685 . 3 1 1 A 67 67 GLN C C 94 172.780 175.366 -2.586 1
1 686 . 3 1 1 A 67 67 GLN CA C 94 56.750 54.643 2.107 1
1 687 . 3 1 1 A 67 67 GLN CB C 94 29.100 30.147 -1.047 1
1 689 . 3 1 1 A 67 67 GLN N N 94 117.930 118.083 -0.153 1
1 691 . 3 1 1 A 68 68 LEU H H 95 7.730 8.092 -0.362 1
1 692 . 3 1 1 A 68 68 LEU HA H 95 4.360 4.379 -0.019 1
1 702 . 3 1 1 A 68 68 LEU C C 95 174.270 177.092 -2.822 1
1 703 . 3 1 1 A 68 68 LEU CA C 95 54.970 54.992 -0.022 1
1 704 . 3 1 1 A 68 68 LEU CB C 95 43.120 43.175 -0.055 1
1 708 . 3 1 1 A 68 68 LEU N N 95 120.470 123.760 -3.290 1
1 709 . 3 1 1 A 69 69 ARG H H 96 8.600 8.663 -0.063 1
1 710 . 3 1 1 A 69 69 ARG HA H 96 4.230 4.409 -0.179 1
1 718 . 3 1 1 A 69 69 ARG C C 96 171.700 176.262 -4.562 1
1 719 . 3 1 1 A 69 69 ARG CA C 96 56.570 56.412 0.158 1
1 720 . 3 1 1 A 69 69 ARG CB C 96 30.660 30.666 -0.006 1
1 723 . 3 1 1 A 69 69 ARG N N 96 121.670 123.439 -1.769 1
1 725 . 3 1 1 A 70 70 ARG H H 97 7.800 8.670 -0.870 1
1 726 . 3 1 1 A 70 70 ARG HA H 97 5.170 5.189 -0.019 1
1 734 . 3 1 1 A 70 70 ARG C C 97 172.120 173.295 -1.175 1
1 735 . 3 1 1 A 70 70 ARG CA C 97 55.260 54.646 0.614 1
1 736 . 3 1 1 A 70 70 ARG CB C 97 34.040 34.129 -0.089 1
1 739 . 3 1 1 A 70 70 ARG N N 97 120.130 121.117 -0.987 1
1 741 . 3 1 1 A 71 71 THR H H 98 8.610 8.209 0.401 1
1 742 . 3 1 1 A 71 71 THR HA H 98 4.600 5.204 -0.604 1
1 747 . 3 1 1 A 71 71 THR C C 98 169.250 173.536 -4.286 1
1 748 . 3 1 1 A 71 71 THR CA C 98 62.030 61.557 0.473 1
1 749 . 3 1 1 A 71 71 THR CB C 98 71.970 72.213 -0.243 1
1 751 . 3 1 1 A 71 71 THR N N 98 118.550 114.157 4.393 1
1 752 . 3 1 1 A 72 72 ILE H H 99 8.520 8.640 -0.120 1
1 753 . 3 1 1 A 72 72 ILE HA H 99 5.080 5.031 0.049 1
1 763 . 3 1 1 A 72 72 ILE C C 99 170.930 172.942 -2.012 1
1 764 . 3 1 1 A 72 72 ILE CA C 99 59.370 59.394 -0.024 1
1 765 . 3 1 1 A 72 72 ILE CB C 99 42.140 42.330 -0.190 1
1 769 . 3 1 1 A 72 72 ILE N N 99 125.230 122.732 2.498 1
1 770 . 3 1 1 A 73 73 GLU H H 100 8.860 8.632 0.228 1
1 771 . 3 1 1 A 73 73 GLU HA H 100 4.670 4.997 -0.327 1
1 776 . 3 1 1 A 73 73 GLU C C 100 172.200 174.781 -2.581 1
1 777 . 3 1 1 A 73 73 GLU CA C 100 55.840 55.156 0.684 1
1 778 . 3 1 1 A 73 73 GLU CB C 100 34.410 34.233 0.177 1
1 780 . 3 1 1 A 73 73 GLU N N 100 125.680 125.936 -0.256 1
1 781 . 3 1 1 A 74 74 CYS H H 101 8.830 9.010 -0.180 1
1 782 . 3 1 1 A 74 74 CYS HA H 101 5.790 5.542 0.248 1
1 785 . 3 1 1 A 74 74 CYS C C 101 170.360 172.203 -1.843 1
1 786 . 3 1 1 A 74 74 CYS CA C 101 55.010 54.144 0.866 1
1 787 . 3 1 1 A 74 74 CYS CB C 101 45.320 46.361 -1.041 1
1 788 . 3 1 1 A 74 74 CYS N N 101 119.260 117.106 2.154 1
1 789 . 3 1 1 A 75 75 CYS H H 102 9.130 8.503 0.627 1
1 790 . 3 1 1 A 75 75 CYS HA H 102 5.000 5.216 -0.216 1
1 793 . 3 1 1 A 75 75 CYS C C 102 170.670 171.787 -1.117 1
1 794 . 3 1 1 A 75 75 CYS CA C 102 56.180 55.410 0.770 1
1 795 . 3 1 1 A 75 75 CYS CB C 102 46.090 46.294 -0.204 1
1 796 . 3 1 1 A 75 75 CYS N N 102 116.460 118.586 -2.126 1
1 797 . 3 1 1 A 76 76 ARG H H 103 9.240 9.080 0.160 1
1 798 . 3 1 1 A 76 76 ARG HA H 103 4.800 4.770 0.030 1
1 806 . 3 1 1 A 76 76 ARG C C 103 172.120 174.745 -2.625 1
1 807 . 3 1 1 A 76 76 ARG CA C 103 56.230 55.306 0.924 1
1 808 . 3 1 1 A 76 76 ARG CB C 103 32.610 29.796 2.814 1
1 811 . 3 1 1 A 76 76 ARG N N 103 122.520 125.054 -2.534 1
1 813 . 3 1 1 A 77 77 THR H H 104 7.440 7.802 -0.362 1
1 814 . 3 1 1 A 77 77 THR HA H 104 4.600 5.165 -0.565 1
1 819 . 3 1 1 A 77 77 THR C C 104 171.890 173.398 -1.508 1
1 820 . 3 1 1 A 77 77 THR CA C 104 61.270 59.577 1.693 1
1 821 . 3 1 1 A 77 77 THR CB C 104 72.490 72.175 0.315 1
1 823 . 3 1 1 A 77 77 THR N N 104 109.730 112.133 -2.403 1
1 824 . 3 1 1 A 78 78 ASN H H 105 8.590 8.687 -0.097 1
1 825 . 3 1 1 A 78 78 ASN HA H 105 4.790 4.694 0.096 1
1 830 . 3 1 1 A 78 78 ASN C C 105 174.150 175.302 -1.152 1
1 831 . 3 1 1 A 78 78 ASN CA C 105 55.870 54.095 1.775 1
1 832 . 3 1 1 A 78 78 ASN CB C 105 39.260 38.255 1.005 1
1 833 . 3 1 1 A 78 78 ASN N N 105 119.360 119.625 -0.265 1
1 835 . 3 1 1 A 79 79 LEU H H 106 9.980 8.794 1.186 1
1 836 . 3 1 1 A 79 79 LEU HA H 106 3.680 3.959 -0.279 1
1 846 . 3 1 1 A 79 79 LEU C C 106 175.050 177.538 -2.488 1
1 847 . 3 1 1 A 79 79 LEU CA C 106 56.790 56.044 0.746 1
1 848 . 3 1 1 A 79 79 LEU CB C 106 38.920 39.348 -0.428 1
1 852 . 3 1 1 A 79 79 LEU N N 106 118.230 117.761 0.469 1
1 853 . 3 1 1 A 80 80 CYS H H 107 8.250 8.034 0.216 1
1 854 . 3 1 1 A 80 80 CYS HA H 107 4.320 4.376 -0.056 1
1 857 . 3 1 1 A 80 80 CYS C C 107 172.470 175.966 -3.496 1
1 858 . 3 1 1 A 80 80 CYS CA C 107 58.370 58.868 -0.498 1
1 859 . 3 1 1 A 80 80 CYS CB C 107 46.090 42.146 3.944 1
1 860 . 3 1 1 A 80 80 CYS N N 107 115.460 116.649 -1.189 1
1 861 . 3 1 1 A 81 81 ASN H H 108 8.590 8.086 0.504 1
1 862 . 3 1 1 A 81 81 ASN HA H 108 4.430 4.556 -0.126 1
1 867 . 3 1 1 A 81 81 ASN C C 108 172.210 177.807 -5.597 1
1 868 . 3 1 1 A 81 81 ASN CA C 108 53.320 55.643 -2.323 1
1 869 . 3 1 1 A 81 81 ASN CB C 108 37.290 38.058 -0.768 1
1 870 . 3 1 1 A 81 81 ASN N N 108 118.040 120.348 -2.308 1
1 872 . 3 1 1 A 82 82 GLN H H 109 7.490 7.798 -0.308 1
1 873 . 3 1 1 A 82 82 GLN HA H 109 3.380 3.566 -0.186 1
1 880 . 3 1 1 A 82 82 GLN C C 109 172.300 176.851 -4.551 1
1 881 . 3 1 1 A 82 82 GLN CA C 109 58.940 58.178 0.762 1
1 882 . 3 1 1 A 82 82 GLN CB C 109 28.770 27.766 1.004 1
1 884 . 3 1 1 A 82 82 GLN N N 109 121.350 120.240 1.110 1
1 886 . 3 1 1 A 83 83 TYR H H 110 7.830 7.683 0.147 1
1 887 . 3 1 1 A 83 83 TYR HA H 110 4.590 4.670 -0.080 1
1 892 . 3 1 1 A 83 83 TYR CA C 110 56.490 57.398 -0.908 1
1 893 . 3 1 1 A 83 83 TYR CB C 110 38.400 38.091 0.309 1
1 894 . 3 1 1 A 83 83 TYR N N 110 114.600 116.449 -1.849 1
1 895 . 3 1 1 A 84 84 LEU H H 111 6.610 7.321 -0.711 1
1 896 . 3 1 1 A 84 84 LEU HA H 111 4.170 4.964 -0.794 1
1 905 . 3 1 1 A 84 84 LEU C C 111 172.880 174.830 -1.950 1
1 906 . 3 1 1 A 84 84 LEU CA C 111 55.250 53.557 1.693 1
1 907 . 3 1 1 A 84 84 LEU CB C 111 43.400 44.860 -1.460 1
1 911 . 3 1 1 A 84 84 LEU N N 111 120.140 122.102 -1.962 1
1 912 . 3 1 1 A 85 85 GLN H H 112 8.780 8.940 -0.160 1
1 913 . 3 1 1 A 85 85 GLN HA H 112 4.570 4.837 -0.267 1
1 920 . 3 1 1 A 85 85 GLN C C 112 169.480 174.440 -4.960 1
1 921 . 3 1 1 A 85 85 GLN CA C 112 53.110 52.770 0.340 1
1 922 . 3 1 1 A 85 85 GLN CB C 112 30.000 30.262 -0.262 1
1 924 . 3 1 1 A 85 85 GLN N N 112 122.790 127.790 -5.000 1
1 926 . 3 1 1 A 86 86 PRO HA H 113 4.400 4.891 -0.491 1
1 931 . 3 1 1 A 86 86 PRO CA C 113 63.040 62.523 0.517 1
1 932 . 3 1 1 A 86 86 PRO CB C 113 32.400 32.138 0.262 1
1 935 . 3 1 1 A 87 87 THR H H 114 8.180 8.550 -0.370 1
1 936 . 3 1 1 A 87 87 THR HA H 114 4.400 5.021 -0.621 1
1 941 . 3 1 1 A 87 87 THR C C 114 172.180 173.376 -1.196 1
1 942 . 3 1 1 A 87 87 THR CA C 114 60.960 59.736 1.224 1
1 943 . 3 1 1 A 87 87 THR CB C 114 71.290 72.107 -0.817 1
1 945 . 3 1 1 A 87 87 THR N N 114 111.930 112.649 -0.719 1
1 946 . 3 1 1 A 88 88 LEU H H 115 8.580 8.599 -0.019 1
1 947 . 3 1 1 A 88 88 LEU HA H 115 4.300 4.840 -0.540 1
1 956 . 3 1 1 A 88 88 LEU C C 115 171.740 174.722 -2.982 1
1 957 . 3 1 1 A 88 88 LEU CA C 115 53.230 53.704 -0.474 1
1 958 . 3 1 1 A 88 88 LEU CB C 115 41.900 41.204 0.696 1
1 962 . 3 1 1 A 88 88 LEU N N 115 125.290 124.541 0.749 1
1 963 . 3 1 1 A 89 89 PRO HA H 116 4.630 4.650 -0.020 1
1 970 . 3 1 1 A 89 89 PRO CA C 116 61.580 61.397 0.183 1
1 971 . 3 1 1 A 89 89 PRO CB C 116 30.980 31.678 -0.698 1
1 974 . 3 1 1 A 90 90 PRO HA H 117 4.350 4.679 -0.329 1
1 977 . 3 1 1 A 90 90 PRO CA C 117 63.010 62.798 0.212 1
1 978 . 3 1 1 A 90 90 PRO CB C 117 32.300 32.294 0.006 1
1 981 . 3 1 1 A 91 91 VAL H H 118 8.190 8.507 -0.317 1
1 982 . 3 1 1 A 91 91 VAL HA H 118 3.900 4.579 -0.679 1
1 990 . 3 1 1 A 91 91 VAL C C 118 173.270 173.583 -0.313 1
1 991 . 3 1 1 A 91 91 VAL CA C 118 62.890 60.124 2.766 1
1 992 . 3 1 1 A 91 91 VAL CB C 118 32.980 35.743 -2.763 1
1 994 . 3 1 1 A 91 91 VAL N N 118 120.460 122.136 -1.676 1
1 995 . 3 1 1 A 92 92 VAL H H 119 8.180 8.488 -0.308 1
1 996 . 3 1 1 A 92 92 VAL HA H 119 4.040 4.652 -0.612 1
1 1004 . 3 1 1 A 92 92 VAL C C 119 172.960 175.220 -2.260 1
1 1005 . 3 1 1 A 92 92 VAL CA C 119 62.250 61.202 1.048 1
1 1006 . 3 1 1 A 92 92 VAL CB C 119 33.280 33.489 -0.209 1
1 1008 . 3 1 1 A 92 92 VAL N N 119 125.030 124.379 0.651 1
1 1009 . 3 1 1 A 93 93 ILE H H 120 8.220 8.633 -0.413 1
1 1010 . 3 1 1 A 93 93 ILE HA H 120 4.110 4.510 -0.400 1
1 1015 . 3 1 1 A 93 93 ILE C C 120 173.440 175.774 -2.334 1
1 1016 . 3 1 1 A 93 93 ILE CA C 120 61.050 60.217 0.833 1
1 1017 . 3 1 1 A 93 93 ILE CB C 120 39.030 40.442 -1.412 1
1 1021 . 3 1 1 A 93 93 ILE N N 120 125.690 127.606 -1.916 1
1 1022 . 3 1 1 A 94 94 GLY H H 121 8.190 8.785 -0.595 1
1 1023 . 3 1 1 A 94 94 GLY HA2 H 121 4.050 4.117 -0.067 1
1 1024 . 3 1 1 A 94 94 GLY HA3 H 121 3.940 4.128 -0.188 1
1 1025 . 3 1 1 A 94 94 GLY C C 121 169.080 173.496 -4.416 1
1 1026 . 3 1 1 A 94 94 GLY CA C 121 44.850 44.507 0.343 1
1 1027 . 3 1 1 A 94 94 GLY N N 121 113.150 118.451 -5.301 1
1 1028 . 3 1 1 A 95 95 PRO HA H 122 4.270 4.621 -0.351 1
1 1032 . 3 1 1 A 95 95 PRO CA C 122 63.340 63.036 0.304 1
1 1033 . 3 1 1 A 95 95 PRO CB C 122 32.160 32.051 0.109 1
1 1036 . 3 1 1 A 96 96 PHE H H 123 8.140 8.559 -0.419 1
1 1037 . 3 1 1 A 96 96 PHE HA H 123 4.510 4.902 -0.392 1
1 1040 . 3 1 1 A 96 96 PHE C C 123 172.700 175.493 -2.793 1
1 1041 . 3 1 1 A 96 96 PHE CA C 123 58.040 56.381 1.659 1
1 1042 . 3 1 1 A 96 96 PHE CB C 123 39.710 40.657 -0.947 1
1 1043 . 3 1 1 A 96 96 PHE N N 123 119.410 118.192 1.218 1
1 1044 . 3 1 1 A 97 97 PHE H H 124 8.000 8.474 -0.474 1
1 1045 . 3 1 1 A 97 97 PHE HA H 124 4.490 5.264 -0.774 1
1 1048 . 3 1 1 A 97 97 PHE C C 124 172.140 173.111 -0.971 1
1 1049 . 3 1 1 A 97 97 PHE CA C 124 58.000 56.031 1.969 1
1 1050 . 3 1 1 A 97 97 PHE CB C 124 40.140 41.533 -1.393 1
1 1051 . 3 1 1 A 97 97 PHE N N 124 122.180 116.241 5.939 1
1 1052 . 3 1 1 A 98 98 ASP H H 125 8.100 8.806 -0.706 1
1 1053 . 3 1 1 A 98 98 ASP HA H 125 4.400 4.976 -0.576 1
1 1056 . 3 1 1 A 98 98 ASP C C 125 173.870 174.781 -0.911 1
1 1057 . 3 1 1 A 98 98 ASP CA C 125 54.470 53.438 1.032 1
1 1058 . 3 1 1 A 98 98 ASP CB C 125 41.390 44.927 -3.537 1
1 1059 . 3 1 1 A 98 98 ASP N N 125 123.000 121.729 1.271 1
1 1060 . 3 1 1 A 99 99 GLY H H 126 8.010 8.936 -0.926 1
1 1061 . 3 1 1 A 99 99 GLY HA3 H 126 3.860 3.986 -0.126 1
1 1062 . 3 1 1 A 99 99 GLY C C 126 171.640 173.128 -1.488 1
1 1063 . 3 1 1 A 99 99 GLY CA C 126 45.860 45.974 -0.114 1
1 1064 . 3 1 1 A 99 99 GLY N N 126 109.280 112.126 -2.846 1
1 1065 . 3 1 1 A 100 100 SER H H 127 8.110 7.587 0.523 1
1 1066 . 3 1 1 A 100 100 SER HA H 127 4.320 4.992 -0.672 1
1 1069 . 3 1 1 A 100 100 SER C C 127 171.520 172.700 -1.180 1
1 1070 . 3 1 1 A 100 100 SER CA C 127 59.190 57.381 1.809 1
1 1071 . 3 1 1 A 100 100 SER CB C 127 64.240 67.155 -2.915 1
1 1072 . 3 1 1 A 100 100 SER N N 127 115.760 114.058 1.702 1
1 1073 . 3 1 1 A 101 101 ILE H H 128 7.960 9.012 -1.052 1
1 1074 . 3 1 1 A 101 101 ILE HA H 128 4.110 4.459 -0.349 1
1 1084 . 3 1 1 A 101 101 ILE C C 128 172.590 174.975 -2.385 1
1 1085 . 3 1 1 A 101 101 ILE CA C 128 61.800 60.406 1.394 1
1 1086 . 3 1 1 A 101 101 ILE CB C 128 38.820 38.415 0.405 1
1 1090 . 3 1 1 A 101 101 ILE N N 128 122.050 123.901 -1.851 1
1 1 . 4 1 1 A 2 2 PRO HA H 29 4.310 4.534 -0.224 1
1 8 . 4 1 1 A 2 2 PRO CA C 29 64.380 63.204 1.176 1
1 9 . 4 1 1 A 2 2 PRO CB C 29 32.300 31.632 0.668 1
1 12 . 4 1 1 A 3 3 GLU H H 30 9.010 8.786 0.224 1
1 13 . 4 1 1 A 3 3 GLU HA H 30 4.170 4.520 -0.350 1
1 18 . 4 1 1 A 3 3 GLU C C 30 173.730 176.381 -2.651 1
1 19 . 4 1 1 A 3 3 GLU CA C 30 57.560 55.992 1.568 1
1 20 . 4 1 1 A 3 3 GLU CB C 30 29.400 29.157 0.243 1
1 22 . 4 1 1 A 3 3 GLU N N 30 118.790 122.433 -3.643 1
1 23 . 4 1 1 A 4 4 ASP H H 31 7.940 7.997 -0.057 1
1 24 . 4 1 1 A 4 4 ASP HA H 31 4.560 4.608 -0.048 1
1 27 . 4 1 1 A 4 4 ASP C C 31 173.600 175.867 -2.267 1
1 28 . 4 1 1 A 4 4 ASP CA C 31 54.940 54.133 0.807 1
1 29 . 4 1 1 A 4 4 ASP CB C 31 41.650 39.839 1.811 1
1 30 . 4 1 1 A 4 4 ASP N N 31 119.920 119.741 0.179 1
1 31 . 4 1 1 A 5 5 THR H H 32 7.810 7.982 -0.172 1
1 32 . 4 1 1 A 5 5 THR HA H 32 4.160 4.537 -0.377 1
1 37 . 4 1 1 A 5 5 THR C C 32 171.630 173.872 -2.242 1
1 38 . 4 1 1 A 5 5 THR CA C 32 62.410 60.305 2.105 1
1 39 . 4 1 1 A 5 5 THR CB C 32 70.040 67.910 2.130 1
1 41 . 4 1 1 A 5 5 THR N N 32 113.570 115.885 -2.315 1
1 42 . 4 1 1 A 6 6 LEU H H 33 8.100 7.487 0.613 1
1 43 . 4 1 1 A 6 6 LEU HA H 33 4.490 4.517 -0.027 1
1 53 . 4 1 1 A 6 6 LEU C C 33 172.440 174.917 -2.477 1
1 54 . 4 1 1 A 6 6 LEU CA C 33 53.430 53.299 0.131 1
1 55 . 4 1 1 A 6 6 LEU CB C 33 41.900 41.361 0.539 1
1 59 . 4 1 1 A 6 6 LEU N N 33 125.790 124.176 1.614 1
1 60 . 4 1 1 A 7 7 PRO HA H 34 4.130 4.521 -0.391 1
1 67 . 4 1 1 A 7 7 PRO CA C 34 63.660 63.014 0.646 1
1 68 . 4 1 1 A 7 7 PRO CB C 34 31.970 31.940 0.030 1
1 71 . 4 1 1 A 8 8 PHE H H 35 7.610 8.357 -0.747 1
1 72 . 4 1 1 A 8 8 PHE HA H 35 4.580 4.807 -0.227 1
1 77 . 4 1 1 A 8 8 PHE C C 35 171.110 174.486 -3.376 1
1 78 . 4 1 1 A 8 8 PHE CA C 35 57.690 56.007 1.683 1
1 79 . 4 1 1 A 8 8 PHE CB C 35 40.850 38.575 2.275 1
1 80 . 4 1 1 A 8 8 PHE N N 35 117.670 117.244 0.426 1
1 81 . 4 1 1 A 9 9 LEU H H 36 8.310 7.762 0.548 1
1 82 . 4 1 1 A 9 9 LEU HA H 36 4.420 4.798 -0.378 1
1 92 . 4 1 1 A 9 9 LEU C C 36 171.050 174.013 -2.963 1
1 93 . 4 1 1 A 9 9 LEU CA C 36 54.770 54.463 0.307 1
1 94 . 4 1 1 A 9 9 LEU CB C 36 44.230 45.145 -0.915 1
1 98 . 4 1 1 A 9 9 LEU N N 36 125.150 121.994 3.156 1
1 99 . 4 1 1 A 10 10 LYS H H 37 8.130 9.334 -1.204 1
1 100 . 4 1 1 A 10 10 LYS HA H 37 5.110 5.207 -0.097 1
1 109 . 4 1 1 A 10 10 LYS C C 37 172.470 174.971 -2.501 1
1 110 . 4 1 1 A 10 10 LYS CA C 37 54.730 55.042 -0.312 1
1 111 . 4 1 1 A 10 10 LYS CB C 37 35.010 34.262 0.748 1
1 115 . 4 1 1 A 10 10 LYS N N 37 123.550 128.061 -4.511 1
1 116 . 4 1 1 A 11 11 CYS H H 38 9.240 8.831 0.409 1
1 117 . 4 1 1 A 11 11 CYS HA H 38 4.890 5.464 -0.574 1
1 120 . 4 1 1 A 11 11 CYS C C 38 171.750 171.898 -0.148 1
1 121 . 4 1 1 A 11 11 CYS CA C 38 51.950 54.818 -2.868 1
1 122 . 4 1 1 A 11 11 CYS CB C 38 41.360 45.247 -3.887 1
1 123 . 4 1 1 A 11 11 CYS N N 38 121.580 123.980 -2.400 1
1 124 . 4 1 1 A 12 12 TYR H H 39 8.830 8.926 -0.096 1
1 125 . 4 1 1 A 12 12 TYR HA H 39 4.780 4.744 0.036 1
1 132 . 4 1 1 A 12 12 TYR C C 39 172.260 174.688 -2.428 1
1 133 . 4 1 1 A 12 12 TYR CA C 39 58.500 58.706 -0.206 1
1 134 . 4 1 1 A 12 12 TYR CB C 39 40.900 39.442 1.458 1
1 135 . 4 1 1 A 12 12 TYR N N 39 122.390 125.753 -3.363 1
1 136 . 4 1 1 A 13 13 CYS H H 40 7.690 8.092 -0.402 1
1 137 . 4 1 1 A 13 13 CYS HA H 40 4.420 5.718 -1.298 1
1 140 . 4 1 1 A 13 13 CYS CA C 40 53.850 54.071 -0.221 1
1 141 . 4 1 1 A 13 13 CYS CB C 40 48.920 45.323 3.597 1
1 142 . 4 1 1 A 14 14 SER H H 41 7.850 8.693 -0.843 1
1 143 . 4 1 1 A 14 14 SER HA H 41 4.160 5.055 -0.895 1
1 146 . 4 1 1 A 14 14 SER CA C 41 58.450 55.901 2.549 1
1 147 . 4 1 1 A 14 14 SER CB C 41 63.840 66.177 -2.337 1
1 148 . 4 1 1 A 14 14 SER N N 41 117.020 115.409 1.611 1
1 149 . 4 1 1 A 16 16 HIS HA H 43 4.880 4.791 0.089 1
1 152 . 4 1 1 A 16 16 HIS CA C 43 54.770 54.377 0.393 1
1 153 . 4 1 1 A 16 16 HIS CB C 43 29.490 31.578 -2.088 1
1 154 . 4 1 1 A 17 17 CYS H H 44 8.560 8.389 0.171 1
1 155 . 4 1 1 A 18 18 PRO HA H 45 4.660 4.431 0.229 1
1 160 . 4 1 1 A 18 18 PRO CA C 45 62.500 62.680 -0.180 1
1 161 . 4 1 1 A 18 18 PRO CB C 45 33.140 32.741 0.399 1
1 164 . 4 1 1 A 19 19 ASP H H 46 8.800 8.593 0.207 1
1 165 . 4 1 1 A 19 19 ASP HA H 46 4.250 4.263 -0.013 1
1 168 . 4 1 1 A 19 19 ASP C C 46 173.430 176.500 -3.070 1
1 169 . 4 1 1 A 19 19 ASP CA C 46 57.190 56.920 0.270 1
1 170 . 4 1 1 A 19 19 ASP CB C 46 40.720 40.584 0.136 1
1 171 . 4 1 1 A 19 19 ASP N N 46 120.170 121.857 -1.687 1
1 172 . 4 1 1 A 20 20 ASP H H 47 8.050 8.232 -0.182 1
1 173 . 4 1 1 A 20 20 ASP HA H 47 4.510 4.627 -0.117 1
1 176 . 4 1 1 A 20 20 ASP C C 47 173.500 175.987 -2.487 1
1 177 . 4 1 1 A 20 20 ASP CA C 47 52.840 53.063 -0.223 1
1 178 . 4 1 1 A 20 20 ASP CB C 47 39.980 39.724 0.256 1
1 179 . 4 1 1 A 20 20 ASP N N 47 114.670 114.851 -0.181 1
1 180 . 4 1 1 A 21 21 ALA H H 48 7.350 7.262 0.088 1
1 181 . 4 1 1 A 21 21 ALA HA H 48 4.280 4.256 0.024 1
1 185 . 4 1 1 A 21 21 ALA C C 48 174.490 176.450 -1.960 1
1 186 . 4 1 1 A 21 21 ALA CA C 48 53.430 52.357 1.073 1
1 187 . 4 1 1 A 21 21 ALA CB C 48 20.870 20.031 0.839 1
1 188 . 4 1 1 A 21 21 ALA N N 48 122.660 122.581 0.079 1
1 189 . 4 1 1 A 22 22 ILE H H 49 7.960 8.152 -0.192 1
1 190 . 4 1 1 A 22 22 ILE HA H 49 4.240 4.564 -0.324 1
1 199 . 4 1 1 A 22 22 ILE C C 49 173.300 176.251 -2.951 1
1 200 . 4 1 1 A 22 22 ILE CA C 49 60.230 59.599 0.631 1
1 201 . 4 1 1 A 22 22 ILE CB C 49 40.280 40.303 -0.023 1
1 205 . 4 1 1 A 22 22 ILE N N 49 119.550 119.777 -0.227 1
1 206 . 4 1 1 A 23 23 ASN H H 50 9.280 9.090 0.190 1
1 207 . 4 1 1 A 23 23 ASN HA H 50 4.290 4.449 -0.159 1
1 212 . 4 1 1 A 23 23 ASN CA C 50 54.660 53.865 0.795 1
1 213 . 4 1 1 A 23 23 ASN CB C 50 37.620 36.166 1.454 1
1 214 . 4 1 1 A 23 23 ASN N N 50 125.470 125.189 0.281 1
1 216 . 4 1 1 A 24 24 ASN H H 51 8.850 8.467 0.383 1
1 217 . 4 1 1 A 24 24 ASN HA H 51 4.070 4.055 0.015 1
1 222 . 4 1 1 A 24 24 ASN C C 51 170.660 173.748 -3.088 1
1 223 . 4 1 1 A 24 24 ASN CA C 51 56.080 54.387 1.693 1
1 224 . 4 1 1 A 24 24 ASN CB C 51 37.430 36.776 0.654 1
1 226 . 4 1 1 A 25 25 THR H H 52 7.190 7.450 -0.260 1
1 227 . 4 1 1 A 25 25 THR HA H 52 5.370 5.166 0.204 1
1 232 . 4 1 1 A 25 25 THR C C 52 169.910 172.401 -2.491 1
1 233 . 4 1 1 A 25 25 THR CA C 52 59.890 59.744 0.146 1
1 234 . 4 1 1 A 25 25 THR CB C 52 73.940 72.463 1.477 1
1 236 . 4 1 1 A 25 25 THR N N 52 105.820 106.129 -0.309 1
1 237 . 4 1 1 A 26 26 CYS H H 53 8.960 8.836 0.124 1
1 238 . 4 1 1 A 26 26 CYS HA H 53 5.000 5.331 -0.331 1
1 241 . 4 1 1 A 26 26 CYS C C 53 168.780 171.475 -2.695 1
1 242 . 4 1 1 A 26 26 CYS CA C 53 52.560 53.659 -1.099 1
1 243 . 4 1 1 A 26 26 CYS CB C 53 48.650 46.443 2.207 1
1 244 . 4 1 1 A 26 26 CYS N N 53 116.070 119.133 -3.063 1
1 245 . 4 1 1 A 27 27 ILE H H 54 8.530 8.565 -0.035 1
1 246 . 4 1 1 A 27 27 ILE HA H 54 5.210 4.946 0.264 1
1 256 . 4 1 1 A 27 27 ILE C C 54 173.400 174.692 -1.292 1
1 257 . 4 1 1 A 27 27 ILE CA C 54 59.200 60.301 -1.101 1
1 258 . 4 1 1 A 27 27 ILE CB C 54 40.220 39.906 0.314 1
1 262 . 4 1 1 A 27 27 ILE N N 54 120.170 120.983 -0.813 1
1 263 . 4 1 1 A 28 28 THR H H 55 9.200 8.868 0.332 1
1 264 . 4 1 1 A 28 28 THR HA H 55 4.800 5.163 -0.363 1
1 269 . 4 1 1 A 28 28 THR C C 55 168.370 172.667 -4.297 1
1 270 . 4 1 1 A 28 28 THR CA C 55 60.060 59.760 0.300 1
1 271 . 4 1 1 A 28 28 THR CB C 55 70.490 71.347 -0.857 1
1 273 . 4 1 1 A 28 28 THR N N 55 120.750 120.716 0.034 1
1 274 . 4 1 1 A 29 29 ASN H H 56 8.000 8.465 -0.465 1
1 275 . 4 1 1 A 29 29 ASN HA H 56 4.920 4.816 0.104 1
1 280 . 4 1 1 A 29 29 ASN C C 56 172.880 175.181 -2.301 1
1 281 . 4 1 1 A 29 29 ASN CA C 56 52.620 51.507 1.113 1
1 282 . 4 1 1 A 29 29 ASN CB C 56 38.920 38.151 0.769 1
1 283 . 4 1 1 A 29 29 ASN N N 56 120.880 123.524 -2.644 1
1 285 . 4 1 1 A 30 30 GLY H H 57 8.510 7.584 0.926 1
1 286 . 4 1 1 A 30 30 GLY HA2 H 57 4.140 3.893 0.247 1
1 287 . 4 1 1 A 30 30 GLY HA3 H 57 3.960 4.043 -0.083 1
1 288 . 4 1 1 A 30 30 GLY C C 57 169.020 173.013 -3.993 1
1 289 . 4 1 1 A 30 30 GLY CA C 57 45.800 45.363 0.437 1
1 290 . 4 1 1 A 30 30 GLY N N 57 111.380 109.309 2.071 1
1 291 . 4 1 1 A 31 31 HIS H H 58 8.560 7.604 0.956 1
1 292 . 4 1 1 A 31 31 HIS HA H 58 4.710 5.286 -0.576 1
1 295 . 4 1 1 A 31 31 HIS C C 58 171.200 173.905 -2.705 1
1 296 . 4 1 1 A 31 31 HIS CA C 58 56.140 54.667 1.473 1
1 297 . 4 1 1 A 31 31 HIS CB C 58 34.650 34.007 0.643 1
1 298 . 4 1 1 A 31 31 HIS N N 58 120.870 115.073 5.797 1
1 299 . 4 1 1 A 32 32 CYS H H 59 8.710 8.388 0.322 1
1 300 . 4 1 1 A 32 32 CYS HA H 59 5.700 5.251 0.449 1
1 303 . 4 1 1 A 32 32 CYS C C 59 173.470 173.577 -0.107 1
1 304 . 4 1 1 A 32 32 CYS CA C 59 52.340 55.174 -2.834 1
1 305 . 4 1 1 A 32 32 CYS CB C 59 36.950 44.062 -7.112 1
1 306 . 4 1 1 A 32 32 CYS N N 59 117.290 119.580 -2.290 1
1 307 . 4 1 1 A 33 33 PHE H H 60 8.700 8.536 0.164 1
1 308 . 4 1 1 A 33 33 PHE HA H 60 6.110 5.720 0.390 1
1 316 . 4 1 1 A 33 33 PHE C C 60 172.200 172.885 -0.685 1
1 317 . 4 1 1 A 33 33 PHE CA C 60 56.630 55.459 1.171 1
1 318 . 4 1 1 A 33 33 PHE CB C 60 44.830 42.362 2.468 1
1 319 . 4 1 1 A 33 33 PHE N N 60 116.070 120.075 -4.005 1
1 320 . 4 1 1 A 34 34 ALA H H 61 9.200 8.476 0.724 1
1 321 . 4 1 1 A 34 34 ALA HA H 61 5.000 4.921 0.079 1
1 325 . 4 1 1 A 34 34 ALA C C 61 171.610 175.724 -4.114 1
1 326 . 4 1 1 A 34 34 ALA CA C 61 52.320 51.500 0.820 1
1 327 . 4 1 1 A 34 34 ALA CB C 61 23.950 23.247 0.703 1
1 328 . 4 1 1 A 34 34 ALA N N 61 125.170 121.215 3.955 1
1 329 . 4 1 1 A 35 35 ILE H H 62 9.470 8.608 0.862 1
1 330 . 4 1 1 A 35 35 ILE HA H 62 5.350 4.912 0.438 1
1 340 . 4 1 1 A 35 35 ILE C C 62 170.850 173.467 -2.617 1
1 341 . 4 1 1 A 35 35 ILE CA C 62 59.260 59.516 -0.256 1
1 342 . 4 1 1 A 35 35 ILE CB C 62 43.660 42.344 1.316 1
1 346 . 4 1 1 A 35 35 ILE N N 62 120.630 119.471 1.159 1
1 347 . 4 1 1 A 36 36 ILE H H 63 8.500 8.690 -0.190 1
1 348 . 4 1 1 A 36 36 ILE HA H 63 5.240 5.300 -0.060 1
1 358 . 4 1 1 A 36 36 ILE C C 63 170.510 173.035 -2.525 1
1 359 . 4 1 1 A 36 36 ILE CA C 63 59.130 59.150 -0.020 1
1 360 . 4 1 1 A 36 36 ILE CB C 63 41.670 42.350 -0.680 1
1 364 . 4 1 1 A 36 36 ILE N N 63 125.830 126.184 -0.354 1
1 365 . 4 1 1 A 37 37 GLU H H 64 8.450 8.749 -0.299 1
1 366 . 4 1 1 A 37 37 GLU HA H 64 5.010 4.893 0.117 1
1 371 . 4 1 1 A 37 37 GLU C C 64 171.410 174.431 -3.021 1
1 372 . 4 1 1 A 37 37 GLU CA C 64 54.830 55.054 -0.224 1
1 373 . 4 1 1 A 37 37 GLU CB C 64 34.320 34.275 0.045 1
1 375 . 4 1 1 A 37 37 GLU N N 64 124.570 127.011 -2.441 1
1 376 . 4 1 1 A 38 38 GLU H H 65 8.300 8.564 -0.264 1
1 377 . 4 1 1 A 38 38 GLU HA H 65 5.040 4.991 0.049 1
1 382 . 4 1 1 A 38 38 GLU C C 65 172.920 175.929 -3.009 1
1 383 . 4 1 1 A 38 38 GLU CA C 65 54.760 55.107 -0.347 1
1 384 . 4 1 1 A 38 38 GLU CB C 65 33.470 31.656 1.814 1
1 386 . 4 1 1 A 38 38 GLU N N 65 123.960 123.786 0.174 1
1 387 . 4 1 1 A 39 39 ASP H H 66 8.470 8.304 0.166 1
1 388 . 4 1 1 A 39 39 ASP HA H 66 4.750 4.886 -0.136 1
1 391 . 4 1 1 A 39 39 ASP C C 66 174.940 177.738 -2.798 1
1 392 . 4 1 1 A 39 39 ASP CA C 66 52.890 52.542 0.348 1
1 393 . 4 1 1 A 39 39 ASP CB C 66 41.990 41.419 0.571 1
1 394 . 4 1 1 A 39 39 ASP N N 66 124.870 126.770 -1.900 1
1 395 . 4 1 1 A 40 40 ASP H H 67 8.380 8.904 -0.524 1
1 396 . 4 1 1 A 40 40 ASP HA H 67 4.310 4.463 -0.153 1
1 399 . 4 1 1 A 40 40 ASP C C 67 174.210 176.940 -2.730 1
1 400 . 4 1 1 A 40 40 ASP CA C 67 56.350 56.088 0.262 1
1 401 . 4 1 1 A 40 40 ASP CB C 67 40.510 39.998 0.512 1
1 402 . 4 1 1 A 40 40 ASP N N 67 116.220 118.636 -2.416 1
1 403 . 4 1 1 A 41 41 GLN H H 68 8.200 7.747 0.453 1
1 404 . 4 1 1 A 41 41 GLN HA H 68 4.380 4.369 0.011 1
1 411 . 4 1 1 A 41 41 GLN C C 68 173.740 176.408 -2.668 1
1 412 . 4 1 1 A 41 41 GLN CA C 68 55.590 55.616 -0.026 1
1 413 . 4 1 1 A 41 41 GLN CB C 68 29.780 29.463 0.317 1
1 415 . 4 1 1 A 41 41 GLN N N 68 117.190 117.487 -0.297 1
1 417 . 4 1 1 A 42 42 GLY H H 69 8.000 8.154 -0.154 1
1 418 . 4 1 1 A 42 42 GLY HA2 H 69 3.630 3.918 -0.288 1
1 419 . 4 1 1 A 42 42 GLY HA3 H 69 4.140 3.918 0.222 1
1 420 . 4 1 1 A 42 42 GLY C C 69 171.650 174.313 -2.663 1
1 421 . 4 1 1 A 42 42 GLY CA C 69 45.730 45.674 0.056 1
1 422 . 4 1 1 A 42 42 GLY N N 69 108.130 108.478 -0.348 1
1 423 . 4 1 1 A 43 43 GLU H H 70 8.410 8.284 0.126 1
1 424 . 4 1 1 A 43 43 GLU HA H 70 4.450 4.555 -0.105 1
1 429 . 4 1 1 A 43 43 GLU C C 70 173.970 176.409 -2.439 1
1 430 . 4 1 1 A 43 43 GLU CA C 70 56.020 55.572 0.448 1
1 431 . 4 1 1 A 43 43 GLU CB C 70 30.300 31.078 -0.778 1
1 433 . 4 1 1 A 43 43 GLU N N 70 122.300 119.825 2.475 1
1 434 . 4 1 1 A 44 44 THR H H 71 8.620 8.517 0.103 1
1 435 . 4 1 1 A 44 44 THR HA H 71 5.210 5.176 0.034 1
1 440 . 4 1 1 A 44 44 THR C C 71 172.160 174.060 -1.900 1
1 441 . 4 1 1 A 44 44 THR CA C 71 61.600 60.813 0.787 1
1 442 . 4 1 1 A 44 44 THR CB C 71 71.000 70.047 0.953 1
1 444 . 4 1 1 A 44 44 THR N N 71 117.330 114.814 2.516 1
1 445 . 4 1 1 A 45 45 THR H H 72 8.760 8.594 0.166 1
1 446 . 4 1 1 A 45 45 THR HA H 72 4.500 5.061 -0.561 1
1 451 . 4 1 1 A 45 45 THR C C 72 169.600 173.670 -4.070 1
1 452 . 4 1 1 A 45 45 THR CA C 72 61.270 60.574 0.696 1
1 453 . 4 1 1 A 45 45 THR CB C 72 72.320 70.019 2.301 1
1 455 . 4 1 1 A 45 45 THR N N 72 117.840 118.024 -0.184 1
1 456 . 4 1 1 A 46 46 LEU H H 73 8.400 9.186 -0.786 1
1 457 . 4 1 1 A 46 46 LEU HA H 73 5.250 5.089 0.161 1
1 464 . 4 1 1 A 46 46 LEU C C 73 173.150 175.632 -2.482 1
1 465 . 4 1 1 A 46 46 LEU CA C 73 54.300 53.805 0.495 1
1 466 . 4 1 1 A 46 46 LEU CB C 73 44.860 43.528 1.332 1
1 470 . 4 1 1 A 46 46 LEU N N 73 126.020 127.659 -1.639 1
1 471 . 4 1 1 A 47 47 ALA HA H 74 4.760 5.420 -0.660 1
1 475 . 4 1 1 A 47 47 ALA C C 74 172.740 175.407 -2.667 1
1 476 . 4 1 1 A 47 47 ALA CA C 74 51.440 50.950 0.490 1
1 477 . 4 1 1 A 47 47 ALA CB C 74 23.350 23.619 -0.269 1
1 478 . 4 1 1 A 48 48 SER H H 75 8.700 8.292 0.408 1
1 479 . 4 1 1 A 48 48 SER HA H 75 4.500 4.634 -0.134 1
1 482 . 4 1 1 A 48 48 SER C C 75 171.590 172.921 -1.331 1
1 483 . 4 1 1 A 48 48 SER CA C 75 57.740 56.397 1.343 1
1 484 . 4 1 1 A 48 48 SER CB C 75 65.700 65.907 -0.207 1
1 485 . 4 1 1 A 48 48 SER N N 75 111.400 113.970 -2.570 1
1 486 . 4 1 1 A 49 49 GLY H H 76 6.440 7.219 -0.779 1
1 487 . 4 1 1 A 49 49 GLY HA2 H 76 3.850 3.884 -0.034 1
1 488 . 4 1 1 A 49 49 GLY HA3 H 76 3.730 3.894 -0.164 1
1 489 . 4 1 1 A 49 49 GLY C C 76 167.890 171.235 -3.345 1
1 490 . 4 1 1 A 49 49 GLY CA C 76 47.420 45.908 1.512 1
1 491 . 4 1 1 A 49 49 GLY N N 76 105.480 105.546 -0.066 1
1 492 . 4 1 1 A 50 50 CYS H H 77 8.740 8.341 0.399 1
1 493 . 4 1 1 A 50 50 CYS HA H 77 4.950 5.361 -0.411 1
1 496 . 4 1 1 A 50 50 CYS C C 77 170.670 172.781 -2.111 1
1 497 . 4 1 1 A 50 50 CYS CA C 77 60.030 55.304 4.726 1
1 498 . 4 1 1 A 50 50 CYS CB C 77 46.100 43.442 2.658 1
1 499 . 4 1 1 A 50 50 CYS N N 77 118.960 119.980 -1.020 1
1 500 . 4 1 1 A 51 51 MET H H 78 9.240 9.002 0.238 1
1 501 . 4 1 1 A 51 51 MET HA H 78 4.760 4.958 -0.198 1
1 509 . 4 1 1 A 51 51 MET C C 78 171.990 175.972 -3.982 1
1 510 . 4 1 1 A 51 51 MET CA C 78 54.630 54.142 0.488 1
1 511 . 4 1 1 A 51 51 MET CB C 78 35.810 35.047 0.763 1
1 514 . 4 1 1 A 51 51 MET N N 78 122.340 125.937 -3.597 1
1 515 . 4 1 1 A 52 52 LYS H H 79 8.430 8.366 0.064 1
1 516 . 4 1 1 A 52 52 LYS HA H 79 4.160 4.235 -0.075 1
1 525 . 4 1 1 A 52 52 LYS C C 79 173.040 175.749 -2.709 1
1 526 . 4 1 1 A 52 52 LYS CA C 79 57.120 56.066 1.054 1
1 527 . 4 1 1 A 52 52 LYS CB C 79 33.720 32.561 1.159 1
1 531 . 4 1 1 A 52 52 LYS N N 79 125.030 123.872 1.158 1
1 532 . 4 1 1 A 53 53 TYR H H 80 8.400 8.650 -0.250 1
1 533 . 4 1 1 A 53 53 TYR HA H 80 4.200 4.641 -0.441 1
1 536 . 4 1 1 A 53 53 TYR C C 80 173.370 175.604 -2.234 1
1 537 . 4 1 1 A 53 53 TYR CA C 80 59.910 57.781 2.129 1
1 538 . 4 1 1 A 53 53 TYR CB C 80 39.000 38.950 0.050 1
1 539 . 4 1 1 A 53 53 TYR N N 80 121.420 120.447 0.973 1
1 540 . 4 1 1 A 54 54 GLU H H 81 8.490 9.135 -0.645 1
1 541 . 4 1 1 A 54 54 GLU HA H 81 4.170 4.575 -0.405 1
1 545 . 4 1 1 A 54 54 GLU C C 81 173.240 177.192 -3.952 1
1 546 . 4 1 1 A 54 54 GLU CA C 81 56.440 56.313 0.127 1
1 547 . 4 1 1 A 54 54 GLU CB C 81 30.860 31.270 -0.410 1
1 549 . 4 1 1 A 54 54 GLU N N 81 123.790 121.855 1.935 1
1 550 . 4 1 1 A 55 55 GLY H H 82 7.200 8.287 -1.087 1
1 551 . 4 1 1 A 55 55 GLY HA2 H 82 4.050 4.048 0.002 1
1 552 . 4 1 1 A 55 55 GLY HA3 H 82 3.690 4.066 -0.376 1
1 553 . 4 1 1 A 55 55 GLY C C 82 171.520 174.551 -3.031 1
1 554 . 4 1 1 A 55 55 GLY CA C 82 45.680 45.126 0.554 1
1 555 . 4 1 1 A 55 55 GLY N N 82 108.400 109.290 -0.890 1
1 556 . 4 1 1 A 56 56 SER H H 83 8.140 7.820 0.320 1
1 557 . 4 1 1 A 56 56 SER HA H 83 4.280 4.298 -0.018 1
1 560 . 4 1 1 A 56 56 SER C C 83 171.900 173.635 -1.735 1
1 561 . 4 1 1 A 56 56 SER CA C 83 59.270 59.312 -0.042 1
1 562 . 4 1 1 A 56 56 SER CB C 83 63.960 63.031 0.929 1
1 563 . 4 1 1 A 56 56 SER N N 83 114.650 116.893 -2.243 1
1 564 . 4 1 1 A 57 57 ASP H H 84 8.340 8.976 -0.636 1
1 565 . 4 1 1 A 57 57 ASP HA H 84 4.430 4.419 0.011 1
1 568 . 4 1 1 A 57 57 ASP C C 84 173.100 177.829 -4.729 1
1 569 . 4 1 1 A 57 57 ASP CA C 84 54.950 56.836 -1.886 1
1 570 . 4 1 1 A 57 57 ASP CB C 84 40.840 41.078 -0.238 1
1 571 . 4 1 1 A 57 57 ASP N N 84 121.230 127.277 -6.047 1
1 572 . 4 1 1 A 58 58 PHE H H 85 7.730 7.974 -0.244 1
1 573 . 4 1 1 A 58 58 PHE HA H 85 4.260 4.464 -0.204 1
1 581 . 4 1 1 A 58 58 PHE C C 85 172.590 176.152 -3.562 1
1 582 . 4 1 1 A 58 58 PHE CA C 85 58.520 58.191 0.329 1
1 583 . 4 1 1 A 58 58 PHE CB C 85 39.840 38.230 1.610 1
1 584 . 4 1 1 A 58 58 PHE N N 85 118.920 115.322 3.598 1
1 585 . 4 1 1 A 59 59 GLN H H 86 7.790 7.444 0.346 1
1 586 . 4 1 1 A 59 59 GLN HA H 86 4.070 4.208 -0.138 1
1 593 . 4 1 1 A 59 59 GLN C C 86 172.550 174.782 -2.232 1
1 594 . 4 1 1 A 59 59 GLN CA C 86 56.000 55.263 0.737 1
1 595 . 4 1 1 A 59 59 GLN CB C 86 30.600 26.480 4.120 1
1 597 . 4 1 1 A 59 59 GLN N N 86 120.280 117.884 2.396 1
1 599 . 4 1 1 A 60 60 CYS H H 87 8.100 8.432 -0.332 1
1 600 . 4 1 1 A 60 60 CYS HA H 87 4.140 4.827 -0.687 1
1 603 . 4 1 1 A 60 60 CYS C C 87 170.910 171.977 -1.067 1
1 604 . 4 1 1 A 60 60 CYS CA C 87 56.810 55.521 1.289 1
1 605 . 4 1 1 A 60 60 CYS CB C 87 40.780 42.631 -1.851 1
1 606 . 4 1 1 A 60 60 CYS N N 87 118.790 121.593 -2.803 1
1 607 . 4 1 1 A 61 61 LYS H H 88 7.610 8.072 -0.462 1
1 608 . 4 1 1 A 61 61 LYS HA H 88 4.280 4.799 -0.519 1
1 617 . 4 1 1 A 61 61 LYS C C 88 172.330 173.671 -1.341 1
1 618 . 4 1 1 A 61 61 LYS CA C 88 56.210 55.487 0.723 1
1 619 . 4 1 1 A 61 61 LYS CB C 88 34.210 36.686 -2.476 1
1 623 . 4 1 1 A 61 61 LYS N N 88 120.330 125.935 -5.605 1
1 624 . 4 1 1 A 62 62 ASP H H 89 8.180 8.757 -0.577 1
1 625 . 4 1 1 A 62 62 ASP HA H 89 4.500 5.255 -0.755 1
1 628 . 4 1 1 A 62 62 ASP C C 89 172.970 175.738 -2.768 1
1 629 . 4 1 1 A 62 62 ASP CA C 89 54.200 53.358 0.842 1
1 630 . 4 1 1 A 62 62 ASP CB C 89 42.090 42.258 -0.168 1
1 631 . 4 1 1 A 62 62 ASP N N 89 121.190 124.204 -3.014 1
1 632 . 4 1 1 A 63 63 SER H H 90 8.190 8.877 -0.687 1
1 633 . 4 1 1 A 63 63 SER HA H 90 4.640 4.736 -0.096 1
1 636 . 4 1 1 A 63 63 SER C C 90 170.240 173.793 -3.553 1
1 637 . 4 1 1 A 63 63 SER CA C 90 56.600 57.538 -0.938 1
1 638 . 4 1 1 A 63 63 SER CB C 90 63.770 62.799 0.971 1
1 639 . 4 1 1 A 63 63 SER N N 90 116.710 119.924 -3.214 1
1 640 . 4 1 1 A 64 64 PRO HA H 91 4.350 4.654 -0.304 1
1 647 . 4 1 1 A 64 64 PRO CA C 91 63.800 62.492 1.308 1
1 648 . 4 1 1 A 64 64 PRO CB C 91 32.410 29.195 3.215 1
1 651 . 4 1 1 A 65 65 LYS H H 92 8.240 8.071 0.169 1
1 652 . 4 1 1 A 65 65 LYS HA H 92 4.210 4.567 -0.357 1
1 661 . 4 1 1 A 65 65 LYS C C 92 173.330 174.377 -1.047 1
1 662 . 4 1 1 A 65 65 LYS CA C 92 56.410 55.450 0.960 1
1 663 . 4 1 1 A 65 65 LYS CB C 92 33.230 33.024 0.206 1
1 667 . 4 1 1 A 65 65 LYS N N 92 120.180 122.190 -2.010 1
1 668 . 4 1 1 A 66 66 ALA H H 93 8.040 7.554 0.486 1
1 669 . 4 1 1 A 66 66 ALA HA H 93 4.210 4.821 -0.611 1
1 673 . 4 1 1 A 66 66 ALA C C 93 174.580 175.132 -0.552 1
1 674 . 4 1 1 A 66 66 ALA CA C 93 53.020 51.334 1.686 1
1 675 . 4 1 1 A 66 66 ALA CB C 93 19.760 23.074 -3.314 1
1 676 . 4 1 1 A 66 66 ALA N N 93 124.050 122.912 1.138 1
1 677 . 4 1 1 A 67 67 GLN H H 94 8.320 8.786 -0.466 1
1 678 . 4 1 1 A 67 67 GLN HA H 94 4.190 4.613 -0.423 1
1 685 . 4 1 1 A 67 67 GLN C C 94 172.780 174.498 -1.718 1
1 686 . 4 1 1 A 67 67 GLN CA C 94 56.750 54.797 1.953 1
1 687 . 4 1 1 A 67 67 GLN CB C 94 29.100 27.718 1.382 1
1 689 . 4 1 1 A 67 67 GLN N N 94 117.930 121.986 -4.056 1
1 691 . 4 1 1 A 68 68 LEU H H 95 7.730 7.977 -0.247 1
1 692 . 4 1 1 A 68 68 LEU HA H 95 4.360 4.920 -0.560 1
1 702 . 4 1 1 A 68 68 LEU C C 95 174.270 174.154 0.116 1
1 703 . 4 1 1 A 68 68 LEU CA C 95 54.970 54.141 0.829 1
1 704 . 4 1 1 A 68 68 LEU CB C 95 43.120 45.851 -2.731 1
1 708 . 4 1 1 A 68 68 LEU N N 95 120.470 124.842 -4.372 1
1 709 . 4 1 1 A 69 69 ARG H H 96 8.600 8.402 0.198 1
1 710 . 4 1 1 A 69 69 ARG HA H 96 4.230 4.916 -0.686 1
1 718 . 4 1 1 A 69 69 ARG C C 96 171.700 175.495 -3.795 1
1 719 . 4 1 1 A 69 69 ARG CA C 96 56.570 55.202 1.368 1
1 720 . 4 1 1 A 69 69 ARG CB C 96 30.660 31.502 -0.842 1
1 723 . 4 1 1 A 69 69 ARG N N 96 121.670 125.174 -3.504 1
1 725 . 4 1 1 A 70 70 ARG H H 97 7.800 8.781 -0.981 1
1 726 . 4 1 1 A 70 70 ARG HA H 97 5.170 5.187 -0.017 1
1 734 . 4 1 1 A 70 70 ARG C C 97 172.120 173.370 -1.250 1
1 735 . 4 1 1 A 70 70 ARG CA C 97 55.260 54.696 0.564 1
1 736 . 4 1 1 A 70 70 ARG CB C 97 34.040 34.279 -0.239 1
1 739 . 4 1 1 A 70 70 ARG N N 97 120.130 121.428 -1.298 1
1 741 . 4 1 1 A 71 71 THR H H 98 8.610 8.226 0.384 1
1 742 . 4 1 1 A 71 71 THR HA H 98 4.600 5.250 -0.650 1
1 747 . 4 1 1 A 71 71 THR C C 98 169.250 173.578 -4.328 1
1 748 . 4 1 1 A 71 71 THR CA C 98 62.030 61.432 0.598 1
1 749 . 4 1 1 A 71 71 THR CB C 98 71.970 72.113 -0.143 1
1 751 . 4 1 1 A 71 71 THR N N 98 118.550 113.593 4.957 1
1 752 . 4 1 1 A 72 72 ILE H H 99 8.520 8.706 -0.186 1
1 753 . 4 1 1 A 72 72 ILE HA H 99 5.080 5.072 0.008 1
1 763 . 4 1 1 A 72 72 ILE C C 99 170.930 172.941 -2.011 1
1 764 . 4 1 1 A 72 72 ILE CA C 99 59.370 59.578 -0.208 1
1 765 . 4 1 1 A 72 72 ILE CB C 99 42.140 42.407 -0.267 1
1 769 . 4 1 1 A 72 72 ILE N N 99 125.230 122.919 2.311 1
1 770 . 4 1 1 A 73 73 GLU H H 100 8.860 8.669 0.191 1
1 771 . 4 1 1 A 73 73 GLU HA H 100 4.670 5.085 -0.415 1
1 776 . 4 1 1 A 73 73 GLU C C 100 172.200 174.876 -2.676 1
1 777 . 4 1 1 A 73 73 GLU CA C 100 55.840 55.019 0.821 1
1 778 . 4 1 1 A 73 73 GLU CB C 100 34.410 34.218 0.192 1
1 780 . 4 1 1 A 73 73 GLU N N 100 125.680 126.241 -0.561 1
1 781 . 4 1 1 A 74 74 CYS H H 101 8.830 9.056 -0.226 1
1 782 . 4 1 1 A 74 74 CYS HA H 101 5.790 5.569 0.221 1
1 785 . 4 1 1 A 74 74 CYS C C 101 170.360 172.280 -1.920 1
1 786 . 4 1 1 A 74 74 CYS CA C 101 55.010 54.184 0.826 1
1 787 . 4 1 1 A 74 74 CYS CB C 101 45.320 46.457 -1.137 1
1 788 . 4 1 1 A 74 74 CYS N N 101 119.260 117.156 2.104 1
1 789 . 4 1 1 A 75 75 CYS H H 102 9.130 8.543 0.587 1
1 790 . 4 1 1 A 75 75 CYS HA H 102 5.000 5.248 -0.248 1
1 793 . 4 1 1 A 75 75 CYS C C 102 170.670 171.822 -1.152 1
1 794 . 4 1 1 A 75 75 CYS CA C 102 56.180 55.392 0.788 1
1 795 . 4 1 1 A 75 75 CYS CB C 102 46.090 46.338 -0.248 1
1 796 . 4 1 1 A 75 75 CYS N N 102 116.460 118.430 -1.970 1
1 797 . 4 1 1 A 76 76 ARG H H 103 9.240 9.044 0.196 1
1 798 . 4 1 1 A 76 76 ARG HA H 103 4.800 4.669 0.131 1
1 806 . 4 1 1 A 76 76 ARG C C 103 172.120 174.667 -2.547 1
1 807 . 4 1 1 A 76 76 ARG CA C 103 56.230 55.031 1.199 1
1 808 . 4 1 1 A 76 76 ARG CB C 103 32.610 29.894 2.716 1
1 811 . 4 1 1 A 76 76 ARG N N 103 122.520 125.042 -2.522 1
1 813 . 4 1 1 A 77 77 THR H H 104 7.440 7.753 -0.313 1
1 814 . 4 1 1 A 77 77 THR HA H 104 4.600 5.159 -0.559 1
1 819 . 4 1 1 A 77 77 THR C C 104 171.890 173.393 -1.503 1
1 820 . 4 1 1 A 77 77 THR CA C 104 61.270 59.531 1.739 1
1 821 . 4 1 1 A 77 77 THR CB C 104 72.490 72.152 0.338 1
1 823 . 4 1 1 A 77 77 THR N N 104 109.730 112.242 -2.512 1
1 824 . 4 1 1 A 78 78 ASN H H 105 8.590 8.662 -0.072 1
1 825 . 4 1 1 A 78 78 ASN HA H 105 4.790 4.670 0.120 1
1 830 . 4 1 1 A 78 78 ASN C C 105 174.150 175.283 -1.133 1
1 831 . 4 1 1 A 78 78 ASN CA C 105 55.870 54.069 1.801 1
1 832 . 4 1 1 A 78 78 ASN CB C 105 39.260 38.239 1.021 1
1 833 . 4 1 1 A 78 78 ASN N N 105 119.360 119.600 -0.240 1
1 835 . 4 1 1 A 79 79 LEU H H 106 9.980 8.810 1.170 1
1 836 . 4 1 1 A 79 79 LEU HA H 106 3.680 3.945 -0.265 1
1 846 . 4 1 1 A 79 79 LEU C C 106 175.050 177.526 -2.476 1
1 847 . 4 1 1 A 79 79 LEU CA C 106 56.790 56.035 0.755 1
1 848 . 4 1 1 A 79 79 LEU CB C 106 38.920 39.340 -0.420 1
1 852 . 4 1 1 A 79 79 LEU N N 106 118.230 117.734 0.496 1
1 853 . 4 1 1 A 80 80 CYS H H 107 8.250 8.000 0.250 1
1 854 . 4 1 1 A 80 80 CYS HA H 107 4.320 4.320 0.000 1
1 857 . 4 1 1 A 80 80 CYS C C 107 172.470 175.987 -3.517 1
1 858 . 4 1 1 A 80 80 CYS CA C 107 58.370 58.865 -0.495 1
1 859 . 4 1 1 A 80 80 CYS CB C 107 46.090 42.132 3.958 1
1 860 . 4 1 1 A 80 80 CYS N N 107 115.460 116.643 -1.183 1
1 861 . 4 1 1 A 81 81 ASN H H 108 8.590 8.117 0.473 1
1 862 . 4 1 1 A 81 81 ASN HA H 108 4.430 4.540 -0.110 1
1 867 . 4 1 1 A 81 81 ASN C C 108 172.210 177.808 -5.598 1
1 868 . 4 1 1 A 81 81 ASN CA C 108 53.320 55.688 -2.368 1
1 869 . 4 1 1 A 81 81 ASN CB C 108 37.290 37.942 -0.652 1
1 870 . 4 1 1 A 81 81 ASN N N 108 118.040 120.393 -2.353 1
1 872 . 4 1 1 A 82 82 GLN H H 109 7.490 7.805 -0.315 1
1 873 . 4 1 1 A 82 82 GLN HA H 109 3.380 3.572 -0.192 1
1 880 . 4 1 1 A 82 82 GLN C C 109 172.300 176.876 -4.576 1
1 881 . 4 1 1 A 82 82 GLN CA C 109 58.940 58.203 0.737 1
1 882 . 4 1 1 A 82 82 GLN CB C 109 28.770 27.790 0.980 1
1 884 . 4 1 1 A 82 82 GLN N N 109 121.350 120.247 1.103 1
1 886 . 4 1 1 A 83 83 TYR H H 110 7.830 7.694 0.136 1
1 887 . 4 1 1 A 83 83 TYR HA H 110 4.590 4.673 -0.083 1
1 892 . 4 1 1 A 83 83 TYR CA C 110 56.490 57.242 -0.752 1
1 893 . 4 1 1 A 83 83 TYR CB C 110 38.400 38.123 0.277 1
1 894 . 4 1 1 A 83 83 TYR N N 110 114.600 116.453 -1.853 1
1 895 . 4 1 1 A 84 84 LEU H H 111 6.610 7.335 -0.725 1
1 896 . 4 1 1 A 84 84 LEU HA H 111 4.170 4.989 -0.819 1
1 905 . 4 1 1 A 84 84 LEU C C 111 172.880 174.535 -1.655 1
1 906 . 4 1 1 A 84 84 LEU CA C 111 55.250 53.569 1.681 1
1 907 . 4 1 1 A 84 84 LEU CB C 111 43.400 44.730 -1.330 1
1 911 . 4 1 1 A 84 84 LEU N N 111 120.140 122.068 -1.928 1
1 912 . 4 1 1 A 85 85 GLN H H 112 8.780 8.939 -0.159 1
1 913 . 4 1 1 A 85 85 GLN HA H 112 4.570 4.905 -0.335 1
1 920 . 4 1 1 A 85 85 GLN C C 112 169.480 174.484 -5.004 1
1 921 . 4 1 1 A 85 85 GLN CA C 112 53.110 52.459 0.651 1
1 922 . 4 1 1 A 85 85 GLN CB C 112 30.000 30.387 -0.387 1
1 924 . 4 1 1 A 85 85 GLN N N 112 122.790 127.604 -4.814 1
1 926 . 4 1 1 A 86 86 PRO HA H 113 4.400 4.802 -0.402 1
1 931 . 4 1 1 A 86 86 PRO CA C 113 63.040 62.846 0.194 1
1 932 . 4 1 1 A 86 86 PRO CB C 113 32.400 32.427 -0.027 1
1 935 . 4 1 1 A 87 87 THR H H 114 8.180 8.569 -0.389 1
1 936 . 4 1 1 A 87 87 THR HA H 114 4.400 5.019 -0.619 1
1 941 . 4 1 1 A 87 87 THR C C 114 172.180 173.432 -1.252 1
1 942 . 4 1 1 A 87 87 THR CA C 114 60.960 59.737 1.223 1
1 943 . 4 1 1 A 87 87 THR CB C 114 71.290 72.114 -0.824 1
1 945 . 4 1 1 A 87 87 THR N N 114 111.930 112.646 -0.716 1
1 946 . 4 1 1 A 88 88 LEU H H 115 8.580 8.595 -0.015 1
1 947 . 4 1 1 A 88 88 LEU HA H 115 4.300 4.764 -0.464 1
1 956 . 4 1 1 A 88 88 LEU C C 115 171.740 174.732 -2.992 1
1 957 . 4 1 1 A 88 88 LEU CA C 115 53.230 53.705 -0.475 1
1 958 . 4 1 1 A 88 88 LEU CB C 115 41.900 41.048 0.852 1
1 962 . 4 1 1 A 88 88 LEU N N 115 125.290 124.575 0.715 1
1 963 . 4 1 1 A 89 89 PRO HA H 116 4.630 4.645 -0.015 1
1 970 . 4 1 1 A 89 89 PRO CA C 116 61.580 61.601 -0.021 1
1 971 . 4 1 1 A 89 89 PRO CB C 116 30.980 31.624 -0.644 1
1 974 . 4 1 1 A 90 90 PRO HA H 117 4.350 4.497 -0.147 1
1 977 . 4 1 1 A 90 90 PRO CA C 117 63.010 62.481 0.529 1
1 978 . 4 1 1 A 90 90 PRO CB C 117 32.300 31.971 0.329 1
1 981 . 4 1 1 A 91 91 VAL H H 118 8.190 8.421 -0.231 1
1 982 . 4 1 1 A 91 91 VAL HA H 118 3.900 4.379 -0.479 1
1 990 . 4 1 1 A 91 91 VAL C C 118 173.270 176.389 -3.119 1
1 991 . 4 1 1 A 91 91 VAL CA C 118 62.890 62.597 0.293 1
1 992 . 4 1 1 A 91 91 VAL CB C 118 32.980 32.100 0.880 1
1 994 . 4 1 1 A 91 91 VAL N N 118 120.460 122.102 -1.642 1
1 995 . 4 1 1 A 92 92 VAL H H 119 8.180 8.311 -0.131 1
1 996 . 4 1 1 A 92 92 VAL HA H 119 4.040 4.354 -0.314 1
1 1004 . 4 1 1 A 92 92 VAL C C 119 172.960 175.244 -2.284 1
1 1005 . 4 1 1 A 92 92 VAL CA C 119 62.250 62.362 -0.112 1
1 1006 . 4 1 1 A 92 92 VAL CB C 119 33.280 31.831 1.449 1
1 1008 . 4 1 1 A 92 92 VAL N N 119 125.030 123.843 1.187 1
1 1009 . 4 1 1 A 93 93 ILE H H 120 8.220 8.425 -0.205 1
1 1010 . 4 1 1 A 93 93 ILE HA H 120 4.110 4.492 -0.382 1
1 1015 . 4 1 1 A 93 93 ILE C C 120 173.440 175.842 -2.402 1
1 1016 . 4 1 1 A 93 93 ILE CA C 120 61.050 60.113 0.937 1
1 1017 . 4 1 1 A 93 93 ILE CB C 120 39.030 41.020 -1.990 1
1 1021 . 4 1 1 A 93 93 ILE N N 120 125.690 126.503 -0.813 1
1 1022 . 4 1 1 A 94 94 GLY H H 121 8.190 8.922 -0.732 1
1 1023 . 4 1 1 A 94 94 GLY HA2 H 121 4.050 3.931 0.119 1
1 1024 . 4 1 1 A 94 94 GLY HA3 H 121 3.940 3.934 0.006 1
1 1025 . 4 1 1 A 94 94 GLY C C 121 169.080 175.438 -6.358 1
1 1026 . 4 1 1 A 94 94 GLY CA C 121 44.850 47.630 -2.780 1
1 1027 . 4 1 1 A 94 94 GLY N N 121 113.150 117.025 -3.875 1
1 1028 . 4 1 1 A 95 95 PRO HA H 122 4.270 4.709 -0.439 1
1 1032 . 4 1 1 A 95 95 PRO CA C 122 63.340 63.073 0.267 1
1 1033 . 4 1 1 A 95 95 PRO CB C 122 32.160 33.167 -1.007 1
1 1036 . 4 1 1 A 96 96 PHE H H 123 8.140 8.387 -0.247 1
1 1037 . 4 1 1 A 96 96 PHE HA H 123 4.510 5.279 -0.769 1
1 1040 . 4 1 1 A 96 96 PHE C C 123 172.700 173.030 -0.330 1
1 1041 . 4 1 1 A 96 96 PHE CA C 123 58.040 56.030 2.010 1
1 1042 . 4 1 1 A 96 96 PHE CB C 123 39.710 42.004 -2.294 1
1 1043 . 4 1 1 A 96 96 PHE N N 123 119.410 117.678 1.732 1
1 1044 . 4 1 1 A 97 97 PHE H H 124 8.000 8.896 -0.896 1
1 1045 . 4 1 1 A 97 97 PHE HA H 124 4.490 5.162 -0.672 1
1 1048 . 4 1 1 A 97 97 PHE C C 124 172.140 174.007 -1.867 1
1 1049 . 4 1 1 A 97 97 PHE CA C 124 58.000 56.340 1.660 1
1 1050 . 4 1 1 A 97 97 PHE CB C 124 40.140 40.965 -0.825 1
1 1051 . 4 1 1 A 97 97 PHE N N 124 122.180 117.413 4.767 1
1 1052 . 4 1 1 A 98 98 ASP H H 125 8.100 8.868 -0.768 1
1 1053 . 4 1 1 A 98 98 ASP HA H 125 4.400 4.936 -0.536 1
1 1056 . 4 1 1 A 98 98 ASP C C 125 173.870 176.068 -2.198 1
1 1057 . 4 1 1 A 98 98 ASP CA C 125 54.470 55.711 -1.241 1
1 1058 . 4 1 1 A 98 98 ASP CB C 125 41.390 43.144 -1.754 1
1 1059 . 4 1 1 A 98 98 ASP N N 125 123.000 123.683 -0.683 1
1 1060 . 4 1 1 A 99 99 GLY H H 126 8.010 7.970 0.040 1
1 1061 . 4 1 1 A 99 99 GLY HA3 H 126 3.860 4.105 -0.245 1
1 1062 . 4 1 1 A 99 99 GLY C C 126 171.640 172.812 -1.172 1
1 1063 . 4 1 1 A 99 99 GLY CA C 126 45.860 44.726 1.134 1
1 1064 . 4 1 1 A 99 99 GLY N N 126 109.280 109.069 0.211 1
1 1065 . 4 1 1 A 100 100 SER H H 127 8.110 8.636 -0.526 1
1 1066 . 4 1 1 A 100 100 SER HA H 127 4.320 5.297 -0.977 1
1 1069 . 4 1 1 A 100 100 SER C C 127 171.520 172.756 -1.236 1
1 1070 . 4 1 1 A 100 100 SER CA C 127 59.190 57.503 1.687 1
1 1071 . 4 1 1 A 100 100 SER CB C 127 64.240 66.137 -1.897 1
1 1072 . 4 1 1 A 100 100 SER N N 127 115.760 112.959 2.801 1
1 1073 . 4 1 1 A 101 101 ILE H H 128 7.960 8.900 -0.940 1
1 1074 . 4 1 1 A 101 101 ILE HA H 128 4.110 4.550 -0.440 1
1 1084 . 4 1 1 A 101 101 ILE C C 128 172.590 174.999 -2.409 1
1 1085 . 4 1 1 A 101 101 ILE CA C 128 61.800 60.405 1.395 1
1 1086 . 4 1 1 A 101 101 ILE CB C 128 38.820 38.375 0.445 1
1 1090 . 4 1 1 A 101 101 ILE N N 128 122.050 121.514 0.536 1
1 1 . 5 1 1 A 2 2 PRO HA H 29 4.310 4.437 -0.127 1
1 8 . 5 1 1 A 2 2 PRO CA C 29 64.380 63.212 1.168 1
1 9 . 5 1 1 A 2 2 PRO CB C 29 32.300 31.769 0.531 1
1 12 . 5 1 1 A 3 3 GLU H H 30 9.010 8.766 0.244 1
1 13 . 5 1 1 A 3 3 GLU HA H 30 4.170 4.534 -0.364 1
1 18 . 5 1 1 A 3 3 GLU C C 30 173.730 175.596 -1.866 1
1 19 . 5 1 1 A 3 3 GLU CA C 30 57.560 55.997 1.563 1
1 20 . 5 1 1 A 3 3 GLU CB C 30 29.400 29.148 0.252 1
1 22 . 5 1 1 A 3 3 GLU N N 30 118.790 122.013 -3.223 1
1 23 . 5 1 1 A 4 4 ASP H H 31 7.940 7.685 0.255 1
1 24 . 5 1 1 A 4 4 ASP HA H 31 4.560 4.817 -0.257 1
1 27 . 5 1 1 A 4 4 ASP C C 31 173.600 174.539 -0.939 1
1 28 . 5 1 1 A 4 4 ASP CA C 31 54.940 53.616 1.324 1
1 29 . 5 1 1 A 4 4 ASP CB C 31 41.650 39.060 2.590 1
1 30 . 5 1 1 A 4 4 ASP N N 31 119.920 121.902 -1.982 1
1 31 . 5 1 1 A 5 5 THR H H 32 7.810 8.635 -0.825 1
1 32 . 5 1 1 A 5 5 THR HA H 32 4.160 4.959 -0.799 1
1 37 . 5 1 1 A 5 5 THR C C 32 171.630 173.878 -2.248 1
1 38 . 5 1 1 A 5 5 THR CA C 32 62.410 62.094 0.316 1
1 39 . 5 1 1 A 5 5 THR CB C 32 70.040 70.259 -0.219 1
1 41 . 5 1 1 A 5 5 THR N N 32 113.570 120.967 -7.397 1
1 42 . 5 1 1 A 6 6 LEU H H 33 8.100 8.915 -0.815 1
1 43 . 5 1 1 A 6 6 LEU HA H 33 4.490 4.927 -0.437 1
1 53 . 5 1 1 A 6 6 LEU C C 33 172.440 174.970 -2.530 1
1 54 . 5 1 1 A 6 6 LEU CA C 33 53.430 51.441 1.989 1
1 55 . 5 1 1 A 6 6 LEU CB C 33 41.900 45.627 -3.727 1
1 59 . 5 1 1 A 6 6 LEU N N 33 125.790 127.098 -1.308 1
1 60 . 5 1 1 A 7 7 PRO HA H 34 4.130 4.719 -0.589 1
1 67 . 5 1 1 A 7 7 PRO CA C 34 63.660 62.994 0.666 1
1 68 . 5 1 1 A 7 7 PRO CB C 34 31.970 32.539 -0.569 1
1 71 . 5 1 1 A 8 8 PHE H H 35 7.610 8.552 -0.942 1
1 72 . 5 1 1 A 8 8 PHE HA H 35 4.580 4.849 -0.269 1
1 77 . 5 1 1 A 8 8 PHE C C 35 171.110 174.651 -3.541 1
1 78 . 5 1 1 A 8 8 PHE CA C 35 57.690 56.116 1.574 1
1 79 . 5 1 1 A 8 8 PHE CB C 35 40.850 38.757 2.093 1
1 80 . 5 1 1 A 8 8 PHE N N 35 117.670 116.402 1.268 1
1 81 . 5 1 1 A 9 9 LEU H H 36 8.310 7.372 0.938 1
1 82 . 5 1 1 A 9 9 LEU HA H 36 4.420 4.675 -0.255 1
1 92 . 5 1 1 A 9 9 LEU C C 36 171.050 173.943 -2.893 1
1 93 . 5 1 1 A 9 9 LEU CA C 36 54.770 54.407 0.363 1
1 94 . 5 1 1 A 9 9 LEU CB C 36 44.230 45.216 -0.986 1
1 98 . 5 1 1 A 9 9 LEU N N 36 125.150 121.369 3.781 1
1 99 . 5 1 1 A 10 10 LYS H H 37 8.130 9.308 -1.178 1
1 100 . 5 1 1 A 10 10 LYS HA H 37 5.110 5.218 -0.108 1
1 109 . 5 1 1 A 10 10 LYS C C 37 172.470 175.041 -2.571 1
1 110 . 5 1 1 A 10 10 LYS CA C 37 54.730 55.056 -0.326 1
1 111 . 5 1 1 A 10 10 LYS CB C 37 35.010 34.533 0.477 1
1 115 . 5 1 1 A 10 10 LYS N N 37 123.550 128.044 -4.494 1
1 116 . 5 1 1 A 11 11 CYS H H 38 9.240 8.850 0.390 1
1 117 . 5 1 1 A 11 11 CYS HA H 38 4.890 5.411 -0.521 1
1 120 . 5 1 1 A 11 11 CYS C C 38 171.750 172.100 -0.350 1
1 121 . 5 1 1 A 11 11 CYS CA C 38 51.950 54.798 -2.848 1
1 122 . 5 1 1 A 11 11 CYS CB C 38 41.360 44.658 -3.298 1
1 123 . 5 1 1 A 11 11 CYS N N 38 121.580 124.431 -2.851 1
1 124 . 5 1 1 A 12 12 TYR H H 39 8.830 8.957 -0.127 1
1 125 . 5 1 1 A 12 12 TYR HA H 39 4.780 4.695 0.085 1
1 132 . 5 1 1 A 12 12 TYR C C 39 172.260 174.736 -2.476 1
1 133 . 5 1 1 A 12 12 TYR CA C 39 58.500 58.642 -0.142 1
1 134 . 5 1 1 A 12 12 TYR CB C 39 40.900 39.365 1.535 1
1 135 . 5 1 1 A 12 12 TYR N N 39 122.390 125.526 -3.136 1
1 136 . 5 1 1 A 13 13 CYS H H 40 7.690 7.959 -0.269 1
1 137 . 5 1 1 A 13 13 CYS HA H 40 4.420 5.732 -1.312 1
1 140 . 5 1 1 A 13 13 CYS CA C 40 53.850 54.061 -0.211 1
1 141 . 5 1 1 A 13 13 CYS CB C 40 48.920 45.230 3.690 1
1 142 . 5 1 1 A 14 14 SER H H 41 7.850 8.807 -0.957 1
1 143 . 5 1 1 A 14 14 SER HA H 41 4.160 4.958 -0.798 1
1 146 . 5 1 1 A 14 14 SER CA C 41 58.450 57.306 1.144 1
1 147 . 5 1 1 A 14 14 SER CB C 41 63.840 66.444 -2.604 1
1 148 . 5 1 1 A 14 14 SER N N 41 117.020 119.390 -2.370 1
1 149 . 5 1 1 A 16 16 HIS HA H 43 4.880 4.796 0.084 1
1 152 . 5 1 1 A 16 16 HIS CA C 43 54.770 54.322 0.448 1
1 153 . 5 1 1 A 16 16 HIS CB C 43 29.490 31.694 -2.204 1
1 154 . 5 1 1 A 17 17 CYS H H 44 8.560 8.409 0.151 1
1 155 . 5 1 1 A 18 18 PRO HA H 45 4.660 4.425 0.235 1
1 160 . 5 1 1 A 18 18 PRO CA C 45 62.500 62.676 -0.176 1
1 161 . 5 1 1 A 18 18 PRO CB C 45 33.140 32.733 0.407 1
1 164 . 5 1 1 A 19 19 ASP H H 46 8.800 8.917 -0.117 1
1 165 . 5 1 1 A 19 19 ASP HA H 46 4.250 4.326 -0.076 1
1 168 . 5 1 1 A 19 19 ASP C C 46 173.430 176.587 -3.157 1
1 169 . 5 1 1 A 19 19 ASP CA C 46 57.190 56.855 0.335 1
1 170 . 5 1 1 A 19 19 ASP CB C 46 40.720 40.486 0.234 1
1 171 . 5 1 1 A 19 19 ASP N N 46 120.170 123.840 -3.670 1
1 172 . 5 1 1 A 20 20 ASP H H 47 8.050 8.230 -0.180 1
1 173 . 5 1 1 A 20 20 ASP HA H 47 4.510 4.622 -0.112 1
1 176 . 5 1 1 A 20 20 ASP C C 47 173.500 176.056 -2.556 1
1 177 . 5 1 1 A 20 20 ASP CA C 47 52.840 53.013 -0.173 1
1 178 . 5 1 1 A 20 20 ASP CB C 47 39.980 39.729 0.251 1
1 179 . 5 1 1 A 20 20 ASP N N 47 114.670 115.163 -0.493 1
1 180 . 5 1 1 A 21 21 ALA H H 48 7.350 7.253 0.097 1
1 181 . 5 1 1 A 21 21 ALA HA H 48 4.280 4.269 0.011 1
1 185 . 5 1 1 A 21 21 ALA C C 48 174.490 176.793 -2.303 1
1 186 . 5 1 1 A 21 21 ALA CA C 48 53.430 52.273 1.157 1
1 187 . 5 1 1 A 21 21 ALA CB C 48 20.870 19.958 0.912 1
1 188 . 5 1 1 A 21 21 ALA N N 48 122.660 122.444 0.216 1
1 189 . 5 1 1 A 22 22 ILE H H 49 7.960 8.130 -0.170 1
1 190 . 5 1 1 A 22 22 ILE HA H 49 4.240 4.572 -0.332 1
1 199 . 5 1 1 A 22 22 ILE C C 49 173.300 176.268 -2.968 1
1 200 . 5 1 1 A 22 22 ILE CA C 49 60.230 59.689 0.541 1
1 201 . 5 1 1 A 22 22 ILE CB C 49 40.280 40.205 0.075 1
1 205 . 5 1 1 A 22 22 ILE N N 49 119.550 119.787 -0.237 1
1 206 . 5 1 1 A 23 23 ASN H H 50 9.280 9.089 0.191 1
1 207 . 5 1 1 A 23 23 ASN HA H 50 4.290 4.441 -0.151 1
1 212 . 5 1 1 A 23 23 ASN CA C 50 54.660 53.862 0.798 1
1 213 . 5 1 1 A 23 23 ASN CB C 50 37.620 36.164 1.456 1
1 214 . 5 1 1 A 23 23 ASN N N 50 125.470 125.335 0.135 1
1 216 . 5 1 1 A 24 24 ASN H H 51 8.850 8.505 0.345 1
1 217 . 5 1 1 A 24 24 ASN HA H 51 4.070 4.194 -0.124 1
1 222 . 5 1 1 A 24 24 ASN C C 51 170.660 173.690 -3.030 1
1 223 . 5 1 1 A 24 24 ASN CA C 51 56.080 54.005 2.075 1
1 224 . 5 1 1 A 24 24 ASN CB C 51 37.430 37.141 0.289 1
1 226 . 5 1 1 A 25 25 THR H H 52 7.190 7.433 -0.243 1
1 227 . 5 1 1 A 25 25 THR HA H 52 5.370 5.097 0.273 1
1 232 . 5 1 1 A 25 25 THR C C 52 169.910 172.419 -2.509 1
1 233 . 5 1 1 A 25 25 THR CA C 52 59.890 59.438 0.452 1
1 234 . 5 1 1 A 25 25 THR CB C 52 73.940 72.506 1.434 1
1 236 . 5 1 1 A 25 25 THR N N 52 105.820 106.714 -0.894 1
1 237 . 5 1 1 A 26 26 CYS H H 53 8.960 8.898 0.062 1
1 238 . 5 1 1 A 26 26 CYS HA H 53 5.000 5.414 -0.414 1
1 241 . 5 1 1 A 26 26 CYS C C 53 168.780 171.579 -2.799 1
1 242 . 5 1 1 A 26 26 CYS CA C 53 52.560 53.625 -1.065 1
1 243 . 5 1 1 A 26 26 CYS CB C 53 48.650 46.324 2.326 1
1 244 . 5 1 1 A 26 26 CYS N N 53 116.070 118.857 -2.787 1
1 245 . 5 1 1 A 27 27 ILE H H 54 8.530 8.509 0.021 1
1 246 . 5 1 1 A 27 27 ILE HA H 54 5.210 5.018 0.192 1
1 256 . 5 1 1 A 27 27 ILE C C 54 173.400 174.848 -1.448 1
1 257 . 5 1 1 A 27 27 ILE CA C 54 59.200 60.196 -0.996 1
1 258 . 5 1 1 A 27 27 ILE CB C 54 40.220 39.937 0.283 1
1 262 . 5 1 1 A 27 27 ILE N N 54 120.170 121.326 -1.156 1
1 263 . 5 1 1 A 28 28 THR H H 55 9.200 8.727 0.473 1
1 264 . 5 1 1 A 28 28 THR HA H 55 4.800 5.258 -0.458 1
1 269 . 5 1 1 A 28 28 THR C C 55 168.370 172.463 -4.093 1
1 270 . 5 1 1 A 28 28 THR CA C 55 60.060 59.553 0.507 1
1 271 . 5 1 1 A 28 28 THR CB C 55 70.490 71.150 -0.660 1
1 273 . 5 1 1 A 28 28 THR N N 55 120.750 119.229 1.521 1
1 274 . 5 1 1 A 29 29 ASN H H 56 8.000 8.501 -0.501 1
1 275 . 5 1 1 A 29 29 ASN HA H 56 4.920 4.923 -0.003 1
1 280 . 5 1 1 A 29 29 ASN C C 56 172.880 175.443 -2.563 1
1 281 . 5 1 1 A 29 29 ASN CA C 56 52.620 51.597 1.023 1
1 282 . 5 1 1 A 29 29 ASN CB C 56 38.920 38.162 0.758 1
1 283 . 5 1 1 A 29 29 ASN N N 56 120.880 123.501 -2.621 1
1 285 . 5 1 1 A 30 30 GLY H H 57 8.510 7.680 0.830 1
1 286 . 5 1 1 A 30 30 GLY HA2 H 57 4.140 4.087 0.053 1
1 287 . 5 1 1 A 30 30 GLY HA3 H 57 3.960 4.152 -0.192 1
1 288 . 5 1 1 A 30 30 GLY C C 57 169.020 173.023 -4.003 1
1 289 . 5 1 1 A 30 30 GLY CA C 57 45.800 45.259 0.541 1
1 290 . 5 1 1 A 30 30 GLY N N 57 111.380 109.432 1.948 1
1 291 . 5 1 1 A 31 31 HIS H H 58 8.560 8.171 0.389 1
1 292 . 5 1 1 A 31 31 HIS HA H 58 4.710 5.355 -0.645 1
1 295 . 5 1 1 A 31 31 HIS C C 58 171.200 174.137 -2.937 1
1 296 . 5 1 1 A 31 31 HIS CA C 58 56.140 54.567 1.573 1
1 297 . 5 1 1 A 31 31 HIS CB C 58 34.650 34.046 0.604 1
1 298 . 5 1 1 A 31 31 HIS N N 58 120.870 117.126 3.744 1
1 299 . 5 1 1 A 32 32 CYS H H 59 8.710 8.550 0.160 1
1 300 . 5 1 1 A 32 32 CYS HA H 59 5.700 5.233 0.467 1
1 303 . 5 1 1 A 32 32 CYS C C 59 173.470 173.583 -0.113 1
1 304 . 5 1 1 A 32 32 CYS CA C 59 52.340 55.250 -2.910 1
1 305 . 5 1 1 A 32 32 CYS CB C 59 36.950 44.032 -7.082 1
1 306 . 5 1 1 A 32 32 CYS N N 59 117.290 119.612 -2.322 1
1 307 . 5 1 1 A 33 33 PHE H H 60 8.700 8.514 0.186 1
1 308 . 5 1 1 A 33 33 PHE HA H 60 6.110 5.817 0.293 1
1 316 . 5 1 1 A 33 33 PHE C C 60 172.200 172.980 -0.780 1
1 317 . 5 1 1 A 33 33 PHE CA C 60 56.630 55.313 1.317 1
1 318 . 5 1 1 A 33 33 PHE CB C 60 44.830 42.616 2.214 1
1 319 . 5 1 1 A 33 33 PHE N N 60 116.070 120.066 -3.996 1
1 320 . 5 1 1 A 34 34 ALA H H 61 9.200 8.417 0.783 1
1 321 . 5 1 1 A 34 34 ALA HA H 61 5.000 4.917 0.083 1
1 325 . 5 1 1 A 34 34 ALA C C 61 171.610 175.613 -4.003 1
1 326 . 5 1 1 A 34 34 ALA CA C 61 52.320 51.491 0.829 1
1 327 . 5 1 1 A 34 34 ALA CB C 61 23.950 22.906 1.044 1
1 328 . 5 1 1 A 34 34 ALA N N 61 125.170 120.949 4.221 1
1 329 . 5 1 1 A 35 35 ILE H H 62 9.470 8.587 0.883 1
1 330 . 5 1 1 A 35 35 ILE HA H 62 5.350 4.885 0.465 1
1 340 . 5 1 1 A 35 35 ILE C C 62 170.850 173.207 -2.357 1
1 341 . 5 1 1 A 35 35 ILE CA C 62 59.260 59.641 -0.381 1
1 342 . 5 1 1 A 35 35 ILE CB C 62 43.660 42.342 1.318 1
1 346 . 5 1 1 A 35 35 ILE N N 62 120.630 119.495 1.135 1
1 347 . 5 1 1 A 36 36 ILE H H 63 8.500 8.927 -0.427 1
1 348 . 5 1 1 A 36 36 ILE HA H 63 5.240 5.302 -0.062 1
1 358 . 5 1 1 A 36 36 ILE C C 63 170.510 173.111 -2.601 1
1 359 . 5 1 1 A 36 36 ILE CA C 63 59.130 59.148 -0.018 1
1 360 . 5 1 1 A 36 36 ILE CB C 63 41.670 42.464 -0.794 1
1 364 . 5 1 1 A 36 36 ILE N N 63 125.830 126.137 -0.307 1
1 365 . 5 1 1 A 37 37 GLU H H 64 8.450 8.747 -0.297 1
1 366 . 5 1 1 A 37 37 GLU HA H 64 5.010 4.887 0.123 1
1 371 . 5 1 1 A 37 37 GLU C C 64 171.410 174.431 -3.021 1
1 372 . 5 1 1 A 37 37 GLU CA C 64 54.830 55.032 -0.202 1
1 373 . 5 1 1 A 37 37 GLU CB C 64 34.320 34.249 0.071 1
1 375 . 5 1 1 A 37 37 GLU N N 64 124.570 127.031 -2.461 1
1 376 . 5 1 1 A 38 38 GLU H H 65 8.300 8.524 -0.224 1
1 377 . 5 1 1 A 38 38 GLU HA H 65 5.040 5.005 0.035 1
1 382 . 5 1 1 A 38 38 GLU C C 65 172.920 175.926 -3.006 1
1 383 . 5 1 1 A 38 38 GLU CA C 65 54.760 55.102 -0.342 1
1 384 . 5 1 1 A 38 38 GLU CB C 65 33.470 31.656 1.814 1
1 386 . 5 1 1 A 38 38 GLU N N 65 123.960 123.682 0.278 1
1 387 . 5 1 1 A 39 39 ASP H H 66 8.470 8.311 0.159 1
1 388 . 5 1 1 A 39 39 ASP HA H 66 4.750 4.898 -0.148 1
1 391 . 5 1 1 A 39 39 ASP C C 66 174.940 177.748 -2.808 1
1 392 . 5 1 1 A 39 39 ASP CA C 66 52.890 52.505 0.385 1
1 393 . 5 1 1 A 39 39 ASP CB C 66 41.990 41.358 0.632 1
1 394 . 5 1 1 A 39 39 ASP N N 66 124.870 126.787 -1.917 1
1 395 . 5 1 1 A 40 40 ASP H H 67 8.380 8.903 -0.523 1
1 396 . 5 1 1 A 40 40 ASP HA H 67 4.310 4.462 -0.152 1
1 399 . 5 1 1 A 40 40 ASP C C 67 174.210 176.944 -2.734 1
1 400 . 5 1 1 A 40 40 ASP CA C 67 56.350 56.090 0.260 1
1 401 . 5 1 1 A 40 40 ASP CB C 67 40.510 39.993 0.517 1
1 402 . 5 1 1 A 40 40 ASP N N 67 116.220 118.536 -2.316 1
1 403 . 5 1 1 A 41 41 GLN H H 68 8.200 7.745 0.455 1
1 404 . 5 1 1 A 41 41 GLN HA H 68 4.380 4.368 0.012 1
1 411 . 5 1 1 A 41 41 GLN C C 68 173.740 176.416 -2.676 1
1 412 . 5 1 1 A 41 41 GLN CA C 68 55.590 55.618 -0.028 1
1 413 . 5 1 1 A 41 41 GLN CB C 68 29.780 29.419 0.361 1
1 415 . 5 1 1 A 41 41 GLN N N 68 117.190 117.485 -0.295 1
1 417 . 5 1 1 A 42 42 GLY H H 69 8.000 8.179 -0.179 1
1 418 . 5 1 1 A 42 42 GLY HA2 H 69 3.630 3.914 -0.284 1
1 419 . 5 1 1 A 42 42 GLY HA3 H 69 4.140 3.915 0.225 1
1 420 . 5 1 1 A 42 42 GLY C C 69 171.650 174.300 -2.650 1
1 421 . 5 1 1 A 42 42 GLY CA C 69 45.730 45.709 0.021 1
1 422 . 5 1 1 A 42 42 GLY N N 69 108.130 108.506 -0.376 1
1 423 . 5 1 1 A 43 43 GLU H H 70 8.410 8.083 0.327 1
1 424 . 5 1 1 A 43 43 GLU HA H 70 4.450 4.597 -0.147 1
1 429 . 5 1 1 A 43 43 GLU C C 70 173.970 176.328 -2.358 1
1 430 . 5 1 1 A 43 43 GLU CA C 70 56.020 55.240 0.780 1
1 431 . 5 1 1 A 43 43 GLU CB C 70 30.300 31.064 -0.764 1
1 433 . 5 1 1 A 43 43 GLU N N 70 122.300 119.693 2.607 1
1 434 . 5 1 1 A 44 44 THR H H 71 8.620 8.481 0.139 1
1 435 . 5 1 1 A 44 44 THR HA H 71 5.210 5.202 0.008 1
1 440 . 5 1 1 A 44 44 THR C C 71 172.160 174.017 -1.857 1
1 441 . 5 1 1 A 44 44 THR CA C 71 61.600 60.792 0.808 1
1 442 . 5 1 1 A 44 44 THR CB C 71 71.000 70.104 0.896 1
1 444 . 5 1 1 A 44 44 THR N N 71 117.330 113.837 3.493 1
1 445 . 5 1 1 A 45 45 THR H H 72 8.760 8.657 0.103 1
1 446 . 5 1 1 A 45 45 THR HA H 72 4.500 5.076 -0.576 1
1 451 . 5 1 1 A 45 45 THR C C 72 169.600 173.604 -4.004 1
1 452 . 5 1 1 A 45 45 THR CA C 72 61.270 60.541 0.729 1
1 453 . 5 1 1 A 45 45 THR CB C 72 72.320 70.035 2.285 1
1 455 . 5 1 1 A 45 45 THR N N 72 117.840 117.636 0.204 1
1 456 . 5 1 1 A 46 46 LEU H H 73 8.400 9.194 -0.794 1
1 457 . 5 1 1 A 46 46 LEU HA H 73 5.250 5.087 0.163 1
1 464 . 5 1 1 A 46 46 LEU C C 73 173.150 175.524 -2.374 1
1 465 . 5 1 1 A 46 46 LEU CA C 73 54.300 53.853 0.447 1
1 466 . 5 1 1 A 46 46 LEU CB C 73 44.860 43.495 1.365 1
1 470 . 5 1 1 A 46 46 LEU N N 73 126.020 127.639 -1.619 1
1 471 . 5 1 1 A 47 47 ALA HA H 74 4.760 5.383 -0.623 1
1 475 . 5 1 1 A 47 47 ALA C C 74 172.740 175.411 -2.671 1
1 476 . 5 1 1 A 47 47 ALA CA C 74 51.440 51.015 0.425 1
1 477 . 5 1 1 A 47 47 ALA CB C 74 23.350 23.749 -0.399 1
1 478 . 5 1 1 A 48 48 SER H H 75 8.700 8.249 0.451 1
1 479 . 5 1 1 A 48 48 SER HA H 75 4.500 4.641 -0.141 1
1 482 . 5 1 1 A 48 48 SER C C 75 171.590 173.042 -1.452 1
1 483 . 5 1 1 A 48 48 SER CA C 75 57.740 56.392 1.348 1
1 484 . 5 1 1 A 48 48 SER CB C 75 65.700 65.974 -0.274 1
1 485 . 5 1 1 A 48 48 SER N N 75 111.400 113.972 -2.572 1
1 486 . 5 1 1 A 49 49 GLY H H 76 6.440 7.278 -0.838 1
1 487 . 5 1 1 A 49 49 GLY HA2 H 76 3.850 3.876 -0.026 1
1 488 . 5 1 1 A 49 49 GLY HA3 H 76 3.730 3.880 -0.150 1
1 489 . 5 1 1 A 49 49 GLY C C 76 167.890 171.253 -3.363 1
1 490 . 5 1 1 A 49 49 GLY CA C 76 47.420 45.852 1.568 1
1 491 . 5 1 1 A 49 49 GLY N N 76 105.480 105.741 -0.261 1
1 492 . 5 1 1 A 50 50 CYS H H 77 8.740 8.351 0.389 1
1 493 . 5 1 1 A 50 50 CYS HA H 77 4.950 5.357 -0.407 1
1 496 . 5 1 1 A 50 50 CYS C C 77 170.670 172.743 -2.073 1
1 497 . 5 1 1 A 50 50 CYS CA C 77 60.030 55.252 4.778 1
1 498 . 5 1 1 A 50 50 CYS CB C 77 46.100 43.333 2.767 1
1 499 . 5 1 1 A 50 50 CYS N N 77 118.960 119.783 -0.823 1
1 500 . 5 1 1 A 51 51 MET H H 78 9.240 9.050 0.190 1
1 501 . 5 1 1 A 51 51 MET HA H 78 4.760 4.985 -0.225 1
1 509 . 5 1 1 A 51 51 MET C C 78 171.990 176.058 -4.068 1
1 510 . 5 1 1 A 51 51 MET CA C 78 54.630 54.222 0.408 1
1 511 . 5 1 1 A 51 51 MET CB C 78 35.810 34.810 1.000 1
1 514 . 5 1 1 A 51 51 MET N N 78 122.340 125.961 -3.621 1
1 515 . 5 1 1 A 52 52 LYS H H 79 8.430 8.449 -0.019 1
1 516 . 5 1 1 A 52 52 LYS HA H 79 4.160 4.304 -0.144 1
1 525 . 5 1 1 A 52 52 LYS C C 79 173.040 175.887 -2.847 1
1 526 . 5 1 1 A 52 52 LYS CA C 79 57.120 56.111 1.009 1
1 527 . 5 1 1 A 52 52 LYS CB C 79 33.720 32.769 0.951 1
1 531 . 5 1 1 A 52 52 LYS N N 79 125.030 124.308 0.722 1
1 532 . 5 1 1 A 53 53 TYR H H 80 8.400 8.813 -0.413 1
1 533 . 5 1 1 A 53 53 TYR HA H 80 4.200 4.595 -0.395 1
1 536 . 5 1 1 A 53 53 TYR C C 80 173.370 175.375 -2.005 1
1 537 . 5 1 1 A 53 53 TYR CA C 80 59.910 59.322 0.588 1
1 538 . 5 1 1 A 53 53 TYR CB C 80 39.000 39.307 -0.307 1
1 539 . 5 1 1 A 53 53 TYR N N 80 121.420 120.957 0.463 1
1 540 . 5 1 1 A 54 54 GLU H H 81 8.490 8.629 -0.139 1
1 541 . 5 1 1 A 54 54 GLU HA H 81 4.170 4.634 -0.464 1
1 545 . 5 1 1 A 54 54 GLU C C 81 173.240 176.565 -3.325 1
1 546 . 5 1 1 A 54 54 GLU CA C 81 56.440 56.703 -0.263 1
1 547 . 5 1 1 A 54 54 GLU CB C 81 30.860 32.391 -1.531 1
1 549 . 5 1 1 A 54 54 GLU N N 81 123.790 124.521 -0.731 1
1 550 . 5 1 1 A 55 55 GLY H H 82 7.200 7.420 -0.220 1
1 551 . 5 1 1 A 55 55 GLY HA2 H 82 4.050 3.837 0.213 1
1 552 . 5 1 1 A 55 55 GLY HA3 H 82 3.690 3.935 -0.245 1
1 553 . 5 1 1 A 55 55 GLY C C 82 171.520 174.707 -3.187 1
1 554 . 5 1 1 A 55 55 GLY CA C 82 45.680 45.250 0.430 1
1 555 . 5 1 1 A 55 55 GLY N N 82 108.400 106.918 1.482 1
1 556 . 5 1 1 A 56 56 SER H H 83 8.140 7.884 0.256 1
1 557 . 5 1 1 A 56 56 SER HA H 83 4.280 4.361 -0.081 1
1 560 . 5 1 1 A 56 56 SER C C 83 171.900 175.140 -3.240 1
1 561 . 5 1 1 A 56 56 SER CA C 83 59.270 59.524 -0.254 1
1 562 . 5 1 1 A 56 56 SER CB C 83 63.960 63.446 0.514 1
1 563 . 5 1 1 A 56 56 SER N N 83 114.650 116.526 -1.876 1
1 564 . 5 1 1 A 57 57 ASP H H 84 8.340 9.039 -0.699 1
1 565 . 5 1 1 A 57 57 ASP HA H 84 4.430 4.611 -0.181 1
1 568 . 5 1 1 A 57 57 ASP C C 84 173.100 176.837 -3.737 1
1 569 . 5 1 1 A 57 57 ASP CA C 84 54.950 56.196 -1.246 1
1 570 . 5 1 1 A 57 57 ASP CB C 84 40.840 41.055 -0.215 1
1 571 . 5 1 1 A 57 57 ASP N N 84 121.230 124.975 -3.745 1
1 572 . 5 1 1 A 58 58 PHE H H 85 7.730 7.728 0.002 1
1 573 . 5 1 1 A 58 58 PHE HA H 85 4.260 4.821 -0.561 1
1 581 . 5 1 1 A 58 58 PHE C C 85 172.590 174.865 -2.275 1
1 582 . 5 1 1 A 58 58 PHE CA C 85 58.520 56.956 1.564 1
1 583 . 5 1 1 A 58 58 PHE CB C 85 39.840 40.201 -0.361 1
1 584 . 5 1 1 A 58 58 PHE N N 85 118.920 119.043 -0.123 1
1 585 . 5 1 1 A 59 59 GLN H H 86 7.790 7.677 0.113 1
1 586 . 5 1 1 A 59 59 GLN HA H 86 4.070 4.433 -0.363 1
1 593 . 5 1 1 A 59 59 GLN C C 86 172.550 175.115 -2.565 1
1 594 . 5 1 1 A 59 59 GLN CA C 86 56.000 54.995 1.005 1
1 595 . 5 1 1 A 59 59 GLN CB C 86 30.600 26.559 4.041 1
1 597 . 5 1 1 A 59 59 GLN N N 86 120.280 119.951 0.329 1
1 599 . 5 1 1 A 60 60 CYS H H 87 8.100 8.349 -0.249 1
1 600 . 5 1 1 A 60 60 CYS HA H 87 4.140 4.648 -0.508 1
1 603 . 5 1 1 A 60 60 CYS C C 87 170.910 173.331 -2.421 1
1 604 . 5 1 1 A 60 60 CYS CA C 87 56.810 55.096 1.714 1
1 605 . 5 1 1 A 60 60 CYS CB C 87 40.780 42.735 -1.955 1
1 606 . 5 1 1 A 60 60 CYS N N 87 118.790 123.642 -4.852 1
1 607 . 5 1 1 A 61 61 LYS H H 88 7.610 7.459 0.151 1
1 608 . 5 1 1 A 61 61 LYS HA H 88 4.280 4.453 -0.173 1
1 617 . 5 1 1 A 61 61 LYS C C 88 172.330 175.565 -3.235 1
1 618 . 5 1 1 A 61 61 LYS CA C 88 56.210 55.263 0.947 1
1 619 . 5 1 1 A 61 61 LYS CB C 88 34.210 34.008 0.202 1
1 623 . 5 1 1 A 61 61 LYS N N 88 120.330 121.321 -0.991 1
1 624 . 5 1 1 A 62 62 ASP H H 89 8.180 8.650 -0.470 1
1 625 . 5 1 1 A 62 62 ASP HA H 89 4.500 5.223 -0.723 1
1 628 . 5 1 1 A 62 62 ASP C C 89 172.970 175.860 -2.890 1
1 629 . 5 1 1 A 62 62 ASP CA C 89 54.200 53.040 1.160 1
1 630 . 5 1 1 A 62 62 ASP CB C 89 42.090 42.606 -0.516 1
1 631 . 5 1 1 A 62 62 ASP N N 89 121.190 120.140 1.050 1
1 632 . 5 1 1 A 63 63 SER H H 90 8.190 8.807 -0.617 1
1 633 . 5 1 1 A 63 63 SER HA H 90 4.640 4.724 -0.084 1
1 636 . 5 1 1 A 63 63 SER C C 90 170.240 174.300 -4.060 1
1 637 . 5 1 1 A 63 63 SER CA C 90 56.600 57.177 -0.577 1
1 638 . 5 1 1 A 63 63 SER CB C 90 63.770 63.077 0.693 1
1 639 . 5 1 1 A 63 63 SER N N 90 116.710 120.051 -3.341 1
1 640 . 5 1 1 A 64 64 PRO HA H 91 4.350 4.586 -0.236 1
1 647 . 5 1 1 A 64 64 PRO CA C 91 63.800 62.779 1.021 1
1 648 . 5 1 1 A 64 64 PRO CB C 91 32.410 29.710 2.700 1
1 651 . 5 1 1 A 65 65 LYS H H 92 8.240 7.591 0.649 1
1 652 . 5 1 1 A 65 65 LYS HA H 92 4.210 4.540 -0.330 1
1 661 . 5 1 1 A 65 65 LYS C C 92 173.330 174.792 -1.462 1
1 662 . 5 1 1 A 65 65 LYS CA C 92 56.410 55.185 1.225 1
1 663 . 5 1 1 A 65 65 LYS CB C 92 33.230 32.980 0.250 1
1 667 . 5 1 1 A 65 65 LYS N N 92 120.180 121.495 -1.315 1
1 668 . 5 1 1 A 66 66 ALA H H 93 8.040 7.610 0.430 1
1 669 . 5 1 1 A 66 66 ALA HA H 93 4.210 4.300 -0.090 1
1 673 . 5 1 1 A 66 66 ALA C C 93 174.580 176.610 -2.030 1
1 674 . 5 1 1 A 66 66 ALA CA C 93 53.020 51.890 1.130 1
1 675 . 5 1 1 A 66 66 ALA CB C 93 19.760 20.126 -0.366 1
1 676 . 5 1 1 A 66 66 ALA N N 93 124.050 124.125 -0.075 1
1 677 . 5 1 1 A 67 67 GLN H H 94 8.320 8.714 -0.394 1
1 678 . 5 1 1 A 67 67 GLN HA H 94 4.190 4.797 -0.607 1
1 685 . 5 1 1 A 67 67 GLN C C 94 172.780 173.828 -1.048 1
1 686 . 5 1 1 A 67 67 GLN CA C 94 56.750 54.241 2.509 1
1 687 . 5 1 1 A 67 67 GLN CB C 94 29.100 31.593 -2.493 1
1 689 . 5 1 1 A 67 67 GLN N N 94 117.930 118.387 -0.457 1
1 691 . 5 1 1 A 68 68 LEU H H 95 7.730 8.267 -0.537 1
1 692 . 5 1 1 A 68 68 LEU HA H 95 4.360 4.395 -0.035 1
1 702 . 5 1 1 A 68 68 LEU C C 95 174.270 176.391 -2.121 1
1 703 . 5 1 1 A 68 68 LEU CA C 95 54.970 55.125 -0.155 1
1 704 . 5 1 1 A 68 68 LEU CB C 95 43.120 43.337 -0.217 1
1 708 . 5 1 1 A 68 68 LEU N N 95 120.470 123.084 -2.614 1
1 709 . 5 1 1 A 69 69 ARG H H 96 8.600 8.433 0.167 1
1 710 . 5 1 1 A 69 69 ARG HA H 96 4.230 4.437 -0.207 1
1 718 . 5 1 1 A 69 69 ARG C C 96 171.700 175.734 -4.034 1
1 719 . 5 1 1 A 69 69 ARG CA C 96 56.570 56.743 -0.173 1
1 720 . 5 1 1 A 69 69 ARG CB C 96 30.660 30.646 0.014 1
1 723 . 5 1 1 A 69 69 ARG N N 96 121.670 124.645 -2.975 1
1 725 . 5 1 1 A 70 70 ARG H H 97 7.800 8.609 -0.809 1
1 726 . 5 1 1 A 70 70 ARG HA H 97 5.170 5.130 0.040 1
1 734 . 5 1 1 A 70 70 ARG C C 97 172.120 173.295 -1.175 1
1 735 . 5 1 1 A 70 70 ARG CA C 97 55.260 54.650 0.610 1
1 736 . 5 1 1 A 70 70 ARG CB C 97 34.040 34.088 -0.048 1
1 739 . 5 1 1 A 70 70 ARG N N 97 120.130 122.957 -2.827 1
1 741 . 5 1 1 A 71 71 THR H H 98 8.610 8.166 0.444 1
1 742 . 5 1 1 A 71 71 THR HA H 98 4.600 5.205 -0.605 1
1 747 . 5 1 1 A 71 71 THR C C 98 169.250 173.546 -4.296 1
1 748 . 5 1 1 A 71 71 THR CA C 98 62.030 61.611 0.419 1
1 749 . 5 1 1 A 71 71 THR CB C 98 71.970 72.088 -0.118 1
1 751 . 5 1 1 A 71 71 THR N N 98 118.550 114.160 4.390 1
1 752 . 5 1 1 A 72 72 ILE H H 99 8.520 8.675 -0.155 1
1 753 . 5 1 1 A 72 72 ILE HA H 99 5.080 5.086 -0.006 1
1 763 . 5 1 1 A 72 72 ILE C C 99 170.930 172.931 -2.001 1
1 764 . 5 1 1 A 72 72 ILE CA C 99 59.370 59.328 0.042 1
1 765 . 5 1 1 A 72 72 ILE CB C 99 42.140 42.372 -0.232 1
1 769 . 5 1 1 A 72 72 ILE N N 99 125.230 122.995 2.235 1
1 770 . 5 1 1 A 73 73 GLU H H 100 8.860 8.675 0.185 1
1 771 . 5 1 1 A 73 73 GLU HA H 100 4.670 5.135 -0.465 1
1 776 . 5 1 1 A 73 73 GLU C C 100 172.200 174.873 -2.673 1
1 777 . 5 1 1 A 73 73 GLU CA C 100 55.840 54.878 0.962 1
1 778 . 5 1 1 A 73 73 GLU CB C 100 34.410 34.277 0.133 1
1 780 . 5 1 1 A 73 73 GLU N N 100 125.680 125.684 -0.004 1
1 781 . 5 1 1 A 74 74 CYS H H 101 8.830 9.048 -0.218 1
1 782 . 5 1 1 A 74 74 CYS HA H 101 5.790 5.585 0.205 1
1 785 . 5 1 1 A 74 74 CYS C C 101 170.360 172.618 -2.258 1
1 786 . 5 1 1 A 74 74 CYS CA C 101 55.010 54.641 0.369 1
1 787 . 5 1 1 A 74 74 CYS CB C 101 45.320 45.622 -0.302 1
1 788 . 5 1 1 A 74 74 CYS N N 101 119.260 117.361 1.899 1
1 789 . 5 1 1 A 75 75 CYS H H 102 9.130 8.574 0.556 1
1 790 . 5 1 1 A 75 75 CYS HA H 102 5.000 5.336 -0.336 1
1 793 . 5 1 1 A 75 75 CYS C C 102 170.670 171.885 -1.215 1
1 794 . 5 1 1 A 75 75 CYS CA C 102 56.180 55.699 0.481 1
1 795 . 5 1 1 A 75 75 CYS CB C 102 46.090 46.226 -0.136 1
1 796 . 5 1 1 A 75 75 CYS N N 102 116.460 118.893 -2.433 1
1 797 . 5 1 1 A 76 76 ARG H H 103 9.240 9.067 0.173 1
1 798 . 5 1 1 A 76 76 ARG HA H 103 4.800 4.539 0.261 1
1 806 . 5 1 1 A 76 76 ARG C C 103 172.120 174.673 -2.553 1
1 807 . 5 1 1 A 76 76 ARG CA C 103 56.230 55.123 1.107 1
1 808 . 5 1 1 A 76 76 ARG CB C 103 32.610 29.527 3.083 1
1 811 . 5 1 1 A 76 76 ARG N N 103 122.520 125.569 -3.049 1
1 813 . 5 1 1 A 77 77 THR H H 104 7.440 7.740 -0.300 1
1 814 . 5 1 1 A 77 77 THR HA H 104 4.600 5.159 -0.559 1
1 819 . 5 1 1 A 77 77 THR C C 104 171.890 173.610 -1.720 1
1 820 . 5 1 1 A 77 77 THR CA C 104 61.270 59.519 1.751 1
1 821 . 5 1 1 A 77 77 THR CB C 104 72.490 72.024 0.466 1
1 823 . 5 1 1 A 77 77 THR N N 104 109.730 112.138 -2.408 1
1 824 . 5 1 1 A 78 78 ASN H H 105 8.590 8.728 -0.138 1
1 825 . 5 1 1 A 78 78 ASN HA H 105 4.790 4.653 0.137 1
1 830 . 5 1 1 A 78 78 ASN C C 105 174.150 175.279 -1.129 1
1 831 . 5 1 1 A 78 78 ASN CA C 105 55.870 54.062 1.808 1
1 832 . 5 1 1 A 78 78 ASN CB C 105 39.260 38.232 1.028 1
1 833 . 5 1 1 A 78 78 ASN N N 105 119.360 119.470 -0.110 1
1 835 . 5 1 1 A 79 79 LEU H H 106 9.980 8.771 1.209 1
1 836 . 5 1 1 A 79 79 LEU HA H 106 3.680 3.944 -0.264 1
1 846 . 5 1 1 A 79 79 LEU C C 106 175.050 177.526 -2.476 1
1 847 . 5 1 1 A 79 79 LEU CA C 106 56.790 56.030 0.760 1
1 848 . 5 1 1 A 79 79 LEU CB C 106 38.920 39.337 -0.417 1
1 852 . 5 1 1 A 79 79 LEU N N 106 118.230 117.740 0.490 1
1 853 . 5 1 1 A 80 80 CYS H H 107 8.250 8.013 0.237 1
1 854 . 5 1 1 A 80 80 CYS HA H 107 4.320 4.407 -0.087 1
1 857 . 5 1 1 A 80 80 CYS C C 107 172.470 175.785 -3.315 1
1 858 . 5 1 1 A 80 80 CYS CA C 107 58.370 58.783 -0.413 1
1 859 . 5 1 1 A 80 80 CYS CB C 107 46.090 42.094 3.996 1
1 860 . 5 1 1 A 80 80 CYS N N 107 115.460 116.628 -1.168 1
1 861 . 5 1 1 A 81 81 ASN H H 108 8.590 7.803 0.787 1
1 862 . 5 1 1 A 81 81 ASN HA H 108 4.430 4.621 -0.191 1
1 867 . 5 1 1 A 81 81 ASN C C 108 172.210 177.908 -5.698 1
1 868 . 5 1 1 A 81 81 ASN CA C 108 53.320 55.464 -2.144 1
1 869 . 5 1 1 A 81 81 ASN CB C 108 37.290 38.379 -1.089 1
1 870 . 5 1 1 A 81 81 ASN N N 108 118.040 120.413 -2.373 1
1 872 . 5 1 1 A 82 82 GLN H H 109 7.490 7.855 -0.365 1
1 873 . 5 1 1 A 82 82 GLN HA H 109 3.380 3.506 -0.126 1
1 880 . 5 1 1 A 82 82 GLN C C 109 172.300 176.856 -4.556 1
1 881 . 5 1 1 A 82 82 GLN CA C 109 58.940 58.209 0.731 1
1 882 . 5 1 1 A 82 82 GLN CB C 109 28.770 27.816 0.954 1
1 884 . 5 1 1 A 82 82 GLN N N 109 121.350 120.244 1.106 1
1 886 . 5 1 1 A 83 83 TYR H H 110 7.830 7.677 0.153 1
1 887 . 5 1 1 A 83 83 TYR HA H 110 4.590 4.656 -0.066 1
1 892 . 5 1 1 A 83 83 TYR CA C 110 56.490 57.479 -0.989 1
1 893 . 5 1 1 A 83 83 TYR CB C 110 38.400 38.037 0.363 1
1 894 . 5 1 1 A 83 83 TYR N N 110 114.600 116.436 -1.836 1
1 895 . 5 1 1 A 84 84 LEU H H 111 6.610 7.440 -0.830 1
1 896 . 5 1 1 A 84 84 LEU HA H 111 4.170 5.013 -0.843 1
1 905 . 5 1 1 A 84 84 LEU C C 111 172.880 174.737 -1.857 1
1 906 . 5 1 1 A 84 84 LEU CA C 111 55.250 53.589 1.661 1
1 907 . 5 1 1 A 84 84 LEU CB C 111 43.400 44.781 -1.381 1
1 911 . 5 1 1 A 84 84 LEU N N 111 120.140 122.064 -1.924 1
1 912 . 5 1 1 A 85 85 GLN H H 112 8.780 8.984 -0.204 1
1 913 . 5 1 1 A 85 85 GLN HA H 112 4.570 4.899 -0.329 1
1 920 . 5 1 1 A 85 85 GLN C C 112 169.480 174.337 -4.857 1
1 921 . 5 1 1 A 85 85 GLN CA C 112 53.110 52.670 0.440 1
1 922 . 5 1 1 A 85 85 GLN CB C 112 30.000 30.411 -0.411 1
1 924 . 5 1 1 A 85 85 GLN N N 112 122.790 127.587 -4.797 1
1 926 . 5 1 1 A 86 86 PRO HA H 113 4.400 5.206 -0.806 1
1 931 . 5 1 1 A 86 86 PRO CA C 113 63.040 62.536 0.504 1
1 932 . 5 1 1 A 86 86 PRO CB C 113 32.400 31.885 0.515 1
1 935 . 5 1 1 A 87 87 THR H H 114 8.180 8.577 -0.397 1
1 936 . 5 1 1 A 87 87 THR HA H 114 4.400 5.040 -0.640 1
1 941 . 5 1 1 A 87 87 THR C C 114 172.180 173.319 -1.139 1
1 942 . 5 1 1 A 87 87 THR CA C 114 60.960 59.735 1.225 1
1 943 . 5 1 1 A 87 87 THR CB C 114 71.290 72.119 -0.829 1
1 945 . 5 1 1 A 87 87 THR N N 114 111.930 112.489 -0.559 1
1 946 . 5 1 1 A 88 88 LEU H H 115 8.580 8.614 -0.034 1
1 947 . 5 1 1 A 88 88 LEU HA H 115 4.300 4.856 -0.556 1
1 956 . 5 1 1 A 88 88 LEU C C 115 171.740 174.691 -2.951 1
1 957 . 5 1 1 A 88 88 LEU CA C 115 53.230 53.678 -0.448 1
1 958 . 5 1 1 A 88 88 LEU CB C 115 41.900 41.058 0.842 1
1 962 . 5 1 1 A 88 88 LEU N N 115 125.290 124.574 0.716 1
1 963 . 5 1 1 A 89 89 PRO HA H 116 4.630 4.636 -0.006 1
1 970 . 5 1 1 A 89 89 PRO CA C 116 61.580 61.726 -0.146 1
1 971 . 5 1 1 A 89 89 PRO CB C 116 30.980 31.637 -0.657 1
1 974 . 5 1 1 A 90 90 PRO HA H 117 4.350 4.510 -0.160 1
1 977 . 5 1 1 A 90 90 PRO CA C 117 63.010 62.629 0.381 1
1 978 . 5 1 1 A 90 90 PRO CB C 117 32.300 32.378 -0.078 1
1 981 . 5 1 1 A 91 91 VAL H H 118 8.190 8.396 -0.206 1
1 982 . 5 1 1 A 91 91 VAL HA H 118 3.900 4.389 -0.489 1
1 990 . 5 1 1 A 91 91 VAL C C 118 173.270 176.223 -2.953 1
1 991 . 5 1 1 A 91 91 VAL CA C 118 62.890 62.602 0.288 1
1 992 . 5 1 1 A 91 91 VAL CB C 118 32.980 32.186 0.794 1
1 994 . 5 1 1 A 91 91 VAL N N 118 120.460 122.911 -2.451 1
1 995 . 5 1 1 A 92 92 VAL H H 119 8.180 8.531 -0.351 1
1 996 . 5 1 1 A 92 92 VAL HA H 119 4.040 4.488 -0.448 1
1 1004 . 5 1 1 A 92 92 VAL C C 119 172.960 175.714 -2.754 1
1 1005 . 5 1 1 A 92 92 VAL CA C 119 62.250 61.196 1.054 1
1 1006 . 5 1 1 A 92 92 VAL CB C 119 33.280 33.138 0.142 1
1 1008 . 5 1 1 A 92 92 VAL N N 119 125.030 120.905 4.125 1
1 1009 . 5 1 1 A 93 93 ILE H H 120 8.220 8.521 -0.301 1
1 1010 . 5 1 1 A 93 93 ILE HA H 120 4.110 4.486 -0.376 1
1 1015 . 5 1 1 A 93 93 ILE C C 120 173.440 176.018 -2.578 1
1 1016 . 5 1 1 A 93 93 ILE CA C 120 61.050 60.418 0.632 1
1 1017 . 5 1 1 A 93 93 ILE CB C 120 39.030 37.444 1.586 1
1 1021 . 5 1 1 A 93 93 ILE N N 120 125.690 123.344 2.346 1
1 1022 . 5 1 1 A 94 94 GLY H H 121 8.190 8.143 0.047 1
1 1023 . 5 1 1 A 94 94 GLY HA2 H 121 4.050 4.156 -0.106 1
1 1024 . 5 1 1 A 94 94 GLY HA3 H 121 3.940 4.162 -0.222 1
1 1025 . 5 1 1 A 94 94 GLY C C 121 169.080 173.570 -4.490 1
1 1026 . 5 1 1 A 94 94 GLY CA C 121 44.850 44.817 0.033 1
1 1027 . 5 1 1 A 94 94 GLY N N 121 113.150 112.452 0.698 1
1 1028 . 5 1 1 A 95 95 PRO HA H 122 4.270 4.532 -0.262 1
1 1032 . 5 1 1 A 95 95 PRO CA C 122 63.340 63.104 0.236 1
1 1033 . 5 1 1 A 95 95 PRO CB C 122 32.160 32.246 -0.086 1
1 1036 . 5 1 1 A 96 96 PHE H H 123 8.140 8.388 -0.248 1
1 1037 . 5 1 1 A 96 96 PHE HA H 123 4.510 4.779 -0.269 1
1 1040 . 5 1 1 A 96 96 PHE C C 123 172.700 174.659 -1.959 1
1 1041 . 5 1 1 A 96 96 PHE CA C 123 58.040 56.075 1.965 1
1 1042 . 5 1 1 A 96 96 PHE CB C 123 39.710 40.264 -0.554 1
1 1043 . 5 1 1 A 96 96 PHE N N 123 119.410 118.182 1.228 1
1 1044 . 5 1 1 A 97 97 PHE H H 124 8.000 9.110 -1.110 1
1 1045 . 5 1 1 A 97 97 PHE HA H 124 4.490 4.878 -0.388 1
1 1048 . 5 1 1 A 97 97 PHE C C 124 172.140 174.381 -2.241 1
1 1049 . 5 1 1 A 97 97 PHE CA C 124 58.000 56.516 1.484 1
1 1050 . 5 1 1 A 97 97 PHE CB C 124 40.140 43.214 -3.074 1
1 1051 . 5 1 1 A 97 97 PHE N N 124 122.180 118.772 3.408 1
1 1052 . 5 1 1 A 98 98 ASP H H 125 8.100 8.763 -0.663 1
1 1053 . 5 1 1 A 98 98 ASP HA H 125 4.400 4.873 -0.473 1
1 1056 . 5 1 1 A 98 98 ASP C C 125 173.870 176.828 -2.958 1
1 1057 . 5 1 1 A 98 98 ASP CA C 125 54.470 54.665 -0.195 1
1 1058 . 5 1 1 A 98 98 ASP CB C 125 41.390 41.819 -0.429 1
1 1059 . 5 1 1 A 98 98 ASP N N 125 123.000 121.936 1.064 1
1 1060 . 5 1 1 A 99 99 GLY H H 126 8.010 8.798 -0.788 1
1 1061 . 5 1 1 A 99 99 GLY HA3 H 126 3.860 4.169 -0.309 1
1 1062 . 5 1 1 A 99 99 GLY C C 126 171.640 174.726 -3.086 1
1 1063 . 5 1 1 A 99 99 GLY CA C 126 45.860 45.380 0.480 1
1 1064 . 5 1 1 A 99 99 GLY N N 126 109.280 111.793 -2.513 1
1 1065 . 5 1 1 A 100 100 SER H H 127 8.110 8.066 0.044 1
1 1066 . 5 1 1 A 100 100 SER HA H 127 4.320 4.551 -0.231 1
1 1069 . 5 1 1 A 100 100 SER C C 127 171.520 173.823 -2.303 1
1 1070 . 5 1 1 A 100 100 SER CA C 127 59.190 58.222 0.968 1
1 1071 . 5 1 1 A 100 100 SER CB C 127 64.240 64.859 -0.619 1
1 1072 . 5 1 1 A 100 100 SER N N 127 115.760 115.055 0.705 1
1 1073 . 5 1 1 A 101 101 ILE H H 128 7.960 8.496 -0.536 1
1 1074 . 5 1 1 A 101 101 ILE HA H 128 4.110 4.416 -0.306 1
1 1084 . 5 1 1 A 101 101 ILE C C 128 172.590 175.152 -2.562 1
1 1085 . 5 1 1 A 101 101 ILE CA C 128 61.800 60.377 1.423 1
1 1086 . 5 1 1 A 101 101 ILE CB C 128 38.820 38.975 -0.155 1
1 1090 . 5 1 1 A 101 101 ILE N N 128 122.050 122.096 -0.046 1
1 1 . 6 1 1 A 2 2 PRO HA H 29 4.310 4.586 -0.276 1
1 8 . 6 1 1 A 2 2 PRO CA C 29 64.380 63.246 1.134 1
1 9 . 6 1 1 A 2 2 PRO CB C 29 32.300 31.615 0.685 1
1 12 . 6 1 1 A 3 3 GLU H H 30 9.010 8.762 0.248 1
1 13 . 6 1 1 A 3 3 GLU HA H 30 4.170 4.355 -0.185 1
1 18 . 6 1 1 A 3 3 GLU C C 30 173.730 175.964 -2.234 1
1 19 . 6 1 1 A 3 3 GLU CA C 30 57.560 55.921 1.639 1
1 20 . 6 1 1 A 3 3 GLU CB C 30 29.400 29.153 0.247 1
1 22 . 6 1 1 A 3 3 GLU N N 30 118.790 122.035 -3.245 1
1 23 . 6 1 1 A 4 4 ASP H H 31 7.940 7.709 0.231 1
1 24 . 6 1 1 A 4 4 ASP HA H 31 4.560 4.608 -0.048 1
1 27 . 6 1 1 A 4 4 ASP C C 31 173.600 175.404 -1.804 1
1 28 . 6 1 1 A 4 4 ASP CA C 31 54.940 53.973 0.967 1
1 29 . 6 1 1 A 4 4 ASP CB C 31 41.650 39.629 2.021 1
1 30 . 6 1 1 A 4 4 ASP N N 31 119.920 120.125 -0.205 1
1 31 . 6 1 1 A 5 5 THR H H 32 7.810 7.982 -0.172 1
1 32 . 6 1 1 A 5 5 THR HA H 32 4.160 4.887 -0.727 1
1 37 . 6 1 1 A 5 5 THR C C 32 171.630 173.499 -1.869 1
1 38 . 6 1 1 A 5 5 THR CA C 32 62.410 61.576 0.834 1
1 39 . 6 1 1 A 5 5 THR CB C 32 70.040 71.812 -1.772 1
1 41 . 6 1 1 A 5 5 THR N N 32 113.570 114.979 -1.409 1
1 42 . 6 1 1 A 6 6 LEU H H 33 8.100 8.933 -0.833 1
1 43 . 6 1 1 A 6 6 LEU HA H 33 4.490 4.732 -0.242 1
1 53 . 6 1 1 A 6 6 LEU C C 33 172.440 174.972 -2.532 1
1 54 . 6 1 1 A 6 6 LEU CA C 33 53.430 53.245 0.185 1
1 55 . 6 1 1 A 6 6 LEU CB C 33 41.900 41.362 0.538 1
1 59 . 6 1 1 A 6 6 LEU N N 33 125.790 128.917 -3.127 1
1 60 . 6 1 1 A 7 7 PRO HA H 34 4.130 4.607 -0.477 1
1 67 . 6 1 1 A 7 7 PRO CA C 34 63.660 62.858 0.802 1
1 68 . 6 1 1 A 7 7 PRO CB C 34 31.970 32.090 -0.120 1
1 71 . 6 1 1 A 8 8 PHE H H 35 7.610 8.422 -0.812 1
1 72 . 6 1 1 A 8 8 PHE HA H 35 4.580 4.811 -0.231 1
1 77 . 6 1 1 A 8 8 PHE C C 35 171.110 174.581 -3.471 1
1 78 . 6 1 1 A 8 8 PHE CA C 35 57.690 56.001 1.689 1
1 79 . 6 1 1 A 8 8 PHE CB C 35 40.850 38.687 2.163 1
1 80 . 6 1 1 A 8 8 PHE N N 35 117.670 117.216 0.454 1
1 81 . 6 1 1 A 9 9 LEU H H 36 8.310 7.604 0.706 1
1 82 . 6 1 1 A 9 9 LEU HA H 36 4.420 4.822 -0.402 1
1 92 . 6 1 1 A 9 9 LEU C C 36 171.050 174.011 -2.961 1
1 93 . 6 1 1 A 9 9 LEU CA C 36 54.770 54.419 0.351 1
1 94 . 6 1 1 A 9 9 LEU CB C 36 44.230 45.278 -1.048 1
1 98 . 6 1 1 A 9 9 LEU N N 36 125.150 121.958 3.192 1
1 99 . 6 1 1 A 10 10 LYS H H 37 8.130 9.333 -1.203 1
1 100 . 6 1 1 A 10 10 LYS HA H 37 5.110 5.167 -0.057 1
1 109 . 6 1 1 A 10 10 LYS C C 37 172.470 174.908 -2.438 1
1 110 . 6 1 1 A 10 10 LYS CA C 37 54.730 55.044 -0.314 1
1 111 . 6 1 1 A 10 10 LYS CB C 37 35.010 34.486 0.524 1
1 115 . 6 1 1 A 10 10 LYS N N 37 123.550 128.066 -4.516 1
1 116 . 6 1 1 A 11 11 CYS H H 38 9.240 8.828 0.412 1
1 117 . 6 1 1 A 11 11 CYS HA H 38 4.890 5.487 -0.597 1
1 120 . 6 1 1 A 11 11 CYS C C 38 171.750 171.790 -0.040 1
1 121 . 6 1 1 A 11 11 CYS CA C 38 51.950 54.799 -2.849 1
1 122 . 6 1 1 A 11 11 CYS CB C 38 41.360 44.967 -3.607 1
1 123 . 6 1 1 A 11 11 CYS N N 38 121.580 124.260 -2.680 1
1 124 . 6 1 1 A 12 12 TYR H H 39 8.830 8.889 -0.059 1
1 125 . 6 1 1 A 12 12 TYR HA H 39 4.780 4.803 -0.023 1
1 132 . 6 1 1 A 12 12 TYR C C 39 172.260 174.746 -2.486 1
1 133 . 6 1 1 A 12 12 TYR CA C 39 58.500 58.398 0.102 1
1 134 . 6 1 1 A 12 12 TYR CB C 39 40.900 39.442 1.458 1
1 135 . 6 1 1 A 12 12 TYR N N 39 122.390 125.821 -3.431 1
1 136 . 6 1 1 A 13 13 CYS H H 40 7.690 7.952 -0.262 1
1 137 . 6 1 1 A 13 13 CYS HA H 40 4.420 5.768 -1.348 1
1 140 . 6 1 1 A 13 13 CYS CA C 40 53.850 54.060 -0.210 1
1 141 . 6 1 1 A 13 13 CYS CB C 40 48.920 45.173 3.747 1
1 142 . 6 1 1 A 14 14 SER H H 41 7.850 8.568 -0.718 1
1 143 . 6 1 1 A 14 14 SER HA H 41 4.160 4.764 -0.604 1
1 146 . 6 1 1 A 14 14 SER CA C 41 58.450 56.656 1.794 1
1 147 . 6 1 1 A 14 14 SER CB C 41 63.840 65.250 -1.410 1
1 148 . 6 1 1 A 14 14 SER N N 41 117.020 118.600 -1.580 1
1 149 . 6 1 1 A 16 16 HIS HA H 43 4.880 4.811 0.069 1
1 152 . 6 1 1 A 16 16 HIS CA C 43 54.770 54.138 0.632 1
1 153 . 6 1 1 A 16 16 HIS CB C 43 29.490 31.413 -1.923 1
1 154 . 6 1 1 A 17 17 CYS H H 44 8.560 8.375 0.185 1
1 155 . 6 1 1 A 18 18 PRO HA H 45 4.660 4.445 0.215 1
1 160 . 6 1 1 A 18 18 PRO CA C 45 62.500 62.693 -0.193 1
1 161 . 6 1 1 A 18 18 PRO CB C 45 33.140 32.740 0.400 1
1 164 . 6 1 1 A 19 19 ASP H H 46 8.800 8.592 0.208 1
1 165 . 6 1 1 A 19 19 ASP HA H 46 4.250 4.267 -0.017 1
1 168 . 6 1 1 A 19 19 ASP C C 46 173.430 176.527 -3.097 1
1 169 . 6 1 1 A 19 19 ASP CA C 46 57.190 56.922 0.268 1
1 170 . 6 1 1 A 19 19 ASP CB C 46 40.720 40.584 0.136 1
1 171 . 6 1 1 A 19 19 ASP N N 46 120.170 121.822 -1.652 1
1 172 . 6 1 1 A 20 20 ASP H H 47 8.050 8.214 -0.164 1
1 173 . 6 1 1 A 20 20 ASP HA H 47 4.510 4.623 -0.113 1
1 176 . 6 1 1 A 20 20 ASP C C 47 173.500 176.156 -2.656 1
1 177 . 6 1 1 A 20 20 ASP CA C 47 52.840 53.015 -0.175 1
1 178 . 6 1 1 A 20 20 ASP CB C 47 39.980 39.714 0.266 1
1 179 . 6 1 1 A 20 20 ASP N N 47 114.670 114.626 0.044 1
1 180 . 6 1 1 A 21 21 ALA H H 48 7.350 7.252 0.098 1
1 181 . 6 1 1 A 21 21 ALA HA H 48 4.280 4.264 0.016 1
1 185 . 6 1 1 A 21 21 ALA C C 48 174.490 176.940 -2.450 1
1 186 . 6 1 1 A 21 21 ALA CA C 48 53.430 52.475 0.955 1
1 187 . 6 1 1 A 21 21 ALA CB C 48 20.870 19.893 0.977 1
1 188 . 6 1 1 A 21 21 ALA N N 48 122.660 122.656 0.004 1
1 189 . 6 1 1 A 22 22 ILE H H 49 7.960 8.106 -0.146 1
1 190 . 6 1 1 A 22 22 ILE HA H 49 4.240 4.574 -0.334 1
1 199 . 6 1 1 A 22 22 ILE C C 49 173.300 176.254 -2.954 1
1 200 . 6 1 1 A 22 22 ILE CA C 49 60.230 59.473 0.757 1
1 201 . 6 1 1 A 22 22 ILE CB C 49 40.280 40.263 0.017 1
1 205 . 6 1 1 A 22 22 ILE N N 49 119.550 120.146 -0.596 1
1 206 . 6 1 1 A 23 23 ASN H H 50 9.280 9.098 0.182 1
1 207 . 6 1 1 A 23 23 ASN HA H 50 4.290 4.461 -0.171 1
1 212 . 6 1 1 A 23 23 ASN CA C 50 54.660 53.877 0.783 1
1 213 . 6 1 1 A 23 23 ASN CB C 50 37.620 36.173 1.447 1
1 214 . 6 1 1 A 23 23 ASN N N 50 125.470 125.096 0.374 1
1 216 . 6 1 1 A 24 24 ASN H H 51 8.850 8.527 0.323 1
1 217 . 6 1 1 A 24 24 ASN HA H 51 4.070 4.214 -0.144 1
1 222 . 6 1 1 A 24 24 ASN C C 51 170.660 173.768 -3.108 1
1 223 . 6 1 1 A 24 24 ASN CA C 51 56.080 54.032 2.048 1
1 224 . 6 1 1 A 24 24 ASN CB C 51 37.430 37.194 0.236 1
1 226 . 6 1 1 A 25 25 THR H H 52 7.190 7.419 -0.229 1
1 227 . 6 1 1 A 25 25 THR HA H 52 5.370 5.093 0.277 1
1 232 . 6 1 1 A 25 25 THR C C 52 169.910 172.214 -2.304 1
1 233 . 6 1 1 A 25 25 THR CA C 52 59.890 59.678 0.212 1
1 234 . 6 1 1 A 25 25 THR CB C 52 73.940 72.341 1.599 1
1 236 . 6 1 1 A 25 25 THR N N 52 105.820 106.778 -0.958 1
1 237 . 6 1 1 A 26 26 CYS H H 53 8.960 8.849 0.111 1
1 238 . 6 1 1 A 26 26 CYS HA H 53 5.000 5.398 -0.398 1
1 241 . 6 1 1 A 26 26 CYS C C 53 168.780 171.387 -2.607 1
1 242 . 6 1 1 A 26 26 CYS CA C 53 52.560 53.658 -1.098 1
1 243 . 6 1 1 A 26 26 CYS CB C 53 48.650 46.486 2.164 1
1 244 . 6 1 1 A 26 26 CYS N N 53 116.070 119.006 -2.936 1
1 245 . 6 1 1 A 27 27 ILE H H 54 8.530 8.469 0.061 1
1 246 . 6 1 1 A 27 27 ILE HA H 54 5.210 4.986 0.224 1
1 256 . 6 1 1 A 27 27 ILE C C 54 173.400 174.695 -1.295 1
1 257 . 6 1 1 A 27 27 ILE CA C 54 59.200 60.205 -1.005 1
1 258 . 6 1 1 A 27 27 ILE CB C 54 40.220 40.236 -0.016 1
1 262 . 6 1 1 A 27 27 ILE N N 54 120.170 120.890 -0.720 1
1 263 . 6 1 1 A 28 28 THR H H 55 9.200 8.771 0.429 1
1 264 . 6 1 1 A 28 28 THR HA H 55 4.800 5.209 -0.409 1
1 269 . 6 1 1 A 28 28 THR C C 55 168.370 172.540 -4.170 1
1 270 . 6 1 1 A 28 28 THR CA C 55 60.060 59.625 0.435 1
1 271 . 6 1 1 A 28 28 THR CB C 55 70.490 71.359 -0.869 1
1 273 . 6 1 1 A 28 28 THR N N 55 120.750 120.321 0.429 1
1 274 . 6 1 1 A 29 29 ASN H H 56 8.000 8.464 -0.464 1
1 275 . 6 1 1 A 29 29 ASN HA H 56 4.920 4.855 0.065 1
1 280 . 6 1 1 A 29 29 ASN C C 56 172.880 175.423 -2.543 1
1 281 . 6 1 1 A 29 29 ASN CA C 56 52.620 51.423 1.197 1
1 282 . 6 1 1 A 29 29 ASN CB C 56 38.920 38.130 0.790 1
1 283 . 6 1 1 A 29 29 ASN N N 56 120.880 123.528 -2.648 1
1 285 . 6 1 1 A 30 30 GLY H H 57 8.510 7.599 0.911 1
1 286 . 6 1 1 A 30 30 GLY HA2 H 57 4.140 3.918 0.222 1
1 287 . 6 1 1 A 30 30 GLY HA3 H 57 3.960 4.072 -0.112 1
1 288 . 6 1 1 A 30 30 GLY C C 57 169.020 173.011 -3.991 1
1 289 . 6 1 1 A 30 30 GLY CA C 57 45.800 45.376 0.424 1
1 290 . 6 1 1 A 30 30 GLY N N 57 111.380 109.321 2.059 1
1 291 . 6 1 1 A 31 31 HIS H H 58 8.560 7.718 0.842 1
1 292 . 6 1 1 A 31 31 HIS HA H 58 4.710 5.302 -0.592 1
1 295 . 6 1 1 A 31 31 HIS C C 58 171.200 173.916 -2.716 1
1 296 . 6 1 1 A 31 31 HIS CA C 58 56.140 54.687 1.453 1
1 297 . 6 1 1 A 31 31 HIS CB C 58 34.650 34.186 0.464 1
1 298 . 6 1 1 A 31 31 HIS N N 58 120.870 115.106 5.764 1
1 299 . 6 1 1 A 32 32 CYS H H 59 8.710 8.390 0.320 1
1 300 . 6 1 1 A 32 32 CYS HA H 59 5.700 5.267 0.433 1
1 303 . 6 1 1 A 32 32 CYS C C 59 173.470 173.560 -0.090 1
1 304 . 6 1 1 A 32 32 CYS CA C 59 52.340 55.170 -2.830 1
1 305 . 6 1 1 A 32 32 CYS CB C 59 36.950 44.252 -7.302 1
1 306 . 6 1 1 A 32 32 CYS N N 59 117.290 119.589 -2.299 1
1 307 . 6 1 1 A 33 33 PHE H H 60 8.700 8.504 0.196 1
1 308 . 6 1 1 A 33 33 PHE HA H 60 6.110 5.716 0.394 1
1 316 . 6 1 1 A 33 33 PHE C C 60 172.200 172.908 -0.708 1
1 317 . 6 1 1 A 33 33 PHE CA C 60 56.630 55.492 1.138 1
1 318 . 6 1 1 A 33 33 PHE CB C 60 44.830 42.239 2.591 1
1 319 . 6 1 1 A 33 33 PHE N N 60 116.070 120.128 -4.058 1
1 320 . 6 1 1 A 34 34 ALA H H 61 9.200 8.573 0.627 1
1 321 . 6 1 1 A 34 34 ALA HA H 61 5.000 4.856 0.144 1
1 325 . 6 1 1 A 34 34 ALA C C 61 171.610 175.638 -4.028 1
1 326 . 6 1 1 A 34 34 ALA CA C 61 52.320 51.504 0.816 1
1 327 . 6 1 1 A 34 34 ALA CB C 61 23.950 23.250 0.700 1
1 328 . 6 1 1 A 34 34 ALA N N 61 125.170 120.981 4.189 1
1 329 . 6 1 1 A 35 35 ILE H H 62 9.470 8.616 0.854 1
1 330 . 6 1 1 A 35 35 ILE HA H 62 5.350 4.910 0.440 1
1 340 . 6 1 1 A 35 35 ILE C C 62 170.850 173.455 -2.605 1
1 341 . 6 1 1 A 35 35 ILE CA C 62 59.260 59.507 -0.247 1
1 342 . 6 1 1 A 35 35 ILE CB C 62 43.660 42.333 1.327 1
1 346 . 6 1 1 A 35 35 ILE N N 62 120.630 119.467 1.163 1
1 347 . 6 1 1 A 36 36 ILE H H 63 8.500 8.752 -0.252 1
1 348 . 6 1 1 A 36 36 ILE HA H 63 5.240 5.293 -0.053 1
1 358 . 6 1 1 A 36 36 ILE C C 63 170.510 172.983 -2.473 1
1 359 . 6 1 1 A 36 36 ILE CA C 63 59.130 59.158 -0.028 1
1 360 . 6 1 1 A 36 36 ILE CB C 63 41.670 42.404 -0.734 1
1 364 . 6 1 1 A 36 36 ILE N N 63 125.830 126.172 -0.342 1
1 365 . 6 1 1 A 37 37 GLU H H 64 8.450 8.747 -0.297 1
1 366 . 6 1 1 A 37 37 GLU HA H 64 5.010 4.986 0.024 1
1 371 . 6 1 1 A 37 37 GLU C C 64 171.410 174.435 -3.025 1
1 372 . 6 1 1 A 37 37 GLU CA C 64 54.830 54.925 -0.095 1
1 373 . 6 1 1 A 37 37 GLU CB C 64 34.320 34.117 0.203 1
1 375 . 6 1 1 A 37 37 GLU N N 64 124.570 127.008 -2.438 1
1 376 . 6 1 1 A 38 38 GLU H H 65 8.300 8.579 -0.279 1
1 377 . 6 1 1 A 38 38 GLU HA H 65 5.040 4.947 0.093 1
1 382 . 6 1 1 A 38 38 GLU C C 65 172.920 175.921 -3.001 1
1 383 . 6 1 1 A 38 38 GLU CA C 65 54.760 55.073 -0.313 1
1 384 . 6 1 1 A 38 38 GLU CB C 65 33.470 31.548 1.922 1
1 386 . 6 1 1 A 38 38 GLU N N 65 123.960 123.822 0.138 1
1 387 . 6 1 1 A 39 39 ASP H H 66 8.470 8.282 0.188 1
1 388 . 6 1 1 A 39 39 ASP HA H 66 4.750 4.891 -0.141 1
1 391 . 6 1 1 A 39 39 ASP C C 66 174.940 177.745 -2.805 1
1 392 . 6 1 1 A 39 39 ASP CA C 66 52.890 52.491 0.399 1
1 393 . 6 1 1 A 39 39 ASP CB C 66 41.990 41.418 0.572 1
1 394 . 6 1 1 A 39 39 ASP N N 66 124.870 126.977 -2.107 1
1 395 . 6 1 1 A 40 40 ASP H H 67 8.380 8.902 -0.522 1
1 396 . 6 1 1 A 40 40 ASP HA H 67 4.310 4.462 -0.152 1
1 399 . 6 1 1 A 40 40 ASP C C 67 174.210 176.969 -2.759 1
1 400 . 6 1 1 A 40 40 ASP CA C 67 56.350 56.088 0.262 1
1 401 . 6 1 1 A 40 40 ASP CB C 67 40.510 39.993 0.517 1
1 402 . 6 1 1 A 40 40 ASP N N 67 116.220 118.537 -2.317 1
1 403 . 6 1 1 A 41 41 GLN H H 68 8.200 7.785 0.415 1
1 404 . 6 1 1 A 41 41 GLN HA H 68 4.380 4.368 0.012 1
1 411 . 6 1 1 A 41 41 GLN C C 68 173.740 176.420 -2.680 1
1 412 . 6 1 1 A 41 41 GLN CA C 68 55.590 55.635 -0.045 1
1 413 . 6 1 1 A 41 41 GLN CB C 68 29.780 29.531 0.249 1
1 415 . 6 1 1 A 41 41 GLN N N 68 117.190 117.483 -0.293 1
1 417 . 6 1 1 A 42 42 GLY H H 69 8.000 8.191 -0.191 1
1 418 . 6 1 1 A 42 42 GLY HA2 H 69 3.630 3.916 -0.286 1
1 419 . 6 1 1 A 42 42 GLY HA3 H 69 4.140 3.916 0.224 1
1 420 . 6 1 1 A 42 42 GLY C C 69 171.650 174.288 -2.638 1
1 421 . 6 1 1 A 42 42 GLY CA C 69 45.730 45.707 0.023 1
1 422 . 6 1 1 A 42 42 GLY N N 69 108.130 108.779 -0.649 1
1 423 . 6 1 1 A 43 43 GLU H H 70 8.410 7.532 0.878 1
1 424 . 6 1 1 A 43 43 GLU HA H 70 4.450 4.569 -0.119 1
1 429 . 6 1 1 A 43 43 GLU C C 70 173.970 176.346 -2.376 1
1 430 . 6 1 1 A 43 43 GLU CA C 70 56.020 55.440 0.580 1
1 431 . 6 1 1 A 43 43 GLU CB C 70 30.300 31.122 -0.822 1
1 433 . 6 1 1 A 43 43 GLU N N 70 122.300 119.701 2.599 1
1 434 . 6 1 1 A 44 44 THR H H 71 8.620 8.482 0.138 1
1 435 . 6 1 1 A 44 44 THR HA H 71 5.210 5.166 0.044 1
1 440 . 6 1 1 A 44 44 THR C C 71 172.160 174.032 -1.872 1
1 441 . 6 1 1 A 44 44 THR CA C 71 61.600 60.838 0.762 1
1 442 . 6 1 1 A 44 44 THR CB C 71 71.000 70.122 0.878 1
1 444 . 6 1 1 A 44 44 THR N N 71 117.330 114.096 3.234 1
1 445 . 6 1 1 A 45 45 THR H H 72 8.760 8.670 0.090 1
1 446 . 6 1 1 A 45 45 THR HA H 72 4.500 5.058 -0.558 1
1 451 . 6 1 1 A 45 45 THR C C 72 169.600 173.686 -4.086 1
1 452 . 6 1 1 A 45 45 THR CA C 72 61.270 60.572 0.698 1
1 453 . 6 1 1 A 45 45 THR CB C 72 72.320 70.015 2.305 1
1 455 . 6 1 1 A 45 45 THR N N 72 117.840 117.646 0.194 1
1 456 . 6 1 1 A 46 46 LEU H H 73 8.400 9.189 -0.789 1
1 457 . 6 1 1 A 46 46 LEU HA H 73 5.250 5.099 0.151 1
1 464 . 6 1 1 A 46 46 LEU C C 73 173.150 175.538 -2.388 1
1 465 . 6 1 1 A 46 46 LEU CA C 73 54.300 53.917 0.383 1
1 466 . 6 1 1 A 46 46 LEU CB C 73 44.860 43.648 1.212 1
1 470 . 6 1 1 A 46 46 LEU N N 73 126.020 127.653 -1.633 1
1 471 . 6 1 1 A 47 47 ALA HA H 74 4.760 5.389 -0.629 1
1 475 . 6 1 1 A 47 47 ALA C C 74 172.740 175.389 -2.649 1
1 476 . 6 1 1 A 47 47 ALA CA C 74 51.440 51.013 0.427 1
1 477 . 6 1 1 A 47 47 ALA CB C 74 23.350 23.732 -0.382 1
1 478 . 6 1 1 A 48 48 SER H H 75 8.700 8.617 0.083 1
1 479 . 6 1 1 A 48 48 SER HA H 75 4.500 4.621 -0.121 1
1 482 . 6 1 1 A 48 48 SER C C 75 171.590 173.014 -1.424 1
1 483 . 6 1 1 A 48 48 SER CA C 75 57.740 56.386 1.354 1
1 484 . 6 1 1 A 48 48 SER CB C 75 65.700 66.071 -0.371 1
1 485 . 6 1 1 A 48 48 SER N N 75 111.400 113.974 -2.574 1
1 486 . 6 1 1 A 49 49 GLY H H 76 6.440 7.171 -0.731 1
1 487 . 6 1 1 A 49 49 GLY HA2 H 76 3.850 3.963 -0.113 1
1 488 . 6 1 1 A 49 49 GLY HA3 H 76 3.730 3.982 -0.252 1
1 489 . 6 1 1 A 49 49 GLY C C 76 167.890 171.322 -3.432 1
1 490 . 6 1 1 A 49 49 GLY CA C 76 47.420 45.909 1.511 1
1 491 . 6 1 1 A 49 49 GLY N N 76 105.480 105.791 -0.311 1
1 492 . 6 1 1 A 50 50 CYS H H 77 8.740 8.371 0.369 1
1 493 . 6 1 1 A 50 50 CYS HA H 77 4.950 5.371 -0.421 1
1 496 . 6 1 1 A 50 50 CYS C C 77 170.670 172.732 -2.062 1
1 497 . 6 1 1 A 50 50 CYS CA C 77 60.030 55.280 4.750 1
1 498 . 6 1 1 A 50 50 CYS CB C 77 46.100 43.363 2.737 1
1 499 . 6 1 1 A 50 50 CYS N N 77 118.960 120.043 -1.083 1
1 500 . 6 1 1 A 51 51 MET H H 78 9.240 9.098 0.142 1
1 501 . 6 1 1 A 51 51 MET HA H 78 4.760 4.968 -0.208 1
1 509 . 6 1 1 A 51 51 MET C C 78 171.990 176.039 -4.049 1
1 510 . 6 1 1 A 51 51 MET CA C 78 54.630 54.193 0.437 1
1 511 . 6 1 1 A 51 51 MET CB C 78 35.810 35.085 0.725 1
1 514 . 6 1 1 A 51 51 MET N N 78 122.340 125.955 -3.615 1
1 515 . 6 1 1 A 52 52 LYS H H 79 8.430 8.363 0.067 1
1 516 . 6 1 1 A 52 52 LYS HA H 79 4.160 4.234 -0.074 1
1 525 . 6 1 1 A 52 52 LYS C C 79 173.040 175.772 -2.732 1
1 526 . 6 1 1 A 52 52 LYS CA C 79 57.120 55.814 1.306 1
1 527 . 6 1 1 A 52 52 LYS CB C 79 33.720 32.630 1.090 1
1 531 . 6 1 1 A 52 52 LYS N N 79 125.030 123.769 1.261 1
1 532 . 6 1 1 A 53 53 TYR H H 80 8.400 8.539 -0.139 1
1 533 . 6 1 1 A 53 53 TYR HA H 80 4.200 4.690 -0.490 1
1 536 . 6 1 1 A 53 53 TYR C C 80 173.370 175.437 -2.067 1
1 537 . 6 1 1 A 53 53 TYR CA C 80 59.910 57.923 1.987 1
1 538 . 6 1 1 A 53 53 TYR CB C 80 39.000 39.397 -0.397 1
1 539 . 6 1 1 A 53 53 TYR N N 80 121.420 120.476 0.944 1
1 540 . 6 1 1 A 54 54 GLU H H 81 8.490 9.279 -0.789 1
1 541 . 6 1 1 A 54 54 GLU HA H 81 4.170 4.699 -0.529 1
1 545 . 6 1 1 A 54 54 GLU C C 81 173.240 176.894 -3.654 1
1 546 . 6 1 1 A 54 54 GLU CA C 81 56.440 56.865 -0.425 1
1 547 . 6 1 1 A 54 54 GLU CB C 81 30.860 32.443 -1.583 1
1 549 . 6 1 1 A 54 54 GLU N N 81 123.790 120.270 3.520 1
1 550 . 6 1 1 A 55 55 GLY H H 82 7.200 7.952 -0.752 1
1 551 . 6 1 1 A 55 55 GLY HA2 H 82 4.050 4.067 -0.017 1
1 552 . 6 1 1 A 55 55 GLY HA3 H 82 3.690 4.103 -0.413 1
1 553 . 6 1 1 A 55 55 GLY C C 82 171.520 174.855 -3.335 1
1 554 . 6 1 1 A 55 55 GLY CA C 82 45.680 45.458 0.222 1
1 555 . 6 1 1 A 55 55 GLY N N 82 108.400 107.955 0.445 1
1 556 . 6 1 1 A 56 56 SER H H 83 8.140 7.981 0.159 1
1 557 . 6 1 1 A 56 56 SER HA H 83 4.280 4.304 -0.024 1
1 560 . 6 1 1 A 56 56 SER C C 83 171.900 173.632 -1.732 1
1 561 . 6 1 1 A 56 56 SER CA C 83 59.270 59.610 -0.340 1
1 562 . 6 1 1 A 56 56 SER CB C 83 63.960 63.300 0.660 1
1 563 . 6 1 1 A 56 56 SER N N 83 114.650 116.708 -2.058 1
1 564 . 6 1 1 A 57 57 ASP H H 84 8.340 8.907 -0.567 1
1 565 . 6 1 1 A 57 57 ASP HA H 84 4.430 4.984 -0.554 1
1 568 . 6 1 1 A 57 57 ASP C C 84 173.100 177.008 -3.908 1
1 569 . 6 1 1 A 57 57 ASP CA C 84 54.950 56.938 -1.988 1
1 570 . 6 1 1 A 57 57 ASP CB C 84 40.840 42.684 -1.844 1
1 571 . 6 1 1 A 57 57 ASP N N 84 121.230 127.362 -6.132 1
1 572 . 6 1 1 A 58 58 PHE H H 85 7.730 7.756 -0.026 1
1 573 . 6 1 1 A 58 58 PHE HA H 85 4.260 4.793 -0.533 1
1 581 . 6 1 1 A 58 58 PHE C C 85 172.590 174.194 -1.604 1
1 582 . 6 1 1 A 58 58 PHE CA C 85 58.520 55.248 3.272 1
1 583 . 6 1 1 A 58 58 PHE CB C 85 39.840 38.806 1.034 1
1 584 . 6 1 1 A 58 58 PHE N N 85 118.920 113.913 5.007 1
1 585 . 6 1 1 A 59 59 GLN H H 86 7.790 8.208 -0.418 1
1 586 . 6 1 1 A 59 59 GLN HA H 86 4.070 4.775 -0.705 1
1 593 . 6 1 1 A 59 59 GLN C C 86 172.550 174.919 -2.369 1
1 594 . 6 1 1 A 59 59 GLN CA C 86 56.000 54.679 1.321 1
1 595 . 6 1 1 A 59 59 GLN CB C 86 30.600 30.242 0.358 1
1 597 . 6 1 1 A 59 59 GLN N N 86 120.280 121.725 -1.445 1
1 599 . 6 1 1 A 60 60 CYS H H 87 8.100 8.963 -0.863 1
1 600 . 6 1 1 A 60 60 CYS HA H 87 4.140 4.943 -0.803 1
1 603 . 6 1 1 A 60 60 CYS C C 87 170.910 173.090 -2.180 1
1 604 . 6 1 1 A 60 60 CYS CA C 87 56.810 55.447 1.363 1
1 605 . 6 1 1 A 60 60 CYS CB C 87 40.780 43.701 -2.921 1
1 606 . 6 1 1 A 60 60 CYS N N 87 118.790 124.537 -5.747 1
1 607 . 6 1 1 A 61 61 LYS H H 88 7.610 7.807 -0.197 1
1 608 . 6 1 1 A 61 61 LYS HA H 88 4.280 4.430 -0.150 1
1 617 . 6 1 1 A 61 61 LYS C C 88 172.330 175.315 -2.985 1
1 618 . 6 1 1 A 61 61 LYS CA C 88 56.210 55.861 0.349 1
1 619 . 6 1 1 A 61 61 LYS CB C 88 34.210 34.301 -0.091 1
1 623 . 6 1 1 A 61 61 LYS N N 88 120.330 119.865 0.465 1
1 624 . 6 1 1 A 62 62 ASP H H 89 8.180 8.920 -0.740 1
1 625 . 6 1 1 A 62 62 ASP HA H 89 4.500 5.375 -0.875 1
1 628 . 6 1 1 A 62 62 ASP C C 89 172.970 174.491 -1.521 1
1 629 . 6 1 1 A 62 62 ASP CA C 89 54.200 52.065 2.135 1
1 630 . 6 1 1 A 62 62 ASP CB C 89 42.090 44.775 -2.685 1
1 631 . 6 1 1 A 62 62 ASP N N 89 121.190 118.409 2.781 1
1 632 . 6 1 1 A 63 63 SER H H 90 8.190 8.832 -0.642 1
1 633 . 6 1 1 A 63 63 SER HA H 90 4.640 4.726 -0.086 1
1 636 . 6 1 1 A 63 63 SER C C 90 170.240 174.186 -3.946 1
1 637 . 6 1 1 A 63 63 SER CA C 90 56.600 57.224 -0.624 1
1 638 . 6 1 1 A 63 63 SER CB C 90 63.770 62.666 1.104 1
1 639 . 6 1 1 A 63 63 SER N N 90 116.710 119.290 -2.580 1
1 640 . 6 1 1 A 64 64 PRO HA H 91 4.350 4.598 -0.248 1
1 647 . 6 1 1 A 64 64 PRO CA C 91 63.800 62.762 1.038 1
1 648 . 6 1 1 A 64 64 PRO CB C 91 32.410 29.591 2.819 1
1 651 . 6 1 1 A 65 65 LYS H H 92 8.240 7.647 0.593 1
1 652 . 6 1 1 A 65 65 LYS HA H 92 4.210 4.640 -0.430 1
1 661 . 6 1 1 A 65 65 LYS C C 92 173.330 174.770 -1.440 1
1 662 . 6 1 1 A 65 65 LYS CA C 92 56.410 55.314 1.096 1
1 663 . 6 1 1 A 65 65 LYS CB C 92 33.230 33.034 0.196 1
1 667 . 6 1 1 A 65 65 LYS N N 92 120.180 121.135 -0.955 1
1 668 . 6 1 1 A 66 66 ALA H H 93 8.040 7.527 0.513 1
1 669 . 6 1 1 A 66 66 ALA HA H 93 4.210 4.704 -0.494 1
1 673 . 6 1 1 A 66 66 ALA C C 93 174.580 175.666 -1.086 1
1 674 . 6 1 1 A 66 66 ALA CA C 93 53.020 50.960 2.060 1
1 675 . 6 1 1 A 66 66 ALA CB C 93 19.760 21.970 -2.210 1
1 676 . 6 1 1 A 66 66 ALA N N 93 124.050 121.605 2.445 1
1 677 . 6 1 1 A 67 67 GLN H H 94 8.320 8.548 -0.228 1
1 678 . 6 1 1 A 67 67 GLN HA H 94 4.190 4.284 -0.094 1
1 685 . 6 1 1 A 67 67 GLN C C 94 172.780 175.368 -2.588 1
1 686 . 6 1 1 A 67 67 GLN CA C 94 56.750 54.663 2.087 1
1 687 . 6 1 1 A 67 67 GLN CB C 94 29.100 30.004 -0.904 1
1 689 . 6 1 1 A 67 67 GLN N N 94 117.930 118.154 -0.224 1
1 691 . 6 1 1 A 68 68 LEU H H 95 7.730 8.090 -0.360 1
1 692 . 6 1 1 A 68 68 LEU HA H 95 4.360 4.363 -0.003 1
1 702 . 6 1 1 A 68 68 LEU C C 95 174.270 177.185 -2.915 1
1 703 . 6 1 1 A 68 68 LEU CA C 95 54.970 55.275 -0.305 1
1 704 . 6 1 1 A 68 68 LEU CB C 95 43.120 43.228 -0.108 1
1 708 . 6 1 1 A 68 68 LEU N N 95 120.470 123.612 -3.142 1
1 709 . 6 1 1 A 69 69 ARG H H 96 8.600 8.681 -0.081 1
1 710 . 6 1 1 A 69 69 ARG HA H 96 4.230 4.455 -0.225 1
1 718 . 6 1 1 A 69 69 ARG C C 96 171.700 176.303 -4.603 1
1 719 . 6 1 1 A 69 69 ARG CA C 96 56.570 56.967 -0.397 1
1 720 . 6 1 1 A 69 69 ARG CB C 96 30.660 31.151 -0.491 1
1 723 . 6 1 1 A 69 69 ARG N N 96 121.670 123.345 -1.675 1
1 725 . 6 1 1 A 70 70 ARG H H 97 7.800 8.765 -0.965 1
1 726 . 6 1 1 A 70 70 ARG HA H 97 5.170 5.146 0.024 1
1 734 . 6 1 1 A 70 70 ARG C C 97 172.120 173.385 -1.265 1
1 735 . 6 1 1 A 70 70 ARG CA C 97 55.260 54.689 0.571 1
1 736 . 6 1 1 A 70 70 ARG CB C 97 34.040 34.134 -0.094 1
1 739 . 6 1 1 A 70 70 ARG N N 97 120.130 119.966 0.164 1
1 741 . 6 1 1 A 71 71 THR H H 98 8.610 8.227 0.383 1
1 742 . 6 1 1 A 71 71 THR HA H 98 4.600 5.226 -0.626 1
1 747 . 6 1 1 A 71 71 THR C C 98 169.250 173.505 -4.255 1
1 748 . 6 1 1 A 71 71 THR CA C 98 62.030 61.580 0.450 1
1 749 . 6 1 1 A 71 71 THR CB C 98 71.970 72.175 -0.205 1
1 751 . 6 1 1 A 71 71 THR N N 98 118.550 114.372 4.178 1
1 752 . 6 1 1 A 72 72 ILE H H 99 8.520 8.653 -0.133 1
1 753 . 6 1 1 A 72 72 ILE HA H 99 5.080 5.054 0.026 1
1 763 . 6 1 1 A 72 72 ILE C C 99 170.930 173.034 -2.104 1
1 764 . 6 1 1 A 72 72 ILE CA C 99 59.370 59.439 -0.069 1
1 765 . 6 1 1 A 72 72 ILE CB C 99 42.140 42.346 -0.206 1
1 769 . 6 1 1 A 72 72 ILE N N 99 125.230 122.763 2.467 1
1 770 . 6 1 1 A 73 73 GLU H H 100 8.860 8.702 0.158 1
1 771 . 6 1 1 A 73 73 GLU HA H 100 4.670 5.001 -0.331 1
1 776 . 6 1 1 A 73 73 GLU C C 100 172.200 174.792 -2.592 1
1 777 . 6 1 1 A 73 73 GLU CA C 100 55.840 55.279 0.561 1
1 778 . 6 1 1 A 73 73 GLU CB C 100 34.410 34.253 0.157 1
1 780 . 6 1 1 A 73 73 GLU N N 100 125.680 125.925 -0.245 1
1 781 . 6 1 1 A 74 74 CYS H H 101 8.830 9.104 -0.274 1
1 782 . 6 1 1 A 74 74 CYS HA H 101 5.790 5.592 0.198 1
1 785 . 6 1 1 A 74 74 CYS C C 101 170.360 172.264 -1.904 1
1 786 . 6 1 1 A 74 74 CYS CA C 101 55.010 54.023 0.987 1
1 787 . 6 1 1 A 74 74 CYS CB C 101 45.320 46.770 -1.450 1
1 788 . 6 1 1 A 74 74 CYS N N 101 119.260 117.190 2.070 1
1 789 . 6 1 1 A 75 75 CYS H H 102 9.130 8.680 0.450 1
1 790 . 6 1 1 A 75 75 CYS HA H 102 5.000 5.246 -0.246 1
1 793 . 6 1 1 A 75 75 CYS C C 102 170.670 171.880 -1.210 1
1 794 . 6 1 1 A 75 75 CYS CA C 102 56.180 55.116 1.064 1
1 795 . 6 1 1 A 75 75 CYS CB C 102 46.090 46.321 -0.231 1
1 796 . 6 1 1 A 75 75 CYS N N 102 116.460 117.846 -1.386 1
1 797 . 6 1 1 A 76 76 ARG H H 103 9.240 9.066 0.174 1
1 798 . 6 1 1 A 76 76 ARG HA H 103 4.800 4.694 0.106 1
1 806 . 6 1 1 A 76 76 ARG C C 103 172.120 174.702 -2.582 1
1 807 . 6 1 1 A 76 76 ARG CA C 103 56.230 55.175 1.055 1
1 808 . 6 1 1 A 76 76 ARG CB C 103 32.610 29.777 2.833 1
1 811 . 6 1 1 A 76 76 ARG N N 103 122.520 124.950 -2.430 1
1 813 . 6 1 1 A 77 77 THR H H 104 7.440 7.759 -0.319 1
1 814 . 6 1 1 A 77 77 THR HA H 104 4.600 5.095 -0.495 1
1 819 . 6 1 1 A 77 77 THR C C 104 171.890 173.290 -1.400 1
1 820 . 6 1 1 A 77 77 THR CA C 104 61.270 59.721 1.549 1
1 821 . 6 1 1 A 77 77 THR CB C 104 72.490 72.183 0.307 1
1 823 . 6 1 1 A 77 77 THR N N 104 109.730 112.072 -2.342 1
1 824 . 6 1 1 A 78 78 ASN H H 105 8.590 8.657 -0.067 1
1 825 . 6 1 1 A 78 78 ASN HA H 105 4.790 4.672 0.118 1
1 830 . 6 1 1 A 78 78 ASN C C 105 174.150 175.287 -1.137 1
1 831 . 6 1 1 A 78 78 ASN CA C 105 55.870 54.074 1.796 1
1 832 . 6 1 1 A 78 78 ASN CB C 105 39.260 38.242 1.018 1
1 833 . 6 1 1 A 78 78 ASN N N 105 119.360 119.582 -0.222 1
1 835 . 6 1 1 A 79 79 LEU H H 106 9.980 8.787 1.193 1
1 836 . 6 1 1 A 79 79 LEU HA H 106 3.680 3.923 -0.243 1
1 846 . 6 1 1 A 79 79 LEU C C 106 175.050 177.518 -2.468 1
1 847 . 6 1 1 A 79 79 LEU CA C 106 56.790 56.084 0.706 1
1 848 . 6 1 1 A 79 79 LEU CB C 106 38.920 39.332 -0.412 1
1 852 . 6 1 1 A 79 79 LEU N N 106 118.230 117.720 0.510 1
1 853 . 6 1 1 A 80 80 CYS H H 107 8.250 8.009 0.241 1
1 854 . 6 1 1 A 80 80 CYS HA H 107 4.320 4.380 -0.060 1
1 857 . 6 1 1 A 80 80 CYS C C 107 172.470 175.795 -3.325 1
1 858 . 6 1 1 A 80 80 CYS CA C 107 58.370 58.861 -0.491 1
1 859 . 6 1 1 A 80 80 CYS CB C 107 46.090 42.175 3.915 1
1 860 . 6 1 1 A 80 80 CYS N N 107 115.460 116.652 -1.192 1
1 861 . 6 1 1 A 81 81 ASN H H 108 8.590 8.209 0.381 1
1 862 . 6 1 1 A 81 81 ASN HA H 108 4.430 4.571 -0.141 1
1 867 . 6 1 1 A 81 81 ASN C C 108 172.210 177.781 -5.571 1
1 868 . 6 1 1 A 81 81 ASN CA C 108 53.320 55.755 -2.435 1
1 869 . 6 1 1 A 81 81 ASN CB C 108 37.290 37.733 -0.443 1
1 870 . 6 1 1 A 81 81 ASN N N 108 118.040 120.518 -2.478 1
1 872 . 6 1 1 A 82 82 GLN H H 109 7.490 7.881 -0.391 1
1 873 . 6 1 1 A 82 82 GLN HA H 109 3.380 3.677 -0.297 1
1 880 . 6 1 1 A 82 82 GLN C C 109 172.300 177.025 -4.725 1
1 881 . 6 1 1 A 82 82 GLN CA C 109 58.940 58.212 0.728 1
1 882 . 6 1 1 A 82 82 GLN CB C 109 28.770 27.800 0.970 1
1 884 . 6 1 1 A 82 82 GLN N N 109 121.350 120.506 0.844 1
1 886 . 6 1 1 A 83 83 TYR H H 110 7.830 7.713 0.117 1
1 887 . 6 1 1 A 83 83 TYR HA H 110 4.590 4.685 -0.095 1
1 892 . 6 1 1 A 83 83 TYR CA C 110 56.490 57.382 -0.892 1
1 893 . 6 1 1 A 83 83 TYR CB C 110 38.400 38.145 0.255 1
1 894 . 6 1 1 A 83 83 TYR N N 110 114.600 116.464 -1.864 1
1 895 . 6 1 1 A 84 84 LEU H H 111 6.610 7.182 -0.572 1
1 896 . 6 1 1 A 84 84 LEU HA H 111 4.170 5.004 -0.834 1
1 905 . 6 1 1 A 84 84 LEU C C 111 172.880 174.715 -1.835 1
1 906 . 6 1 1 A 84 84 LEU CA C 111 55.250 53.527 1.723 1
1 907 . 6 1 1 A 84 84 LEU CB C 111 43.400 44.790 -1.390 1
1 911 . 6 1 1 A 84 84 LEU N N 111 120.140 122.079 -1.939 1
1 912 . 6 1 1 A 85 85 GLN H H 112 8.780 8.993 -0.213 1
1 913 . 6 1 1 A 85 85 GLN HA H 112 4.570 4.893 -0.323 1
1 920 . 6 1 1 A 85 85 GLN C C 112 169.480 174.303 -4.823 1
1 921 . 6 1 1 A 85 85 GLN CA C 112 53.110 52.678 0.432 1
1 922 . 6 1 1 A 85 85 GLN CB C 112 30.000 30.424 -0.424 1
1 924 . 6 1 1 A 85 85 GLN N N 112 122.790 127.598 -4.808 1
1 926 . 6 1 1 A 86 86 PRO HA H 113 4.400 5.123 -0.723 1
1 931 . 6 1 1 A 86 86 PRO CA C 113 63.040 62.785 0.255 1
1 932 . 6 1 1 A 86 86 PRO CB C 113 32.400 31.965 0.435 1
1 935 . 6 1 1 A 87 87 THR H H 114 8.180 8.579 -0.399 1
1 936 . 6 1 1 A 87 87 THR HA H 114 4.400 5.045 -0.645 1
1 941 . 6 1 1 A 87 87 THR C C 114 172.180 173.491 -1.311 1
1 942 . 6 1 1 A 87 87 THR CA C 114 60.960 59.740 1.220 1
1 943 . 6 1 1 A 87 87 THR CB C 114 71.290 72.122 -0.832 1
1 945 . 6 1 1 A 87 87 THR N N 114 111.930 112.482 -0.552 1
1 946 . 6 1 1 A 88 88 LEU H H 115 8.580 8.636 -0.056 1
1 947 . 6 1 1 A 88 88 LEU HA H 115 4.300 4.780 -0.480 1
1 956 . 6 1 1 A 88 88 LEU C C 115 171.740 174.694 -2.954 1
1 957 . 6 1 1 A 88 88 LEU CA C 115 53.230 53.728 -0.498 1
1 958 . 6 1 1 A 88 88 LEU CB C 115 41.900 41.043 0.857 1
1 962 . 6 1 1 A 88 88 LEU N N 115 125.290 124.586 0.704 1
1 963 . 6 1 1 A 89 89 PRO HA H 116 4.630 4.688 -0.058 1
1 970 . 6 1 1 A 89 89 PRO CA C 116 61.580 61.620 -0.040 1
1 971 . 6 1 1 A 89 89 PRO CB C 116 30.980 31.529 -0.549 1
1 974 . 6 1 1 A 90 90 PRO HA H 117 4.350 4.614 -0.264 1
1 977 . 6 1 1 A 90 90 PRO CA C 117 63.010 62.856 0.154 1
1 978 . 6 1 1 A 90 90 PRO CB C 117 32.300 32.892 -0.592 1
1 981 . 6 1 1 A 91 91 VAL H H 118 8.190 8.442 -0.252 1
1 982 . 6 1 1 A 91 91 VAL HA H 118 3.900 4.604 -0.704 1
1 990 . 6 1 1 A 91 91 VAL C C 118 173.270 174.338 -1.068 1
1 991 . 6 1 1 A 91 91 VAL CA C 118 62.890 60.142 2.748 1
1 992 . 6 1 1 A 91 91 VAL CB C 118 32.980 35.827 -2.847 1
1 994 . 6 1 1 A 91 91 VAL N N 118 120.460 119.217 1.243 1
1 995 . 6 1 1 A 92 92 VAL H H 119 8.180 8.692 -0.512 1
1 996 . 6 1 1 A 92 92 VAL HA H 119 4.040 4.393 -0.353 1
1 1004 . 6 1 1 A 92 92 VAL C C 119 172.960 175.294 -2.334 1
1 1005 . 6 1 1 A 92 92 VAL CA C 119 62.250 62.169 0.081 1
1 1006 . 6 1 1 A 92 92 VAL CB C 119 33.280 32.510 0.770 1
1 1008 . 6 1 1 A 92 92 VAL N N 119 125.030 123.689 1.341 1
1 1009 . 6 1 1 A 93 93 ILE H H 120 8.220 8.783 -0.563 1
1 1010 . 6 1 1 A 93 93 ILE HA H 120 4.110 4.537 -0.427 1
1 1015 . 6 1 1 A 93 93 ILE C C 120 173.440 175.840 -2.400 1
1 1016 . 6 1 1 A 93 93 ILE CA C 120 61.050 60.047 1.003 1
1 1017 . 6 1 1 A 93 93 ILE CB C 120 39.030 37.918 1.112 1
1 1021 . 6 1 1 A 93 93 ILE N N 120 125.690 128.997 -3.307 1
1 1022 . 6 1 1 A 94 94 GLY H H 121 8.190 9.027 -0.837 1
1 1023 . 6 1 1 A 94 94 GLY HA2 H 121 4.050 4.160 -0.110 1
1 1024 . 6 1 1 A 94 94 GLY HA3 H 121 3.940 4.164 -0.224 1
1 1025 . 6 1 1 A 94 94 GLY C C 121 169.080 173.279 -4.199 1
1 1026 . 6 1 1 A 94 94 GLY CA C 121 44.850 43.922 0.928 1
1 1027 . 6 1 1 A 94 94 GLY N N 121 113.150 116.664 -3.514 1
1 1028 . 6 1 1 A 95 95 PRO HA H 122 4.270 4.414 -0.144 1
1 1032 . 6 1 1 A 95 95 PRO CA C 122 63.340 62.957 0.383 1
1 1033 . 6 1 1 A 95 95 PRO CB C 122 32.160 31.837 0.323 1
1 1036 . 6 1 1 A 96 96 PHE H H 123 8.140 7.988 0.152 1
1 1037 . 6 1 1 A 96 96 PHE HA H 123 4.510 4.644 -0.134 1
1 1040 . 6 1 1 A 96 96 PHE C C 123 172.700 175.544 -2.844 1
1 1041 . 6 1 1 A 96 96 PHE CA C 123 58.040 56.064 1.976 1
1 1042 . 6 1 1 A 96 96 PHE CB C 123 39.710 40.098 -0.388 1
1 1043 . 6 1 1 A 96 96 PHE N N 123 119.410 118.160 1.250 1
1 1044 . 6 1 1 A 97 97 PHE H H 124 8.000 9.281 -1.281 1
1 1045 . 6 1 1 A 97 97 PHE HA H 124 4.490 4.679 -0.189 1
1 1048 . 6 1 1 A 97 97 PHE C C 124 172.140 176.235 -4.095 1
1 1049 . 6 1 1 A 97 97 PHE CA C 124 58.000 58.741 -0.741 1
1 1050 . 6 1 1 A 97 97 PHE CB C 124 40.140 39.806 0.334 1
1 1051 . 6 1 1 A 97 97 PHE N N 124 122.180 122.026 0.154 1
1 1052 . 6 1 1 A 98 98 ASP H H 125 8.100 8.933 -0.833 1
1 1053 . 6 1 1 A 98 98 ASP HA H 125 4.400 4.922 -0.522 1
1 1056 . 6 1 1 A 98 98 ASP C C 125 173.870 176.106 -2.236 1
1 1057 . 6 1 1 A 98 98 ASP CA C 125 54.470 53.591 0.879 1
1 1058 . 6 1 1 A 98 98 ASP CB C 125 41.390 39.791 1.599 1
1 1059 . 6 1 1 A 98 98 ASP N N 125 123.000 121.572 1.428 1
1 1060 . 6 1 1 A 99 99 GLY H H 126 8.010 8.327 -0.317 1
1 1061 . 6 1 1 A 99 99 GLY HA3 H 126 3.860 4.168 -0.308 1
1 1062 . 6 1 1 A 99 99 GLY C C 126 171.640 173.272 -1.632 1
1 1063 . 6 1 1 A 99 99 GLY CA C 126 45.860 44.019 1.841 1
1 1064 . 6 1 1 A 99 99 GLY N N 126 109.280 109.524 -0.244 1
1 1065 . 6 1 1 A 100 100 SER H H 127 8.110 8.515 -0.405 1
1 1066 . 6 1 1 A 100 100 SER HA H 127 4.320 4.649 -0.329 1
1 1069 . 6 1 1 A 100 100 SER C C 127 171.520 174.130 -2.610 1
1 1070 . 6 1 1 A 100 100 SER CA C 127 59.190 57.876 1.314 1
1 1071 . 6 1 1 A 100 100 SER CB C 127 64.240 65.104 -0.864 1
1 1072 . 6 1 1 A 100 100 SER N N 127 115.760 112.559 3.201 1
1 1073 . 6 1 1 A 101 101 ILE H H 128 7.960 8.505 -0.545 1
1 1074 . 6 1 1 A 101 101 ILE HA H 128 4.110 4.406 -0.296 1
1 1084 . 6 1 1 A 101 101 ILE C C 128 172.590 175.147 -2.557 1
1 1085 . 6 1 1 A 101 101 ILE CA C 128 61.800 60.410 1.390 1
1 1086 . 6 1 1 A 101 101 ILE CB C 128 38.820 38.790 0.030 1
1 1090 . 6 1 1 A 101 101 ILE N N 128 122.050 121.513 0.537 1
1 1 . 7 1 1 A 2 2 PRO HA H 29 4.310 4.533 -0.223 1
1 8 . 7 1 1 A 2 2 PRO CA C 29 64.380 63.187 1.193 1
1 9 . 7 1 1 A 2 2 PRO CB C 29 32.300 31.903 0.397 1
1 12 . 7 1 1 A 3 3 GLU H H 30 9.010 8.778 0.232 1
1 13 . 7 1 1 A 3 3 GLU HA H 30 4.170 4.785 -0.615 1
1 18 . 7 1 1 A 3 3 GLU C C 30 173.730 174.903 -1.173 1
1 19 . 7 1 1 A 3 3 GLU CA C 30 57.560 55.318 2.242 1
1 20 . 7 1 1 A 3 3 GLU CB C 30 29.400 30.512 -1.112 1
1 22 . 7 1 1 A 3 3 GLU N N 30 118.790 124.005 -5.215 1
1 23 . 7 1 1 A 4 4 ASP H H 31 7.940 8.573 -0.633 1
1 24 . 7 1 1 A 4 4 ASP HA H 31 4.560 4.857 -0.297 1
1 27 . 7 1 1 A 4 4 ASP C C 31 173.600 174.726 -1.126 1
1 28 . 7 1 1 A 4 4 ASP CA C 31 54.940 53.903 1.037 1
1 29 . 7 1 1 A 4 4 ASP CB C 31 41.650 39.141 2.509 1
1 30 . 7 1 1 A 4 4 ASP N N 31 119.920 124.578 -4.658 1
1 31 . 7 1 1 A 5 5 THR H H 32 7.810 7.908 -0.098 1
1 32 . 7 1 1 A 5 5 THR HA H 32 4.160 4.722 -0.562 1
1 37 . 7 1 1 A 5 5 THR C C 32 171.630 172.855 -1.225 1
1 38 . 7 1 1 A 5 5 THR CA C 32 62.410 61.405 1.005 1
1 39 . 7 1 1 A 5 5 THR CB C 32 70.040 71.921 -1.881 1
1 41 . 7 1 1 A 5 5 THR N N 32 113.570 118.459 -4.889 1
1 42 . 7 1 1 A 6 6 LEU H H 33 8.100 8.750 -0.650 1
1 43 . 7 1 1 A 6 6 LEU HA H 33 4.490 4.779 -0.289 1
1 53 . 7 1 1 A 6 6 LEU C C 33 172.440 175.464 -3.024 1
1 54 . 7 1 1 A 6 6 LEU CA C 33 53.430 52.213 1.217 1
1 55 . 7 1 1 A 6 6 LEU CB C 33 41.900 42.231 -0.331 1
1 59 . 7 1 1 A 6 6 LEU N N 33 125.790 128.381 -2.591 1
1 60 . 7 1 1 A 7 7 PRO HA H 34 4.130 4.726 -0.596 1
1 67 . 7 1 1 A 7 7 PRO CA C 34 63.660 62.914 0.746 1
1 68 . 7 1 1 A 7 7 PRO CB C 34 31.970 32.534 -0.564 1
1 71 . 7 1 1 A 8 8 PHE H H 35 7.610 8.687 -1.077 1
1 72 . 7 1 1 A 8 8 PHE HA H 35 4.580 4.809 -0.229 1
1 77 . 7 1 1 A 8 8 PHE C C 35 171.110 174.668 -3.558 1
1 78 . 7 1 1 A 8 8 PHE CA C 35 57.690 56.156 1.534 1
1 79 . 7 1 1 A 8 8 PHE CB C 35 40.850 38.794 2.056 1
1 80 . 7 1 1 A 8 8 PHE N N 35 117.670 116.890 0.780 1
1 81 . 7 1 1 A 9 9 LEU H H 36 8.310 7.442 0.868 1
1 82 . 7 1 1 A 9 9 LEU HA H 36 4.420 4.643 -0.223 1
1 92 . 7 1 1 A 9 9 LEU C C 36 171.050 173.930 -2.880 1
1 93 . 7 1 1 A 9 9 LEU CA C 36 54.770 54.374 0.396 1
1 94 . 7 1 1 A 9 9 LEU CB C 36 44.230 45.181 -0.951 1
1 98 . 7 1 1 A 9 9 LEU N N 36 125.150 121.361 3.789 1
1 99 . 7 1 1 A 10 10 LYS H H 37 8.130 9.293 -1.163 1
1 100 . 7 1 1 A 10 10 LYS HA H 37 5.110 5.166 -0.056 1
1 109 . 7 1 1 A 10 10 LYS C C 37 172.470 174.897 -2.427 1
1 110 . 7 1 1 A 10 10 LYS CA C 37 54.730 55.031 -0.301 1
1 111 . 7 1 1 A 10 10 LYS CB C 37 35.010 34.465 0.545 1
1 115 . 7 1 1 A 10 10 LYS N N 37 123.550 128.028 -4.478 1
1 116 . 7 1 1 A 11 11 CYS H H 38 9.240 8.816 0.424 1
1 117 . 7 1 1 A 11 11 CYS HA H 38 4.890 5.427 -0.537 1
1 120 . 7 1 1 A 11 11 CYS C C 38 171.750 171.992 -0.242 1
1 121 . 7 1 1 A 11 11 CYS CA C 38 51.950 54.772 -2.822 1
1 122 . 7 1 1 A 11 11 CYS CB C 38 41.360 45.136 -3.776 1
1 123 . 7 1 1 A 11 11 CYS N N 38 121.580 124.011 -2.431 1
1 124 . 7 1 1 A 12 12 TYR H H 39 8.830 8.945 -0.115 1
1 125 . 7 1 1 A 12 12 TYR HA H 39 4.780 4.717 0.063 1
1 132 . 7 1 1 A 12 12 TYR C C 39 172.260 174.731 -2.471 1
1 133 . 7 1 1 A 12 12 TYR CA C 39 58.500 58.638 -0.138 1
1 134 . 7 1 1 A 12 12 TYR CB C 39 40.900 39.389 1.511 1
1 135 . 7 1 1 A 12 12 TYR N N 39 122.390 125.565 -3.175 1
1 136 . 7 1 1 A 13 13 CYS H H 40 7.690 7.975 -0.285 1
1 137 . 7 1 1 A 13 13 CYS HA H 40 4.420 5.742 -1.322 1
1 140 . 7 1 1 A 13 13 CYS CA C 40 53.850 54.036 -0.186 1
1 141 . 7 1 1 A 13 13 CYS CB C 40 48.920 44.977 3.943 1
1 142 . 7 1 1 A 14 14 SER H H 41 7.850 8.850 -1.000 1
1 143 . 7 1 1 A 14 14 SER HA H 41 4.160 4.954 -0.794 1
1 146 . 7 1 1 A 14 14 SER CA C 41 58.450 57.312 1.138 1
1 147 . 7 1 1 A 14 14 SER CB C 41 63.840 66.414 -2.574 1
1 148 . 7 1 1 A 14 14 SER N N 41 117.020 119.380 -2.360 1
1 149 . 7 1 1 A 16 16 HIS HA H 43 4.880 4.792 0.088 1
1 152 . 7 1 1 A 16 16 HIS CA C 43 54.770 55.172 -0.402 1
1 153 . 7 1 1 A 16 16 HIS CB C 43 29.490 31.292 -1.802 1
1 154 . 7 1 1 A 17 17 CYS H H 44 8.560 8.657 -0.097 1
1 155 . 7 1 1 A 18 18 PRO HA H 45 4.660 4.587 0.073 1
1 160 . 7 1 1 A 18 18 PRO CA C 45 62.500 62.804 -0.304 1
1 161 . 7 1 1 A 18 18 PRO CB C 45 33.140 32.798 0.342 1
1 164 . 7 1 1 A 19 19 ASP H H 46 8.800 8.650 0.150 1
1 165 . 7 1 1 A 19 19 ASP HA H 46 4.250 4.311 -0.061 1
1 168 . 7 1 1 A 19 19 ASP C C 46 173.430 176.525 -3.095 1
1 169 . 7 1 1 A 19 19 ASP CA C 46 57.190 56.948 0.242 1
1 170 . 7 1 1 A 19 19 ASP CB C 46 40.720 40.612 0.108 1
1 171 . 7 1 1 A 19 19 ASP N N 46 120.170 121.906 -1.736 1
1 172 . 7 1 1 A 20 20 ASP H H 47 8.050 8.265 -0.215 1
1 173 . 7 1 1 A 20 20 ASP HA H 47 4.510 4.643 -0.133 1
1 176 . 7 1 1 A 20 20 ASP C C 47 173.500 175.895 -2.395 1
1 177 . 7 1 1 A 20 20 ASP CA C 47 52.840 53.092 -0.252 1
1 178 . 7 1 1 A 20 20 ASP CB C 47 39.980 39.735 0.245 1
1 179 . 7 1 1 A 20 20 ASP N N 47 114.670 114.907 -0.237 1
1 180 . 7 1 1 A 21 21 ALA H H 48 7.350 7.309 0.041 1
1 181 . 7 1 1 A 21 21 ALA HA H 48 4.280 4.275 0.005 1
1 185 . 7 1 1 A 21 21 ALA C C 48 174.490 176.438 -1.948 1
1 186 . 7 1 1 A 21 21 ALA CA C 48 53.430 52.313 1.117 1
1 187 . 7 1 1 A 21 21 ALA CB C 48 20.870 20.089 0.781 1
1 188 . 7 1 1 A 21 21 ALA N N 48 122.660 122.388 0.272 1
1 189 . 7 1 1 A 22 22 ILE H H 49 7.960 8.154 -0.194 1
1 190 . 7 1 1 A 22 22 ILE HA H 49 4.240 4.565 -0.325 1
1 199 . 7 1 1 A 22 22 ILE C C 49 173.300 176.255 -2.955 1
1 200 . 7 1 1 A 22 22 ILE CA C 49 60.230 59.491 0.739 1
1 201 . 7 1 1 A 22 22 ILE CB C 49 40.280 40.263 0.017 1
1 205 . 7 1 1 A 22 22 ILE N N 49 119.550 119.794 -0.244 1
1 206 . 7 1 1 A 23 23 ASN H H 50 9.280 9.096 0.184 1
1 207 . 7 1 1 A 23 23 ASN HA H 50 4.290 4.454 -0.164 1
1 212 . 7 1 1 A 23 23 ASN CA C 50 54.660 53.870 0.790 1
1 213 . 7 1 1 A 23 23 ASN CB C 50 37.620 36.166 1.454 1
1 214 . 7 1 1 A 23 23 ASN N N 50 125.470 125.094 0.376 1
1 216 . 7 1 1 A 24 24 ASN H H 51 8.850 8.483 0.367 1
1 217 . 7 1 1 A 24 24 ASN HA H 51 4.070 4.076 -0.006 1
1 222 . 7 1 1 A 24 24 ASN C C 51 170.660 173.765 -3.105 1
1 223 . 7 1 1 A 24 24 ASN CA C 51 56.080 54.406 1.674 1
1 224 . 7 1 1 A 24 24 ASN CB C 51 37.430 36.800 0.630 1
1 226 . 7 1 1 A 25 25 THR H H 52 7.190 7.462 -0.272 1
1 227 . 7 1 1 A 25 25 THR HA H 52 5.370 5.074 0.296 1
1 232 . 7 1 1 A 25 25 THR C C 52 169.910 172.289 -2.379 1
1 233 . 7 1 1 A 25 25 THR CA C 52 59.890 59.617 0.273 1
1 234 . 7 1 1 A 25 25 THR CB C 52 73.940 72.337 1.603 1
1 236 . 7 1 1 A 25 25 THR N N 52 105.820 106.144 -0.324 1
1 237 . 7 1 1 A 26 26 CYS H H 53 8.960 8.903 0.057 1
1 238 . 7 1 1 A 26 26 CYS HA H 53 5.000 5.424 -0.424 1
1 241 . 7 1 1 A 26 26 CYS C C 53 168.780 171.361 -2.581 1
1 242 . 7 1 1 A 26 26 CYS CA C 53 52.560 53.593 -1.033 1
1 243 . 7 1 1 A 26 26 CYS CB C 53 48.650 46.626 2.024 1
1 244 . 7 1 1 A 26 26 CYS N N 53 116.070 119.287 -3.217 1
1 245 . 7 1 1 A 27 27 ILE H H 54 8.530 8.469 0.061 1
1 246 . 7 1 1 A 27 27 ILE HA H 54 5.210 5.012 0.198 1
1 256 . 7 1 1 A 27 27 ILE C C 54 173.400 174.722 -1.322 1
1 257 . 7 1 1 A 27 27 ILE CA C 54 59.200 60.218 -1.018 1
1 258 . 7 1 1 A 27 27 ILE CB C 54 40.220 40.322 -0.102 1
1 262 . 7 1 1 A 27 27 ILE N N 54 120.170 120.683 -0.513 1
1 263 . 7 1 1 A 28 28 THR H H 55 9.200 8.811 0.389 1
1 264 . 7 1 1 A 28 28 THR HA H 55 4.800 5.263 -0.463 1
1 269 . 7 1 1 A 28 28 THR C C 55 168.370 172.471 -4.101 1
1 270 . 7 1 1 A 28 28 THR CA C 55 60.060 59.558 0.502 1
1 271 . 7 1 1 A 28 28 THR CB C 55 70.490 71.094 -0.604 1
1 273 . 7 1 1 A 28 28 THR N N 55 120.750 120.058 0.692 1
1 274 . 7 1 1 A 29 29 ASN H H 56 8.000 8.444 -0.444 1
1 275 . 7 1 1 A 29 29 ASN HA H 56 4.920 5.027 -0.107 1
1 280 . 7 1 1 A 29 29 ASN C C 56 172.880 175.587 -2.707 1
1 281 . 7 1 1 A 29 29 ASN CA C 56 52.620 51.626 0.994 1
1 282 . 7 1 1 A 29 29 ASN CB C 56 38.920 38.223 0.697 1
1 283 . 7 1 1 A 29 29 ASN N N 56 120.880 123.507 -2.627 1
1 285 . 7 1 1 A 30 30 GLY H H 57 8.510 7.732 0.778 1
1 286 . 7 1 1 A 30 30 GLY HA2 H 57 4.140 4.099 0.041 1
1 287 . 7 1 1 A 30 30 GLY HA3 H 57 3.960 4.132 -0.172 1
1 288 . 7 1 1 A 30 30 GLY C C 57 169.020 173.045 -4.025 1
1 289 . 7 1 1 A 30 30 GLY CA C 57 45.800 45.105 0.695 1
1 290 . 7 1 1 A 30 30 GLY N N 57 111.380 109.683 1.697 1
1 291 . 7 1 1 A 31 31 HIS H H 58 8.560 7.772 0.788 1
1 292 . 7 1 1 A 31 31 HIS HA H 58 4.710 5.269 -0.559 1
1 295 . 7 1 1 A 31 31 HIS C C 58 171.200 173.936 -2.736 1
1 296 . 7 1 1 A 31 31 HIS CA C 58 56.140 54.495 1.645 1
1 297 . 7 1 1 A 31 31 HIS CB C 58 34.650 34.041 0.609 1
1 298 . 7 1 1 A 31 31 HIS N N 58 120.870 117.333 3.537 1
1 299 . 7 1 1 A 32 32 CYS H H 59 8.710 8.519 0.191 1
1 300 . 7 1 1 A 32 32 CYS HA H 59 5.700 5.223 0.477 1
1 303 . 7 1 1 A 32 32 CYS C C 59 173.470 173.486 -0.016 1
1 304 . 7 1 1 A 32 32 CYS CA C 59 52.340 55.126 -2.786 1
1 305 . 7 1 1 A 32 32 CYS CB C 59 36.950 44.242 -7.292 1
1 306 . 7 1 1 A 32 32 CYS N N 59 117.290 119.574 -2.284 1
1 307 . 7 1 1 A 33 33 PHE H H 60 8.700 8.450 0.250 1
1 308 . 7 1 1 A 33 33 PHE HA H 60 6.110 5.806 0.304 1
1 316 . 7 1 1 A 33 33 PHE C C 60 172.200 172.886 -0.686 1
1 317 . 7 1 1 A 33 33 PHE CA C 60 56.630 55.315 1.315 1
1 318 . 7 1 1 A 33 33 PHE CB C 60 44.830 42.497 2.333 1
1 319 . 7 1 1 A 33 33 PHE N N 60 116.070 120.055 -3.985 1
1 320 . 7 1 1 A 34 34 ALA H H 61 9.200 8.423 0.777 1
1 321 . 7 1 1 A 34 34 ALA HA H 61 5.000 4.947 0.053 1
1 325 . 7 1 1 A 34 34 ALA C C 61 171.610 175.729 -4.119 1
1 326 . 7 1 1 A 34 34 ALA CA C 61 52.320 51.467 0.853 1
1 327 . 7 1 1 A 34 34 ALA CB C 61 23.950 23.313 0.637 1
1 328 . 7 1 1 A 34 34 ALA N N 61 125.170 121.112 4.058 1
1 329 . 7 1 1 A 35 35 ILE H H 62 9.470 8.590 0.880 1
1 330 . 7 1 1 A 35 35 ILE HA H 62 5.350 4.945 0.405 1
1 340 . 7 1 1 A 35 35 ILE C C 62 170.850 173.185 -2.335 1
1 341 . 7 1 1 A 35 35 ILE CA C 62 59.260 59.528 -0.268 1
1 342 . 7 1 1 A 35 35 ILE CB C 62 43.660 42.366 1.294 1
1 346 . 7 1 1 A 35 35 ILE N N 62 120.630 119.320 1.310 1
1 347 . 7 1 1 A 36 36 ILE H H 63 8.500 9.166 -0.666 1
1 348 . 7 1 1 A 36 36 ILE HA H 63 5.240 5.011 0.229 1
1 358 . 7 1 1 A 36 36 ILE C C 63 170.510 173.936 -3.426 1
1 359 . 7 1 1 A 36 36 ILE CA C 63 59.130 59.995 -0.865 1
1 360 . 7 1 1 A 36 36 ILE CB C 63 41.670 41.549 0.121 1
1 364 . 7 1 1 A 36 36 ILE N N 63 125.830 126.577 -0.747 1
1 365 . 7 1 1 A 37 37 GLU H H 64 8.450 8.666 -0.216 1
1 366 . 7 1 1 A 37 37 GLU HA H 64 5.010 4.910 0.100 1
1 371 . 7 1 1 A 37 37 GLU C C 64 171.410 174.619 -3.209 1
1 372 . 7 1 1 A 37 37 GLU CA C 64 54.830 54.564 0.266 1
1 373 . 7 1 1 A 37 37 GLU CB C 64 34.320 32.360 1.960 1
1 375 . 7 1 1 A 37 37 GLU N N 64 124.570 128.499 -3.929 1
1 376 . 7 1 1 A 38 38 GLU H H 65 8.300 8.440 -0.140 1
1 377 . 7 1 1 A 38 38 GLU HA H 65 5.040 4.883 0.157 1
1 382 . 7 1 1 A 38 38 GLU C C 65 172.920 175.965 -3.045 1
1 383 . 7 1 1 A 38 38 GLU CA C 65 54.760 55.076 -0.316 1
1 384 . 7 1 1 A 38 38 GLU CB C 65 33.470 31.364 2.106 1
1 386 . 7 1 1 A 38 38 GLU N N 65 123.960 123.091 0.869 1
1 387 . 7 1 1 A 39 39 ASP H H 66 8.470 8.286 0.184 1
1 388 . 7 1 1 A 39 39 ASP HA H 66 4.750 4.892 -0.142 1
1 391 . 7 1 1 A 39 39 ASP C C 66 174.940 177.070 -2.130 1
1 392 . 7 1 1 A 39 39 ASP CA C 66 52.890 52.561 0.329 1
1 393 . 7 1 1 A 39 39 ASP CB C 66 41.990 41.472 0.518 1
1 394 . 7 1 1 A 39 39 ASP N N 66 124.870 126.792 -1.922 1
1 395 . 7 1 1 A 40 40 ASP H H 67 8.380 8.753 -0.373 1
1 396 . 7 1 1 A 40 40 ASP HA H 67 4.310 4.258 0.052 1
1 399 . 7 1 1 A 40 40 ASP C C 67 174.210 177.362 -3.152 1
1 400 . 7 1 1 A 40 40 ASP CA C 67 56.350 56.645 -0.295 1
1 401 . 7 1 1 A 40 40 ASP CB C 67 40.510 40.469 0.041 1
1 402 . 7 1 1 A 40 40 ASP N N 67 116.220 118.572 -2.352 1
1 403 . 7 1 1 A 41 41 GLN H H 68 8.200 7.758 0.442 1
1 404 . 7 1 1 A 41 41 GLN HA H 68 4.380 4.368 0.012 1
1 411 . 7 1 1 A 41 41 GLN C C 68 173.740 176.387 -2.647 1
1 412 . 7 1 1 A 41 41 GLN CA C 68 55.590 55.611 -0.021 1
1 413 . 7 1 1 A 41 41 GLN CB C 68 29.780 29.454 0.326 1
1 415 . 7 1 1 A 41 41 GLN N N 68 117.190 116.673 0.517 1
1 417 . 7 1 1 A 42 42 GLY H H 69 8.000 8.218 -0.218 1
1 418 . 7 1 1 A 42 42 GLY HA2 H 69 3.630 3.893 -0.263 1
1 419 . 7 1 1 A 42 42 GLY HA3 H 69 4.140 3.893 0.247 1
1 420 . 7 1 1 A 42 42 GLY C C 69 171.650 174.313 -2.663 1
1 421 . 7 1 1 A 42 42 GLY CA C 69 45.730 45.632 0.098 1
1 422 . 7 1 1 A 42 42 GLY N N 69 108.130 108.535 -0.405 1
1 423 . 7 1 1 A 43 43 GLU H H 70 8.410 7.568 0.842 1
1 424 . 7 1 1 A 43 43 GLU HA H 70 4.450 4.602 -0.152 1
1 429 . 7 1 1 A 43 43 GLU C C 70 173.970 176.399 -2.429 1
1 430 . 7 1 1 A 43 43 GLU CA C 70 56.020 55.062 0.958 1
1 431 . 7 1 1 A 43 43 GLU CB C 70 30.300 31.035 -0.735 1
1 433 . 7 1 1 A 43 43 GLU N N 70 122.300 120.092 2.208 1
1 434 . 7 1 1 A 44 44 THR H H 71 8.620 8.481 0.139 1
1 435 . 7 1 1 A 44 44 THR HA H 71 5.210 5.118 0.092 1
1 440 . 7 1 1 A 44 44 THR C C 71 172.160 173.907 -1.747 1
1 441 . 7 1 1 A 44 44 THR CA C 71 61.600 60.675 0.925 1
1 442 . 7 1 1 A 44 44 THR CB C 71 71.000 70.256 0.744 1
1 444 . 7 1 1 A 44 44 THR N N 71 117.330 113.209 4.121 1
1 445 . 7 1 1 A 45 45 THR H H 72 8.760 8.717 0.043 1
1 446 . 7 1 1 A 45 45 THR HA H 72 4.500 5.136 -0.636 1
1 451 . 7 1 1 A 45 45 THR C C 72 169.600 173.737 -4.137 1
1 452 . 7 1 1 A 45 45 THR CA C 72 61.270 60.608 0.662 1
1 453 . 7 1 1 A 45 45 THR CB C 72 72.320 70.174 2.146 1
1 455 . 7 1 1 A 45 45 THR N N 72 117.840 116.924 0.916 1
1 456 . 7 1 1 A 46 46 LEU H H 73 8.400 9.186 -0.786 1
1 457 . 7 1 1 A 46 46 LEU HA H 73 5.250 5.107 0.143 1
1 464 . 7 1 1 A 46 46 LEU C C 73 173.150 175.603 -2.453 1
1 465 . 7 1 1 A 46 46 LEU CA C 73 54.300 53.922 0.378 1
1 466 . 7 1 1 A 46 46 LEU CB C 73 44.860 43.630 1.230 1
1 470 . 7 1 1 A 46 46 LEU N N 73 126.020 127.690 -1.670 1
1 471 . 7 1 1 A 47 47 ALA HA H 74 4.760 5.471 -0.711 1
1 475 . 7 1 1 A 47 47 ALA C C 74 172.740 175.425 -2.685 1
1 476 . 7 1 1 A 47 47 ALA CA C 74 51.440 51.060 0.380 1
1 477 . 7 1 1 A 47 47 ALA CB C 74 23.350 23.729 -0.379 1
1 478 . 7 1 1 A 48 48 SER H H 75 8.700 8.282 0.418 1
1 479 . 7 1 1 A 48 48 SER HA H 75 4.500 4.616 -0.116 1
1 482 . 7 1 1 A 48 48 SER C C 75 171.590 172.947 -1.357 1
1 483 . 7 1 1 A 48 48 SER CA C 75 57.740 56.405 1.335 1
1 484 . 7 1 1 A 48 48 SER CB C 75 65.700 66.041 -0.341 1
1 485 . 7 1 1 A 48 48 SER N N 75 111.400 114.228 -2.828 1
1 486 . 7 1 1 A 49 49 GLY H H 76 6.440 7.180 -0.740 1
1 487 . 7 1 1 A 49 49 GLY HA2 H 76 3.850 3.872 -0.022 1
1 488 . 7 1 1 A 49 49 GLY HA3 H 76 3.730 3.880 -0.150 1
1 489 . 7 1 1 A 49 49 GLY C C 76 167.890 171.203 -3.313 1
1 490 . 7 1 1 A 49 49 GLY CA C 76 47.420 45.888 1.532 1
1 491 . 7 1 1 A 49 49 GLY N N 76 105.480 105.521 -0.041 1
1 492 . 7 1 1 A 50 50 CYS H H 77 8.740 8.330 0.410 1
1 493 . 7 1 1 A 50 50 CYS HA H 77 4.950 5.346 -0.396 1
1 496 . 7 1 1 A 50 50 CYS C C 77 170.670 172.817 -2.147 1
1 497 . 7 1 1 A 50 50 CYS CA C 77 60.030 55.298 4.732 1
1 498 . 7 1 1 A 50 50 CYS CB C 77 46.100 43.443 2.657 1
1 499 . 7 1 1 A 50 50 CYS N N 77 118.960 120.000 -1.040 1
1 500 . 7 1 1 A 51 51 MET H H 78 9.240 9.040 0.200 1
1 501 . 7 1 1 A 51 51 MET HA H 78 4.760 5.029 -0.269 1
1 509 . 7 1 1 A 51 51 MET C C 78 171.990 175.969 -3.979 1
1 510 . 7 1 1 A 51 51 MET CA C 78 54.630 54.176 0.454 1
1 511 . 7 1 1 A 51 51 MET CB C 78 35.810 35.142 0.668 1
1 514 . 7 1 1 A 51 51 MET N N 78 122.340 125.944 -3.604 1
1 515 . 7 1 1 A 52 52 LYS H H 79 8.430 8.439 -0.009 1
1 516 . 7 1 1 A 52 52 LYS HA H 79 4.160 4.298 -0.138 1
1 525 . 7 1 1 A 52 52 LYS C C 79 173.040 175.873 -2.833 1
1 526 . 7 1 1 A 52 52 LYS CA C 79 57.120 56.163 0.957 1
1 527 . 7 1 1 A 52 52 LYS CB C 79 33.720 32.736 0.984 1
1 531 . 7 1 1 A 52 52 LYS N N 79 125.030 123.990 1.040 1
1 532 . 7 1 1 A 53 53 TYR H H 80 8.400 8.797 -0.397 1
1 533 . 7 1 1 A 53 53 TYR HA H 80 4.200 4.540 -0.340 1
1 536 . 7 1 1 A 53 53 TYR C C 80 173.370 175.284 -1.914 1
1 537 . 7 1 1 A 53 53 TYR CA C 80 59.910 59.327 0.583 1
1 538 . 7 1 1 A 53 53 TYR CB C 80 39.000 39.287 -0.287 1
1 539 . 7 1 1 A 53 53 TYR N N 80 121.420 120.947 0.473 1
1 540 . 7 1 1 A 54 54 GLU H H 81 8.490 8.587 -0.097 1
1 541 . 7 1 1 A 54 54 GLU HA H 81 4.170 4.618 -0.448 1
1 545 . 7 1 1 A 54 54 GLU C C 81 173.240 176.611 -3.371 1
1 546 . 7 1 1 A 54 54 GLU CA C 81 56.440 56.656 -0.216 1
1 547 . 7 1 1 A 54 54 GLU CB C 81 30.860 32.458 -1.598 1
1 549 . 7 1 1 A 54 54 GLU N N 81 123.790 124.508 -0.718 1
1 550 . 7 1 1 A 55 55 GLY H H 82 7.200 7.407 -0.207 1
1 551 . 7 1 1 A 55 55 GLY HA2 H 82 4.050 3.778 0.272 1
1 552 . 7 1 1 A 55 55 GLY HA3 H 82 3.690 3.899 -0.209 1
1 553 . 7 1 1 A 55 55 GLY C C 82 171.520 174.701 -3.181 1
1 554 . 7 1 1 A 55 55 GLY CA C 82 45.680 45.183 0.497 1
1 555 . 7 1 1 A 55 55 GLY N N 82 108.400 107.278 1.122 1
1 556 . 7 1 1 A 56 56 SER H H 83 8.140 7.840 0.300 1
1 557 . 7 1 1 A 56 56 SER HA H 83 4.280 4.294 -0.014 1
1 560 . 7 1 1 A 56 56 SER C C 83 171.900 173.851 -1.951 1
1 561 . 7 1 1 A 56 56 SER CA C 83 59.270 59.147 0.123 1
1 562 . 7 1 1 A 56 56 SER CB C 83 63.960 63.459 0.501 1
1 563 . 7 1 1 A 56 56 SER N N 83 114.650 116.484 -1.834 1
1 564 . 7 1 1 A 57 57 ASP H H 84 8.340 8.672 -0.332 1
1 565 . 7 1 1 A 57 57 ASP HA H 84 4.430 4.451 -0.021 1
1 568 . 7 1 1 A 57 57 ASP C C 84 173.100 176.274 -3.174 1
1 569 . 7 1 1 A 57 57 ASP CA C 84 54.950 56.546 -1.596 1
1 570 . 7 1 1 A 57 57 ASP CB C 84 40.840 42.438 -1.598 1
1 571 . 7 1 1 A 57 57 ASP N N 84 121.230 126.451 -5.221 1
1 572 . 7 1 1 A 58 58 PHE H H 85 7.730 8.041 -0.311 1
1 573 . 7 1 1 A 58 58 PHE HA H 85 4.260 4.736 -0.476 1
1 581 . 7 1 1 A 58 58 PHE C C 85 172.590 174.965 -2.375 1
1 582 . 7 1 1 A 58 58 PHE CA C 85 58.520 57.351 1.169 1
1 583 . 7 1 1 A 58 58 PHE CB C 85 39.840 39.396 0.444 1
1 584 . 7 1 1 A 58 58 PHE N N 85 118.920 113.821 5.099 1
1 585 . 7 1 1 A 59 59 GLN H H 86 7.790 7.793 -0.003 1
1 586 . 7 1 1 A 59 59 GLN HA H 86 4.070 4.459 -0.389 1
1 593 . 7 1 1 A 59 59 GLN C C 86 172.550 175.987 -3.437 1
1 594 . 7 1 1 A 59 59 GLN CA C 86 56.000 55.361 0.639 1
1 595 . 7 1 1 A 59 59 GLN CB C 86 30.600 26.556 4.044 1
1 597 . 7 1 1 A 59 59 GLN N N 86 120.280 119.125 1.155 1
1 599 . 7 1 1 A 60 60 CYS H H 87 8.100 8.847 -0.747 1
1 600 . 7 1 1 A 60 60 CYS HA H 87 4.140 4.773 -0.633 1
1 603 . 7 1 1 A 60 60 CYS C C 87 170.910 173.678 -2.768 1
1 604 . 7 1 1 A 60 60 CYS CA C 87 56.810 55.325 1.485 1
1 605 . 7 1 1 A 60 60 CYS CB C 87 40.780 42.973 -2.193 1
1 606 . 7 1 1 A 60 60 CYS N N 87 118.790 121.963 -3.173 1
1 607 . 7 1 1 A 61 61 LYS H H 88 7.610 7.805 -0.195 1
1 608 . 7 1 1 A 61 61 LYS HA H 88 4.280 4.594 -0.314 1
1 617 . 7 1 1 A 61 61 LYS C C 88 172.330 175.095 -2.765 1
1 618 . 7 1 1 A 61 61 LYS CA C 88 56.210 55.175 1.035 1
1 619 . 7 1 1 A 61 61 LYS CB C 88 34.210 33.978 0.232 1
1 623 . 7 1 1 A 61 61 LYS N N 88 120.330 121.393 -1.063 1
1 624 . 7 1 1 A 62 62 ASP H H 89 8.180 9.006 -0.826 1
1 625 . 7 1 1 A 62 62 ASP HA H 89 4.500 5.405 -0.905 1
1 628 . 7 1 1 A 62 62 ASP C C 89 172.970 174.365 -1.395 1
1 629 . 7 1 1 A 62 62 ASP CA C 89 54.200 52.789 1.411 1
1 630 . 7 1 1 A 62 62 ASP CB C 89 42.090 43.200 -1.110 1
1 631 . 7 1 1 A 62 62 ASP N N 89 121.190 118.388 2.802 1
1 632 . 7 1 1 A 63 63 SER H H 90 8.190 8.951 -0.761 1
1 633 . 7 1 1 A 63 63 SER HA H 90 4.640 4.764 -0.124 1
1 636 . 7 1 1 A 63 63 SER C C 90 170.240 174.126 -3.886 1
1 637 . 7 1 1 A 63 63 SER CA C 90 56.600 57.176 -0.576 1
1 638 . 7 1 1 A 63 63 SER CB C 90 63.770 62.788 0.982 1
1 639 . 7 1 1 A 63 63 SER N N 90 116.710 121.080 -4.370 1
1 640 . 7 1 1 A 64 64 PRO HA H 91 4.350 4.603 -0.253 1
1 647 . 7 1 1 A 64 64 PRO CA C 91 63.800 62.713 1.087 1
1 648 . 7 1 1 A 64 64 PRO CB C 91 32.410 29.450 2.960 1
1 651 . 7 1 1 A 65 65 LYS H H 92 8.240 7.686 0.554 1
1 652 . 7 1 1 A 65 65 LYS HA H 92 4.210 4.576 -0.366 1
1 661 . 7 1 1 A 65 65 LYS C C 92 173.330 174.452 -1.122 1
1 662 . 7 1 1 A 65 65 LYS CA C 92 56.410 55.340 1.070 1
1 663 . 7 1 1 A 65 65 LYS CB C 92 33.230 33.017 0.213 1
1 667 . 7 1 1 A 65 65 LYS N N 92 120.180 122.200 -2.020 1
1 668 . 7 1 1 A 66 66 ALA H H 93 8.040 7.447 0.593 1
1 669 . 7 1 1 A 66 66 ALA HA H 93 4.210 4.691 -0.481 1
1 673 . 7 1 1 A 66 66 ALA C C 93 174.580 175.669 -1.089 1
1 674 . 7 1 1 A 66 66 ALA CA C 93 53.020 50.942 2.078 1
1 675 . 7 1 1 A 66 66 ALA CB C 93 19.760 21.851 -2.091 1
1 676 . 7 1 1 A 66 66 ALA N N 93 124.050 122.979 1.071 1
1 677 . 7 1 1 A 67 67 GLN H H 94 8.320 8.562 -0.242 1
1 678 . 7 1 1 A 67 67 GLN HA H 94 4.190 4.318 -0.128 1
1 685 . 7 1 1 A 67 67 GLN C C 94 172.780 175.270 -2.490 1
1 686 . 7 1 1 A 67 67 GLN CA C 94 56.750 54.724 2.026 1
1 687 . 7 1 1 A 67 67 GLN CB C 94 29.100 30.001 -0.901 1
1 689 . 7 1 1 A 67 67 GLN N N 94 117.930 118.137 -0.207 1
1 691 . 7 1 1 A 68 68 LEU H H 95 7.730 8.093 -0.363 1
1 692 . 7 1 1 A 68 68 LEU HA H 95 4.360 4.370 -0.010 1
1 702 . 7 1 1 A 68 68 LEU C C 95 174.270 177.172 -2.902 1
1 703 . 7 1 1 A 68 68 LEU CA C 95 54.970 55.304 -0.334 1
1 704 . 7 1 1 A 68 68 LEU CB C 95 43.120 43.385 -0.265 1
1 708 . 7 1 1 A 68 68 LEU N N 95 120.470 123.777 -3.307 1
1 709 . 7 1 1 A 69 69 ARG H H 96 8.600 8.571 0.029 1
1 710 . 7 1 1 A 69 69 ARG HA H 96 4.230 4.426 -0.196 1
1 718 . 7 1 1 A 69 69 ARG C C 96 171.700 176.273 -4.573 1
1 719 . 7 1 1 A 69 69 ARG CA C 96 56.570 56.587 -0.017 1
1 720 . 7 1 1 A 69 69 ARG CB C 96 30.660 30.718 -0.058 1
1 723 . 7 1 1 A 69 69 ARG N N 96 121.670 124.137 -2.467 1
1 725 . 7 1 1 A 70 70 ARG H H 97 7.800 8.692 -0.892 1
1 726 . 7 1 1 A 70 70 ARG HA H 97 5.170 5.156 0.014 1
1 734 . 7 1 1 A 70 70 ARG C C 97 172.120 173.845 -1.725 1
1 735 . 7 1 1 A 70 70 ARG CA C 97 55.260 54.650 0.610 1
1 736 . 7 1 1 A 70 70 ARG CB C 97 34.040 33.772 0.268 1
1 739 . 7 1 1 A 70 70 ARG N N 97 120.130 120.642 -0.512 1
1 741 . 7 1 1 A 71 71 THR H H 98 8.610 8.372 0.238 1
1 742 . 7 1 1 A 71 71 THR HA H 98 4.600 5.133 -0.533 1
1 747 . 7 1 1 A 71 71 THR C C 98 169.250 173.699 -4.449 1
1 748 . 7 1 1 A 71 71 THR CA C 98 62.030 61.516 0.514 1
1 749 . 7 1 1 A 71 71 THR CB C 98 71.970 71.520 0.450 1
1 751 . 7 1 1 A 71 71 THR N N 98 118.550 115.781 2.769 1
1 752 . 7 1 1 A 72 72 ILE H H 99 8.520 8.614 -0.094 1
1 753 . 7 1 1 A 72 72 ILE HA H 99 5.080 5.101 -0.021 1
1 763 . 7 1 1 A 72 72 ILE C C 99 170.930 172.955 -2.025 1
1 764 . 7 1 1 A 72 72 ILE CA C 99 59.370 59.346 0.024 1
1 765 . 7 1 1 A 72 72 ILE CB C 99 42.140 42.392 -0.252 1
1 769 . 7 1 1 A 72 72 ILE N N 99 125.230 122.754 2.476 1
1 770 . 7 1 1 A 73 73 GLU H H 100 8.860 8.697 0.163 1
1 771 . 7 1 1 A 73 73 GLU HA H 100 4.670 5.142 -0.472 1
1 776 . 7 1 1 A 73 73 GLU C C 100 172.200 175.410 -3.210 1
1 777 . 7 1 1 A 73 73 GLU CA C 100 55.840 54.946 0.894 1
1 778 . 7 1 1 A 73 73 GLU CB C 100 34.410 34.346 0.064 1
1 780 . 7 1 1 A 73 73 GLU N N 100 125.680 125.730 -0.050 1
1 781 . 7 1 1 A 74 74 CYS H H 101 8.830 8.694 0.136 1
1 782 . 7 1 1 A 74 74 CYS HA H 101 5.790 5.439 0.351 1
1 785 . 7 1 1 A 74 74 CYS C C 101 170.360 172.364 -2.004 1
1 786 . 7 1 1 A 74 74 CYS CA C 101 55.010 55.237 -0.227 1
1 787 . 7 1 1 A 74 74 CYS CB C 101 45.320 46.374 -1.054 1
1 788 . 7 1 1 A 74 74 CYS N N 101 119.260 119.162 0.098 1
1 789 . 7 1 1 A 75 75 CYS H H 102 9.130 8.625 0.505 1
1 790 . 7 1 1 A 75 75 CYS HA H 102 5.000 5.378 -0.378 1
1 793 . 7 1 1 A 75 75 CYS C C 102 170.670 171.864 -1.194 1
1 794 . 7 1 1 A 75 75 CYS CA C 102 56.180 55.576 0.604 1
1 795 . 7 1 1 A 75 75 CYS CB C 102 46.090 46.333 -0.243 1
1 796 . 7 1 1 A 75 75 CYS N N 102 116.460 119.001 -2.541 1
1 797 . 7 1 1 A 76 76 ARG H H 103 9.240 9.080 0.160 1
1 798 . 7 1 1 A 76 76 ARG HA H 103 4.800 4.466 0.334 1
1 806 . 7 1 1 A 76 76 ARG C C 103 172.120 174.640 -2.520 1
1 807 . 7 1 1 A 76 76 ARG CA C 103 56.230 55.044 1.186 1
1 808 . 7 1 1 A 76 76 ARG CB C 103 32.610 29.521 3.089 1
1 811 . 7 1 1 A 76 76 ARG N N 103 122.520 125.315 -2.795 1
1 813 . 7 1 1 A 77 77 THR H H 104 7.440 7.718 -0.278 1
1 814 . 7 1 1 A 77 77 THR HA H 104 4.600 5.138 -0.538 1
1 819 . 7 1 1 A 77 77 THR C C 104 171.890 173.574 -1.684 1
1 820 . 7 1 1 A 77 77 THR CA C 104 61.270 59.494 1.776 1
1 821 . 7 1 1 A 77 77 THR CB C 104 72.490 72.015 0.475 1
1 823 . 7 1 1 A 77 77 THR N N 104 109.730 112.109 -2.379 1
1 824 . 7 1 1 A 78 78 ASN H H 105 8.590 8.676 -0.086 1
1 825 . 7 1 1 A 78 78 ASN HA H 105 4.790 4.635 0.155 1
1 830 . 7 1 1 A 78 78 ASN C C 105 174.150 175.276 -1.126 1
1 831 . 7 1 1 A 78 78 ASN CA C 105 55.870 54.151 1.719 1
1 832 . 7 1 1 A 78 78 ASN CB C 105 39.260 38.219 1.041 1
1 833 . 7 1 1 A 78 78 ASN N N 105 119.360 119.414 -0.054 1
1 835 . 7 1 1 A 79 79 LEU H H 106 9.980 8.789 1.191 1
1 836 . 7 1 1 A 79 79 LEU HA H 106 3.680 3.902 -0.222 1
1 846 . 7 1 1 A 79 79 LEU C C 106 175.050 177.516 -2.466 1
1 847 . 7 1 1 A 79 79 LEU CA C 106 56.790 56.076 0.714 1
1 848 . 7 1 1 A 79 79 LEU CB C 106 38.920 39.336 -0.416 1
1 852 . 7 1 1 A 79 79 LEU N N 106 118.230 117.725 0.505 1
1 853 . 7 1 1 A 80 80 CYS H H 107 8.250 8.014 0.236 1
1 854 . 7 1 1 A 80 80 CYS HA H 107 4.320 4.425 -0.105 1
1 857 . 7 1 1 A 80 80 CYS C C 107 172.470 174.928 -2.458 1
1 858 . 7 1 1 A 80 80 CYS CA C 107 58.370 58.597 -0.227 1
1 859 . 7 1 1 A 80 80 CYS CB C 107 46.090 42.150 3.940 1
1 860 . 7 1 1 A 80 80 CYS N N 107 115.460 116.194 -0.734 1
1 861 . 7 1 1 A 81 81 ASN H H 108 8.590 7.954 0.636 1
1 862 . 7 1 1 A 81 81 ASN HA H 108 4.430 4.645 -0.215 1
1 867 . 7 1 1 A 81 81 ASN C C 108 172.210 177.371 -5.161 1
1 868 . 7 1 1 A 81 81 ASN CA C 108 53.320 54.820 -1.500 1
1 869 . 7 1 1 A 81 81 ASN CB C 108 37.290 38.618 -1.328 1
1 870 . 7 1 1 A 81 81 ASN N N 108 118.040 119.329 -1.289 1
1 872 . 7 1 1 A 82 82 GLN H H 109 7.490 8.084 -0.594 1
1 873 . 7 1 1 A 82 82 GLN HA H 109 3.380 3.583 -0.203 1
1 880 . 7 1 1 A 82 82 GLN C C 109 172.300 176.828 -4.528 1
1 881 . 7 1 1 A 82 82 GLN CA C 109 58.940 58.245 0.695 1
1 882 . 7 1 1 A 82 82 GLN CB C 109 28.770 27.747 1.023 1
1 884 . 7 1 1 A 82 82 GLN N N 109 121.350 119.926 1.424 1
1 886 . 7 1 1 A 83 83 TYR H H 110 7.830 7.664 0.166 1
1 887 . 7 1 1 A 83 83 TYR HA H 110 4.590 4.658 -0.068 1
1 892 . 7 1 1 A 83 83 TYR CA C 110 56.490 57.236 -0.746 1
1 893 . 7 1 1 A 83 83 TYR CB C 110 38.400 38.107 0.293 1
1 894 . 7 1 1 A 83 83 TYR N N 110 114.600 116.538 -1.938 1
1 895 . 7 1 1 A 84 84 LEU H H 111 6.610 7.370 -0.760 1
1 896 . 7 1 1 A 84 84 LEU HA H 111 4.170 4.981 -0.811 1
1 905 . 7 1 1 A 84 84 LEU C C 111 172.880 174.786 -1.906 1
1 906 . 7 1 1 A 84 84 LEU CA C 111 55.250 53.506 1.744 1
1 907 . 7 1 1 A 84 84 LEU CB C 111 43.400 44.926 -1.526 1
1 911 . 7 1 1 A 84 84 LEU N N 111 120.140 121.947 -1.807 1
1 912 . 7 1 1 A 85 85 GLN H H 112 8.780 8.929 -0.149 1
1 913 . 7 1 1 A 85 85 GLN HA H 112 4.570 4.807 -0.237 1
1 920 . 7 1 1 A 85 85 GLN C C 112 169.480 174.464 -4.984 1
1 921 . 7 1 1 A 85 85 GLN CA C 112 53.110 52.773 0.337 1
1 922 . 7 1 1 A 85 85 GLN CB C 112 30.000 30.082 -0.082 1
1 924 . 7 1 1 A 85 85 GLN N N 112 122.790 127.746 -4.956 1
1 926 . 7 1 1 A 86 86 PRO HA H 113 4.400 4.879 -0.479 1
1 931 . 7 1 1 A 86 86 PRO CA C 113 63.040 62.469 0.571 1
1 932 . 7 1 1 A 86 86 PRO CB C 113 32.400 32.502 -0.102 1
1 935 . 7 1 1 A 87 87 THR H H 114 8.180 8.554 -0.374 1
1 936 . 7 1 1 A 87 87 THR HA H 114 4.400 5.009 -0.609 1
1 941 . 7 1 1 A 87 87 THR C C 114 172.180 173.406 -1.226 1
1 942 . 7 1 1 A 87 87 THR CA C 114 60.960 59.735 1.225 1
1 943 . 7 1 1 A 87 87 THR CB C 114 71.290 72.111 -0.821 1
1 945 . 7 1 1 A 87 87 THR N N 114 111.930 112.748 -0.818 1
1 946 . 7 1 1 A 88 88 LEU H H 115 8.580 8.592 -0.012 1
1 947 . 7 1 1 A 88 88 LEU HA H 115 4.300 4.859 -0.559 1
1 956 . 7 1 1 A 88 88 LEU C C 115 171.740 174.660 -2.920 1
1 957 . 7 1 1 A 88 88 LEU CA C 115 53.230 53.712 -0.482 1
1 958 . 7 1 1 A 88 88 LEU CB C 115 41.900 41.067 0.833 1
1 962 . 7 1 1 A 88 88 LEU N N 115 125.290 124.511 0.779 1
1 963 . 7 1 1 A 89 89 PRO HA H 116 4.630 4.623 0.007 1
1 970 . 7 1 1 A 89 89 PRO CA C 116 61.580 61.333 0.247 1
1 971 . 7 1 1 A 89 89 PRO CB C 116 30.980 31.469 -0.489 1
1 974 . 7 1 1 A 90 90 PRO HA H 117 4.350 4.375 -0.025 1
1 977 . 7 1 1 A 90 90 PRO CA C 117 63.010 62.383 0.627 1
1 978 . 7 1 1 A 90 90 PRO CB C 117 32.300 31.721 0.579 1
1 981 . 7 1 1 A 91 91 VAL H H 118 8.190 8.555 -0.365 1
1 982 . 7 1 1 A 91 91 VAL HA H 118 3.900 3.978 -0.078 1
1 990 . 7 1 1 A 91 91 VAL C C 118 173.270 176.161 -2.891 1
1 991 . 7 1 1 A 91 91 VAL CA C 118 62.890 64.425 -1.535 1
1 992 . 7 1 1 A 91 91 VAL CB C 118 32.980 32.671 0.309 1
1 994 . 7 1 1 A 91 91 VAL N N 118 120.460 118.503 1.957 1
1 995 . 7 1 1 A 92 92 VAL H H 119 8.180 7.489 0.691 1
1 996 . 7 1 1 A 92 92 VAL HA H 119 4.040 4.006 0.034 1
1 1004 . 7 1 1 A 92 92 VAL C C 119 172.960 175.420 -2.460 1
1 1005 . 7 1 1 A 92 92 VAL CA C 119 62.250 62.045 0.205 1
1 1006 . 7 1 1 A 92 92 VAL CB C 119 33.280 32.863 0.417 1
1 1008 . 7 1 1 A 92 92 VAL N N 119 125.030 118.781 6.249 1
1 1009 . 7 1 1 A 93 93 ILE H H 120 8.220 8.682 -0.462 1
1 1010 . 7 1 1 A 93 93 ILE HA H 120 4.110 4.635 -0.525 1
1 1015 . 7 1 1 A 93 93 ILE C C 120 173.440 176.250 -2.810 1
1 1016 . 7 1 1 A 93 93 ILE CA C 120 61.050 60.611 0.439 1
1 1017 . 7 1 1 A 93 93 ILE CB C 120 39.030 36.889 2.141 1
1 1021 . 7 1 1 A 93 93 ILE N N 120 125.690 127.530 -1.840 1
1 1022 . 7 1 1 A 94 94 GLY H H 121 8.190 8.473 -0.283 1
1 1023 . 7 1 1 A 94 94 GLY HA2 H 121 4.050 4.163 -0.113 1
1 1024 . 7 1 1 A 94 94 GLY HA3 H 121 3.940 4.166 -0.226 1
1 1025 . 7 1 1 A 94 94 GLY C C 121 169.080 172.948 -3.868 1
1 1026 . 7 1 1 A 94 94 GLY CA C 121 44.850 44.253 0.597 1
1 1027 . 7 1 1 A 94 94 GLY N N 121 113.150 113.297 -0.147 1
1 1028 . 7 1 1 A 95 95 PRO HA H 122 4.270 4.691 -0.421 1
1 1032 . 7 1 1 A 95 95 PRO CA C 122 63.340 62.943 0.397 1
1 1033 . 7 1 1 A 95 95 PRO CB C 122 32.160 33.118 -0.958 1
1 1036 . 7 1 1 A 96 96 PHE H H 123 8.140 8.528 -0.388 1
1 1037 . 7 1 1 A 96 96 PHE HA H 123 4.510 5.294 -0.784 1
1 1040 . 7 1 1 A 96 96 PHE C C 123 172.700 172.960 -0.260 1
1 1041 . 7 1 1 A 96 96 PHE CA C 123 58.040 56.164 1.876 1
1 1042 . 7 1 1 A 96 96 PHE CB C 123 39.710 41.776 -2.066 1
1 1043 . 7 1 1 A 96 96 PHE N N 123 119.410 117.481 1.929 1
1 1044 . 7 1 1 A 97 97 PHE H H 124 8.000 8.932 -0.932 1
1 1045 . 7 1 1 A 97 97 PHE HA H 124 4.490 5.005 -0.515 1
1 1048 . 7 1 1 A 97 97 PHE C C 124 172.140 173.568 -1.428 1
1 1049 . 7 1 1 A 97 97 PHE CA C 124 58.000 57.497 0.503 1
1 1050 . 7 1 1 A 97 97 PHE CB C 124 40.140 42.638 -2.498 1
1 1051 . 7 1 1 A 97 97 PHE N N 124 122.180 120.121 2.059 1
1 1052 . 7 1 1 A 98 98 ASP H H 125 8.100 8.311 -0.211 1
1 1053 . 7 1 1 A 98 98 ASP HA H 125 4.400 4.928 -0.528 1
1 1056 . 7 1 1 A 98 98 ASP C C 125 173.870 177.370 -3.500 1
1 1057 . 7 1 1 A 98 98 ASP CA C 125 54.470 53.035 1.435 1
1 1058 . 7 1 1 A 98 98 ASP CB C 125 41.390 40.765 0.625 1
1 1059 . 7 1 1 A 98 98 ASP N N 125 123.000 124.276 -1.276 1
1 1060 . 7 1 1 A 99 99 GLY H H 126 8.010 7.482 0.528 1
1 1061 . 7 1 1 A 99 99 GLY HA3 H 126 3.860 3.787 0.073 1
1 1062 . 7 1 1 A 99 99 GLY C C 126 171.640 174.238 -2.598 1
1 1063 . 7 1 1 A 99 99 GLY CA C 126 45.860 46.463 -0.603 1
1 1064 . 7 1 1 A 99 99 GLY N N 126 109.280 109.450 -0.170 1
1 1065 . 7 1 1 A 100 100 SER H H 127 8.110 7.597 0.513 1
1 1066 . 7 1 1 A 100 100 SER HA H 127 4.320 4.528 -0.208 1
1 1069 . 7 1 1 A 100 100 SER C C 127 171.520 174.568 -3.048 1
1 1070 . 7 1 1 A 100 100 SER CA C 127 59.190 57.977 1.213 1
1 1071 . 7 1 1 A 100 100 SER CB C 127 64.240 64.081 0.159 1
1 1072 . 7 1 1 A 100 100 SER N N 127 115.760 115.855 -0.095 1
1 1073 . 7 1 1 A 101 101 ILE H H 128 7.960 8.600 -0.640 1
1 1074 . 7 1 1 A 101 101 ILE HA H 128 4.110 4.366 -0.256 1
1 1084 . 7 1 1 A 101 101 ILE C C 128 172.590 175.049 -2.459 1
1 1085 . 7 1 1 A 101 101 ILE CA C 128 61.800 60.437 1.363 1
1 1086 . 7 1 1 A 101 101 ILE CB C 128 38.820 38.837 -0.017 1
1 1090 . 7 1 1 A 101 101 ILE N N 128 122.050 125.950 -3.900 1
1 1 . 8 1 1 A 2 2 PRO HA H 29 4.310 4.589 -0.279 1
1 8 . 8 1 1 A 2 2 PRO CA C 29 64.380 63.255 1.125 1
1 9 . 8 1 1 A 2 2 PRO CB C 29 32.300 31.617 0.683 1
1 12 . 8 1 1 A 3 3 GLU H H 30 9.010 8.737 0.273 1
1 13 . 8 1 1 A 3 3 GLU HA H 30 4.170 4.369 -0.199 1
1 18 . 8 1 1 A 3 3 GLU C C 30 173.730 175.492 -1.762 1
1 19 . 8 1 1 A 3 3 GLU CA C 30 57.560 55.902 1.658 1
1 20 . 8 1 1 A 3 3 GLU CB C 30 29.400 29.087 0.313 1
1 22 . 8 1 1 A 3 3 GLU N N 30 118.790 121.933 -3.143 1
1 23 . 8 1 1 A 4 4 ASP H H 31 7.940 7.572 0.368 1
1 24 . 8 1 1 A 4 4 ASP HA H 31 4.560 4.741 -0.181 1
1 27 . 8 1 1 A 4 4 ASP C C 31 173.600 174.331 -0.731 1
1 28 . 8 1 1 A 4 4 ASP CA C 31 54.940 53.623 1.317 1
1 29 . 8 1 1 A 4 4 ASP CB C 31 41.650 38.956 2.694 1
1 30 . 8 1 1 A 4 4 ASP N N 31 119.920 121.803 -1.883 1
1 31 . 8 1 1 A 5 5 THR H H 32 7.810 7.909 -0.099 1
1 32 . 8 1 1 A 5 5 THR HA H 32 4.160 4.687 -0.527 1
1 37 . 8 1 1 A 5 5 THR C C 32 171.630 173.437 -1.807 1
1 38 . 8 1 1 A 5 5 THR CA C 32 62.410 61.459 0.951 1
1 39 . 8 1 1 A 5 5 THR CB C 32 70.040 71.811 -1.771 1
1 41 . 8 1 1 A 5 5 THR N N 32 113.570 118.985 -5.415 1
1 42 . 8 1 1 A 6 6 LEU H H 33 8.100 8.904 -0.804 1
1 43 . 8 1 1 A 6 6 LEU HA H 33 4.490 4.688 -0.198 1
1 53 . 8 1 1 A 6 6 LEU C C 33 172.440 174.999 -2.559 1
1 54 . 8 1 1 A 6 6 LEU CA C 33 53.430 53.508 -0.078 1
1 55 . 8 1 1 A 6 6 LEU CB C 33 41.900 41.379 0.521 1
1 59 . 8 1 1 A 6 6 LEU N N 33 125.790 128.484 -2.694 1
1 60 . 8 1 1 A 7 7 PRO HA H 34 4.130 4.499 -0.369 1
1 67 . 8 1 1 A 7 7 PRO CA C 34 63.660 62.940 0.720 1
1 68 . 8 1 1 A 7 7 PRO CB C 34 31.970 31.912 0.058 1
1 71 . 8 1 1 A 8 8 PHE H H 35 7.610 8.367 -0.757 1
1 72 . 8 1 1 A 8 8 PHE HA H 35 4.580 4.815 -0.235 1
1 77 . 8 1 1 A 8 8 PHE C C 35 171.110 174.503 -3.393 1
1 78 . 8 1 1 A 8 8 PHE CA C 35 57.690 56.019 1.671 1
1 79 . 8 1 1 A 8 8 PHE CB C 35 40.850 38.621 2.229 1
1 80 . 8 1 1 A 8 8 PHE N N 35 117.670 117.239 0.431 1
1 81 . 8 1 1 A 9 9 LEU H H 36 8.310 7.776 0.534 1
1 82 . 8 1 1 A 9 9 LEU HA H 36 4.420 4.817 -0.397 1
1 92 . 8 1 1 A 9 9 LEU C C 36 171.050 174.019 -2.969 1
1 93 . 8 1 1 A 9 9 LEU CA C 36 54.770 54.457 0.313 1
1 94 . 8 1 1 A 9 9 LEU CB C 36 44.230 45.189 -0.959 1
1 98 . 8 1 1 A 9 9 LEU N N 36 125.150 122.007 3.143 1
1 99 . 8 1 1 A 10 10 LYS H H 37 8.130 9.342 -1.212 1
1 100 . 8 1 1 A 10 10 LYS HA H 37 5.110 5.105 0.005 1
1 109 . 8 1 1 A 10 10 LYS C C 37 172.470 174.945 -2.475 1
1 110 . 8 1 1 A 10 10 LYS CA C 37 54.730 55.109 -0.379 1
1 111 . 8 1 1 A 10 10 LYS CB C 37 35.010 34.584 0.426 1
1 115 . 8 1 1 A 10 10 LYS N N 37 123.550 128.075 -4.525 1
1 116 . 8 1 1 A 11 11 CYS H H 38 9.240 8.843 0.397 1
1 117 . 8 1 1 A 11 11 CYS HA H 38 4.890 5.435 -0.545 1
1 120 . 8 1 1 A 11 11 CYS C C 38 171.750 172.013 -0.263 1
1 121 . 8 1 1 A 11 11 CYS CA C 38 51.950 54.779 -2.829 1
1 122 . 8 1 1 A 11 11 CYS CB C 38 41.360 45.136 -3.776 1
1 123 . 8 1 1 A 11 11 CYS N N 38 121.580 124.176 -2.596 1
1 124 . 8 1 1 A 12 12 TYR H H 39 8.830 8.935 -0.105 1
1 125 . 8 1 1 A 12 12 TYR HA H 39 4.780 4.681 0.099 1
1 132 . 8 1 1 A 12 12 TYR C C 39 172.260 174.919 -2.659 1
1 133 . 8 1 1 A 12 12 TYR CA C 39 58.500 59.023 -0.523 1
1 134 . 8 1 1 A 12 12 TYR CB C 39 40.900 39.262 1.638 1
1 135 . 8 1 1 A 12 12 TYR N N 39 122.390 125.512 -3.122 1
1 136 . 8 1 1 A 13 13 CYS H H 40 7.690 7.708 -0.018 1
1 137 . 8 1 1 A 13 13 CYS HA H 40 4.420 5.543 -1.123 1
1 140 . 8 1 1 A 13 13 CYS CA C 40 53.850 53.574 0.276 1
1 141 . 8 1 1 A 13 13 CYS CB C 40 48.920 45.720 3.200 1
1 142 . 8 1 1 A 14 14 SER H H 41 7.850 8.555 -0.705 1
1 143 . 8 1 1 A 14 14 SER HA H 41 4.160 4.632 -0.472 1
1 146 . 8 1 1 A 14 14 SER CA C 41 58.450 57.436 1.014 1
1 147 . 8 1 1 A 14 14 SER CB C 41 63.840 65.184 -1.344 1
1 148 . 8 1 1 A 14 14 SER N N 41 117.020 115.955 1.065 1
1 149 . 8 1 1 A 16 16 HIS HA H 43 4.880 4.695 0.185 1
1 152 . 8 1 1 A 16 16 HIS CA C 43 54.770 54.802 -0.032 1
1 153 . 8 1 1 A 16 16 HIS CB C 43 29.490 29.768 -0.278 1
1 154 . 8 1 1 A 17 17 CYS H H 44 8.560 8.397 0.163 1
1 155 . 8 1 1 A 18 18 PRO HA H 45 4.660 4.437 0.223 1
1 160 . 8 1 1 A 18 18 PRO CA C 45 62.500 62.704 -0.204 1
1 161 . 8 1 1 A 18 18 PRO CB C 45 33.140 32.514 0.626 1
1 164 . 8 1 1 A 19 19 ASP H H 46 8.800 8.941 -0.141 1
1 165 . 8 1 1 A 19 19 ASP HA H 46 4.250 4.300 -0.050 1
1 168 . 8 1 1 A 19 19 ASP C C 46 173.430 176.700 -3.270 1
1 169 . 8 1 1 A 19 19 ASP CA C 46 57.190 57.000 0.190 1
1 170 . 8 1 1 A 19 19 ASP CB C 46 40.720 40.652 0.068 1
1 171 . 8 1 1 A 19 19 ASP N N 46 120.170 123.831 -3.661 1
1 172 . 8 1 1 A 20 20 ASP H H 47 8.050 8.231 -0.181 1
1 173 . 8 1 1 A 20 20 ASP HA H 47 4.510 4.624 -0.114 1
1 176 . 8 1 1 A 20 20 ASP C C 47 173.500 175.844 -2.344 1
1 177 . 8 1 1 A 20 20 ASP CA C 47 52.840 53.119 -0.279 1
1 178 . 8 1 1 A 20 20 ASP CB C 47 39.980 39.697 0.283 1
1 179 . 8 1 1 A 20 20 ASP N N 47 114.670 115.192 -0.522 1
1 180 . 8 1 1 A 21 21 ALA H H 48 7.350 7.316 0.034 1
1 181 . 8 1 1 A 21 21 ALA HA H 48 4.280 4.290 -0.010 1
1 185 . 8 1 1 A 21 21 ALA C C 48 174.490 176.509 -2.019 1
1 186 . 8 1 1 A 21 21 ALA CA C 48 53.430 52.182 1.248 1
1 187 . 8 1 1 A 21 21 ALA CB C 48 20.870 20.568 0.302 1
1 188 . 8 1 1 A 21 21 ALA N N 48 122.660 122.168 0.492 1
1 189 . 8 1 1 A 22 22 ILE H H 49 7.960 8.107 -0.147 1
1 190 . 8 1 1 A 22 22 ILE HA H 49 4.240 4.561 -0.321 1
1 199 . 8 1 1 A 22 22 ILE C C 49 173.300 176.286 -2.986 1
1 200 . 8 1 1 A 22 22 ILE CA C 49 60.230 59.241 0.989 1
1 201 . 8 1 1 A 22 22 ILE CB C 49 40.280 40.152 0.128 1
1 205 . 8 1 1 A 22 22 ILE N N 49 119.550 120.011 -0.461 1
1 206 . 8 1 1 A 23 23 ASN H H 50 9.280 9.089 0.191 1
1 207 . 8 1 1 A 23 23 ASN HA H 50 4.290 4.455 -0.165 1
1 212 . 8 1 1 A 23 23 ASN CA C 50 54.660 53.870 0.790 1
1 213 . 8 1 1 A 23 23 ASN CB C 50 37.620 36.164 1.456 1
1 214 . 8 1 1 A 23 23 ASN N N 50 125.470 125.096 0.374 1
1 216 . 8 1 1 A 24 24 ASN H H 51 8.850 8.466 0.384 1
1 217 . 8 1 1 A 24 24 ASN HA H 51 4.070 4.071 -0.001 1
1 222 . 8 1 1 A 24 24 ASN C C 51 170.660 173.520 -2.860 1
1 223 . 8 1 1 A 24 24 ASN CA C 51 56.080 54.402 1.678 1
1 224 . 8 1 1 A 24 24 ASN CB C 51 37.430 36.836 0.594 1
1 226 . 8 1 1 A 25 25 THR H H 52 7.190 7.459 -0.269 1
1 227 . 8 1 1 A 25 25 THR HA H 52 5.370 5.032 0.338 1
1 232 . 8 1 1 A 25 25 THR C C 52 169.910 173.062 -3.152 1
1 233 . 8 1 1 A 25 25 THR CA C 52 59.890 60.028 -0.138 1
1 234 . 8 1 1 A 25 25 THR CB C 52 73.940 72.205 1.735 1
1 236 . 8 1 1 A 25 25 THR N N 52 105.820 105.920 -0.100 1
1 237 . 8 1 1 A 26 26 CYS H H 53 8.960 9.205 -0.245 1
1 238 . 8 1 1 A 26 26 CYS HA H 53 5.000 5.587 -0.587 1
1 241 . 8 1 1 A 26 26 CYS C C 53 168.780 172.516 -3.736 1
1 242 . 8 1 1 A 26 26 CYS CA C 53 52.560 53.755 -1.195 1
1 243 . 8 1 1 A 26 26 CYS CB C 53 48.650 46.211 2.439 1
1 244 . 8 1 1 A 26 26 CYS N N 53 116.070 120.454 -4.384 1
1 245 . 8 1 1 A 27 27 ILE H H 54 8.530 8.395 0.135 1
1 246 . 8 1 1 A 27 27 ILE HA H 54 5.210 4.997 0.213 1
1 256 . 8 1 1 A 27 27 ILE C C 54 173.400 174.860 -1.460 1
1 257 . 8 1 1 A 27 27 ILE CA C 54 59.200 60.240 -1.040 1
1 258 . 8 1 1 A 27 27 ILE CB C 54 40.220 40.054 0.166 1
1 262 . 8 1 1 A 27 27 ILE N N 54 120.170 122.359 -2.189 1
1 263 . 8 1 1 A 28 28 THR H H 55 9.200 8.759 0.441 1
1 264 . 8 1 1 A 28 28 THR HA H 55 4.800 5.170 -0.370 1
1 269 . 8 1 1 A 28 28 THR C C 55 168.370 172.546 -4.176 1
1 270 . 8 1 1 A 28 28 THR CA C 55 60.060 59.686 0.374 1
1 271 . 8 1 1 A 28 28 THR CB C 55 70.490 71.329 -0.839 1
1 273 . 8 1 1 A 28 28 THR N N 55 120.750 120.563 0.187 1
1 274 . 8 1 1 A 29 29 ASN H H 56 8.000 8.408 -0.408 1
1 275 . 8 1 1 A 29 29 ASN HA H 56 4.920 4.807 0.113 1
1 280 . 8 1 1 A 29 29 ASN C C 56 172.880 175.395 -2.515 1
1 281 . 8 1 1 A 29 29 ASN CA C 56 52.620 51.475 1.145 1
1 282 . 8 1 1 A 29 29 ASN CB C 56 38.920 38.010 0.910 1
1 283 . 8 1 1 A 29 29 ASN N N 56 120.880 123.483 -2.603 1
1 285 . 8 1 1 A 30 30 GLY H H 57 8.510 7.613 0.897 1
1 286 . 8 1 1 A 30 30 GLY HA2 H 57 4.140 3.672 0.468 1
1 287 . 8 1 1 A 30 30 GLY HA3 H 57 3.960 3.767 0.193 1
1 288 . 8 1 1 A 30 30 GLY C C 57 169.020 172.722 -3.702 1
1 289 . 8 1 1 A 30 30 GLY CA C 57 45.800 45.053 0.747 1
1 290 . 8 1 1 A 30 30 GLY N N 57 111.380 109.261 2.119 1
1 291 . 8 1 1 A 31 31 HIS H H 58 8.560 7.597 0.963 1
1 292 . 8 1 1 A 31 31 HIS HA H 58 4.710 5.256 -0.546 1
1 295 . 8 1 1 A 31 31 HIS C C 58 171.200 173.863 -2.663 1
1 296 . 8 1 1 A 31 31 HIS CA C 58 56.140 54.639 1.501 1
1 297 . 8 1 1 A 31 31 HIS CB C 58 34.650 34.131 0.519 1
1 298 . 8 1 1 A 31 31 HIS N N 58 120.870 115.936 4.934 1
1 299 . 8 1 1 A 32 32 CYS H H 59 8.710 8.498 0.212 1
1 300 . 8 1 1 A 32 32 CYS HA H 59 5.700 5.277 0.423 1
1 303 . 8 1 1 A 32 32 CYS C C 59 173.470 173.331 0.139 1
1 304 . 8 1 1 A 32 32 CYS CA C 59 52.340 55.027 -2.687 1
1 305 . 8 1 1 A 32 32 CYS CB C 59 36.950 44.420 -7.470 1
1 306 . 8 1 1 A 32 32 CYS N N 59 117.290 119.510 -2.220 1
1 307 . 8 1 1 A 33 33 PHE H H 60 8.700 8.411 0.289 1
1 308 . 8 1 1 A 33 33 PHE HA H 60 6.110 5.721 0.389 1
1 316 . 8 1 1 A 33 33 PHE C C 60 172.200 172.850 -0.650 1
1 317 . 8 1 1 A 33 33 PHE CA C 60 56.630 55.442 1.188 1
1 318 . 8 1 1 A 33 33 PHE CB C 60 44.830 42.549 2.281 1
1 319 . 8 1 1 A 33 33 PHE N N 60 116.070 120.098 -4.028 1
1 320 . 8 1 1 A 34 34 ALA H H 61 9.200 8.424 0.776 1
1 321 . 8 1 1 A 34 34 ALA HA H 61 5.000 4.934 0.066 1
1 325 . 8 1 1 A 34 34 ALA C C 61 171.610 175.725 -4.115 1
1 326 . 8 1 1 A 34 34 ALA CA C 61 52.320 51.462 0.858 1
1 327 . 8 1 1 A 34 34 ALA CB C 61 23.950 23.541 0.409 1
1 328 . 8 1 1 A 34 34 ALA N N 61 125.170 121.058 4.112 1
1 329 . 8 1 1 A 35 35 ILE H H 62 9.470 8.629 0.841 1
1 330 . 8 1 1 A 35 35 ILE HA H 62 5.350 4.919 0.431 1
1 340 . 8 1 1 A 35 35 ILE C C 62 170.850 173.227 -2.377 1
1 341 . 8 1 1 A 35 35 ILE CA C 62 59.260 59.616 -0.356 1
1 342 . 8 1 1 A 35 35 ILE CB C 62 43.660 42.361 1.299 1
1 346 . 8 1 1 A 35 35 ILE N N 62 120.630 119.254 1.376 1
1 347 . 8 1 1 A 36 36 ILE H H 63 8.500 8.871 -0.371 1
1 348 . 8 1 1 A 36 36 ILE HA H 63 5.240 5.223 0.017 1
1 358 . 8 1 1 A 36 36 ILE C C 63 170.510 173.138 -2.628 1
1 359 . 8 1 1 A 36 36 ILE CA C 63 59.130 59.221 -0.091 1
1 360 . 8 1 1 A 36 36 ILE CB C 63 41.670 42.451 -0.781 1
1 364 . 8 1 1 A 36 36 ILE N N 63 125.830 126.103 -0.273 1
1 365 . 8 1 1 A 37 37 GLU H H 64 8.450 8.757 -0.307 1
1 366 . 8 1 1 A 37 37 GLU HA H 64 5.010 4.890 0.120 1
1 371 . 8 1 1 A 37 37 GLU C C 64 171.410 174.343 -2.933 1
1 372 . 8 1 1 A 37 37 GLU CA C 64 54.830 55.072 -0.242 1
1 373 . 8 1 1 A 37 37 GLU CB C 64 34.320 34.314 0.006 1
1 375 . 8 1 1 A 37 37 GLU N N 64 124.570 126.881 -2.311 1
1 376 . 8 1 1 A 38 38 GLU H H 65 8.300 8.510 -0.210 1
1 377 . 8 1 1 A 38 38 GLU HA H 65 5.040 4.956 0.084 1
1 382 . 8 1 1 A 38 38 GLU C C 65 172.920 175.933 -3.013 1
1 383 . 8 1 1 A 38 38 GLU CA C 65 54.760 55.086 -0.326 1
1 384 . 8 1 1 A 38 38 GLU CB C 65 33.470 31.653 1.817 1
1 386 . 8 1 1 A 38 38 GLU N N 65 123.960 123.713 0.247 1
1 387 . 8 1 1 A 39 39 ASP H H 66 8.470 8.313 0.157 1
1 388 . 8 1 1 A 39 39 ASP HA H 66 4.750 4.896 -0.146 1
1 391 . 8 1 1 A 39 39 ASP C C 66 174.940 177.097 -2.157 1
1 392 . 8 1 1 A 39 39 ASP CA C 66 52.890 52.496 0.394 1
1 393 . 8 1 1 A 39 39 ASP CB C 66 41.990 41.420 0.570 1
1 394 . 8 1 1 A 39 39 ASP N N 66 124.870 126.804 -1.934 1
1 395 . 8 1 1 A 40 40 ASP H H 67 8.380 8.752 -0.372 1
1 396 . 8 1 1 A 40 40 ASP HA H 67 4.310 4.263 0.047 1
1 399 . 8 1 1 A 40 40 ASP C C 67 174.210 177.364 -3.154 1
1 400 . 8 1 1 A 40 40 ASP CA C 67 56.350 56.648 -0.298 1
1 401 . 8 1 1 A 40 40 ASP CB C 67 40.510 40.469 0.041 1
1 402 . 8 1 1 A 40 40 ASP N N 67 116.220 118.595 -2.375 1
1 403 . 8 1 1 A 41 41 GLN H H 68 8.200 7.804 0.396 1
1 404 . 8 1 1 A 41 41 GLN HA H 68 4.380 4.369 0.011 1
1 411 . 8 1 1 A 41 41 GLN C C 68 173.740 176.434 -2.694 1
1 412 . 8 1 1 A 41 41 GLN CA C 68 55.590 55.613 -0.023 1
1 413 . 8 1 1 A 41 41 GLN CB C 68 29.780 29.457 0.323 1
1 415 . 8 1 1 A 41 41 GLN N N 68 117.190 116.678 0.512 1
1 417 . 8 1 1 A 42 42 GLY H H 69 8.000 8.203 -0.203 1
1 418 . 8 1 1 A 42 42 GLY HA2 H 69 3.630 3.900 -0.270 1
1 419 . 8 1 1 A 42 42 GLY HA3 H 69 4.140 3.902 0.238 1
1 420 . 8 1 1 A 42 42 GLY C C 69 171.650 174.236 -2.586 1
1 421 . 8 1 1 A 42 42 GLY CA C 69 45.730 45.643 0.087 1
1 422 . 8 1 1 A 42 42 GLY N N 69 108.130 108.525 -0.395 1
1 423 . 8 1 1 A 43 43 GLU H H 70 8.410 7.566 0.844 1
1 424 . 8 1 1 A 43 43 GLU HA H 70 4.450 4.599 -0.149 1
1 429 . 8 1 1 A 43 43 GLU C C 70 173.970 176.480 -2.510 1
1 430 . 8 1 1 A 43 43 GLU CA C 70 56.020 55.234 0.786 1
1 431 . 8 1 1 A 43 43 GLU CB C 70 30.300 31.062 -0.762 1
1 433 . 8 1 1 A 43 43 GLU N N 70 122.300 119.757 2.543 1
1 434 . 8 1 1 A 44 44 THR H H 71 8.620 8.503 0.117 1
1 435 . 8 1 1 A 44 44 THR HA H 71 5.210 5.203 0.007 1
1 440 . 8 1 1 A 44 44 THR C C 71 172.160 173.942 -1.782 1
1 441 . 8 1 1 A 44 44 THR CA C 71 61.600 60.676 0.924 1
1 442 . 8 1 1 A 44 44 THR CB C 71 71.000 70.127 0.873 1
1 444 . 8 1 1 A 44 44 THR N N 71 117.330 113.604 3.726 1
1 445 . 8 1 1 A 45 45 THR H H 72 8.760 8.658 0.102 1
1 446 . 8 1 1 A 45 45 THR HA H 72 4.500 5.079 -0.579 1
1 451 . 8 1 1 A 45 45 THR C C 72 169.600 173.579 -3.979 1
1 452 . 8 1 1 A 45 45 THR CA C 72 61.270 60.546 0.724 1
1 453 . 8 1 1 A 45 45 THR CB C 72 72.320 70.039 2.281 1
1 455 . 8 1 1 A 45 45 THR N N 72 117.840 117.469 0.371 1
1 456 . 8 1 1 A 46 46 LEU H H 73 8.400 9.194 -0.794 1
1 457 . 8 1 1 A 46 46 LEU HA H 73 5.250 5.078 0.172 1
1 464 . 8 1 1 A 46 46 LEU C C 73 173.150 175.585 -2.435 1
1 465 . 8 1 1 A 46 46 LEU CA C 73 54.300 53.825 0.475 1
1 466 . 8 1 1 A 46 46 LEU CB C 73 44.860 43.206 1.654 1
1 470 . 8 1 1 A 46 46 LEU N N 73 126.020 127.604 -1.584 1
1 471 . 8 1 1 A 47 47 ALA HA H 74 4.760 5.199 -0.439 1
1 475 . 8 1 1 A 47 47 ALA C C 74 172.740 175.526 -2.786 1
1 476 . 8 1 1 A 47 47 ALA CA C 74 51.440 50.738 0.702 1
1 477 . 8 1 1 A 47 47 ALA CB C 74 23.350 23.467 -0.117 1
1 478 . 8 1 1 A 48 48 SER H H 75 8.700 8.703 -0.003 1
1 479 . 8 1 1 A 48 48 SER HA H 75 4.500 4.666 -0.166 1
1 482 . 8 1 1 A 48 48 SER C C 75 171.590 172.903 -1.313 1
1 483 . 8 1 1 A 48 48 SER CA C 75 57.740 56.412 1.328 1
1 484 . 8 1 1 A 48 48 SER CB C 75 65.700 66.024 -0.324 1
1 485 . 8 1 1 A 48 48 SER N N 75 111.400 114.142 -2.742 1
1 486 . 8 1 1 A 49 49 GLY H H 76 6.440 7.244 -0.804 1
1 487 . 8 1 1 A 49 49 GLY HA2 H 76 3.850 3.844 0.006 1
1 488 . 8 1 1 A 49 49 GLY HA3 H 76 3.730 3.858 -0.128 1
1 489 . 8 1 1 A 49 49 GLY C C 76 167.890 171.209 -3.319 1
1 490 . 8 1 1 A 49 49 GLY CA C 76 47.420 45.838 1.582 1
1 491 . 8 1 1 A 49 49 GLY N N 76 105.480 105.438 0.042 1
1 492 . 8 1 1 A 50 50 CYS H H 77 8.740 8.331 0.409 1
1 493 . 8 1 1 A 50 50 CYS HA H 77 4.950 5.379 -0.429 1
1 496 . 8 1 1 A 50 50 CYS C C 77 170.670 172.602 -1.932 1
1 497 . 8 1 1 A 50 50 CYS CA C 77 60.030 55.153 4.877 1
1 498 . 8 1 1 A 50 50 CYS CB C 77 46.100 43.674 2.426 1
1 499 . 8 1 1 A 50 50 CYS N N 77 118.960 119.987 -1.027 1
1 500 . 8 1 1 A 51 51 MET H H 78 9.240 9.131 0.109 1
1 501 . 8 1 1 A 51 51 MET HA H 78 4.760 5.113 -0.353 1
1 509 . 8 1 1 A 51 51 MET C C 78 171.990 175.917 -3.927 1
1 510 . 8 1 1 A 51 51 MET CA C 78 54.630 54.043 0.587 1
1 511 . 8 1 1 A 51 51 MET CB C 78 35.810 35.487 0.323 1
1 514 . 8 1 1 A 51 51 MET N N 78 122.340 125.947 -3.607 1
1 515 . 8 1 1 A 52 52 LYS H H 79 8.430 8.294 0.136 1
1 516 . 8 1 1 A 52 52 LYS HA H 79 4.160 4.216 -0.056 1
1 525 . 8 1 1 A 52 52 LYS C C 79 173.040 175.802 -2.762 1
1 526 . 8 1 1 A 52 52 LYS CA C 79 57.120 55.864 1.256 1
1 527 . 8 1 1 A 52 52 LYS CB C 79 33.720 32.781 0.939 1
1 531 . 8 1 1 A 52 52 LYS N N 79 125.030 122.297 2.733 1
1 532 . 8 1 1 A 53 53 TYR H H 80 8.400 8.681 -0.281 1
1 533 . 8 1 1 A 53 53 TYR HA H 80 4.200 4.283 -0.083 1
1 536 . 8 1 1 A 53 53 TYR C C 80 173.370 175.297 -1.927 1
1 537 . 8 1 1 A 53 53 TYR CA C 80 59.910 59.218 0.692 1
1 538 . 8 1 1 A 53 53 TYR CB C 80 39.000 39.124 -0.124 1
1 539 . 8 1 1 A 53 53 TYR N N 80 121.420 120.819 0.601 1
1 540 . 8 1 1 A 54 54 GLU H H 81 8.490 8.322 0.168 1
1 541 . 8 1 1 A 54 54 GLU HA H 81 4.170 4.527 -0.357 1
1 545 . 8 1 1 A 54 54 GLU C C 81 173.240 176.152 -2.912 1
1 546 . 8 1 1 A 54 54 GLU CA C 81 56.440 56.640 -0.200 1
1 547 . 8 1 1 A 54 54 GLU CB C 81 30.860 32.033 -1.173 1
1 549 . 8 1 1 A 54 54 GLU N N 81 123.790 123.954 -0.164 1
1 550 . 8 1 1 A 55 55 GLY H H 82 7.200 6.807 0.393 1
1 551 . 8 1 1 A 55 55 GLY HA2 H 82 4.050 3.838 0.212 1
1 552 . 8 1 1 A 55 55 GLY HA3 H 82 3.690 3.848 -0.158 1
1 553 . 8 1 1 A 55 55 GLY C C 82 171.520 174.063 -2.543 1
1 554 . 8 1 1 A 55 55 GLY CA C 82 45.680 45.290 0.390 1
1 555 . 8 1 1 A 55 55 GLY N N 82 108.400 105.213 3.187 1
1 556 . 8 1 1 A 56 56 SER H H 83 8.140 8.774 -0.634 1
1 557 . 8 1 1 A 56 56 SER HA H 83 4.280 4.388 -0.108 1
1 560 . 8 1 1 A 56 56 SER C C 83 171.900 175.407 -3.507 1
1 561 . 8 1 1 A 56 56 SER CA C 83 59.270 59.407 -0.137 1
1 562 . 8 1 1 A 56 56 SER CB C 83 63.960 63.066 0.894 1
1 563 . 8 1 1 A 56 56 SER N N 83 114.650 116.910 -2.260 1
1 564 . 8 1 1 A 57 57 ASP H H 84 8.340 8.004 0.336 1
1 565 . 8 1 1 A 57 57 ASP HA H 84 4.430 4.621 -0.191 1
1 568 . 8 1 1 A 57 57 ASP C C 84 173.100 177.124 -4.024 1
1 569 . 8 1 1 A 57 57 ASP CA C 84 54.950 56.379 -1.429 1
1 570 . 8 1 1 A 57 57 ASP CB C 84 40.840 41.960 -1.120 1
1 571 . 8 1 1 A 57 57 ASP N N 84 121.230 120.036 1.194 1
1 572 . 8 1 1 A 58 58 PHE H H 85 7.730 7.502 0.228 1
1 573 . 8 1 1 A 58 58 PHE HA H 85 4.260 4.767 -0.507 1
1 581 . 8 1 1 A 58 58 PHE C C 85 172.590 174.575 -1.985 1
1 582 . 8 1 1 A 58 58 PHE CA C 85 58.520 55.040 3.480 1
1 583 . 8 1 1 A 58 58 PHE CB C 85 39.840 38.778 1.062 1
1 584 . 8 1 1 A 58 58 PHE N N 85 118.920 114.520 4.400 1
1 585 . 8 1 1 A 59 59 GLN H H 86 7.790 8.500 -0.710 1
1 586 . 8 1 1 A 59 59 GLN HA H 86 4.070 3.987 0.083 1
1 593 . 8 1 1 A 59 59 GLN C C 86 172.550 173.925 -1.375 1
1 594 . 8 1 1 A 59 59 GLN CA C 86 56.000 55.308 0.692 1
1 595 . 8 1 1 A 59 59 GLN CB C 86 30.600 26.262 4.338 1
1 597 . 8 1 1 A 59 59 GLN N N 86 120.280 123.624 -3.344 1
1 599 . 8 1 1 A 60 60 CYS H H 87 8.100 7.943 0.157 1
1 600 . 8 1 1 A 60 60 CYS HA H 87 4.140 4.847 -0.707 1
1 603 . 8 1 1 A 60 60 CYS C C 87 170.910 172.207 -1.297 1
1 604 . 8 1 1 A 60 60 CYS CA C 87 56.810 55.329 1.481 1
1 605 . 8 1 1 A 60 60 CYS CB C 87 40.780 45.463 -4.683 1
1 606 . 8 1 1 A 60 60 CYS N N 87 118.790 120.495 -1.705 1
1 607 . 8 1 1 A 61 61 LYS H H 88 7.610 8.643 -1.033 1
1 608 . 8 1 1 A 61 61 LYS HA H 88 4.280 4.619 -0.339 1
1 617 . 8 1 1 A 61 61 LYS C C 88 172.330 175.705 -3.375 1
1 618 . 8 1 1 A 61 61 LYS CA C 88 56.210 56.312 -0.102 1
1 619 . 8 1 1 A 61 61 LYS CB C 88 34.210 32.759 1.451 1
1 623 . 8 1 1 A 61 61 LYS N N 88 120.330 126.692 -6.362 1
1 624 . 8 1 1 A 62 62 ASP H H 89 8.180 8.727 -0.547 1
1 625 . 8 1 1 A 62 62 ASP HA H 89 4.500 5.266 -0.766 1
1 628 . 8 1 1 A 62 62 ASP C C 89 172.970 174.977 -2.007 1
1 629 . 8 1 1 A 62 62 ASP CA C 89 54.200 53.254 0.946 1
1 630 . 8 1 1 A 62 62 ASP CB C 89 42.090 43.365 -1.275 1
1 631 . 8 1 1 A 62 62 ASP N N 89 121.190 124.729 -3.539 1
1 632 . 8 1 1 A 63 63 SER H H 90 8.190 8.911 -0.721 1
1 633 . 8 1 1 A 63 63 SER HA H 90 4.640 4.749 -0.109 1
1 636 . 8 1 1 A 63 63 SER C C 90 170.240 173.679 -3.439 1
1 637 . 8 1 1 A 63 63 SER CA C 90 56.600 56.493 0.107 1
1 638 . 8 1 1 A 63 63 SER CB C 90 63.770 63.581 0.189 1
1 639 . 8 1 1 A 63 63 SER N N 90 116.710 121.325 -4.615 1
1 640 . 8 1 1 A 64 64 PRO HA H 91 4.350 4.641 -0.291 1
1 647 . 8 1 1 A 64 64 PRO CA C 91 63.800 62.501 1.299 1
1 648 . 8 1 1 A 64 64 PRO CB C 91 32.410 29.198 3.212 1
1 651 . 8 1 1 A 65 65 LYS H H 92 8.240 8.119 0.121 1
1 652 . 8 1 1 A 65 65 LYS HA H 92 4.210 4.569 -0.359 1
1 661 . 8 1 1 A 65 65 LYS C C 92 173.330 174.445 -1.115 1
1 662 . 8 1 1 A 65 65 LYS CA C 92 56.410 55.484 0.926 1
1 663 . 8 1 1 A 65 65 LYS CB C 92 33.230 33.026 0.204 1
1 667 . 8 1 1 A 65 65 LYS N N 92 120.180 122.130 -1.950 1
1 668 . 8 1 1 A 66 66 ALA H H 93 8.040 7.582 0.458 1
1 669 . 8 1 1 A 66 66 ALA HA H 93 4.210 4.700 -0.490 1
1 673 . 8 1 1 A 66 66 ALA C C 93 174.580 175.402 -0.822 1
1 674 . 8 1 1 A 66 66 ALA CA C 93 53.020 51.690 1.330 1
1 675 . 8 1 1 A 66 66 ALA CB C 93 19.760 21.887 -2.127 1
1 676 . 8 1 1 A 66 66 ALA N N 93 124.050 123.016 1.034 1
1 677 . 8 1 1 A 67 67 GLN H H 94 8.320 9.027 -0.707 1
1 678 . 8 1 1 A 67 67 GLN HA H 94 4.190 4.611 -0.421 1
1 685 . 8 1 1 A 67 67 GLN C C 94 172.780 174.319 -1.539 1
1 686 . 8 1 1 A 67 67 GLN CA C 94 56.750 54.562 2.188 1
1 687 . 8 1 1 A 67 67 GLN CB C 94 29.100 28.524 0.576 1
1 689 . 8 1 1 A 67 67 GLN N N 94 117.930 124.251 -6.321 1
1 691 . 8 1 1 A 68 68 LEU H H 95 7.730 7.627 0.103 1
1 692 . 8 1 1 A 68 68 LEU HA H 95 4.360 5.261 -0.901 1
1 702 . 8 1 1 A 68 68 LEU C C 95 174.270 175.202 -0.932 1
1 703 . 8 1 1 A 68 68 LEU CA C 95 54.970 53.599 1.371 1
1 704 . 8 1 1 A 68 68 LEU CB C 95 43.120 45.947 -2.827 1
1 708 . 8 1 1 A 68 68 LEU N N 95 120.470 125.733 -5.263 1
1 709 . 8 1 1 A 69 69 ARG H H 96 8.600 8.646 -0.046 1
1 710 . 8 1 1 A 69 69 ARG HA H 96 4.230 4.594 -0.364 1
1 718 . 8 1 1 A 69 69 ARG C C 96 171.700 175.708 -4.008 1
1 719 . 8 1 1 A 69 69 ARG CA C 96 56.570 56.457 0.113 1
1 720 . 8 1 1 A 69 69 ARG CB C 96 30.660 30.673 -0.013 1
1 723 . 8 1 1 A 69 69 ARG N N 96 121.670 127.865 -6.195 1
1 725 . 8 1 1 A 70 70 ARG H H 97 7.800 8.635 -0.835 1
1 726 . 8 1 1 A 70 70 ARG HA H 97 5.170 5.195 -0.025 1
1 734 . 8 1 1 A 70 70 ARG C C 97 172.120 173.473 -1.353 1
1 735 . 8 1 1 A 70 70 ARG CA C 97 55.260 54.758 0.502 1
1 736 . 8 1 1 A 70 70 ARG CB C 97 34.040 34.199 -0.159 1
1 739 . 8 1 1 A 70 70 ARG N N 97 120.130 123.403 -3.273 1
1 741 . 8 1 1 A 71 71 THR H H 98 8.610 8.200 0.410 1
1 742 . 8 1 1 A 71 71 THR HA H 98 4.600 5.257 -0.657 1
1 747 . 8 1 1 A 71 71 THR C C 98 169.250 173.564 -4.314 1
1 748 . 8 1 1 A 71 71 THR CA C 98 62.030 61.440 0.590 1
1 749 . 8 1 1 A 71 71 THR CB C 98 71.970 72.025 -0.055 1
1 751 . 8 1 1 A 71 71 THR N N 98 118.550 113.587 4.963 1
1 752 . 8 1 1 A 72 72 ILE H H 99 8.520 8.707 -0.187 1
1 753 . 8 1 1 A 72 72 ILE HA H 99 5.080 5.076 0.004 1
1 763 . 8 1 1 A 72 72 ILE C C 99 170.930 172.961 -2.031 1
1 764 . 8 1 1 A 72 72 ILE CA C 99 59.370 59.357 0.013 1
1 765 . 8 1 1 A 72 72 ILE CB C 99 42.140 42.385 -0.245 1
1 769 . 8 1 1 A 72 72 ILE N N 99 125.230 122.873 2.357 1
1 770 . 8 1 1 A 73 73 GLU H H 100 8.860 8.623 0.237 1
1 771 . 8 1 1 A 73 73 GLU HA H 100 4.670 5.122 -0.452 1
1 776 . 8 1 1 A 73 73 GLU C C 100 172.200 174.887 -2.687 1
1 777 . 8 1 1 A 73 73 GLU CA C 100 55.840 54.994 0.846 1
1 778 . 8 1 1 A 73 73 GLU CB C 100 34.410 34.146 0.264 1
1 780 . 8 1 1 A 73 73 GLU N N 100 125.680 125.708 -0.028 1
1 781 . 8 1 1 A 74 74 CYS H H 101 8.830 9.042 -0.212 1
1 782 . 8 1 1 A 74 74 CYS HA H 101 5.790 5.564 0.226 1
1 785 . 8 1 1 A 74 74 CYS C C 101 170.360 172.531 -2.171 1
1 786 . 8 1 1 A 74 74 CYS CA C 101 55.010 54.466 0.544 1
1 787 . 8 1 1 A 74 74 CYS CB C 101 45.320 45.865 -0.545 1
1 788 . 8 1 1 A 74 74 CYS N N 101 119.260 117.370 1.890 1
1 789 . 8 1 1 A 75 75 CYS H H 102 9.130 8.558 0.572 1
1 790 . 8 1 1 A 75 75 CYS HA H 102 5.000 5.164 -0.164 1
1 793 . 8 1 1 A 75 75 CYS C C 102 170.670 171.748 -1.078 1
1 794 . 8 1 1 A 75 75 CYS CA C 102 56.180 55.347 0.833 1
1 795 . 8 1 1 A 75 75 CYS CB C 102 46.090 46.271 -0.181 1
1 796 . 8 1 1 A 75 75 CYS N N 102 116.460 118.786 -2.326 1
1 797 . 8 1 1 A 76 76 ARG H H 103 9.240 8.984 0.256 1
1 798 . 8 1 1 A 76 76 ARG HA H 103 4.800 4.694 0.106 1
1 806 . 8 1 1 A 76 76 ARG C C 103 172.120 174.591 -2.471 1
1 807 . 8 1 1 A 76 76 ARG CA C 103 56.230 55.227 1.003 1
1 808 . 8 1 1 A 76 76 ARG CB C 103 32.610 29.700 2.910 1
1 811 . 8 1 1 A 76 76 ARG N N 103 122.520 124.982 -2.462 1
1 813 . 8 1 1 A 77 77 THR H H 104 7.440 7.744 -0.304 1
1 814 . 8 1 1 A 77 77 THR HA H 104 4.600 5.130 -0.530 1
1 819 . 8 1 1 A 77 77 THR C C 104 171.890 173.406 -1.516 1
1 820 . 8 1 1 A 77 77 THR CA C 104 61.270 59.543 1.727 1
1 821 . 8 1 1 A 77 77 THR CB C 104 72.490 72.129 0.361 1
1 823 . 8 1 1 A 77 77 THR N N 104 109.730 112.384 -2.654 1
1 824 . 8 1 1 A 78 78 ASN H H 105 8.590 8.670 -0.080 1
1 825 . 8 1 1 A 78 78 ASN HA H 105 4.790 4.677 0.113 1
1 830 . 8 1 1 A 78 78 ASN C C 105 174.150 175.292 -1.142 1
1 831 . 8 1 1 A 78 78 ASN CA C 105 55.870 54.183 1.687 1
1 832 . 8 1 1 A 78 78 ASN CB C 105 39.260 38.238 1.022 1
1 833 . 8 1 1 A 78 78 ASN N N 105 119.360 119.580 -0.220 1
1 835 . 8 1 1 A 79 79 LEU H H 106 9.980 8.790 1.190 1
1 836 . 8 1 1 A 79 79 LEU HA H 106 3.680 3.908 -0.228 1
1 846 . 8 1 1 A 79 79 LEU C C 106 175.050 177.516 -2.466 1
1 847 . 8 1 1 A 79 79 LEU CA C 106 56.790 56.081 0.709 1
1 848 . 8 1 1 A 79 79 LEU CB C 106 38.920 39.336 -0.416 1
1 852 . 8 1 1 A 79 79 LEU N N 106 118.230 117.744 0.486 1
1 853 . 8 1 1 A 80 80 CYS H H 107 8.250 8.033 0.217 1
1 854 . 8 1 1 A 80 80 CYS HA H 107 4.320 4.424 -0.104 1
1 857 . 8 1 1 A 80 80 CYS C C 107 172.470 175.084 -2.614 1
1 858 . 8 1 1 A 80 80 CYS CA C 107 58.370 58.703 -0.333 1
1 859 . 8 1 1 A 80 80 CYS CB C 107 46.090 42.137 3.953 1
1 860 . 8 1 1 A 80 80 CYS N N 107 115.460 116.197 -0.737 1
1 861 . 8 1 1 A 81 81 ASN H H 108 8.590 7.952 0.638 1
1 862 . 8 1 1 A 81 81 ASN HA H 108 4.430 4.635 -0.205 1
1 867 . 8 1 1 A 81 81 ASN C C 108 172.210 177.403 -5.193 1
1 868 . 8 1 1 A 81 81 ASN CA C 108 53.320 54.824 -1.504 1
1 869 . 8 1 1 A 81 81 ASN CB C 108 37.290 38.507 -1.217 1
1 870 . 8 1 1 A 81 81 ASN N N 108 118.040 119.789 -1.749 1
1 872 . 8 1 1 A 82 82 GLN H H 109 7.490 8.073 -0.583 1
1 873 . 8 1 1 A 82 82 GLN HA H 109 3.380 3.569 -0.189 1
1 880 . 8 1 1 A 82 82 GLN C C 109 172.300 176.827 -4.527 1
1 881 . 8 1 1 A 82 82 GLN CA C 109 58.940 58.230 0.710 1
1 882 . 8 1 1 A 82 82 GLN CB C 109 28.770 27.765 1.005 1
1 884 . 8 1 1 A 82 82 GLN N N 109 121.350 119.963 1.387 1
1 886 . 8 1 1 A 83 83 TYR H H 110 7.830 7.655 0.175 1
1 887 . 8 1 1 A 83 83 TYR HA H 110 4.590 4.648 -0.058 1
1 892 . 8 1 1 A 83 83 TYR CA C 110 56.490 57.380 -0.890 1
1 893 . 8 1 1 A 83 83 TYR CB C 110 38.400 38.073 0.327 1
1 894 . 8 1 1 A 83 83 TYR N N 110 114.600 116.433 -1.833 1
1 895 . 8 1 1 A 84 84 LEU H H 111 6.610 7.353 -0.743 1
1 896 . 8 1 1 A 84 84 LEU HA H 111 4.170 4.958 -0.788 1
1 905 . 8 1 1 A 84 84 LEU C C 111 172.880 174.782 -1.902 1
1 906 . 8 1 1 A 84 84 LEU CA C 111 55.250 53.555 1.695 1
1 907 . 8 1 1 A 84 84 LEU CB C 111 43.400 44.900 -1.500 1
1 911 . 8 1 1 A 84 84 LEU N N 111 120.140 121.917 -1.777 1
1 912 . 8 1 1 A 85 85 GLN H H 112 8.780 8.920 -0.140 1
1 913 . 8 1 1 A 85 85 GLN HA H 112 4.570 4.836 -0.266 1
1 920 . 8 1 1 A 85 85 GLN C C 112 169.480 174.444 -4.964 1
1 921 . 8 1 1 A 85 85 GLN CA C 112 53.110 52.769 0.341 1
1 922 . 8 1 1 A 85 85 GLN CB C 112 30.000 30.109 -0.109 1
1 924 . 8 1 1 A 85 85 GLN N N 112 122.790 127.735 -4.945 1
1 926 . 8 1 1 A 86 86 PRO HA H 113 4.400 4.901 -0.501 1
1 931 . 8 1 1 A 86 86 PRO CA C 113 63.040 62.538 0.502 1
1 932 . 8 1 1 A 86 86 PRO CB C 113 32.400 32.286 0.114 1
1 935 . 8 1 1 A 87 87 THR H H 114 8.180 8.497 -0.317 1
1 936 . 8 1 1 A 87 87 THR HA H 114 4.400 5.044 -0.644 1
1 941 . 8 1 1 A 87 87 THR C C 114 172.180 172.959 -0.779 1
1 942 . 8 1 1 A 87 87 THR CA C 114 60.960 59.742 1.218 1
1 943 . 8 1 1 A 87 87 THR CB C 114 71.290 72.126 -0.836 1
1 945 . 8 1 1 A 87 87 THR N N 114 111.930 112.590 -0.660 1
1 946 . 8 1 1 A 88 88 LEU H H 115 8.580 8.608 -0.028 1
1 947 . 8 1 1 A 88 88 LEU HA H 115 4.300 4.858 -0.558 1
1 956 . 8 1 1 A 88 88 LEU C C 115 171.740 175.373 -3.633 1
1 957 . 8 1 1 A 88 88 LEU CA C 115 53.230 52.667 0.563 1
1 958 . 8 1 1 A 88 88 LEU CB C 115 41.900 42.402 -0.502 1
1 962 . 8 1 1 A 88 88 LEU N N 115 125.290 124.689 0.601 1
1 963 . 8 1 1 A 89 89 PRO HA H 116 4.630 4.664 -0.034 1
1 970 . 8 1 1 A 89 89 PRO CA C 116 61.580 61.447 0.133 1
1 971 . 8 1 1 A 89 89 PRO CB C 116 30.980 31.624 -0.644 1
1 974 . 8 1 1 A 90 90 PRO HA H 117 4.350 4.628 -0.278 1
1 977 . 8 1 1 A 90 90 PRO CA C 117 63.010 62.870 0.140 1
1 978 . 8 1 1 A 90 90 PRO CB C 117 32.300 32.571 -0.271 1
1 981 . 8 1 1 A 91 91 VAL H H 118 8.190 8.524 -0.334 1
1 982 . 8 1 1 A 91 91 VAL HA H 118 3.900 4.593 -0.693 1
1 990 . 8 1 1 A 91 91 VAL C C 118 173.270 174.438 -1.168 1
1 991 . 8 1 1 A 91 91 VAL CA C 118 62.890 60.145 2.745 1
1 992 . 8 1 1 A 91 91 VAL CB C 118 32.980 35.826 -2.846 1
1 994 . 8 1 1 A 91 91 VAL N N 118 120.460 121.345 -0.885 1
1 995 . 8 1 1 A 92 92 VAL H H 119 8.180 8.599 -0.419 1
1 996 . 8 1 1 A 92 92 VAL HA H 119 4.040 4.632 -0.592 1
1 1004 . 8 1 1 A 92 92 VAL C C 119 172.960 175.146 -2.186 1
1 1005 . 8 1 1 A 92 92 VAL CA C 119 62.250 61.951 0.299 1
1 1006 . 8 1 1 A 92 92 VAL CB C 119 33.280 32.315 0.965 1
1 1008 . 8 1 1 A 92 92 VAL N N 119 125.030 123.812 1.218 1
1 1009 . 8 1 1 A 93 93 ILE H H 120 8.220 8.686 -0.466 1
1 1010 . 8 1 1 A 93 93 ILE HA H 120 4.110 4.465 -0.355 1
1 1015 . 8 1 1 A 93 93 ILE C C 120 173.440 175.576 -2.136 1
1 1016 . 8 1 1 A 93 93 ILE CA C 120 61.050 60.352 0.698 1
1 1017 . 8 1 1 A 93 93 ILE CB C 120 39.030 40.530 -1.500 1
1 1021 . 8 1 1 A 93 93 ILE N N 120 125.690 126.207 -0.517 1
1 1022 . 8 1 1 A 94 94 GLY H H 121 8.190 8.770 -0.580 1
1 1023 . 8 1 1 A 94 94 GLY HA2 H 121 4.050 4.142 -0.092 1
1 1024 . 8 1 1 A 94 94 GLY HA3 H 121 3.940 4.152 -0.212 1
1 1025 . 8 1 1 A 94 94 GLY C C 121 169.080 173.663 -4.583 1
1 1026 . 8 1 1 A 94 94 GLY CA C 121 44.850 44.769 0.081 1
1 1027 . 8 1 1 A 94 94 GLY N N 121 113.150 118.270 -5.120 1
1 1028 . 8 1 1 A 95 95 PRO HA H 122 4.270 4.589 -0.319 1
1 1032 . 8 1 1 A 95 95 PRO CA C 122 63.340 63.054 0.286 1
1 1033 . 8 1 1 A 95 95 PRO CB C 122 32.160 32.151 0.009 1
1 1036 . 8 1 1 A 96 96 PHE H H 123 8.140 8.667 -0.527 1
1 1037 . 8 1 1 A 96 96 PHE HA H 123 4.510 4.736 -0.226 1
1 1040 . 8 1 1 A 96 96 PHE C C 123 172.700 175.236 -2.536 1
1 1041 . 8 1 1 A 96 96 PHE CA C 123 58.040 57.524 0.516 1
1 1042 . 8 1 1 A 96 96 PHE CB C 123 39.710 40.140 -0.430 1
1 1043 . 8 1 1 A 96 96 PHE N N 123 119.410 123.918 -4.508 1
1 1044 . 8 1 1 A 97 97 PHE H H 124 8.000 8.478 -0.478 1
1 1045 . 8 1 1 A 97 97 PHE HA H 124 4.490 4.391 0.099 1
1 1048 . 8 1 1 A 97 97 PHE C C 124 172.140 174.991 -2.851 1
1 1049 . 8 1 1 A 97 97 PHE CA C 124 58.000 57.405 0.595 1
1 1050 . 8 1 1 A 97 97 PHE CB C 124 40.140 39.304 0.836 1
1 1051 . 8 1 1 A 97 97 PHE N N 124 122.180 123.392 -1.212 1
1 1052 . 8 1 1 A 98 98 ASP H H 125 8.100 8.772 -0.672 1
1 1053 . 8 1 1 A 98 98 ASP HA H 125 4.400 4.756 -0.356 1
1 1056 . 8 1 1 A 98 98 ASP C C 125 173.870 176.578 -2.708 1
1 1057 . 8 1 1 A 98 98 ASP CA C 125 54.470 53.374 1.096 1
1 1058 . 8 1 1 A 98 98 ASP CB C 125 41.390 41.718 -0.328 1
1 1059 . 8 1 1 A 98 98 ASP N N 125 123.000 122.257 0.743 1
1 1060 . 8 1 1 A 99 99 GLY H H 126 8.010 8.934 -0.924 1
1 1061 . 8 1 1 A 99 99 GLY HA3 H 126 3.860 3.893 -0.033 1
1 1062 . 8 1 1 A 99 99 GLY C C 126 171.640 174.344 -2.704 1
1 1063 . 8 1 1 A 99 99 GLY CA C 126 45.860 46.812 -0.952 1
1 1064 . 8 1 1 A 99 99 GLY N N 126 109.280 110.409 -1.129 1
1 1065 . 8 1 1 A 100 100 SER H H 127 8.110 8.176 -0.066 1
1 1066 . 8 1 1 A 100 100 SER HA H 127 4.320 4.853 -0.533 1
1 1069 . 8 1 1 A 100 100 SER C C 127 171.520 174.106 -2.586 1
1 1070 . 8 1 1 A 100 100 SER CA C 127 59.190 57.609 1.581 1
1 1071 . 8 1 1 A 100 100 SER CB C 127 64.240 64.181 0.059 1
1 1072 . 8 1 1 A 100 100 SER N N 127 115.760 116.105 -0.345 1
1 1073 . 8 1 1 A 101 101 ILE H H 128 7.960 8.714 -0.754 1
1 1074 . 8 1 1 A 101 101 ILE HA H 128 4.110 4.594 -0.484 1
1 1084 . 8 1 1 A 101 101 ILE C C 128 172.590 175.492 -2.902 1
1 1085 . 8 1 1 A 101 101 ILE CA C 128 61.800 60.305 1.495 1
1 1086 . 8 1 1 A 101 101 ILE CB C 128 38.820 38.944 -0.124 1
1 1090 . 8 1 1 A 101 101 ILE N N 128 122.050 126.293 -4.243 1
1 1 . 9 1 1 A 2 2 PRO HA H 29 4.310 4.597 -0.287 1
1 8 . 9 1 1 A 2 2 PRO CA C 29 64.380 63.268 1.112 1
1 9 . 9 1 1 A 2 2 PRO CB C 29 32.300 31.629 0.671 1
1 12 . 9 1 1 A 3 3 GLU H H 30 9.010 8.763 0.247 1
1 13 . 9 1 1 A 3 3 GLU HA H 30 4.170 4.509 -0.339 1
1 18 . 9 1 1 A 3 3 GLU C C 30 173.730 175.586 -1.856 1
1 19 . 9 1 1 A 3 3 GLU CA C 30 57.560 55.991 1.569 1
1 20 . 9 1 1 A 3 3 GLU CB C 30 29.400 29.137 0.263 1
1 22 . 9 1 1 A 3 3 GLU N N 30 118.790 121.963 -3.173 1
1 23 . 9 1 1 A 4 4 ASP H H 31 7.940 7.680 0.260 1
1 24 . 9 1 1 A 4 4 ASP HA H 31 4.560 4.808 -0.248 1
1 27 . 9 1 1 A 4 4 ASP C C 31 173.600 174.587 -0.987 1
1 28 . 9 1 1 A 4 4 ASP CA C 31 54.940 53.602 1.338 1
1 29 . 9 1 1 A 4 4 ASP CB C 31 41.650 39.047 2.603 1
1 30 . 9 1 1 A 4 4 ASP N N 31 119.920 121.891 -1.971 1
1 31 . 9 1 1 A 5 5 THR H H 32 7.810 8.633 -0.823 1
1 32 . 9 1 1 A 5 5 THR HA H 32 4.160 4.941 -0.781 1
1 37 . 9 1 1 A 5 5 THR C C 32 171.630 173.679 -2.049 1
1 38 . 9 1 1 A 5 5 THR CA C 32 62.410 62.109 0.301 1
1 39 . 9 1 1 A 5 5 THR CB C 32 70.040 70.188 -0.148 1
1 41 . 9 1 1 A 5 5 THR N N 32 113.570 121.330 -7.760 1
1 42 . 9 1 1 A 6 6 LEU H H 33 8.100 8.839 -0.739 1
1 43 . 9 1 1 A 6 6 LEU HA H 33 4.490 4.837 -0.347 1
1 53 . 9 1 1 A 6 6 LEU C C 33 172.440 174.352 -1.912 1
1 54 . 9 1 1 A 6 6 LEU CA C 33 53.430 51.437 1.993 1
1 55 . 9 1 1 A 6 6 LEU CB C 33 41.900 45.395 -3.495 1
1 59 . 9 1 1 A 6 6 LEU N N 33 125.790 126.692 -0.902 1
1 60 . 9 1 1 A 7 7 PRO HA H 34 4.130 4.804 -0.674 1
1 67 . 9 1 1 A 7 7 PRO CA C 34 63.660 62.965 0.695 1
1 68 . 9 1 1 A 7 7 PRO CB C 34 31.970 32.590 -0.620 1
1 71 . 9 1 1 A 8 8 PHE H H 35 7.610 8.696 -1.086 1
1 72 . 9 1 1 A 8 8 PHE HA H 35 4.580 4.812 -0.232 1
1 77 . 9 1 1 A 8 8 PHE C C 35 171.110 174.672 -3.562 1
1 78 . 9 1 1 A 8 8 PHE CA C 35 57.690 56.153 1.537 1
1 79 . 9 1 1 A 8 8 PHE CB C 35 40.850 38.816 2.034 1
1 80 . 9 1 1 A 8 8 PHE N N 35 117.670 116.942 0.728 1
1 81 . 9 1 1 A 9 9 LEU H H 36 8.310 7.523 0.787 1
1 82 . 9 1 1 A 9 9 LEU HA H 36 4.420 4.654 -0.234 1
1 92 . 9 1 1 A 9 9 LEU C C 36 171.050 173.941 -2.891 1
1 93 . 9 1 1 A 9 9 LEU CA C 36 54.770 54.390 0.380 1
1 94 . 9 1 1 A 9 9 LEU CB C 36 44.230 45.202 -0.972 1
1 98 . 9 1 1 A 9 9 LEU N N 36 125.150 121.719 3.431 1
1 99 . 9 1 1 A 10 10 LYS H H 37 8.130 9.300 -1.170 1
1 100 . 9 1 1 A 10 10 LYS HA H 37 5.110 5.166 -0.056 1
1 109 . 9 1 1 A 10 10 LYS C C 37 172.470 175.035 -2.565 1
1 110 . 9 1 1 A 10 10 LYS CA C 37 54.730 55.055 -0.325 1
1 111 . 9 1 1 A 10 10 LYS CB C 37 35.010 34.496 0.514 1
1 115 . 9 1 1 A 10 10 LYS N N 37 123.550 128.037 -4.487 1
1 116 . 9 1 1 A 11 11 CYS H H 38 9.240 8.843 0.397 1
1 117 . 9 1 1 A 11 11 CYS HA H 38 4.890 5.359 -0.469 1
1 120 . 9 1 1 A 11 11 CYS C C 38 171.750 171.958 -0.208 1
1 121 . 9 1 1 A 11 11 CYS CA C 38 51.950 54.799 -2.849 1
1 122 . 9 1 1 A 11 11 CYS CB C 38 41.360 44.809 -3.449 1
1 123 . 9 1 1 A 11 11 CYS N N 38 121.580 124.386 -2.806 1
1 124 . 9 1 1 A 12 12 TYR H H 39 8.830 8.950 -0.120 1
1 125 . 9 1 1 A 12 12 TYR HA H 39 4.780 4.750 0.030 1
1 132 . 9 1 1 A 12 12 TYR C C 39 172.260 174.698 -2.438 1
1 133 . 9 1 1 A 12 12 TYR CA C 39 58.500 58.554 -0.054 1
1 134 . 9 1 1 A 12 12 TYR CB C 39 40.900 39.464 1.436 1
1 135 . 9 1 1 A 12 12 TYR N N 39 122.390 125.583 -3.193 1
1 136 . 9 1 1 A 13 13 CYS H H 40 7.690 8.124 -0.434 1
1 137 . 9 1 1 A 13 13 CYS HA H 40 4.420 5.718 -1.298 1
1 140 . 9 1 1 A 13 13 CYS CA C 40 53.850 54.103 -0.253 1
1 141 . 9 1 1 A 13 13 CYS CB C 40 48.920 45.248 3.672 1
1 142 . 9 1 1 A 14 14 SER H H 41 7.850 8.933 -1.083 1
1 143 . 9 1 1 A 14 14 SER HA H 41 4.160 4.923 -0.763 1
1 146 . 9 1 1 A 14 14 SER CA C 41 58.450 57.266 1.184 1
1 147 . 9 1 1 A 14 14 SER CB C 41 63.840 66.391 -2.551 1
1 148 . 9 1 1 A 14 14 SER N N 41 117.020 118.803 -1.783 1
1 149 . 9 1 1 A 16 16 HIS HA H 43 4.880 4.786 0.094 1
1 152 . 9 1 1 A 16 16 HIS CA C 43 54.770 55.343 -0.573 1
1 153 . 9 1 1 A 16 16 HIS CB C 43 29.490 31.226 -1.736 1
1 154 . 9 1 1 A 17 17 CYS H H 44 8.560 8.648 -0.088 1
1 155 . 9 1 1 A 18 18 PRO HA H 45 4.660 4.573 0.087 1
1 160 . 9 1 1 A 18 18 PRO CA C 45 62.500 62.796 -0.296 1
1 161 . 9 1 1 A 18 18 PRO CB C 45 33.140 32.795 0.345 1
1 164 . 9 1 1 A 19 19 ASP H H 46 8.800 8.639 0.161 1
1 165 . 9 1 1 A 19 19 ASP HA H 46 4.250 4.304 -0.054 1
1 168 . 9 1 1 A 19 19 ASP C C 46 173.430 176.525 -3.095 1
1 169 . 9 1 1 A 19 19 ASP CA C 46 57.190 56.942 0.248 1
1 170 . 9 1 1 A 19 19 ASP CB C 46 40.720 40.602 0.118 1
1 171 . 9 1 1 A 19 19 ASP N N 46 120.170 121.893 -1.723 1
1 172 . 9 1 1 A 20 20 ASP H H 47 8.050 8.261 -0.211 1
1 173 . 9 1 1 A 20 20 ASP HA H 47 4.510 4.644 -0.134 1
1 176 . 9 1 1 A 20 20 ASP C C 47 173.500 176.011 -2.511 1
1 177 . 9 1 1 A 20 20 ASP CA C 47 52.840 53.080 -0.240 1
1 178 . 9 1 1 A 20 20 ASP CB C 47 39.980 39.739 0.241 1
1 179 . 9 1 1 A 20 20 ASP N N 47 114.670 114.896 -0.226 1
1 180 . 9 1 1 A 21 21 ALA H H 48 7.350 7.307 0.043 1
1 181 . 9 1 1 A 21 21 ALA HA H 48 4.280 4.283 -0.003 1
1 185 . 9 1 1 A 21 21 ALA C C 48 174.490 176.466 -1.976 1
1 186 . 9 1 1 A 21 21 ALA CA C 48 53.430 52.352 1.078 1
1 187 . 9 1 1 A 21 21 ALA CB C 48 20.870 20.054 0.816 1
1 188 . 9 1 1 A 21 21 ALA N N 48 122.660 122.610 0.050 1
1 189 . 9 1 1 A 22 22 ILE H H 49 7.960 8.160 -0.200 1
1 190 . 9 1 1 A 22 22 ILE HA H 49 4.240 4.588 -0.348 1
1 199 . 9 1 1 A 22 22 ILE C C 49 173.300 176.260 -2.960 1
1 200 . 9 1 1 A 22 22 ILE CA C 49 60.230 59.534 0.696 1
1 201 . 9 1 1 A 22 22 ILE CB C 49 40.280 40.288 -0.008 1
1 205 . 9 1 1 A 22 22 ILE N N 49 119.550 119.802 -0.252 1
1 206 . 9 1 1 A 23 23 ASN H H 50 9.280 9.102 0.178 1
1 207 . 9 1 1 A 23 23 ASN HA H 50 4.290 4.460 -0.170 1
1 212 . 9 1 1 A 23 23 ASN CA C 50 54.660 53.875 0.785 1
1 213 . 9 1 1 A 23 23 ASN CB C 50 37.620 36.173 1.447 1
1 214 . 9 1 1 A 23 23 ASN N N 50 125.470 125.175 0.295 1
1 216 . 9 1 1 A 24 24 ASN H H 51 8.850 8.531 0.319 1
1 217 . 9 1 1 A 24 24 ASN HA H 51 4.070 4.243 -0.173 1
1 222 . 9 1 1 A 24 24 ASN C C 51 170.660 173.751 -3.091 1
1 223 . 9 1 1 A 24 24 ASN CA C 51 56.080 54.023 2.057 1
1 224 . 9 1 1 A 24 24 ASN CB C 51 37.430 37.167 0.263 1
1 226 . 9 1 1 A 25 25 THR H H 52 7.190 7.424 -0.234 1
1 227 . 9 1 1 A 25 25 THR HA H 52 5.370 5.108 0.262 1
1 232 . 9 1 1 A 25 25 THR C C 52 169.910 172.225 -2.315 1
1 233 . 9 1 1 A 25 25 THR CA C 52 59.890 59.624 0.266 1
1 234 . 9 1 1 A 25 25 THR CB C 52 73.940 72.288 1.652 1
1 236 . 9 1 1 A 25 25 THR N N 52 105.820 106.736 -0.916 1
1 237 . 9 1 1 A 26 26 CYS H H 53 8.960 8.889 0.071 1
1 238 . 9 1 1 A 26 26 CYS HA H 53 5.000 5.416 -0.416 1
1 241 . 9 1 1 A 26 26 CYS C C 53 168.780 171.397 -2.617 1
1 242 . 9 1 1 A 26 26 CYS CA C 53 52.560 53.613 -1.053 1
1 243 . 9 1 1 A 26 26 CYS CB C 53 48.650 46.607 2.043 1
1 244 . 9 1 1 A 26 26 CYS N N 53 116.070 119.253 -3.183 1
1 245 . 9 1 1 A 27 27 ILE H H 54 8.530 8.451 0.079 1
1 246 . 9 1 1 A 27 27 ILE HA H 54 5.210 4.983 0.227 1
1 256 . 9 1 1 A 27 27 ILE C C 54 173.400 174.672 -1.272 1
1 257 . 9 1 1 A 27 27 ILE CA C 54 59.200 60.220 -1.020 1
1 258 . 9 1 1 A 27 27 ILE CB C 54 40.220 40.253 -0.033 1
1 262 . 9 1 1 A 27 27 ILE N N 54 120.170 120.943 -0.773 1
1 263 . 9 1 1 A 28 28 THR H H 55 9.200 8.772 0.428 1
1 264 . 9 1 1 A 28 28 THR HA H 55 4.800 5.282 -0.482 1
1 269 . 9 1 1 A 28 28 THR C C 55 168.370 172.621 -4.251 1
1 270 . 9 1 1 A 28 28 THR CA C 55 60.060 59.623 0.437 1
1 271 . 9 1 1 A 28 28 THR CB C 55 70.490 71.252 -0.762 1
1 273 . 9 1 1 A 28 28 THR N N 55 120.750 120.220 0.530 1
1 274 . 9 1 1 A 29 29 ASN H H 56 8.000 8.512 -0.512 1
1 275 . 9 1 1 A 29 29 ASN HA H 56 4.920 5.044 -0.124 1
1 280 . 9 1 1 A 29 29 ASN C C 56 172.880 175.462 -2.582 1
1 281 . 9 1 1 A 29 29 ASN CA C 56 52.620 51.642 0.978 1
1 282 . 9 1 1 A 29 29 ASN CB C 56 38.920 38.234 0.686 1
1 283 . 9 1 1 A 29 29 ASN N N 56 120.880 123.601 -2.721 1
1 285 . 9 1 1 A 30 30 GLY H H 57 8.510 7.692 0.818 1
1 286 . 9 1 1 A 30 30 GLY HA2 H 57 4.140 4.065 0.075 1
1 287 . 9 1 1 A 30 30 GLY HA3 H 57 3.960 4.152 -0.192 1
1 288 . 9 1 1 A 30 30 GLY C C 57 169.020 172.969 -3.949 1
1 289 . 9 1 1 A 30 30 GLY CA C 57 45.800 45.395 0.405 1
1 290 . 9 1 1 A 30 30 GLY N N 57 111.380 109.439 1.941 1
1 291 . 9 1 1 A 31 31 HIS H H 58 8.560 7.724 0.836 1
1 292 . 9 1 1 A 31 31 HIS HA H 58 4.710 5.335 -0.625 1
1 295 . 9 1 1 A 31 31 HIS C C 58 171.200 173.995 -2.795 1
1 296 . 9 1 1 A 31 31 HIS CA C 58 56.140 54.672 1.468 1
1 297 . 9 1 1 A 31 31 HIS CB C 58 34.650 33.887 0.763 1
1 298 . 9 1 1 A 31 31 HIS N N 58 120.870 116.137 4.733 1
1 299 . 9 1 1 A 32 32 CYS H H 59 8.710 8.520 0.190 1
1 300 . 9 1 1 A 32 32 CYS HA H 59 5.700 5.253 0.447 1
1 303 . 9 1 1 A 32 32 CYS C C 59 173.470 173.452 0.018 1
1 304 . 9 1 1 A 32 32 CYS CA C 59 52.340 55.253 -2.913 1
1 305 . 9 1 1 A 32 32 CYS CB C 59 36.950 44.040 -7.090 1
1 306 . 9 1 1 A 32 32 CYS N N 59 117.290 119.389 -2.099 1
1 307 . 9 1 1 A 33 33 PHE H H 60 8.700 8.490 0.210 1
1 308 . 9 1 1 A 33 33 PHE HA H 60 6.110 5.783 0.327 1
1 316 . 9 1 1 A 33 33 PHE C C 60 172.200 172.969 -0.769 1
1 317 . 9 1 1 A 33 33 PHE CA C 60 56.630 55.297 1.333 1
1 318 . 9 1 1 A 33 33 PHE CB C 60 44.830 42.620 2.210 1
1 319 . 9 1 1 A 33 33 PHE N N 60 116.070 120.058 -3.988 1
1 320 . 9 1 1 A 34 34 ALA H H 61 9.200 8.415 0.785 1
1 321 . 9 1 1 A 34 34 ALA HA H 61 5.000 4.892 0.108 1
1 325 . 9 1 1 A 34 34 ALA C C 61 171.610 175.693 -4.083 1
1 326 . 9 1 1 A 34 34 ALA CA C 61 52.320 51.489 0.831 1
1 327 . 9 1 1 A 34 34 ALA CB C 61 23.950 23.212 0.738 1
1 328 . 9 1 1 A 34 34 ALA N N 61 125.170 120.936 4.234 1
1 329 . 9 1 1 A 35 35 ILE H H 62 9.470 8.570 0.900 1
1 330 . 9 1 1 A 35 35 ILE HA H 62 5.350 4.886 0.464 1
1 340 . 9 1 1 A 35 35 ILE C C 62 170.850 173.183 -2.333 1
1 341 . 9 1 1 A 35 35 ILE CA C 62 59.260 59.625 -0.365 1
1 342 . 9 1 1 A 35 35 ILE CB C 62 43.660 42.336 1.324 1
1 346 . 9 1 1 A 35 35 ILE N N 62 120.630 119.425 1.205 1
1 347 . 9 1 1 A 36 36 ILE H H 63 8.500 8.924 -0.424 1
1 348 . 9 1 1 A 36 36 ILE HA H 63 5.240 5.298 -0.058 1
1 358 . 9 1 1 A 36 36 ILE C C 63 170.510 173.056 -2.546 1
1 359 . 9 1 1 A 36 36 ILE CA C 63 59.130 59.133 -0.003 1
1 360 . 9 1 1 A 36 36 ILE CB C 63 41.670 42.403 -0.733 1
1 364 . 9 1 1 A 36 36 ILE N N 63 125.830 126.327 -0.497 1
1 365 . 9 1 1 A 37 37 GLU H H 64 8.450 8.736 -0.286 1
1 366 . 9 1 1 A 37 37 GLU HA H 64 5.010 4.886 0.124 1
1 371 . 9 1 1 A 37 37 GLU C C 64 171.410 174.431 -3.021 1
1 372 . 9 1 1 A 37 37 GLU CA C 64 54.830 54.983 -0.153 1
1 373 . 9 1 1 A 37 37 GLU CB C 64 34.320 34.252 0.068 1
1 375 . 9 1 1 A 37 37 GLU N N 64 124.570 127.027 -2.457 1
1 376 . 9 1 1 A 38 38 GLU H H 65 8.300 8.557 -0.257 1
1 377 . 9 1 1 A 38 38 GLU HA H 65 5.040 4.925 0.115 1
1 382 . 9 1 1 A 38 38 GLU C C 65 172.920 175.924 -3.004 1
1 383 . 9 1 1 A 38 38 GLU CA C 65 54.760 55.077 -0.317 1
1 384 . 9 1 1 A 38 38 GLU CB C 65 33.470 31.553 1.917 1
1 386 . 9 1 1 A 38 38 GLU N N 65 123.960 123.683 0.277 1
1 387 . 9 1 1 A 39 39 ASP H H 66 8.470 8.302 0.168 1
1 388 . 9 1 1 A 39 39 ASP HA H 66 4.750 4.897 -0.147 1
1 391 . 9 1 1 A 39 39 ASP C C 66 174.940 177.783 -2.843 1
1 392 . 9 1 1 A 39 39 ASP CA C 66 52.890 52.493 0.397 1
1 393 . 9 1 1 A 39 39 ASP CB C 66 41.990 41.421 0.569 1
1 394 . 9 1 1 A 39 39 ASP N N 66 124.870 126.973 -2.103 1
1 395 . 9 1 1 A 40 40 ASP H H 67 8.380 8.908 -0.528 1
1 396 . 9 1 1 A 40 40 ASP HA H 67 4.310 4.466 -0.156 1
1 399 . 9 1 1 A 40 40 ASP C C 67 174.210 176.941 -2.731 1
1 400 . 9 1 1 A 40 40 ASP CA C 67 56.350 56.097 0.253 1
1 401 . 9 1 1 A 40 40 ASP CB C 67 40.510 39.999 0.511 1
1 402 . 9 1 1 A 40 40 ASP N N 67 116.220 118.543 -2.323 1
1 403 . 9 1 1 A 41 41 GLN H H 68 8.200 7.797 0.403 1
1 404 . 9 1 1 A 41 41 GLN HA H 68 4.380 4.370 0.010 1
1 411 . 9 1 1 A 41 41 GLN C C 68 173.740 176.424 -2.684 1
1 412 . 9 1 1 A 41 41 GLN CA C 68 55.590 55.632 -0.042 1
1 413 . 9 1 1 A 41 41 GLN CB C 68 29.780 29.490 0.290 1
1 415 . 9 1 1 A 41 41 GLN N N 68 117.190 117.489 -0.299 1
1 417 . 9 1 1 A 42 42 GLY H H 69 8.000 8.195 -0.195 1
1 418 . 9 1 1 A 42 42 GLY HA2 H 69 3.630 3.898 -0.268 1
1 419 . 9 1 1 A 42 42 GLY HA3 H 69 4.140 3.898 0.242 1
1 420 . 9 1 1 A 42 42 GLY C C 69 171.650 174.228 -2.578 1
1 421 . 9 1 1 A 42 42 GLY CA C 69 45.730 45.641 0.089 1
1 422 . 9 1 1 A 42 42 GLY N N 69 108.130 108.522 -0.392 1
1 423 . 9 1 1 A 43 43 GLU H H 70 8.410 7.558 0.852 1
1 424 . 9 1 1 A 43 43 GLU HA H 70 4.450 4.593 -0.143 1
1 429 . 9 1 1 A 43 43 GLU C C 70 173.970 176.356 -2.386 1
1 430 . 9 1 1 A 43 43 GLU CA C 70 56.020 55.228 0.792 1
1 431 . 9 1 1 A 43 43 GLU CB C 70 30.300 31.058 -0.758 1
1 433 . 9 1 1 A 43 43 GLU N N 70 122.300 119.744 2.556 1
1 434 . 9 1 1 A 44 44 THR H H 71 8.620 8.491 0.129 1
1 435 . 9 1 1 A 44 44 THR HA H 71 5.210 5.194 0.016 1
1 440 . 9 1 1 A 44 44 THR C C 71 172.160 174.016 -1.856 1
1 441 . 9 1 1 A 44 44 THR CA C 71 61.600 60.783 0.817 1
1 442 . 9 1 1 A 44 44 THR CB C 71 71.000 70.097 0.903 1
1 444 . 9 1 1 A 44 44 THR N N 71 117.330 113.599 3.731 1
1 445 . 9 1 1 A 45 45 THR H H 72 8.760 8.663 0.097 1
1 446 . 9 1 1 A 45 45 THR HA H 72 4.500 5.039 -0.539 1
1 451 . 9 1 1 A 45 45 THR C C 72 169.600 173.739 -4.139 1
1 452 . 9 1 1 A 45 45 THR CA C 72 61.270 60.501 0.769 1
1 453 . 9 1 1 A 45 45 THR CB C 72 72.320 70.065 2.255 1
1 455 . 9 1 1 A 45 45 THR N N 72 117.840 117.606 0.234 1
1 456 . 9 1 1 A 46 46 LEU H H 73 8.400 9.115 -0.715 1
1 457 . 9 1 1 A 46 46 LEU HA H 73 5.250 5.035 0.215 1
1 464 . 9 1 1 A 46 46 LEU C C 73 173.150 175.430 -2.280 1
1 465 . 9 1 1 A 46 46 LEU CA C 73 54.300 53.794 0.506 1
1 466 . 9 1 1 A 46 46 LEU CB C 73 44.860 43.526 1.334 1
1 470 . 9 1 1 A 46 46 LEU N N 73 126.020 127.249 -1.229 1
1 471 . 9 1 1 A 47 47 ALA HA H 74 4.760 5.243 -0.483 1
1 475 . 9 1 1 A 47 47 ALA C C 74 172.740 175.334 -2.594 1
1 476 . 9 1 1 A 47 47 ALA CA C 74 51.440 50.879 0.561 1
1 477 . 9 1 1 A 47 47 ALA CB C 74 23.350 23.424 -0.074 1
1 478 . 9 1 1 A 48 48 SER H H 75 8.700 8.159 0.541 1
1 479 . 9 1 1 A 48 48 SER HA H 75 4.500 4.614 -0.114 1
1 482 . 9 1 1 A 48 48 SER C C 75 171.590 173.025 -1.435 1
1 483 . 9 1 1 A 48 48 SER CA C 75 57.740 56.361 1.379 1
1 484 . 9 1 1 A 48 48 SER CB C 75 65.700 65.959 -0.259 1
1 485 . 9 1 1 A 48 48 SER N N 75 111.400 114.179 -2.779 1
1 486 . 9 1 1 A 49 49 GLY H H 76 6.440 7.294 -0.854 1
1 487 . 9 1 1 A 49 49 GLY HA2 H 76 3.850 3.915 -0.065 1
1 488 . 9 1 1 A 49 49 GLY HA3 H 76 3.730 3.937 -0.207 1
1 489 . 9 1 1 A 49 49 GLY C C 76 167.890 171.284 -3.394 1
1 490 . 9 1 1 A 49 49 GLY CA C 76 47.420 45.867 1.553 1
1 491 . 9 1 1 A 49 49 GLY N N 76 105.480 105.749 -0.269 1
1 492 . 9 1 1 A 50 50 CYS H H 77 8.740 8.342 0.398 1
1 493 . 9 1 1 A 50 50 CYS HA H 77 4.950 5.370 -0.420 1
1 496 . 9 1 1 A 50 50 CYS C C 77 170.670 172.743 -2.073 1
1 497 . 9 1 1 A 50 50 CYS CA C 77 60.030 55.283 4.747 1
1 498 . 9 1 1 A 50 50 CYS CB C 77 46.100 43.368 2.732 1
1 499 . 9 1 1 A 50 50 CYS N N 77 118.960 119.814 -0.854 1
1 500 . 9 1 1 A 51 51 MET H H 78 9.240 9.061 0.179 1
1 501 . 9 1 1 A 51 51 MET HA H 78 4.760 4.997 -0.237 1
1 509 . 9 1 1 A 51 51 MET C C 78 171.990 175.995 -4.005 1
1 510 . 9 1 1 A 51 51 MET CA C 78 54.630 54.193 0.437 1
1 511 . 9 1 1 A 51 51 MET CB C 78 35.810 35.161 0.649 1
1 514 . 9 1 1 A 51 51 MET N N 78 122.340 125.961 -3.621 1
1 515 . 9 1 1 A 52 52 LYS H H 79 8.430 8.449 -0.019 1
1 516 . 9 1 1 A 52 52 LYS HA H 79 4.160 4.325 -0.165 1
1 525 . 9 1 1 A 52 52 LYS C C 79 173.040 175.899 -2.859 1
1 526 . 9 1 1 A 52 52 LYS CA C 79 57.120 56.169 0.951 1
1 527 . 9 1 1 A 52 52 LYS CB C 79 33.720 32.651 1.069 1
1 531 . 9 1 1 A 52 52 LYS N N 79 125.030 123.868 1.162 1
1 532 . 9 1 1 A 53 53 TYR H H 80 8.400 8.816 -0.416 1
1 533 . 9 1 1 A 53 53 TYR HA H 80 4.200 4.570 -0.370 1
1 536 . 9 1 1 A 53 53 TYR C C 80 173.370 175.316 -1.946 1
1 537 . 9 1 1 A 53 53 TYR CA C 80 59.910 59.348 0.562 1
1 538 . 9 1 1 A 53 53 TYR CB C 80 39.000 39.310 -0.310 1
1 539 . 9 1 1 A 53 53 TYR N N 80 121.420 120.951 0.469 1
1 540 . 9 1 1 A 54 54 GLU H H 81 8.490 8.622 -0.132 1
1 541 . 9 1 1 A 54 54 GLU HA H 81 4.170 4.602 -0.432 1
1 545 . 9 1 1 A 54 54 GLU C C 81 173.240 176.607 -3.367 1
1 546 . 9 1 1 A 54 54 GLU CA C 81 56.440 56.659 -0.219 1
1 547 . 9 1 1 A 54 54 GLU CB C 81 30.860 32.483 -1.623 1
1 549 . 9 1 1 A 54 54 GLU N N 81 123.790 124.510 -0.720 1
1 550 . 9 1 1 A 55 55 GLY H H 82 7.200 7.457 -0.257 1
1 551 . 9 1 1 A 55 55 GLY HA2 H 82 4.050 3.788 0.262 1
1 552 . 9 1 1 A 55 55 GLY HA3 H 82 3.690 3.912 -0.222 1
1 553 . 9 1 1 A 55 55 GLY C C 82 171.520 174.627 -3.107 1
1 554 . 9 1 1 A 55 55 GLY CA C 82 45.680 45.205 0.475 1
1 555 . 9 1 1 A 55 55 GLY N N 82 108.400 107.295 1.105 1
1 556 . 9 1 1 A 56 56 SER H H 83 8.140 7.844 0.296 1
1 557 . 9 1 1 A 56 56 SER HA H 83 4.280 4.370 -0.090 1
1 560 . 9 1 1 A 56 56 SER C C 83 171.900 174.373 -2.473 1
1 561 . 9 1 1 A 56 56 SER CA C 83 59.270 58.573 0.697 1
1 562 . 9 1 1 A 56 56 SER CB C 83 63.960 63.175 0.785 1
1 563 . 9 1 1 A 56 56 SER N N 83 114.650 115.766 -1.116 1
1 564 . 9 1 1 A 57 57 ASP H H 84 8.340 8.948 -0.608 1
1 565 . 9 1 1 A 57 57 ASP HA H 84 4.430 4.705 -0.275 1
1 568 . 9 1 1 A 57 57 ASP C C 84 173.100 176.831 -3.731 1
1 569 . 9 1 1 A 57 57 ASP CA C 84 54.950 56.615 -1.665 1
1 570 . 9 1 1 A 57 57 ASP CB C 84 40.840 41.843 -1.003 1
1 571 . 9 1 1 A 57 57 ASP N N 84 121.230 125.125 -3.895 1
1 572 . 9 1 1 A 58 58 PHE H H 85 7.730 7.699 0.031 1
1 573 . 9 1 1 A 58 58 PHE HA H 85 4.260 4.717 -0.457 1
1 581 . 9 1 1 A 58 58 PHE C C 85 172.590 174.853 -2.263 1
1 582 . 9 1 1 A 58 58 PHE CA C 85 58.520 56.893 1.627 1
1 583 . 9 1 1 A 58 58 PHE CB C 85 39.840 40.262 -0.422 1
1 584 . 9 1 1 A 58 58 PHE N N 85 118.920 117.927 0.993 1
1 585 . 9 1 1 A 59 59 GLN H H 86 7.790 7.658 0.132 1
1 586 . 9 1 1 A 59 59 GLN HA H 86 4.070 4.460 -0.390 1
1 593 . 9 1 1 A 59 59 GLN C C 86 172.550 175.290 -2.740 1
1 594 . 9 1 1 A 59 59 GLN CA C 86 56.000 54.814 1.186 1
1 595 . 9 1 1 A 59 59 GLN CB C 86 30.600 26.628 3.972 1
1 597 . 9 1 1 A 59 59 GLN N N 86 120.280 119.930 0.350 1
1 599 . 9 1 1 A 60 60 CYS H H 87 8.100 8.090 0.010 1
1 600 . 9 1 1 A 60 60 CYS HA H 87 4.140 4.867 -0.727 1
1 603 . 9 1 1 A 60 60 CYS C C 87 170.910 173.108 -2.198 1
1 604 . 9 1 1 A 60 60 CYS CA C 87 56.810 55.350 1.460 1
1 605 . 9 1 1 A 60 60 CYS CB C 87 40.780 42.531 -1.751 1
1 606 . 9 1 1 A 60 60 CYS N N 87 118.790 123.501 -4.711 1
1 607 . 9 1 1 A 61 61 LYS H H 88 7.610 7.664 -0.054 1
1 608 . 9 1 1 A 61 61 LYS HA H 88 4.280 4.492 -0.212 1
1 617 . 9 1 1 A 61 61 LYS C C 88 172.330 175.431 -3.101 1
1 618 . 9 1 1 A 61 61 LYS CA C 88 56.210 55.508 0.702 1
1 619 . 9 1 1 A 61 61 LYS CB C 88 34.210 34.280 -0.070 1
1 623 . 9 1 1 A 61 61 LYS N N 88 120.330 119.429 0.901 1
1 624 . 9 1 1 A 62 62 ASP H H 89 8.180 8.675 -0.495 1
1 625 . 9 1 1 A 62 62 ASP HA H 89 4.500 4.990 -0.490 1
1 628 . 9 1 1 A 62 62 ASP C C 89 172.970 174.919 -1.949 1
1 629 . 9 1 1 A 62 62 ASP CA C 89 54.200 54.035 0.165 1
1 630 . 9 1 1 A 62 62 ASP CB C 89 42.090 45.455 -3.365 1
1 631 . 9 1 1 A 62 62 ASP N N 89 121.190 121.021 0.169 1
1 632 . 9 1 1 A 63 63 SER H H 90 8.190 8.704 -0.514 1
1 633 . 9 1 1 A 63 63 SER HA H 90 4.640 4.732 -0.092 1
1 636 . 9 1 1 A 63 63 SER C C 90 170.240 174.131 -3.891 1
1 637 . 9 1 1 A 63 63 SER CA C 90 56.600 57.178 -0.578 1
1 638 . 9 1 1 A 63 63 SER CB C 90 63.770 62.766 1.004 1
1 639 . 9 1 1 A 63 63 SER N N 90 116.710 121.648 -4.938 1
1 640 . 9 1 1 A 64 64 PRO HA H 91 4.350 4.602 -0.252 1
1 647 . 9 1 1 A 64 64 PRO CA C 91 63.800 62.719 1.081 1
1 648 . 9 1 1 A 64 64 PRO CB C 91 32.410 29.499 2.911 1
1 651 . 9 1 1 A 65 65 LYS H H 92 8.240 7.856 0.384 1
1 652 . 9 1 1 A 65 65 LYS HA H 92 4.210 4.565 -0.355 1
1 661 . 9 1 1 A 65 65 LYS C C 92 173.330 175.143 -1.813 1
1 662 . 9 1 1 A 65 65 LYS CA C 92 56.410 55.359 1.051 1
1 663 . 9 1 1 A 65 65 LYS CB C 92 33.230 33.634 -0.404 1
1 667 . 9 1 1 A 65 65 LYS N N 92 120.180 122.119 -1.939 1
1 668 . 9 1 1 A 66 66 ALA H H 93 8.040 7.439 0.601 1
1 669 . 9 1 1 A 66 66 ALA HA H 93 4.210 4.371 -0.161 1
1 673 . 9 1 1 A 66 66 ALA C C 93 174.580 177.214 -2.634 1
1 674 . 9 1 1 A 66 66 ALA CA C 93 53.020 51.368 1.652 1
1 675 . 9 1 1 A 66 66 ALA CB C 93 19.760 20.081 -0.321 1
1 676 . 9 1 1 A 66 66 ALA N N 93 124.050 123.433 0.617 1
1 677 . 9 1 1 A 67 67 GLN H H 94 8.320 8.081 0.239 1
1 678 . 9 1 1 A 67 67 GLN HA H 94 4.190 4.285 -0.095 1
1 685 . 9 1 1 A 67 67 GLN C C 94 172.780 175.329 -2.549 1
1 686 . 9 1 1 A 67 67 GLN CA C 94 56.750 54.650 2.100 1
1 687 . 9 1 1 A 67 67 GLN CB C 94 29.100 30.206 -1.106 1
1 689 . 9 1 1 A 67 67 GLN N N 94 117.930 118.263 -0.333 1
1 691 . 9 1 1 A 68 68 LEU H H 95 7.730 8.093 -0.363 1
1 692 . 9 1 1 A 68 68 LEU HA H 95 4.360 4.345 0.015 1
1 702 . 9 1 1 A 68 68 LEU C C 95 174.270 177.109 -2.839 1
1 703 . 9 1 1 A 68 68 LEU CA C 95 54.970 55.147 -0.177 1
1 704 . 9 1 1 A 68 68 LEU CB C 95 43.120 43.232 -0.112 1
1 708 . 9 1 1 A 68 68 LEU N N 95 120.470 124.047 -3.577 1
1 709 . 9 1 1 A 69 69 ARG H H 96 8.600 8.679 -0.079 1
1 710 . 9 1 1 A 69 69 ARG HA H 96 4.230 4.423 -0.193 1
1 718 . 9 1 1 A 69 69 ARG C C 96 171.700 176.275 -4.575 1
1 719 . 9 1 1 A 69 69 ARG CA C 96 56.570 56.543 0.027 1
1 720 . 9 1 1 A 69 69 ARG CB C 96 30.660 30.797 -0.137 1
1 723 . 9 1 1 A 69 69 ARG N N 96 121.670 123.644 -1.974 1
1 725 . 9 1 1 A 70 70 ARG H H 97 7.800 8.663 -0.863 1
1 726 . 9 1 1 A 70 70 ARG HA H 97 5.170 5.159 0.011 1
1 734 . 9 1 1 A 70 70 ARG C C 97 172.120 173.398 -1.278 1
1 735 . 9 1 1 A 70 70 ARG CA C 97 55.260 54.641 0.619 1
1 736 . 9 1 1 A 70 70 ARG CB C 97 34.040 34.093 -0.053 1
1 739 . 9 1 1 A 70 70 ARG N N 97 120.130 120.801 -0.671 1
1 741 . 9 1 1 A 71 71 THR H H 98 8.610 8.178 0.432 1
1 742 . 9 1 1 A 71 71 THR HA H 98 4.600 5.183 -0.583 1
1 747 . 9 1 1 A 71 71 THR C C 98 169.250 173.546 -4.296 1
1 748 . 9 1 1 A 71 71 THR CA C 98 62.030 61.539 0.491 1
1 749 . 9 1 1 A 71 71 THR CB C 98 71.970 72.006 -0.036 1
1 751 . 9 1 1 A 71 71 THR N N 98 118.550 114.346 4.204 1
1 752 . 9 1 1 A 72 72 ILE H H 99 8.520 8.654 -0.134 1
1 753 . 9 1 1 A 72 72 ILE HA H 99 5.080 5.031 0.049 1
1 763 . 9 1 1 A 72 72 ILE C C 99 170.930 172.940 -2.010 1
1 764 . 9 1 1 A 72 72 ILE CA C 99 59.370 59.314 0.056 1
1 765 . 9 1 1 A 72 72 ILE CB C 99 42.140 42.387 -0.247 1
1 769 . 9 1 1 A 72 72 ILE N N 99 125.230 122.757 2.473 1
1 770 . 9 1 1 A 73 73 GLU H H 100 8.860 8.600 0.260 1
1 771 . 9 1 1 A 73 73 GLU HA H 100 4.670 5.036 -0.366 1
1 776 . 9 1 1 A 73 73 GLU C C 100 172.200 174.825 -2.625 1
1 777 . 9 1 1 A 73 73 GLU CA C 100 55.840 54.979 0.861 1
1 778 . 9 1 1 A 73 73 GLU CB C 100 34.410 34.341 0.069 1
1 780 . 9 1 1 A 73 73 GLU N N 100 125.680 125.647 0.033 1
1 781 . 9 1 1 A 74 74 CYS H H 101 8.830 9.065 -0.235 1
1 782 . 9 1 1 A 74 74 CYS HA H 101 5.790 5.546 0.244 1
1 785 . 9 1 1 A 74 74 CYS C C 101 170.360 172.487 -2.127 1
1 786 . 9 1 1 A 74 74 CYS CA C 101 55.010 54.459 0.551 1
1 787 . 9 1 1 A 74 74 CYS CB C 101 45.320 45.934 -0.614 1
1 788 . 9 1 1 A 74 74 CYS N N 101 119.260 117.136 2.124 1
1 789 . 9 1 1 A 75 75 CYS H H 102 9.130 8.664 0.466 1
1 790 . 9 1 1 A 75 75 CYS HA H 102 5.000 5.413 -0.413 1
1 793 . 9 1 1 A 75 75 CYS C C 102 170.670 171.893 -1.223 1
1 794 . 9 1 1 A 75 75 CYS CA C 102 56.180 55.740 0.440 1
1 795 . 9 1 1 A 75 75 CYS CB C 102 46.090 46.261 -0.171 1
1 796 . 9 1 1 A 75 75 CYS N N 102 116.460 118.744 -2.284 1
1 797 . 9 1 1 A 76 76 ARG H H 103 9.240 9.086 0.154 1
1 798 . 9 1 1 A 76 76 ARG HA H 103 4.800 4.547 0.253 1
1 806 . 9 1 1 A 76 76 ARG C C 103 172.120 174.655 -2.535 1
1 807 . 9 1 1 A 76 76 ARG CA C 103 56.230 55.078 1.152 1
1 808 . 9 1 1 A 76 76 ARG CB C 103 32.610 29.590 3.020 1
1 811 . 9 1 1 A 76 76 ARG N N 103 122.520 125.551 -3.031 1
1 813 . 9 1 1 A 77 77 THR H H 104 7.440 7.727 -0.287 1
1 814 . 9 1 1 A 77 77 THR HA H 104 4.600 5.133 -0.533 1
1 819 . 9 1 1 A 77 77 THR C C 104 171.890 173.601 -1.711 1
1 820 . 9 1 1 A 77 77 THR CA C 104 61.270 59.515 1.755 1
1 821 . 9 1 1 A 77 77 THR CB C 104 72.490 72.004 0.486 1
1 823 . 9 1 1 A 77 77 THR N N 104 109.730 112.117 -2.387 1
1 824 . 9 1 1 A 78 78 ASN H H 105 8.590 8.711 -0.121 1
1 825 . 9 1 1 A 78 78 ASN HA H 105 4.790 4.640 0.150 1
1 830 . 9 1 1 A 78 78 ASN C C 105 174.150 175.273 -1.123 1
1 831 . 9 1 1 A 78 78 ASN CA C 105 55.870 54.052 1.818 1
1 832 . 9 1 1 A 78 78 ASN CB C 105 39.260 38.218 1.042 1
1 833 . 9 1 1 A 78 78 ASN N N 105 119.360 119.443 -0.083 1
1 835 . 9 1 1 A 79 79 LEU H H 106 9.980 8.768 1.212 1
1 836 . 9 1 1 A 79 79 LEU HA H 106 3.680 3.940 -0.260 1
1 846 . 9 1 1 A 79 79 LEU C C 106 175.050 177.520 -2.470 1
1 847 . 9 1 1 A 79 79 LEU CA C 106 56.790 56.024 0.766 1
1 848 . 9 1 1 A 79 79 LEU CB C 106 38.920 39.330 -0.410 1
1 852 . 9 1 1 A 79 79 LEU N N 106 118.230 117.738 0.492 1
1 853 . 9 1 1 A 80 80 CYS H H 107 8.250 8.010 0.240 1
1 854 . 9 1 1 A 80 80 CYS HA H 107 4.320 4.371 -0.051 1
1 857 . 9 1 1 A 80 80 CYS C C 107 172.470 175.899 -3.429 1
1 858 . 9 1 1 A 80 80 CYS CA C 107 58.370 58.785 -0.415 1
1 859 . 9 1 1 A 80 80 CYS CB C 107 46.090 42.146 3.944 1
1 860 . 9 1 1 A 80 80 CYS N N 107 115.460 116.631 -1.171 1
1 861 . 9 1 1 A 81 81 ASN H H 108 8.590 7.894 0.696 1
1 862 . 9 1 1 A 81 81 ASN HA H 108 4.430 4.593 -0.163 1
1 867 . 9 1 1 A 81 81 ASN C C 108 172.210 177.789 -5.579 1
1 868 . 9 1 1 A 81 81 ASN CA C 108 53.320 55.515 -2.195 1
1 869 . 9 1 1 A 81 81 ASN CB C 108 37.290 38.330 -1.040 1
1 870 . 9 1 1 A 81 81 ASN N N 108 118.040 120.457 -2.417 1
1 872 . 9 1 1 A 82 82 GLN H H 109 7.490 7.840 -0.350 1
1 873 . 9 1 1 A 82 82 GLN HA H 109 3.380 3.568 -0.188 1
1 880 . 9 1 1 A 82 82 GLN C C 109 172.300 176.862 -4.562 1
1 881 . 9 1 1 A 82 82 GLN CA C 109 58.940 58.205 0.735 1
1 882 . 9 1 1 A 82 82 GLN CB C 109 28.770 27.802 0.968 1
1 884 . 9 1 1 A 82 82 GLN N N 109 121.350 120.239 1.111 1
1 886 . 9 1 1 A 83 83 TYR H H 110 7.830 7.661 0.169 1
1 887 . 9 1 1 A 83 83 TYR HA H 110 4.590 4.665 -0.075 1
1 892 . 9 1 1 A 83 83 TYR CA C 110 56.490 57.481 -0.991 1
1 893 . 9 1 1 A 83 83 TYR CB C 110 38.400 38.091 0.309 1
1 894 . 9 1 1 A 83 83 TYR N N 110 114.600 116.673 -2.073 1
1 895 . 9 1 1 A 84 84 LEU H H 111 6.610 7.407 -0.797 1
1 896 . 9 1 1 A 84 84 LEU HA H 111 4.170 4.957 -0.787 1
1 905 . 9 1 1 A 84 84 LEU C C 111 172.880 174.617 -1.737 1
1 906 . 9 1 1 A 84 84 LEU CA C 111 55.250 53.643 1.607 1
1 907 . 9 1 1 A 84 84 LEU CB C 111 43.400 44.634 -1.234 1
1 911 . 9 1 1 A 84 84 LEU N N 111 120.140 122.005 -1.865 1
1 912 . 9 1 1 A 85 85 GLN H H 112 8.780 8.978 -0.198 1
1 913 . 9 1 1 A 85 85 GLN HA H 112 4.570 4.883 -0.313 1
1 920 . 9 1 1 A 85 85 GLN C C 112 169.480 174.288 -4.808 1
1 921 . 9 1 1 A 85 85 GLN CA C 112 53.110 52.670 0.440 1
1 922 . 9 1 1 A 85 85 GLN CB C 112 30.000 30.404 -0.404 1
1 924 . 9 1 1 A 85 85 GLN N N 112 122.790 127.660 -4.870 1
1 926 . 9 1 1 A 86 86 PRO HA H 113 4.400 4.890 -0.490 1
1 931 . 9 1 1 A 86 86 PRO CA C 113 63.040 62.770 0.270 1
1 932 . 9 1 1 A 86 86 PRO CB C 113 32.400 31.901 0.499 1
1 935 . 9 1 1 A 87 87 THR H H 114 8.180 8.568 -0.388 1
1 936 . 9 1 1 A 87 87 THR HA H 114 4.400 5.021 -0.621 1
1 941 . 9 1 1 A 87 87 THR C C 114 172.180 173.296 -1.116 1
1 942 . 9 1 1 A 87 87 THR CA C 114 60.960 59.728 1.232 1
1 943 . 9 1 1 A 87 87 THR CB C 114 71.290 72.122 -0.832 1
1 945 . 9 1 1 A 87 87 THR N N 114 111.930 112.456 -0.526 1
1 946 . 9 1 1 A 88 88 LEU H H 115 8.580 8.590 -0.010 1
1 947 . 9 1 1 A 88 88 LEU HA H 115 4.300 4.854 -0.554 1
1 956 . 9 1 1 A 88 88 LEU C C 115 171.740 174.693 -2.953 1
1 957 . 9 1 1 A 88 88 LEU CA C 115 53.230 53.664 -0.434 1
1 958 . 9 1 1 A 88 88 LEU CB C 115 41.900 40.993 0.907 1
1 962 . 9 1 1 A 88 88 LEU N N 115 125.290 124.470 0.820 1
1 963 . 9 1 1 A 89 89 PRO HA H 116 4.630 4.598 0.032 1
1 970 . 9 1 1 A 89 89 PRO CA C 116 61.580 61.755 -0.175 1
1 971 . 9 1 1 A 89 89 PRO CB C 116 30.980 31.643 -0.663 1
1 974 . 9 1 1 A 90 90 PRO HA H 117 4.350 4.692 -0.342 1
1 977 . 9 1 1 A 90 90 PRO CA C 117 63.010 62.793 0.217 1
1 978 . 9 1 1 A 90 90 PRO CB C 117 32.300 32.334 -0.034 1
1 981 . 9 1 1 A 91 91 VAL H H 118 8.190 8.462 -0.272 1
1 982 . 9 1 1 A 91 91 VAL HA H 118 3.900 4.546 -0.646 1
1 990 . 9 1 1 A 91 91 VAL C C 118 173.270 173.575 -0.305 1
1 991 . 9 1 1 A 91 91 VAL CA C 118 62.890 60.099 2.791 1
1 992 . 9 1 1 A 91 91 VAL CB C 118 32.980 35.790 -2.810 1
1 994 . 9 1 1 A 91 91 VAL N N 118 120.460 122.083 -1.623 1
1 995 . 9 1 1 A 92 92 VAL H H 119 8.180 8.465 -0.285 1
1 996 . 9 1 1 A 92 92 VAL HA H 119 4.040 4.482 -0.442 1
1 1004 . 9 1 1 A 92 92 VAL C C 119 172.960 174.560 -1.600 1
1 1005 . 9 1 1 A 92 92 VAL CA C 119 62.250 60.919 1.331 1
1 1006 . 9 1 1 A 92 92 VAL CB C 119 33.280 33.439 -0.159 1
1 1008 . 9 1 1 A 92 92 VAL N N 119 125.030 123.915 1.115 1
1 1009 . 9 1 1 A 93 93 ILE H H 120 8.220 8.550 -0.330 1
1 1010 . 9 1 1 A 93 93 ILE HA H 120 4.110 4.422 -0.312 1
1 1015 . 9 1 1 A 93 93 ILE C C 120 173.440 176.587 -3.147 1
1 1016 . 9 1 1 A 93 93 ILE CA C 120 61.050 60.937 0.113 1
1 1017 . 9 1 1 A 93 93 ILE CB C 120 39.030 37.765 1.265 1
1 1021 . 9 1 1 A 93 93 ILE N N 120 125.690 127.885 -2.195 1
1 1022 . 9 1 1 A 94 94 GLY H H 121 8.190 8.561 -0.371 1
1 1023 . 9 1 1 A 94 94 GLY HA2 H 121 4.050 4.144 -0.094 1
1 1024 . 9 1 1 A 94 94 GLY HA3 H 121 3.940 4.156 -0.216 1
1 1025 . 9 1 1 A 94 94 GLY C C 121 169.080 173.460 -4.380 1
1 1026 . 9 1 1 A 94 94 GLY CA C 121 44.850 44.622 0.228 1
1 1027 . 9 1 1 A 94 94 GLY N N 121 113.150 114.829 -1.679 1
1 1028 . 9 1 1 A 95 95 PRO HA H 122 4.270 4.759 -0.489 1
1 1032 . 9 1 1 A 95 95 PRO CA C 122 63.340 62.954 0.386 1
1 1033 . 9 1 1 A 95 95 PRO CB C 122 32.160 33.274 -1.114 1
1 1036 . 9 1 1 A 96 96 PHE H H 123 8.140 8.810 -0.670 1
1 1037 . 9 1 1 A 96 96 PHE HA H 123 4.510 5.250 -0.740 1
1 1040 . 9 1 1 A 96 96 PHE C C 123 172.700 173.491 -0.791 1
1 1041 . 9 1 1 A 96 96 PHE CA C 123 58.040 57.644 0.396 1
1 1042 . 9 1 1 A 96 96 PHE CB C 123 39.710 42.196 -2.486 1
1 1043 . 9 1 1 A 96 96 PHE N N 123 119.410 123.174 -3.764 1
1 1044 . 9 1 1 A 97 97 PHE H H 124 8.000 7.685 0.315 1
1 1045 . 9 1 1 A 97 97 PHE HA H 124 4.490 4.944 -0.454 1
1 1048 . 9 1 1 A 97 97 PHE C C 124 172.140 173.428 -1.288 1
1 1049 . 9 1 1 A 97 97 PHE CA C 124 58.000 57.525 0.475 1
1 1050 . 9 1 1 A 97 97 PHE CB C 124 40.140 41.002 -0.862 1
1 1051 . 9 1 1 A 97 97 PHE N N 124 122.180 124.423 -2.243 1
1 1052 . 9 1 1 A 98 98 ASP H H 125 8.100 7.576 0.524 1
1 1053 . 9 1 1 A 98 98 ASP HA H 125 4.400 4.627 -0.227 1
1 1056 . 9 1 1 A 98 98 ASP C C 125 173.870 176.278 -2.408 1
1 1057 . 9 1 1 A 98 98 ASP CA C 125 54.470 55.490 -1.020 1
1 1058 . 9 1 1 A 98 98 ASP CB C 125 41.390 43.284 -1.894 1
1 1059 . 9 1 1 A 98 98 ASP N N 125 123.000 122.549 0.451 1
1 1060 . 9 1 1 A 99 99 GLY H H 126 8.010 7.700 0.310 1
1 1061 . 9 1 1 A 99 99 GLY HA3 H 126 3.860 3.800 0.060 1
1 1062 . 9 1 1 A 99 99 GLY C C 126 171.640 173.633 -1.993 1
1 1063 . 9 1 1 A 99 99 GLY CA C 126 45.860 46.011 -0.151 1
1 1064 . 9 1 1 A 99 99 GLY N N 126 109.280 107.051 2.229 1
1 1065 . 9 1 1 A 100 100 SER H H 127 8.110 7.557 0.553 1
1 1066 . 9 1 1 A 100 100 SER HA H 127 4.320 4.700 -0.380 1
1 1069 . 9 1 1 A 100 100 SER C C 127 171.520 173.272 -1.752 1
1 1070 . 9 1 1 A 100 100 SER CA C 127 59.190 57.436 1.754 1
1 1071 . 9 1 1 A 100 100 SER CB C 127 64.240 64.958 -0.718 1
1 1072 . 9 1 1 A 100 100 SER N N 127 115.760 113.780 1.980 1
1 1073 . 9 1 1 A 101 101 ILE H H 128 7.960 8.995 -1.035 1
1 1074 . 9 1 1 A 101 101 ILE HA H 128 4.110 4.501 -0.391 1
1 1084 . 9 1 1 A 101 101 ILE C C 128 172.590 175.141 -2.551 1
1 1085 . 9 1 1 A 101 101 ILE CA C 128 61.800 60.360 1.440 1
1 1086 . 9 1 1 A 101 101 ILE CB C 128 38.820 39.031 -0.211 1
1 1090 . 9 1 1 A 101 101 ILE N N 128 122.050 127.734 -5.684 1
1 1 . 10 1 1 A 2 2 PRO HA H 29 4.310 4.574 -0.264 1
1 8 . 10 1 1 A 2 2 PRO CA C 29 64.380 63.208 1.172 1
1 9 . 10 1 1 A 2 2 PRO CB C 29 32.300 31.644 0.656 1
1 12 . 10 1 1 A 3 3 GLU H H 30 9.010 8.770 0.240 1
1 13 . 10 1 1 A 3 3 GLU HA H 30 4.170 4.520 -0.350 1
1 18 . 10 1 1 A 3 3 GLU C C 30 173.730 175.603 -1.873 1
1 19 . 10 1 1 A 3 3 GLU CA C 30 57.560 55.999 1.561 1
1 20 . 10 1 1 A 3 3 GLU CB C 30 29.400 29.149 0.251 1
1 22 . 10 1 1 A 3 3 GLU N N 30 118.790 122.264 -3.474 1
1 23 . 10 1 1 A 4 4 ASP H H 31 7.940 7.824 0.116 1
1 24 . 10 1 1 A 4 4 ASP HA H 31 4.560 4.829 -0.269 1
1 27 . 10 1 1 A 4 4 ASP C C 31 173.600 175.415 -1.815 1
1 28 . 10 1 1 A 4 4 ASP CA C 31 54.940 53.578 1.362 1
1 29 . 10 1 1 A 4 4 ASP CB C 31 41.650 38.977 2.673 1
1 30 . 10 1 1 A 4 4 ASP N N 31 119.920 121.835 -1.915 1
1 31 . 10 1 1 A 5 5 THR H H 32 7.810 8.707 -0.897 1
1 32 . 10 1 1 A 5 5 THR HA H 32 4.160 4.591 -0.431 1
1 37 . 10 1 1 A 5 5 THR C C 32 171.630 174.057 -2.427 1
1 38 . 10 1 1 A 5 5 THR CA C 32 62.410 60.185 2.225 1
1 39 . 10 1 1 A 5 5 THR CB C 32 70.040 67.532 2.508 1
1 41 . 10 1 1 A 5 5 THR N N 32 113.570 121.421 -7.851 1
1 42 . 10 1 1 A 6 6 LEU H H 33 8.100 7.447 0.653 1
1 43 . 10 1 1 A 6 6 LEU HA H 33 4.490 4.529 -0.039 1
1 53 . 10 1 1 A 6 6 LEU C C 33 172.440 174.913 -2.473 1
1 54 . 10 1 1 A 6 6 LEU CA C 33 53.430 53.272 0.158 1
1 55 . 10 1 1 A 6 6 LEU CB C 33 41.900 41.315 0.585 1
1 59 . 10 1 1 A 6 6 LEU N N 33 125.790 124.277 1.513 1
1 60 . 10 1 1 A 7 7 PRO HA H 34 4.130 4.500 -0.370 1
1 67 . 10 1 1 A 7 7 PRO CA C 34 63.660 62.959 0.701 1
1 68 . 10 1 1 A 7 7 PRO CB C 34 31.970 31.920 0.050 1
1 71 . 10 1 1 A 8 8 PHE H H 35 7.610 8.381 -0.771 1
1 72 . 10 1 1 A 8 8 PHE HA H 35 4.580 4.811 -0.231 1
1 77 . 10 1 1 A 8 8 PHE C C 35 171.110 174.493 -3.383 1
1 78 . 10 1 1 A 8 8 PHE CA C 35 57.690 56.014 1.676 1
1 79 . 10 1 1 A 8 8 PHE CB C 35 40.850 38.580 2.270 1
1 80 . 10 1 1 A 8 8 PHE N N 35 117.670 117.247 0.423 1
1 81 . 10 1 1 A 9 9 LEU H H 36 8.310 7.778 0.532 1
1 82 . 10 1 1 A 9 9 LEU HA H 36 4.420 4.801 -0.381 1
1 92 . 10 1 1 A 9 9 LEU C C 36 171.050 174.015 -2.965 1
1 93 . 10 1 1 A 9 9 LEU CA C 36 54.770 54.439 0.331 1
1 94 . 10 1 1 A 9 9 LEU CB C 36 44.230 45.313 -1.083 1
1 98 . 10 1 1 A 9 9 LEU N N 36 125.150 121.998 3.152 1
1 99 . 10 1 1 A 10 10 LYS H H 37 8.130 9.340 -1.210 1
1 100 . 10 1 1 A 10 10 LYS HA H 37 5.110 5.234 -0.124 1
1 109 . 10 1 1 A 10 10 LYS C C 37 172.470 174.974 -2.504 1
1 110 . 10 1 1 A 10 10 LYS CA C 37 54.730 55.057 -0.327 1
1 111 . 10 1 1 A 10 10 LYS CB C 37 35.010 34.270 0.740 1
1 115 . 10 1 1 A 10 10 LYS N N 37 123.550 128.071 -4.521 1
1 116 . 10 1 1 A 11 11 CYS H H 38 9.240 8.833 0.407 1
1 117 . 10 1 1 A 11 11 CYS HA H 38 4.890 5.453 -0.563 1
1 120 . 10 1 1 A 11 11 CYS C C 38 171.750 171.972 -0.222 1
1 121 . 10 1 1 A 11 11 CYS CA C 38 51.950 54.791 -2.841 1
1 122 . 10 1 1 A 11 11 CYS CB C 38 41.360 45.180 -3.820 1
1 123 . 10 1 1 A 11 11 CYS N N 38 121.580 123.972 -2.392 1
1 124 . 10 1 1 A 12 12 TYR H H 39 8.830 8.943 -0.113 1
1 125 . 10 1 1 A 12 12 TYR HA H 39 4.780 4.681 0.099 1
1 132 . 10 1 1 A 12 12 TYR C C 39 172.260 174.849 -2.589 1
1 133 . 10 1 1 A 12 12 TYR CA C 39 58.500 58.898 -0.398 1
1 134 . 10 1 1 A 12 12 TYR CB C 39 40.900 39.327 1.573 1
1 135 . 10 1 1 A 12 12 TYR N N 39 122.390 125.561 -3.171 1
1 136 . 10 1 1 A 13 13 CYS H H 40 7.690 7.939 -0.249 1
1 137 . 10 1 1 A 13 13 CYS HA H 40 4.420 5.746 -1.326 1
1 140 . 10 1 1 A 13 13 CYS CA C 40 53.850 54.037 -0.187 1
1 141 . 10 1 1 A 13 13 CYS CB C 40 48.920 45.180 3.740 1
1 142 . 10 1 1 A 14 14 SER H H 41 7.850 8.470 -0.620 1
1 143 . 10 1 1 A 14 14 SER HA H 41 4.160 4.858 -0.698 1
1 146 . 10 1 1 A 14 14 SER CA C 41 58.450 56.338 2.112 1
1 147 . 10 1 1 A 14 14 SER CB C 41 63.840 66.064 -2.224 1
1 148 . 10 1 1 A 14 14 SER N N 41 117.020 118.527 -1.507 1
1 149 . 10 1 1 A 16 16 HIS HA H 43 4.880 4.783 0.097 1
1 152 . 10 1 1 A 16 16 HIS CA C 43 54.770 55.193 -0.423 1
1 153 . 10 1 1 A 16 16 HIS CB C 43 29.490 31.259 -1.769 1
1 154 . 10 1 1 A 17 17 CYS H H 44 8.560 8.633 -0.073 1
1 155 . 10 1 1 A 18 18 PRO HA H 45 4.660 4.578 0.082 1
1 160 . 10 1 1 A 18 18 PRO CA C 45 62.500 62.799 -0.299 1
1 161 . 10 1 1 A 18 18 PRO CB C 45 33.140 32.804 0.336 1
1 164 . 10 1 1 A 19 19 ASP H H 46 8.800 8.660 0.140 1
1 165 . 10 1 1 A 19 19 ASP HA H 46 4.250 4.306 -0.056 1
1 168 . 10 1 1 A 19 19 ASP C C 46 173.430 176.527 -3.097 1
1 169 . 10 1 1 A 19 19 ASP CA C 46 57.190 56.945 0.245 1
1 170 . 10 1 1 A 19 19 ASP CB C 46 40.720 40.606 0.114 1
1 171 . 10 1 1 A 19 19 ASP N N 46 120.170 121.944 -1.774 1
1 172 . 10 1 1 A 20 20 ASP H H 47 8.050 8.258 -0.208 1
1 173 . 10 1 1 A 20 20 ASP HA H 47 4.510 4.636 -0.126 1
1 176 . 10 1 1 A 20 20 ASP C C 47 173.500 176.011 -2.511 1
1 177 . 10 1 1 A 20 20 ASP CA C 47 52.840 53.070 -0.230 1
1 178 . 10 1 1 A 20 20 ASP CB C 47 39.980 39.739 0.241 1
1 179 . 10 1 1 A 20 20 ASP N N 47 114.670 114.895 -0.225 1
1 180 . 10 1 1 A 21 21 ALA H H 48 7.350 7.289 0.061 1
1 181 . 10 1 1 A 21 21 ALA HA H 48 4.280 4.272 0.008 1
1 185 . 10 1 1 A 21 21 ALA C C 48 174.490 176.548 -2.058 1
1 186 . 10 1 1 A 21 21 ALA CA C 48 53.430 52.226 1.204 1
1 187 . 10 1 1 A 21 21 ALA CB C 48 20.870 20.032 0.838 1
1 188 . 10 1 1 A 21 21 ALA N N 48 122.660 122.455 0.205 1
1 189 . 10 1 1 A 22 22 ILE H H 49 7.960 8.141 -0.181 1
1 190 . 10 1 1 A 22 22 ILE HA H 49 4.240 4.584 -0.344 1
1 199 . 10 1 1 A 22 22 ILE C C 49 173.300 176.279 -2.979 1
1 200 . 10 1 1 A 22 22 ILE CA C 49 60.230 59.692 0.538 1
1 201 . 10 1 1 A 22 22 ILE CB C 49 40.280 40.211 0.069 1
1 205 . 10 1 1 A 22 22 ILE N N 49 119.550 119.794 -0.244 1
1 206 . 10 1 1 A 23 23 ASN H H 50 9.280 9.097 0.183 1
1 207 . 10 1 1 A 23 23 ASN HA H 50 4.290 4.450 -0.160 1
1 212 . 10 1 1 A 23 23 ASN CA C 50 54.660 53.871 0.789 1
1 213 . 10 1 1 A 23 23 ASN CB C 50 37.620 36.174 1.446 1
1 214 . 10 1 1 A 23 23 ASN N N 50 125.470 125.197 0.273 1
1 216 . 10 1 1 A 24 24 ASN H H 51 8.850 8.475 0.375 1
1 217 . 10 1 1 A 24 24 ASN HA H 51 4.070 4.066 0.004 1
1 222 . 10 1 1 A 24 24 ASN C C 51 170.660 173.657 -2.997 1
1 223 . 10 1 1 A 24 24 ASN CA C 51 56.080 54.385 1.695 1
1 224 . 10 1 1 A 24 24 ASN CB C 51 37.430 36.761 0.669 1
1 226 . 10 1 1 A 25 25 THR H H 52 7.190 7.489 -0.299 1
1 227 . 10 1 1 A 25 25 THR HA H 52 5.370 5.106 0.264 1
1 232 . 10 1 1 A 25 25 THR C C 52 169.910 172.544 -2.634 1
1 233 . 10 1 1 A 25 25 THR CA C 52 59.890 59.411 0.479 1
1 234 . 10 1 1 A 25 25 THR CB C 52 73.940 72.466 1.474 1
1 236 . 10 1 1 A 25 25 THR N N 52 105.820 106.122 -0.302 1
1 237 . 10 1 1 A 26 26 CYS H H 53 8.960 8.937 0.023 1
1 238 . 10 1 1 A 26 26 CYS HA H 53 5.000 5.440 -0.440 1
1 241 . 10 1 1 A 26 26 CYS C C 53 168.780 171.835 -3.055 1
1 242 . 10 1 1 A 26 26 CYS CA C 53 52.560 53.672 -1.112 1
1 243 . 10 1 1 A 26 26 CYS CB C 53 48.650 46.077 2.573 1
1 244 . 10 1 1 A 26 26 CYS N N 53 116.070 119.254 -3.184 1
1 245 . 10 1 1 A 27 27 ILE H H 54 8.530 8.496 0.034 1
1 246 . 10 1 1 A 27 27 ILE HA H 54 5.210 4.956 0.254 1
1 256 . 10 1 1 A 27 27 ILE C C 54 173.400 174.757 -1.357 1
1 257 . 10 1 1 A 27 27 ILE CA C 54 59.200 60.437 -1.237 1
1 258 . 10 1 1 A 27 27 ILE CB C 54 40.220 39.984 0.236 1
1 262 . 10 1 1 A 27 27 ILE N N 54 120.170 121.409 -1.239 1
1 263 . 10 1 1 A 28 28 THR H H 55 9.200 8.840 0.360 1
1 264 . 10 1 1 A 28 28 THR HA H 55 4.800 5.188 -0.388 1
1 269 . 10 1 1 A 28 28 THR C C 55 168.370 172.628 -4.258 1
1 270 . 10 1 1 A 28 28 THR CA C 55 60.060 59.746 0.314 1
1 271 . 10 1 1 A 28 28 THR CB C 55 70.490 71.314 -0.824 1
1 273 . 10 1 1 A 28 28 THR N N 55 120.750 120.674 0.076 1
1 274 . 10 1 1 A 29 29 ASN H H 56 8.000 8.476 -0.476 1
1 275 . 10 1 1 A 29 29 ASN HA H 56 4.920 4.813 0.107 1
1 280 . 10 1 1 A 29 29 ASN C C 56 172.880 175.196 -2.316 1
1 281 . 10 1 1 A 29 29 ASN CA C 56 52.620 51.503 1.117 1
1 282 . 10 1 1 A 29 29 ASN CB C 56 38.920 38.073 0.847 1
1 283 . 10 1 1 A 29 29 ASN N N 56 120.880 123.534 -2.654 1
1 285 . 10 1 1 A 30 30 GLY H H 57 8.510 7.597 0.913 1
1 286 . 10 1 1 A 30 30 GLY HA2 H 57 4.140 3.906 0.234 1
1 287 . 10 1 1 A 30 30 GLY HA3 H 57 3.960 4.057 -0.097 1
1 288 . 10 1 1 A 30 30 GLY C C 57 169.020 172.890 -3.870 1
1 289 . 10 1 1 A 30 30 GLY CA C 57 45.800 45.281 0.519 1
1 290 . 10 1 1 A 30 30 GLY N N 57 111.380 109.318 2.062 1
1 291 . 10 1 1 A 31 31 HIS H H 58 8.560 7.560 1.000 1
1 292 . 10 1 1 A 31 31 HIS HA H 58 4.710 5.275 -0.565 1
1 295 . 10 1 1 A 31 31 HIS C C 58 171.200 173.835 -2.635 1
1 296 . 10 1 1 A 31 31 HIS CA C 58 56.140 54.660 1.480 1
1 297 . 10 1 1 A 31 31 HIS CB C 58 34.650 34.142 0.508 1
1 298 . 10 1 1 A 31 31 HIS N N 58 120.870 115.208 5.662 1
1 299 . 10 1 1 A 32 32 CYS H H 59 8.710 8.497 0.213 1
1 300 . 10 1 1 A 32 32 CYS HA H 59 5.700 5.256 0.444 1
1 303 . 10 1 1 A 32 32 CYS C C 59 173.470 173.454 0.016 1
1 304 . 10 1 1 A 32 32 CYS CA C 59 52.340 55.115 -2.775 1
1 305 . 10 1 1 A 32 32 CYS CB C 59 36.950 44.231 -7.281 1
1 306 . 10 1 1 A 32 32 CYS N N 59 117.290 119.516 -2.226 1
1 307 . 10 1 1 A 33 33 PHE H H 60 8.700 8.452 0.248 1
1 308 . 10 1 1 A 33 33 PHE HA H 60 6.110 5.720 0.390 1
1 316 . 10 1 1 A 33 33 PHE C C 60 172.200 172.865 -0.665 1
1 317 . 10 1 1 A 33 33 PHE CA C 60 56.630 55.415 1.215 1
1 318 . 10 1 1 A 33 33 PHE CB C 60 44.830 42.328 2.502 1
1 319 . 10 1 1 A 33 33 PHE N N 60 116.070 120.037 -3.967 1
1 320 . 10 1 1 A 34 34 ALA H H 61 9.200 8.383 0.817 1
1 321 . 10 1 1 A 34 34 ALA HA H 61 5.000 4.958 0.042 1
1 325 . 10 1 1 A 34 34 ALA C C 61 171.610 175.705 -4.095 1
1 326 . 10 1 1 A 34 34 ALA CA C 61 52.320 51.491 0.829 1
1 327 . 10 1 1 A 34 34 ALA CB C 61 23.950 23.266 0.684 1
1 328 . 10 1 1 A 34 34 ALA N N 61 125.170 121.035 4.135 1
1 329 . 10 1 1 A 35 35 ILE H H 62 9.470 8.628 0.842 1
1 330 . 10 1 1 A 35 35 ILE HA H 62 5.350 4.925 0.425 1
1 340 . 10 1 1 A 35 35 ILE C C 62 170.850 173.228 -2.378 1
1 341 . 10 1 1 A 35 35 ILE CA C 62 59.260 59.601 -0.341 1
1 342 . 10 1 1 A 35 35 ILE CB C 62 43.660 42.342 1.318 1
1 346 . 10 1 1 A 35 35 ILE N N 62 120.630 119.319 1.311 1
1 347 . 10 1 1 A 36 36 ILE H H 63 8.500 8.919 -0.419 1
1 348 . 10 1 1 A 36 36 ILE HA H 63 5.240 5.252 -0.012 1
1 358 . 10 1 1 A 36 36 ILE C C 63 170.510 173.096 -2.586 1
1 359 . 10 1 1 A 36 36 ILE CA C 63 59.130 59.215 -0.085 1
1 360 . 10 1 1 A 36 36 ILE CB C 63 41.670 42.461 -0.791 1
1 364 . 10 1 1 A 36 36 ILE N N 63 125.830 126.094 -0.264 1
1 365 . 10 1 1 A 37 37 GLU H H 64 8.450 8.755 -0.305 1
1 366 . 10 1 1 A 37 37 GLU HA H 64 5.010 4.906 0.104 1
1 371 . 10 1 1 A 37 37 GLU C C 64 171.410 174.438 -3.028 1
1 372 . 10 1 1 A 37 37 GLU CA C 64 54.830 55.031 -0.201 1
1 373 . 10 1 1 A 37 37 GLU CB C 64 34.320 34.253 0.067 1
1 375 . 10 1 1 A 37 37 GLU N N 64 124.570 127.031 -2.461 1
1 376 . 10 1 1 A 38 38 GLU H H 65 8.300 8.621 -0.321 1
1 377 . 10 1 1 A 38 38 GLU HA H 65 5.040 4.998 0.042 1
1 382 . 10 1 1 A 38 38 GLU C C 65 172.920 175.928 -3.008 1
1 383 . 10 1 1 A 38 38 GLU CA C 65 54.760 55.080 -0.320 1
1 384 . 10 1 1 A 38 38 GLU CB C 65 33.470 31.599 1.871 1
1 386 . 10 1 1 A 38 38 GLU N N 65 123.960 123.694 0.266 1
1 387 . 10 1 1 A 39 39 ASP H H 66 8.470 8.299 0.171 1
1 388 . 10 1 1 A 39 39 ASP HA H 66 4.750 4.899 -0.149 1
1 391 . 10 1 1 A 39 39 ASP C C 66 174.940 177.155 -2.215 1
1 392 . 10 1 1 A 39 39 ASP CA C 66 52.890 52.517 0.373 1
1 393 . 10 1 1 A 39 39 ASP CB C 66 41.990 41.374 0.616 1
1 394 . 10 1 1 A 39 39 ASP N N 66 124.870 126.968 -2.098 1
1 395 . 10 1 1 A 40 40 ASP H H 67 8.380 8.751 -0.371 1
1 396 . 10 1 1 A 40 40 ASP HA H 67 4.310 4.265 0.045 1
1 399 . 10 1 1 A 40 40 ASP C C 67 174.210 177.399 -3.189 1
1 400 . 10 1 1 A 40 40 ASP CA C 67 56.350 56.651 -0.301 1
1 401 . 10 1 1 A 40 40 ASP CB C 67 40.510 40.451 0.059 1
1 402 . 10 1 1 A 40 40 ASP N N 67 116.220 118.603 -2.383 1
1 403 . 10 1 1 A 41 41 GLN H H 68 8.200 7.721 0.479 1
1 404 . 10 1 1 A 41 41 GLN HA H 68 4.380 4.370 0.010 1
1 411 . 10 1 1 A 41 41 GLN C C 68 173.740 176.397 -2.657 1
1 412 . 10 1 1 A 41 41 GLN CA C 68 55.590 55.621 -0.031 1
1 413 . 10 1 1 A 41 41 GLN CB C 68 29.780 29.419 0.361 1
1 415 . 10 1 1 A 41 41 GLN N N 68 117.190 116.650 0.540 1
1 417 . 10 1 1 A 42 42 GLY H H 69 8.000 8.200 -0.200 1
1 418 . 10 1 1 A 42 42 GLY HA2 H 69 3.630 3.914 -0.284 1
1 419 . 10 1 1 A 42 42 GLY HA3 H 69 4.140 3.914 0.226 1
1 420 . 10 1 1 A 42 42 GLY C C 69 171.650 174.273 -2.623 1
1 421 . 10 1 1 A 42 42 GLY CA C 69 45.730 45.708 0.022 1
1 422 . 10 1 1 A 42 42 GLY N N 69 108.130 108.783 -0.653 1
1 423 . 10 1 1 A 43 43 GLU H H 70 8.410 8.045 0.365 1
1 424 . 10 1 1 A 43 43 GLU HA H 70 4.450 4.593 -0.143 1
1 429 . 10 1 1 A 43 43 GLU C C 70 173.970 176.333 -2.363 1
1 430 . 10 1 1 A 43 43 GLU CA C 70 56.020 55.258 0.762 1
1 431 . 10 1 1 A 43 43 GLU CB C 70 30.300 31.072 -0.772 1
1 433 . 10 1 1 A 43 43 GLU N N 70 122.300 119.698 2.602 1
1 434 . 10 1 1 A 44 44 THR H H 71 8.620 8.460 0.160 1
1 435 . 10 1 1 A 44 44 THR HA H 71 5.210 5.187 0.023 1
1 440 . 10 1 1 A 44 44 THR C C 71 172.160 174.067 -1.907 1
1 441 . 10 1 1 A 44 44 THR CA C 71 61.600 60.787 0.813 1
1 442 . 10 1 1 A 44 44 THR CB C 71 71.000 70.077 0.923 1
1 444 . 10 1 1 A 44 44 THR N N 71 117.330 113.871 3.459 1
1 445 . 10 1 1 A 45 45 THR H H 72 8.760 8.632 0.128 1
1 446 . 10 1 1 A 45 45 THR HA H 72 4.500 5.067 -0.567 1
1 451 . 10 1 1 A 45 45 THR C C 72 169.600 173.698 -4.098 1
1 452 . 10 1 1 A 45 45 THR CA C 72 61.270 60.646 0.624 1
1 453 . 10 1 1 A 45 45 THR CB C 72 72.320 70.041 2.279 1
1 455 . 10 1 1 A 45 45 THR N N 72 117.840 118.087 -0.247 1
1 456 . 10 1 1 A 46 46 LEU H H 73 8.400 9.192 -0.792 1
1 457 . 10 1 1 A 46 46 LEU HA H 73 5.250 5.078 0.172 1
1 464 . 10 1 1 A 46 46 LEU C C 73 173.150 175.568 -2.418 1
1 465 . 10 1 1 A 46 46 LEU CA C 73 54.300 53.895 0.405 1
1 466 . 10 1 1 A 46 46 LEU CB C 73 44.860 43.648 1.212 1
1 470 . 10 1 1 A 46 46 LEU N N 73 126.020 127.643 -1.623 1
1 471 . 10 1 1 A 47 47 ALA HA H 74 4.760 5.443 -0.683 1
1 475 . 10 1 1 A 47 47 ALA C C 74 172.740 175.437 -2.697 1
1 476 . 10 1 1 A 47 47 ALA CA C 74 51.440 50.816 0.624 1
1 477 . 10 1 1 A 47 47 ALA CB C 74 23.350 23.722 -0.372 1
1 478 . 10 1 1 A 48 48 SER H H 75 8.700 8.204 0.496 1
1 479 . 10 1 1 A 48 48 SER HA H 75 4.500 4.625 -0.125 1
1 482 . 10 1 1 A 48 48 SER C C 75 171.590 173.023 -1.433 1
1 483 . 10 1 1 A 48 48 SER CA C 75 57.740 56.384 1.356 1
1 484 . 10 1 1 A 48 48 SER CB C 75 65.700 65.976 -0.276 1
1 485 . 10 1 1 A 48 48 SER N N 75 111.400 113.629 -2.229 1
1 486 . 10 1 1 A 49 49 GLY H H 76 6.440 7.232 -0.792 1
1 487 . 10 1 1 A 49 49 GLY HA2 H 76 3.850 3.849 0.001 1
1 488 . 10 1 1 A 49 49 GLY HA3 H 76 3.730 3.874 -0.144 1
1 489 . 10 1 1 A 49 49 GLY C C 76 167.890 171.246 -3.356 1
1 490 . 10 1 1 A 49 49 GLY CA C 76 47.420 45.839 1.581 1
1 491 . 10 1 1 A 49 49 GLY N N 76 105.480 105.741 -0.261 1
1 492 . 10 1 1 A 50 50 CYS H H 77 8.740 8.315 0.425 1
1 493 . 10 1 1 A 50 50 CYS HA H 77 4.950 5.340 -0.390 1
1 496 . 10 1 1 A 50 50 CYS C C 77 170.670 172.709 -2.039 1
1 497 . 10 1 1 A 50 50 CYS CA C 77 60.030 55.275 4.755 1
1 498 . 10 1 1 A 50 50 CYS CB C 77 46.100 43.422 2.678 1
1 499 . 10 1 1 A 50 50 CYS N N 77 118.960 119.774 -0.814 1
1 500 . 10 1 1 A 51 51 MET H H 78 9.240 9.060 0.180 1
1 501 . 10 1 1 A 51 51 MET HA H 78 4.760 4.976 -0.216 1
1 509 . 10 1 1 A 51 51 MET C C 78 171.990 176.017 -4.027 1
1 510 . 10 1 1 A 51 51 MET CA C 78 54.630 54.166 0.464 1
1 511 . 10 1 1 A 51 51 MET CB C 78 35.810 34.931 0.879 1
1 514 . 10 1 1 A 51 51 MET N N 78 122.340 125.937 -3.597 1
1 515 . 10 1 1 A 52 52 LYS H H 79 8.430 8.344 0.086 1
1 516 . 10 1 1 A 52 52 LYS HA H 79 4.160 4.235 -0.075 1
1 525 . 10 1 1 A 52 52 LYS C C 79 173.040 175.760 -2.720 1
1 526 . 10 1 1 A 52 52 LYS CA C 79 57.120 56.073 1.047 1
1 527 . 10 1 1 A 52 52 LYS CB C 79 33.720 32.642 1.078 1
1 531 . 10 1 1 A 52 52 LYS N N 79 125.030 123.887 1.143 1
1 532 . 10 1 1 A 53 53 TYR H H 80 8.400 8.656 -0.256 1
1 533 . 10 1 1 A 53 53 TYR HA H 80 4.200 4.641 -0.441 1
1 536 . 10 1 1 A 53 53 TYR C C 80 173.370 175.435 -2.065 1
1 537 . 10 1 1 A 53 53 TYR CA C 80 59.910 57.822 2.088 1
1 538 . 10 1 1 A 53 53 TYR CB C 80 39.000 39.005 -0.005 1
1 539 . 10 1 1 A 53 53 TYR N N 80 121.420 120.547 0.873 1
1 540 . 10 1 1 A 54 54 GLU H H 81 8.490 9.136 -0.646 1
1 541 . 10 1 1 A 54 54 GLU HA H 81 4.170 4.682 -0.512 1
1 545 . 10 1 1 A 54 54 GLU C C 81 173.240 176.783 -3.543 1
1 546 . 10 1 1 A 54 54 GLU CA C 81 56.440 56.600 -0.160 1
1 547 . 10 1 1 A 54 54 GLU CB C 81 30.860 32.147 -1.287 1
1 549 . 10 1 1 A 54 54 GLU N N 81 123.790 121.647 2.143 1
1 550 . 10 1 1 A 55 55 GLY H H 82 7.200 7.935 -0.735 1
1 551 . 10 1 1 A 55 55 GLY HA2 H 82 4.050 4.072 -0.022 1
1 552 . 10 1 1 A 55 55 GLY HA3 H 82 3.690 4.098 -0.408 1
1 553 . 10 1 1 A 55 55 GLY C C 82 171.520 174.779 -3.259 1
1 554 . 10 1 1 A 55 55 GLY CA C 82 45.680 45.432 0.248 1
1 555 . 10 1 1 A 55 55 GLY N N 82 108.400 107.715 0.685 1
1 556 . 10 1 1 A 56 56 SER H H 83 8.140 8.020 0.120 1
1 557 . 10 1 1 A 56 56 SER HA H 83 4.280 4.426 -0.146 1
1 560 . 10 1 1 A 56 56 SER C C 83 171.900 174.447 -2.547 1
1 561 . 10 1 1 A 56 56 SER CA C 83 59.270 58.651 0.619 1
1 562 . 10 1 1 A 56 56 SER CB C 83 63.960 63.301 0.659 1
1 563 . 10 1 1 A 56 56 SER N N 83 114.650 115.806 -1.156 1
1 564 . 10 1 1 A 57 57 ASP H H 84 8.340 8.970 -0.630 1
1 565 . 10 1 1 A 57 57 ASP HA H 84 4.430 4.694 -0.264 1
1 568 . 10 1 1 A 57 57 ASP C C 84 173.100 176.678 -3.578 1
1 569 . 10 1 1 A 57 57 ASP CA C 84 54.950 56.556 -1.606 1
1 570 . 10 1 1 A 57 57 ASP CB C 84 40.840 41.830 -0.990 1
1 571 . 10 1 1 A 57 57 ASP N N 84 121.230 125.139 -3.909 1
1 572 . 10 1 1 A 58 58 PHE H H 85 7.730 7.673 0.057 1
1 573 . 10 1 1 A 58 58 PHE HA H 85 4.260 4.598 -0.338 1
1 581 . 10 1 1 A 58 58 PHE C C 85 172.590 174.744 -2.154 1
1 582 . 10 1 1 A 58 58 PHE CA C 85 58.520 56.814 1.706 1
1 583 . 10 1 1 A 58 58 PHE CB C 85 39.840 39.980 -0.140 1
1 584 . 10 1 1 A 58 58 PHE N N 85 118.920 117.882 1.038 1
1 585 . 10 1 1 A 59 59 GLN H H 86 7.790 7.680 0.110 1
1 586 . 10 1 1 A 59 59 GLN HA H 86 4.070 4.489 -0.419 1
1 593 . 10 1 1 A 59 59 GLN C C 86 172.550 175.208 -2.658 1
1 594 . 10 1 1 A 59 59 GLN CA C 86 56.000 55.078 0.922 1
1 595 . 10 1 1 A 59 59 GLN CB C 86 30.600 26.686 3.914 1
1 597 . 10 1 1 A 59 59 GLN N N 86 120.280 120.169 0.111 1
1 599 . 10 1 1 A 60 60 CYS H H 87 8.100 8.511 -0.411 1
1 600 . 10 1 1 A 60 60 CYS HA H 87 4.140 4.742 -0.602 1
1 603 . 10 1 1 A 60 60 CYS C C 87 170.910 173.444 -2.534 1
1 604 . 10 1 1 A 60 60 CYS CA C 87 56.810 55.200 1.610 1
1 605 . 10 1 1 A 60 60 CYS CB C 87 40.780 43.021 -2.241 1
1 606 . 10 1 1 A 60 60 CYS N N 87 118.790 123.585 -4.795 1
1 607 . 10 1 1 A 61 61 LYS H H 88 7.610 7.720 -0.110 1
1 608 . 10 1 1 A 61 61 LYS HA H 88 4.280 4.588 -0.308 1
1 617 . 10 1 1 A 61 61 LYS C C 88 172.330 175.407 -3.077 1
1 618 . 10 1 1 A 61 61 LYS CA C 88 56.210 55.316 0.894 1
1 619 . 10 1 1 A 61 61 LYS CB C 88 34.210 33.841 0.369 1
1 623 . 10 1 1 A 61 61 LYS N N 88 120.330 121.398 -1.068 1
1 624 . 10 1 1 A 62 62 ASP H H 89 8.180 8.702 -0.522 1
1 625 . 10 1 1 A 62 62 ASP HA H 89 4.500 5.324 -0.824 1
1 628 . 10 1 1 A 62 62 ASP C C 89 172.970 175.223 -2.253 1
1 629 . 10 1 1 A 62 62 ASP CA C 89 54.200 53.267 0.933 1
1 630 . 10 1 1 A 62 62 ASP CB C 89 42.090 44.119 -2.029 1
1 631 . 10 1 1 A 62 62 ASP N N 89 121.190 119.523 1.667 1
1 632 . 10 1 1 A 63 63 SER H H 90 8.190 8.892 -0.702 1
1 633 . 10 1 1 A 63 63 SER HA H 90 4.640 4.716 -0.076 1
1 636 . 10 1 1 A 63 63 SER C C 90 170.240 174.104 -3.864 1
1 637 . 10 1 1 A 63 63 SER CA C 90 56.600 57.181 -0.581 1
1 638 . 10 1 1 A 63 63 SER CB C 90 63.770 62.718 1.052 1
1 639 . 10 1 1 A 63 63 SER N N 90 116.710 120.263 -3.553 1
1 640 . 10 1 1 A 64 64 PRO HA H 91 4.350 4.595 -0.245 1
1 647 . 10 1 1 A 64 64 PRO CA C 91 63.800 62.716 1.084 1
1 648 . 10 1 1 A 64 64 PRO CB C 91 32.410 29.502 2.908 1
1 651 . 10 1 1 A 65 65 LYS H H 92 8.240 8.001 0.239 1
1 652 . 10 1 1 A 65 65 LYS HA H 92 4.210 4.635 -0.425 1
1 661 . 10 1 1 A 65 65 LYS C C 92 173.330 176.440 -3.110 1
1 662 . 10 1 1 A 65 65 LYS CA C 92 56.410 55.485 0.925 1
1 663 . 10 1 1 A 65 65 LYS CB C 92 33.230 32.972 0.258 1
1 667 . 10 1 1 A 65 65 LYS N N 92 120.180 117.839 2.341 1
1 668 . 10 1 1 A 66 66 ALA H H 93 8.040 7.460 0.580 1
1 669 . 10 1 1 A 66 66 ALA HA H 93 4.210 4.343 -0.133 1
1 673 . 10 1 1 A 66 66 ALA C C 93 174.580 177.277 -2.697 1
1 674 . 10 1 1 A 66 66 ALA CA C 93 53.020 51.352 1.668 1
1 675 . 10 1 1 A 66 66 ALA CB C 93 19.760 20.076 -0.316 1
1 676 . 10 1 1 A 66 66 ALA N N 93 124.050 121.990 2.060 1
1 677 . 10 1 1 A 67 67 GLN H H 94 8.320 8.107 0.213 1
1 678 . 10 1 1 A 67 67 GLN HA H 94 4.190 4.282 -0.092 1
1 685 . 10 1 1 A 67 67 GLN C C 94 172.780 175.295 -2.515 1
1 686 . 10 1 1 A 67 67 GLN CA C 94 56.750 54.751 1.999 1
1 687 . 10 1 1 A 67 67 GLN CB C 94 29.100 30.112 -1.012 1
1 689 . 10 1 1 A 67 67 GLN N N 94 117.930 118.169 -0.239 1
1 691 . 10 1 1 A 68 68 LEU H H 95 7.730 8.090 -0.360 1
1 692 . 10 1 1 A 68 68 LEU HA H 95 4.360 4.345 0.015 1
1 702 . 10 1 1 A 68 68 LEU C C 95 174.270 177.108 -2.838 1
1 703 . 10 1 1 A 68 68 LEU CA C 95 54.970 54.998 -0.028 1
1 704 . 10 1 1 A 68 68 LEU CB C 95 43.120 43.201 -0.081 1
1 708 . 10 1 1 A 68 68 LEU N N 95 120.470 123.679 -3.209 1
1 709 . 10 1 1 A 69 69 ARG H H 96 8.600 8.678 -0.078 1
1 710 . 10 1 1 A 69 69 ARG HA H 96 4.230 4.424 -0.194 1
1 718 . 10 1 1 A 69 69 ARG C C 96 171.700 176.285 -4.585 1
1 719 . 10 1 1 A 69 69 ARG CA C 96 56.570 56.551 0.019 1
1 720 . 10 1 1 A 69 69 ARG CB C 96 30.660 30.757 -0.097 1
1 723 . 10 1 1 A 69 69 ARG N N 96 121.670 123.375 -1.705 1
1 725 . 10 1 1 A 70 70 ARG H H 97 7.800 8.662 -0.862 1
1 726 . 10 1 1 A 70 70 ARG HA H 97 5.170 5.197 -0.027 1
1 734 . 10 1 1 A 70 70 ARG C C 97 172.120 173.435 -1.315 1
1 735 . 10 1 1 A 70 70 ARG CA C 97 55.260 54.710 0.550 1
1 736 . 10 1 1 A 70 70 ARG CB C 97 34.040 34.143 -0.103 1
1 739 . 10 1 1 A 70 70 ARG N N 97 120.130 120.640 -0.510 1
1 741 . 10 1 1 A 71 71 THR H H 98 8.610 8.199 0.411 1
1 742 . 10 1 1 A 71 71 THR HA H 98 4.600 5.178 -0.578 1
1 747 . 10 1 1 A 71 71 THR C C 98 169.250 173.519 -4.269 1
1 748 . 10 1 1 A 71 71 THR CA C 98 62.030 61.387 0.643 1
1 749 . 10 1 1 A 71 71 THR CB C 98 71.970 71.976 -0.006 1
1 751 . 10 1 1 A 71 71 THR N N 98 118.550 113.866 4.684 1
1 752 . 10 1 1 A 72 72 ILE H H 99 8.520 8.692 -0.172 1
1 753 . 10 1 1 A 72 72 ILE HA H 99 5.080 5.089 -0.009 1
1 763 . 10 1 1 A 72 72 ILE C C 99 170.930 172.928 -1.998 1
1 764 . 10 1 1 A 72 72 ILE CA C 99 59.370 59.322 0.048 1
1 765 . 10 1 1 A 72 72 ILE CB C 99 42.140 42.397 -0.257 1
1 769 . 10 1 1 A 72 72 ILE N N 99 125.230 122.853 2.377 1
1 770 . 10 1 1 A 73 73 GLU H H 100 8.860 8.604 0.256 1
1 771 . 10 1 1 A 73 73 GLU HA H 100 4.670 5.041 -0.371 1
1 776 . 10 1 1 A 73 73 GLU C C 100 172.200 175.286 -3.086 1
1 777 . 10 1 1 A 73 73 GLU CA C 100 55.840 54.808 1.032 1
1 778 . 10 1 1 A 73 73 GLU CB C 100 34.410 34.148 0.262 1
1 780 . 10 1 1 A 73 73 GLU N N 100 125.680 125.639 0.041 1
1 781 . 10 1 1 A 74 74 CYS H H 101 8.830 8.518 0.312 1
1 782 . 10 1 1 A 74 74 CYS HA H 101 5.790 5.373 0.417 1
1 785 . 10 1 1 A 74 74 CYS C C 101 170.360 171.918 -1.558 1
1 786 . 10 1 1 A 74 74 CYS CA C 101 55.010 54.624 0.386 1
1 787 . 10 1 1 A 74 74 CYS CB C 101 45.320 46.103 -0.783 1
1 788 . 10 1 1 A 74 74 CYS N N 101 119.260 118.893 0.367 1
1 789 . 10 1 1 A 75 75 CYS H H 102 9.130 8.484 0.646 1
1 790 . 10 1 1 A 75 75 CYS HA H 102 5.000 5.278 -0.278 1
1 793 . 10 1 1 A 75 75 CYS C C 102 170.670 171.968 -1.298 1
1 794 . 10 1 1 A 75 75 CYS CA C 102 56.180 55.080 1.100 1
1 795 . 10 1 1 A 75 75 CYS CB C 102 46.090 46.318 -0.228 1
1 796 . 10 1 1 A 75 75 CYS N N 102 116.460 118.759 -2.299 1
1 797 . 10 1 1 A 76 76 ARG H H 103 9.240 9.166 0.074 1
1 798 . 10 1 1 A 76 76 ARG HA H 103 4.800 4.728 0.072 1
1 806 . 10 1 1 A 76 76 ARG C C 103 172.120 174.810 -2.690 1
1 807 . 10 1 1 A 76 76 ARG CA C 103 56.230 55.055 1.175 1
1 808 . 10 1 1 A 76 76 ARG CB C 103 32.610 30.251 2.359 1
1 811 . 10 1 1 A 76 76 ARG N N 103 122.520 125.030 -2.510 1
1 813 . 10 1 1 A 77 77 THR H H 104 7.440 7.731 -0.291 1
1 814 . 10 1 1 A 77 77 THR HA H 104 4.600 5.187 -0.587 1
1 819 . 10 1 1 A 77 77 THR C C 104 171.890 173.428 -1.538 1
1 820 . 10 1 1 A 77 77 THR CA C 104 61.270 59.575 1.695 1
1 821 . 10 1 1 A 77 77 THR CB C 104 72.490 72.138 0.352 1
1 823 . 10 1 1 A 77 77 THR N N 104 109.730 111.970 -2.240 1
1 824 . 10 1 1 A 78 78 ASN H H 105 8.590 8.684 -0.094 1
1 825 . 10 1 1 A 78 78 ASN HA H 105 4.790 4.677 0.113 1
1 830 . 10 1 1 A 78 78 ASN C C 105 174.150 175.294 -1.144 1
1 831 . 10 1 1 A 78 78 ASN CA C 105 55.870 54.081 1.789 1
1 832 . 10 1 1 A 78 78 ASN CB C 105 39.260 38.250 1.010 1
1 833 . 10 1 1 A 78 78 ASN N N 105 119.360 119.584 -0.224 1
1 835 . 10 1 1 A 79 79 LEU H H 106 9.980 8.807 1.173 1
1 836 . 10 1 1 A 79 79 LEU HA H 106 3.680 3.909 -0.229 1
1 846 . 10 1 1 A 79 79 LEU C C 106 175.050 177.523 -2.473 1
1 847 . 10 1 1 A 79 79 LEU CA C 106 56.790 56.084 0.706 1
1 848 . 10 1 1 A 79 79 LEU CB C 106 38.920 39.341 -0.421 1
1 852 . 10 1 1 A 79 79 LEU N N 106 118.230 117.723 0.507 1
1 853 . 10 1 1 A 80 80 CYS H H 107 8.250 8.019 0.231 1
1 854 . 10 1 1 A 80 80 CYS HA H 107 4.320 4.440 -0.120 1
1 857 . 10 1 1 A 80 80 CYS C C 107 172.470 174.911 -2.441 1
1 858 . 10 1 1 A 80 80 CYS CA C 107 58.370 58.718 -0.348 1
1 859 . 10 1 1 A 80 80 CYS CB C 107 46.090 42.124 3.966 1
1 860 . 10 1 1 A 80 80 CYS N N 107 115.460 116.206 -0.746 1
1 861 . 10 1 1 A 81 81 ASN H H 108 8.590 7.953 0.637 1
1 862 . 10 1 1 A 81 81 ASN HA H 108 4.430 4.654 -0.224 1
1 867 . 10 1 1 A 81 81 ASN C C 108 172.210 177.364 -5.154 1
1 868 . 10 1 1 A 81 81 ASN CA C 108 53.320 54.810 -1.490 1
1 869 . 10 1 1 A 81 81 ASN CB C 108 37.290 38.608 -1.318 1
1 870 . 10 1 1 A 81 81 ASN N N 108 118.040 119.318 -1.278 1
1 872 . 10 1 1 A 82 82 GLN H H 109 7.490 8.073 -0.583 1
1 873 . 10 1 1 A 82 82 GLN HA H 109 3.380 3.585 -0.205 1
1 880 . 10 1 1 A 82 82 GLN C C 109 172.300 176.823 -4.523 1
1 881 . 10 1 1 A 82 82 GLN CA C 109 58.940 58.244 0.696 1
1 882 . 10 1 1 A 82 82 GLN CB C 109 28.770 27.740 1.030 1
1 884 . 10 1 1 A 82 82 GLN N N 109 121.350 119.967 1.383 1
1 886 . 10 1 1 A 83 83 TYR H H 110 7.830 7.654 0.176 1
1 887 . 10 1 1 A 83 83 TYR HA H 110 4.590 4.652 -0.062 1
1 892 . 10 1 1 A 83 83 TYR CA C 110 56.490 57.344 -0.854 1
1 893 . 10 1 1 A 83 83 TYR CB C 110 38.400 38.058 0.342 1
1 894 . 10 1 1 A 83 83 TYR N N 110 114.600 116.543 -1.943 1
1 895 . 10 1 1 A 84 84 LEU H H 111 6.610 7.369 -0.759 1
1 896 . 10 1 1 A 84 84 LEU HA H 111 4.170 4.991 -0.821 1
1 905 . 10 1 1 A 84 84 LEU C C 111 172.880 174.750 -1.870 1
1 906 . 10 1 1 A 84 84 LEU CA C 111 55.250 53.516 1.734 1
1 907 . 10 1 1 A 84 84 LEU CB C 111 43.400 45.064 -1.664 1
1 911 . 10 1 1 A 84 84 LEU N N 111 120.140 121.988 -1.848 1
1 912 . 10 1 1 A 85 85 GLN H H 112 8.780 8.916 -0.136 1
1 913 . 10 1 1 A 85 85 GLN HA H 112 4.570 4.815 -0.245 1
1 920 . 10 1 1 A 85 85 GLN C C 112 169.480 174.438 -4.958 1
1 921 . 10 1 1 A 85 85 GLN CA C 112 53.110 52.763 0.347 1
1 922 . 10 1 1 A 85 85 GLN CB C 112 30.000 30.101 -0.101 1
1 924 . 10 1 1 A 85 85 GLN N N 112 122.790 127.746 -4.956 1
1 926 . 10 1 1 A 86 86 PRO HA H 113 4.400 4.863 -0.463 1
1 931 . 10 1 1 A 86 86 PRO CA C 113 63.040 62.524 0.516 1
1 932 . 10 1 1 A 86 86 PRO CB C 113 32.400 32.248 0.152 1
1 935 . 10 1 1 A 87 87 THR H H 114 8.180 8.487 -0.307 1
1 936 . 10 1 1 A 87 87 THR HA H 114 4.400 5.034 -0.634 1
1 941 . 10 1 1 A 87 87 THR C C 114 172.180 173.098 -0.918 1
1 942 . 10 1 1 A 87 87 THR CA C 114 60.960 59.732 1.228 1
1 943 . 10 1 1 A 87 87 THR CB C 114 71.290 72.118 -0.828 1
1 945 . 10 1 1 A 87 87 THR N N 114 111.930 112.580 -0.650 1
1 946 . 10 1 1 A 88 88 LEU H H 115 8.580 8.591 -0.011 1
1 947 . 10 1 1 A 88 88 LEU HA H 115 4.300 4.853 -0.553 1
1 956 . 10 1 1 A 88 88 LEU C C 115 171.740 175.355 -3.615 1
1 957 . 10 1 1 A 88 88 LEU CA C 115 53.230 52.661 0.569 1
1 958 . 10 1 1 A 88 88 LEU CB C 115 41.900 42.297 -0.397 1
1 962 . 10 1 1 A 88 88 LEU N N 115 125.290 124.676 0.614 1
1 963 . 10 1 1 A 89 89 PRO HA H 116 4.630 4.658 -0.028 1
1 970 . 10 1 1 A 89 89 PRO CA C 116 61.580 61.412 0.168 1
1 971 . 10 1 1 A 89 89 PRO CB C 116 30.980 31.611 -0.631 1
1 974 . 10 1 1 A 90 90 PRO HA H 117 4.350 4.517 -0.167 1
1 977 . 10 1 1 A 90 90 PRO CA C 117 63.010 62.543 0.467 1
1 978 . 10 1 1 A 90 90 PRO CB C 117 32.300 32.000 0.300 1
1 981 . 10 1 1 A 91 91 VAL H H 118 8.190 8.435 -0.245 1
1 982 . 10 1 1 A 91 91 VAL HA H 118 3.900 4.378 -0.478 1
1 990 . 10 1 1 A 91 91 VAL C C 118 173.270 176.395 -3.125 1
1 991 . 10 1 1 A 91 91 VAL CA C 118 62.890 62.607 0.283 1
1 992 . 10 1 1 A 91 91 VAL CB C 118 32.980 32.124 0.856 1
1 994 . 10 1 1 A 91 91 VAL N N 118 120.460 122.024 -1.564 1
1 995 . 10 1 1 A 92 92 VAL H H 119 8.180 8.510 -0.330 1
1 996 . 10 1 1 A 92 92 VAL HA H 119 4.040 4.327 -0.287 1
1 1004 . 10 1 1 A 92 92 VAL C C 119 172.960 175.530 -2.570 1
1 1005 . 10 1 1 A 92 92 VAL CA C 119 62.250 62.043 0.207 1
1 1006 . 10 1 1 A 92 92 VAL CB C 119 33.280 32.595 0.685 1
1 1008 . 10 1 1 A 92 92 VAL N N 119 125.030 124.355 0.675 1
1 1009 . 10 1 1 A 93 93 ILE H H 120 8.220 8.691 -0.471 1
1 1010 . 10 1 1 A 93 93 ILE HA H 120 4.110 4.449 -0.339 1
1 1015 . 10 1 1 A 93 93 ILE C C 120 173.440 176.690 -3.250 1
1 1016 . 10 1 1 A 93 93 ILE CA C 120 61.050 61.022 0.028 1
1 1017 . 10 1 1 A 93 93 ILE CB C 120 39.030 37.574 1.456 1
1 1021 . 10 1 1 A 93 93 ILE N N 120 125.690 127.164 -1.474 1
1 1022 . 10 1 1 A 94 94 GLY H H 121 8.190 8.613 -0.423 1
1 1023 . 10 1 1 A 94 94 GLY HA2 H 121 4.050 4.154 -0.104 1
1 1024 . 10 1 1 A 94 94 GLY HA3 H 121 3.940 4.163 -0.223 1
1 1025 . 10 1 1 A 94 94 GLY C C 121 169.080 173.245 -4.165 1
1 1026 . 10 1 1 A 94 94 GLY CA C 121 44.850 44.448 0.402 1
1 1027 . 10 1 1 A 94 94 GLY N N 121 113.150 115.237 -2.087 1
1 1028 . 10 1 1 A 95 95 PRO HA H 122 4.270 4.658 -0.388 1
1 1032 . 10 1 1 A 95 95 PRO CA C 122 63.340 62.856 0.484 1
1 1033 . 10 1 1 A 95 95 PRO CB C 122 32.160 32.147 0.013 1
1 1036 . 10 1 1 A 96 96 PHE H H 123 8.140 8.597 -0.457 1
1 1037 . 10 1 1 A 96 96 PHE HA H 123 4.510 4.879 -0.369 1
1 1040 . 10 1 1 A 96 96 PHE C C 123 172.700 175.374 -2.674 1
1 1041 . 10 1 1 A 96 96 PHE CA C 123 58.040 56.206 1.834 1
1 1042 . 10 1 1 A 96 96 PHE CB C 123 39.710 40.774 -1.064 1
1 1043 . 10 1 1 A 96 96 PHE N N 123 119.410 118.272 1.138 1
1 1044 . 10 1 1 A 97 97 PHE H H 124 8.000 8.612 -0.612 1
1 1045 . 10 1 1 A 97 97 PHE HA H 124 4.490 5.089 -0.599 1
1 1048 . 10 1 1 A 97 97 PHE C C 124 172.140 174.372 -2.232 1
1 1049 . 10 1 1 A 97 97 PHE CA C 124 58.000 55.799 2.201 1
1 1050 . 10 1 1 A 97 97 PHE CB C 124 40.140 40.583 -0.443 1
1 1051 . 10 1 1 A 97 97 PHE N N 124 122.180 115.929 6.251 1
1 1052 . 10 1 1 A 98 98 ASP H H 125 8.100 9.254 -1.154 1
1 1053 . 10 1 1 A 98 98 ASP HA H 125 4.400 4.577 -0.177 1
1 1056 . 10 1 1 A 98 98 ASP C C 125 173.870 176.251 -2.381 1
1 1057 . 10 1 1 A 98 98 ASP CA C 125 54.470 55.881 -1.411 1
1 1058 . 10 1 1 A 98 98 ASP CB C 125 41.390 42.023 -0.633 1
1 1059 . 10 1 1 A 98 98 ASP N N 125 123.000 120.296 2.704 1
1 1060 . 10 1 1 A 99 99 GLY H H 126 8.010 7.808 0.202 1
1 1061 . 10 1 1 A 99 99 GLY HA3 H 126 3.860 4.217 -0.357 1
1 1062 . 10 1 1 A 99 99 GLY C C 126 171.640 172.157 -0.517 1
1 1063 . 10 1 1 A 99 99 GLY CA C 126 45.860 45.540 0.320 1
1 1064 . 10 1 1 A 99 99 GLY N N 126 109.280 106.648 2.632 1
1 1065 . 10 1 1 A 100 100 SER H H 127 8.110 8.558 -0.448 1
1 1066 . 10 1 1 A 100 100 SER HA H 127 4.320 5.156 -0.836 1
1 1069 . 10 1 1 A 100 100 SER C C 127 171.520 173.225 -1.705 1
1 1070 . 10 1 1 A 100 100 SER CA C 127 59.190 57.478 1.712 1
1 1071 . 10 1 1 A 100 100 SER CB C 127 64.240 66.198 -1.958 1
1 1072 . 10 1 1 A 100 100 SER N N 127 115.760 114.035 1.725 1
1 1073 . 10 1 1 A 101 101 ILE H H 128 7.960 8.872 -0.912 1
1 1074 . 10 1 1 A 101 101 ILE HA H 128 4.110 4.475 -0.365 1
1 1084 . 10 1 1 A 101 101 ILE C C 128 172.590 175.117 -2.527 1
1 1085 . 10 1 1 A 101 101 ILE CA C 128 61.800 60.472 1.328 1
1 1086 . 10 1 1 A 101 101 ILE CB C 128 38.820 39.069 -0.249 1
1 1090 . 10 1 1 A 101 101 ILE N N 128 122.050 126.388 -4.338 1
1 1 . 11 1 1 A 2 2 PRO HA H 29 4.310 4.534 -0.224 1
1 8 . 11 1 1 A 2 2 PRO CA C 29 64.380 63.203 1.177 1
1 9 . 11 1 1 A 2 2 PRO CB C 29 32.300 31.628 0.672 1
1 12 . 11 1 1 A 3 3 GLU H H 30 9.010 8.786 0.224 1
1 13 . 11 1 1 A 3 3 GLU HA H 30 4.170 4.488 -0.318 1
1 18 . 11 1 1 A 3 3 GLU C C 30 173.730 175.709 -1.979 1
1 19 . 11 1 1 A 3 3 GLU CA C 30 57.560 55.979 1.581 1
1 20 . 11 1 1 A 3 3 GLU CB C 30 29.400 29.150 0.250 1
1 22 . 11 1 1 A 3 3 GLU N N 30 118.790 122.272 -3.482 1
1 23 . 11 1 1 A 4 4 ASP H H 31 7.940 7.856 0.084 1
1 24 . 11 1 1 A 4 4 ASP HA H 31 4.560 4.755 -0.195 1
1 27 . 11 1 1 A 4 4 ASP C C 31 173.600 174.891 -1.291 1
1 28 . 11 1 1 A 4 4 ASP CA C 31 54.940 53.802 1.138 1
1 29 . 11 1 1 A 4 4 ASP CB C 31 41.650 39.727 1.923 1
1 30 . 11 1 1 A 4 4 ASP N N 31 119.920 119.705 0.215 1
1 31 . 11 1 1 A 5 5 THR H H 32 7.810 8.409 -0.599 1
1 32 . 11 1 1 A 5 5 THR HA H 32 4.160 4.794 -0.634 1
1 37 . 11 1 1 A 5 5 THR C C 32 171.630 173.978 -2.348 1
1 38 . 11 1 1 A 5 5 THR CA C 32 62.410 61.998 0.412 1
1 39 . 11 1 1 A 5 5 THR CB C 32 70.040 68.795 1.245 1
1 41 . 11 1 1 A 5 5 THR N N 32 113.570 118.244 -4.674 1
1 42 . 11 1 1 A 6 6 LEU H H 33 8.100 9.041 -0.941 1
1 43 . 11 1 1 A 6 6 LEU HA H 33 4.490 4.712 -0.222 1
1 53 . 11 1 1 A 6 6 LEU C C 33 172.440 174.914 -2.474 1
1 54 . 11 1 1 A 6 6 LEU CA C 33 53.430 53.286 0.144 1
1 55 . 11 1 1 A 6 6 LEU CB C 33 41.900 41.240 0.660 1
1 59 . 11 1 1 A 6 6 LEU N N 33 125.790 128.738 -2.948 1
1 60 . 11 1 1 A 7 7 PRO HA H 34 4.130 4.567 -0.437 1
1 67 . 11 1 1 A 7 7 PRO CA C 34 63.660 62.845 0.815 1
1 68 . 11 1 1 A 7 7 PRO CB C 34 31.970 32.111 -0.141 1
1 71 . 11 1 1 A 8 8 PHE H H 35 7.610 8.428 -0.818 1
1 72 . 11 1 1 A 8 8 PHE HA H 35 4.580 4.805 -0.225 1
1 77 . 11 1 1 A 8 8 PHE C C 35 171.110 174.582 -3.472 1
1 78 . 11 1 1 A 8 8 PHE CA C 35 57.690 56.191 1.499 1
1 79 . 11 1 1 A 8 8 PHE CB C 35 40.850 38.687 2.163 1
1 80 . 11 1 1 A 8 8 PHE N N 35 117.670 117.420 0.250 1
1 81 . 11 1 1 A 9 9 LEU H H 36 8.310 7.696 0.614 1
1 82 . 11 1 1 A 9 9 LEU HA H 36 4.420 4.821 -0.401 1
1 92 . 11 1 1 A 9 9 LEU C C 36 171.050 174.009 -2.959 1
1 93 . 11 1 1 A 9 9 LEU CA C 36 54.770 54.418 0.352 1
1 94 . 11 1 1 A 9 9 LEU CB C 36 44.230 45.282 -1.052 1
1 98 . 11 1 1 A 9 9 LEU N N 36 125.150 121.957 3.193 1
1 99 . 11 1 1 A 10 10 LYS H H 37 8.130 9.333 -1.203 1
1 100 . 11 1 1 A 10 10 LYS HA H 37 5.110 5.183 -0.073 1
1 109 . 11 1 1 A 10 10 LYS C C 37 172.470 174.969 -2.499 1
1 110 . 11 1 1 A 10 10 LYS CA C 37 54.730 55.041 -0.311 1
1 111 . 11 1 1 A 10 10 LYS CB C 37 35.010 34.264 0.746 1
1 115 . 11 1 1 A 10 10 LYS N N 37 123.550 128.065 -4.515 1
1 116 . 11 1 1 A 11 11 CYS H H 38 9.240 8.837 0.403 1
1 117 . 11 1 1 A 11 11 CYS HA H 38 4.890 5.454 -0.564 1
1 120 . 11 1 1 A 11 11 CYS C C 38 171.750 171.996 -0.246 1
1 121 . 11 1 1 A 11 11 CYS CA C 38 51.950 54.752 -2.802 1
1 122 . 11 1 1 A 11 11 CYS CB C 38 41.360 45.170 -3.810 1
1 123 . 11 1 1 A 11 11 CYS N N 38 121.580 123.982 -2.402 1
1 124 . 11 1 1 A 12 12 TYR H H 39 8.830 8.949 -0.119 1
1 125 . 11 1 1 A 12 12 TYR HA H 39 4.780 4.675 0.105 1
1 132 . 11 1 1 A 12 12 TYR C C 39 172.260 174.858 -2.598 1
1 133 . 11 1 1 A 12 12 TYR CA C 39 58.500 58.813 -0.313 1
1 134 . 11 1 1 A 12 12 TYR CB C 39 40.900 39.340 1.560 1
1 135 . 11 1 1 A 12 12 TYR N N 39 122.390 125.519 -3.129 1
1 136 . 11 1 1 A 13 13 CYS H H 40 7.690 7.943 -0.253 1
1 137 . 11 1 1 A 13 13 CYS HA H 40 4.420 5.699 -1.279 1
1 140 . 11 1 1 A 13 13 CYS CA C 40 53.850 54.064 -0.214 1
1 141 . 11 1 1 A 13 13 CYS CB C 40 48.920 44.996 3.924 1
1 142 . 11 1 1 A 14 14 SER H H 41 7.850 8.694 -0.844 1
1 143 . 11 1 1 A 14 14 SER HA H 41 4.160 4.948 -0.788 1
1 146 . 11 1 1 A 14 14 SER CA C 41 58.450 57.248 1.202 1
1 147 . 11 1 1 A 14 14 SER CB C 41 63.840 66.487 -2.647 1
1 148 . 11 1 1 A 14 14 SER N N 41 117.020 119.604 -2.584 1
1 149 . 11 1 1 A 16 16 HIS HA H 43 4.880 4.852 0.028 1
1 152 . 11 1 1 A 16 16 HIS CA C 43 54.770 55.178 -0.408 1
1 153 . 11 1 1 A 16 16 HIS CB C 43 29.490 31.515 -2.025 1
1 154 . 11 1 1 A 17 17 CYS H H 44 8.560 8.657 -0.097 1
1 155 . 11 1 1 A 18 18 PRO HA H 45 4.660 4.588 0.072 1
1 160 . 11 1 1 A 18 18 PRO CA C 45 62.500 62.804 -0.304 1
1 161 . 11 1 1 A 18 18 PRO CB C 45 33.140 32.800 0.340 1
1 164 . 11 1 1 A 19 19 ASP H H 46 8.800 8.649 0.151 1
1 165 . 11 1 1 A 19 19 ASP HA H 46 4.250 4.308 -0.058 1
1 168 . 11 1 1 A 19 19 ASP C C 46 173.430 176.526 -3.096 1
1 169 . 11 1 1 A 19 19 ASP CA C 46 57.190 56.945 0.245 1
1 170 . 11 1 1 A 19 19 ASP CB C 46 40.720 40.611 0.109 1
1 171 . 11 1 1 A 19 19 ASP N N 46 120.170 121.887 -1.717 1
1 172 . 11 1 1 A 20 20 ASP H H 47 8.050 8.263 -0.213 1
1 173 . 11 1 1 A 20 20 ASP HA H 47 4.510 4.637 -0.127 1
1 176 . 11 1 1 A 20 20 ASP C C 47 173.500 176.009 -2.509 1
1 177 . 11 1 1 A 20 20 ASP CA C 47 52.840 53.081 -0.241 1
1 178 . 11 1 1 A 20 20 ASP CB C 47 39.980 39.737 0.243 1
1 179 . 11 1 1 A 20 20 ASP N N 47 114.670 114.908 -0.238 1
1 180 . 11 1 1 A 21 21 ALA H H 48 7.350 7.298 0.052 1
1 181 . 11 1 1 A 21 21 ALA HA H 48 4.280 4.276 0.004 1
1 185 . 11 1 1 A 21 21 ALA C C 48 174.490 176.590 -2.100 1
1 186 . 11 1 1 A 21 21 ALA CA C 48 53.430 52.386 1.044 1
1 187 . 11 1 1 A 21 21 ALA CB C 48 20.870 20.059 0.811 1
1 188 . 11 1 1 A 21 21 ALA N N 48 122.660 122.455 0.205 1
1 189 . 11 1 1 A 22 22 ILE H H 49 7.960 8.160 -0.200 1
1 190 . 11 1 1 A 22 22 ILE HA H 49 4.240 4.591 -0.351 1
1 199 . 11 1 1 A 22 22 ILE C C 49 173.300 176.289 -2.989 1
1 200 . 11 1 1 A 22 22 ILE CA C 49 60.230 59.723 0.507 1
1 201 . 11 1 1 A 22 22 ILE CB C 49 40.280 40.206 0.074 1
1 205 . 11 1 1 A 22 22 ILE N N 49 119.550 119.793 -0.243 1
1 206 . 11 1 1 A 23 23 ASN H H 50 9.280 9.099 0.181 1
1 207 . 11 1 1 A 23 23 ASN HA H 50 4.290 4.447 -0.157 1
1 212 . 11 1 1 A 23 23 ASN CA C 50 54.660 53.873 0.787 1
1 213 . 11 1 1 A 23 23 ASN CB C 50 37.620 36.175 1.445 1
1 214 . 11 1 1 A 23 23 ASN N N 50 125.470 125.351 0.119 1
1 216 . 11 1 1 A 24 24 ASN H H 51 8.850 8.484 0.366 1
1 217 . 11 1 1 A 24 24 ASN HA H 51 4.070 4.079 -0.009 1
1 222 . 11 1 1 A 24 24 ASN C C 51 170.660 173.689 -3.029 1
1 223 . 11 1 1 A 24 24 ASN CA C 51 56.080 54.409 1.671 1
1 224 . 11 1 1 A 24 24 ASN CB C 51 37.430 36.798 0.632 1
1 226 . 11 1 1 A 25 25 THR H H 52 7.190 7.464 -0.274 1
1 227 . 11 1 1 A 25 25 THR HA H 52 5.370 5.054 0.316 1
1 232 . 11 1 1 A 25 25 THR C C 52 169.910 172.543 -2.633 1
1 233 . 11 1 1 A 25 25 THR CA C 52 59.890 59.406 0.484 1
1 234 . 11 1 1 A 25 25 THR CB C 52 73.940 72.450 1.490 1
1 236 . 11 1 1 A 25 25 THR N N 52 105.820 106.103 -0.283 1
1 237 . 11 1 1 A 26 26 CYS H H 53 8.960 8.937 0.023 1
1 238 . 11 1 1 A 26 26 CYS HA H 53 5.000 5.397 -0.397 1
1 241 . 11 1 1 A 26 26 CYS C C 53 168.780 171.779 -2.999 1
1 242 . 11 1 1 A 26 26 CYS CA C 53 52.560 53.793 -1.233 1
1 243 . 11 1 1 A 26 26 CYS CB C 53 48.650 46.241 2.409 1
1 244 . 11 1 1 A 26 26 CYS N N 53 116.070 119.248 -3.178 1
1 245 . 11 1 1 A 27 27 ILE H H 54 8.530 8.518 0.012 1
1 246 . 11 1 1 A 27 27 ILE HA H 54 5.210 4.980 0.230 1
1 256 . 11 1 1 A 27 27 ILE C C 54 173.400 174.893 -1.493 1
1 257 . 11 1 1 A 27 27 ILE CA C 54 59.200 60.274 -1.074 1
1 258 . 11 1 1 A 27 27 ILE CB C 54 40.220 40.063 0.157 1
1 262 . 11 1 1 A 27 27 ILE N N 54 120.170 121.580 -1.410 1
1 263 . 11 1 1 A 28 28 THR H H 55 9.200 8.763 0.437 1
1 264 . 11 1 1 A 28 28 THR HA H 55 4.800 5.236 -0.436 1
1 269 . 11 1 1 A 28 28 THR C C 55 168.370 172.452 -4.082 1
1 270 . 11 1 1 A 28 28 THR CA C 55 60.060 59.561 0.499 1
1 271 . 11 1 1 A 28 28 THR CB C 55 70.490 71.133 -0.643 1
1 273 . 11 1 1 A 28 28 THR N N 55 120.750 119.861 0.889 1
1 274 . 11 1 1 A 29 29 ASN H H 56 8.000 8.417 -0.417 1
1 275 . 11 1 1 A 29 29 ASN HA H 56 4.920 4.865 0.055 1
1 280 . 11 1 1 A 29 29 ASN C C 56 172.880 175.445 -2.565 1
1 281 . 11 1 1 A 29 29 ASN CA C 56 52.620 51.526 1.094 1
1 282 . 11 1 1 A 29 29 ASN CB C 56 38.920 38.064 0.856 1
1 283 . 11 1 1 A 29 29 ASN N N 56 120.880 123.465 -2.585 1
1 285 . 11 1 1 A 30 30 GLY H H 57 8.510 7.741 0.769 1
1 286 . 11 1 1 A 30 30 GLY HA2 H 57 4.140 4.107 0.033 1
1 287 . 11 1 1 A 30 30 GLY HA3 H 57 3.960 4.152 -0.192 1
1 288 . 11 1 1 A 30 30 GLY C C 57 169.020 173.003 -3.983 1
1 289 . 11 1 1 A 30 30 GLY CA C 57 45.800 45.229 0.571 1
1 290 . 11 1 1 A 30 30 GLY N N 57 111.380 109.424 1.956 1
1 291 . 11 1 1 A 31 31 HIS H H 58 8.560 7.752 0.808 1
1 292 . 11 1 1 A 31 31 HIS HA H 58 4.710 5.374 -0.664 1
1 295 . 11 1 1 A 31 31 HIS C C 58 171.200 174.033 -2.833 1
1 296 . 11 1 1 A 31 31 HIS CA C 58 56.140 54.570 1.570 1
1 297 . 11 1 1 A 31 31 HIS CB C 58 34.650 33.910 0.740 1
1 298 . 11 1 1 A 31 31 HIS N N 58 120.870 117.303 3.567 1
1 299 . 11 1 1 A 32 32 CYS H H 59 8.710 8.644 0.066 1
1 300 . 11 1 1 A 32 32 CYS HA H 59 5.700 5.213 0.487 1
1 303 . 11 1 1 A 32 32 CYS C C 59 173.470 173.476 -0.006 1
1 304 . 11 1 1 A 32 32 CYS CA C 59 52.340 55.150 -2.810 1
1 305 . 11 1 1 A 32 32 CYS CB C 59 36.950 44.275 -7.325 1
1 306 . 11 1 1 A 32 32 CYS N N 59 117.290 119.614 -2.324 1
1 307 . 11 1 1 A 33 33 PHE H H 60 8.700 8.455 0.245 1
1 308 . 11 1 1 A 33 33 PHE HA H 60 6.110 5.810 0.300 1
1 316 . 11 1 1 A 33 33 PHE C C 60 172.200 172.892 -0.692 1
1 317 . 11 1 1 A 33 33 PHE CA C 60 56.630 55.327 1.303 1
1 318 . 11 1 1 A 33 33 PHE CB C 60 44.830 42.507 2.323 1
1 319 . 11 1 1 A 33 33 PHE N N 60 116.070 120.060 -3.990 1
1 320 . 11 1 1 A 34 34 ALA H H 61 9.200 8.385 0.815 1
1 321 . 11 1 1 A 34 34 ALA HA H 61 5.000 4.977 0.023 1
1 325 . 11 1 1 A 34 34 ALA C C 61 171.610 175.564 -3.954 1
1 326 . 11 1 1 A 34 34 ALA CA C 61 52.320 51.499 0.821 1
1 327 . 11 1 1 A 34 34 ALA CB C 61 23.950 22.906 1.044 1
1 328 . 11 1 1 A 34 34 ALA N N 61 125.170 121.103 4.067 1
1 329 . 11 1 1 A 35 35 ILE H H 62 9.470 8.830 0.640 1
1 330 . 11 1 1 A 35 35 ILE HA H 62 5.350 5.009 0.341 1
1 340 . 11 1 1 A 35 35 ILE C C 62 170.850 173.110 -2.260 1
1 341 . 11 1 1 A 35 35 ILE CA C 62 59.260 59.420 -0.160 1
1 342 . 11 1 1 A 35 35 ILE CB C 62 43.660 42.488 1.172 1
1 346 . 11 1 1 A 35 35 ILE N N 62 120.630 119.630 1.000 1
1 347 . 11 1 1 A 36 36 ILE H H 63 8.500 8.897 -0.397 1
1 348 . 11 1 1 A 36 36 ILE HA H 63 5.240 5.205 0.035 1
1 358 . 11 1 1 A 36 36 ILE C C 63 170.510 173.123 -2.613 1
1 359 . 11 1 1 A 36 36 ILE CA C 63 59.130 59.152 -0.022 1
1 360 . 11 1 1 A 36 36 ILE CB C 63 41.670 42.418 -0.748 1
1 364 . 11 1 1 A 36 36 ILE N N 63 125.830 126.328 -0.498 1
1 365 . 11 1 1 A 37 37 GLU H H 64 8.450 8.715 -0.265 1
1 366 . 11 1 1 A 37 37 GLU HA H 64 5.010 4.896 0.114 1
1 371 . 11 1 1 A 37 37 GLU C C 64 171.410 174.439 -3.029 1
1 372 . 11 1 1 A 37 37 GLU CA C 64 54.830 55.053 -0.223 1
1 373 . 11 1 1 A 37 37 GLU CB C 64 34.320 34.214 0.106 1
1 375 . 11 1 1 A 37 37 GLU N N 64 124.570 126.896 -2.326 1
1 376 . 11 1 1 A 38 38 GLU H H 65 8.300 8.536 -0.236 1
1 377 . 11 1 1 A 38 38 GLU HA H 65 5.040 4.957 0.083 1
1 382 . 11 1 1 A 38 38 GLU C C 65 172.920 175.934 -3.014 1
1 383 . 11 1 1 A 38 38 GLU CA C 65 54.760 55.111 -0.351 1
1 384 . 11 1 1 A 38 38 GLU CB C 65 33.470 31.656 1.814 1
1 386 . 11 1 1 A 38 38 GLU N N 65 123.960 123.839 0.121 1
1 387 . 11 1 1 A 39 39 ASP H H 66 8.470 8.327 0.143 1
1 388 . 11 1 1 A 39 39 ASP HA H 66 4.750 4.896 -0.146 1
1 391 . 11 1 1 A 39 39 ASP C C 66 174.940 177.747 -2.807 1
1 392 . 11 1 1 A 39 39 ASP CA C 66 52.890 52.501 0.389 1
1 393 . 11 1 1 A 39 39 ASP CB C 66 41.990 41.407 0.583 1
1 394 . 11 1 1 A 39 39 ASP N N 66 124.870 126.800 -1.930 1
1 395 . 11 1 1 A 40 40 ASP H H 67 8.380 8.909 -0.529 1
1 396 . 11 1 1 A 40 40 ASP HA H 67 4.310 4.467 -0.157 1
1 399 . 11 1 1 A 40 40 ASP C C 67 174.210 176.941 -2.731 1
1 400 . 11 1 1 A 40 40 ASP CA C 67 56.350 56.099 0.251 1
1 401 . 11 1 1 A 40 40 ASP CB C 67 40.510 40.001 0.509 1
1 402 . 11 1 1 A 40 40 ASP N N 67 116.220 118.546 -2.326 1
1 403 . 11 1 1 A 41 41 GLN H H 68 8.200 7.745 0.455 1
1 404 . 11 1 1 A 41 41 GLN HA H 68 4.380 4.373 0.007 1
1 411 . 11 1 1 A 41 41 GLN C C 68 173.740 176.430 -2.690 1
1 412 . 11 1 1 A 41 41 GLN CA C 68 55.590 55.615 -0.025 1
1 413 . 11 1 1 A 41 41 GLN CB C 68 29.780 29.460 0.320 1
1 415 . 11 1 1 A 41 41 GLN N N 68 117.190 117.494 -0.304 1
1 417 . 11 1 1 A 42 42 GLY H H 69 8.000 8.209 -0.209 1
1 418 . 11 1 1 A 42 42 GLY HA2 H 69 3.630 3.908 -0.278 1
1 419 . 11 1 1 A 42 42 GLY HA3 H 69 4.140 3.908 0.232 1
1 420 . 11 1 1 A 42 42 GLY C C 69 171.650 174.288 -2.638 1
1 421 . 11 1 1 A 42 42 GLY CA C 69 45.730 45.712 0.018 1
1 422 . 11 1 1 A 42 42 GLY N N 69 108.130 108.553 -0.423 1
1 423 . 11 1 1 A 43 43 GLU H H 70 8.410 8.270 0.140 1
1 424 . 11 1 1 A 43 43 GLU HA H 70 4.450 4.593 -0.143 1
1 429 . 11 1 1 A 43 43 GLU C C 70 173.970 176.347 -2.377 1
1 430 . 11 1 1 A 43 43 GLU CA C 70 56.020 55.270 0.750 1
1 431 . 11 1 1 A 43 43 GLU CB C 70 30.300 31.077 -0.777 1
1 433 . 11 1 1 A 43 43 GLU N N 70 122.300 119.770 2.530 1
1 434 . 11 1 1 A 44 44 THR H H 71 8.620 8.520 0.100 1
1 435 . 11 1 1 A 44 44 THR HA H 71 5.210 5.229 -0.019 1
1 440 . 11 1 1 A 44 44 THR C C 71 172.160 174.038 -1.878 1
1 441 . 11 1 1 A 44 44 THR CA C 71 61.600 60.851 0.749 1
1 442 . 11 1 1 A 44 44 THR CB C 71 71.000 70.115 0.885 1
1 444 . 11 1 1 A 44 44 THR N N 71 117.330 113.875 3.455 1
1 445 . 11 1 1 A 45 45 THR H H 72 8.760 8.715 0.045 1
1 446 . 11 1 1 A 45 45 THR HA H 72 4.500 5.088 -0.588 1
1 451 . 11 1 1 A 45 45 THR C C 72 169.600 173.723 -4.123 1
1 452 . 11 1 1 A 45 45 THR CA C 72 61.270 60.556 0.714 1
1 453 . 11 1 1 A 45 45 THR CB C 72 72.320 70.068 2.252 1
1 455 . 11 1 1 A 45 45 THR N N 72 117.840 117.640 0.200 1
1 456 . 11 1 1 A 46 46 LEU H H 73 8.400 9.187 -0.787 1
1 457 . 11 1 1 A 46 46 LEU HA H 73 5.250 5.103 0.147 1
1 464 . 11 1 1 A 46 46 LEU C C 73 173.150 175.575 -2.425 1
1 465 . 11 1 1 A 46 46 LEU CA C 73 54.300 53.910 0.390 1
1 466 . 11 1 1 A 46 46 LEU CB C 73 44.860 43.556 1.304 1
1 470 . 11 1 1 A 46 46 LEU N N 73 126.020 127.671 -1.651 1
1 471 . 11 1 1 A 47 47 ALA HA H 74 4.760 5.500 -0.740 1
1 475 . 11 1 1 A 47 47 ALA C C 74 172.740 175.476 -2.736 1
1 476 . 11 1 1 A 47 47 ALA CA C 74 51.440 50.992 0.448 1
1 477 . 11 1 1 A 47 47 ALA CB C 74 23.350 23.625 -0.275 1
1 478 . 11 1 1 A 48 48 SER H H 75 8.700 8.320 0.380 1
1 479 . 11 1 1 A 48 48 SER HA H 75 4.500 4.653 -0.153 1
1 482 . 11 1 1 A 48 48 SER C C 75 171.590 173.036 -1.446 1
1 483 . 11 1 1 A 48 48 SER CA C 75 57.740 56.397 1.343 1
1 484 . 11 1 1 A 48 48 SER CB C 75 65.700 65.998 -0.298 1
1 485 . 11 1 1 A 48 48 SER N N 75 111.400 114.261 -2.861 1
1 486 . 11 1 1 A 49 49 GLY H H 76 6.440 7.234 -0.794 1
1 487 . 11 1 1 A 49 49 GLY HA2 H 76 3.850 3.857 -0.007 1
1 488 . 11 1 1 A 49 49 GLY HA3 H 76 3.730 3.888 -0.158 1
1 489 . 11 1 1 A 49 49 GLY C C 76 167.890 171.202 -3.312 1
1 490 . 11 1 1 A 49 49 GLY CA C 76 47.420 45.803 1.617 1
1 491 . 11 1 1 A 49 49 GLY N N 76 105.480 105.715 -0.235 1
1 492 . 11 1 1 A 50 50 CYS H H 77 8.740 8.309 0.431 1
1 493 . 11 1 1 A 50 50 CYS HA H 77 4.950 5.340 -0.390 1
1 496 . 11 1 1 A 50 50 CYS C C 77 170.670 172.899 -2.229 1
1 497 . 11 1 1 A 50 50 CYS CA C 77 60.030 55.280 4.750 1
1 498 . 11 1 1 A 50 50 CYS CB C 77 46.100 43.346 2.754 1
1 499 . 11 1 1 A 50 50 CYS N N 77 118.960 119.866 -0.906 1
1 500 . 11 1 1 A 51 51 MET H H 78 9.240 9.040 0.200 1
1 501 . 11 1 1 A 51 51 MET HA H 78 4.760 5.034 -0.274 1
1 509 . 11 1 1 A 51 51 MET C C 78 171.990 176.001 -4.011 1
1 510 . 11 1 1 A 51 51 MET CA C 78 54.630 54.199 0.431 1
1 511 . 11 1 1 A 51 51 MET CB C 78 35.810 34.884 0.926 1
1 514 . 11 1 1 A 51 51 MET N N 78 122.340 125.950 -3.610 1
1 515 . 11 1 1 A 52 52 LYS H H 79 8.430 8.453 -0.023 1
1 516 . 11 1 1 A 52 52 LYS HA H 79 4.160 4.287 -0.127 1
1 525 . 11 1 1 A 52 52 LYS C C 79 173.040 175.883 -2.843 1
1 526 . 11 1 1 A 52 52 LYS CA C 79 57.120 56.321 0.799 1
1 527 . 11 1 1 A 52 52 LYS CB C 79 33.720 32.817 0.903 1
1 531 . 11 1 1 A 52 52 LYS N N 79 125.030 124.287 0.743 1
1 532 . 11 1 1 A 53 53 TYR H H 80 8.400 8.793 -0.393 1
1 533 . 11 1 1 A 53 53 TYR HA H 80 4.200 4.543 -0.343 1
1 536 . 11 1 1 A 53 53 TYR C C 80 173.370 175.296 -1.926 1
1 537 . 11 1 1 A 53 53 TYR CA C 80 59.910 59.333 0.577 1
1 538 . 11 1 1 A 53 53 TYR CB C 80 39.000 39.294 -0.294 1
1 539 . 11 1 1 A 53 53 TYR N N 80 121.420 121.362 0.058 1
1 540 . 11 1 1 A 54 54 GLU H H 81 8.490 8.544 -0.054 1
1 541 . 11 1 1 A 54 54 GLU HA H 81 4.170 4.563 -0.393 1
1 545 . 11 1 1 A 54 54 GLU C C 81 173.240 176.692 -3.452 1
1 546 . 11 1 1 A 54 54 GLU CA C 81 56.440 56.535 -0.095 1
1 547 . 11 1 1 A 54 54 GLU CB C 81 30.860 32.399 -1.539 1
1 549 . 11 1 1 A 54 54 GLU N N 81 123.790 124.612 -0.822 1
1 550 . 11 1 1 A 55 55 GLY H H 82 7.200 7.549 -0.349 1
1 551 . 11 1 1 A 55 55 GLY HA2 H 82 4.050 3.824 0.226 1
1 552 . 11 1 1 A 55 55 GLY HA3 H 82 3.690 3.953 -0.263 1
1 553 . 11 1 1 A 55 55 GLY C C 82 171.520 173.836 -2.316 1
1 554 . 11 1 1 A 55 55 GLY CA C 82 45.680 45.335 0.345 1
1 555 . 11 1 1 A 55 55 GLY N N 82 108.400 106.753 1.647 1
1 556 . 11 1 1 A 56 56 SER H H 83 8.140 7.852 0.288 1
1 557 . 11 1 1 A 56 56 SER HA H 83 4.280 5.171 -0.891 1
1 560 . 11 1 1 A 56 56 SER C C 83 171.900 173.940 -2.040 1
1 561 . 11 1 1 A 56 56 SER CA C 83 59.270 57.570 1.700 1
1 562 . 11 1 1 A 56 56 SER CB C 83 63.960 65.518 -1.558 1
1 563 . 11 1 1 A 56 56 SER N N 83 114.650 114.792 -0.142 1
1 564 . 11 1 1 A 57 57 ASP H H 84 8.340 9.054 -0.714 1
1 565 . 11 1 1 A 57 57 ASP HA H 84 4.430 4.695 -0.265 1
1 568 . 11 1 1 A 57 57 ASP C C 84 173.100 176.806 -3.706 1
1 569 . 11 1 1 A 57 57 ASP CA C 84 54.950 56.154 -1.204 1
1 570 . 11 1 1 A 57 57 ASP CB C 84 40.840 40.941 -0.101 1
1 571 . 11 1 1 A 57 57 ASP N N 84 121.230 125.405 -4.175 1
1 572 . 11 1 1 A 58 58 PHE H H 85 7.730 7.723 0.007 1
1 573 . 11 1 1 A 58 58 PHE HA H 85 4.260 4.767 -0.507 1
1 581 . 11 1 1 A 58 58 PHE C C 85 172.590 174.847 -2.257 1
1 582 . 11 1 1 A 58 58 PHE CA C 85 58.520 56.905 1.615 1
1 583 . 11 1 1 A 58 58 PHE CB C 85 39.840 39.999 -0.159 1
1 584 . 11 1 1 A 58 58 PHE N N 85 118.920 118.854 0.066 1
1 585 . 11 1 1 A 59 59 GLN H H 86 7.790 7.650 0.140 1
1 586 . 11 1 1 A 59 59 GLN HA H 86 4.070 4.441 -0.371 1
1 593 . 11 1 1 A 59 59 GLN C C 86 172.550 175.232 -2.682 1
1 594 . 11 1 1 A 59 59 GLN CA C 86 56.000 54.814 1.186 1
1 595 . 11 1 1 A 59 59 GLN CB C 86 30.600 26.579 4.021 1
1 597 . 11 1 1 A 59 59 GLN N N 86 120.280 119.917 0.363 1
1 599 . 11 1 1 A 60 60 CYS H H 87 8.100 8.097 0.003 1
1 600 . 11 1 1 A 60 60 CYS HA H 87 4.140 4.822 -0.682 1
1 603 . 11 1 1 A 60 60 CYS C C 87 170.910 173.275 -2.365 1
1 604 . 11 1 1 A 60 60 CYS CA C 87 56.810 55.298 1.512 1
1 605 . 11 1 1 A 60 60 CYS CB C 87 40.780 42.934 -2.154 1
1 606 . 11 1 1 A 60 60 CYS N N 87 118.790 123.798 -5.008 1
1 607 . 11 1 1 A 61 61 LYS H H 88 7.610 7.575 0.035 1
1 608 . 11 1 1 A 61 61 LYS HA H 88 4.280 4.433 -0.153 1
1 617 . 11 1 1 A 61 61 LYS C C 88 172.330 175.400 -3.070 1
1 618 . 11 1 1 A 61 61 LYS CA C 88 56.210 55.524 0.686 1
1 619 . 11 1 1 A 61 61 LYS CB C 88 34.210 33.600 0.610 1
1 623 . 11 1 1 A 61 61 LYS N N 88 120.330 119.783 0.547 1
1 624 . 11 1 1 A 62 62 ASP H H 89 8.180 8.758 -0.578 1
1 625 . 11 1 1 A 62 62 ASP HA H 89 4.500 5.307 -0.807 1
1 628 . 11 1 1 A 62 62 ASP C C 89 172.970 174.585 -1.615 1
1 629 . 11 1 1 A 62 62 ASP CA C 89 54.200 52.147 2.053 1
1 630 . 11 1 1 A 62 62 ASP CB C 89 42.090 43.907 -1.817 1
1 631 . 11 1 1 A 62 62 ASP N N 89 121.190 118.753 2.437 1
1 632 . 11 1 1 A 63 63 SER H H 90 8.190 8.747 -0.557 1
1 633 . 11 1 1 A 63 63 SER HA H 90 4.640 4.684 -0.044 1
1 636 . 11 1 1 A 63 63 SER C C 90 170.240 174.424 -4.184 1
1 637 . 11 1 1 A 63 63 SER CA C 90 56.600 57.277 -0.677 1
1 638 . 11 1 1 A 63 63 SER CB C 90 63.770 63.228 0.542 1
1 639 . 11 1 1 A 63 63 SER N N 90 116.710 118.782 -2.072 1
1 640 . 11 1 1 A 64 64 PRO HA H 91 4.350 4.593 -0.243 1
1 647 . 11 1 1 A 64 64 PRO CA C 91 63.800 62.810 0.990 1
1 648 . 11 1 1 A 64 64 PRO CB C 91 32.410 29.731 2.679 1
1 651 . 11 1 1 A 65 65 LYS H H 92 8.240 7.825 0.415 1
1 652 . 11 1 1 A 65 65 LYS HA H 92 4.210 4.524 -0.314 1
1 661 . 11 1 1 A 65 65 LYS C C 92 173.330 174.765 -1.435 1
1 662 . 11 1 1 A 65 65 LYS CA C 92 56.410 55.204 1.206 1
1 663 . 11 1 1 A 65 65 LYS CB C 92 33.230 33.209 0.021 1
1 667 . 11 1 1 A 65 65 LYS N N 92 120.180 121.909 -1.729 1
1 668 . 11 1 1 A 66 66 ALA H H 93 8.040 7.532 0.508 1
1 669 . 11 1 1 A 66 66 ALA HA H 93 4.210 4.267 -0.057 1
1 673 . 11 1 1 A 66 66 ALA C C 93 174.580 177.482 -2.902 1
1 674 . 11 1 1 A 66 66 ALA CA C 93 53.020 52.319 0.701 1
1 675 . 11 1 1 A 66 66 ALA CB C 93 19.760 19.756 0.004 1
1 676 . 11 1 1 A 66 66 ALA N N 93 124.050 124.134 -0.084 1
1 677 . 11 1 1 A 67 67 GLN H H 94 8.320 8.459 -0.139 1
1 678 . 11 1 1 A 67 67 GLN HA H 94 4.190 4.493 -0.303 1
1 685 . 11 1 1 A 67 67 GLN C C 94 172.780 175.129 -2.349 1
1 686 . 11 1 1 A 67 67 GLN CA C 94 56.750 54.281 2.469 1
1 687 . 11 1 1 A 67 67 GLN CB C 94 29.100 31.046 -1.946 1
1 689 . 11 1 1 A 67 67 GLN N N 94 117.930 118.215 -0.285 1
1 691 . 11 1 1 A 68 68 LEU H H 95 7.730 8.158 -0.428 1
1 692 . 11 1 1 A 68 68 LEU HA H 95 4.360 4.386 -0.026 1
1 702 . 11 1 1 A 68 68 LEU C C 95 174.270 177.088 -2.818 1
1 703 . 11 1 1 A 68 68 LEU CA C 95 54.970 55.001 -0.031 1
1 704 . 11 1 1 A 68 68 LEU CB C 95 43.120 43.325 -0.205 1
1 708 . 11 1 1 A 68 68 LEU N N 95 120.470 122.549 -2.079 1
1 709 . 11 1 1 A 69 69 ARG H H 96 8.600 8.659 -0.059 1
1 710 . 11 1 1 A 69 69 ARG HA H 96 4.230 4.432 -0.202 1
1 718 . 11 1 1 A 69 69 ARG C C 96 171.700 176.240 -4.540 1
1 719 . 11 1 1 A 69 69 ARG CA C 96 56.570 56.362 0.208 1
1 720 . 11 1 1 A 69 69 ARG CB C 96 30.660 30.641 0.019 1
1 723 . 11 1 1 A 69 69 ARG N N 96 121.670 123.324 -1.654 1
1 725 . 11 1 1 A 70 70 ARG H H 97 7.800 8.651 -0.851 1
1 726 . 11 1 1 A 70 70 ARG HA H 97 5.170 5.195 -0.025 1
1 734 . 11 1 1 A 70 70 ARG C C 97 172.120 173.330 -1.210 1
1 735 . 11 1 1 A 70 70 ARG CA C 97 55.260 54.651 0.609 1
1 736 . 11 1 1 A 70 70 ARG CB C 97 34.040 34.138 -0.098 1
1 739 . 11 1 1 A 70 70 ARG N N 97 120.130 121.268 -1.138 1
1 741 . 11 1 1 A 71 71 THR H H 98 8.610 8.226 0.384 1
1 742 . 11 1 1 A 71 71 THR HA H 98 4.600 5.148 -0.548 1
1 747 . 11 1 1 A 71 71 THR C C 98 169.250 173.315 -4.065 1
1 748 . 11 1 1 A 71 71 THR CA C 98 62.030 61.416 0.614 1
1 749 . 11 1 1 A 71 71 THR CB C 98 71.970 72.028 -0.058 1
1 751 . 11 1 1 A 71 71 THR N N 98 118.550 114.208 4.342 1
1 752 . 11 1 1 A 72 72 ILE H H 99 8.520 8.666 -0.146 1
1 753 . 11 1 1 A 72 72 ILE HA H 99 5.080 4.852 0.228 1
1 763 . 11 1 1 A 72 72 ILE C C 99 170.930 173.882 -2.952 1
1 764 . 11 1 1 A 72 72 ILE CA C 99 59.370 59.846 -0.476 1
1 765 . 11 1 1 A 72 72 ILE CB C 99 42.140 41.656 0.484 1
1 769 . 11 1 1 A 72 72 ILE N N 99 125.230 123.597 1.633 1
1 770 . 11 1 1 A 73 73 GLU H H 100 8.860 8.676 0.184 1
1 771 . 11 1 1 A 73 73 GLU HA H 100 4.670 5.047 -0.377 1
1 776 . 11 1 1 A 73 73 GLU C C 100 172.200 175.735 -3.535 1
1 777 . 11 1 1 A 73 73 GLU CA C 100 55.840 54.952 0.888 1
1 778 . 11 1 1 A 73 73 GLU CB C 100 34.410 32.081 2.329 1
1 780 . 11 1 1 A 73 73 GLU N N 100 125.680 127.553 -1.873 1
1 781 . 11 1 1 A 74 74 CYS H H 101 8.830 8.975 -0.145 1
1 782 . 11 1 1 A 74 74 CYS HA H 101 5.790 5.555 0.235 1
1 785 . 11 1 1 A 74 74 CYS C C 101 170.360 172.583 -2.223 1
1 786 . 11 1 1 A 74 74 CYS CA C 101 55.010 54.798 0.212 1
1 787 . 11 1 1 A 74 74 CYS CB C 101 45.320 45.781 -0.461 1
1 788 . 11 1 1 A 74 74 CYS N N 101 119.260 117.081 2.179 1
1 789 . 11 1 1 A 75 75 CYS H H 102 9.130 8.655 0.475 1
1 790 . 11 1 1 A 75 75 CYS HA H 102 5.000 5.314 -0.314 1
1 793 . 11 1 1 A 75 75 CYS C C 102 170.670 171.884 -1.214 1
1 794 . 11 1 1 A 75 75 CYS CA C 102 56.180 55.572 0.608 1
1 795 . 11 1 1 A 75 75 CYS CB C 102 46.090 46.331 -0.241 1
1 796 . 11 1 1 A 75 75 CYS N N 102 116.460 119.434 -2.974 1
1 797 . 11 1 1 A 76 76 ARG H H 103 9.240 9.062 0.178 1
1 798 . 11 1 1 A 76 76 ARG HA H 103 4.800 4.543 0.257 1
1 806 . 11 1 1 A 76 76 ARG C C 103 172.120 174.681 -2.561 1
1 807 . 11 1 1 A 76 76 ARG CA C 103 56.230 55.110 1.120 1
1 808 . 11 1 1 A 76 76 ARG CB C 103 32.610 29.572 3.038 1
1 811 . 11 1 1 A 76 76 ARG N N 103 122.520 125.340 -2.820 1
1 813 . 11 1 1 A 77 77 THR H H 104 7.440 7.740 -0.300 1
1 814 . 11 1 1 A 77 77 THR HA H 104 4.600 5.174 -0.574 1
1 819 . 11 1 1 A 77 77 THR C C 104 171.890 173.642 -1.752 1
1 820 . 11 1 1 A 77 77 THR CA C 104 61.270 59.542 1.728 1
1 821 . 11 1 1 A 77 77 THR CB C 104 72.490 71.957 0.533 1
1 823 . 11 1 1 A 77 77 THR N N 104 109.730 112.144 -2.414 1
1 824 . 11 1 1 A 78 78 ASN H H 105 8.590 8.700 -0.110 1
1 825 . 11 1 1 A 78 78 ASN HA H 105 4.790 4.662 0.128 1
1 830 . 11 1 1 A 78 78 ASN C C 105 174.150 175.295 -1.145 1
1 831 . 11 1 1 A 78 78 ASN CA C 105 55.870 54.080 1.790 1
1 832 . 11 1 1 A 78 78 ASN CB C 105 39.260 38.245 1.015 1
1 833 . 11 1 1 A 78 78 ASN N N 105 119.360 119.447 -0.087 1
1 835 . 11 1 1 A 79 79 LEU H H 106 9.980 8.794 1.186 1
1 836 . 11 1 1 A 79 79 LEU HA H 106 3.680 3.912 -0.232 1
1 846 . 11 1 1 A 79 79 LEU C C 106 175.050 177.530 -2.480 1
1 847 . 11 1 1 A 79 79 LEU CA C 106 56.790 56.090 0.700 1
1 848 . 11 1 1 A 79 79 LEU CB C 106 38.920 39.352 -0.432 1
1 852 . 11 1 1 A 79 79 LEU N N 106 118.230 117.738 0.492 1
1 853 . 11 1 1 A 80 80 CYS H H 107 8.250 8.036 0.214 1
1 854 . 11 1 1 A 80 80 CYS HA H 107 4.320 4.433 -0.113 1
1 857 . 11 1 1 A 80 80 CYS C C 107 172.470 174.870 -2.400 1
1 858 . 11 1 1 A 80 80 CYS CA C 107 58.370 58.609 -0.239 1
1 859 . 11 1 1 A 80 80 CYS CB C 107 46.090 42.123 3.967 1
1 860 . 11 1 1 A 80 80 CYS N N 107 115.460 116.213 -0.753 1
1 861 . 11 1 1 A 81 81 ASN H H 108 8.590 7.954 0.636 1
1 862 . 11 1 1 A 81 81 ASN HA H 108 4.430 4.686 -0.256 1
1 867 . 11 1 1 A 81 81 ASN C C 108 172.210 177.418 -5.208 1
1 868 . 11 1 1 A 81 81 ASN CA C 108 53.320 54.738 -1.418 1
1 869 . 11 1 1 A 81 81 ASN CB C 108 37.290 38.826 -1.536 1
1 870 . 11 1 1 A 81 81 ASN N N 108 118.040 118.863 -0.823 1
1 872 . 11 1 1 A 82 82 GLN H H 109 7.490 8.084 -0.594 1
1 873 . 11 1 1 A 82 82 GLN HA H 109 3.380 3.617 -0.237 1
1 880 . 11 1 1 A 82 82 GLN C C 109 172.300 176.849 -4.549 1
1 881 . 11 1 1 A 82 82 GLN CA C 109 58.940 58.261 0.679 1
1 882 . 11 1 1 A 82 82 GLN CB C 109 28.770 27.724 1.046 1
1 884 . 11 1 1 A 82 82 GLN N N 109 121.350 119.946 1.404 1
1 886 . 11 1 1 A 83 83 TYR H H 110 7.830 7.691 0.139 1
1 887 . 11 1 1 A 83 83 TYR HA H 110 4.590 4.663 -0.073 1
1 892 . 11 1 1 A 83 83 TYR CA C 110 56.490 57.229 -0.739 1
1 893 . 11 1 1 A 83 83 TYR CB C 110 38.400 38.093 0.307 1
1 894 . 11 1 1 A 83 83 TYR N N 110 114.600 116.459 -1.859 1
1 895 . 11 1 1 A 84 84 LEU H H 111 6.610 7.302 -0.692 1
1 896 . 11 1 1 A 84 84 LEU HA H 111 4.170 5.019 -0.849 1
1 905 . 11 1 1 A 84 84 LEU C C 111 172.880 174.845 -1.965 1
1 906 . 11 1 1 A 84 84 LEU CA C 111 55.250 53.543 1.707 1
1 907 . 11 1 1 A 84 84 LEU CB C 111 43.400 45.152 -1.752 1
1 911 . 11 1 1 A 84 84 LEU N N 111 120.140 121.913 -1.773 1
1 912 . 11 1 1 A 85 85 GLN H H 112 8.780 8.892 -0.112 1
1 913 . 11 1 1 A 85 85 GLN HA H 112 4.570 4.826 -0.256 1
1 920 . 11 1 1 A 85 85 GLN C C 112 169.480 174.490 -5.010 1
1 921 . 11 1 1 A 85 85 GLN CA C 112 53.110 52.771 0.339 1
1 922 . 11 1 1 A 85 85 GLN CB C 112 30.000 30.292 -0.292 1
1 924 . 11 1 1 A 85 85 GLN N N 112 122.790 127.946 -5.156 1
1 926 . 11 1 1 A 86 86 PRO HA H 113 4.400 4.855 -0.455 1
1 931 . 11 1 1 A 86 86 PRO CA C 113 63.040 62.629 0.411 1
1 932 . 11 1 1 A 86 86 PRO CB C 113 32.400 32.499 -0.099 1
1 935 . 11 1 1 A 87 87 THR H H 114 8.180 8.558 -0.378 1
1 936 . 11 1 1 A 87 87 THR HA H 114 4.400 5.022 -0.622 1
1 941 . 11 1 1 A 87 87 THR C C 114 172.180 173.236 -1.056 1
1 942 . 11 1 1 A 87 87 THR CA C 114 60.960 59.748 1.212 1
1 943 . 11 1 1 A 87 87 THR CB C 114 71.290 72.131 -0.841 1
1 945 . 11 1 1 A 87 87 THR N N 114 111.930 112.758 -0.828 1
1 946 . 11 1 1 A 88 88 LEU H H 115 8.580 8.602 -0.022 1
1 947 . 11 1 1 A 88 88 LEU HA H 115 4.300 4.851 -0.551 1
1 956 . 11 1 1 A 88 88 LEU C C 115 171.740 174.701 -2.961 1
1 957 . 11 1 1 A 88 88 LEU CA C 115 53.230 53.693 -0.463 1
1 958 . 11 1 1 A 88 88 LEU CB C 115 41.900 41.058 0.842 1
1 962 . 11 1 1 A 88 88 LEU N N 115 125.290 124.577 0.713 1
1 963 . 11 1 1 A 89 89 PRO HA H 116 4.630 4.653 -0.023 1
1 970 . 11 1 1 A 89 89 PRO CA C 116 61.580 61.526 0.054 1
1 971 . 11 1 1 A 89 89 PRO CB C 116 30.980 31.547 -0.567 1
1 974 . 11 1 1 A 90 90 PRO HA H 117 4.350 4.495 -0.145 1
1 977 . 11 1 1 A 90 90 PRO CA C 117 63.010 62.728 0.282 1
1 978 . 11 1 1 A 90 90 PRO CB C 117 32.300 32.347 -0.047 1
1 981 . 11 1 1 A 91 91 VAL H H 118 8.190 8.421 -0.231 1
1 982 . 11 1 1 A 91 91 VAL HA H 118 3.900 4.378 -0.478 1
1 990 . 11 1 1 A 91 91 VAL C C 118 173.270 176.336 -3.066 1
1 991 . 11 1 1 A 91 91 VAL CA C 118 62.890 62.591 0.299 1
1 992 . 11 1 1 A 91 91 VAL CB C 118 32.980 32.092 0.888 1
1 994 . 11 1 1 A 91 91 VAL N N 118 120.460 122.675 -2.215 1
1 995 . 11 1 1 A 92 92 VAL H H 119 8.180 8.489 -0.309 1
1 996 . 11 1 1 A 92 92 VAL HA H 119 4.040 4.243 -0.203 1
1 1004 . 11 1 1 A 92 92 VAL C C 119 172.960 175.387 -2.427 1
1 1005 . 11 1 1 A 92 92 VAL CA C 119 62.250 62.396 -0.146 1
1 1006 . 11 1 1 A 92 92 VAL CB C 119 33.280 32.281 0.999 1
1 1008 . 11 1 1 A 92 92 VAL N N 119 125.030 124.298 0.732 1
1 1009 . 11 1 1 A 93 93 ILE H H 120 8.220 8.727 -0.507 1
1 1010 . 11 1 1 A 93 93 ILE HA H 120 4.110 4.491 -0.381 1
1 1015 . 11 1 1 A 93 93 ILE C C 120 173.440 176.722 -3.282 1
1 1016 . 11 1 1 A 93 93 ILE CA C 120 61.050 61.163 -0.113 1
1 1017 . 11 1 1 A 93 93 ILE CB C 120 39.030 37.486 1.544 1
1 1021 . 11 1 1 A 93 93 ILE N N 120 125.690 128.742 -3.052 1
1 1022 . 11 1 1 A 94 94 GLY H H 121 8.190 8.849 -0.659 1
1 1023 . 11 1 1 A 94 94 GLY HA2 H 121 4.050 4.071 -0.021 1
1 1024 . 11 1 1 A 94 94 GLY HA3 H 121 3.940 4.074 -0.134 1
1 1025 . 11 1 1 A 94 94 GLY C C 121 169.080 174.596 -5.516 1
1 1026 . 11 1 1 A 94 94 GLY CA C 121 44.850 46.232 -1.382 1
1 1027 . 11 1 1 A 94 94 GLY N N 121 113.150 116.477 -3.327 1
1 1028 . 11 1 1 A 95 95 PRO HA H 122 4.270 4.690 -0.420 1
1 1032 . 11 1 1 A 95 95 PRO CA C 122 63.340 62.743 0.597 1
1 1033 . 11 1 1 A 95 95 PRO CB C 122 32.160 33.665 -1.505 1
1 1036 . 11 1 1 A 96 96 PHE H H 123 8.140 8.544 -0.404 1
1 1037 . 11 1 1 A 96 96 PHE HA H 123 4.510 4.715 -0.205 1
1 1040 . 11 1 1 A 96 96 PHE C C 123 172.700 174.498 -1.798 1
1 1041 . 11 1 1 A 96 96 PHE CA C 123 58.040 57.715 0.325 1
1 1042 . 11 1 1 A 96 96 PHE CB C 123 39.710 40.970 -1.260 1
1 1043 . 11 1 1 A 96 96 PHE N N 123 119.410 121.626 -2.216 1
1 1044 . 11 1 1 A 97 97 PHE H H 124 8.000 8.650 -0.650 1
1 1045 . 11 1 1 A 97 97 PHE HA H 124 4.490 4.557 -0.067 1
1 1048 . 11 1 1 A 97 97 PHE C C 124 172.140 175.804 -3.664 1
1 1049 . 11 1 1 A 97 97 PHE CA C 124 58.000 58.494 -0.494 1
1 1050 . 11 1 1 A 97 97 PHE CB C 124 40.140 39.694 0.446 1
1 1051 . 11 1 1 A 97 97 PHE N N 124 122.180 125.907 -3.727 1
1 1052 . 11 1 1 A 98 98 ASP H H 125 8.100 9.280 -1.180 1
1 1053 . 11 1 1 A 98 98 ASP HA H 125 4.400 4.552 -0.152 1
1 1056 . 11 1 1 A 98 98 ASP C C 125 173.870 177.010 -3.140 1
1 1057 . 11 1 1 A 98 98 ASP CA C 125 54.470 54.948 -0.478 1
1 1058 . 11 1 1 A 98 98 ASP CB C 125 41.390 41.573 -0.183 1
1 1059 . 11 1 1 A 98 98 ASP N N 125 123.000 121.217 1.783 1
1 1060 . 11 1 1 A 99 99 GLY H H 126 8.010 7.892 0.118 1
1 1061 . 11 1 1 A 99 99 GLY HA3 H 126 3.860 4.028 -0.168 1
1 1062 . 11 1 1 A 99 99 GLY C C 126 171.640 173.134 -1.494 1
1 1063 . 11 1 1 A 99 99 GLY CA C 126 45.860 44.692 1.168 1
1 1064 . 11 1 1 A 99 99 GLY N N 126 109.280 106.118 3.162 1
1 1065 . 11 1 1 A 100 100 SER H H 127 8.110 8.414 -0.304 1
1 1066 . 11 1 1 A 100 100 SER HA H 127 4.320 4.751 -0.431 1
1 1069 . 11 1 1 A 100 100 SER C C 127 171.520 173.600 -2.080 1
1 1070 . 11 1 1 A 100 100 SER CA C 127 59.190 58.839 0.351 1
1 1071 . 11 1 1 A 100 100 SER CB C 127 64.240 64.075 0.165 1
1 1072 . 11 1 1 A 100 100 SER N N 127 115.760 115.886 -0.126 1
1 1073 . 11 1 1 A 101 101 ILE H H 128 7.960 8.490 -0.530 1
1 1074 . 11 1 1 A 101 101 ILE HA H 128 4.110 4.355 -0.245 1
1 1084 . 11 1 1 A 101 101 ILE C C 128 172.590 175.109 -2.519 1
1 1085 . 11 1 1 A 101 101 ILE CA C 128 61.800 60.467 1.333 1
1 1086 . 11 1 1 A 101 101 ILE CB C 128 38.820 38.828 -0.008 1
1 1090 . 11 1 1 A 101 101 ILE N N 128 122.050 123.594 -1.544 1
1 1 . 12 1 1 A 2 2 PRO HA H 29 4.310 4.530 -0.220 1
1 8 . 12 1 1 A 2 2 PRO CA C 29 64.380 63.198 1.182 1
1 9 . 12 1 1 A 2 2 PRO CB C 29 32.300 31.621 0.679 1
1 12 . 12 1 1 A 3 3 GLU H H 30 9.010 8.765 0.245 1
1 13 . 12 1 1 A 3 3 GLU HA H 30 4.170 4.512 -0.342 1
1 18 . 12 1 1 A 3 3 GLU C C 30 173.730 175.694 -1.964 1
1 19 . 12 1 1 A 3 3 GLU CA C 30 57.560 55.997 1.563 1
1 20 . 12 1 1 A 3 3 GLU CB C 30 29.400 29.160 0.240 1
1 22 . 12 1 1 A 3 3 GLU N N 30 118.790 122.264 -3.474 1
1 23 . 12 1 1 A 4 4 ASP H H 31 7.940 7.665 0.275 1
1 24 . 12 1 1 A 4 4 ASP HA H 31 4.560 4.786 -0.226 1
1 27 . 12 1 1 A 4 4 ASP C C 31 173.600 174.417 -0.817 1
1 28 . 12 1 1 A 4 4 ASP CA C 31 54.940 53.633 1.307 1
1 29 . 12 1 1 A 4 4 ASP CB C 31 41.650 39.010 2.640 1
1 30 . 12 1 1 A 4 4 ASP N N 31 119.920 121.911 -1.991 1
1 31 . 12 1 1 A 5 5 THR H H 32 7.810 8.336 -0.526 1
1 32 . 12 1 1 A 5 5 THR HA H 32 4.160 5.061 -0.901 1
1 37 . 12 1 1 A 5 5 THR C C 32 171.630 173.655 -2.025 1
1 38 . 12 1 1 A 5 5 THR CA C 32 62.410 61.850 0.560 1
1 39 . 12 1 1 A 5 5 THR CB C 32 70.040 71.214 -1.174 1
1 41 . 12 1 1 A 5 5 THR N N 32 113.570 120.215 -6.645 1
1 42 . 12 1 1 A 6 6 LEU H H 33 8.100 8.853 -0.753 1
1 43 . 12 1 1 A 6 6 LEU HA H 33 4.490 4.945 -0.455 1
1 53 . 12 1 1 A 6 6 LEU C C 33 172.440 174.977 -2.537 1
1 54 . 12 1 1 A 6 6 LEU CA C 33 53.430 51.375 2.055 1
1 55 . 12 1 1 A 6 6 LEU CB C 33 41.900 45.582 -3.682 1
1 59 . 12 1 1 A 6 6 LEU N N 33 125.790 126.893 -1.103 1
1 60 . 12 1 1 A 7 7 PRO HA H 34 4.130 4.748 -0.618 1
1 67 . 12 1 1 A 7 7 PRO CA C 34 63.660 62.961 0.699 1
1 68 . 12 1 1 A 7 7 PRO CB C 34 31.970 32.561 -0.591 1
1 71 . 12 1 1 A 8 8 PHE H H 35 7.610 8.540 -0.930 1
1 72 . 12 1 1 A 8 8 PHE HA H 35 4.580 4.848 -0.268 1
1 77 . 12 1 1 A 8 8 PHE C C 35 171.110 174.641 -3.531 1
1 78 . 12 1 1 A 8 8 PHE CA C 35 57.690 56.102 1.588 1
1 79 . 12 1 1 A 8 8 PHE CB C 35 40.850 38.744 2.106 1
1 80 . 12 1 1 A 8 8 PHE N N 35 117.670 116.423 1.247 1
1 81 . 12 1 1 A 9 9 LEU H H 36 8.310 7.371 0.939 1
1 82 . 12 1 1 A 9 9 LEU HA H 36 4.420 4.668 -0.248 1
1 92 . 12 1 1 A 9 9 LEU C C 36 171.050 173.936 -2.886 1
1 93 . 12 1 1 A 9 9 LEU CA C 36 54.770 54.396 0.374 1
1 94 . 12 1 1 A 9 9 LEU CB C 36 44.230 45.206 -0.976 1
1 98 . 12 1 1 A 9 9 LEU N N 36 125.150 121.364 3.786 1
1 99 . 12 1 1 A 10 10 LYS H H 37 8.130 9.307 -1.177 1
1 100 . 12 1 1 A 10 10 LYS HA H 37 5.110 5.162 -0.052 1
1 109 . 12 1 1 A 10 10 LYS C C 37 172.470 174.921 -2.451 1
1 110 . 12 1 1 A 10 10 LYS CA C 37 54.730 55.006 -0.276 1
1 111 . 12 1 1 A 10 10 LYS CB C 37 35.010 34.226 0.784 1
1 115 . 12 1 1 A 10 10 LYS N N 37 123.550 128.040 -4.490 1
1 116 . 12 1 1 A 11 11 CYS H H 38 9.240 8.807 0.433 1
1 117 . 12 1 1 A 11 11 CYS HA H 38 4.890 5.459 -0.569 1
1 120 . 12 1 1 A 11 11 CYS C C 38 171.750 171.955 -0.205 1
1 121 . 12 1 1 A 11 11 CYS CA C 38 51.950 54.794 -2.844 1
1 122 . 12 1 1 A 11 11 CYS CB C 38 41.360 45.293 -3.933 1
1 123 . 12 1 1 A 11 11 CYS N N 38 121.580 123.904 -2.324 1
1 124 . 12 1 1 A 12 12 TYR H H 39 8.830 8.942 -0.112 1
1 125 . 12 1 1 A 12 12 TYR HA H 39 4.780 4.718 0.062 1
1 132 . 12 1 1 A 12 12 TYR C C 39 172.260 174.771 -2.511 1
1 133 . 12 1 1 A 12 12 TYR CA C 39 58.500 58.970 -0.470 1
1 134 . 12 1 1 A 12 12 TYR CB C 39 40.900 39.373 1.527 1
1 135 . 12 1 1 A 12 12 TYR N N 39 122.390 125.564 -3.174 1
1 136 . 12 1 1 A 13 13 CYS H H 40 7.690 7.962 -0.272 1
1 137 . 12 1 1 A 13 13 CYS HA H 40 4.420 5.756 -1.336 1
1 140 . 12 1 1 A 13 13 CYS CA C 40 53.850 54.042 -0.192 1
1 141 . 12 1 1 A 13 13 CYS CB C 40 48.920 45.232 3.688 1
1 142 . 12 1 1 A 14 14 SER H H 41 7.850 8.649 -0.799 1
1 143 . 12 1 1 A 14 14 SER HA H 41 4.160 5.064 -0.904 1
1 146 . 12 1 1 A 14 14 SER CA C 41 58.450 55.912 2.538 1
1 147 . 12 1 1 A 14 14 SER CB C 41 63.840 66.191 -2.351 1
1 148 . 12 1 1 A 14 14 SER N N 41 117.020 115.409 1.611 1
1 149 . 12 1 1 A 16 16 HIS HA H 43 4.880 4.764 0.116 1
1 152 . 12 1 1 A 16 16 HIS CA C 43 54.770 55.310 -0.540 1
1 153 . 12 1 1 A 16 16 HIS CB C 43 29.490 31.260 -1.770 1
1 154 . 12 1 1 A 17 17 CYS H H 44 8.560 8.581 -0.021 1
1 155 . 12 1 1 A 18 18 PRO HA H 45 4.660 4.590 0.070 1
1 160 . 12 1 1 A 18 18 PRO CA C 45 62.500 62.805 -0.305 1
1 161 . 12 1 1 A 18 18 PRO CB C 45 33.140 32.807 0.333 1
1 164 . 12 1 1 A 19 19 ASP H H 46 8.800 8.651 0.149 1
1 165 . 12 1 1 A 19 19 ASP HA H 46 4.250 4.307 -0.057 1
1 168 . 12 1 1 A 19 19 ASP C C 46 173.430 176.524 -3.094 1
1 169 . 12 1 1 A 19 19 ASP CA C 46 57.190 56.947 0.243 1
1 170 . 12 1 1 A 19 19 ASP CB C 46 40.720 40.609 0.111 1
1 171 . 12 1 1 A 19 19 ASP N N 46 120.170 121.900 -1.730 1
1 172 . 12 1 1 A 20 20 ASP H H 47 8.050 8.261 -0.211 1
1 173 . 12 1 1 A 20 20 ASP HA H 47 4.510 4.642 -0.132 1
1 176 . 12 1 1 A 20 20 ASP C C 47 173.500 176.014 -2.514 1
1 177 . 12 1 1 A 20 20 ASP CA C 47 52.840 53.077 -0.237 1
1 178 . 12 1 1 A 20 20 ASP CB C 47 39.980 39.735 0.245 1
1 179 . 12 1 1 A 20 20 ASP N N 47 114.670 114.889 -0.219 1
1 180 . 12 1 1 A 21 21 ALA H H 48 7.350 7.273 0.077 1
1 181 . 12 1 1 A 21 21 ALA HA H 48 4.280 4.274 0.006 1
1 185 . 12 1 1 A 21 21 ALA C C 48 174.490 176.787 -2.297 1
1 186 . 12 1 1 A 21 21 ALA CA C 48 53.430 52.230 1.200 1
1 187 . 12 1 1 A 21 21 ALA CB C 48 20.870 20.034 0.836 1
1 188 . 12 1 1 A 21 21 ALA N N 48 122.660 122.464 0.196 1
1 189 . 12 1 1 A 22 22 ILE H H 49 7.960 8.147 -0.187 1
1 190 . 12 1 1 A 22 22 ILE HA H 49 4.240 4.587 -0.347 1
1 199 . 12 1 1 A 22 22 ILE C C 49 173.300 176.283 -2.983 1
1 200 . 12 1 1 A 22 22 ILE CA C 49 60.230 59.726 0.504 1
1 201 . 12 1 1 A 22 22 ILE CB C 49 40.280 40.209 0.071 1
1 205 . 12 1 1 A 22 22 ILE N N 49 119.550 119.795 -0.245 1
1 206 . 12 1 1 A 23 23 ASN H H 50 9.280 9.095 0.185 1
1 207 . 12 1 1 A 23 23 ASN HA H 50 4.290 4.443 -0.153 1
1 212 . 12 1 1 A 23 23 ASN CA C 50 54.660 53.869 0.791 1
1 213 . 12 1 1 A 23 23 ASN CB C 50 37.620 36.172 1.448 1
1 214 . 12 1 1 A 23 23 ASN N N 50 125.470 125.347 0.123 1
1 216 . 12 1 1 A 24 24 ASN H H 51 8.850 8.480 0.370 1
1 217 . 12 1 1 A 24 24 ASN HA H 51 4.070 4.070 0.000 1
1 222 . 12 1 1 A 24 24 ASN C C 51 170.660 173.750 -3.090 1
1 223 . 12 1 1 A 24 24 ASN CA C 51 56.080 54.384 1.696 1
1 224 . 12 1 1 A 24 24 ASN CB C 51 37.430 36.679 0.751 1
1 226 . 12 1 1 A 25 25 THR H H 52 7.190 7.438 -0.248 1
1 227 . 12 1 1 A 25 25 THR HA H 52 5.370 5.099 0.271 1
1 232 . 12 1 1 A 25 25 THR C C 52 169.910 172.333 -2.423 1
1 233 . 12 1 1 A 25 25 THR CA C 52 59.890 59.475 0.415 1
1 234 . 12 1 1 A 25 25 THR CB C 52 73.940 72.451 1.489 1
1 236 . 12 1 1 A 25 25 THR N N 52 105.820 106.128 -0.308 1
1 237 . 12 1 1 A 26 26 CYS H H 53 8.960 8.963 -0.003 1
1 238 . 12 1 1 A 26 26 CYS HA H 53 5.000 5.372 -0.372 1
1 241 . 12 1 1 A 26 26 CYS C C 53 168.780 171.305 -2.525 1
1 242 . 12 1 1 A 26 26 CYS CA C 53 52.560 53.604 -1.044 1
1 243 . 12 1 1 A 26 26 CYS CB C 53 48.650 46.581 2.069 1
1 244 . 12 1 1 A 26 26 CYS N N 53 116.070 118.971 -2.901 1
1 245 . 12 1 1 A 27 27 ILE H H 54 8.530 8.465 0.065 1
1 246 . 12 1 1 A 27 27 ILE HA H 54 5.210 4.954 0.256 1
1 256 . 12 1 1 A 27 27 ILE C C 54 173.400 174.655 -1.255 1
1 257 . 12 1 1 A 27 27 ILE CA C 54 59.200 60.075 -0.875 1
1 258 . 12 1 1 A 27 27 ILE CB C 54 40.220 39.940 0.280 1
1 262 . 12 1 1 A 27 27 ILE N N 54 120.170 121.004 -0.834 1
1 263 . 12 1 1 A 28 28 THR H H 55 9.200 8.752 0.448 1
1 264 . 12 1 1 A 28 28 THR HA H 55 4.800 5.190 -0.390 1
1 269 . 12 1 1 A 28 28 THR C C 55 168.370 172.575 -4.205 1
1 270 . 12 1 1 A 28 28 THR CA C 55 60.060 59.641 0.419 1
1 271 . 12 1 1 A 28 28 THR CB C 55 70.490 71.343 -0.853 1
1 273 . 12 1 1 A 28 28 THR N N 55 120.750 120.672 0.078 1
1 274 . 12 1 1 A 29 29 ASN H H 56 8.000 8.464 -0.464 1
1 275 . 12 1 1 A 29 29 ASN HA H 56 4.920 4.907 0.013 1
1 280 . 12 1 1 A 29 29 ASN C C 56 172.880 175.485 -2.605 1
1 281 . 12 1 1 A 29 29 ASN CA C 56 52.620 51.550 1.070 1
1 282 . 12 1 1 A 29 29 ASN CB C 56 38.920 38.117 0.803 1
1 283 . 12 1 1 A 29 29 ASN N N 56 120.880 123.538 -2.658 1
1 285 . 12 1 1 A 30 30 GLY H H 57 8.510 7.623 0.887 1
1 286 . 12 1 1 A 30 30 GLY HA2 H 57 4.140 4.038 0.102 1
1 287 . 12 1 1 A 30 30 GLY HA3 H 57 3.960 4.105 -0.145 1
1 288 . 12 1 1 A 30 30 GLY C C 57 169.020 172.936 -3.916 1
1 289 . 12 1 1 A 30 30 GLY CA C 57 45.800 45.366 0.434 1
1 290 . 12 1 1 A 30 30 GLY N N 57 111.380 109.378 2.002 1
1 291 . 12 1 1 A 31 31 HIS H H 58 8.560 7.641 0.919 1
1 292 . 12 1 1 A 31 31 HIS HA H 58 4.710 5.275 -0.565 1
1 295 . 12 1 1 A 31 31 HIS C C 58 171.200 173.957 -2.757 1
1 296 . 12 1 1 A 31 31 HIS CA C 58 56.140 54.618 1.522 1
1 297 . 12 1 1 A 31 31 HIS CB C 58 34.650 33.814 0.836 1
1 298 . 12 1 1 A 31 31 HIS N N 58 120.870 115.717 5.153 1
1 299 . 12 1 1 A 32 32 CYS H H 59 8.710 8.503 0.207 1
1 300 . 12 1 1 A 32 32 CYS HA H 59 5.700 5.226 0.474 1
1 303 . 12 1 1 A 32 32 CYS C C 59 173.470 173.475 -0.005 1
1 304 . 12 1 1 A 32 32 CYS CA C 59 52.340 55.148 -2.808 1
1 305 . 12 1 1 A 32 32 CYS CB C 59 36.950 44.189 -7.239 1
1 306 . 12 1 1 A 32 32 CYS N N 59 117.290 119.588 -2.298 1
1 307 . 12 1 1 A 33 33 PHE H H 60 8.700 8.450 0.250 1
1 308 . 12 1 1 A 33 33 PHE HA H 60 6.110 5.819 0.291 1
1 316 . 12 1 1 A 33 33 PHE C C 60 172.200 172.894 -0.694 1
1 317 . 12 1 1 A 33 33 PHE CA C 60 56.630 55.444 1.186 1
1 318 . 12 1 1 A 33 33 PHE CB C 60 44.830 42.480 2.350 1
1 319 . 12 1 1 A 33 33 PHE N N 60 116.070 120.065 -3.995 1
1 320 . 12 1 1 A 34 34 ALA H H 61 9.200 8.431 0.769 1
1 321 . 12 1 1 A 34 34 ALA HA H 61 5.000 4.981 0.019 1
1 325 . 12 1 1 A 34 34 ALA C C 61 171.610 175.726 -4.116 1
1 326 . 12 1 1 A 34 34 ALA CA C 61 52.320 51.471 0.849 1
1 327 . 12 1 1 A 34 34 ALA CB C 61 23.950 23.363 0.587 1
1 328 . 12 1 1 A 34 34 ALA N N 61 125.170 120.867 4.303 1
1 329 . 12 1 1 A 35 35 ILE H H 62 9.470 8.644 0.826 1
1 330 . 12 1 1 A 35 35 ILE HA H 62 5.350 4.914 0.436 1
1 340 . 12 1 1 A 35 35 ILE C C 62 170.850 173.209 -2.359 1
1 341 . 12 1 1 A 35 35 ILE CA C 62 59.260 59.525 -0.265 1
1 342 . 12 1 1 A 35 35 ILE CB C 62 43.660 42.349 1.311 1
1 346 . 12 1 1 A 35 35 ILE N N 62 120.630 119.325 1.305 1
1 347 . 12 1 1 A 36 36 ILE H H 63 8.500 8.935 -0.435 1
1 348 . 12 1 1 A 36 36 ILE HA H 63 5.240 5.274 -0.034 1
1 358 . 12 1 1 A 36 36 ILE C C 63 170.510 173.083 -2.573 1
1 359 . 12 1 1 A 36 36 ILE CA C 63 59.130 59.137 -0.007 1
1 360 . 12 1 1 A 36 36 ILE CB C 63 41.670 42.432 -0.762 1
1 364 . 12 1 1 A 36 36 ILE N N 63 125.830 126.352 -0.522 1
1 365 . 12 1 1 A 37 37 GLU H H 64 8.450 8.762 -0.312 1
1 366 . 12 1 1 A 37 37 GLU HA H 64 5.010 4.929 0.081 1
1 371 . 12 1 1 A 37 37 GLU C C 64 171.410 174.444 -3.034 1
1 372 . 12 1 1 A 37 37 GLU CA C 64 54.830 55.047 -0.217 1
1 373 . 12 1 1 A 37 37 GLU CB C 64 34.320 34.321 -0.001 1
1 375 . 12 1 1 A 37 37 GLU N N 64 124.570 127.045 -2.475 1
1 376 . 12 1 1 A 38 38 GLU H H 65 8.300 8.554 -0.254 1
1 377 . 12 1 1 A 38 38 GLU HA H 65 5.040 4.944 0.096 1
1 382 . 12 1 1 A 38 38 GLU C C 65 172.920 175.932 -3.012 1
1 383 . 12 1 1 A 38 38 GLU CA C 65 54.760 55.086 -0.326 1
1 384 . 12 1 1 A 38 38 GLU CB C 65 33.470 31.567 1.903 1
1 386 . 12 1 1 A 38 38 GLU N N 65 123.960 123.717 0.243 1
1 387 . 12 1 1 A 39 39 ASP H H 66 8.470 8.315 0.155 1
1 388 . 12 1 1 A 39 39 ASP HA H 66 4.750 4.902 -0.152 1
1 391 . 12 1 1 A 39 39 ASP C C 66 174.940 176.449 -1.509 1
1 392 . 12 1 1 A 39 39 ASP CA C 66 52.890 52.524 0.366 1
1 393 . 12 1 1 A 39 39 ASP CB C 66 41.990 41.422 0.568 1
1 394 . 12 1 1 A 39 39 ASP N N 66 124.870 126.978 -2.108 1
1 395 . 12 1 1 A 40 40 ASP H H 67 8.380 8.935 -0.555 1
1 396 . 12 1 1 A 40 40 ASP HA H 67 4.310 4.307 0.003 1
1 399 . 12 1 1 A 40 40 ASP C C 67 174.210 177.095 -2.885 1
1 400 . 12 1 1 A 40 40 ASP CA C 67 56.350 56.401 -0.051 1
1 401 . 12 1 1 A 40 40 ASP CB C 67 40.510 40.759 -0.249 1
1 402 . 12 1 1 A 40 40 ASP N N 67 116.220 120.025 -3.805 1
1 403 . 12 1 1 A 41 41 GLN H H 68 8.200 7.803 0.397 1
1 404 . 12 1 1 A 41 41 GLN HA H 68 4.380 4.373 0.007 1
1 411 . 12 1 1 A 41 41 GLN C C 68 173.740 176.417 -2.677 1
1 412 . 12 1 1 A 41 41 GLN CA C 68 55.590 55.611 -0.021 1
1 413 . 12 1 1 A 41 41 GLN CB C 68 29.780 29.453 0.327 1
1 415 . 12 1 1 A 41 41 GLN N N 68 117.190 116.024 1.166 1
1 417 . 12 1 1 A 42 42 GLY H H 69 8.000 8.241 -0.241 1
1 418 . 12 1 1 A 42 42 GLY HA2 H 69 3.630 3.904 -0.274 1
1 419 . 12 1 1 A 42 42 GLY HA3 H 69 4.140 3.906 0.234 1
1 420 . 12 1 1 A 42 42 GLY C C 69 171.650 174.220 -2.570 1
1 421 . 12 1 1 A 42 42 GLY CA C 69 45.730 45.669 0.061 1
1 422 . 12 1 1 A 42 42 GLY N N 69 108.130 108.569 -0.439 1
1 423 . 12 1 1 A 43 43 GLU H H 70 8.410 7.571 0.839 1
1 424 . 12 1 1 A 43 43 GLU HA H 70 4.450 4.603 -0.153 1
1 429 . 12 1 1 A 43 43 GLU C C 70 173.970 176.363 -2.393 1
1 430 . 12 1 1 A 43 43 GLU CA C 70 56.020 55.116 0.904 1
1 431 . 12 1 1 A 43 43 GLU CB C 70 30.300 31.063 -0.763 1
1 433 . 12 1 1 A 43 43 GLU N N 70 122.300 119.849 2.451 1
1 434 . 12 1 1 A 44 44 THR H H 71 8.620 8.503 0.117 1
1 435 . 12 1 1 A 44 44 THR HA H 71 5.210 5.209 0.001 1
1 440 . 12 1 1 A 44 44 THR C C 71 172.160 174.039 -1.879 1
1 441 . 12 1 1 A 44 44 THR CA C 71 61.600 60.801 0.799 1
1 442 . 12 1 1 A 44 44 THR CB C 71 71.000 70.122 0.878 1
1 444 . 12 1 1 A 44 44 THR N N 71 117.330 113.597 3.733 1
1 445 . 12 1 1 A 45 45 THR H H 72 8.760 8.687 0.073 1
1 446 . 12 1 1 A 45 45 THR HA H 72 4.500 5.093 -0.593 1
1 451 . 12 1 1 A 45 45 THR C C 72 169.600 173.806 -4.206 1
1 452 . 12 1 1 A 45 45 THR CA C 72 61.270 60.558 0.712 1
1 453 . 12 1 1 A 45 45 THR CB C 72 72.320 70.112 2.208 1
1 455 . 12 1 1 A 45 45 THR N N 72 117.840 117.436 0.404 1
1 456 . 12 1 1 A 46 46 LEU H H 73 8.400 9.198 -0.798 1
1 457 . 12 1 1 A 46 46 LEU HA H 73 5.250 5.084 0.166 1
1 464 . 12 1 1 A 46 46 LEU C C 73 173.150 175.639 -2.489 1
1 465 . 12 1 1 A 46 46 LEU CA C 73 54.300 53.879 0.421 1
1 466 . 12 1 1 A 46 46 LEU CB C 73 44.860 43.528 1.332 1
1 470 . 12 1 1 A 46 46 LEU N N 73 126.020 127.627 -1.607 1
1 471 . 12 1 1 A 47 47 ALA HA H 74 4.760 5.567 -0.807 1
1 475 . 12 1 1 A 47 47 ALA C C 74 172.740 175.510 -2.770 1
1 476 . 12 1 1 A 47 47 ALA CA C 74 51.440 50.914 0.526 1
1 477 . 12 1 1 A 47 47 ALA CB C 74 23.350 23.625 -0.275 1
1 478 . 12 1 1 A 48 48 SER H H 75 8.700 8.331 0.369 1
1 479 . 12 1 1 A 48 48 SER HA H 75 4.500 4.625 -0.125 1
1 482 . 12 1 1 A 48 48 SER C C 75 171.590 172.935 -1.345 1
1 483 . 12 1 1 A 48 48 SER CA C 75 57.740 56.395 1.345 1
1 484 . 12 1 1 A 48 48 SER CB C 75 65.700 65.960 -0.260 1
1 485 . 12 1 1 A 48 48 SER N N 75 111.400 114.243 -2.843 1
1 486 . 12 1 1 A 49 49 GLY H H 76 6.440 7.231 -0.791 1
1 487 . 12 1 1 A 49 49 GLY HA2 H 76 3.850 3.854 -0.004 1
1 488 . 12 1 1 A 49 49 GLY HA3 H 76 3.730 3.871 -0.141 1
1 489 . 12 1 1 A 49 49 GLY C C 76 167.890 171.176 -3.286 1
1 490 . 12 1 1 A 49 49 GLY CA C 76 47.420 45.875 1.545 1
1 491 . 12 1 1 A 49 49 GLY N N 76 105.480 105.514 -0.034 1
1 492 . 12 1 1 A 50 50 CYS H H 77 8.740 8.324 0.416 1
1 493 . 12 1 1 A 50 50 CYS HA H 77 4.950 5.343 -0.393 1
1 496 . 12 1 1 A 50 50 CYS C C 77 170.670 172.725 -2.055 1
1 497 . 12 1 1 A 50 50 CYS CA C 77 60.030 55.288 4.742 1
1 498 . 12 1 1 A 50 50 CYS CB C 77 46.100 43.424 2.676 1
1 499 . 12 1 1 A 50 50 CYS N N 77 118.960 119.989 -1.029 1
1 500 . 12 1 1 A 51 51 MET H H 78 9.240 9.084 0.156 1
1 501 . 12 1 1 A 51 51 MET HA H 78 4.760 4.991 -0.231 1
1 509 . 12 1 1 A 51 51 MET C C 78 171.990 176.035 -4.045 1
1 510 . 12 1 1 A 51 51 MET CA C 78 54.630 54.178 0.452 1
1 511 . 12 1 1 A 51 51 MET CB C 78 35.810 34.931 0.879 1
1 514 . 12 1 1 A 51 51 MET N N 78 122.340 125.945 -3.605 1
1 515 . 12 1 1 A 52 52 LYS H H 79 8.430 8.428 0.002 1
1 516 . 12 1 1 A 52 52 LYS HA H 79 4.160 4.274 -0.114 1
1 525 . 12 1 1 A 52 52 LYS C C 79 173.040 175.857 -2.817 1
1 526 . 12 1 1 A 52 52 LYS CA C 79 57.120 56.160 0.960 1
1 527 . 12 1 1 A 52 52 LYS CB C 79 33.720 32.808 0.912 1
1 531 . 12 1 1 A 52 52 LYS N N 79 125.030 124.277 0.753 1
1 532 . 12 1 1 A 53 53 TYR H H 80 8.400 8.786 -0.386 1
1 533 . 12 1 1 A 53 53 TYR HA H 80 4.200 4.553 -0.353 1
1 536 . 12 1 1 A 53 53 TYR C C 80 173.370 175.344 -1.974 1
1 537 . 12 1 1 A 53 53 TYR CA C 80 59.910 59.238 0.672 1
1 538 . 12 1 1 A 53 53 TYR CB C 80 39.000 39.275 -0.275 1
1 539 . 12 1 1 A 53 53 TYR N N 80 121.420 121.076 0.344 1
1 540 . 12 1 1 A 54 54 GLU H H 81 8.490 8.569 -0.079 1
1 541 . 12 1 1 A 54 54 GLU HA H 81 4.170 4.581 -0.411 1
1 545 . 12 1 1 A 54 54 GLU C C 81 173.240 176.540 -3.300 1
1 546 . 12 1 1 A 54 54 GLU CA C 81 56.440 56.643 -0.203 1
1 547 . 12 1 1 A 54 54 GLU CB C 81 30.860 32.347 -1.487 1
1 549 . 12 1 1 A 54 54 GLU N N 81 123.790 124.448 -0.658 1
1 550 . 12 1 1 A 55 55 GLY H H 82 7.200 7.356 -0.156 1
1 551 . 12 1 1 A 55 55 GLY HA2 H 82 4.050 3.773 0.277 1
1 552 . 12 1 1 A 55 55 GLY HA3 H 82 3.690 3.893 -0.203 1
1 553 . 12 1 1 A 55 55 GLY C C 82 171.520 174.709 -3.189 1
1 554 . 12 1 1 A 55 55 GLY CA C 82 45.680 45.194 0.486 1
1 555 . 12 1 1 A 55 55 GLY N N 82 108.400 107.031 1.369 1
1 556 . 12 1 1 A 56 56 SER H H 83 8.140 7.848 0.292 1
1 557 . 12 1 1 A 56 56 SER HA H 83 4.280 4.327 -0.047 1
1 560 . 12 1 1 A 56 56 SER C C 83 171.900 174.990 -3.090 1
1 561 . 12 1 1 A 56 56 SER CA C 83 59.270 59.199 0.071 1
1 562 . 12 1 1 A 56 56 SER CB C 83 63.960 63.565 0.395 1
1 563 . 12 1 1 A 56 56 SER N N 83 114.650 116.490 -1.840 1
1 564 . 12 1 1 A 57 57 ASP H H 84 8.340 8.990 -0.650 1
1 565 . 12 1 1 A 57 57 ASP HA H 84 4.430 4.357 0.073 1
1 568 . 12 1 1 A 57 57 ASP C C 84 173.100 176.525 -3.425 1
1 569 . 12 1 1 A 57 57 ASP CA C 84 54.950 56.225 -1.275 1
1 570 . 12 1 1 A 57 57 ASP CB C 84 40.840 40.895 -0.055 1
1 571 . 12 1 1 A 57 57 ASP N N 84 121.230 124.598 -3.368 1
1 572 . 12 1 1 A 58 58 PHE H H 85 7.730 8.145 -0.415 1
1 573 . 12 1 1 A 58 58 PHE HA H 85 4.260 4.744 -0.484 1
1 581 . 12 1 1 A 58 58 PHE C C 85 172.590 174.694 -2.104 1
1 582 . 12 1 1 A 58 58 PHE CA C 85 58.520 57.430 1.090 1
1 583 . 12 1 1 A 58 58 PHE CB C 85 39.840 39.754 0.086 1
1 584 . 12 1 1 A 58 58 PHE N N 85 118.920 116.386 2.534 1
1 585 . 12 1 1 A 59 59 GLN H H 86 7.790 7.579 0.211 1
1 586 . 12 1 1 A 59 59 GLN HA H 86 4.070 4.547 -0.477 1
1 593 . 12 1 1 A 59 59 GLN C C 86 172.550 175.259 -2.709 1
1 594 . 12 1 1 A 59 59 GLN CA C 86 56.000 54.898 1.102 1
1 595 . 12 1 1 A 59 59 GLN CB C 86 30.600 26.697 3.903 1
1 597 . 12 1 1 A 59 59 GLN N N 86 120.280 119.205 1.075 1
1 599 . 12 1 1 A 60 60 CYS H H 87 8.100 8.186 -0.086 1
1 600 . 12 1 1 A 60 60 CYS HA H 87 4.140 4.836 -0.696 1
1 603 . 12 1 1 A 60 60 CYS C C 87 170.910 173.519 -2.609 1
1 604 . 12 1 1 A 60 60 CYS CA C 87 56.810 55.428 1.382 1
1 605 . 12 1 1 A 60 60 CYS CB C 87 40.780 42.775 -1.995 1
1 606 . 12 1 1 A 60 60 CYS N N 87 118.790 124.277 -5.487 1
1 607 . 12 1 1 A 61 61 LYS H H 88 7.610 7.585 0.025 1
1 608 . 12 1 1 A 61 61 LYS HA H 88 4.280 4.494 -0.214 1
1 617 . 12 1 1 A 61 61 LYS C C 88 172.330 175.246 -2.916 1
1 618 . 12 1 1 A 61 61 LYS CA C 88 56.210 55.469 0.741 1
1 619 . 12 1 1 A 61 61 LYS CB C 88 34.210 33.701 0.509 1
1 623 . 12 1 1 A 61 61 LYS N N 88 120.330 119.675 0.655 1
1 624 . 12 1 1 A 62 62 ASP H H 89 8.180 8.607 -0.427 1
1 625 . 12 1 1 A 62 62 ASP HA H 89 4.500 5.369 -0.869 1
1 628 . 12 1 1 A 62 62 ASP C C 89 172.970 174.964 -1.994 1
1 629 . 12 1 1 A 62 62 ASP CA C 89 54.200 52.418 1.782 1
1 630 . 12 1 1 A 62 62 ASP CB C 89 42.090 43.426 -1.336 1
1 631 . 12 1 1 A 62 62 ASP N N 89 121.190 118.911 2.279 1
1 632 . 12 1 1 A 63 63 SER H H 90 8.190 8.770 -0.580 1
1 633 . 12 1 1 A 63 63 SER HA H 90 4.640 4.698 -0.058 1
1 636 . 12 1 1 A 63 63 SER C C 90 170.240 174.436 -4.196 1
1 637 . 12 1 1 A 63 63 SER CA C 90 56.600 57.283 -0.683 1
1 638 . 12 1 1 A 63 63 SER CB C 90 63.770 63.239 0.531 1
1 639 . 12 1 1 A 63 63 SER N N 90 116.710 118.977 -2.267 1
1 640 . 12 1 1 A 64 64 PRO HA H 91 4.350 4.600 -0.250 1
1 647 . 12 1 1 A 64 64 PRO CA C 91 63.800 62.814 0.986 1
1 648 . 12 1 1 A 64 64 PRO CB C 91 32.410 29.729 2.681 1
1 651 . 12 1 1 A 65 65 LYS H H 92 8.240 7.982 0.258 1
1 652 . 12 1 1 A 65 65 LYS HA H 92 4.210 4.639 -0.429 1
1 661 . 12 1 1 A 65 65 LYS C C 92 173.330 176.185 -2.855 1
1 662 . 12 1 1 A 65 65 LYS CA C 92 56.410 55.455 0.955 1
1 663 . 12 1 1 A 65 65 LYS CB C 92 33.230 32.836 0.394 1
1 667 . 12 1 1 A 65 65 LYS N N 92 120.180 118.004 2.176 1
1 668 . 12 1 1 A 66 66 ALA H H 93 8.040 7.550 0.490 1
1 669 . 12 1 1 A 66 66 ALA HA H 93 4.210 4.321 -0.111 1
1 673 . 12 1 1 A 66 66 ALA C C 93 174.580 176.581 -2.001 1
1 674 . 12 1 1 A 66 66 ALA CA C 93 53.020 52.046 0.974 1
1 675 . 12 1 1 A 66 66 ALA CB C 93 19.760 20.061 -0.301 1
1 676 . 12 1 1 A 66 66 ALA N N 93 124.050 122.395 1.655 1
1 677 . 12 1 1 A 67 67 GLN H H 94 8.320 8.772 -0.452 1
1 678 . 12 1 1 A 67 67 GLN HA H 94 4.190 4.822 -0.632 1
1 685 . 12 1 1 A 67 67 GLN C C 94 172.780 173.777 -0.997 1
1 686 . 12 1 1 A 67 67 GLN CA C 94 56.750 54.270 2.480 1
1 687 . 12 1 1 A 67 67 GLN CB C 94 29.100 31.549 -2.449 1
1 689 . 12 1 1 A 67 67 GLN N N 94 117.930 118.381 -0.451 1
1 691 . 12 1 1 A 68 68 LEU H H 95 7.730 8.300 -0.570 1
1 692 . 12 1 1 A 68 68 LEU HA H 95 4.360 4.408 -0.048 1
1 702 . 12 1 1 A 68 68 LEU C C 95 174.270 176.406 -2.136 1
1 703 . 12 1 1 A 68 68 LEU CA C 95 54.970 55.091 -0.121 1
1 704 . 12 1 1 A 68 68 LEU CB C 95 43.120 43.203 -0.083 1
1 708 . 12 1 1 A 68 68 LEU N N 95 120.470 122.892 -2.422 1
1 709 . 12 1 1 A 69 69 ARG H H 96 8.600 8.437 0.163 1
1 710 . 12 1 1 A 69 69 ARG HA H 96 4.230 4.472 -0.242 1
1 718 . 12 1 1 A 69 69 ARG C C 96 171.700 175.751 -4.051 1
1 719 . 12 1 1 A 69 69 ARG CA C 96 56.570 56.707 -0.137 1
1 720 . 12 1 1 A 69 69 ARG CB C 96 30.660 31.065 -0.405 1
1 723 . 12 1 1 A 69 69 ARG N N 96 121.670 124.513 -2.843 1
1 725 . 12 1 1 A 70 70 ARG H H 97 7.800 8.670 -0.870 1
1 726 . 12 1 1 A 70 70 ARG HA H 97 5.170 5.201 -0.031 1
1 734 . 12 1 1 A 70 70 ARG C C 97 172.120 173.315 -1.195 1
1 735 . 12 1 1 A 70 70 ARG CA C 97 55.260 54.655 0.605 1
1 736 . 12 1 1 A 70 70 ARG CB C 97 34.040 34.144 -0.104 1
1 739 . 12 1 1 A 70 70 ARG N N 97 120.130 122.592 -2.462 1
1 741 . 12 1 1 A 71 71 THR H H 98 8.610 8.166 0.444 1
1 742 . 12 1 1 A 71 71 THR HA H 98 4.600 5.198 -0.598 1
1 747 . 12 1 1 A 71 71 THR C C 98 169.250 173.557 -4.307 1
1 748 . 12 1 1 A 71 71 THR CA C 98 62.030 61.497 0.533 1
1 749 . 12 1 1 A 71 71 THR CB C 98 71.970 72.119 -0.149 1
1 751 . 12 1 1 A 71 71 THR N N 98 118.550 113.898 4.652 1
1 752 . 12 1 1 A 72 72 ILE H H 99 8.520 8.732 -0.212 1
1 753 . 12 1 1 A 72 72 ILE HA H 99 5.080 5.095 -0.015 1
1 763 . 12 1 1 A 72 72 ILE C C 99 170.930 172.953 -2.023 1
1 764 . 12 1 1 A 72 72 ILE CA C 99 59.370 59.353 0.017 1
1 765 . 12 1 1 A 72 72 ILE CB C 99 42.140 42.370 -0.230 1
1 769 . 12 1 1 A 72 72 ILE N N 99 125.230 122.965 2.265 1
1 770 . 12 1 1 A 73 73 GLU H H 100 8.860 8.664 0.196 1
1 771 . 12 1 1 A 73 73 GLU HA H 100 4.670 5.169 -0.499 1
1 776 . 12 1 1 A 73 73 GLU C C 100 172.200 174.978 -2.778 1
1 777 . 12 1 1 A 73 73 GLU CA C 100 55.840 54.816 1.024 1
1 778 . 12 1 1 A 73 73 GLU CB C 100 34.410 34.188 0.222 1
1 780 . 12 1 1 A 73 73 GLU N N 100 125.680 125.715 -0.035 1
1 781 . 12 1 1 A 74 74 CYS H H 101 8.830 9.080 -0.250 1
1 782 . 12 1 1 A 74 74 CYS HA H 101 5.790 5.617 0.173 1
1 785 . 12 1 1 A 74 74 CYS C C 101 170.360 172.634 -2.274 1
1 786 . 12 1 1 A 74 74 CYS CA C 101 55.010 54.520 0.490 1
1 787 . 12 1 1 A 74 74 CYS CB C 101 45.320 45.838 -0.518 1
1 788 . 12 1 1 A 74 74 CYS N N 101 119.260 117.404 1.856 1
1 789 . 12 1 1 A 75 75 CYS H H 102 9.130 8.619 0.511 1
1 790 . 12 1 1 A 75 75 CYS HA H 102 5.000 5.331 -0.331 1
1 793 . 12 1 1 A 75 75 CYS C C 102 170.670 171.900 -1.230 1
1 794 . 12 1 1 A 75 75 CYS CA C 102 56.180 55.482 0.698 1
1 795 . 12 1 1 A 75 75 CYS CB C 102 46.090 46.351 -0.261 1
1 796 . 12 1 1 A 75 75 CYS N N 102 116.460 118.907 -2.447 1
1 797 . 12 1 1 A 76 76 ARG H H 103 9.240 9.142 0.098 1
1 798 . 12 1 1 A 76 76 ARG HA H 103 4.800 4.525 0.275 1
1 806 . 12 1 1 A 76 76 ARG C C 103 172.120 174.690 -2.570 1
1 807 . 12 1 1 A 76 76 ARG CA C 103 56.230 55.113 1.117 1
1 808 . 12 1 1 A 76 76 ARG CB C 103 32.610 29.565 3.045 1
1 811 . 12 1 1 A 76 76 ARG N N 103 122.520 125.366 -2.846 1
1 813 . 12 1 1 A 77 77 THR H H 104 7.440 7.735 -0.295 1
1 814 . 12 1 1 A 77 77 THR HA H 104 4.600 5.172 -0.572 1
1 819 . 12 1 1 A 77 77 THR C C 104 171.890 173.626 -1.736 1
1 820 . 12 1 1 A 77 77 THR CA C 104 61.270 59.528 1.742 1
1 821 . 12 1 1 A 77 77 THR CB C 104 72.490 72.024 0.466 1
1 823 . 12 1 1 A 77 77 THR N N 104 109.730 112.152 -2.422 1
1 824 . 12 1 1 A 78 78 ASN H H 105 8.590 8.696 -0.106 1
1 825 . 12 1 1 A 78 78 ASN HA H 105 4.790 4.647 0.143 1
1 830 . 12 1 1 A 78 78 ASN C C 105 174.150 175.291 -1.141 1
1 831 . 12 1 1 A 78 78 ASN CA C 105 55.870 54.169 1.701 1
1 832 . 12 1 1 A 78 78 ASN CB C 105 39.260 38.231 1.029 1
1 833 . 12 1 1 A 78 78 ASN N N 105 119.360 119.442 -0.082 1
1 835 . 12 1 1 A 79 79 LEU H H 106 9.980 8.780 1.200 1
1 836 . 12 1 1 A 79 79 LEU HA H 106 3.680 3.905 -0.225 1
1 846 . 12 1 1 A 79 79 LEU C C 106 175.050 177.524 -2.474 1
1 847 . 12 1 1 A 79 79 LEU CA C 106 56.790 56.083 0.707 1
1 848 . 12 1 1 A 79 79 LEU CB C 106 38.920 39.339 -0.419 1
1 852 . 12 1 1 A 79 79 LEU N N 106 118.230 117.736 0.494 1
1 853 . 12 1 1 A 80 80 CYS H H 107 8.250 8.031 0.219 1
1 854 . 12 1 1 A 80 80 CYS HA H 107 4.320 4.433 -0.113 1
1 857 . 12 1 1 A 80 80 CYS C C 107 172.470 174.918 -2.448 1
1 858 . 12 1 1 A 80 80 CYS CA C 107 58.370 58.717 -0.347 1
1 859 . 12 1 1 A 80 80 CYS CB C 107 46.090 42.123 3.967 1
1 860 . 12 1 1 A 80 80 CYS N N 107 115.460 116.215 -0.755 1
1 861 . 12 1 1 A 81 81 ASN H H 108 8.590 7.933 0.657 1
1 862 . 12 1 1 A 81 81 ASN HA H 108 4.430 4.624 -0.194 1
1 867 . 12 1 1 A 81 81 ASN C C 108 172.210 177.430 -5.220 1
1 868 . 12 1 1 A 81 81 ASN CA C 108 53.320 54.778 -1.458 1
1 869 . 12 1 1 A 81 81 ASN CB C 108 37.290 38.764 -1.474 1
1 870 . 12 1 1 A 81 81 ASN N N 108 118.040 119.299 -1.259 1
1 872 . 12 1 1 A 82 82 GLN H H 109 7.490 8.082 -0.592 1
1 873 . 12 1 1 A 82 82 GLN HA H 109 3.380 3.621 -0.241 1
1 880 . 12 1 1 A 82 82 GLN C C 109 172.300 176.838 -4.538 1
1 881 . 12 1 1 A 82 82 GLN CA C 109 58.940 58.266 0.674 1
1 882 . 12 1 1 A 82 82 GLN CB C 109 28.770 27.743 1.027 1
1 884 . 12 1 1 A 82 82 GLN N N 109 121.350 119.951 1.399 1
1 886 . 12 1 1 A 83 83 TYR H H 110 7.830 7.669 0.161 1
1 887 . 12 1 1 A 83 83 TYR HA H 110 4.590 4.655 -0.065 1
1 892 . 12 1 1 A 83 83 TYR CA C 110 56.490 57.465 -0.975 1
1 893 . 12 1 1 A 83 83 TYR CB C 110 38.400 38.042 0.358 1
1 894 . 12 1 1 A 83 83 TYR N N 110 114.600 116.558 -1.958 1
1 895 . 12 1 1 A 84 84 LEU H H 111 6.610 7.352 -0.742 1
1 896 . 12 1 1 A 84 84 LEU HA H 111 4.170 5.019 -0.849 1
1 905 . 12 1 1 A 84 84 LEU C C 111 172.880 174.743 -1.863 1
1 906 . 12 1 1 A 84 84 LEU CA C 111 55.250 53.528 1.722 1
1 907 . 12 1 1 A 84 84 LEU CB C 111 43.400 44.889 -1.489 1
1 911 . 12 1 1 A 84 84 LEU N N 111 120.140 121.996 -1.856 1
1 912 . 12 1 1 A 85 85 GLN H H 112 8.780 9.002 -0.222 1
1 913 . 12 1 1 A 85 85 GLN HA H 112 4.570 4.830 -0.260 1
1 920 . 12 1 1 A 85 85 GLN C C 112 169.480 174.366 -4.886 1
1 921 . 12 1 1 A 85 85 GLN CA C 112 53.110 52.768 0.342 1
1 922 . 12 1 1 A 85 85 GLN CB C 112 30.000 30.139 -0.139 1
1 924 . 12 1 1 A 85 85 GLN N N 112 122.790 127.686 -4.896 1
1 926 . 12 1 1 A 86 86 PRO HA H 113 4.400 4.902 -0.502 1
1 931 . 12 1 1 A 86 86 PRO CA C 113 63.040 62.616 0.424 1
1 932 . 12 1 1 A 86 86 PRO CB C 113 32.400 31.912 0.488 1
1 935 . 12 1 1 A 87 87 THR H H 114 8.180 8.560 -0.380 1
1 936 . 12 1 1 A 87 87 THR HA H 114 4.400 5.041 -0.641 1
1 941 . 12 1 1 A 87 87 THR C C 114 172.180 173.043 -0.863 1
1 942 . 12 1 1 A 87 87 THR CA C 114 60.960 59.747 1.213 1
1 943 . 12 1 1 A 87 87 THR CB C 114 71.290 72.126 -0.836 1
1 945 . 12 1 1 A 87 87 THR N N 114 111.930 112.507 -0.577 1
1 946 . 12 1 1 A 88 88 LEU H H 115 8.580 8.643 -0.063 1
1 947 . 12 1 1 A 88 88 LEU HA H 115 4.300 4.821 -0.521 1
1 956 . 12 1 1 A 88 88 LEU C C 115 171.740 175.033 -3.293 1
1 957 . 12 1 1 A 88 88 LEU CA C 115 53.230 53.450 -0.220 1
1 958 . 12 1 1 A 88 88 LEU CB C 115 41.900 41.842 0.058 1
1 962 . 12 1 1 A 88 88 LEU N N 115 125.290 124.761 0.529 1
1 963 . 12 1 1 A 89 89 PRO HA H 116 4.630 4.619 0.011 1
1 970 . 12 1 1 A 89 89 PRO CA C 116 61.580 61.462 0.118 1
1 971 . 12 1 1 A 89 89 PRO CB C 116 30.980 32.017 -1.037 1
1 974 . 12 1 1 A 90 90 PRO HA H 117 4.350 4.619 -0.269 1
1 977 . 12 1 1 A 90 90 PRO CA C 117 63.010 62.505 0.505 1
1 978 . 12 1 1 A 90 90 PRO CB C 117 32.300 32.503 -0.203 1
1 981 . 12 1 1 A 91 91 VAL H H 118 8.190 8.444 -0.254 1
1 982 . 12 1 1 A 91 91 VAL HA H 118 3.900 4.396 -0.496 1
1 990 . 12 1 1 A 91 91 VAL C C 118 173.270 175.645 -2.375 1
1 991 . 12 1 1 A 91 91 VAL CA C 118 62.890 62.614 0.276 1
1 992 . 12 1 1 A 91 91 VAL CB C 118 32.980 32.235 0.745 1
1 994 . 12 1 1 A 91 91 VAL N N 118 120.460 122.691 -2.231 1
1 995 . 12 1 1 A 92 92 VAL H H 119 8.180 8.448 -0.268 1
1 996 . 12 1 1 A 92 92 VAL HA H 119 4.040 4.525 -0.485 1
1 1004 . 12 1 1 A 92 92 VAL C C 119 172.960 174.848 -1.888 1
1 1005 . 12 1 1 A 92 92 VAL CA C 119 62.250 61.155 1.095 1
1 1006 . 12 1 1 A 92 92 VAL CB C 119 33.280 32.686 0.594 1
1 1008 . 12 1 1 A 92 92 VAL N N 119 125.030 123.629 1.401 1
1 1009 . 12 1 1 A 93 93 ILE H H 120 8.220 8.790 -0.570 1
1 1010 . 12 1 1 A 93 93 ILE HA H 120 4.110 4.426 -0.316 1
1 1015 . 12 1 1 A 93 93 ILE C C 120 173.440 175.440 -2.000 1
1 1016 . 12 1 1 A 93 93 ILE CA C 120 61.050 60.179 0.871 1
1 1017 . 12 1 1 A 93 93 ILE CB C 120 39.030 38.467 0.563 1
1 1021 . 12 1 1 A 93 93 ILE N N 120 125.690 129.044 -3.354 1
1 1022 . 12 1 1 A 94 94 GLY H H 121 8.190 8.016 0.174 1
1 1023 . 12 1 1 A 94 94 GLY HA2 H 121 4.050 3.970 0.080 1
1 1024 . 12 1 1 A 94 94 GLY HA3 H 121 3.940 3.974 -0.034 1
1 1025 . 12 1 1 A 94 94 GLY C C 121 169.080 175.106 -6.026 1
1 1026 . 12 1 1 A 94 94 GLY CA C 121 44.850 46.959 -2.109 1
1 1027 . 12 1 1 A 94 94 GLY N N 121 113.150 110.821 2.329 1
1 1028 . 12 1 1 A 95 95 PRO HA H 122 4.270 4.738 -0.468 1
1 1032 . 12 1 1 A 95 95 PRO CA C 122 63.340 62.907 0.433 1
1 1033 . 12 1 1 A 95 95 PRO CB C 122 32.160 33.033 -0.873 1
1 1036 . 12 1 1 A 96 96 PHE H H 123 8.140 8.316 -0.176 1
1 1037 . 12 1 1 A 96 96 PHE HA H 123 4.510 5.296 -0.786 1
1 1040 . 12 1 1 A 96 96 PHE C C 123 172.700 173.721 -1.021 1
1 1041 . 12 1 1 A 96 96 PHE CA C 123 58.040 55.970 2.070 1
1 1042 . 12 1 1 A 96 96 PHE CB C 123 39.710 42.025 -2.315 1
1 1043 . 12 1 1 A 96 96 PHE N N 123 119.410 117.827 1.583 1
1 1044 . 12 1 1 A 97 97 PHE H H 124 8.000 9.087 -1.087 1
1 1045 . 12 1 1 A 97 97 PHE HA H 124 4.490 4.953 -0.463 1
1 1048 . 12 1 1 A 97 97 PHE C C 124 172.140 174.248 -2.108 1
1 1049 . 12 1 1 A 97 97 PHE CA C 124 58.000 56.881 1.119 1
1 1050 . 12 1 1 A 97 97 PHE CB C 124 40.140 39.089 1.051 1
1 1051 . 12 1 1 A 97 97 PHE N N 124 122.180 117.968 4.212 1
1 1052 . 12 1 1 A 98 98 ASP H H 125 8.100 8.228 -0.128 1
1 1053 . 12 1 1 A 98 98 ASP HA H 125 4.400 4.798 -0.398 1
1 1056 . 12 1 1 A 98 98 ASP C C 125 173.870 176.321 -2.451 1
1 1057 . 12 1 1 A 98 98 ASP CA C 125 54.470 54.475 -0.005 1
1 1058 . 12 1 1 A 98 98 ASP CB C 125 41.390 41.858 -0.468 1
1 1059 . 12 1 1 A 98 98 ASP N N 125 123.000 122.089 0.911 1
1 1060 . 12 1 1 A 99 99 GLY H H 126 8.010 8.805 -0.795 1
1 1061 . 12 1 1 A 99 99 GLY HA3 H 126 3.860 3.989 -0.129 1
1 1062 . 12 1 1 A 99 99 GLY C C 126 171.640 172.318 -0.678 1
1 1063 . 12 1 1 A 99 99 GLY CA C 126 45.860 44.938 0.922 1
1 1064 . 12 1 1 A 99 99 GLY N N 126 109.280 115.654 -6.374 1
1 1065 . 12 1 1 A 100 100 SER H H 127 8.110 8.282 -0.172 1
1 1066 . 12 1 1 A 100 100 SER HA H 127 4.320 5.170 -0.850 1
1 1069 . 12 1 1 A 100 100 SER C C 127 171.520 173.121 -1.601 1
1 1070 . 12 1 1 A 100 100 SER CA C 127 59.190 57.459 1.731 1
1 1071 . 12 1 1 A 100 100 SER CB C 127 64.240 65.500 -1.260 1
1 1072 . 12 1 1 A 100 100 SER N N 127 115.760 114.261 1.499 1
1 1073 . 12 1 1 A 101 101 ILE H H 128 7.960 8.567 -0.607 1
1 1074 . 12 1 1 A 101 101 ILE HA H 128 4.110 4.762 -0.652 1
1 1084 . 12 1 1 A 101 101 ILE C C 128 172.590 175.435 -2.845 1
1 1085 . 12 1 1 A 101 101 ILE CA C 128 61.800 60.079 1.721 1
1 1086 . 12 1 1 A 101 101 ILE CB C 128 38.820 39.461 -0.641 1
1 1090 . 12 1 1 A 101 101 ILE N N 128 122.050 125.456 -3.406 1
1 1 . 13 1 1 A 2 2 PRO HA H 29 4.310 4.536 -0.226 1
1 8 . 13 1 1 A 2 2 PRO CA C 29 64.380 63.192 1.188 1
1 9 . 13 1 1 A 2 2 PRO CB C 29 32.300 31.659 0.641 1
1 12 . 13 1 1 A 3 3 GLU H H 30 9.010 8.742 0.268 1
1 13 . 13 1 1 A 3 3 GLU HA H 30 4.170 4.291 -0.121 1
1 18 . 13 1 1 A 3 3 GLU C C 30 173.730 175.589 -1.859 1
1 19 . 13 1 1 A 3 3 GLU CA C 30 57.560 55.875 1.685 1
1 20 . 13 1 1 A 3 3 GLU CB C 30 29.400 29.082 0.318 1
1 22 . 13 1 1 A 3 3 GLU N N 30 118.790 122.218 -3.428 1
1 23 . 13 1 1 A 4 4 ASP H H 31 7.940 7.597 0.343 1
1 24 . 13 1 1 A 4 4 ASP HA H 31 4.560 4.755 -0.195 1
1 27 . 13 1 1 A 4 4 ASP C C 31 173.600 174.209 -0.609 1
1 28 . 13 1 1 A 4 4 ASP CA C 31 54.940 53.601 1.339 1
1 29 . 13 1 1 A 4 4 ASP CB C 31 41.650 38.981 2.669 1
1 30 . 13 1 1 A 4 4 ASP N N 31 119.920 121.839 -1.919 1
1 31 . 13 1 1 A 5 5 THR H H 32 7.810 8.205 -0.395 1
1 32 . 13 1 1 A 5 5 THR HA H 32 4.160 4.741 -0.581 1
1 37 . 13 1 1 A 5 5 THR C C 32 171.630 173.428 -1.798 1
1 38 . 13 1 1 A 5 5 THR CA C 32 62.410 61.525 0.885 1
1 39 . 13 1 1 A 5 5 THR CB C 32 70.040 71.770 -1.730 1
1 41 . 13 1 1 A 5 5 THR N N 32 113.570 119.531 -5.961 1
1 42 . 13 1 1 A 6 6 LEU H H 33 8.100 8.916 -0.816 1
1 43 . 13 1 1 A 6 6 LEU HA H 33 4.490 4.700 -0.210 1
1 53 . 13 1 1 A 6 6 LEU C C 33 172.440 174.938 -2.498 1
1 54 . 13 1 1 A 6 6 LEU CA C 33 53.430 53.266 0.164 1
1 55 . 13 1 1 A 6 6 LEU CB C 33 41.900 41.573 0.327 1
1 59 . 13 1 1 A 6 6 LEU N N 33 125.790 128.659 -2.869 1
1 60 . 13 1 1 A 7 7 PRO HA H 34 4.130 4.689 -0.559 1
1 67 . 13 1 1 A 7 7 PRO CA C 34 63.660 62.964 0.696 1
1 68 . 13 1 1 A 7 7 PRO CB C 34 31.970 32.517 -0.547 1
1 71 . 13 1 1 A 8 8 PHE H H 35 7.610 8.702 -1.092 1
1 72 . 13 1 1 A 8 8 PHE HA H 35 4.580 4.850 -0.270 1
1 77 . 13 1 1 A 8 8 PHE C C 35 171.110 174.672 -3.562 1
1 78 . 13 1 1 A 8 8 PHE CA C 35 57.690 56.172 1.518 1
1 79 . 13 1 1 A 8 8 PHE CB C 35 40.850 38.805 2.045 1
1 80 . 13 1 1 A 8 8 PHE N N 35 117.670 116.915 0.755 1
1 81 . 13 1 1 A 9 9 LEU H H 36 8.310 7.480 0.830 1
1 82 . 13 1 1 A 9 9 LEU HA H 36 4.420 4.597 -0.177 1
1 92 . 13 1 1 A 9 9 LEU C C 36 171.050 174.079 -3.029 1
1 93 . 13 1 1 A 9 9 LEU CA C 36 54.770 54.465 0.305 1
1 94 . 13 1 1 A 9 9 LEU CB C 36 44.230 43.735 0.495 1
1 98 . 13 1 1 A 9 9 LEU N N 36 125.150 121.357 3.793 1
1 99 . 13 1 1 A 10 10 LYS H H 37 8.130 9.232 -1.102 1
1 100 . 13 1 1 A 10 10 LYS HA H 37 5.110 5.097 0.013 1
1 109 . 13 1 1 A 10 10 LYS C C 37 172.470 175.292 -2.822 1
1 110 . 13 1 1 A 10 10 LYS CA C 37 54.730 55.114 -0.384 1
1 111 . 13 1 1 A 10 10 LYS CB C 37 35.010 34.225 0.785 1
1 115 . 13 1 1 A 10 10 LYS N N 37 123.550 127.627 -4.077 1
1 116 . 13 1 1 A 11 11 CYS H H 38 9.240 8.763 0.477 1
1 117 . 13 1 1 A 11 11 CYS HA H 38 4.890 5.420 -0.530 1
1 120 . 13 1 1 A 11 11 CYS C C 38 171.750 172.036 -0.286 1
1 121 . 13 1 1 A 11 11 CYS CA C 38 51.950 54.526 -2.576 1
1 122 . 13 1 1 A 11 11 CYS CB C 38 41.360 45.728 -4.368 1
1 123 . 13 1 1 A 11 11 CYS N N 38 121.580 123.932 -2.352 1
1 124 . 13 1 1 A 12 12 TYR H H 39 8.830 8.870 -0.040 1
1 125 . 13 1 1 A 12 12 TYR HA H 39 4.780 4.704 0.076 1
1 132 . 13 1 1 A 12 12 TYR C C 39 172.260 174.856 -2.596 1
1 133 . 13 1 1 A 12 12 TYR CA C 39 58.500 58.998 -0.498 1
1 134 . 13 1 1 A 12 12 TYR CB C 39 40.900 39.317 1.583 1
1 135 . 13 1 1 A 12 12 TYR N N 39 122.390 125.520 -3.130 1
1 136 . 13 1 1 A 13 13 CYS H H 40 7.690 7.883 -0.193 1
1 137 . 13 1 1 A 13 13 CYS HA H 40 4.420 5.692 -1.272 1
1 140 . 13 1 1 A 13 13 CYS CA C 40 53.850 53.913 -0.063 1
1 141 . 13 1 1 A 13 13 CYS CB C 40 48.920 45.267 3.653 1
1 142 . 13 1 1 A 14 14 SER H H 41 7.850 8.535 -0.685 1
1 143 . 13 1 1 A 14 14 SER HA H 41 4.160 5.002 -0.842 1
1 146 . 13 1 1 A 14 14 SER CA C 41 58.450 57.293 1.157 1
1 147 . 13 1 1 A 14 14 SER CB C 41 63.840 66.452 -2.612 1
1 148 . 13 1 1 A 14 14 SER N N 41 117.020 118.860 -1.840 1
1 149 . 13 1 1 A 16 16 HIS HA H 43 4.880 4.800 0.080 1
1 152 . 13 1 1 A 16 16 HIS CA C 43 54.770 54.388 0.382 1
1 153 . 13 1 1 A 16 16 HIS CB C 43 29.490 31.544 -2.054 1
1 154 . 13 1 1 A 17 17 CYS H H 44 8.560 8.391 0.169 1
1 155 . 13 1 1 A 18 18 PRO HA H 45 4.660 4.443 0.217 1
1 160 . 13 1 1 A 18 18 PRO CA C 45 62.500 62.721 -0.221 1
1 161 . 13 1 1 A 18 18 PRO CB C 45 33.140 32.752 0.388 1
1 164 . 13 1 1 A 19 19 ASP H H 46 8.800 8.917 -0.117 1
1 165 . 13 1 1 A 19 19 ASP HA H 46 4.250 4.327 -0.077 1
1 168 . 13 1 1 A 19 19 ASP C C 46 173.430 176.585 -3.155 1
1 169 . 13 1 1 A 19 19 ASP CA C 46 57.190 56.844 0.346 1
1 170 . 13 1 1 A 19 19 ASP CB C 46 40.720 40.507 0.213 1
1 171 . 13 1 1 A 19 19 ASP N N 46 120.170 123.915 -3.745 1
1 172 . 13 1 1 A 20 20 ASP H H 47 8.050 8.239 -0.189 1
1 173 . 13 1 1 A 20 20 ASP HA H 47 4.510 4.628 -0.118 1
1 176 . 13 1 1 A 20 20 ASP C C 47 173.500 175.983 -2.483 1
1 177 . 13 1 1 A 20 20 ASP CA C 47 52.840 53.061 -0.221 1
1 178 . 13 1 1 A 20 20 ASP CB C 47 39.980 39.728 0.252 1
1 179 . 13 1 1 A 20 20 ASP N N 47 114.670 115.164 -0.494 1
1 180 . 13 1 1 A 21 21 ALA H H 48 7.350 7.266 0.084 1
1 181 . 13 1 1 A 21 21 ALA HA H 48 4.280 4.251 0.029 1
1 185 . 13 1 1 A 21 21 ALA C C 48 174.490 176.423 -1.933 1
1 186 . 13 1 1 A 21 21 ALA CA C 48 53.430 52.312 1.118 1
1 187 . 13 1 1 A 21 21 ALA CB C 48 20.870 20.032 0.838 1
1 188 . 13 1 1 A 21 21 ALA N N 48 122.660 122.572 0.088 1
1 189 . 13 1 1 A 22 22 ILE H H 49 7.960 8.118 -0.158 1
1 190 . 13 1 1 A 22 22 ILE HA H 49 4.240 4.569 -0.329 1
1 199 . 13 1 1 A 22 22 ILE C C 49 173.300 176.242 -2.942 1
1 200 . 13 1 1 A 22 22 ILE CA C 49 60.230 59.454 0.776 1
1 201 . 13 1 1 A 22 22 ILE CB C 49 40.280 40.250 0.030 1
1 205 . 13 1 1 A 22 22 ILE N N 49 119.550 119.779 -0.229 1
1 206 . 13 1 1 A 23 23 ASN H H 50 9.280 9.092 0.188 1
1 207 . 13 1 1 A 23 23 ASN HA H 50 4.290 4.462 -0.172 1
1 212 . 13 1 1 A 23 23 ASN CA C 50 54.660 53.876 0.784 1
1 213 . 13 1 1 A 23 23 ASN CB C 50 37.620 36.175 1.445 1
1 214 . 13 1 1 A 23 23 ASN N N 50 125.470 125.087 0.383 1
1 216 . 13 1 1 A 24 24 ASN H H 51 8.850 8.459 0.391 1
1 217 . 13 1 1 A 24 24 ASN HA H 51 4.070 4.009 0.061 1
1 222 . 13 1 1 A 24 24 ASN C C 51 170.660 173.650 -2.990 1
1 223 . 13 1 1 A 24 24 ASN CA C 51 56.080 54.319 1.761 1
1 224 . 13 1 1 A 24 24 ASN CB C 51 37.430 36.733 0.697 1
1 226 . 13 1 1 A 25 25 THR H H 52 7.190 7.473 -0.283 1
1 227 . 13 1 1 A 25 25 THR HA H 52 5.370 5.029 0.341 1
1 232 . 13 1 1 A 25 25 THR C C 52 169.910 172.419 -2.509 1
1 233 . 13 1 1 A 25 25 THR CA C 52 59.890 59.296 0.594 1
1 234 . 13 1 1 A 25 25 THR CB C 52 73.940 72.451 1.489 1
1 236 . 13 1 1 A 25 25 THR N N 52 105.820 106.062 -0.242 1
1 237 . 13 1 1 A 26 26 CYS H H 53 8.960 9.158 -0.198 1
1 238 . 13 1 1 A 26 26 CYS HA H 53 5.000 5.450 -0.450 1
1 241 . 13 1 1 A 26 26 CYS C C 53 168.780 171.702 -2.922 1
1 242 . 13 1 1 A 26 26 CYS CA C 53 52.560 53.547 -0.987 1
1 243 . 13 1 1 A 26 26 CYS CB C 53 48.650 46.503 2.147 1
1 244 . 13 1 1 A 26 26 CYS N N 53 116.070 119.351 -3.281 1
1 245 . 13 1 1 A 27 27 ILE H H 54 8.530 8.514 0.016 1
1 246 . 13 1 1 A 27 27 ILE HA H 54 5.210 5.151 0.059 1
1 256 . 13 1 1 A 27 27 ILE C C 54 173.400 174.550 -1.150 1
1 257 . 13 1 1 A 27 27 ILE CA C 54 59.200 60.543 -1.343 1
1 258 . 13 1 1 A 27 27 ILE CB C 54 40.220 40.502 -0.282 1
1 262 . 13 1 1 A 27 27 ILE N N 54 120.170 121.263 -1.093 1
1 263 . 13 1 1 A 28 28 THR H H 55 9.200 8.730 0.470 1
1 264 . 13 1 1 A 28 28 THR HA H 55 4.800 5.266 -0.466 1
1 269 . 13 1 1 A 28 28 THR C C 55 168.370 172.423 -4.053 1
1 270 . 13 1 1 A 28 28 THR CA C 55 60.060 59.713 0.347 1
1 271 . 13 1 1 A 28 28 THR CB C 55 70.490 71.218 -0.728 1
1 273 . 13 1 1 A 28 28 THR N N 55 120.750 120.371 0.379 1
1 274 . 13 1 1 A 29 29 ASN H H 56 8.000 8.453 -0.453 1
1 275 . 13 1 1 A 29 29 ASN HA H 56 4.920 5.037 -0.117 1
1 280 . 13 1 1 A 29 29 ASN C C 56 172.880 175.650 -2.770 1
1 281 . 13 1 1 A 29 29 ASN CA C 56 52.620 51.569 1.051 1
1 282 . 13 1 1 A 29 29 ASN CB C 56 38.920 38.169 0.751 1
1 283 . 13 1 1 A 29 29 ASN N N 56 120.880 123.458 -2.578 1
1 285 . 13 1 1 A 30 30 GLY H H 57 8.510 7.875 0.635 1
1 286 . 13 1 1 A 30 30 GLY HA2 H 57 4.140 4.038 0.102 1
1 287 . 13 1 1 A 30 30 GLY HA3 H 57 3.960 4.105 -0.145 1
1 288 . 13 1 1 A 30 30 GLY C C 57 169.020 172.947 -3.927 1
1 289 . 13 1 1 A 30 30 GLY CA C 57 45.800 44.967 0.833 1
1 290 . 13 1 1 A 30 30 GLY N N 57 111.380 109.777 1.603 1
1 291 . 13 1 1 A 31 31 HIS H H 58 8.560 7.778 0.782 1
1 292 . 13 1 1 A 31 31 HIS HA H 58 4.710 5.319 -0.609 1
1 295 . 13 1 1 A 31 31 HIS C C 58 171.200 174.162 -2.962 1
1 296 . 13 1 1 A 31 31 HIS CA C 58 56.140 54.596 1.544 1
1 297 . 13 1 1 A 31 31 HIS CB C 58 34.650 33.607 1.043 1
1 298 . 13 1 1 A 31 31 HIS N N 58 120.870 116.647 4.223 1
1 299 . 13 1 1 A 32 32 CYS H H 59 8.710 8.578 0.132 1
1 300 . 13 1 1 A 32 32 CYS HA H 59 5.700 5.252 0.448 1
1 303 . 13 1 1 A 32 32 CYS C C 59 173.470 173.460 0.010 1
1 304 . 13 1 1 A 32 32 CYS CA C 59 52.340 54.988 -2.648 1
1 305 . 13 1 1 A 32 32 CYS CB C 59 36.950 44.336 -7.386 1
1 306 . 13 1 1 A 32 32 CYS N N 59 117.290 119.888 -2.598 1
1 307 . 13 1 1 A 33 33 PHE H H 60 8.700 8.464 0.236 1
1 308 . 13 1 1 A 33 33 PHE HA H 60 6.110 5.744 0.366 1
1 316 . 13 1 1 A 33 33 PHE C C 60 172.200 172.902 -0.702 1
1 317 . 13 1 1 A 33 33 PHE CA C 60 56.630 55.434 1.196 1
1 318 . 13 1 1 A 33 33 PHE CB C 60 44.830 41.753 3.077 1
1 319 . 13 1 1 A 33 33 PHE N N 60 116.070 120.085 -4.015 1
1 320 . 13 1 1 A 34 34 ALA H H 61 9.200 8.572 0.628 1
1 321 . 13 1 1 A 34 34 ALA HA H 61 5.000 4.949 0.051 1
1 325 . 13 1 1 A 34 34 ALA C C 61 171.610 175.693 -4.083 1
1 326 . 13 1 1 A 34 34 ALA CA C 61 52.320 51.508 0.812 1
1 327 . 13 1 1 A 34 34 ALA CB C 61 23.950 23.376 0.574 1
1 328 . 13 1 1 A 34 34 ALA N N 61 125.170 121.152 4.018 1
1 329 . 13 1 1 A 35 35 ILE H H 62 9.470 8.671 0.799 1
1 330 . 13 1 1 A 35 35 ILE HA H 62 5.350 4.926 0.424 1
1 340 . 13 1 1 A 35 35 ILE C C 62 170.850 173.307 -2.457 1
1 341 . 13 1 1 A 35 35 ILE CA C 62 59.260 59.451 -0.191 1
1 342 . 13 1 1 A 35 35 ILE CB C 62 43.660 42.358 1.302 1
1 346 . 13 1 1 A 35 35 ILE N N 62 120.630 119.489 1.141 1
1 347 . 13 1 1 A 36 36 ILE H H 63 8.500 8.745 -0.245 1
1 348 . 13 1 1 A 36 36 ILE HA H 63 5.240 5.187 0.053 1
1 358 . 13 1 1 A 36 36 ILE C C 63 170.510 173.050 -2.540 1
1 359 . 13 1 1 A 36 36 ILE CA C 63 59.130 59.241 -0.111 1
1 360 . 13 1 1 A 36 36 ILE CB C 63 41.670 42.482 -0.812 1
1 364 . 13 1 1 A 36 36 ILE N N 63 125.830 126.132 -0.302 1
1 365 . 13 1 1 A 37 37 GLU H H 64 8.450 8.755 -0.305 1
1 366 . 13 1 1 A 37 37 GLU HA H 64 5.010 4.904 0.106 1
1 371 . 13 1 1 A 37 37 GLU C C 64 171.410 174.475 -3.065 1
1 372 . 13 1 1 A 37 37 GLU CA C 64 54.830 55.155 -0.325 1
1 373 . 13 1 1 A 37 37 GLU CB C 64 34.320 33.986 0.334 1
1 375 . 13 1 1 A 37 37 GLU N N 64 124.570 127.027 -2.457 1
1 376 . 13 1 1 A 38 38 GLU H H 65 8.300 8.489 -0.189 1
1 377 . 13 1 1 A 38 38 GLU HA H 65 5.040 4.977 0.063 1
1 382 . 13 1 1 A 38 38 GLU C C 65 172.920 175.924 -3.004 1
1 383 . 13 1 1 A 38 38 GLU CA C 65 54.760 55.076 -0.316 1
1 384 . 13 1 1 A 38 38 GLU CB C 65 33.470 31.560 1.910 1
1 386 . 13 1 1 A 38 38 GLU N N 65 123.960 124.114 -0.154 1
1 387 . 13 1 1 A 39 39 ASP H H 66 8.470 8.268 0.202 1
1 388 . 13 1 1 A 39 39 ASP HA H 66 4.750 4.888 -0.138 1
1 391 . 13 1 1 A 39 39 ASP C C 66 174.940 177.126 -2.186 1
1 392 . 13 1 1 A 39 39 ASP CA C 66 52.890 52.541 0.349 1
1 393 . 13 1 1 A 39 39 ASP CB C 66 41.990 41.416 0.574 1
1 394 . 13 1 1 A 39 39 ASP N N 66 124.870 126.973 -2.103 1
1 395 . 13 1 1 A 40 40 ASP H H 67 8.380 8.748 -0.368 1
1 396 . 13 1 1 A 40 40 ASP HA H 67 4.310 4.259 0.051 1
1 399 . 13 1 1 A 40 40 ASP C C 67 174.210 177.361 -3.151 1
1 400 . 13 1 1 A 40 40 ASP CA C 67 56.350 56.645 -0.295 1
1 401 . 13 1 1 A 40 40 ASP CB C 67 40.510 40.435 0.075 1
1 402 . 13 1 1 A 40 40 ASP N N 67 116.220 118.584 -2.364 1
1 403 . 13 1 1 A 41 41 GLN H H 68 8.200 7.793 0.407 1
1 404 . 13 1 1 A 41 41 GLN HA H 68 4.380 4.367 0.013 1
1 411 . 13 1 1 A 41 41 GLN C C 68 173.740 176.422 -2.682 1
1 412 . 13 1 1 A 41 41 GLN CA C 68 55.590 55.610 -0.020 1
1 413 . 13 1 1 A 41 41 GLN CB C 68 29.780 29.455 0.325 1
1 415 . 13 1 1 A 41 41 GLN N N 68 117.190 116.679 0.511 1
1 417 . 13 1 1 A 42 42 GLY H H 69 8.000 8.207 -0.207 1
1 418 . 13 1 1 A 42 42 GLY HA2 H 69 3.630 3.904 -0.274 1
1 419 . 13 1 1 A 42 42 GLY HA3 H 69 4.140 3.904 0.236 1
1 420 . 13 1 1 A 42 42 GLY C C 69 171.650 174.283 -2.633 1
1 421 . 13 1 1 A 42 42 GLY CA C 69 45.730 45.705 0.025 1
1 422 . 13 1 1 A 42 42 GLY N N 69 108.130 108.547 -0.417 1
1 423 . 13 1 1 A 43 43 GLU H H 70 8.410 7.559 0.851 1
1 424 . 13 1 1 A 43 43 GLU HA H 70 4.450 4.590 -0.140 1
1 429 . 13 1 1 A 43 43 GLU C C 70 173.970 176.498 -2.528 1
1 430 . 13 1 1 A 43 43 GLU CA C 70 56.020 55.279 0.741 1
1 431 . 13 1 1 A 43 43 GLU CB C 70 30.300 31.121 -0.821 1
1 433 . 13 1 1 A 43 43 GLU N N 70 122.300 119.706 2.594 1
1 434 . 13 1 1 A 44 44 THR H H 71 8.620 8.483 0.137 1
1 435 . 13 1 1 A 44 44 THR HA H 71 5.210 5.194 0.016 1
1 440 . 13 1 1 A 44 44 THR C C 71 172.160 173.956 -1.796 1
1 441 . 13 1 1 A 44 44 THR CA C 71 61.600 60.793 0.807 1
1 442 . 13 1 1 A 44 44 THR CB C 71 71.000 70.114 0.886 1
1 444 . 13 1 1 A 44 44 THR N N 71 117.330 113.884 3.446 1
1 445 . 13 1 1 A 45 45 THR H H 72 8.760 8.649 0.111 1
1 446 . 13 1 1 A 45 45 THR HA H 72 4.500 5.067 -0.567 1
1 451 . 13 1 1 A 45 45 THR C C 72 169.600 173.584 -3.984 1
1 452 . 13 1 1 A 45 45 THR CA C 72 61.270 60.552 0.718 1
1 453 . 13 1 1 A 45 45 THR CB C 72 72.320 70.021 2.299 1
1 455 . 13 1 1 A 45 45 THR N N 72 117.840 117.656 0.184 1
1 456 . 13 1 1 A 46 46 LEU H H 73 8.400 9.183 -0.783 1
1 457 . 13 1 1 A 46 46 LEU HA H 73 5.250 5.092 0.158 1
1 464 . 13 1 1 A 46 46 LEU C C 73 173.150 175.568 -2.418 1
1 465 . 13 1 1 A 46 46 LEU CA C 73 54.300 53.730 0.570 1
1 466 . 13 1 1 A 46 46 LEU CB C 73 44.860 43.094 1.766 1
1 470 . 13 1 1 A 46 46 LEU N N 73 126.020 127.630 -1.610 1
1 471 . 13 1 1 A 47 47 ALA HA H 74 4.760 5.448 -0.688 1
1 475 . 13 1 1 A 47 47 ALA C C 74 172.740 175.463 -2.723 1
1 476 . 13 1 1 A 47 47 ALA CA C 74 51.440 50.917 0.523 1
1 477 . 13 1 1 A 47 47 ALA CB C 74 23.350 23.706 -0.356 1
1 478 . 13 1 1 A 48 48 SER H H 75 8.700 8.213 0.487 1
1 479 . 13 1 1 A 48 48 SER HA H 75 4.500 4.783 -0.283 1
1 482 . 13 1 1 A 48 48 SER C C 75 171.590 173.062 -1.472 1
1 483 . 13 1 1 A 48 48 SER CA C 75 57.740 56.433 1.307 1
1 484 . 13 1 1 A 48 48 SER CB C 75 65.700 66.219 -0.519 1
1 485 . 13 1 1 A 48 48 SER N N 75 111.400 113.679 -2.279 1
1 486 . 13 1 1 A 49 49 GLY H H 76 6.440 7.163 -0.723 1
1 487 . 13 1 1 A 49 49 GLY HA2 H 76 3.850 3.792 0.058 1
1 488 . 13 1 1 A 49 49 GLY HA3 H 76 3.730 3.837 -0.107 1
1 489 . 13 1 1 A 49 49 GLY C C 76 167.890 171.040 -3.150 1
1 490 . 13 1 1 A 49 49 GLY CA C 76 47.420 45.595 1.825 1
1 491 . 13 1 1 A 49 49 GLY N N 76 105.480 105.707 -0.227 1
1 492 . 13 1 1 A 50 50 CYS H H 77 8.740 8.291 0.449 1
1 493 . 13 1 1 A 50 50 CYS HA H 77 4.950 5.344 -0.394 1
1 496 . 13 1 1 A 50 50 CYS C C 77 170.670 172.517 -1.847 1
1 497 . 13 1 1 A 50 50 CYS CA C 77 60.030 54.842 5.188 1
1 498 . 13 1 1 A 50 50 CYS CB C 77 46.100 43.689 2.411 1
1 499 . 13 1 1 A 50 50 CYS N N 77 118.960 118.845 0.115 1
1 500 . 13 1 1 A 51 51 MET H H 78 9.240 9.126 0.114 1
1 501 . 13 1 1 A 51 51 MET HA H 78 4.760 5.120 -0.360 1
1 509 . 13 1 1 A 51 51 MET C C 78 171.990 176.023 -4.033 1
1 510 . 13 1 1 A 51 51 MET CA C 78 54.630 54.228 0.402 1
1 511 . 13 1 1 A 51 51 MET CB C 78 35.810 35.160 0.650 1
1 514 . 13 1 1 A 51 51 MET N N 78 122.340 125.953 -3.613 1
1 515 . 13 1 1 A 52 52 LYS H H 79 8.430 8.509 -0.079 1
1 516 . 13 1 1 A 52 52 LYS HA H 79 4.160 4.317 -0.157 1
1 525 . 13 1 1 A 52 52 LYS C C 79 173.040 175.954 -2.914 1
1 526 . 13 1 1 A 52 52 LYS CA C 79 57.120 56.032 1.088 1
1 527 . 13 1 1 A 52 52 LYS CB C 79 33.720 32.731 0.989 1
1 531 . 13 1 1 A 52 52 LYS N N 79 125.030 123.893 1.137 1
1 532 . 13 1 1 A 53 53 TYR H H 80 8.400 8.790 -0.390 1
1 533 . 13 1 1 A 53 53 TYR HA H 80 4.200 4.538 -0.338 1
1 536 . 13 1 1 A 53 53 TYR C C 80 173.370 175.311 -1.941 1
1 537 . 13 1 1 A 53 53 TYR CA C 80 59.910 59.547 0.363 1
1 538 . 13 1 1 A 53 53 TYR CB C 80 39.000 39.210 -0.210 1
1 539 . 13 1 1 A 53 53 TYR N N 80 121.420 120.905 0.515 1
1 540 . 13 1 1 A 54 54 GLU H H 81 8.490 8.641 -0.151 1
1 541 . 13 1 1 A 54 54 GLU HA H 81 4.170 4.607 -0.437 1
1 545 . 13 1 1 A 54 54 GLU C C 81 173.240 176.640 -3.400 1
1 546 . 13 1 1 A 54 54 GLU CA C 81 56.440 56.635 -0.195 1
1 547 . 13 1 1 A 54 54 GLU CB C 81 30.860 32.500 -1.640 1
1 549 . 13 1 1 A 54 54 GLU N N 81 123.790 124.676 -0.886 1
1 550 . 13 1 1 A 55 55 GLY H H 82 7.200 7.523 -0.323 1
1 551 . 13 1 1 A 55 55 GLY HA2 H 82 4.050 3.779 0.271 1
1 552 . 13 1 1 A 55 55 GLY HA3 H 82 3.690 3.888 -0.198 1
1 553 . 13 1 1 A 55 55 GLY C C 82 171.520 174.677 -3.157 1
1 554 . 13 1 1 A 55 55 GLY CA C 82 45.680 45.215 0.465 1
1 555 . 13 1 1 A 55 55 GLY N N 82 108.400 106.957 1.443 1
1 556 . 13 1 1 A 56 56 SER H H 83 8.140 7.872 0.268 1
1 557 . 13 1 1 A 56 56 SER HA H 83 4.280 4.215 0.065 1
1 560 . 13 1 1 A 56 56 SER C C 83 171.900 173.523 -1.623 1
1 561 . 13 1 1 A 56 56 SER CA C 83 59.270 59.279 -0.009 1
1 562 . 13 1 1 A 56 56 SER CB C 83 63.960 63.333 0.627 1
1 563 . 13 1 1 A 56 56 SER N N 83 114.650 116.395 -1.745 1
1 564 . 13 1 1 A 57 57 ASP H H 84 8.340 8.578 -0.238 1
1 565 . 13 1 1 A 57 57 ASP HA H 84 4.430 4.740 -0.310 1
1 568 . 13 1 1 A 57 57 ASP C C 84 173.100 177.009 -3.909 1
1 569 . 13 1 1 A 57 57 ASP CA C 84 54.950 56.718 -1.768 1
1 570 . 13 1 1 A 57 57 ASP CB C 84 40.840 42.535 -1.695 1
1 571 . 13 1 1 A 57 57 ASP N N 84 121.230 126.690 -5.460 1
1 572 . 13 1 1 A 58 58 PHE H H 85 7.730 7.264 0.466 1
1 573 . 13 1 1 A 58 58 PHE HA H 85 4.260 4.583 -0.323 1
1 581 . 13 1 1 A 58 58 PHE C C 85 172.590 175.026 -2.436 1
1 582 . 13 1 1 A 58 58 PHE CA C 85 58.520 56.476 2.044 1
1 583 . 13 1 1 A 58 58 PHE CB C 85 39.840 39.296 0.544 1
1 584 . 13 1 1 A 58 58 PHE N N 85 118.920 111.437 7.483 1
1 585 . 13 1 1 A 59 59 GLN H H 86 7.790 7.584 0.206 1
1 586 . 13 1 1 A 59 59 GLN HA H 86 4.070 4.255 -0.185 1
1 593 . 13 1 1 A 59 59 GLN C C 86 172.550 175.658 -3.108 1
1 594 . 13 1 1 A 59 59 GLN CA C 86 56.000 55.192 0.808 1
1 595 . 13 1 1 A 59 59 GLN CB C 86 30.600 26.404 4.196 1
1 597 . 13 1 1 A 59 59 GLN N N 86 120.280 120.251 0.029 1
1 599 . 13 1 1 A 60 60 CYS H H 87 8.100 8.522 -0.422 1
1 600 . 13 1 1 A 60 60 CYS HA H 87 4.140 4.897 -0.757 1
1 603 . 13 1 1 A 60 60 CYS C C 87 170.910 173.243 -2.333 1
1 604 . 13 1 1 A 60 60 CYS CA C 87 56.810 55.453 1.357 1
1 605 . 13 1 1 A 60 60 CYS CB C 87 40.780 42.916 -2.136 1
1 606 . 13 1 1 A 60 60 CYS N N 87 118.790 122.287 -3.497 1
1 607 . 13 1 1 A 61 61 LYS H H 88 7.610 7.618 -0.008 1
1 608 . 13 1 1 A 61 61 LYS HA H 88 4.280 4.485 -0.205 1
1 617 . 13 1 1 A 61 61 LYS C C 88 172.330 175.459 -3.129 1
1 618 . 13 1 1 A 61 61 LYS CA C 88 56.210 55.514 0.696 1
1 619 . 13 1 1 A 61 61 LYS CB C 88 34.210 33.761 0.449 1
1 623 . 13 1 1 A 61 61 LYS N N 88 120.330 119.539 0.791 1
1 624 . 13 1 1 A 62 62 ASP H H 89 8.180 8.827 -0.647 1
1 625 . 13 1 1 A 62 62 ASP HA H 89 4.500 5.262 -0.762 1
1 628 . 13 1 1 A 62 62 ASP C C 89 172.970 175.471 -2.501 1
1 629 . 13 1 1 A 62 62 ASP CA C 89 54.200 52.803 1.397 1
1 630 . 13 1 1 A 62 62 ASP CB C 89 42.090 43.968 -1.878 1
1 631 . 13 1 1 A 62 62 ASP N N 89 121.190 120.797 0.393 1
1 632 . 13 1 1 A 63 63 SER H H 90 8.190 8.640 -0.450 1
1 633 . 13 1 1 A 63 63 SER HA H 90 4.640 4.744 -0.104 1
1 636 . 13 1 1 A 63 63 SER C C 90 170.240 174.578 -4.338 1
1 637 . 13 1 1 A 63 63 SER CA C 90 56.600 55.525 1.075 1
1 638 . 13 1 1 A 63 63 SER CB C 90 63.770 63.261 0.509 1
1 639 . 13 1 1 A 63 63 SER N N 90 116.710 119.047 -2.337 1
1 640 . 13 1 1 A 64 64 PRO HA H 91 4.350 4.648 -0.298 1
1 647 . 13 1 1 A 64 64 PRO CA C 91 63.800 62.551 1.249 1
1 648 . 13 1 1 A 64 64 PRO CB C 91 32.410 29.210 3.200 1
1 651 . 13 1 1 A 65 65 LYS H H 92 8.240 8.007 0.233 1
1 652 . 13 1 1 A 65 65 LYS HA H 92 4.210 4.569 -0.359 1
1 661 . 13 1 1 A 65 65 LYS C C 92 173.330 174.375 -1.045 1
1 662 . 13 1 1 A 65 65 LYS CA C 92 56.410 55.522 0.888 1
1 663 . 13 1 1 A 65 65 LYS CB C 92 33.230 32.988 0.242 1
1 667 . 13 1 1 A 65 65 LYS N N 92 120.180 122.364 -2.184 1
1 668 . 13 1 1 A 66 66 ALA H H 93 8.040 7.597 0.443 1
1 669 . 13 1 1 A 66 66 ALA HA H 93 4.210 4.786 -0.576 1
1 673 . 13 1 1 A 66 66 ALA C C 93 174.580 175.174 -0.594 1
1 674 . 13 1 1 A 66 66 ALA CA C 93 53.020 51.273 1.747 1
1 675 . 13 1 1 A 66 66 ALA CB C 93 19.760 23.089 -3.329 1
1 676 . 13 1 1 A 66 66 ALA N N 93 124.050 122.979 1.071 1
1 677 . 13 1 1 A 67 67 GLN H H 94 8.320 8.911 -0.591 1
1 678 . 13 1 1 A 67 67 GLN HA H 94 4.190 4.598 -0.408 1
1 685 . 13 1 1 A 67 67 GLN C C 94 172.780 174.367 -1.587 1
1 686 . 13 1 1 A 67 67 GLN CA C 94 56.750 54.812 1.938 1
1 687 . 13 1 1 A 67 67 GLN CB C 94 29.100 28.034 1.066 1
1 689 . 13 1 1 A 67 67 GLN N N 94 117.930 122.264 -4.334 1
1 691 . 13 1 1 A 68 68 LEU H H 95 7.730 7.721 0.009 1
1 692 . 13 1 1 A 68 68 LEU HA H 95 4.360 4.915 -0.555 1
1 702 . 13 1 1 A 68 68 LEU C C 95 174.270 174.532 -0.262 1
1 703 . 13 1 1 A 68 68 LEU CA C 95 54.970 53.974 0.996 1
1 704 . 13 1 1 A 68 68 LEU CB C 95 43.120 45.858 -2.738 1
1 708 . 13 1 1 A 68 68 LEU N N 95 120.470 124.683 -4.213 1
1 709 . 13 1 1 A 69 69 ARG H H 96 8.600 8.418 0.182 1
1 710 . 13 1 1 A 69 69 ARG HA H 96 4.230 4.859 -0.629 1
1 718 . 13 1 1 A 69 69 ARG C C 96 171.700 175.413 -3.713 1
1 719 . 13 1 1 A 69 69 ARG CA C 96 56.570 55.888 0.682 1
1 720 . 13 1 1 A 69 69 ARG CB C 96 30.660 30.860 -0.200 1
1 723 . 13 1 1 A 69 69 ARG N N 96 121.670 124.405 -2.735 1
1 725 . 13 1 1 A 70 70 ARG H H 97 7.800 8.520 -0.720 1
1 726 . 13 1 1 A 70 70 ARG HA H 97 5.170 4.820 0.350 1
1 734 . 13 1 1 A 70 70 ARG C C 97 172.120 173.967 -1.847 1
1 735 . 13 1 1 A 70 70 ARG CA C 97 55.260 55.739 -0.479 1
1 736 . 13 1 1 A 70 70 ARG CB C 97 34.040 34.128 -0.088 1
1 739 . 13 1 1 A 70 70 ARG N N 97 120.130 123.922 -3.792 1
1 741 . 13 1 1 A 71 71 THR H H 98 8.610 7.968 0.642 1
1 742 . 13 1 1 A 71 71 THR HA H 98 4.600 5.257 -0.657 1
1 747 . 13 1 1 A 71 71 THR C C 98 169.250 173.577 -4.327 1
1 748 . 13 1 1 A 71 71 THR CA C 98 62.030 61.441 0.589 1
1 749 . 13 1 1 A 71 71 THR CB C 98 71.970 72.125 -0.155 1
1 751 . 13 1 1 A 71 71 THR N N 98 118.550 119.127 -0.577 1
1 752 . 13 1 1 A 72 72 ILE H H 99 8.520 8.703 -0.183 1
1 753 . 13 1 1 A 72 72 ILE HA H 99 5.080 5.068 0.012 1
1 763 . 13 1 1 A 72 72 ILE C C 99 170.930 173.053 -2.123 1
1 764 . 13 1 1 A 72 72 ILE CA C 99 59.370 59.389 -0.019 1
1 765 . 13 1 1 A 72 72 ILE CB C 99 42.140 42.434 -0.294 1
1 769 . 13 1 1 A 72 72 ILE N N 99 125.230 122.896 2.334 1
1 770 . 13 1 1 A 73 73 GLU H H 100 8.860 8.726 0.134 1
1 771 . 13 1 1 A 73 73 GLU HA H 100 4.670 5.065 -0.395 1
1 776 . 13 1 1 A 73 73 GLU C C 100 172.200 175.124 -2.924 1
1 777 . 13 1 1 A 73 73 GLU CA C 100 55.840 55.152 0.688 1
1 778 . 13 1 1 A 73 73 GLU CB C 100 34.410 34.420 -0.010 1
1 780 . 13 1 1 A 73 73 GLU N N 100 125.680 125.431 0.249 1
1 781 . 13 1 1 A 74 74 CYS H H 101 8.830 8.707 0.123 1
1 782 . 13 1 1 A 74 74 CYS HA H 101 5.790 5.548 0.242 1
1 785 . 13 1 1 A 74 74 CYS C C 101 170.360 172.223 -1.863 1
1 786 . 13 1 1 A 74 74 CYS CA C 101 55.010 54.771 0.239 1
1 787 . 13 1 1 A 74 74 CYS CB C 101 45.320 47.299 -1.979 1
1 788 . 13 1 1 A 74 74 CYS N N 101 119.260 118.254 1.006 1
1 789 . 13 1 1 A 75 75 CYS H H 102 9.130 8.732 0.398 1
1 790 . 13 1 1 A 75 75 CYS HA H 102 5.000 5.260 -0.260 1
1 793 . 13 1 1 A 75 75 CYS C C 102 170.670 171.896 -1.226 1
1 794 . 13 1 1 A 75 75 CYS CA C 102 56.180 55.452 0.728 1
1 795 . 13 1 1 A 75 75 CYS CB C 102 46.090 46.304 -0.214 1
1 796 . 13 1 1 A 75 75 CYS N N 102 116.460 117.737 -1.277 1
1 797 . 13 1 1 A 76 76 ARG H H 103 9.240 9.093 0.147 1
1 798 . 13 1 1 A 76 76 ARG HA H 103 4.800 4.641 0.159 1
1 806 . 13 1 1 A 76 76 ARG C C 103 172.120 174.755 -2.635 1
1 807 . 13 1 1 A 76 76 ARG CA C 103 56.230 54.966 1.264 1
1 808 . 13 1 1 A 76 76 ARG CB C 103 32.610 30.152 2.458 1
1 811 . 13 1 1 A 76 76 ARG N N 103 122.520 125.023 -2.503 1
1 813 . 13 1 1 A 77 77 THR H H 104 7.440 7.667 -0.227 1
1 814 . 13 1 1 A 77 77 THR HA H 104 4.600 5.166 -0.566 1
1 819 . 13 1 1 A 77 77 THR C C 104 171.890 173.660 -1.770 1
1 820 . 13 1 1 A 77 77 THR CA C 104 61.270 59.459 1.811 1
1 821 . 13 1 1 A 77 77 THR CB C 104 72.490 72.003 0.487 1
1 823 . 13 1 1 A 77 77 THR N N 104 109.730 112.213 -2.483 1
1 824 . 13 1 1 A 78 78 ASN H H 105 8.590 8.730 -0.140 1
1 825 . 13 1 1 A 78 78 ASN HA H 105 4.790 4.632 0.158 1
1 830 . 13 1 1 A 78 78 ASN C C 105 174.150 175.234 -1.084 1
1 831 . 13 1 1 A 78 78 ASN CA C 105 55.870 53.685 2.185 1
1 832 . 13 1 1 A 78 78 ASN CB C 105 39.260 38.420 0.840 1
1 833 . 13 1 1 A 78 78 ASN N N 105 119.360 119.732 -0.372 1
1 835 . 13 1 1 A 79 79 LEU H H 106 9.980 8.686 1.294 1
1 836 . 13 1 1 A 79 79 LEU HA H 106 3.680 3.896 -0.216 1
1 846 . 13 1 1 A 79 79 LEU C C 106 175.050 177.420 -2.370 1
1 847 . 13 1 1 A 79 79 LEU CA C 106 56.790 56.170 0.620 1
1 848 . 13 1 1 A 79 79 LEU CB C 106 38.920 39.399 -0.479 1
1 852 . 13 1 1 A 79 79 LEU N N 106 118.230 117.465 0.765 1
1 853 . 13 1 1 A 80 80 CYS H H 107 8.250 7.903 0.347 1
1 854 . 13 1 1 A 80 80 CYS HA H 107 4.320 4.414 -0.094 1
1 857 . 13 1 1 A 80 80 CYS C C 107 172.470 175.772 -3.302 1
1 858 . 13 1 1 A 80 80 CYS CA C 107 58.370 58.914 -0.544 1
1 859 . 13 1 1 A 80 80 CYS CB C 107 46.090 41.926 4.164 1
1 860 . 13 1 1 A 80 80 CYS N N 107 115.460 116.240 -0.780 1
1 861 . 13 1 1 A 81 81 ASN H H 108 8.590 7.818 0.772 1
1 862 . 13 1 1 A 81 81 ASN HA H 108 4.430 4.622 -0.192 1
1 867 . 13 1 1 A 81 81 ASN C C 108 172.210 177.848 -5.638 1
1 868 . 13 1 1 A 81 81 ASN CA C 108 53.320 55.365 -2.045 1
1 869 . 13 1 1 A 81 81 ASN CB C 108 37.290 38.560 -1.270 1
1 870 . 13 1 1 A 81 81 ASN N N 108 118.040 120.412 -2.372 1
1 872 . 13 1 1 A 82 82 GLN H H 109 7.490 8.061 -0.571 1
1 873 . 13 1 1 A 82 82 GLN HA H 109 3.380 3.931 -0.551 1
1 880 . 13 1 1 A 82 82 GLN C C 109 172.300 177.005 -4.705 1
1 881 . 13 1 1 A 82 82 GLN CA C 109 58.940 58.371 0.569 1
1 882 . 13 1 1 A 82 82 GLN CB C 109 28.770 27.958 0.812 1
1 884 . 13 1 1 A 82 82 GLN N N 109 121.350 120.240 1.110 1
1 886 . 13 1 1 A 83 83 TYR H H 110 7.830 7.252 0.578 1
1 887 . 13 1 1 A 83 83 TYR HA H 110 4.590 4.716 -0.126 1
1 892 . 13 1 1 A 83 83 TYR CA C 110 56.490 57.269 -0.779 1
1 893 . 13 1 1 A 83 83 TYR CB C 110 38.400 38.164 0.236 1
1 894 . 13 1 1 A 83 83 TYR N N 110 114.600 116.665 -2.065 1
1 895 . 13 1 1 A 84 84 LEU H H 111 6.610 6.990 -0.380 1
1 896 . 13 1 1 A 84 84 LEU HA H 111 4.170 4.931 -0.761 1
1 905 . 13 1 1 A 84 84 LEU C C 111 172.880 174.412 -1.532 1
1 906 . 13 1 1 A 84 84 LEU CA C 111 55.250 53.830 1.420 1
1 907 . 13 1 1 A 84 84 LEU CB C 111 43.400 44.730 -1.330 1
1 911 . 13 1 1 A 84 84 LEU N N 111 120.140 121.803 -1.663 1
1 912 . 13 1 1 A 85 85 GLN H H 112 8.780 8.914 -0.134 1
1 913 . 13 1 1 A 85 85 GLN HA H 112 4.570 4.918 -0.348 1
1 920 . 13 1 1 A 85 85 GLN C C 112 169.480 174.368 -4.888 1
1 921 . 13 1 1 A 85 85 GLN CA C 112 53.110 52.678 0.432 1
1 922 . 13 1 1 A 85 85 GLN CB C 112 30.000 30.454 -0.454 1
1 924 . 13 1 1 A 85 85 GLN N N 112 122.790 127.668 -4.878 1
1 926 . 13 1 1 A 86 86 PRO HA H 113 4.400 4.947 -0.547 1
1 931 . 13 1 1 A 86 86 PRO CA C 113 63.040 62.695 0.345 1
1 932 . 13 1 1 A 86 86 PRO CB C 113 32.400 32.657 -0.257 1
1 935 . 13 1 1 A 87 87 THR H H 114 8.180 8.564 -0.384 1
1 936 . 13 1 1 A 87 87 THR HA H 114 4.400 5.021 -0.621 1
1 941 . 13 1 1 A 87 87 THR C C 114 172.180 173.447 -1.267 1
1 942 . 13 1 1 A 87 87 THR CA C 114 60.960 59.757 1.203 1
1 943 . 13 1 1 A 87 87 THR CB C 114 71.290 72.126 -0.836 1
1 945 . 13 1 1 A 87 87 THR N N 114 111.930 112.737 -0.807 1
1 946 . 13 1 1 A 88 88 LEU H H 115 8.580 8.632 -0.052 1
1 947 . 13 1 1 A 88 88 LEU HA H 115 4.300 4.895 -0.595 1
1 956 . 13 1 1 A 88 88 LEU C C 115 171.740 174.698 -2.958 1
1 957 . 13 1 1 A 88 88 LEU CA C 115 53.230 53.714 -0.484 1
1 958 . 13 1 1 A 88 88 LEU CB C 115 41.900 41.066 0.834 1
1 962 . 13 1 1 A 88 88 LEU N N 115 125.290 124.593 0.697 1
1 963 . 13 1 1 A 89 89 PRO HA H 116 4.630 4.698 -0.068 1
1 970 . 13 1 1 A 89 89 PRO CA C 116 61.580 61.542 0.038 1
1 971 . 13 1 1 A 89 89 PRO CB C 116 30.980 31.389 -0.409 1
1 974 . 13 1 1 A 90 90 PRO HA H 117 4.350 4.613 -0.263 1
1 977 . 13 1 1 A 90 90 PRO CA C 117 63.010 62.739 0.271 1
1 978 . 13 1 1 A 90 90 PRO CB C 117 32.300 32.598 -0.298 1
1 981 . 13 1 1 A 91 91 VAL H H 118 8.190 8.660 -0.470 1
1 982 . 13 1 1 A 91 91 VAL HA H 118 3.900 4.025 -0.125 1
1 990 . 13 1 1 A 91 91 VAL C C 118 173.270 176.237 -2.967 1
1 991 . 13 1 1 A 91 91 VAL CA C 118 62.890 64.551 -1.661 1
1 992 . 13 1 1 A 91 91 VAL CB C 118 32.980 32.629 0.351 1
1 994 . 13 1 1 A 91 91 VAL N N 118 120.460 118.573 1.887 1
1 995 . 13 1 1 A 92 92 VAL H H 119 8.180 7.665 0.515 1
1 996 . 13 1 1 A 92 92 VAL HA H 119 4.040 4.152 -0.112 1
1 1004 . 13 1 1 A 92 92 VAL C C 119 172.960 175.653 -2.693 1
1 1005 . 13 1 1 A 92 92 VAL CA C 119 62.250 62.350 -0.100 1
1 1006 . 13 1 1 A 92 92 VAL CB C 119 33.280 32.741 0.539 1
1 1008 . 13 1 1 A 92 92 VAL N N 119 125.030 118.387 6.643 1
1 1009 . 13 1 1 A 93 93 ILE H H 120 8.220 8.618 -0.398 1
1 1010 . 13 1 1 A 93 93 ILE HA H 120 4.110 4.640 -0.530 1
1 1015 . 13 1 1 A 93 93 ILE C C 120 173.440 174.827 -1.387 1
1 1016 . 13 1 1 A 93 93 ILE CA C 120 61.050 60.450 0.600 1
1 1017 . 13 1 1 A 93 93 ILE CB C 120 39.030 38.097 0.933 1
1 1021 . 13 1 1 A 93 93 ILE N N 120 125.690 126.364 -0.674 1
1 1022 . 13 1 1 A 94 94 GLY H H 121 8.190 8.306 -0.116 1
1 1023 . 13 1 1 A 94 94 GLY HA2 H 121 4.050 4.179 -0.129 1
1 1024 . 13 1 1 A 94 94 GLY HA3 H 121 3.940 4.180 -0.240 1
1 1025 . 13 1 1 A 94 94 GLY C C 121 169.080 172.061 -2.981 1
1 1026 . 13 1 1 A 94 94 GLY CA C 121 44.850 46.269 -1.419 1
1 1027 . 13 1 1 A 94 94 GLY N N 121 113.150 113.803 -0.653 1
1 1028 . 13 1 1 A 95 95 PRO HA H 122 4.270 4.590 -0.320 1
1 1032 . 13 1 1 A 95 95 PRO CA C 122 63.340 63.253 0.087 1
1 1033 . 13 1 1 A 95 95 PRO CB C 122 32.160 32.276 -0.116 1
1 1036 . 13 1 1 A 96 96 PHE H H 123 8.140 8.517 -0.377 1
1 1037 . 13 1 1 A 96 96 PHE HA H 123 4.510 4.709 -0.199 1
1 1040 . 13 1 1 A 96 96 PHE C C 123 172.700 175.484 -2.784 1
1 1041 . 13 1 1 A 96 96 PHE CA C 123 58.040 56.199 1.841 1
1 1042 . 13 1 1 A 96 96 PHE CB C 123 39.710 40.340 -0.630 1
1 1043 . 13 1 1 A 96 96 PHE N N 123 119.410 118.678 0.732 1
1 1044 . 13 1 1 A 97 97 PHE H H 124 8.000 8.418 -0.418 1
1 1045 . 13 1 1 A 97 97 PHE HA H 124 4.490 5.566 -1.076 1
1 1048 . 13 1 1 A 97 97 PHE C C 124 172.140 172.834 -0.694 1
1 1049 . 13 1 1 A 97 97 PHE CA C 124 58.000 55.801 2.199 1
1 1050 . 13 1 1 A 97 97 PHE CB C 124 40.140 42.073 -1.933 1
1 1051 . 13 1 1 A 97 97 PHE N N 124 122.180 116.644 5.536 1
1 1052 . 13 1 1 A 98 98 ASP H H 125 8.100 8.797 -0.697 1
1 1053 . 13 1 1 A 98 98 ASP HA H 125 4.400 5.172 -0.772 1
1 1056 . 13 1 1 A 98 98 ASP C C 125 173.870 175.630 -1.760 1
1 1057 . 13 1 1 A 98 98 ASP CA C 125 54.470 53.271 1.199 1
1 1058 . 13 1 1 A 98 98 ASP CB C 125 41.390 45.187 -3.797 1
1 1059 . 13 1 1 A 98 98 ASP N N 125 123.000 118.853 4.147 1
1 1060 . 13 1 1 A 99 99 GLY H H 126 8.010 8.510 -0.500 1
1 1061 . 13 1 1 A 99 99 GLY HA3 H 126 3.860 4.116 -0.256 1
1 1062 . 13 1 1 A 99 99 GLY C C 126 171.640 173.778 -2.138 1
1 1063 . 13 1 1 A 99 99 GLY CA C 126 45.860 44.697 1.163 1
1 1064 . 13 1 1 A 99 99 GLY N N 126 109.280 108.987 0.293 1
1 1065 . 13 1 1 A 100 100 SER H H 127 8.110 8.244 -0.134 1
1 1066 . 13 1 1 A 100 100 SER HA H 127 4.320 4.787 -0.467 1
1 1069 . 13 1 1 A 100 100 SER C C 127 171.520 174.185 -2.665 1
1 1070 . 13 1 1 A 100 100 SER CA C 127 59.190 58.057 1.133 1
1 1071 . 13 1 1 A 100 100 SER CB C 127 64.240 64.808 -0.568 1
1 1072 . 13 1 1 A 100 100 SER N N 127 115.760 113.417 2.343 1
1 1073 . 13 1 1 A 101 101 ILE H H 128 7.960 8.522 -0.562 1
1 1074 . 13 1 1 A 101 101 ILE HA H 128 4.110 4.390 -0.280 1
1 1084 . 13 1 1 A 101 101 ILE C C 128 172.590 174.942 -2.352 1
1 1085 . 13 1 1 A 101 101 ILE CA C 128 61.800 60.679 1.121 1
1 1086 . 13 1 1 A 101 101 ILE CB C 128 38.820 38.479 0.341 1
1 1090 . 13 1 1 A 101 101 ILE N N 128 122.050 121.850 0.200 1
1 1 . 14 1 1 A 2 2 PRO HA H 29 4.310 4.522 -0.212 1
1 8 . 14 1 1 A 2 2 PRO CA C 29 64.380 63.176 1.204 1
1 9 . 14 1 1 A 2 2 PRO CB C 29 32.300 31.898 0.402 1
1 12 . 14 1 1 A 3 3 GLU H H 30 9.010 8.750 0.260 1
1 13 . 14 1 1 A 3 3 GLU HA H 30 4.170 4.695 -0.525 1
1 18 . 14 1 1 A 3 3 GLU C C 30 173.730 174.792 -1.062 1
1 19 . 14 1 1 A 3 3 GLU CA C 30 57.560 55.243 2.317 1
1 20 . 14 1 1 A 3 3 GLU CB C 30 29.400 30.436 -1.036 1
1 22 . 14 1 1 A 3 3 GLU N N 30 118.790 123.971 -5.181 1
1 23 . 14 1 1 A 4 4 ASP H H 31 7.940 8.464 -0.524 1
1 24 . 14 1 1 A 4 4 ASP HA H 31 4.560 4.794 -0.234 1
1 27 . 14 1 1 A 4 4 ASP C C 31 173.600 174.617 -1.017 1
1 28 . 14 1 1 A 4 4 ASP CA C 31 54.940 53.787 1.153 1
1 29 . 14 1 1 A 4 4 ASP CB C 31 41.650 39.179 2.471 1
1 30 . 14 1 1 A 4 4 ASP N N 31 119.920 124.671 -4.751 1
1 31 . 14 1 1 A 5 5 THR H H 32 7.810 7.958 -0.148 1
1 32 . 14 1 1 A 5 5 THR HA H 32 4.160 4.765 -0.605 1
1 37 . 14 1 1 A 5 5 THR C C 32 171.630 173.380 -1.750 1
1 38 . 14 1 1 A 5 5 THR CA C 32 62.410 61.529 0.881 1
1 39 . 14 1 1 A 5 5 THR CB C 32 70.040 71.660 -1.620 1
1 41 . 14 1 1 A 5 5 THR N N 32 113.570 118.777 -5.207 1
1 42 . 14 1 1 A 6 6 LEU H H 33 8.100 8.956 -0.856 1
1 43 . 14 1 1 A 6 6 LEU HA H 33 4.490 4.713 -0.223 1
1 53 . 14 1 1 A 6 6 LEU C C 33 172.440 174.998 -2.558 1
1 54 . 14 1 1 A 6 6 LEU CA C 33 53.430 53.282 0.148 1
1 55 . 14 1 1 A 6 6 LEU CB C 33 41.900 41.486 0.414 1
1 59 . 14 1 1 A 6 6 LEU N N 33 125.790 128.902 -3.112 1
1 60 . 14 1 1 A 7 7 PRO HA H 34 4.130 4.549 -0.419 1
1 67 . 14 1 1 A 7 7 PRO CA C 34 63.660 62.863 0.797 1
1 68 . 14 1 1 A 7 7 PRO CB C 34 31.970 32.083 -0.113 1
1 71 . 14 1 1 A 8 8 PHE H H 35 7.610 8.421 -0.811 1
1 72 . 14 1 1 A 8 8 PHE HA H 35 4.580 4.810 -0.230 1
1 77 . 14 1 1 A 8 8 PHE C C 35 171.110 174.579 -3.469 1
1 78 . 14 1 1 A 8 8 PHE CA C 35 57.690 55.997 1.693 1
1 79 . 14 1 1 A 8 8 PHE CB C 35 40.850 38.687 2.163 1
1 80 . 14 1 1 A 8 8 PHE N N 35 117.670 117.220 0.450 1
1 81 . 14 1 1 A 9 9 LEU H H 36 8.310 7.604 0.706 1
1 82 . 14 1 1 A 9 9 LEU HA H 36 4.420 4.823 -0.403 1
1 92 . 14 1 1 A 9 9 LEU C C 36 171.050 174.007 -2.957 1
1 93 . 14 1 1 A 9 9 LEU CA C 36 54.770 54.420 0.350 1
1 94 . 14 1 1 A 9 9 LEU CB C 36 44.230 45.285 -1.055 1
1 98 . 14 1 1 A 9 9 LEU N N 36 125.150 121.958 3.192 1
1 99 . 14 1 1 A 10 10 LYS H H 37 8.130 9.331 -1.201 1
1 100 . 14 1 1 A 10 10 LYS HA H 37 5.110 5.120 -0.010 1
1 109 . 14 1 1 A 10 10 LYS C C 37 172.470 175.006 -2.536 1
1 110 . 14 1 1 A 10 10 LYS CA C 37 54.730 55.076 -0.346 1
1 111 . 14 1 1 A 10 10 LYS CB C 37 35.010 34.389 0.621 1
1 115 . 14 1 1 A 10 10 LYS N N 37 123.550 128.068 -4.518 1
1 116 . 14 1 1 A 11 11 CYS H H 38 9.240 8.838 0.402 1
1 117 . 14 1 1 A 11 11 CYS HA H 38 4.890 5.427 -0.537 1
1 120 . 14 1 1 A 11 11 CYS C C 38 171.750 171.995 -0.245 1
1 121 . 14 1 1 A 11 11 CYS CA C 38 51.950 54.798 -2.848 1
1 122 . 14 1 1 A 11 11 CYS CB C 38 41.360 44.957 -3.597 1
1 123 . 14 1 1 A 11 11 CYS N N 38 121.580 124.362 -2.782 1
1 124 . 14 1 1 A 12 12 TYR H H 39 8.830 8.947 -0.117 1
1 125 . 14 1 1 A 12 12 TYR HA H 39 4.780 4.746 0.034 1
1 132 . 14 1 1 A 12 12 TYR C C 39 172.260 174.695 -2.435 1
1 133 . 14 1 1 A 12 12 TYR CA C 39 58.500 58.702 -0.202 1
1 134 . 14 1 1 A 12 12 TYR CB C 39 40.900 39.436 1.464 1
1 135 . 14 1 1 A 12 12 TYR N N 39 122.390 125.582 -3.192 1
1 136 . 14 1 1 A 13 13 CYS H H 40 7.690 8.016 -0.326 1
1 137 . 14 1 1 A 13 13 CYS HA H 40 4.420 5.701 -1.281 1
1 140 . 14 1 1 A 13 13 CYS CA C 40 53.850 54.054 -0.204 1
1 141 . 14 1 1 A 13 13 CYS CB C 40 48.920 45.238 3.682 1
1 142 . 14 1 1 A 14 14 SER H H 41 7.850 8.905 -1.055 1
1 143 . 14 1 1 A 14 14 SER HA H 41 4.160 4.853 -0.693 1
1 146 . 14 1 1 A 14 14 SER CA C 41 58.450 56.361 2.089 1
1 147 . 14 1 1 A 14 14 SER CB C 41 63.840 66.019 -2.179 1
1 148 . 14 1 1 A 14 14 SER N N 41 117.020 118.501 -1.481 1
1 149 . 14 1 1 A 16 16 HIS HA H 43 4.880 4.698 0.182 1
1 152 . 14 1 1 A 16 16 HIS CA C 43 54.770 55.341 -0.571 1
1 153 . 14 1 1 A 16 16 HIS CB C 43 29.490 31.225 -1.735 1
1 154 . 14 1 1 A 17 17 CYS H H 44 8.560 8.647 -0.087 1
1 155 . 14 1 1 A 18 18 PRO HA H 45 4.660 4.569 0.091 1
1 160 . 14 1 1 A 18 18 PRO CA C 45 62.500 62.792 -0.292 1
1 161 . 14 1 1 A 18 18 PRO CB C 45 33.140 32.792 0.348 1
1 164 . 14 1 1 A 19 19 ASP H H 46 8.800 8.957 -0.157 1
1 165 . 14 1 1 A 19 19 ASP HA H 46 4.250 4.361 -0.111 1
1 168 . 14 1 1 A 19 19 ASP C C 46 173.430 176.610 -3.180 1
1 169 . 14 1 1 A 19 19 ASP CA C 46 57.190 56.883 0.307 1
1 170 . 14 1 1 A 19 19 ASP CB C 46 40.720 40.499 0.221 1
1 171 . 14 1 1 A 19 19 ASP N N 46 120.170 123.907 -3.737 1
1 172 . 14 1 1 A 20 20 ASP H H 47 8.050 8.254 -0.204 1
1 173 . 14 1 1 A 20 20 ASP HA H 47 4.510 4.635 -0.125 1
1 176 . 14 1 1 A 20 20 ASP C C 47 173.500 176.072 -2.572 1
1 177 . 14 1 1 A 20 20 ASP CA C 47 52.840 53.032 -0.192 1
1 178 . 14 1 1 A 20 20 ASP CB C 47 39.980 39.738 0.242 1
1 179 . 14 1 1 A 20 20 ASP N N 47 114.670 115.184 -0.514 1
1 180 . 14 1 1 A 21 21 ALA H H 48 7.350 7.291 0.059 1
1 181 . 14 1 1 A 21 21 ALA HA H 48 4.280 4.288 -0.008 1
1 185 . 14 1 1 A 21 21 ALA C C 48 174.490 176.697 -2.207 1
1 186 . 14 1 1 A 21 21 ALA CA C 48 53.430 52.293 1.137 1
1 187 . 14 1 1 A 21 21 ALA CB C 48 20.870 20.024 0.846 1
1 188 . 14 1 1 A 21 21 ALA N N 48 122.660 122.615 0.045 1
1 189 . 14 1 1 A 22 22 ILE H H 49 7.960 8.148 -0.188 1
1 190 . 14 1 1 A 22 22 ILE HA H 49 4.240 4.559 -0.319 1
1 199 . 14 1 1 A 22 22 ILE C C 49 173.300 176.263 -2.963 1
1 200 . 14 1 1 A 22 22 ILE CA C 49 60.230 59.683 0.547 1
1 201 . 14 1 1 A 22 22 ILE CB C 49 40.280 40.308 -0.028 1
1 205 . 14 1 1 A 22 22 ILE N N 49 119.550 119.795 -0.245 1
1 206 . 14 1 1 A 23 23 ASN H H 50 9.280 9.101 0.179 1
1 207 . 14 1 1 A 23 23 ASN HA H 50 4.290 4.453 -0.163 1
1 212 . 14 1 1 A 23 23 ASN CA C 50 54.660 53.874 0.786 1
1 213 . 14 1 1 A 23 23 ASN CB C 50 37.620 36.174 1.446 1
1 214 . 14 1 1 A 23 23 ASN N N 50 125.470 125.198 0.272 1
1 216 . 14 1 1 A 24 24 ASN H H 51 8.850 8.528 0.322 1
1 217 . 14 1 1 A 24 24 ASN HA H 51 4.070 4.223 -0.153 1
1 222 . 14 1 1 A 24 24 ASN C C 51 170.660 173.738 -3.078 1
1 223 . 14 1 1 A 24 24 ASN CA C 51 56.080 54.030 2.050 1
1 224 . 14 1 1 A 24 24 ASN CB C 51 37.430 37.238 0.192 1
1 226 . 14 1 1 A 25 25 THR H H 52 7.190 7.399 -0.209 1
1 227 . 14 1 1 A 25 25 THR HA H 52 5.370 5.035 0.335 1
1 232 . 14 1 1 A 25 25 THR C C 52 169.910 172.396 -2.486 1
1 233 . 14 1 1 A 25 25 THR CA C 52 59.890 59.527 0.363 1
1 234 . 14 1 1 A 25 25 THR CB C 52 73.940 72.407 1.533 1
1 236 . 14 1 1 A 25 25 THR N N 52 105.820 106.720 -0.900 1
1 237 . 14 1 1 A 26 26 CYS H H 53 8.960 8.939 0.021 1
1 238 . 14 1 1 A 26 26 CYS HA H 53 5.000 5.420 -0.420 1
1 241 . 14 1 1 A 26 26 CYS C C 53 168.780 171.529 -2.749 1
1 242 . 14 1 1 A 26 26 CYS CA C 53 52.560 53.633 -1.073 1
1 243 . 14 1 1 A 26 26 CYS CB C 53 48.650 46.397 2.253 1
1 244 . 14 1 1 A 26 26 CYS N N 53 116.070 118.914 -2.844 1
1 245 . 14 1 1 A 27 27 ILE H H 54 8.530 8.500 0.030 1
1 246 . 14 1 1 A 27 27 ILE HA H 54 5.210 4.950 0.260 1
1 256 . 14 1 1 A 27 27 ILE C C 54 173.400 174.658 -1.258 1
1 257 . 14 1 1 A 27 27 ILE CA C 54 59.200 60.148 -0.948 1
1 258 . 14 1 1 A 27 27 ILE CB C 54 40.220 40.175 0.045 1
1 262 . 14 1 1 A 27 27 ILE N N 54 120.170 121.279 -1.109 1
1 263 . 14 1 1 A 28 28 THR H H 55 9.200 8.835 0.365 1
1 264 . 14 1 1 A 28 28 THR HA H 55 4.800 5.177 -0.377 1
1 269 . 14 1 1 A 28 28 THR C C 55 168.370 172.612 -4.242 1
1 270 . 14 1 1 A 28 28 THR CA C 55 60.060 59.724 0.336 1
1 271 . 14 1 1 A 28 28 THR CB C 55 70.490 71.333 -0.843 1
1 273 . 14 1 1 A 28 28 THR N N 55 120.750 120.782 -0.032 1
1 274 . 14 1 1 A 29 29 ASN H H 56 8.000 8.455 -0.455 1
1 275 . 14 1 1 A 29 29 ASN HA H 56 4.920 4.867 0.053 1
1 280 . 14 1 1 A 29 29 ASN C C 56 172.880 175.466 -2.586 1
1 281 . 14 1 1 A 29 29 ASN CA C 56 52.620 51.531 1.089 1
1 282 . 14 1 1 A 29 29 ASN CB C 56 38.920 38.132 0.788 1
1 283 . 14 1 1 A 29 29 ASN N N 56 120.880 123.524 -2.644 1
1 285 . 14 1 1 A 30 30 GLY H H 57 8.510 7.626 0.884 1
1 286 . 14 1 1 A 30 30 GLY HA2 H 57 4.140 3.948 0.192 1
1 287 . 14 1 1 A 30 30 GLY HA3 H 57 3.960 4.098 -0.138 1
1 288 . 14 1 1 A 30 30 GLY C C 57 169.020 172.852 -3.832 1
1 289 . 14 1 1 A 30 30 GLY CA C 57 45.800 45.315 0.485 1
1 290 . 14 1 1 A 30 30 GLY N N 57 111.380 109.346 2.034 1
1 291 . 14 1 1 A 31 31 HIS H H 58 8.560 7.655 0.905 1
1 292 . 14 1 1 A 31 31 HIS HA H 58 4.710 5.267 -0.557 1
1 295 . 14 1 1 A 31 31 HIS C C 58 171.200 173.873 -2.673 1
1 296 . 14 1 1 A 31 31 HIS CA C 58 56.140 54.649 1.491 1
1 297 . 14 1 1 A 31 31 HIS CB C 58 34.650 34.011 0.639 1
1 298 . 14 1 1 A 31 31 HIS N N 58 120.870 115.592 5.278 1
1 299 . 14 1 1 A 32 32 CYS H H 59 8.710 8.568 0.142 1
1 300 . 14 1 1 A 32 32 CYS HA H 59 5.700 5.231 0.469 1
1 303 . 14 1 1 A 32 32 CYS C C 59 173.470 173.432 0.038 1
1 304 . 14 1 1 A 32 32 CYS CA C 59 52.340 55.138 -2.798 1
1 305 . 14 1 1 A 32 32 CYS CB C 59 36.950 44.242 -7.292 1
1 306 . 14 1 1 A 32 32 CYS N N 59 117.290 119.557 -2.267 1
1 307 . 14 1 1 A 33 33 PHE H H 60 8.700 8.429 0.271 1
1 308 . 14 1 1 A 33 33 PHE HA H 60 6.110 5.790 0.320 1
1 316 . 14 1 1 A 33 33 PHE C C 60 172.200 172.883 -0.683 1
1 317 . 14 1 1 A 33 33 PHE CA C 60 56.630 55.306 1.324 1
1 318 . 14 1 1 A 33 33 PHE CB C 60 44.830 42.588 2.242 1
1 319 . 14 1 1 A 33 33 PHE N N 60 116.070 120.047 -3.977 1
1 320 . 14 1 1 A 34 34 ALA H H 61 9.200 8.392 0.808 1
1 321 . 14 1 1 A 34 34 ALA HA H 61 5.000 4.933 0.067 1
1 325 . 14 1 1 A 34 34 ALA C C 61 171.610 175.714 -4.104 1
1 326 . 14 1 1 A 34 34 ALA CA C 61 52.320 51.488 0.832 1
1 327 . 14 1 1 A 34 34 ALA CB C 61 23.950 23.341 0.609 1
1 328 . 14 1 1 A 34 34 ALA N N 61 125.170 120.940 4.230 1
1 329 . 14 1 1 A 35 35 ILE H H 62 9.470 8.559 0.911 1
1 330 . 14 1 1 A 35 35 ILE HA H 62 5.350 4.923 0.427 1
1 340 . 14 1 1 A 35 35 ILE C C 62 170.850 173.214 -2.364 1
1 341 . 14 1 1 A 35 35 ILE CA C 62 59.260 59.652 -0.392 1
1 342 . 14 1 1 A 35 35 ILE CB C 62 43.660 42.386 1.274 1
1 346 . 14 1 1 A 35 35 ILE N N 62 120.630 119.315 1.315 1
1 347 . 14 1 1 A 36 36 ILE H H 63 8.500 8.922 -0.422 1
1 348 . 14 1 1 A 36 36 ILE HA H 63 5.240 5.274 -0.034 1
1 358 . 14 1 1 A 36 36 ILE C C 63 170.510 173.104 -2.594 1
1 359 . 14 1 1 A 36 36 ILE CA C 63 59.130 59.155 -0.025 1
1 360 . 14 1 1 A 36 36 ILE CB C 63 41.670 42.436 -0.766 1
1 364 . 14 1 1 A 36 36 ILE N N 63 125.830 126.137 -0.307 1
1 365 . 14 1 1 A 37 37 GLU H H 64 8.450 8.741 -0.291 1
1 366 . 14 1 1 A 37 37 GLU HA H 64 5.010 4.876 0.134 1
1 371 . 14 1 1 A 37 37 GLU C C 64 171.410 174.344 -2.934 1
1 372 . 14 1 1 A 37 37 GLU CA C 64 54.830 54.963 -0.133 1
1 373 . 14 1 1 A 37 37 GLU CB C 64 34.320 34.330 -0.010 1
1 375 . 14 1 1 A 37 37 GLU N N 64 124.570 127.026 -2.456 1
1 376 . 14 1 1 A 38 38 GLU H H 65 8.300 8.515 -0.215 1
1 377 . 14 1 1 A 38 38 GLU HA H 65 5.040 4.949 0.091 1
1 382 . 14 1 1 A 38 38 GLU C C 65 172.920 175.930 -3.010 1
1 383 . 14 1 1 A 38 38 GLU CA C 65 54.760 55.080 -0.320 1
1 384 . 14 1 1 A 38 38 GLU CB C 65 33.470 31.644 1.826 1
1 386 . 14 1 1 A 38 38 GLU N N 65 123.960 123.640 0.320 1
1 387 . 14 1 1 A 39 39 ASP H H 66 8.470 8.317 0.153 1
1 388 . 14 1 1 A 39 39 ASP HA H 66 4.750 4.899 -0.149 1
1 391 . 14 1 1 A 39 39 ASP C C 66 174.940 177.101 -2.161 1
1 392 . 14 1 1 A 39 39 ASP CA C 66 52.890 52.495 0.395 1
1 393 . 14 1 1 A 39 39 ASP CB C 66 41.990 41.419 0.571 1
1 394 . 14 1 1 A 39 39 ASP N N 66 124.870 126.800 -1.930 1
1 395 . 14 1 1 A 40 40 ASP H H 67 8.380 8.754 -0.374 1
1 396 . 14 1 1 A 40 40 ASP HA H 67 4.310 4.265 0.045 1
1 399 . 14 1 1 A 40 40 ASP C C 67 174.210 177.365 -3.155 1
1 400 . 14 1 1 A 40 40 ASP CA C 67 56.350 56.649 -0.299 1
1 401 . 14 1 1 A 40 40 ASP CB C 67 40.510 40.442 0.068 1
1 402 . 14 1 1 A 40 40 ASP N N 67 116.220 118.596 -2.376 1
1 403 . 14 1 1 A 41 41 GLN H H 68 8.200 7.805 0.395 1
1 404 . 14 1 1 A 41 41 GLN HA H 68 4.380 4.370 0.010 1
1 411 . 14 1 1 A 41 41 GLN C C 68 173.740 176.430 -2.690 1
1 412 . 14 1 1 A 41 41 GLN CA C 68 55.590 55.615 -0.025 1
1 413 . 14 1 1 A 41 41 GLN CB C 68 29.780 29.460 0.320 1
1 415 . 14 1 1 A 41 41 GLN N N 68 117.190 116.681 0.509 1
1 417 . 14 1 1 A 42 42 GLY H H 69 8.000 8.202 -0.202 1
1 418 . 14 1 1 A 42 42 GLY HA2 H 69 3.630 3.899 -0.269 1
1 419 . 14 1 1 A 42 42 GLY HA3 H 69 4.140 3.900 0.240 1
1 420 . 14 1 1 A 42 42 GLY C C 69 171.650 174.237 -2.587 1
1 421 . 14 1 1 A 42 42 GLY CA C 69 45.730 45.638 0.092 1
1 422 . 14 1 1 A 42 42 GLY N N 69 108.130 108.517 -0.387 1
1 423 . 14 1 1 A 43 43 GLU H H 70 8.410 7.562 0.848 1
1 424 . 14 1 1 A 43 43 GLU HA H 70 4.450 4.593 -0.143 1
1 429 . 14 1 1 A 43 43 GLU C C 70 173.970 176.358 -2.388 1
1 430 . 14 1 1 A 43 43 GLU CA C 70 56.020 55.227 0.793 1
1 431 . 14 1 1 A 43 43 GLU CB C 70 30.300 31.058 -0.758 1
1 433 . 14 1 1 A 43 43 GLU N N 70 122.300 119.863 2.437 1
1 434 . 14 1 1 A 44 44 THR H H 71 8.620 8.492 0.128 1
1 435 . 14 1 1 A 44 44 THR HA H 71 5.210 5.196 0.014 1
1 440 . 14 1 1 A 44 44 THR C C 71 172.160 174.028 -1.868 1
1 441 . 14 1 1 A 44 44 THR CA C 71 61.600 60.785 0.815 1
1 442 . 14 1 1 A 44 44 THR CB C 71 71.000 70.096 0.904 1
1 444 . 14 1 1 A 44 44 THR N N 71 117.330 113.598 3.732 1
1 445 . 14 1 1 A 45 45 THR H H 72 8.760 8.643 0.117 1
1 446 . 14 1 1 A 45 45 THR HA H 72 4.500 5.047 -0.547 1
1 451 . 14 1 1 A 45 45 THR C C 72 169.600 173.563 -3.963 1
1 452 . 14 1 1 A 45 45 THR CA C 72 61.270 60.516 0.754 1
1 453 . 14 1 1 A 45 45 THR CB C 72 72.320 70.026 2.294 1
1 455 . 14 1 1 A 45 45 THR N N 72 117.840 117.623 0.217 1
1 456 . 14 1 1 A 46 46 LEU H H 73 8.400 9.121 -0.721 1
1 457 . 14 1 1 A 46 46 LEU HA H 73 5.250 5.015 0.235 1
1 464 . 14 1 1 A 46 46 LEU C C 73 173.150 175.479 -2.329 1
1 465 . 14 1 1 A 46 46 LEU CA C 73 54.300 53.783 0.517 1
1 466 . 14 1 1 A 46 46 LEU CB C 73 44.860 43.454 1.406 1
1 470 . 14 1 1 A 46 46 LEU N N 73 126.020 127.566 -1.546 1
1 471 . 14 1 1 A 47 47 ALA HA H 74 4.760 5.323 -0.563 1
1 475 . 14 1 1 A 47 47 ALA C C 74 172.740 175.412 -2.672 1
1 476 . 14 1 1 A 47 47 ALA CA C 74 51.440 50.732 0.708 1
1 477 . 14 1 1 A 47 47 ALA CB C 74 23.350 23.283 0.067 1
1 478 . 14 1 1 A 48 48 SER H H 75 8.700 8.076 0.624 1
1 479 . 14 1 1 A 48 48 SER HA H 75 4.500 4.660 -0.160 1
1 482 . 14 1 1 A 48 48 SER C C 75 171.590 173.024 -1.434 1
1 483 . 14 1 1 A 48 48 SER CA C 75 57.740 56.363 1.377 1
1 484 . 14 1 1 A 48 48 SER CB C 75 65.700 66.043 -0.343 1
1 485 . 14 1 1 A 48 48 SER N N 75 111.400 114.197 -2.797 1
1 486 . 14 1 1 A 49 49 GLY H H 76 6.440 7.302 -0.862 1
1 487 . 14 1 1 A 49 49 GLY HA2 H 76 3.850 3.910 -0.060 1
1 488 . 14 1 1 A 49 49 GLY HA3 H 76 3.730 3.933 -0.203 1
1 489 . 14 1 1 A 49 49 GLY C C 76 167.890 171.269 -3.379 1
1 490 . 14 1 1 A 49 49 GLY CA C 76 47.420 45.862 1.558 1
1 491 . 14 1 1 A 49 49 GLY N N 76 105.480 105.771 -0.291 1
1 492 . 14 1 1 A 50 50 CYS H H 77 8.740 8.343 0.397 1
1 493 . 14 1 1 A 50 50 CYS HA H 77 4.950 5.347 -0.397 1
1 496 . 14 1 1 A 50 50 CYS C C 77 170.670 172.700 -2.030 1
1 497 . 14 1 1 A 50 50 CYS CA C 77 60.030 55.265 4.765 1
1 498 . 14 1 1 A 50 50 CYS CB C 77 46.100 43.355 2.745 1
1 499 . 14 1 1 A 50 50 CYS N N 77 118.960 119.796 -0.836 1
1 500 . 14 1 1 A 51 51 MET H H 78 9.240 9.045 0.195 1
1 501 . 14 1 1 A 51 51 MET HA H 78 4.760 4.989 -0.229 1
1 509 . 14 1 1 A 51 51 MET C C 78 171.990 175.973 -3.983 1
1 510 . 14 1 1 A 51 51 MET CA C 78 54.630 54.172 0.458 1
1 511 . 14 1 1 A 51 51 MET CB C 78 35.810 35.101 0.709 1
1 514 . 14 1 1 A 51 51 MET N N 78 122.340 125.938 -3.598 1
1 515 . 14 1 1 A 52 52 LYS H H 79 8.430 8.440 -0.010 1
1 516 . 14 1 1 A 52 52 LYS HA H 79 4.160 4.307 -0.147 1
1 525 . 14 1 1 A 52 52 LYS C C 79 173.040 175.875 -2.835 1
1 526 . 14 1 1 A 52 52 LYS CA C 79 57.120 55.959 1.161 1
1 527 . 14 1 1 A 52 52 LYS CB C 79 33.720 32.816 0.904 1
1 531 . 14 1 1 A 52 52 LYS N N 79 125.030 124.069 0.961 1
1 532 . 14 1 1 A 53 53 TYR H H 80 8.400 8.767 -0.367 1
1 533 . 14 1 1 A 53 53 TYR HA H 80 4.200 4.539 -0.339 1
1 536 . 14 1 1 A 53 53 TYR C C 80 173.370 175.399 -2.029 1
1 537 . 14 1 1 A 53 53 TYR CA C 80 59.910 59.210 0.700 1
1 538 . 14 1 1 A 53 53 TYR CB C 80 39.000 39.181 -0.181 1
1 539 . 14 1 1 A 53 53 TYR N N 80 121.420 121.051 0.369 1
1 540 . 14 1 1 A 54 54 GLU H H 81 8.490 8.507 -0.017 1
1 541 . 14 1 1 A 54 54 GLU HA H 81 4.170 4.535 -0.365 1
1 545 . 14 1 1 A 54 54 GLU C C 81 173.240 177.086 -3.846 1
1 546 . 14 1 1 A 54 54 GLU CA C 81 56.440 56.305 0.135 1
1 547 . 14 1 1 A 54 54 GLU CB C 81 30.860 32.210 -1.350 1
1 549 . 14 1 1 A 54 54 GLU N N 81 123.790 124.336 -0.546 1
1 550 . 14 1 1 A 55 55 GLY H H 82 7.200 8.065 -0.865 1
1 551 . 14 1 1 A 55 55 GLY HA2 H 82 4.050 3.692 0.358 1
1 552 . 14 1 1 A 55 55 GLY HA3 H 82 3.690 3.878 -0.188 1
1 553 . 14 1 1 A 55 55 GLY C C 82 171.520 173.461 -1.941 1
1 554 . 14 1 1 A 55 55 GLY CA C 82 45.680 45.422 0.258 1
1 555 . 14 1 1 A 55 55 GLY N N 82 108.400 108.057 0.343 1
1 556 . 14 1 1 A 56 56 SER H H 83 8.140 7.405 0.735 1
1 557 . 14 1 1 A 56 56 SER HA H 83 4.280 4.776 -0.496 1
1 560 . 14 1 1 A 56 56 SER C C 83 171.900 173.512 -1.612 1
1 561 . 14 1 1 A 56 56 SER CA C 83 59.270 57.029 2.241 1
1 562 . 14 1 1 A 56 56 SER CB C 83 63.960 65.261 -1.301 1
1 563 . 14 1 1 A 56 56 SER N N 83 114.650 110.810 3.840 1
1 564 . 14 1 1 A 57 57 ASP H H 84 8.340 8.976 -0.636 1
1 565 . 14 1 1 A 57 57 ASP HA H 84 4.430 4.449 -0.019 1
1 568 . 14 1 1 A 57 57 ASP C C 84 173.100 178.488 -5.388 1
1 569 . 14 1 1 A 57 57 ASP CA C 84 54.950 57.346 -2.396 1
1 570 . 14 1 1 A 57 57 ASP CB C 84 40.840 41.146 -0.306 1
1 571 . 14 1 1 A 57 57 ASP N N 84 121.230 124.859 -3.629 1
1 572 . 14 1 1 A 58 58 PHE H H 85 7.730 8.014 -0.284 1
1 573 . 14 1 1 A 58 58 PHE HA H 85 4.260 4.454 -0.194 1
1 581 . 14 1 1 A 58 58 PHE C C 85 172.590 176.032 -3.442 1
1 582 . 14 1 1 A 58 58 PHE CA C 85 58.520 58.474 0.046 1
1 583 . 14 1 1 A 58 58 PHE CB C 85 39.840 37.945 1.895 1
1 584 . 14 1 1 A 58 58 PHE N N 85 118.920 116.017 2.903 1
1 585 . 14 1 1 A 59 59 GLN H H 86 7.790 7.498 0.292 1
1 586 . 14 1 1 A 59 59 GLN HA H 86 4.070 4.193 -0.123 1
1 593 . 14 1 1 A 59 59 GLN C C 86 172.550 175.207 -2.657 1
1 594 . 14 1 1 A 59 59 GLN CA C 86 56.000 54.770 1.230 1
1 595 . 14 1 1 A 59 59 GLN CB C 86 30.600 26.650 3.950 1
1 597 . 14 1 1 A 59 59 GLN N N 86 120.280 119.117 1.163 1
1 599 . 14 1 1 A 60 60 CYS H H 87 8.100 8.335 -0.235 1
1 600 . 14 1 1 A 60 60 CYS HA H 87 4.140 4.782 -0.642 1
1 603 . 14 1 1 A 60 60 CYS C C 87 170.910 173.058 -2.148 1
1 604 . 14 1 1 A 60 60 CYS CA C 87 56.810 55.288 1.522 1
1 605 . 14 1 1 A 60 60 CYS CB C 87 40.780 43.532 -2.752 1
1 606 . 14 1 1 A 60 60 CYS N N 87 118.790 123.394 -4.604 1
1 607 . 14 1 1 A 61 61 LYS H H 88 7.610 7.552 0.058 1
1 608 . 14 1 1 A 61 61 LYS HA H 88 4.280 4.577 -0.297 1
1 617 . 14 1 1 A 61 61 LYS C C 88 172.330 175.753 -3.423 1
1 618 . 14 1 1 A 61 61 LYS CA C 88 56.210 55.093 1.117 1
1 619 . 14 1 1 A 61 61 LYS CB C 88 34.210 34.068 0.142 1
1 623 . 14 1 1 A 61 61 LYS N N 88 120.330 121.407 -1.077 1
1 624 . 14 1 1 A 62 62 ASP H H 89 8.180 8.681 -0.501 1
1 625 . 14 1 1 A 62 62 ASP HA H 89 4.500 5.433 -0.933 1
1 628 . 14 1 1 A 62 62 ASP C C 89 172.970 175.578 -2.608 1
1 629 . 14 1 1 A 62 62 ASP CA C 89 54.200 52.401 1.799 1
1 630 . 14 1 1 A 62 62 ASP CB C 89 42.090 42.443 -0.353 1
1 631 . 14 1 1 A 62 62 ASP N N 89 121.190 120.020 1.170 1
1 632 . 14 1 1 A 63 63 SER H H 90 8.190 8.876 -0.686 1
1 633 . 14 1 1 A 63 63 SER HA H 90 4.640 4.727 -0.087 1
1 636 . 14 1 1 A 63 63 SER C C 90 170.240 174.316 -4.076 1
1 637 . 14 1 1 A 63 63 SER CA C 90 56.600 57.197 -0.597 1
1 638 . 14 1 1 A 63 63 SER CB C 90 63.770 63.015 0.755 1
1 639 . 14 1 1 A 63 63 SER N N 90 116.710 120.812 -4.102 1
1 640 . 14 1 1 A 64 64 PRO HA H 91 4.350 4.600 -0.250 1
1 647 . 14 1 1 A 64 64 PRO CA C 91 63.800 62.758 1.042 1
1 648 . 14 1 1 A 64 64 PRO CB C 91 32.410 29.638 2.772 1
1 651 . 14 1 1 A 65 65 LYS H H 92 8.240 7.762 0.478 1
1 652 . 14 1 1 A 65 65 LYS HA H 92 4.210 4.647 -0.437 1
1 661 . 14 1 1 A 65 65 LYS C C 92 173.330 176.010 -2.680 1
1 662 . 14 1 1 A 65 65 LYS CA C 92 56.410 55.458 0.952 1
1 663 . 14 1 1 A 65 65 LYS CB C 92 33.230 32.836 0.394 1
1 667 . 14 1 1 A 65 65 LYS N N 92 120.180 118.012 2.168 1
1 668 . 14 1 1 A 66 66 ALA H H 93 8.040 7.585 0.455 1
1 669 . 14 1 1 A 66 66 ALA HA H 93 4.210 4.320 -0.110 1
1 673 . 14 1 1 A 66 66 ALA C C 93 174.580 176.733 -2.153 1
1 674 . 14 1 1 A 66 66 ALA CA C 93 53.020 52.043 0.977 1
1 675 . 14 1 1 A 66 66 ALA CB C 93 19.760 20.083 -0.323 1
1 676 . 14 1 1 A 66 66 ALA N N 93 124.050 122.362 1.688 1
1 677 . 14 1 1 A 67 67 GLN H H 94 8.320 8.774 -0.454 1
1 678 . 14 1 1 A 67 67 GLN HA H 94 4.190 4.671 -0.481 1
1 685 . 14 1 1 A 67 67 GLN C C 94 172.780 173.778 -0.998 1
1 686 . 14 1 1 A 67 67 GLN CA C 94 56.750 54.595 2.155 1
1 687 . 14 1 1 A 67 67 GLN CB C 94 29.100 32.051 -2.951 1
1 689 . 14 1 1 A 67 67 GLN N N 94 117.930 118.053 -0.123 1
1 691 . 14 1 1 A 68 68 LEU H H 95 7.730 8.329 -0.599 1
1 692 . 14 1 1 A 68 68 LEU HA H 95 4.360 4.412 -0.052 1
1 702 . 14 1 1 A 68 68 LEU C C 95 174.270 177.175 -2.905 1
1 703 . 14 1 1 A 68 68 LEU CA C 95 54.970 55.241 -0.271 1
1 704 . 14 1 1 A 68 68 LEU CB C 95 43.120 43.326 -0.206 1
1 708 . 14 1 1 A 68 68 LEU N N 95 120.470 122.868 -2.398 1
1 709 . 14 1 1 A 69 69 ARG H H 96 8.600 8.667 -0.067 1
1 710 . 14 1 1 A 69 69 ARG HA H 96 4.230 4.457 -0.227 1
1 718 . 14 1 1 A 69 69 ARG C C 96 171.700 176.232 -4.532 1
1 719 . 14 1 1 A 69 69 ARG CA C 96 56.570 56.306 0.264 1
1 720 . 14 1 1 A 69 69 ARG CB C 96 30.660 30.669 -0.009 1
1 723 . 14 1 1 A 69 69 ARG N N 96 121.670 123.610 -1.940 1
1 725 . 14 1 1 A 70 70 ARG H H 97 7.800 8.654 -0.854 1
1 726 . 14 1 1 A 70 70 ARG HA H 97 5.170 5.195 -0.025 1
1 734 . 14 1 1 A 70 70 ARG C C 97 172.120 173.340 -1.220 1
1 735 . 14 1 1 A 70 70 ARG CA C 97 55.260 54.657 0.603 1
1 736 . 14 1 1 A 70 70 ARG CB C 97 34.040 34.140 -0.100 1
1 739 . 14 1 1 A 70 70 ARG N N 97 120.130 121.127 -0.997 1
1 741 . 14 1 1 A 71 71 THR H H 98 8.610 8.170 0.440 1
1 742 . 14 1 1 A 71 71 THR HA H 98 4.600 5.189 -0.589 1
1 747 . 14 1 1 A 71 71 THR C C 98 169.250 173.528 -4.278 1
1 748 . 14 1 1 A 71 71 THR CA C 98 62.030 61.397 0.633 1
1 749 . 14 1 1 A 71 71 THR CB C 98 71.970 71.981 -0.011 1
1 751 . 14 1 1 A 71 71 THR N N 98 118.550 113.848 4.702 1
1 752 . 14 1 1 A 72 72 ILE H H 99 8.520 8.706 -0.186 1
1 753 . 14 1 1 A 72 72 ILE HA H 99 5.080 5.107 -0.027 1
1 763 . 14 1 1 A 72 72 ILE C C 99 170.930 172.947 -2.017 1
1 764 . 14 1 1 A 72 72 ILE CA C 99 59.370 59.346 0.024 1
1 765 . 14 1 1 A 72 72 ILE CB C 99 42.140 42.423 -0.283 1
1 769 . 14 1 1 A 72 72 ILE N N 99 125.230 122.865 2.365 1
1 770 . 14 1 1 A 73 73 GLU H H 100 8.860 8.700 0.160 1
1 771 . 14 1 1 A 73 73 GLU HA H 100 4.670 5.117 -0.447 1
1 776 . 14 1 1 A 73 73 GLU C C 100 172.200 174.885 -2.685 1
1 777 . 14 1 1 A 73 73 GLU CA C 100 55.840 54.923 0.917 1
1 778 . 14 1 1 A 73 73 GLU CB C 100 34.410 34.316 0.094 1
1 780 . 14 1 1 A 73 73 GLU N N 100 125.680 125.689 -0.009 1
1 781 . 14 1 1 A 74 74 CYS H H 101 8.830 9.066 -0.236 1
1 782 . 14 1 1 A 74 74 CYS HA H 101 5.790 5.583 0.207 1
1 785 . 14 1 1 A 74 74 CYS C C 101 170.360 172.495 -2.135 1
1 786 . 14 1 1 A 74 74 CYS CA C 101 55.010 54.495 0.515 1
1 787 . 14 1 1 A 74 74 CYS CB C 101 45.320 45.860 -0.540 1
1 788 . 14 1 1 A 74 74 CYS N N 101 119.260 117.026 2.234 1
1 789 . 14 1 1 A 75 75 CYS H H 102 9.130 8.573 0.557 1
1 790 . 14 1 1 A 75 75 CYS HA H 102 5.000 5.235 -0.235 1
1 793 . 14 1 1 A 75 75 CYS C C 102 170.670 171.882 -1.212 1
1 794 . 14 1 1 A 75 75 CYS CA C 102 56.180 55.494 0.686 1
1 795 . 14 1 1 A 75 75 CYS CB C 102 46.090 46.278 -0.188 1
1 796 . 14 1 1 A 75 75 CYS N N 102 116.460 118.820 -2.360 1
1 797 . 14 1 1 A 76 76 ARG H H 103 9.240 9.048 0.192 1
1 798 . 14 1 1 A 76 76 ARG HA H 103 4.800 4.608 0.192 1
1 806 . 14 1 1 A 76 76 ARG C C 103 172.120 174.702 -2.582 1
1 807 . 14 1 1 A 76 76 ARG CA C 103 56.230 55.032 1.198 1
1 808 . 14 1 1 A 76 76 ARG CB C 103 32.610 29.951 2.659 1
1 811 . 14 1 1 A 76 76 ARG N N 103 122.520 125.337 -2.817 1
1 813 . 14 1 1 A 77 77 THR H H 104 7.440 7.696 -0.256 1
1 814 . 14 1 1 A 77 77 THR HA H 104 4.600 5.160 -0.560 1
1 819 . 14 1 1 A 77 77 THR C C 104 171.890 173.627 -1.737 1
1 820 . 14 1 1 A 77 77 THR CA C 104 61.270 59.532 1.738 1
1 821 . 14 1 1 A 77 77 THR CB C 104 72.490 71.902 0.588 1
1 823 . 14 1 1 A 77 77 THR N N 104 109.730 112.072 -2.342 1
1 824 . 14 1 1 A 78 78 ASN H H 105 8.590 8.733 -0.143 1
1 825 . 14 1 1 A 78 78 ASN HA H 105 4.790 4.665 0.125 1
1 830 . 14 1 1 A 78 78 ASN C C 105 174.150 175.284 -1.134 1
1 831 . 14 1 1 A 78 78 ASN CA C 105 55.870 54.072 1.798 1
1 832 . 14 1 1 A 78 78 ASN CB C 105 39.260 38.236 1.024 1
1 833 . 14 1 1 A 78 78 ASN N N 105 119.360 119.466 -0.106 1
1 835 . 14 1 1 A 79 79 LEU H H 106 9.980 8.811 1.169 1
1 836 . 14 1 1 A 79 79 LEU HA H 106 3.680 3.942 -0.262 1
1 846 . 14 1 1 A 79 79 LEU C C 106 175.050 177.524 -2.474 1
1 847 . 14 1 1 A 79 79 LEU CA C 106 56.790 56.027 0.763 1
1 848 . 14 1 1 A 79 79 LEU CB C 106 38.920 39.333 -0.413 1
1 852 . 14 1 1 A 79 79 LEU N N 106 118.230 117.753 0.477 1
1 853 . 14 1 1 A 80 80 CYS H H 107 8.250 8.007 0.243 1
1 854 . 14 1 1 A 80 80 CYS HA H 107 4.320 4.359 -0.039 1
1 857 . 14 1 1 A 80 80 CYS C C 107 172.470 175.933 -3.463 1
1 858 . 14 1 1 A 80 80 CYS CA C 107 58.370 58.785 -0.415 1
1 859 . 14 1 1 A 80 80 CYS CB C 107 46.090 42.160 3.930 1
1 860 . 14 1 1 A 80 80 CYS N N 107 115.460 116.629 -1.169 1
1 861 . 14 1 1 A 81 81 ASN H H 108 8.590 7.892 0.698 1
1 862 . 14 1 1 A 81 81 ASN HA H 108 4.430 4.581 -0.151 1
1 867 . 14 1 1 A 81 81 ASN C C 108 172.210 177.781 -5.571 1
1 868 . 14 1 1 A 81 81 ASN CA C 108 53.320 55.518 -2.198 1
1 869 . 14 1 1 A 81 81 ASN CB C 108 37.290 38.337 -1.047 1
1 870 . 14 1 1 A 81 81 ASN N N 108 118.040 120.436 -2.396 1
1 872 . 14 1 1 A 82 82 GLN H H 109 7.490 7.832 -0.342 1
1 873 . 14 1 1 A 82 82 GLN HA H 109 3.380 3.544 -0.164 1
1 880 . 14 1 1 A 82 82 GLN C C 109 172.300 176.850 -4.550 1
1 881 . 14 1 1 A 82 82 GLN CA C 109 58.940 58.209 0.731 1
1 882 . 14 1 1 A 82 82 GLN CB C 109 28.770 27.790 0.980 1
1 884 . 14 1 1 A 82 82 GLN N N 109 121.350 120.229 1.121 1
1 886 . 14 1 1 A 83 83 TYR H H 110 7.830 7.660 0.170 1
1 887 . 14 1 1 A 83 83 TYR HA H 110 4.590 4.657 -0.067 1
1 892 . 14 1 1 A 83 83 TYR CA C 110 56.490 57.476 -0.986 1
1 893 . 14 1 1 A 83 83 TYR CB C 110 38.400 38.065 0.335 1
1 894 . 14 1 1 A 83 83 TYR N N 110 114.600 116.449 -1.849 1
1 895 . 14 1 1 A 84 84 LEU H H 111 6.610 7.384 -0.774 1
1 896 . 14 1 1 A 84 84 LEU HA H 111 4.170 5.012 -0.842 1
1 905 . 14 1 1 A 84 84 LEU C C 111 172.880 174.606 -1.726 1
1 906 . 14 1 1 A 84 84 LEU CA C 111 55.250 53.584 1.666 1
1 907 . 14 1 1 A 84 84 LEU CB C 111 43.400 44.774 -1.374 1
1 911 . 14 1 1 A 84 84 LEU N N 111 120.140 122.055 -1.915 1
1 912 . 14 1 1 A 85 85 GLN H H 112 8.780 8.930 -0.150 1
1 913 . 14 1 1 A 85 85 GLN HA H 112 4.570 4.863 -0.293 1
1 920 . 14 1 1 A 85 85 GLN C C 112 169.480 174.481 -5.001 1
1 921 . 14 1 1 A 85 85 GLN CA C 112 53.110 52.552 0.558 1
1 922 . 14 1 1 A 85 85 GLN CB C 112 30.000 30.321 -0.321 1
1 924 . 14 1 1 A 85 85 GLN N N 112 122.790 127.588 -4.798 1
1 926 . 14 1 1 A 86 86 PRO HA H 113 4.400 5.010 -0.610 1
1 931 . 14 1 1 A 86 86 PRO CA C 113 63.040 62.759 0.281 1
1 932 . 14 1 1 A 86 86 PRO CB C 113 32.400 32.252 0.148 1
1 935 . 14 1 1 A 87 87 THR H H 114 8.180 8.547 -0.367 1
1 936 . 14 1 1 A 87 87 THR HA H 114 4.400 5.020 -0.620 1
1 941 . 14 1 1 A 87 87 THR C C 114 172.180 173.294 -1.114 1
1 942 . 14 1 1 A 87 87 THR CA C 114 60.960 59.733 1.227 1
1 943 . 14 1 1 A 87 87 THR CB C 114 71.290 72.124 -0.834 1
1 945 . 14 1 1 A 87 87 THR N N 114 111.930 112.601 -0.671 1
1 946 . 14 1 1 A 88 88 LEU H H 115 8.580 8.601 -0.021 1
1 947 . 14 1 1 A 88 88 LEU HA H 115 4.300 4.782 -0.482 1
1 956 . 14 1 1 A 88 88 LEU C C 115 171.740 174.737 -2.997 1
1 957 . 14 1 1 A 88 88 LEU CA C 115 53.230 53.733 -0.503 1
1 958 . 14 1 1 A 88 88 LEU CB C 115 41.900 41.094 0.806 1
1 962 . 14 1 1 A 88 88 LEU N N 115 125.290 124.594 0.696 1
1 963 . 14 1 1 A 89 89 PRO HA H 116 4.630 4.635 -0.005 1
1 970 . 14 1 1 A 89 89 PRO CA C 116 61.580 61.609 -0.029 1
1 971 . 14 1 1 A 89 89 PRO CB C 116 30.980 31.617 -0.637 1
1 974 . 14 1 1 A 90 90 PRO HA H 117 4.350 4.513 -0.163 1
1 977 . 14 1 1 A 90 90 PRO CA C 117 63.010 62.651 0.359 1
1 978 . 14 1 1 A 90 90 PRO CB C 117 32.300 32.051 0.249 1
1 981 . 14 1 1 A 91 91 VAL H H 118 8.190 8.468 -0.278 1
1 982 . 14 1 1 A 91 91 VAL HA H 118 3.900 4.455 -0.555 1
1 990 . 14 1 1 A 91 91 VAL C C 118 173.270 175.905 -2.635 1
1 991 . 14 1 1 A 91 91 VAL CA C 118 62.890 62.855 0.035 1
1 992 . 14 1 1 A 91 91 VAL CB C 118 32.980 32.452 0.528 1
1 994 . 14 1 1 A 91 91 VAL N N 118 120.460 122.967 -2.507 1
1 995 . 14 1 1 A 92 92 VAL H H 119 8.180 8.541 -0.361 1
1 996 . 14 1 1 A 92 92 VAL HA H 119 4.040 4.752 -0.712 1
1 1004 . 14 1 1 A 92 92 VAL C C 119 172.960 173.662 -0.702 1
1 1005 . 14 1 1 A 92 92 VAL CA C 119 62.250 60.337 1.913 1
1 1006 . 14 1 1 A 92 92 VAL CB C 119 33.280 35.322 -2.042 1
1 1008 . 14 1 1 A 92 92 VAL N N 119 125.030 121.804 3.226 1
1 1009 . 14 1 1 A 93 93 ILE H H 120 8.220 8.375 -0.155 1
1 1010 . 14 1 1 A 93 93 ILE HA H 120 4.110 4.359 -0.249 1
1 1015 . 14 1 1 A 93 93 ILE C C 120 173.440 175.711 -2.271 1
1 1016 . 14 1 1 A 93 93 ILE CA C 120 61.050 59.882 1.168 1
1 1017 . 14 1 1 A 93 93 ILE CB C 120 39.030 38.358 0.672 1
1 1021 . 14 1 1 A 93 93 ILE N N 120 125.690 127.296 -1.606 1
1 1022 . 14 1 1 A 94 94 GLY H H 121 8.190 8.558 -0.368 1
1 1023 . 14 1 1 A 94 94 GLY HA2 H 121 4.050 4.102 -0.052 1
1 1024 . 14 1 1 A 94 94 GLY HA3 H 121 3.940 4.107 -0.167 1
1 1025 . 14 1 1 A 94 94 GLY C C 121 169.080 172.546 -3.466 1
1 1026 . 14 1 1 A 94 94 GLY CA C 121 44.850 44.267 0.583 1
1 1027 . 14 1 1 A 94 94 GLY N N 121 113.150 117.249 -4.099 1
1 1028 . 14 1 1 A 95 95 PRO HA H 122 4.270 4.598 -0.328 1
1 1032 . 14 1 1 A 95 95 PRO CA C 122 63.340 62.924 0.416 1
1 1033 . 14 1 1 A 95 95 PRO CB C 122 32.160 32.143 0.017 1
1 1036 . 14 1 1 A 96 96 PHE H H 123 8.140 8.586 -0.446 1
1 1037 . 14 1 1 A 96 96 PHE HA H 123 4.510 4.944 -0.434 1
1 1040 . 14 1 1 A 96 96 PHE C C 123 172.700 175.738 -3.038 1
1 1041 . 14 1 1 A 96 96 PHE CA C 123 58.040 57.680 0.360 1
1 1042 . 14 1 1 A 96 96 PHE CB C 123 39.710 40.796 -1.086 1
1 1043 . 14 1 1 A 96 96 PHE N N 123 119.410 120.607 -1.197 1
1 1044 . 14 1 1 A 97 97 PHE H H 124 8.000 8.600 -0.600 1
1 1045 . 14 1 1 A 97 97 PHE HA H 124 4.490 4.953 -0.463 1
1 1048 . 14 1 1 A 97 97 PHE C C 124 172.140 174.397 -2.257 1
1 1049 . 14 1 1 A 97 97 PHE CA C 124 58.000 55.812 2.188 1
1 1050 . 14 1 1 A 97 97 PHE CB C 124 40.140 38.651 1.489 1
1 1051 . 14 1 1 A 97 97 PHE N N 124 122.180 117.885 4.295 1
1 1052 . 14 1 1 A 98 98 ASP H H 125 8.100 8.364 -0.264 1
1 1053 . 14 1 1 A 98 98 ASP HA H 125 4.400 4.788 -0.388 1
1 1056 . 14 1 1 A 98 98 ASP C C 125 173.870 176.185 -2.315 1
1 1057 . 14 1 1 A 98 98 ASP CA C 125 54.470 53.029 1.441 1
1 1058 . 14 1 1 A 98 98 ASP CB C 125 41.390 41.565 -0.175 1
1 1059 . 14 1 1 A 98 98 ASP N N 125 123.000 121.863 1.137 1
1 1060 . 14 1 1 A 99 99 GLY H H 126 8.010 8.005 0.005 1
1 1061 . 14 1 1 A 99 99 GLY HA3 H 126 3.860 4.081 -0.221 1
1 1062 . 14 1 1 A 99 99 GLY C C 126 171.640 172.939 -1.299 1
1 1063 . 14 1 1 A 99 99 GLY CA C 126 45.860 44.733 1.127 1
1 1064 . 14 1 1 A 99 99 GLY N N 126 109.280 110.031 -0.751 1
1 1065 . 14 1 1 A 100 100 SER H H 127 8.110 8.263 -0.153 1
1 1066 . 14 1 1 A 100 100 SER HA H 127 4.320 4.648 -0.328 1
1 1069 . 14 1 1 A 100 100 SER C C 127 171.520 174.200 -2.680 1
1 1070 . 14 1 1 A 100 100 SER CA C 127 59.190 57.650 1.540 1
1 1071 . 14 1 1 A 100 100 SER CB C 127 64.240 63.914 0.326 1
1 1072 . 14 1 1 A 100 100 SER N N 127 115.760 114.712 1.048 1
1 1073 . 14 1 1 A 101 101 ILE H H 128 7.960 8.342 -0.382 1
1 1074 . 14 1 1 A 101 101 ILE HA H 128 4.110 4.362 -0.252 1
1 1084 . 14 1 1 A 101 101 ILE C C 128 172.590 175.015 -2.425 1
1 1085 . 14 1 1 A 101 101 ILE CA C 128 61.800 60.463 1.337 1
1 1086 . 14 1 1 A 101 101 ILE CB C 128 38.820 38.984 -0.164 1
1 1090 . 14 1 1 A 101 101 ILE N N 128 122.050 125.095 -3.045 1
1 1 . 15 1 1 A 2 2 PRO HA H 29 4.310 4.572 -0.262 1
1 8 . 15 1 1 A 2 2 PRO CA C 29 64.380 63.236 1.144 1
1 9 . 15 1 1 A 2 2 PRO CB C 29 32.300 31.909 0.391 1
1 12 . 15 1 1 A 3 3 GLU H H 30 9.010 8.757 0.253 1
1 13 . 15 1 1 A 3 3 GLU HA H 30 4.170 4.727 -0.557 1
1 18 . 15 1 1 A 3 3 GLU C C 30 173.730 174.234 -0.504 1
1 19 . 15 1 1 A 3 3 GLU CA C 30 57.560 55.212 2.348 1
1 20 . 15 1 1 A 3 3 GLU CB C 30 29.400 30.372 -0.972 1
1 22 . 15 1 1 A 3 3 GLU N N 30 118.790 123.825 -5.035 1
1 23 . 15 1 1 A 4 4 ASP H H 31 7.940 8.705 -0.765 1
1 24 . 15 1 1 A 4 4 ASP HA H 31 4.560 4.692 -0.132 1
1 27 . 15 1 1 A 4 4 ASP C C 31 173.600 175.287 -1.687 1
1 28 . 15 1 1 A 4 4 ASP CA C 31 54.940 53.939 1.001 1
1 29 . 15 1 1 A 4 4 ASP CB C 31 41.650 39.590 2.060 1
1 30 . 15 1 1 A 4 4 ASP N N 31 119.920 123.890 -3.970 1
1 31 . 15 1 1 A 5 5 THR H H 32 7.810 7.880 -0.070 1
1 32 . 15 1 1 A 5 5 THR HA H 32 4.160 4.722 -0.562 1
1 37 . 15 1 1 A 5 5 THR C C 32 171.630 173.581 -1.951 1
1 38 . 15 1 1 A 5 5 THR CA C 32 62.410 61.443 0.967 1
1 39 . 15 1 1 A 5 5 THR CB C 32 70.040 71.534 -1.494 1
1 41 . 15 1 1 A 5 5 THR N N 32 113.570 116.463 -2.893 1
1 42 . 15 1 1 A 6 6 LEU H H 33 8.100 8.921 -0.821 1
1 43 . 15 1 1 A 6 6 LEU HA H 33 4.490 4.703 -0.213 1
1 53 . 15 1 1 A 6 6 LEU C C 33 172.440 175.018 -2.578 1
1 54 . 15 1 1 A 6 6 LEU CA C 33 53.430 53.429 0.001 1
1 55 . 15 1 1 A 6 6 LEU CB C 33 41.900 41.429 0.471 1
1 59 . 15 1 1 A 6 6 LEU N N 33 125.790 128.508 -2.718 1
1 60 . 15 1 1 A 7 7 PRO HA H 34 4.130 4.528 -0.398 1
1 67 . 15 1 1 A 7 7 PRO CA C 34 63.660 62.964 0.696 1
1 68 . 15 1 1 A 7 7 PRO CB C 34 31.970 31.932 0.038 1
1 71 . 15 1 1 A 8 8 PHE H H 35 7.610 8.389 -0.779 1
1 72 . 15 1 1 A 8 8 PHE HA H 35 4.580 4.828 -0.248 1
1 77 . 15 1 1 A 8 8 PHE C C 35 171.110 174.564 -3.454 1
1 78 . 15 1 1 A 8 8 PHE CA C 35 57.690 55.984 1.706 1
1 79 . 15 1 1 A 8 8 PHE CB C 35 40.850 38.667 2.183 1
1 80 . 15 1 1 A 8 8 PHE N N 35 117.670 117.681 -0.011 1
1 81 . 15 1 1 A 9 9 LEU H H 36 8.310 7.809 0.501 1
1 82 . 15 1 1 A 9 9 LEU HA H 36 4.420 4.783 -0.363 1
1 92 . 15 1 1 A 9 9 LEU C C 36 171.050 174.028 -2.978 1
1 93 . 15 1 1 A 9 9 LEU CA C 36 54.770 54.465 0.305 1
1 94 . 15 1 1 A 9 9 LEU CB C 36 44.230 45.364 -1.134 1
1 98 . 15 1 1 A 9 9 LEU N N 36 125.150 121.961 3.189 1
1 99 . 15 1 1 A 10 10 LYS H H 37 8.130 9.358 -1.228 1
1 100 . 15 1 1 A 10 10 LYS HA H 37 5.110 5.294 -0.184 1
1 109 . 15 1 1 A 10 10 LYS C C 37 172.470 175.256 -2.786 1
1 110 . 15 1 1 A 10 10 LYS CA C 37 54.730 55.091 -0.361 1
1 111 . 15 1 1 A 10 10 LYS CB C 37 35.010 34.270 0.740 1
1 115 . 15 1 1 A 10 10 LYS N N 37 123.550 128.093 -4.543 1
1 116 . 15 1 1 A 11 11 CYS H H 38 9.240 8.805 0.435 1
1 117 . 15 1 1 A 11 11 CYS HA H 38 4.890 5.461 -0.571 1
1 120 . 15 1 1 A 11 11 CYS C C 38 171.750 171.900 -0.150 1
1 121 . 15 1 1 A 11 11 CYS CA C 38 51.950 54.594 -2.644 1
1 122 . 15 1 1 A 11 11 CYS CB C 38 41.360 45.614 -4.254 1
1 123 . 15 1 1 A 11 11 CYS N N 38 121.580 123.785 -2.205 1
1 124 . 15 1 1 A 12 12 TYR H H 39 8.830 8.888 -0.058 1
1 125 . 15 1 1 A 12 12 TYR HA H 39 4.780 4.744 0.036 1
1 132 . 15 1 1 A 12 12 TYR C C 39 172.260 174.724 -2.464 1
1 133 . 15 1 1 A 12 12 TYR CA C 39 58.500 58.813 -0.313 1
1 134 . 15 1 1 A 12 12 TYR CB C 39 40.900 39.479 1.421 1
1 135 . 15 1 1 A 12 12 TYR N N 39 122.390 125.582 -3.192 1
1 136 . 15 1 1 A 13 13 CYS H H 40 7.690 7.798 -0.108 1
1 137 . 15 1 1 A 13 13 CYS HA H 40 4.420 5.739 -1.319 1
1 140 . 15 1 1 A 13 13 CYS CA C 40 53.850 54.081 -0.231 1
1 141 . 15 1 1 A 13 13 CYS CB C 40 48.920 45.129 3.791 1
1 142 . 15 1 1 A 14 14 SER H H 41 7.850 8.575 -0.725 1
1 143 . 15 1 1 A 14 14 SER HA H 41 4.160 4.922 -0.762 1
1 146 . 15 1 1 A 14 14 SER CA C 41 58.450 57.266 1.184 1
1 147 . 15 1 1 A 14 14 SER CB C 41 63.840 66.442 -2.602 1
1 148 . 15 1 1 A 14 14 SER N N 41 117.020 119.592 -2.572 1
1 149 . 15 1 1 A 16 16 HIS HA H 43 4.880 4.824 0.056 1
1 152 . 15 1 1 A 16 16 HIS CA C 43 54.770 55.085 -0.315 1
1 153 . 15 1 1 A 16 16 HIS CB C 43 29.490 31.649 -2.159 1
1 154 . 15 1 1 A 17 17 CYS H H 44 8.560 8.674 -0.114 1
1 155 . 15 1 1 A 18 18 PRO HA H 45 4.660 4.579 0.081 1
1 160 . 15 1 1 A 18 18 PRO CA C 45 62.500 62.800 -0.300 1
1 161 . 15 1 1 A 18 18 PRO CB C 45 33.140 32.830 0.310 1
1 164 . 15 1 1 A 19 19 ASP H H 46 8.800 8.649 0.151 1
1 165 . 15 1 1 A 19 19 ASP HA H 46 4.250 4.307 -0.057 1
1 168 . 15 1 1 A 19 19 ASP C C 46 173.430 176.472 -3.042 1
1 169 . 15 1 1 A 19 19 ASP CA C 46 57.190 56.869 0.321 1
1 170 . 15 1 1 A 19 19 ASP CB C 46 40.720 40.573 0.147 1
1 171 . 15 1 1 A 19 19 ASP N N 46 120.170 121.937 -1.767 1
1 172 . 15 1 1 A 20 20 ASP H H 47 8.050 8.274 -0.224 1
1 173 . 15 1 1 A 20 20 ASP HA H 47 4.510 4.640 -0.130 1
1 176 . 15 1 1 A 20 20 ASP C C 47 173.500 175.841 -2.341 1
1 177 . 15 1 1 A 20 20 ASP CA C 47 52.840 53.117 -0.277 1
1 178 . 15 1 1 A 20 20 ASP CB C 47 39.980 39.726 0.254 1
1 179 . 15 1 1 A 20 20 ASP N N 47 114.670 115.081 -0.411 1
1 180 . 15 1 1 A 21 21 ALA H H 48 7.350 7.290 0.060 1
1 181 . 15 1 1 A 21 21 ALA HA H 48 4.280 4.288 -0.008 1
1 185 . 15 1 1 A 21 21 ALA C C 48 174.490 176.373 -1.883 1
1 186 . 15 1 1 A 21 21 ALA CA C 48 53.430 52.283 1.147 1
1 187 . 15 1 1 A 21 21 ALA CB C 48 20.870 20.254 0.616 1
1 188 . 15 1 1 A 21 21 ALA N N 48 122.660 122.369 0.291 1
1 189 . 15 1 1 A 22 22 ILE H H 49 7.960 8.148 -0.188 1
1 190 . 15 1 1 A 22 22 ILE HA H 49 4.240 4.573 -0.333 1
1 199 . 15 1 1 A 22 22 ILE C C 49 173.300 176.259 -2.959 1
1 200 . 15 1 1 A 22 22 ILE CA C 49 60.230 59.557 0.673 1
1 201 . 15 1 1 A 22 22 ILE CB C 49 40.280 40.302 -0.022 1
1 205 . 15 1 1 A 22 22 ILE N N 49 119.550 120.072 -0.522 1
1 206 . 15 1 1 A 23 23 ASN H H 50 9.280 9.100 0.180 1
1 207 . 15 1 1 A 23 23 ASN HA H 50 4.290 4.459 -0.169 1
1 212 . 15 1 1 A 23 23 ASN CA C 50 54.660 53.877 0.783 1
1 213 . 15 1 1 A 23 23 ASN CB C 50 37.620 36.175 1.445 1
1 214 . 15 1 1 A 23 23 ASN N N 50 125.470 125.172 0.298 1
1 216 . 15 1 1 A 24 24 ASN H H 51 8.850 8.482 0.368 1
1 217 . 15 1 1 A 24 24 ASN HA H 51 4.070 4.075 -0.005 1
1 222 . 15 1 1 A 24 24 ASN C C 51 170.660 173.765 -3.105 1
1 223 . 15 1 1 A 24 24 ASN CA C 51 56.080 54.412 1.668 1
1 224 . 15 1 1 A 24 24 ASN CB C 51 37.430 36.801 0.629 1
1 226 . 15 1 1 A 25 25 THR H H 52 7.190 7.509 -0.319 1
1 227 . 15 1 1 A 25 25 THR HA H 52 5.370 5.061 0.309 1
1 232 . 15 1 1 A 25 25 THR C C 52 169.910 172.403 -2.493 1
1 233 . 15 1 1 A 25 25 THR CA C 52 59.890 59.965 -0.075 1
1 234 . 15 1 1 A 25 25 THR CB C 52 73.940 72.536 1.404 1
1 236 . 15 1 1 A 25 25 THR N N 52 105.820 106.197 -0.377 1
1 237 . 15 1 1 A 26 26 CYS H H 53 8.960 8.809 0.151 1
1 238 . 15 1 1 A 26 26 CYS HA H 53 5.000 5.199 -0.199 1
1 241 . 15 1 1 A 26 26 CYS C C 53 168.780 171.345 -2.565 1
1 242 . 15 1 1 A 26 26 CYS CA C 53 52.560 53.643 -1.083 1
1 243 . 15 1 1 A 26 26 CYS CB C 53 48.650 46.349 2.301 1
1 244 . 15 1 1 A 26 26 CYS N N 53 116.070 118.840 -2.770 1
1 245 . 15 1 1 A 27 27 ILE H H 54 8.530 8.493 0.037 1
1 246 . 15 1 1 A 27 27 ILE HA H 54 5.210 4.867 0.343 1
1 256 . 15 1 1 A 27 27 ILE C C 54 173.400 174.271 -0.871 1
1 257 . 15 1 1 A 27 27 ILE CA C 54 59.200 60.361 -1.161 1
1 258 . 15 1 1 A 27 27 ILE CB C 54 40.220 40.716 -0.496 1
1 262 . 15 1 1 A 27 27 ILE N N 54 120.170 120.564 -0.394 1
1 263 . 15 1 1 A 28 28 THR H H 55 9.200 8.862 0.338 1
1 264 . 15 1 1 A 28 28 THR HA H 55 4.800 5.133 -0.333 1
1 269 . 15 1 1 A 28 28 THR C C 55 168.370 173.026 -4.656 1
1 270 . 15 1 1 A 28 28 THR CA C 55 60.060 59.896 0.164 1
1 271 . 15 1 1 A 28 28 THR CB C 55 70.490 71.410 -0.920 1
1 273 . 15 1 1 A 28 28 THR N N 55 120.750 120.631 0.119 1
1 274 . 15 1 1 A 29 29 ASN H H 56 8.000 8.490 -0.490 1
1 275 . 15 1 1 A 29 29 ASN HA H 56 4.920 4.795 0.125 1
1 280 . 15 1 1 A 29 29 ASN C C 56 172.880 175.571 -2.691 1
1 281 . 15 1 1 A 29 29 ASN CA C 56 52.620 51.621 0.999 1
1 282 . 15 1 1 A 29 29 ASN CB C 56 38.920 38.189 0.731 1
1 283 . 15 1 1 A 29 29 ASN N N 56 120.880 123.433 -2.553 1
1 285 . 15 1 1 A 30 30 GLY H H 57 8.510 7.507 1.003 1
1 286 . 15 1 1 A 30 30 GLY HA2 H 57 4.140 3.761 0.379 1
1 287 . 15 1 1 A 30 30 GLY HA3 H 57 3.960 3.765 0.195 1
1 288 . 15 1 1 A 30 30 GLY C C 57 169.020 172.559 -3.539 1
1 289 . 15 1 1 A 30 30 GLY CA C 57 45.800 44.767 1.033 1
1 290 . 15 1 1 A 30 30 GLY N N 57 111.380 109.309 2.071 1
1 291 . 15 1 1 A 31 31 HIS H H 58 8.560 7.901 0.659 1
1 292 . 15 1 1 A 31 31 HIS HA H 58 4.710 5.240 -0.530 1
1 295 . 15 1 1 A 31 31 HIS C C 58 171.200 173.886 -2.686 1
1 296 . 15 1 1 A 31 31 HIS CA C 58 56.140 54.555 1.585 1
1 297 . 15 1 1 A 31 31 HIS CB C 58 34.650 33.914 0.736 1
1 298 . 15 1 1 A 31 31 HIS N N 58 120.870 117.494 3.376 1
1 299 . 15 1 1 A 32 32 CYS H H 59 8.710 8.364 0.346 1
1 300 . 15 1 1 A 32 32 CYS HA H 59 5.700 5.315 0.385 1
1 303 . 15 1 1 A 32 32 CYS C C 59 173.470 173.398 0.072 1
1 304 . 15 1 1 A 32 32 CYS CA C 59 52.340 55.050 -2.710 1
1 305 . 15 1 1 A 32 32 CYS CB C 59 36.950 44.456 -7.506 1
1 306 . 15 1 1 A 32 32 CYS N N 59 117.290 119.245 -1.955 1
1 307 . 15 1 1 A 33 33 PHE H H 60 8.700 8.443 0.257 1
1 308 . 15 1 1 A 33 33 PHE HA H 60 6.110 5.658 0.452 1
1 316 . 15 1 1 A 33 33 PHE C C 60 172.200 172.851 -0.651 1
1 317 . 15 1 1 A 33 33 PHE CA C 60 56.630 55.484 1.146 1
1 318 . 15 1 1 A 33 33 PHE CB C 60 44.830 42.325 2.505 1
1 319 . 15 1 1 A 33 33 PHE N N 60 116.070 120.146 -4.076 1
1 320 . 15 1 1 A 34 34 ALA H H 61 9.200 8.552 0.648 1
1 321 . 15 1 1 A 34 34 ALA HA H 61 5.000 4.912 0.088 1
1 325 . 15 1 1 A 34 34 ALA C C 61 171.610 175.750 -4.140 1
1 326 . 15 1 1 A 34 34 ALA CA C 61 52.320 51.339 0.981 1
1 327 . 15 1 1 A 34 34 ALA CB C 61 23.950 23.499 0.451 1
1 328 . 15 1 1 A 34 34 ALA N N 61 125.170 121.084 4.086 1
1 329 . 15 1 1 A 35 35 ILE H H 62 9.470 8.611 0.859 1
1 330 . 15 1 1 A 35 35 ILE HA H 62 5.350 4.918 0.432 1
1 340 . 15 1 1 A 35 35 ILE C C 62 170.850 173.307 -2.457 1
1 341 . 15 1 1 A 35 35 ILE CA C 62 59.260 59.520 -0.260 1
1 342 . 15 1 1 A 35 35 ILE CB C 62 43.660 42.356 1.304 1
1 346 . 15 1 1 A 35 35 ILE N N 62 120.630 119.388 1.242 1
1 347 . 15 1 1 A 36 36 ILE H H 63 8.500 8.792 -0.292 1
1 348 . 15 1 1 A 36 36 ILE HA H 63 5.240 5.217 0.023 1
1 358 . 15 1 1 A 36 36 ILE C C 63 170.510 173.058 -2.548 1
1 359 . 15 1 1 A 36 36 ILE CA C 63 59.130 59.243 -0.113 1
1 360 . 15 1 1 A 36 36 ILE CB C 63 41.670 42.484 -0.814 1
1 364 . 15 1 1 A 36 36 ILE N N 63 125.830 126.135 -0.305 1
1 365 . 15 1 1 A 37 37 GLU H H 64 8.450 8.762 -0.312 1
1 366 . 15 1 1 A 37 37 GLU HA H 64 5.010 4.912 0.098 1
1 371 . 15 1 1 A 37 37 GLU C C 64 171.410 174.484 -3.074 1
1 372 . 15 1 1 A 37 37 GLU CA C 64 54.830 55.170 -0.340 1
1 373 . 15 1 1 A 37 37 GLU CB C 64 34.320 34.010 0.310 1
1 375 . 15 1 1 A 37 37 GLU N N 64 124.570 127.034 -2.464 1
1 376 . 15 1 1 A 38 38 GLU H H 65 8.300 8.477 -0.177 1
1 377 . 15 1 1 A 38 38 GLU HA H 65 5.040 4.986 0.054 1
1 382 . 15 1 1 A 38 38 GLU C C 65 172.920 175.935 -3.015 1
1 383 . 15 1 1 A 38 38 GLU CA C 65 54.760 55.085 -0.325 1
1 384 . 15 1 1 A 38 38 GLU CB C 65 33.470 31.569 1.901 1
1 386 . 15 1 1 A 38 38 GLU N N 65 123.960 124.123 -0.163 1
1 387 . 15 1 1 A 39 39 ASP H H 66 8.470 8.275 0.195 1
1 388 . 15 1 1 A 39 39 ASP HA H 66 4.750 4.900 -0.150 1
1 391 . 15 1 1 A 39 39 ASP C C 66 174.940 177.134 -2.194 1
1 392 . 15 1 1 A 39 39 ASP CA C 66 52.890 52.554 0.336 1
1 393 . 15 1 1 A 39 39 ASP CB C 66 41.990 41.430 0.560 1
1 394 . 15 1 1 A 39 39 ASP N N 66 124.870 126.983 -2.113 1
1 395 . 15 1 1 A 40 40 ASP H H 67 8.380 8.759 -0.379 1
1 396 . 15 1 1 A 40 40 ASP HA H 67 4.310 4.271 0.039 1
1 399 . 15 1 1 A 40 40 ASP C C 67 174.210 177.370 -3.160 1
1 400 . 15 1 1 A 40 40 ASP CA C 67 56.350 56.655 -0.305 1
1 401 . 15 1 1 A 40 40 ASP CB C 67 40.510 40.445 0.065 1
1 402 . 15 1 1 A 40 40 ASP N N 67 116.220 118.594 -2.374 1
1 403 . 15 1 1 A 41 41 GLN H H 68 8.200 7.802 0.398 1
1 404 . 15 1 1 A 41 41 GLN HA H 68 4.380 4.374 0.006 1
1 411 . 15 1 1 A 41 41 GLN C C 68 173.740 176.430 -2.690 1
1 412 . 15 1 1 A 41 41 GLN CA C 68 55.590 55.617 -0.027 1
1 413 . 15 1 1 A 41 41 GLN CB C 68 29.780 29.461 0.319 1
1 415 . 15 1 1 A 41 41 GLN N N 68 117.190 116.686 0.504 1
1 417 . 15 1 1 A 42 42 GLY H H 69 8.000 8.216 -0.216 1
1 418 . 15 1 1 A 42 42 GLY HA2 H 69 3.630 3.911 -0.281 1
1 419 . 15 1 1 A 42 42 GLY HA3 H 69 4.140 3.912 0.228 1
1 420 . 15 1 1 A 42 42 GLY C C 69 171.650 174.294 -2.644 1
1 421 . 15 1 1 A 42 42 GLY CA C 69 45.730 45.713 0.017 1
1 422 . 15 1 1 A 42 42 GLY N N 69 108.130 108.555 -0.425 1
1 423 . 15 1 1 A 43 43 GLU H H 70 8.410 7.575 0.835 1
1 424 . 15 1 1 A 43 43 GLU HA H 70 4.450 4.571 -0.121 1
1 429 . 15 1 1 A 43 43 GLU C C 70 173.970 176.508 -2.538 1
1 430 . 15 1 1 A 43 43 GLU CA C 70 56.020 55.452 0.568 1
1 431 . 15 1 1 A 43 43 GLU CB C 70 30.300 31.140 -0.840 1
1 433 . 15 1 1 A 43 43 GLU N N 70 122.300 119.711 2.589 1
1 434 . 15 1 1 A 44 44 THR H H 71 8.620 8.495 0.125 1
1 435 . 15 1 1 A 44 44 THR HA H 71 5.210 5.202 0.008 1
1 440 . 15 1 1 A 44 44 THR C C 71 172.160 173.932 -1.772 1
1 441 . 15 1 1 A 44 44 THR CA C 71 61.600 60.790 0.810 1
1 442 . 15 1 1 A 44 44 THR CB C 71 71.000 70.125 0.875 1
1 444 . 15 1 1 A 44 44 THR N N 71 117.330 114.106 3.224 1
1 445 . 15 1 1 A 45 45 THR H H 72 8.760 8.641 0.119 1
1 446 . 15 1 1 A 45 45 THR HA H 72 4.500 5.062 -0.562 1
1 451 . 15 1 1 A 45 45 THR C C 72 169.600 173.562 -3.962 1
1 452 . 15 1 1 A 45 45 THR CA C 72 61.270 60.578 0.692 1
1 453 . 15 1 1 A 45 45 THR CB C 72 72.320 70.039 2.281 1
1 455 . 15 1 1 A 45 45 THR N N 72 117.840 117.484 0.356 1
1 456 . 15 1 1 A 46 46 LEU H H 73 8.400 9.126 -0.726 1
1 457 . 15 1 1 A 46 46 LEU HA H 73 5.250 5.087 0.163 1
1 464 . 15 1 1 A 46 46 LEU C C 73 173.150 175.664 -2.514 1
1 465 . 15 1 1 A 46 46 LEU CA C 73 54.300 53.575 0.725 1
1 466 . 15 1 1 A 46 46 LEU CB C 73 44.860 42.834 2.026 1
1 470 . 15 1 1 A 46 46 LEU N N 73 126.020 127.721 -1.701 1
1 471 . 15 1 1 A 47 47 ALA HA H 74 4.760 5.104 -0.344 1
1 475 . 15 1 1 A 47 47 ALA C C 74 172.740 175.463 -2.723 1
1 476 . 15 1 1 A 47 47 ALA CA C 74 51.440 50.912 0.528 1
1 477 . 15 1 1 A 47 47 ALA CB C 74 23.350 24.170 -0.820 1
1 478 . 15 1 1 A 48 48 SER H H 75 8.700 8.328 0.372 1
1 479 . 15 1 1 A 48 48 SER HA H 75 4.500 4.746 -0.246 1
1 482 . 15 1 1 A 48 48 SER C C 75 171.590 173.091 -1.501 1
1 483 . 15 1 1 A 48 48 SER CA C 75 57.740 56.390 1.350 1
1 484 . 15 1 1 A 48 48 SER CB C 75 65.700 66.459 -0.759 1
1 485 . 15 1 1 A 48 48 SER N N 75 111.400 112.840 -1.440 1
1 486 . 15 1 1 A 49 49 GLY H H 76 6.440 7.441 -1.001 1
1 487 . 15 1 1 A 49 49 GLY HA2 H 76 3.850 3.908 -0.058 1
1 488 . 15 1 1 A 49 49 GLY HA3 H 76 3.730 4.050 -0.320 1
1 489 . 15 1 1 A 49 49 GLY C C 76 167.890 171.587 -3.697 1
1 490 . 15 1 1 A 49 49 GLY CA C 76 47.420 45.501 1.919 1
1 491 . 15 1 1 A 49 49 GLY N N 76 105.480 105.625 -0.145 1
1 492 . 15 1 1 A 50 50 CYS H H 77 8.740 8.657 0.083 1
1 493 . 15 1 1 A 50 50 CYS HA H 77 4.950 5.463 -0.513 1
1 496 . 15 1 1 A 50 50 CYS C C 77 170.670 172.182 -1.512 1
1 497 . 15 1 1 A 50 50 CYS CA C 77 60.030 54.702 5.328 1
1 498 . 15 1 1 A 50 50 CYS CB C 77 46.100 43.757 2.343 1
1 499 . 15 1 1 A 50 50 CYS N N 77 118.960 119.052 -0.092 1
1 500 . 15 1 1 A 51 51 MET H H 78 9.240 9.233 0.007 1
1 501 . 15 1 1 A 51 51 MET HA H 78 4.760 4.950 -0.190 1
1 509 . 15 1 1 A 51 51 MET C C 78 171.990 175.940 -3.950 1
1 510 . 15 1 1 A 51 51 MET CA C 78 54.630 54.159 0.471 1
1 511 . 15 1 1 A 51 51 MET CB C 78 35.810 34.802 1.008 1
1 514 . 15 1 1 A 51 51 MET N N 78 122.340 126.418 -4.078 1
1 515 . 15 1 1 A 52 52 LYS H H 79 8.430 8.361 0.069 1
1 516 . 15 1 1 A 52 52 LYS HA H 79 4.160 4.198 -0.038 1
1 525 . 15 1 1 A 52 52 LYS C C 79 173.040 175.770 -2.730 1
1 526 . 15 1 1 A 52 52 LYS CA C 79 57.120 55.865 1.255 1
1 527 . 15 1 1 A 52 52 LYS CB C 79 33.720 32.764 0.956 1
1 531 . 15 1 1 A 52 52 LYS N N 79 125.030 123.936 1.094 1
1 532 . 15 1 1 A 53 53 TYR H H 80 8.400 8.213 0.187 1
1 533 . 15 1 1 A 53 53 TYR HA H 80 4.200 4.260 -0.060 1
1 536 . 15 1 1 A 53 53 TYR C C 80 173.370 175.172 -1.802 1
1 537 . 15 1 1 A 53 53 TYR CA C 80 59.910 59.178 0.732 1
1 538 . 15 1 1 A 53 53 TYR CB C 80 39.000 39.133 -0.133 1
1 539 . 15 1 1 A 53 53 TYR N N 80 121.420 120.713 0.707 1
1 540 . 15 1 1 A 54 54 GLU H H 81 8.490 8.470 0.020 1
1 541 . 15 1 1 A 54 54 GLU HA H 81 4.170 4.545 -0.375 1
1 545 . 15 1 1 A 54 54 GLU C C 81 173.240 176.570 -3.330 1
1 546 . 15 1 1 A 54 54 GLU CA C 81 56.440 56.596 -0.156 1
1 547 . 15 1 1 A 54 54 GLU CB C 81 30.860 32.403 -1.543 1
1 549 . 15 1 1 A 54 54 GLU N N 81 123.790 124.416 -0.626 1
1 550 . 15 1 1 A 55 55 GLY H H 82 7.200 7.413 -0.213 1
1 551 . 15 1 1 A 55 55 GLY HA2 H 82 4.050 3.758 0.292 1
1 552 . 15 1 1 A 55 55 GLY HA3 H 82 3.690 3.889 -0.199 1
1 553 . 15 1 1 A 55 55 GLY C C 82 171.520 174.636 -3.116 1
1 554 . 15 1 1 A 55 55 GLY CA C 82 45.680 45.166 0.514 1
1 555 . 15 1 1 A 55 55 GLY N N 82 108.400 107.267 1.133 1
1 556 . 15 1 1 A 56 56 SER H H 83 8.140 7.865 0.275 1
1 557 . 15 1 1 A 56 56 SER HA H 83 4.280 4.370 -0.090 1
1 560 . 15 1 1 A 56 56 SER C C 83 171.900 173.984 -2.084 1
1 561 . 15 1 1 A 56 56 SER CA C 83 59.270 59.669 -0.399 1
1 562 . 15 1 1 A 56 56 SER CB C 83 63.960 63.205 0.755 1
1 563 . 15 1 1 A 56 56 SER N N 83 114.650 116.919 -2.269 1
1 564 . 15 1 1 A 57 57 ASP H H 84 8.340 8.876 -0.536 1
1 565 . 15 1 1 A 57 57 ASP HA H 84 4.430 4.397 0.033 1
1 568 . 15 1 1 A 57 57 ASP C C 84 173.100 176.131 -3.031 1
1 569 . 15 1 1 A 57 57 ASP CA C 84 54.950 56.593 -1.643 1
1 570 . 15 1 1 A 57 57 ASP CB C 84 40.840 42.378 -1.538 1
1 571 . 15 1 1 A 57 57 ASP N N 84 121.230 127.583 -6.353 1
1 572 . 15 1 1 A 58 58 PHE H H 85 7.730 7.694 0.036 1
1 573 . 15 1 1 A 58 58 PHE HA H 85 4.260 4.756 -0.496 1
1 581 . 15 1 1 A 58 58 PHE C C 85 172.590 174.265 -1.675 1
1 582 . 15 1 1 A 58 58 PHE CA C 85 58.520 56.019 2.501 1
1 583 . 15 1 1 A 58 58 PHE CB C 85 39.840 39.209 0.631 1
1 584 . 15 1 1 A 58 58 PHE N N 85 118.920 114.394 4.526 1
1 585 . 15 1 1 A 59 59 GLN H H 86 7.790 8.285 -0.495 1
1 586 . 15 1 1 A 59 59 GLN HA H 86 4.070 4.860 -0.790 1
1 593 . 15 1 1 A 59 59 GLN C C 86 172.550 174.877 -2.327 1
1 594 . 15 1 1 A 59 59 GLN CA C 86 56.000 54.820 1.180 1
1 595 . 15 1 1 A 59 59 GLN CB C 86 30.600 29.785 0.815 1
1 597 . 15 1 1 A 59 59 GLN N N 86 120.280 120.153 0.127 1
1 599 . 15 1 1 A 60 60 CYS H H 87 8.100 8.952 -0.852 1
1 600 . 15 1 1 A 60 60 CYS HA H 87 4.140 4.987 -0.847 1
1 603 . 15 1 1 A 60 60 CYS C C 87 170.910 173.026 -2.116 1
1 604 . 15 1 1 A 60 60 CYS CA C 87 56.810 55.263 1.547 1
1 605 . 15 1 1 A 60 60 CYS CB C 87 40.780 43.548 -2.768 1
1 606 . 15 1 1 A 60 60 CYS N N 87 118.790 124.853 -6.063 1
1 607 . 15 1 1 A 61 61 LYS H H 88 7.610 7.629 -0.019 1
1 608 . 15 1 1 A 61 61 LYS HA H 88 4.280 4.493 -0.213 1
1 617 . 15 1 1 A 61 61 LYS C C 88 172.330 175.499 -3.169 1
1 618 . 15 1 1 A 61 61 LYS CA C 88 56.210 55.710 0.500 1
1 619 . 15 1 1 A 61 61 LYS CB C 88 34.210 33.743 0.467 1
1 623 . 15 1 1 A 61 61 LYS N N 88 120.330 119.587 0.743 1
1 624 . 15 1 1 A 62 62 ASP H H 89 8.180 8.817 -0.637 1
1 625 . 15 1 1 A 62 62 ASP HA H 89 4.500 5.290 -0.790 1
1 628 . 15 1 1 A 62 62 ASP C C 89 172.970 174.827 -1.857 1
1 629 . 15 1 1 A 62 62 ASP CA C 89 54.200 52.347 1.853 1
1 630 . 15 1 1 A 62 62 ASP CB C 89 42.090 43.918 -1.828 1
1 631 . 15 1 1 A 62 62 ASP N N 89 121.190 119.040 2.150 1
1 632 . 15 1 1 A 63 63 SER H H 90 8.190 8.680 -0.490 1
1 633 . 15 1 1 A 63 63 SER HA H 90 4.640 4.697 -0.057 1
1 636 . 15 1 1 A 63 63 SER C C 90 170.240 173.754 -3.514 1
1 637 . 15 1 1 A 63 63 SER CA C 90 56.600 57.514 -0.914 1
1 638 . 15 1 1 A 63 63 SER CB C 90 63.770 62.729 1.041 1
1 639 . 15 1 1 A 63 63 SER N N 90 116.710 118.429 -1.719 1
1 640 . 15 1 1 A 64 64 PRO HA H 91 4.350 4.643 -0.293 1
1 647 . 15 1 1 A 64 64 PRO CA C 91 63.800 62.472 1.328 1
1 648 . 15 1 1 A 64 64 PRO CB C 91 32.410 29.170 3.240 1
1 651 . 15 1 1 A 65 65 LYS H H 92 8.240 8.200 0.040 1
1 652 . 15 1 1 A 65 65 LYS HA H 92 4.210 4.557 -0.347 1
1 661 . 15 1 1 A 65 65 LYS C C 92 173.330 174.355 -1.025 1
1 662 . 15 1 1 A 65 65 LYS CA C 92 56.410 55.440 0.970 1
1 663 . 15 1 1 A 65 65 LYS CB C 92 33.230 33.029 0.201 1
1 667 . 15 1 1 A 65 65 LYS N N 92 120.180 122.180 -2.000 1
1 668 . 15 1 1 A 66 66 ALA H H 93 8.040 7.619 0.421 1
1 669 . 15 1 1 A 66 66 ALA HA H 93 4.210 4.833 -0.623 1
1 673 . 15 1 1 A 66 66 ALA C C 93 174.580 174.987 -0.407 1
1 674 . 15 1 1 A 66 66 ALA CA C 93 53.020 51.285 1.735 1
1 675 . 15 1 1 A 66 66 ALA CB C 93 19.760 23.054 -3.294 1
1 676 . 15 1 1 A 66 66 ALA N N 93 124.050 122.939 1.111 1
1 677 . 15 1 1 A 67 67 GLN H H 94 8.320 8.826 -0.506 1
1 678 . 15 1 1 A 67 67 GLN HA H 94 4.190 4.690 -0.500 1
1 685 . 15 1 1 A 67 67 GLN C C 94 172.780 174.499 -1.719 1
1 686 . 15 1 1 A 67 67 GLN CA C 94 56.750 54.711 2.039 1
1 687 . 15 1 1 A 67 67 GLN CB C 94 29.100 28.686 0.414 1
1 689 . 15 1 1 A 67 67 GLN N N 94 117.930 122.068 -4.138 1
1 691 . 15 1 1 A 68 68 LEU H H 95 7.730 8.221 -0.491 1
1 692 . 15 1 1 A 68 68 LEU HA H 95 4.360 4.932 -0.572 1
1 702 . 15 1 1 A 68 68 LEU C C 95 174.270 174.213 0.057 1
1 703 . 15 1 1 A 68 68 LEU CA C 95 54.970 54.146 0.824 1
1 704 . 15 1 1 A 68 68 LEU CB C 95 43.120 45.931 -2.811 1
1 708 . 15 1 1 A 68 68 LEU N N 95 120.470 125.656 -5.186 1
1 709 . 15 1 1 A 69 69 ARG H H 96 8.600 8.387 0.213 1
1 710 . 15 1 1 A 69 69 ARG HA H 96 4.230 4.923 -0.693 1
1 718 . 15 1 1 A 69 69 ARG C C 96 171.700 175.510 -3.810 1
1 719 . 15 1 1 A 69 69 ARG CA C 96 56.570 55.164 1.406 1
1 720 . 15 1 1 A 69 69 ARG CB C 96 30.660 31.526 -0.866 1
1 723 . 15 1 1 A 69 69 ARG N N 96 121.670 125.196 -3.526 1
1 725 . 15 1 1 A 70 70 ARG H H 97 7.800 8.791 -0.991 1
1 726 . 15 1 1 A 70 70 ARG HA H 97 5.170 5.198 -0.028 1
1 734 . 15 1 1 A 70 70 ARG C C 97 172.120 173.381 -1.261 1
1 735 . 15 1 1 A 70 70 ARG CA C 97 55.260 54.708 0.552 1
1 736 . 15 1 1 A 70 70 ARG CB C 97 34.040 34.289 -0.249 1
1 739 . 15 1 1 A 70 70 ARG N N 97 120.130 121.579 -1.449 1
1 741 . 15 1 1 A 71 71 THR H H 98 8.610 8.215 0.395 1
1 742 . 15 1 1 A 71 71 THR HA H 98 4.600 5.253 -0.653 1
1 747 . 15 1 1 A 71 71 THR C C 98 169.250 173.571 -4.321 1
1 748 . 15 1 1 A 71 71 THR CA C 98 62.030 61.445 0.585 1
1 749 . 15 1 1 A 71 71 THR CB C 98 71.970 72.081 -0.111 1
1 751 . 15 1 1 A 71 71 THR N N 98 118.550 113.588 4.962 1
1 752 . 15 1 1 A 72 72 ILE H H 99 8.520 8.726 -0.206 1
1 753 . 15 1 1 A 72 72 ILE HA H 99 5.080 5.087 -0.007 1
1 763 . 15 1 1 A 72 72 ILE C C 99 170.930 172.997 -2.067 1
1 764 . 15 1 1 A 72 72 ILE CA C 99 59.370 59.410 -0.040 1
1 765 . 15 1 1 A 72 72 ILE CB C 99 42.140 42.435 -0.295 1
1 769 . 15 1 1 A 72 72 ILE N N 99 125.230 122.893 2.337 1
1 770 . 15 1 1 A 73 73 GLU H H 100 8.860 8.678 0.182 1
1 771 . 15 1 1 A 73 73 GLU HA H 100 4.670 5.148 -0.478 1
1 776 . 15 1 1 A 73 73 GLU C C 100 172.200 175.281 -3.081 1
1 777 . 15 1 1 A 73 73 GLU CA C 100 55.840 54.959 0.881 1
1 778 . 15 1 1 A 73 73 GLU CB C 100 34.410 34.186 0.224 1
1 780 . 15 1 1 A 73 73 GLU N N 100 125.680 125.695 -0.015 1
1 781 . 15 1 1 A 74 74 CYS H H 101 8.830 8.659 0.171 1
1 782 . 15 1 1 A 74 74 CYS HA H 101 5.790 5.526 0.264 1
1 785 . 15 1 1 A 74 74 CYS C C 101 170.360 172.072 -1.712 1
1 786 . 15 1 1 A 74 74 CYS CA C 101 55.010 54.787 0.223 1
1 787 . 15 1 1 A 74 74 CYS CB C 101 45.320 46.921 -1.601 1
1 788 . 15 1 1 A 74 74 CYS N N 101 119.260 118.657 0.603 1
1 789 . 15 1 1 A 75 75 CYS H H 102 9.130 8.561 0.569 1
1 790 . 15 1 1 A 75 75 CYS HA H 102 5.000 5.198 -0.198 1
1 793 . 15 1 1 A 75 75 CYS C C 102 170.670 172.575 -1.905 1
1 794 . 15 1 1 A 75 75 CYS CA C 102 56.180 54.724 1.456 1
1 795 . 15 1 1 A 75 75 CYS CB C 102 46.090 46.039 0.051 1
1 796 . 15 1 1 A 75 75 CYS N N 102 116.460 118.090 -1.630 1
1 797 . 15 1 1 A 76 76 ARG H H 103 9.240 8.772 0.468 1
1 798 . 15 1 1 A 76 76 ARG HA H 103 4.800 4.569 0.231 1
1 806 . 15 1 1 A 76 76 ARG C C 103 172.120 174.976 -2.856 1
1 807 . 15 1 1 A 76 76 ARG CA C 103 56.230 55.442 0.788 1
1 808 . 15 1 1 A 76 76 ARG CB C 103 32.610 29.898 2.712 1
1 811 . 15 1 1 A 76 76 ARG N N 103 122.520 122.373 0.147 1
1 813 . 15 1 1 A 77 77 THR H H 104 7.440 7.735 -0.295 1
1 814 . 15 1 1 A 77 77 THR HA H 104 4.600 5.096 -0.496 1
1 819 . 15 1 1 A 77 77 THR C C 104 171.890 173.303 -1.413 1
1 820 . 15 1 1 A 77 77 THR CA C 104 61.270 59.760 1.510 1
1 821 . 15 1 1 A 77 77 THR CB C 104 72.490 72.248 0.242 1
1 823 . 15 1 1 A 77 77 THR N N 104 109.730 110.452 -0.722 1
1 824 . 15 1 1 A 78 78 ASN H H 105 8.590 8.614 -0.024 1
1 825 . 15 1 1 A 78 78 ASN HA H 105 4.790 4.687 0.103 1
1 830 . 15 1 1 A 78 78 ASN C C 105 174.150 175.362 -1.212 1
1 831 . 15 1 1 A 78 78 ASN CA C 105 55.870 54.193 1.677 1
1 832 . 15 1 1 A 78 78 ASN CB C 105 39.260 38.245 1.015 1
1 833 . 15 1 1 A 78 78 ASN N N 105 119.360 119.750 -0.390 1
1 835 . 15 1 1 A 79 79 LEU H H 106 9.980 8.914 1.066 1
1 836 . 15 1 1 A 79 79 LEU HA H 106 3.680 3.926 -0.246 1
1 846 . 15 1 1 A 79 79 LEU C C 106 175.050 177.525 -2.475 1
1 847 . 15 1 1 A 79 79 LEU CA C 106 56.790 56.071 0.719 1
1 848 . 15 1 1 A 79 79 LEU CB C 106 38.920 39.321 -0.401 1
1 852 . 15 1 1 A 79 79 LEU N N 106 118.230 117.745 0.485 1
1 853 . 15 1 1 A 80 80 CYS H H 107 8.250 8.043 0.207 1
1 854 . 15 1 1 A 80 80 CYS HA H 107 4.320 4.436 -0.116 1
1 857 . 15 1 1 A 80 80 CYS C C 107 172.470 175.096 -2.626 1
1 858 . 15 1 1 A 80 80 CYS CA C 107 58.370 58.603 -0.233 1
1 859 . 15 1 1 A 80 80 CYS CB C 107 46.090 42.121 3.969 1
1 860 . 15 1 1 A 80 80 CYS N N 107 115.460 116.227 -0.767 1
1 861 . 15 1 1 A 81 81 ASN H H 108 8.590 7.963 0.627 1
1 862 . 15 1 1 A 81 81 ASN HA H 108 4.430 4.643 -0.213 1
1 867 . 15 1 1 A 81 81 ASN C C 108 172.210 177.368 -5.158 1
1 868 . 15 1 1 A 81 81 ASN CA C 108 53.320 54.830 -1.510 1
1 869 . 15 1 1 A 81 81 ASN CB C 108 37.290 38.513 -1.223 1
1 870 . 15 1 1 A 81 81 ASN N N 108 118.040 119.798 -1.758 1
1 872 . 15 1 1 A 82 82 GLN H H 109 7.490 7.762 -0.272 1
1 873 . 15 1 1 A 82 82 GLN HA H 109 3.380 3.531 -0.151 1
1 880 . 15 1 1 A 82 82 GLN C C 109 172.300 176.843 -4.543 1
1 881 . 15 1 1 A 82 82 GLN CA C 109 58.940 58.231 0.709 1
1 882 . 15 1 1 A 82 82 GLN CB C 109 28.770 27.687 1.083 1
1 884 . 15 1 1 A 82 82 GLN N N 109 121.350 119.920 1.430 1
1 886 . 15 1 1 A 83 83 TYR H H 110 7.830 7.674 0.156 1
1 887 . 15 1 1 A 83 83 TYR HA H 110 4.590 4.659 -0.069 1
1 892 . 15 1 1 A 83 83 TYR CA C 110 56.490 57.222 -0.732 1
1 893 . 15 1 1 A 83 83 TYR CB C 110 38.400 38.131 0.269 1
1 894 . 15 1 1 A 83 83 TYR N N 110 114.600 116.427 -1.827 1
1 895 . 15 1 1 A 84 84 LEU H H 111 6.610 7.332 -0.722 1
1 896 . 15 1 1 A 84 84 LEU HA H 111 4.170 4.975 -0.805 1
1 905 . 15 1 1 A 84 84 LEU C C 111 172.880 174.907 -2.027 1
1 906 . 15 1 1 A 84 84 LEU CA C 111 55.250 53.623 1.627 1
1 907 . 15 1 1 A 84 84 LEU CB C 111 43.400 44.863 -1.463 1
1 911 . 15 1 1 A 84 84 LEU N N 111 120.140 121.985 -1.845 1
1 912 . 15 1 1 A 85 85 GLN H H 112 8.780 8.920 -0.140 1
1 913 . 15 1 1 A 85 85 GLN HA H 112 4.570 4.807 -0.237 1
1 920 . 15 1 1 A 85 85 GLN C C 112 169.480 174.344 -4.864 1
1 921 . 15 1 1 A 85 85 GLN CA C 112 53.110 52.770 0.340 1
1 922 . 15 1 1 A 85 85 GLN CB C 112 30.000 30.021 -0.021 1
1 924 . 15 1 1 A 85 85 GLN N N 112 122.790 127.739 -4.949 1
1 926 . 15 1 1 A 86 86 PRO HA H 113 4.400 4.606 -0.206 1
1 931 . 15 1 1 A 86 86 PRO CA C 113 63.040 62.912 0.128 1
1 932 . 15 1 1 A 86 86 PRO CB C 113 32.400 32.463 -0.063 1
1 935 . 15 1 1 A 87 87 THR H H 114 8.180 8.300 -0.120 1
1 936 . 15 1 1 A 87 87 THR HA H 114 4.400 4.639 -0.239 1
1 941 . 15 1 1 A 87 87 THR C C 114 172.180 174.275 -2.095 1
1 942 . 15 1 1 A 87 87 THR CA C 114 60.960 60.447 0.513 1
1 943 . 15 1 1 A 87 87 THR CB C 114 71.290 70.112 1.178 1
1 945 . 15 1 1 A 87 87 THR N N 114 111.930 112.328 -0.398 1
1 946 . 15 1 1 A 88 88 LEU H H 115 8.580 8.809 -0.229 1
1 947 . 15 1 1 A 88 88 LEU HA H 115 4.300 4.889 -0.589 1
1 956 . 15 1 1 A 88 88 LEU C C 115 171.740 174.511 -2.771 1
1 957 . 15 1 1 A 88 88 LEU CA C 115 53.230 53.818 -0.588 1
1 958 . 15 1 1 A 88 88 LEU CB C 115 41.900 40.913 0.987 1
1 962 . 15 1 1 A 88 88 LEU N N 115 125.290 126.663 -1.373 1
1 963 . 15 1 1 A 89 89 PRO HA H 116 4.630 4.687 -0.057 1
1 970 . 15 1 1 A 89 89 PRO CA C 116 61.580 61.454 0.126 1
1 971 . 15 1 1 A 89 89 PRO CB C 116 30.980 31.285 -0.305 1
1 974 . 15 1 1 A 90 90 PRO HA H 117 4.350 4.486 -0.136 1
1 977 . 15 1 1 A 90 90 PRO CA C 117 63.010 62.846 0.164 1
1 978 . 15 1 1 A 90 90 PRO CB C 117 32.300 31.842 0.458 1
1 981 . 15 1 1 A 91 91 VAL H H 118 8.190 8.431 -0.241 1
1 982 . 15 1 1 A 91 91 VAL HA H 118 3.900 4.442 -0.542 1
1 990 . 15 1 1 A 91 91 VAL C C 118 173.270 175.744 -2.474 1
1 991 . 15 1 1 A 91 91 VAL CA C 118 62.890 62.883 0.007 1
1 992 . 15 1 1 A 91 91 VAL CB C 118 32.980 32.428 0.552 1
1 994 . 15 1 1 A 91 91 VAL N N 118 120.460 122.932 -2.472 1
1 995 . 15 1 1 A 92 92 VAL H H 119 8.180 8.498 -0.318 1
1 996 . 15 1 1 A 92 92 VAL HA H 119 4.040 4.788 -0.748 1
1 1004 . 15 1 1 A 92 92 VAL C C 119 172.960 173.579 -0.619 1
1 1005 . 15 1 1 A 92 92 VAL CA C 119 62.250 60.035 2.215 1
1 1006 . 15 1 1 A 92 92 VAL CB C 119 33.280 35.631 -2.351 1
1 1008 . 15 1 1 A 92 92 VAL N N 119 125.030 121.799 3.231 1
1 1009 . 15 1 1 A 93 93 ILE H H 120 8.220 8.547 -0.327 1
1 1010 . 15 1 1 A 93 93 ILE HA H 120 4.110 4.623 -0.513 1
1 1015 . 15 1 1 A 93 93 ILE C C 120 173.440 174.613 -1.173 1
1 1016 . 15 1 1 A 93 93 ILE CA C 120 61.050 59.790 1.260 1
1 1017 . 15 1 1 A 93 93 ILE CB C 120 39.030 41.520 -2.490 1
1 1021 . 15 1 1 A 93 93 ILE N N 120 125.690 126.187 -0.497 1
1 1022 . 15 1 1 A 94 94 GLY H H 121 8.190 8.243 -0.053 1
1 1023 . 15 1 1 A 94 94 GLY HA2 H 121 4.050 4.028 0.022 1
1 1024 . 15 1 1 A 94 94 GLY HA3 H 121 3.940 4.050 -0.110 1
1 1025 . 15 1 1 A 94 94 GLY C C 121 169.080 173.846 -4.766 1
1 1026 . 15 1 1 A 94 94 GLY CA C 121 44.850 44.336 0.514 1
1 1027 . 15 1 1 A 94 94 GLY N N 121 113.150 114.932 -1.782 1
1 1028 . 15 1 1 A 95 95 PRO HA H 122 4.270 4.585 -0.315 1
1 1032 . 15 1 1 A 95 95 PRO CA C 122 63.340 62.945 0.395 1
1 1033 . 15 1 1 A 95 95 PRO CB C 122 32.160 32.285 -0.125 1
1 1036 . 15 1 1 A 96 96 PHE H H 123 8.140 8.429 -0.289 1
1 1037 . 15 1 1 A 96 96 PHE HA H 123 4.510 4.894 -0.384 1
1 1040 . 15 1 1 A 96 96 PHE C C 123 172.700 174.910 -2.210 1
1 1041 . 15 1 1 A 96 96 PHE CA C 123 58.040 57.120 0.920 1
1 1042 . 15 1 1 A 96 96 PHE CB C 123 39.710 40.099 -0.389 1
1 1043 . 15 1 1 A 96 96 PHE N N 123 119.410 120.754 -1.344 1
1 1044 . 15 1 1 A 97 97 PHE H H 124 8.000 9.029 -1.029 1
1 1045 . 15 1 1 A 97 97 PHE HA H 124 4.490 4.998 -0.508 1
1 1048 . 15 1 1 A 97 97 PHE C C 124 172.140 174.274 -2.134 1
1 1049 . 15 1 1 A 97 97 PHE CA C 124 58.000 57.066 0.934 1
1 1050 . 15 1 1 A 97 97 PHE CB C 124 40.140 39.061 1.079 1
1 1051 . 15 1 1 A 97 97 PHE N N 124 122.180 121.208 0.972 1
1 1052 . 15 1 1 A 98 98 ASP H H 125 8.100 8.142 -0.042 1
1 1053 . 15 1 1 A 98 98 ASP HA H 125 4.400 5.098 -0.698 1
1 1056 . 15 1 1 A 98 98 ASP C C 125 173.870 175.572 -1.702 1
1 1057 . 15 1 1 A 98 98 ASP CA C 125 54.470 52.776 1.694 1
1 1058 . 15 1 1 A 98 98 ASP CB C 125 41.390 43.906 -2.516 1
1 1059 . 15 1 1 A 98 98 ASP N N 125 123.000 117.074 5.926 1
1 1060 . 15 1 1 A 99 99 GLY H H 126 8.010 8.436 -0.426 1
1 1061 . 15 1 1 A 99 99 GLY HA3 H 126 3.860 4.008 -0.148 1
1 1062 . 15 1 1 A 99 99 GLY C C 126 171.640 174.361 -2.721 1
1 1063 . 15 1 1 A 99 99 GLY CA C 126 45.860 45.044 0.816 1
1 1064 . 15 1 1 A 99 99 GLY N N 126 109.280 109.052 0.228 1
1 1065 . 15 1 1 A 100 100 SER H H 127 8.110 8.000 0.110 1
1 1066 . 15 1 1 A 100 100 SER HA H 127 4.320 4.569 -0.249 1
1 1069 . 15 1 1 A 100 100 SER C C 127 171.520 173.721 -2.201 1
1 1070 . 15 1 1 A 100 100 SER CA C 127 59.190 58.354 0.836 1
1 1071 . 15 1 1 A 100 100 SER CB C 127 64.240 64.970 -0.730 1
1 1072 . 15 1 1 A 100 100 SER N N 127 115.760 114.844 0.916 1
1 1073 . 15 1 1 A 101 101 ILE H H 128 7.960 8.491 -0.531 1
1 1074 . 15 1 1 A 101 101 ILE HA H 128 4.110 4.408 -0.298 1
1 1084 . 15 1 1 A 101 101 ILE C C 128 172.590 175.094 -2.504 1
1 1085 . 15 1 1 A 101 101 ILE CA C 128 61.800 60.404 1.396 1
1 1086 . 15 1 1 A 101 101 ILE CB C 128 38.820 38.973 -0.153 1
1 1090 . 15 1 1 A 101 101 ILE N N 128 122.050 122.057 -0.007 1
1 1 . 16 1 1 A 2 2 PRO HA H 29 4.310 4.531 -0.221 1
1 8 . 16 1 1 A 2 2 PRO CA C 29 64.380 63.198 1.182 1
1 9 . 16 1 1 A 2 2 PRO CB C 29 32.300 31.603 0.697 1
1 12 . 16 1 1 A 3 3 GLU H H 30 9.010 8.767 0.243 1
1 13 . 16 1 1 A 3 3 GLU HA H 30 4.170 4.514 -0.344 1
1 18 . 16 1 1 A 3 3 GLU C C 30 173.730 175.465 -1.735 1
1 19 . 16 1 1 A 3 3 GLU CA C 30 57.560 55.994 1.566 1
1 20 . 16 1 1 A 3 3 GLU CB C 30 29.400 29.151 0.249 1
1 22 . 16 1 1 A 3 3 GLU N N 30 118.790 122.254 -3.464 1
1 23 . 16 1 1 A 4 4 ASP H H 31 7.940 7.902 0.038 1
1 24 . 16 1 1 A 4 4 ASP HA H 31 4.560 4.635 -0.075 1
1 27 . 16 1 1 A 4 4 ASP C C 31 173.600 174.672 -1.072 1
1 28 . 16 1 1 A 4 4 ASP CA C 31 54.940 53.499 1.441 1
1 29 . 16 1 1 A 4 4 ASP CB C 31 41.650 39.638 2.012 1
1 30 . 16 1 1 A 4 4 ASP N N 31 119.920 122.624 -2.704 1
1 31 . 16 1 1 A 5 5 THR H H 32 7.810 8.559 -0.749 1
1 32 . 16 1 1 A 5 5 THR HA H 32 4.160 5.018 -0.858 1
1 37 . 16 1 1 A 5 5 THR C C 32 171.630 173.774 -2.144 1
1 38 . 16 1 1 A 5 5 THR CA C 32 62.410 61.921 0.489 1
1 39 . 16 1 1 A 5 5 THR CB C 32 70.040 70.559 -0.519 1
1 41 . 16 1 1 A 5 5 THR N N 32 113.570 119.520 -5.950 1
1 42 . 16 1 1 A 6 6 LEU H H 33 8.100 8.897 -0.797 1
1 43 . 16 1 1 A 6 6 LEU HA H 33 4.490 4.923 -0.433 1
1 53 . 16 1 1 A 6 6 LEU C C 33 172.440 174.963 -2.523 1
1 54 . 16 1 1 A 6 6 LEU CA C 33 53.430 51.373 2.057 1
1 55 . 16 1 1 A 6 6 LEU CB C 33 41.900 45.623 -3.723 1
1 59 . 16 1 1 A 6 6 LEU N N 33 125.790 126.874 -1.084 1
1 60 . 16 1 1 A 7 7 PRO HA H 34 4.130 4.760 -0.630 1
1 67 . 16 1 1 A 7 7 PRO CA C 34 63.660 62.977 0.683 1
1 68 . 16 1 1 A 7 7 PRO CB C 34 31.970 32.546 -0.576 1
1 71 . 16 1 1 A 8 8 PHE H H 35 7.610 8.597 -0.987 1
1 72 . 16 1 1 A 8 8 PHE HA H 35 4.580 4.853 -0.273 1
1 77 . 16 1 1 A 8 8 PHE C C 35 171.110 174.674 -3.564 1
1 78 . 16 1 1 A 8 8 PHE CA C 35 57.690 56.128 1.562 1
1 79 . 16 1 1 A 8 8 PHE CB C 35 40.850 38.699 2.151 1
1 80 . 16 1 1 A 8 8 PHE N N 35 117.670 116.489 1.181 1
1 81 . 16 1 1 A 9 9 LEU H H 36 8.310 7.520 0.790 1
1 82 . 16 1 1 A 9 9 LEU HA H 36 4.420 4.766 -0.346 1
1 92 . 16 1 1 A 9 9 LEU C C 36 171.050 173.949 -2.899 1
1 93 . 16 1 1 A 9 9 LEU CA C 36 54.770 54.423 0.347 1
1 94 . 16 1 1 A 9 9 LEU CB C 36 44.230 45.255 -1.025 1
1 98 . 16 1 1 A 9 9 LEU N N 36 125.150 121.740 3.410 1
1 99 . 16 1 1 A 10 10 LYS H H 37 8.130 9.321 -1.191 1
1 100 . 16 1 1 A 10 10 LYS HA H 37 5.110 5.189 -0.079 1
1 109 . 16 1 1 A 10 10 LYS C C 37 172.470 174.916 -2.446 1
1 110 . 16 1 1 A 10 10 LYS CA C 37 54.730 55.060 -0.330 1
1 111 . 16 1 1 A 10 10 LYS CB C 37 35.010 34.480 0.530 1
1 115 . 16 1 1 A 10 10 LYS N N 37 123.550 128.057 -4.507 1
1 116 . 16 1 1 A 11 11 CYS H H 38 9.240 8.819 0.421 1
1 117 . 16 1 1 A 11 11 CYS HA H 38 4.890 5.439 -0.549 1
1 120 . 16 1 1 A 11 11 CYS C C 38 171.750 171.970 -0.220 1
1 121 . 16 1 1 A 11 11 CYS CA C 38 51.950 54.810 -2.860 1
1 122 . 16 1 1 A 11 11 CYS CB C 38 41.360 45.239 -3.879 1
1 123 . 16 1 1 A 11 11 CYS N N 38 121.580 124.117 -2.537 1
1 124 . 16 1 1 A 12 12 TYR H H 39 8.830 8.899 -0.069 1
1 125 . 16 1 1 A 12 12 TYR HA H 39 4.780 4.733 0.047 1
1 132 . 16 1 1 A 12 12 TYR C C 39 172.260 174.846 -2.586 1
1 133 . 16 1 1 A 12 12 TYR CA C 39 58.500 58.864 -0.364 1
1 134 . 16 1 1 A 12 12 TYR CB C 39 40.900 39.395 1.505 1
1 135 . 16 1 1 A 12 12 TYR N N 39 122.390 125.570 -3.180 1
1 136 . 16 1 1 A 13 13 CYS H H 40 7.690 7.994 -0.304 1
1 137 . 16 1 1 A 13 13 CYS HA H 40 4.420 5.730 -1.310 1
1 140 . 16 1 1 A 13 13 CYS CA C 40 53.850 54.119 -0.269 1
1 141 . 16 1 1 A 13 13 CYS CB C 40 48.920 45.187 3.733 1
1 142 . 16 1 1 A 14 14 SER H H 41 7.850 8.489 -0.639 1
1 143 . 16 1 1 A 14 14 SER HA H 41 4.160 4.830 -0.670 1
1 146 . 16 1 1 A 14 14 SER CA C 41 58.450 56.708 1.742 1
1 147 . 16 1 1 A 14 14 SER CB C 41 63.840 65.258 -1.418 1
1 148 . 16 1 1 A 14 14 SER N N 41 117.020 118.663 -1.643 1
1 149 . 16 1 1 A 16 16 HIS HA H 43 4.880 4.836 0.044 1
1 152 . 16 1 1 A 16 16 HIS CA C 43 54.770 54.063 0.707 1
1 153 . 16 1 1 A 16 16 HIS CB C 43 29.490 31.420 -1.930 1
1 154 . 16 1 1 A 17 17 CYS H H 44 8.560 8.400 0.160 1
1 155 . 16 1 1 A 18 18 PRO HA H 45 4.660 4.450 0.210 1
1 160 . 16 1 1 A 18 18 PRO CA C 45 62.500 62.696 -0.196 1
1 161 . 16 1 1 A 18 18 PRO CB C 45 33.140 32.749 0.391 1
1 164 . 16 1 1 A 19 19 ASP H H 46 8.800 8.600 0.200 1
1 165 . 16 1 1 A 19 19 ASP HA H 46 4.250 4.271 -0.021 1
1 168 . 16 1 1 A 19 19 ASP C C 46 173.430 176.502 -3.072 1
1 169 . 16 1 1 A 19 19 ASP CA C 46 57.190 56.909 0.281 1
1 170 . 16 1 1 A 19 19 ASP CB C 46 40.720 40.583 0.137 1
1 171 . 16 1 1 A 19 19 ASP N N 46 120.170 121.893 -1.723 1
1 172 . 16 1 1 A 20 20 ASP H H 47 8.050 8.231 -0.181 1
1 173 . 16 1 1 A 20 20 ASP HA H 47 4.510 4.621 -0.111 1
1 176 . 16 1 1 A 20 20 ASP C C 47 173.500 175.993 -2.493 1
1 177 . 16 1 1 A 20 20 ASP CA C 47 52.840 53.050 -0.210 1
1 178 . 16 1 1 A 20 20 ASP CB C 47 39.980 39.725 0.255 1
1 179 . 16 1 1 A 20 20 ASP N N 47 114.670 114.870 -0.200 1
1 180 . 16 1 1 A 21 21 ALA H H 48 7.350 7.248 0.102 1
1 181 . 16 1 1 A 21 21 ALA HA H 48 4.280 4.255 0.025 1
1 185 . 16 1 1 A 21 21 ALA C C 48 174.490 176.535 -2.045 1
1 186 . 16 1 1 A 21 21 ALA CA C 48 53.430 52.213 1.217 1
1 187 . 16 1 1 A 21 21 ALA CB C 48 20.870 20.008 0.862 1
1 188 . 16 1 1 A 21 21 ALA N N 48 122.660 122.581 0.079 1
1 189 . 16 1 1 A 22 22 ILE H H 49 7.960 8.132 -0.172 1
1 190 . 16 1 1 A 22 22 ILE HA H 49 4.240 4.570 -0.330 1
1 199 . 16 1 1 A 22 22 ILE C C 49 173.300 176.240 -2.940 1
1 200 . 16 1 1 A 22 22 ILE CA C 49 60.230 59.506 0.724 1
1 201 . 16 1 1 A 22 22 ILE CB C 49 40.280 40.269 0.011 1
1 205 . 16 1 1 A 22 22 ILE N N 49 119.550 119.786 -0.236 1
1 206 . 16 1 1 A 23 23 ASN H H 50 9.280 9.087 0.193 1
1 207 . 16 1 1 A 23 23 ASN HA H 50 4.290 4.446 -0.156 1
1 212 . 16 1 1 A 23 23 ASN CA C 50 54.660 53.859 0.801 1
1 213 . 16 1 1 A 23 23 ASN CB C 50 37.620 36.160 1.460 1
1 214 . 16 1 1 A 23 23 ASN N N 50 125.470 125.088 0.382 1
1 216 . 16 1 1 A 24 24 ASN H H 51 8.850 8.466 0.384 1
1 217 . 16 1 1 A 24 24 ASN HA H 51 4.070 4.034 0.036 1
1 222 . 16 1 1 A 24 24 ASN C C 51 170.660 173.718 -3.058 1
1 223 . 16 1 1 A 24 24 ASN CA C 51 56.080 54.362 1.718 1
1 224 . 16 1 1 A 24 24 ASN CB C 51 37.430 36.759 0.671 1
1 226 . 16 1 1 A 25 25 THR H H 52 7.190 7.410 -0.220 1
1 227 . 16 1 1 A 25 25 THR HA H 52 5.370 5.066 0.304 1
1 232 . 16 1 1 A 25 25 THR C C 52 169.910 172.204 -2.294 1
1 233 . 16 1 1 A 25 25 THR CA C 52 59.890 59.598 0.292 1
1 234 . 16 1 1 A 25 25 THR CB C 52 73.940 72.254 1.686 1
1 236 . 16 1 1 A 25 25 THR N N 52 105.820 106.321 -0.501 1
1 237 . 16 1 1 A 26 26 CYS H H 53 8.960 8.902 0.058 1
1 238 . 16 1 1 A 26 26 CYS HA H 53 5.000 5.394 -0.394 1
1 241 . 16 1 1 A 26 26 CYS C C 53 168.780 171.461 -2.681 1
1 242 . 16 1 1 A 26 26 CYS CA C 53 52.560 53.598 -1.038 1
1 243 . 16 1 1 A 26 26 CYS CB C 53 48.650 46.568 2.082 1
1 244 . 16 1 1 A 26 26 CYS N N 53 116.070 119.012 -2.942 1
1 245 . 16 1 1 A 27 27 ILE H H 54 8.530 8.462 0.068 1
1 246 . 16 1 1 A 27 27 ILE HA H 54 5.210 4.941 0.269 1
1 256 . 16 1 1 A 27 27 ILE C C 54 173.400 174.643 -1.243 1
1 257 . 16 1 1 A 27 27 ILE CA C 54 59.200 60.147 -0.947 1
1 258 . 16 1 1 A 27 27 ILE CB C 54 40.220 39.957 0.263 1
1 262 . 16 1 1 A 27 27 ILE N N 54 120.170 121.005 -0.835 1
1 263 . 16 1 1 A 28 28 THR H H 55 9.200 8.782 0.418 1
1 264 . 16 1 1 A 28 28 THR HA H 55 4.800 5.197 -0.397 1
1 269 . 16 1 1 A 28 28 THR C C 55 168.370 172.582 -4.212 1
1 270 . 16 1 1 A 28 28 THR CA C 55 60.060 59.653 0.407 1
1 271 . 16 1 1 A 28 28 THR CB C 55 70.490 71.353 -0.863 1
1 273 . 16 1 1 A 28 28 THR N N 55 120.750 120.733 0.017 1
1 274 . 16 1 1 A 29 29 ASN H H 56 8.000 8.462 -0.462 1
1 275 . 16 1 1 A 29 29 ASN HA H 56 4.920 4.951 -0.031 1
1 280 . 16 1 1 A 29 29 ASN C C 56 172.880 175.557 -2.677 1
1 281 . 16 1 1 A 29 29 ASN CA C 56 52.620 51.473 1.147 1
1 282 . 16 1 1 A 29 29 ASN CB C 56 38.920 38.115 0.805 1
1 283 . 16 1 1 A 29 29 ASN N N 56 120.880 123.543 -2.663 1
1 285 . 16 1 1 A 30 30 GLY H H 57 8.510 7.601 0.909 1
1 286 . 16 1 1 A 30 30 GLY HA2 H 57 4.140 3.877 0.263 1
1 287 . 16 1 1 A 30 30 GLY HA3 H 57 3.960 3.929 0.031 1
1 288 . 16 1 1 A 30 30 GLY C C 57 169.020 173.012 -3.992 1
1 289 . 16 1 1 A 30 30 GLY CA C 57 45.800 45.381 0.419 1
1 290 . 16 1 1 A 30 30 GLY N N 57 111.380 109.446 1.934 1
1 291 . 16 1 1 A 31 31 HIS H H 58 8.560 7.463 1.097 1
1 292 . 16 1 1 A 31 31 HIS HA H 58 4.710 5.305 -0.595 1
1 295 . 16 1 1 A 31 31 HIS C C 58 171.200 173.943 -2.743 1
1 296 . 16 1 1 A 31 31 HIS CA C 58 56.140 54.688 1.452 1
1 297 . 16 1 1 A 31 31 HIS CB C 58 34.650 34.175 0.475 1
1 298 . 16 1 1 A 31 31 HIS N N 58 120.870 114.660 6.210 1
1 299 . 16 1 1 A 32 32 CYS H H 59 8.710 8.384 0.326 1
1 300 . 16 1 1 A 32 32 CYS HA H 59 5.700 5.250 0.450 1
1 303 . 16 1 1 A 32 32 CYS C C 59 173.470 173.490 -0.020 1
1 304 . 16 1 1 A 32 32 CYS CA C 59 52.340 55.149 -2.809 1
1 305 . 16 1 1 A 32 32 CYS CB C 59 36.950 44.180 -7.230 1
1 306 . 16 1 1 A 32 32 CYS N N 59 117.290 119.670 -2.380 1
1 307 . 16 1 1 A 33 33 PHE H H 60 8.700 8.494 0.206 1
1 308 . 16 1 1 A 33 33 PHE HA H 60 6.110 5.726 0.384 1
1 316 . 16 1 1 A 33 33 PHE C C 60 172.200 172.885 -0.685 1
1 317 . 16 1 1 A 33 33 PHE CA C 60 56.630 55.431 1.199 1
1 318 . 16 1 1 A 33 33 PHE CB C 60 44.830 42.305 2.525 1
1 319 . 16 1 1 A 33 33 PHE N N 60 116.070 120.077 -4.007 1
1 320 . 16 1 1 A 34 34 ALA H H 61 9.200 8.480 0.720 1
1 321 . 16 1 1 A 34 34 ALA HA H 61 5.000 4.959 0.041 1
1 325 . 16 1 1 A 34 34 ALA C C 61 171.610 175.720 -4.110 1
1 326 . 16 1 1 A 34 34 ALA CA C 61 52.320 51.506 0.814 1
1 327 . 16 1 1 A 34 34 ALA CB C 61 23.950 23.284 0.666 1
1 328 . 16 1 1 A 34 34 ALA N N 61 125.170 121.212 3.958 1
1 329 . 16 1 1 A 35 35 ILE H H 62 9.470 8.636 0.834 1
1 330 . 16 1 1 A 35 35 ILE HA H 62 5.350 4.904 0.446 1
1 340 . 16 1 1 A 35 35 ILE C C 62 170.850 173.453 -2.603 1
1 341 . 16 1 1 A 35 35 ILE CA C 62 59.260 59.509 -0.249 1
1 342 . 16 1 1 A 35 35 ILE CB C 62 43.660 42.338 1.322 1
1 346 . 16 1 1 A 35 35 ILE N N 62 120.630 119.317 1.313 1
1 347 . 16 1 1 A 36 36 ILE H H 63 8.500 8.803 -0.303 1
1 348 . 16 1 1 A 36 36 ILE HA H 63 5.240 5.199 0.041 1
1 358 . 16 1 1 A 36 36 ILE C C 63 170.510 173.021 -2.511 1
1 359 . 16 1 1 A 36 36 ILE CA C 63 59.130 59.263 -0.133 1
1 360 . 16 1 1 A 36 36 ILE CB C 63 41.670 42.454 -0.784 1
1 364 . 16 1 1 A 36 36 ILE N N 63 125.830 126.110 -0.280 1
1 365 . 16 1 1 A 37 37 GLU H H 64 8.450 8.745 -0.295 1
1 366 . 16 1 1 A 37 37 GLU HA H 64 5.010 4.884 0.126 1
1 371 . 16 1 1 A 37 37 GLU C C 64 171.410 174.429 -3.019 1
1 372 . 16 1 1 A 37 37 GLU CA C 64 54.830 55.033 -0.203 1
1 373 . 16 1 1 A 37 37 GLU CB C 64 34.320 34.317 0.003 1
1 375 . 16 1 1 A 37 37 GLU N N 64 124.570 127.015 -2.445 1
1 376 . 16 1 1 A 38 38 GLU H H 65 8.300 8.526 -0.226 1
1 377 . 16 1 1 A 38 38 GLU HA H 65 5.040 4.949 0.091 1
1 382 . 16 1 1 A 38 38 GLU C C 65 172.920 175.928 -3.008 1
1 383 . 16 1 1 A 38 38 GLU CA C 65 54.760 55.106 -0.346 1
1 384 . 16 1 1 A 38 38 GLU CB C 65 33.470 31.642 1.828 1
1 386 . 16 1 1 A 38 38 GLU N N 65 123.960 123.690 0.270 1
1 387 . 16 1 1 A 39 39 ASP H H 66 8.470 8.323 0.147 1
1 388 . 16 1 1 A 39 39 ASP HA H 66 4.750 4.888 -0.138 1
1 391 . 16 1 1 A 39 39 ASP C C 66 174.940 176.443 -1.503 1
1 392 . 16 1 1 A 39 39 ASP CA C 66 52.890 52.491 0.399 1
1 393 . 16 1 1 A 39 39 ASP CB C 66 41.990 41.417 0.573 1
1 394 . 16 1 1 A 39 39 ASP N N 66 124.870 126.763 -1.893 1
1 395 . 16 1 1 A 40 40 ASP H H 67 8.380 8.927 -0.547 1
1 396 . 16 1 1 A 40 40 ASP HA H 67 4.310 4.302 0.008 1
1 399 . 16 1 1 A 40 40 ASP C C 67 174.210 177.136 -2.926 1
1 400 . 16 1 1 A 40 40 ASP CA C 67 56.350 56.396 -0.046 1
1 401 . 16 1 1 A 40 40 ASP CB C 67 40.510 40.753 -0.243 1
1 402 . 16 1 1 A 40 40 ASP N N 67 116.220 120.016 -3.796 1
1 403 . 16 1 1 A 41 41 GLN H H 68 8.200 7.749 0.451 1
1 404 . 16 1 1 A 41 41 GLN HA H 68 4.380 4.368 0.012 1
1 411 . 16 1 1 A 41 41 GLN C C 68 173.740 176.421 -2.681 1
1 412 . 16 1 1 A 41 41 GLN CA C 68 55.590 55.607 -0.017 1
1 413 . 16 1 1 A 41 41 GLN CB C 68 29.780 29.450 0.330 1
1 415 . 16 1 1 A 41 41 GLN N N 68 117.190 116.017 1.173 1
1 417 . 16 1 1 A 42 42 GLY H H 69 8.000 8.189 -0.189 1
1 418 . 16 1 1 A 42 42 GLY HA2 H 69 3.630 3.904 -0.274 1
1 419 . 16 1 1 A 42 42 GLY HA3 H 69 4.140 3.904 0.236 1
1 420 . 16 1 1 A 42 42 GLY C C 69 171.650 174.287 -2.637 1
1 421 . 16 1 1 A 42 42 GLY CA C 69 45.730 45.706 0.024 1
1 422 . 16 1 1 A 42 42 GLY N N 69 108.130 108.518 -0.388 1
1 423 . 16 1 1 A 43 43 GLU H H 70 8.410 8.252 0.158 1
1 424 . 16 1 1 A 43 43 GLU HA H 70 4.450 4.568 -0.118 1
1 429 . 16 1 1 A 43 43 GLU C C 70 173.970 176.343 -2.373 1
1 430 . 16 1 1 A 43 43 GLU CA C 70 56.020 55.280 0.740 1
1 431 . 16 1 1 A 43 43 GLU CB C 70 30.300 31.119 -0.819 1
1 433 . 16 1 1 A 43 43 GLU N N 70 122.300 119.702 2.598 1
1 434 . 16 1 1 A 44 44 THR H H 71 8.620 8.480 0.140 1
1 435 . 16 1 1 A 44 44 THR HA H 71 5.210 5.184 0.026 1
1 440 . 16 1 1 A 44 44 THR C C 71 172.160 174.060 -1.900 1
1 441 . 16 1 1 A 44 44 THR CA C 71 61.600 60.840 0.760 1
1 442 . 16 1 1 A 44 44 THR CB C 71 71.000 70.107 0.893 1
1 444 . 16 1 1 A 44 44 THR N N 71 117.330 113.891 3.439 1
1 445 . 16 1 1 A 45 45 THR H H 72 8.760 8.613 0.147 1
1 446 . 16 1 1 A 45 45 THR HA H 72 4.500 5.060 -0.560 1
1 451 . 16 1 1 A 45 45 THR C C 72 169.600 173.668 -4.068 1
1 452 . 16 1 1 A 45 45 THR CA C 72 61.270 60.572 0.698 1
1 453 . 16 1 1 A 45 45 THR CB C 72 72.320 70.017 2.303 1
1 455 . 16 1 1 A 45 45 THR N N 72 117.840 118.023 -0.183 1
1 456 . 16 1 1 A 46 46 LEU H H 73 8.400 9.175 -0.775 1
1 457 . 16 1 1 A 46 46 LEU HA H 73 5.250 5.061 0.189 1
1 464 . 16 1 1 A 46 46 LEU C C 73 173.150 175.585 -2.435 1
1 465 . 16 1 1 A 46 46 LEU CA C 73 54.300 53.854 0.446 1
1 466 . 16 1 1 A 46 46 LEU CB C 73 44.860 43.524 1.336 1
1 470 . 16 1 1 A 46 46 LEU N N 73 126.020 127.649 -1.629 1
1 471 . 16 1 1 A 47 47 ALA HA H 74 4.760 5.492 -0.732 1
1 475 . 16 1 1 A 47 47 ALA C C 74 172.740 175.481 -2.741 1
1 476 . 16 1 1 A 47 47 ALA CA C 74 51.440 50.699 0.741 1
1 477 . 16 1 1 A 47 47 ALA CB C 74 23.350 23.446 -0.096 1
1 478 . 16 1 1 A 48 48 SER H H 75 8.700 8.652 0.048 1
1 479 . 16 1 1 A 48 48 SER HA H 75 4.500 4.671 -0.171 1
1 482 . 16 1 1 A 48 48 SER C C 75 171.590 173.049 -1.459 1
1 483 . 16 1 1 A 48 48 SER CA C 75 57.740 56.398 1.342 1
1 484 . 16 1 1 A 48 48 SER CB C 75 65.700 66.072 -0.372 1
1 485 . 16 1 1 A 48 48 SER N N 75 111.400 114.252 -2.852 1
1 486 . 16 1 1 A 49 49 GLY H H 76 6.440 7.244 -0.804 1
1 487 . 16 1 1 A 49 49 GLY HA2 H 76 3.850 3.890 -0.040 1
1 488 . 16 1 1 A 49 49 GLY HA3 H 76 3.730 3.897 -0.167 1
1 489 . 16 1 1 A 49 49 GLY C C 76 167.890 171.287 -3.397 1
1 490 . 16 1 1 A 49 49 GLY CA C 76 47.420 45.869 1.551 1
1 491 . 16 1 1 A 49 49 GLY N N 76 105.480 105.764 -0.284 1
1 492 . 16 1 1 A 50 50 CYS H H 77 8.740 8.339 0.401 1
1 493 . 16 1 1 A 50 50 CYS HA H 77 4.950 5.359 -0.409 1
1 496 . 16 1 1 A 50 50 CYS C C 77 170.670 172.789 -2.119 1
1 497 . 16 1 1 A 50 50 CYS CA C 77 60.030 55.295 4.735 1
1 498 . 16 1 1 A 50 50 CYS CB C 77 46.100 43.432 2.668 1
1 499 . 16 1 1 A 50 50 CYS N N 77 118.960 120.009 -1.049 1
1 500 . 16 1 1 A 51 51 MET H H 78 9.240 9.078 0.162 1
1 501 . 16 1 1 A 51 51 MET HA H 78 4.760 4.998 -0.238 1
1 509 . 16 1 1 A 51 51 MET C C 78 171.990 175.995 -4.005 1
1 510 . 16 1 1 A 51 51 MET CA C 78 54.630 54.188 0.442 1
1 511 . 16 1 1 A 51 51 MET CB C 78 35.810 34.962 0.848 1
1 514 . 16 1 1 A 51 51 MET N N 78 122.340 126.019 -3.679 1
1 515 . 16 1 1 A 52 52 LYS H H 79 8.430 8.430 0.000 1
1 516 . 16 1 1 A 52 52 LYS HA H 79 4.160 4.245 -0.085 1
1 525 . 16 1 1 A 52 52 LYS C C 79 173.040 175.795 -2.755 1
1 526 . 16 1 1 A 52 52 LYS CA C 79 57.120 56.294 0.826 1
1 527 . 16 1 1 A 52 52 LYS CB C 79 33.720 32.747 0.973 1
1 531 . 16 1 1 A 52 52 LYS N N 79 125.030 124.276 0.754 1
1 532 . 16 1 1 A 53 53 TYR H H 80 8.400 8.759 -0.359 1
1 533 . 16 1 1 A 53 53 TYR HA H 80 4.200 4.498 -0.298 1
1 536 . 16 1 1 A 53 53 TYR C C 80 173.370 175.346 -1.976 1
1 537 . 16 1 1 A 53 53 TYR CA C 80 59.910 59.271 0.639 1
1 538 . 16 1 1 A 53 53 TYR CB C 80 39.000 39.227 -0.227 1
1 539 . 16 1 1 A 53 53 TYR N N 80 121.420 122.261 -0.841 1
1 540 . 16 1 1 A 54 54 GLU H H 81 8.490 8.475 0.015 1
1 541 . 16 1 1 A 54 54 GLU HA H 81 4.170 4.607 -0.437 1
1 545 . 16 1 1 A 54 54 GLU C C 81 173.240 176.729 -3.489 1
1 546 . 16 1 1 A 54 54 GLU CA C 81 56.440 56.324 0.116 1
1 547 . 16 1 1 A 54 54 GLU CB C 81 30.860 32.325 -1.465 1
1 549 . 16 1 1 A 54 54 GLU N N 81 123.790 124.640 -0.850 1
1 550 . 16 1 1 A 55 55 GLY H H 82 7.200 7.609 -0.409 1
1 551 . 16 1 1 A 55 55 GLY HA2 H 82 4.050 3.864 0.186 1
1 552 . 16 1 1 A 55 55 GLY HA3 H 82 3.690 3.974 -0.284 1
1 553 . 16 1 1 A 55 55 GLY C C 82 171.520 173.841 -2.321 1
1 554 . 16 1 1 A 55 55 GLY CA C 82 45.680 45.184 0.496 1
1 555 . 16 1 1 A 55 55 GLY N N 82 108.400 107.274 1.126 1
1 556 . 16 1 1 A 56 56 SER H H 83 8.140 7.747 0.393 1
1 557 . 16 1 1 A 56 56 SER HA H 83 4.280 5.239 -0.959 1
1 560 . 16 1 1 A 56 56 SER C C 83 171.900 173.840 -1.940 1
1 561 . 16 1 1 A 56 56 SER CA C 83 59.270 57.529 1.741 1
1 562 . 16 1 1 A 56 56 SER CB C 83 63.960 65.644 -1.684 1
1 563 . 16 1 1 A 56 56 SER N N 83 114.650 114.719 -0.069 1
1 564 . 16 1 1 A 57 57 ASP H H 84 8.340 9.065 -0.725 1
1 565 . 16 1 1 A 57 57 ASP HA H 84 4.430 4.749 -0.319 1
1 568 . 16 1 1 A 57 57 ASP C C 84 173.100 176.721 -3.621 1
1 569 . 16 1 1 A 57 57 ASP CA C 84 54.950 56.205 -1.255 1
1 570 . 16 1 1 A 57 57 ASP CB C 84 40.840 40.995 -0.155 1
1 571 . 16 1 1 A 57 57 ASP N N 84 121.230 125.455 -4.225 1
1 572 . 16 1 1 A 58 58 PHE H H 85 7.730 7.703 0.027 1
1 573 . 16 1 1 A 58 58 PHE HA H 85 4.260 4.565 -0.305 1
1 581 . 16 1 1 A 58 58 PHE C C 85 172.590 174.812 -2.222 1
1 582 . 16 1 1 A 58 58 PHE CA C 85 58.520 56.825 1.695 1
1 583 . 16 1 1 A 58 58 PHE CB C 85 39.840 39.947 -0.107 1
1 584 . 16 1 1 A 58 58 PHE N N 85 118.920 118.784 0.136 1
1 585 . 16 1 1 A 59 59 GLN H H 86 7.790 7.669 0.121 1
1 586 . 16 1 1 A 59 59 GLN HA H 86 4.070 4.427 -0.357 1
1 593 . 16 1 1 A 59 59 GLN C C 86 172.550 175.252 -2.702 1
1 594 . 16 1 1 A 59 59 GLN CA C 86 56.000 54.971 1.029 1
1 595 . 16 1 1 A 59 59 GLN CB C 86 30.600 26.710 3.890 1
1 597 . 16 1 1 A 59 59 GLN N N 86 120.280 119.855 0.425 1
1 599 . 16 1 1 A 60 60 CYS H H 87 8.100 8.262 -0.162 1
1 600 . 16 1 1 A 60 60 CYS HA H 87 4.140 4.820 -0.680 1
1 603 . 16 1 1 A 60 60 CYS C C 87 170.910 173.245 -2.335 1
1 604 . 16 1 1 A 60 60 CYS CA C 87 56.810 55.105 1.705 1
1 605 . 16 1 1 A 60 60 CYS CB C 87 40.780 43.055 -2.275 1
1 606 . 16 1 1 A 60 60 CYS N N 87 118.790 123.905 -5.115 1
1 607 . 16 1 1 A 61 61 LYS H H 88 7.610 7.550 0.060 1
1 608 . 16 1 1 A 61 61 LYS HA H 88 4.280 4.391 -0.111 1
1 617 . 16 1 1 A 61 61 LYS C C 88 172.330 175.706 -3.376 1
1 618 . 16 1 1 A 61 61 LYS CA C 88 56.210 55.379 0.831 1
1 619 . 16 1 1 A 61 61 LYS CB C 88 34.210 33.656 0.554 1
1 623 . 16 1 1 A 61 61 LYS N N 88 120.330 119.692 0.638 1
1 624 . 16 1 1 A 62 62 ASP H H 89 8.180 8.505 -0.325 1
1 625 . 16 1 1 A 62 62 ASP HA H 89 4.500 4.729 -0.229 1
1 628 . 16 1 1 A 62 62 ASP C C 89 172.970 174.758 -1.788 1
1 629 . 16 1 1 A 62 62 ASP CA C 89 54.200 52.066 2.134 1
1 630 . 16 1 1 A 62 62 ASP CB C 89 42.090 42.966 -0.876 1
1 631 . 16 1 1 A 62 62 ASP N N 89 121.190 122.168 -0.978 1
1 632 . 16 1 1 A 63 63 SER H H 90 8.190 8.458 -0.268 1
1 633 . 16 1 1 A 63 63 SER HA H 90 4.640 4.865 -0.225 1
1 636 . 16 1 1 A 63 63 SER C C 90 170.240 172.083 -1.843 1
1 637 . 16 1 1 A 63 63 SER CA C 90 56.600 56.495 0.105 1
1 638 . 16 1 1 A 63 63 SER CB C 90 63.770 66.819 -3.049 1
1 639 . 16 1 1 A 63 63 SER N N 90 116.710 115.801 0.909 1
1 640 . 16 1 1 A 64 64 PRO HA H 91 4.350 4.604 -0.254 1
1 647 . 16 1 1 A 64 64 PRO CA C 91 63.800 62.670 1.130 1
1 648 . 16 1 1 A 64 64 PRO CB C 91 32.410 29.395 3.015 1
1 651 . 16 1 1 A 65 65 LYS H H 92 8.240 7.834 0.406 1
1 652 . 16 1 1 A 65 65 LYS HA H 92 4.210 4.641 -0.431 1
1 661 . 16 1 1 A 65 65 LYS C C 92 173.330 175.965 -2.635 1
1 662 . 16 1 1 A 65 65 LYS CA C 92 56.410 55.386 1.024 1
1 663 . 16 1 1 A 65 65 LYS CB C 92 33.230 32.647 0.583 1
1 667 . 16 1 1 A 65 65 LYS N N 92 120.180 118.344 1.836 1
1 668 . 16 1 1 A 66 66 ALA H H 93 8.040 7.686 0.354 1
1 669 . 16 1 1 A 66 66 ALA HA H 93 4.210 4.267 -0.057 1
1 673 . 16 1 1 A 66 66 ALA C C 93 174.580 177.047 -2.467 1
1 674 . 16 1 1 A 66 66 ALA CA C 93 53.020 52.306 0.714 1
1 675 . 16 1 1 A 66 66 ALA CB C 93 19.760 19.911 -0.151 1
1 676 . 16 1 1 A 66 66 ALA N N 93 124.050 122.581 1.469 1
1 677 . 16 1 1 A 67 67 GLN H H 94 8.320 8.683 -0.363 1
1 678 . 16 1 1 A 67 67 GLN HA H 94 4.190 4.741 -0.551 1
1 685 . 16 1 1 A 67 67 GLN C C 94 172.780 173.642 -0.862 1
1 686 . 16 1 1 A 67 67 GLN CA C 94 56.750 54.836 1.914 1
1 687 . 16 1 1 A 67 67 GLN CB C 94 29.100 32.294 -3.194 1
1 689 . 16 1 1 A 67 67 GLN N N 94 117.930 118.212 -0.282 1
1 691 . 16 1 1 A 68 68 LEU H H 95 7.730 8.278 -0.548 1
1 692 . 16 1 1 A 68 68 LEU HA H 95 4.360 4.404 -0.044 1
1 702 . 16 1 1 A 68 68 LEU C C 95 174.270 177.189 -2.919 1
1 703 . 16 1 1 A 68 68 LEU CA C 95 54.970 55.231 -0.261 1
1 704 . 16 1 1 A 68 68 LEU CB C 95 43.120 43.447 -0.327 1
1 708 . 16 1 1 A 68 68 LEU N N 95 120.470 123.012 -2.542 1
1 709 . 16 1 1 A 69 69 ARG H H 96 8.600 8.659 -0.059 1
1 710 . 16 1 1 A 69 69 ARG HA H 96 4.230 4.454 -0.224 1
1 718 . 16 1 1 A 69 69 ARG C C 96 171.700 176.235 -4.535 1
1 719 . 16 1 1 A 69 69 ARG CA C 96 56.570 56.405 0.165 1
1 720 . 16 1 1 A 69 69 ARG CB C 96 30.660 30.628 0.032 1
1 723 . 16 1 1 A 69 69 ARG N N 96 121.670 123.588 -1.918 1
1 725 . 16 1 1 A 70 70 ARG H H 97 7.800 8.649 -0.849 1
1 726 . 16 1 1 A 70 70 ARG HA H 97 5.170 5.192 -0.022 1
1 734 . 16 1 1 A 70 70 ARG C C 97 172.120 173.335 -1.215 1
1 735 . 16 1 1 A 70 70 ARG CA C 97 55.260 54.650 0.610 1
1 736 . 16 1 1 A 70 70 ARG CB C 97 34.040 34.136 -0.096 1
1 739 . 16 1 1 A 70 70 ARG N N 97 120.130 121.257 -1.127 1
1 741 . 16 1 1 A 71 71 THR H H 98 8.610 8.216 0.394 1
1 742 . 16 1 1 A 71 71 THR HA H 98 4.600 5.198 -0.598 1
1 747 . 16 1 1 A 71 71 THR C C 98 169.250 173.519 -4.269 1
1 748 . 16 1 1 A 71 71 THR CA C 98 62.030 61.383 0.647 1
1 749 . 16 1 1 A 71 71 THR CB C 98 71.970 71.949 0.021 1
1 751 . 16 1 1 A 71 71 THR N N 98 118.550 113.850 4.700 1
1 752 . 16 1 1 A 72 72 ILE H H 99 8.520 8.671 -0.151 1
1 753 . 16 1 1 A 72 72 ILE HA H 99 5.080 5.041 0.039 1
1 763 . 16 1 1 A 72 72 ILE C C 99 170.930 172.959 -2.029 1
1 764 . 16 1 1 A 72 72 ILE CA C 99 59.370 59.325 0.045 1
1 765 . 16 1 1 A 72 72 ILE CB C 99 42.140 42.400 -0.260 1
1 769 . 16 1 1 A 72 72 ILE N N 99 125.230 122.864 2.366 1
1 770 . 16 1 1 A 73 73 GLU H H 100 8.860 8.644 0.216 1
1 771 . 16 1 1 A 73 73 GLU HA H 100 4.670 5.025 -0.355 1
1 776 . 16 1 1 A 73 73 GLU C C 100 172.200 174.791 -2.591 1
1 777 . 16 1 1 A 73 73 GLU CA C 100 55.840 55.127 0.713 1
1 778 . 16 1 1 A 73 73 GLU CB C 100 34.410 34.256 0.154 1
1 780 . 16 1 1 A 73 73 GLU N N 100 125.680 125.583 0.097 1
1 781 . 16 1 1 A 74 74 CYS H H 101 8.830 9.028 -0.198 1
1 782 . 16 1 1 A 74 74 CYS HA H 101 5.790 5.529 0.261 1
1 785 . 16 1 1 A 74 74 CYS C C 101 170.360 172.363 -2.003 1
1 786 . 16 1 1 A 74 74 CYS CA C 101 55.010 54.106 0.904 1
1 787 . 16 1 1 A 74 74 CYS CB C 101 45.320 46.315 -0.995 1
1 788 . 16 1 1 A 74 74 CYS N N 101 119.260 117.117 2.143 1
1 789 . 16 1 1 A 75 75 CYS H H 102 9.130 8.570 0.560 1
1 790 . 16 1 1 A 75 75 CYS HA H 102 5.000 5.296 -0.296 1
1 793 . 16 1 1 A 75 75 CYS C C 102 170.670 171.871 -1.201 1
1 794 . 16 1 1 A 75 75 CYS CA C 102 56.180 55.115 1.065 1
1 795 . 16 1 1 A 75 75 CYS CB C 102 46.090 46.336 -0.246 1
1 796 . 16 1 1 A 75 75 CYS N N 102 116.460 118.666 -2.206 1
1 797 . 16 1 1 A 76 76 ARG H H 103 9.240 9.043 0.197 1
1 798 . 16 1 1 A 76 76 ARG HA H 103 4.800 4.785 0.015 1
1 806 . 16 1 1 A 76 76 ARG C C 103 172.120 174.626 -2.506 1
1 807 . 16 1 1 A 76 76 ARG CA C 103 56.230 55.305 0.925 1
1 808 . 16 1 1 A 76 76 ARG CB C 103 32.610 29.836 2.774 1
1 811 . 16 1 1 A 76 76 ARG N N 103 122.520 125.040 -2.520 1
1 813 . 16 1 1 A 77 77 THR H H 104 7.440 7.781 -0.341 1
1 814 . 16 1 1 A 77 77 THR HA H 104 4.600 5.097 -0.497 1
1 819 . 16 1 1 A 77 77 THR C C 104 171.890 173.285 -1.395 1
1 820 . 16 1 1 A 77 77 THR CA C 104 61.270 59.754 1.516 1
1 821 . 16 1 1 A 77 77 THR CB C 104 72.490 72.179 0.311 1
1 823 . 16 1 1 A 77 77 THR N N 104 109.730 112.330 -2.600 1
1 824 . 16 1 1 A 78 78 ASN H H 105 8.590 8.603 -0.013 1
1 825 . 16 1 1 A 78 78 ASN HA H 105 4.790 4.668 0.122 1
1 830 . 16 1 1 A 78 78 ASN C C 105 174.150 175.287 -1.137 1
1 831 . 16 1 1 A 78 78 ASN CA C 105 55.870 54.069 1.801 1
1 832 . 16 1 1 A 78 78 ASN CB C 105 39.260 38.244 1.016 1
1 833 . 16 1 1 A 78 78 ASN N N 105 119.360 119.710 -0.350 1
1 835 . 16 1 1 A 79 79 LEU H H 106 9.980 8.796 1.184 1
1 836 . 16 1 1 A 79 79 LEU HA H 106 3.680 3.914 -0.234 1
1 846 . 16 1 1 A 79 79 LEU C C 106 175.050 177.526 -2.476 1
1 847 . 16 1 1 A 79 79 LEU CA C 106 56.790 56.089 0.701 1
1 848 . 16 1 1 A 79 79 LEU CB C 106 38.920 39.348 -0.428 1
1 852 . 16 1 1 A 79 79 LEU N N 106 118.230 117.700 0.530 1
1 853 . 16 1 1 A 80 80 CYS H H 107 8.250 8.021 0.229 1
1 854 . 16 1 1 A 80 80 CYS HA H 107 4.320 4.432 -0.112 1
1 857 . 16 1 1 A 80 80 CYS C C 107 172.470 174.917 -2.447 1
1 858 . 16 1 1 A 80 80 CYS CA C 107 58.370 58.606 -0.236 1
1 859 . 16 1 1 A 80 80 CYS CB C 107 46.090 42.120 3.970 1
1 860 . 16 1 1 A 80 80 CYS N N 107 115.460 116.211 -0.751 1
1 861 . 16 1 1 A 81 81 ASN H H 108 8.590 7.972 0.618 1
1 862 . 16 1 1 A 81 81 ASN HA H 108 4.430 4.660 -0.230 1
1 867 . 16 1 1 A 81 81 ASN C C 108 172.210 177.427 -5.217 1
1 868 . 16 1 1 A 81 81 ASN CA C 108 53.320 54.737 -1.417 1
1 869 . 16 1 1 A 81 81 ASN CB C 108 37.290 38.714 -1.424 1
1 870 . 16 1 1 A 81 81 ASN N N 108 118.040 119.137 -1.097 1
1 872 . 16 1 1 A 82 82 GLN H H 109 7.490 8.085 -0.595 1
1 873 . 16 1 1 A 82 82 GLN HA H 109 3.380 3.623 -0.243 1
1 880 . 16 1 1 A 82 82 GLN C C 109 172.300 176.828 -4.528 1
1 881 . 16 1 1 A 82 82 GLN CA C 109 58.940 58.258 0.682 1
1 882 . 16 1 1 A 82 82 GLN CB C 109 28.770 27.674 1.096 1
1 884 . 16 1 1 A 82 82 GLN N N 109 121.350 119.963 1.387 1
1 886 . 16 1 1 A 83 83 TYR H H 110 7.830 7.665 0.165 1
1 887 . 16 1 1 A 83 83 TYR HA H 110 4.590 4.666 -0.076 1
1 892 . 16 1 1 A 83 83 TYR CA C 110 56.490 57.241 -0.751 1
1 893 . 16 1 1 A 83 83 TYR CB C 110 38.400 38.065 0.335 1
1 894 . 16 1 1 A 83 83 TYR N N 110 114.600 116.547 -1.947 1
1 895 . 16 1 1 A 84 84 LEU H H 111 6.610 7.367 -0.757 1
1 896 . 16 1 1 A 84 84 LEU HA H 111 4.170 4.980 -0.810 1
1 905 . 16 1 1 A 84 84 LEU C C 111 172.880 174.787 -1.907 1
1 906 . 16 1 1 A 84 84 LEU CA C 111 55.250 53.549 1.701 1
1 907 . 16 1 1 A 84 84 LEU CB C 111 43.400 44.946 -1.546 1
1 911 . 16 1 1 A 84 84 LEU N N 111 120.140 121.921 -1.781 1
1 912 . 16 1 1 A 85 85 GLN H H 112 8.780 8.921 -0.141 1
1 913 . 16 1 1 A 85 85 GLN HA H 112 4.570 4.811 -0.241 1
1 920 . 16 1 1 A 85 85 GLN C C 112 169.480 174.504 -5.024 1
1 921 . 16 1 1 A 85 85 GLN CA C 112 53.110 52.767 0.343 1
1 922 . 16 1 1 A 85 85 GLN CB C 112 30.000 30.292 -0.292 1
1 924 . 16 1 1 A 85 85 GLN N N 112 122.790 127.762 -4.972 1
1 926 . 16 1 1 A 86 86 PRO HA H 113 4.400 4.915 -0.515 1
1 931 . 16 1 1 A 86 86 PRO CA C 113 63.040 62.613 0.427 1
1 932 . 16 1 1 A 86 86 PRO CB C 113 32.400 32.690 -0.290 1
1 935 . 16 1 1 A 87 87 THR H H 114 8.180 8.552 -0.372 1
1 936 . 16 1 1 A 87 87 THR HA H 114 4.400 5.009 -0.609 1
1 941 . 16 1 1 A 87 87 THR C C 114 172.180 173.416 -1.236 1
1 942 . 16 1 1 A 87 87 THR CA C 114 60.960 59.746 1.214 1
1 943 . 16 1 1 A 87 87 THR CB C 114 71.290 72.114 -0.824 1
1 945 . 16 1 1 A 87 87 THR N N 114 111.930 112.755 -0.825 1
1 946 . 16 1 1 A 88 88 LEU H H 115 8.580 8.601 -0.021 1
1 947 . 16 1 1 A 88 88 LEU HA H 115 4.300 4.875 -0.575 1
1 956 . 16 1 1 A 88 88 LEU C C 115 171.740 174.663 -2.923 1
1 957 . 16 1 1 A 88 88 LEU CA C 115 53.230 53.735 -0.505 1
1 958 . 16 1 1 A 88 88 LEU CB C 115 41.900 41.108 0.792 1
1 962 . 16 1 1 A 88 88 LEU N N 115 125.290 124.865 0.425 1
1 963 . 16 1 1 A 89 89 PRO HA H 116 4.630 4.696 -0.066 1
1 970 . 16 1 1 A 89 89 PRO CA C 116 61.580 61.415 0.165 1
1 971 . 16 1 1 A 89 89 PRO CB C 116 30.980 31.240 -0.260 1
1 974 . 16 1 1 A 90 90 PRO HA H 117 4.350 4.491 -0.141 1
1 977 . 16 1 1 A 90 90 PRO CA C 117 63.010 62.760 0.250 1
1 978 . 16 1 1 A 90 90 PRO CB C 117 32.300 31.781 0.519 1
1 981 . 16 1 1 A 91 91 VAL H H 118 8.190 8.391 -0.201 1
1 982 . 16 1 1 A 91 91 VAL HA H 118 3.900 4.361 -0.461 1
1 990 . 16 1 1 A 91 91 VAL C C 118 173.270 175.891 -2.621 1
1 991 . 16 1 1 A 91 91 VAL CA C 118 62.890 62.609 0.281 1
1 992 . 16 1 1 A 91 91 VAL CB C 118 32.980 32.120 0.860 1
1 994 . 16 1 1 A 91 91 VAL N N 118 120.460 122.538 -2.078 1
1 995 . 16 1 1 A 92 92 VAL H H 119 8.180 8.407 -0.227 1
1 996 . 16 1 1 A 92 92 VAL HA H 119 4.040 4.600 -0.560 1
1 1004 . 16 1 1 A 92 92 VAL C C 119 172.960 175.007 -2.047 1
1 1005 . 16 1 1 A 92 92 VAL CA C 119 62.250 61.437 0.813 1
1 1006 . 16 1 1 A 92 92 VAL CB C 119 33.280 33.197 0.083 1
1 1008 . 16 1 1 A 92 92 VAL N N 119 125.030 124.061 0.969 1
1 1009 . 16 1 1 A 93 93 ILE H H 120 8.220 8.746 -0.526 1
1 1010 . 16 1 1 A 93 93 ILE HA H 120 4.110 4.445 -0.335 1
1 1015 . 16 1 1 A 93 93 ILE C C 120 173.440 175.328 -1.888 1
1 1016 . 16 1 1 A 93 93 ILE CA C 120 61.050 60.061 0.989 1
1 1017 . 16 1 1 A 93 93 ILE CB C 120 39.030 41.234 -2.204 1
1 1021 . 16 1 1 A 93 93 ILE N N 120 125.690 127.182 -1.492 1
1 1022 . 16 1 1 A 94 94 GLY H H 121 8.190 8.652 -0.462 1
1 1023 . 16 1 1 A 94 94 GLY HA2 H 121 4.050 3.721 0.329 1
1 1024 . 16 1 1 A 94 94 GLY HA3 H 121 3.940 3.784 0.156 1
1 1025 . 16 1 1 A 94 94 GLY C C 121 169.080 174.892 -5.812 1
1 1026 . 16 1 1 A 94 94 GLY CA C 121 44.850 46.814 -1.964 1
1 1027 . 16 1 1 A 94 94 GLY N N 121 113.150 116.719 -3.569 1
1 1028 . 16 1 1 A 95 95 PRO HA H 122 4.270 4.380 -0.110 1
1 1032 . 16 1 1 A 95 95 PRO CA C 122 63.340 62.987 0.353 1
1 1033 . 16 1 1 A 95 95 PRO CB C 122 32.160 32.170 -0.010 1
1 1036 . 16 1 1 A 96 96 PHE H H 123 8.140 8.566 -0.426 1
1 1037 . 16 1 1 A 96 96 PHE HA H 123 4.510 4.760 -0.250 1
1 1040 . 16 1 1 A 96 96 PHE C C 123 172.700 175.715 -3.015 1
1 1041 . 16 1 1 A 96 96 PHE CA C 123 58.040 57.123 0.917 1
1 1042 . 16 1 1 A 96 96 PHE CB C 123 39.710 39.911 -0.201 1
1 1043 . 16 1 1 A 96 96 PHE N N 123 119.410 121.875 -2.465 1
1 1044 . 16 1 1 A 97 97 PHE H H 124 8.000 8.534 -0.534 1
1 1045 . 16 1 1 A 97 97 PHE HA H 124 4.490 4.564 -0.074 1
1 1048 . 16 1 1 A 97 97 PHE C C 124 172.140 175.256 -3.116 1
1 1049 . 16 1 1 A 97 97 PHE CA C 124 58.000 57.094 0.906 1
1 1050 . 16 1 1 A 97 97 PHE CB C 124 40.140 39.901 0.239 1
1 1051 . 16 1 1 A 97 97 PHE N N 124 122.180 121.745 0.435 1
1 1052 . 16 1 1 A 98 98 ASP H H 125 8.100 9.094 -0.994 1
1 1053 . 16 1 1 A 98 98 ASP HA H 125 4.400 5.428 -1.028 1
1 1056 . 16 1 1 A 98 98 ASP C C 125 173.870 175.494 -1.624 1
1 1057 . 16 1 1 A 98 98 ASP CA C 125 54.470 53.475 0.995 1
1 1058 . 16 1 1 A 98 98 ASP CB C 125 41.390 42.499 -1.109 1
1 1059 . 16 1 1 A 98 98 ASP N N 125 123.000 119.936 3.064 1
1 1060 . 16 1 1 A 99 99 GLY H H 126 8.010 8.903 -0.893 1
1 1061 . 16 1 1 A 99 99 GLY HA3 H 126 3.860 4.212 -0.352 1
1 1062 . 16 1 1 A 99 99 GLY C C 126 171.640 173.406 -1.766 1
1 1063 . 16 1 1 A 99 99 GLY CA C 126 45.860 45.769 0.091 1
1 1064 . 16 1 1 A 99 99 GLY N N 126 109.280 112.441 -3.161 1
1 1065 . 16 1 1 A 100 100 SER H H 127 8.110 7.890 0.220 1
1 1066 . 16 1 1 A 100 100 SER HA H 127 4.320 4.791 -0.471 1
1 1069 . 16 1 1 A 100 100 SER C C 127 171.520 172.887 -1.367 1
1 1070 . 16 1 1 A 100 100 SER CA C 127 59.190 57.536 1.654 1
1 1071 . 16 1 1 A 100 100 SER CB C 127 64.240 64.954 -0.714 1
1 1072 . 16 1 1 A 100 100 SER N N 127 115.760 114.927 0.833 1
1 1073 . 16 1 1 A 101 101 ILE H H 128 7.960 9.044 -1.084 1
1 1074 . 16 1 1 A 101 101 ILE HA H 128 4.110 4.583 -0.473 1
1 1084 . 16 1 1 A 101 101 ILE C C 128 172.590 174.993 -2.403 1
1 1085 . 16 1 1 A 101 101 ILE CA C 128 61.800 60.680 1.120 1
1 1086 . 16 1 1 A 101 101 ILE CB C 128 38.820 38.459 0.361 1
1 1090 . 16 1 1 A 101 101 ILE N N 128 122.050 127.880 -5.830 1
1 1 . 17 1 1 A 2 2 PRO HA H 29 4.310 4.442 -0.132 1
1 8 . 17 1 1 A 2 2 PRO CA C 29 64.380 63.201 1.179 1
1 9 . 17 1 1 A 2 2 PRO CB C 29 32.300 31.755 0.545 1
1 12 . 17 1 1 A 3 3 GLU H H 30 9.010 8.757 0.253 1
1 13 . 17 1 1 A 3 3 GLU HA H 30 4.170 4.500 -0.330 1
1 18 . 17 1 1 A 3 3 GLU C C 30 173.730 175.683 -1.953 1
1 19 . 17 1 1 A 3 3 GLU CA C 30 57.560 55.977 1.583 1
1 20 . 17 1 1 A 3 3 GLU CB C 30 29.400 29.131 0.269 1
1 22 . 17 1 1 A 3 3 GLU N N 30 118.790 121.973 -3.183 1
1 23 . 17 1 1 A 4 4 ASP H H 31 7.940 7.846 0.094 1
1 24 . 17 1 1 A 4 4 ASP HA H 31 4.560 4.847 -0.287 1
1 27 . 17 1 1 A 4 4 ASP C C 31 173.600 175.317 -1.717 1
1 28 . 17 1 1 A 4 4 ASP CA C 31 54.940 53.565 1.375 1
1 29 . 17 1 1 A 4 4 ASP CB C 31 41.650 38.941 2.709 1
1 30 . 17 1 1 A 4 4 ASP N N 31 119.920 121.538 -1.618 1
1 31 . 17 1 1 A 5 5 THR H H 32 7.810 8.761 -0.951 1
1 32 . 17 1 1 A 5 5 THR HA H 32 4.160 4.551 -0.391 1
1 37 . 17 1 1 A 5 5 THR C C 32 171.630 174.292 -2.662 1
1 38 . 17 1 1 A 5 5 THR CA C 32 62.410 60.294 2.116 1
1 39 . 17 1 1 A 5 5 THR CB C 32 70.040 67.790 2.250 1
1 41 . 17 1 1 A 5 5 THR N N 32 113.570 122.111 -8.541 1
1 42 . 17 1 1 A 6 6 LEU H H 33 8.100 7.605 0.495 1
1 43 . 17 1 1 A 6 6 LEU HA H 33 4.490 4.540 -0.050 1
1 53 . 17 1 1 A 6 6 LEU C C 33 172.440 175.374 -2.934 1
1 54 . 17 1 1 A 6 6 LEU CA C 33 53.430 52.840 0.590 1
1 55 . 17 1 1 A 6 6 LEU CB C 33 41.900 42.134 -0.234 1
1 59 . 17 1 1 A 6 6 LEU N N 33 125.790 124.365 1.425 1
1 60 . 17 1 1 A 7 7 PRO HA H 34 4.130 4.518 -0.388 1
1 67 . 17 1 1 A 7 7 PRO CA C 34 63.660 62.776 0.884 1
1 68 . 17 1 1 A 7 7 PRO CB C 34 31.970 32.190 -0.220 1
1 71 . 17 1 1 A 8 8 PHE H H 35 7.610 8.425 -0.815 1
1 72 . 17 1 1 A 8 8 PHE HA H 35 4.580 4.813 -0.233 1
1 77 . 17 1 1 A 8 8 PHE C C 35 171.110 174.557 -3.447 1
1 78 . 17 1 1 A 8 8 PHE CA C 35 57.690 56.023 1.667 1
1 79 . 17 1 1 A 8 8 PHE CB C 35 40.850 38.615 2.235 1
1 80 . 17 1 1 A 8 8 PHE N N 35 117.670 117.133 0.537 1
1 81 . 17 1 1 A 9 9 LEU H H 36 8.310 7.764 0.546 1
1 82 . 17 1 1 A 9 9 LEU HA H 36 4.420 4.787 -0.367 1
1 92 . 17 1 1 A 9 9 LEU C C 36 171.050 174.009 -2.959 1
1 93 . 17 1 1 A 9 9 LEU CA C 36 54.770 54.425 0.345 1
1 94 . 17 1 1 A 9 9 LEU CB C 36 44.230 45.291 -1.061 1
1 98 . 17 1 1 A 9 9 LEU N N 36 125.150 121.977 3.173 1
1 99 . 17 1 1 A 10 10 LYS H H 37 8.130 9.333 -1.203 1
1 100 . 17 1 1 A 10 10 LYS HA H 37 5.110 5.176 -0.066 1
1 109 . 17 1 1 A 10 10 LYS C C 37 172.470 174.903 -2.433 1
1 110 . 17 1 1 A 10 10 LYS CA C 37 54.730 55.045 -0.315 1
1 111 . 17 1 1 A 10 10 LYS CB C 37 35.010 34.281 0.729 1
1 115 . 17 1 1 A 10 10 LYS N N 37 123.550 128.066 -4.516 1
1 116 . 17 1 1 A 11 11 CYS H H 38 9.240 8.835 0.405 1
1 117 . 17 1 1 A 11 11 CYS HA H 38 4.890 5.445 -0.555 1
1 120 . 17 1 1 A 11 11 CYS C C 38 171.750 171.934 -0.184 1
1 121 . 17 1 1 A 11 11 CYS CA C 38 51.950 54.800 -2.850 1
1 122 . 17 1 1 A 11 11 CYS CB C 38 41.360 45.129 -3.769 1
1 123 . 17 1 1 A 11 11 CYS N N 38 121.580 124.183 -2.603 1
1 124 . 17 1 1 A 12 12 TYR H H 39 8.830 8.949 -0.119 1
1 125 . 17 1 1 A 12 12 TYR HA H 39 4.780 4.744 0.036 1
1 132 . 17 1 1 A 12 12 TYR C C 39 172.260 174.739 -2.479 1
1 133 . 17 1 1 A 12 12 TYR CA C 39 58.500 58.562 -0.062 1
1 134 . 17 1 1 A 12 12 TYR CB C 39 40.900 39.458 1.442 1
1 135 . 17 1 1 A 12 12 TYR N N 39 122.390 125.755 -3.365 1
1 136 . 17 1 1 A 13 13 CYS H H 40 7.690 8.107 -0.417 1
1 137 . 17 1 1 A 13 13 CYS HA H 40 4.420 5.766 -1.346 1
1 140 . 17 1 1 A 13 13 CYS CA C 40 53.850 54.032 -0.182 1
1 141 . 17 1 1 A 13 13 CYS CB C 40 48.920 44.958 3.962 1
1 142 . 17 1 1 A 14 14 SER H H 41 7.850 9.027 -1.177 1
1 143 . 17 1 1 A 14 14 SER HA H 41 4.160 4.892 -0.732 1
1 146 . 17 1 1 A 14 14 SER CA C 41 58.450 57.310 1.140 1
1 147 . 17 1 1 A 14 14 SER CB C 41 63.840 66.342 -2.502 1
1 148 . 17 1 1 A 14 14 SER N N 41 117.020 119.268 -2.248 1
1 149 . 17 1 1 A 16 16 HIS HA H 43 4.880 4.787 0.093 1
1 152 . 17 1 1 A 16 16 HIS CA C 43 54.770 54.188 0.582 1
1 153 . 17 1 1 A 16 16 HIS CB C 43 29.490 31.458 -1.968 1
1 154 . 17 1 1 A 17 17 CYS H H 44 8.560 8.363 0.197 1
1 155 . 17 1 1 A 18 18 PRO HA H 45 4.660 4.436 0.224 1
1 160 . 17 1 1 A 18 18 PRO CA C 45 62.500 62.679 -0.179 1
1 161 . 17 1 1 A 18 18 PRO CB C 45 33.140 32.669 0.471 1
1 164 . 17 1 1 A 19 19 ASP H H 46 8.800 8.594 0.206 1
1 165 . 17 1 1 A 19 19 ASP HA H 46 4.250 4.265 -0.015 1
1 168 . 17 1 1 A 19 19 ASP C C 46 173.430 176.500 -3.070 1
1 169 . 17 1 1 A 19 19 ASP CA C 46 57.190 56.908 0.282 1
1 170 . 17 1 1 A 19 19 ASP CB C 46 40.720 40.582 0.138 1
1 171 . 17 1 1 A 19 19 ASP N N 46 120.170 121.881 -1.711 1
1 172 . 17 1 1 A 20 20 ASP H H 47 8.050 8.230 -0.180 1
1 173 . 17 1 1 A 20 20 ASP HA H 47 4.510 4.620 -0.110 1
1 176 . 17 1 1 A 20 20 ASP C C 47 173.500 175.991 -2.491 1
1 177 . 17 1 1 A 20 20 ASP CA C 47 52.840 53.053 -0.213 1
1 178 . 17 1 1 A 20 20 ASP CB C 47 39.980 39.724 0.256 1
1 179 . 17 1 1 A 20 20 ASP N N 47 114.670 114.867 -0.197 1
1 180 . 17 1 1 A 21 21 ALA H H 48 7.350 7.264 0.086 1
1 181 . 17 1 1 A 21 21 ALA HA H 48 4.280 4.255 0.025 1
1 185 . 17 1 1 A 21 21 ALA C C 48 174.490 176.530 -2.040 1
1 186 . 17 1 1 A 21 21 ALA CA C 48 53.430 52.201 1.229 1
1 187 . 17 1 1 A 21 21 ALA CB C 48 20.870 20.019 0.851 1
1 188 . 17 1 1 A 21 21 ALA N N 48 122.660 122.578 0.082 1
1 189 . 17 1 1 A 22 22 ILE H H 49 7.960 8.131 -0.171 1
1 190 . 17 1 1 A 22 22 ILE HA H 49 4.240 4.569 -0.329 1
1 199 . 17 1 1 A 22 22 ILE C C 49 173.300 176.243 -2.943 1
1 200 . 17 1 1 A 22 22 ILE CA C 49 60.230 59.468 0.762 1
1 201 . 17 1 1 A 22 22 ILE CB C 49 40.280 40.261 0.019 1
1 205 . 17 1 1 A 22 22 ILE N N 49 119.550 119.786 -0.236 1
1 206 . 17 1 1 A 23 23 ASN H H 50 9.280 9.089 0.191 1
1 207 . 17 1 1 A 23 23 ASN HA H 50 4.290 4.450 -0.160 1
1 212 . 17 1 1 A 23 23 ASN CA C 50 54.660 53.865 0.795 1
1 213 . 17 1 1 A 23 23 ASN CB C 50 37.620 36.164 1.456 1
1 214 . 17 1 1 A 23 23 ASN N N 50 125.470 125.084 0.386 1
1 216 . 17 1 1 A 24 24 ASN H H 51 8.850 8.474 0.376 1
1 217 . 17 1 1 A 24 24 ASN HA H 51 4.070 4.061 0.009 1
1 222 . 17 1 1 A 24 24 ASN C C 51 170.660 173.763 -3.103 1
1 223 . 17 1 1 A 24 24 ASN CA C 51 56.080 54.399 1.681 1
1 224 . 17 1 1 A 24 24 ASN CB C 51 37.430 36.798 0.632 1
1 226 . 17 1 1 A 25 25 THR H H 52 7.190 7.446 -0.256 1
1 227 . 17 1 1 A 25 25 THR HA H 52 5.370 5.110 0.260 1
1 232 . 17 1 1 A 25 25 THR C C 52 169.910 172.396 -2.486 1
1 233 . 17 1 1 A 25 25 THR CA C 52 59.890 59.579 0.311 1
1 234 . 17 1 1 A 25 25 THR CB C 52 73.940 72.472 1.468 1
1 236 . 17 1 1 A 25 25 THR N N 52 105.820 106.316 -0.496 1
1 237 . 17 1 1 A 26 26 CYS H H 53 8.960 8.917 0.043 1
1 238 . 17 1 1 A 26 26 CYS HA H 53 5.000 5.419 -0.419 1
1 241 . 17 1 1 A 26 26 CYS C C 53 168.780 171.674 -2.894 1
1 242 . 17 1 1 A 26 26 CYS CA C 53 52.560 53.645 -1.085 1
1 243 . 17 1 1 A 26 26 CYS CB C 53 48.650 46.062 2.588 1
1 244 . 17 1 1 A 26 26 CYS N N 53 116.070 119.166 -3.096 1
1 245 . 17 1 1 A 27 27 ILE H H 54 8.530 8.516 0.014 1
1 246 . 17 1 1 A 27 27 ILE HA H 54 5.210 4.955 0.255 1
1 256 . 17 1 1 A 27 27 ILE C C 54 173.400 174.713 -1.313 1
1 257 . 17 1 1 A 27 27 ILE CA C 54 59.200 60.327 -1.127 1
1 258 . 17 1 1 A 27 27 ILE CB C 54 40.220 39.938 0.282 1
1 262 . 17 1 1 A 27 27 ILE N N 54 120.170 121.119 -0.949 1
1 263 . 17 1 1 A 28 28 THR H H 55 9.200 8.789 0.411 1
1 264 . 17 1 1 A 28 28 THR HA H 55 4.800 5.163 -0.363 1
1 269 . 17 1 1 A 28 28 THR C C 55 168.370 172.654 -4.284 1
1 270 . 17 1 1 A 28 28 THR CA C 55 60.060 59.740 0.320 1
1 271 . 17 1 1 A 28 28 THR CB C 55 70.490 71.350 -0.860 1
1 273 . 17 1 1 A 28 28 THR N N 55 120.750 120.702 0.048 1
1 274 . 17 1 1 A 29 29 ASN H H 56 8.000 8.466 -0.466 1
1 275 . 17 1 1 A 29 29 ASN HA H 56 4.920 4.873 0.047 1
1 280 . 17 1 1 A 29 29 ASN C C 56 172.880 175.419 -2.539 1
1 281 . 17 1 1 A 29 29 ASN CA C 56 52.620 51.426 1.194 1
1 282 . 17 1 1 A 29 29 ASN CB C 56 38.920 38.168 0.752 1
1 283 . 17 1 1 A 29 29 ASN N N 56 120.880 123.527 -2.647 1
1 285 . 17 1 1 A 30 30 GLY H H 57 8.510 7.622 0.888 1
1 286 . 17 1 1 A 30 30 GLY HA2 H 57 4.140 3.937 0.203 1
1 287 . 17 1 1 A 30 30 GLY HA3 H 57 3.960 4.068 -0.108 1
1 288 . 17 1 1 A 30 30 GLY C C 57 169.020 173.056 -4.036 1
1 289 . 17 1 1 A 30 30 GLY CA C 57 45.800 45.397 0.403 1
1 290 . 17 1 1 A 30 30 GLY N N 57 111.380 109.340 2.040 1
1 291 . 17 1 1 A 31 31 HIS H H 58 8.560 7.696 0.864 1
1 292 . 17 1 1 A 31 31 HIS HA H 58 4.710 5.290 -0.580 1
1 295 . 17 1 1 A 31 31 HIS C C 58 171.200 173.886 -2.686 1
1 296 . 17 1 1 A 31 31 HIS CA C 58 56.140 54.668 1.472 1
1 297 . 17 1 1 A 31 31 HIS CB C 58 34.650 34.020 0.630 1
1 298 . 17 1 1 A 31 31 HIS N N 58 120.870 115.402 5.468 1
1 299 . 17 1 1 A 32 32 CYS H H 59 8.710 8.413 0.297 1
1 300 . 17 1 1 A 32 32 CYS HA H 59 5.700 5.238 0.462 1
1 303 . 17 1 1 A 32 32 CYS C C 59 173.470 173.544 -0.074 1
1 304 . 17 1 1 A 32 32 CYS CA C 59 52.340 55.153 -2.813 1
1 305 . 17 1 1 A 32 32 CYS CB C 59 36.950 44.240 -7.290 1
1 306 . 17 1 1 A 32 32 CYS N N 59 117.290 119.569 -2.279 1
1 307 . 17 1 1 A 33 33 PHE H H 60 8.700 8.482 0.218 1
1 308 . 17 1 1 A 33 33 PHE HA H 60 6.110 5.700 0.410 1
1 316 . 17 1 1 A 33 33 PHE C C 60 172.200 172.877 -0.677 1
1 317 . 17 1 1 A 33 33 PHE CA C 60 56.630 55.441 1.189 1
1 318 . 17 1 1 A 33 33 PHE CB C 60 44.830 42.367 2.463 1
1 319 . 17 1 1 A 33 33 PHE N N 60 116.070 120.110 -4.040 1
1 320 . 17 1 1 A 34 34 ALA H H 61 9.200 8.473 0.727 1
1 321 . 17 1 1 A 34 34 ALA HA H 61 5.000 4.915 0.085 1
1 325 . 17 1 1 A 34 34 ALA C C 61 171.610 175.702 -4.092 1
1 326 . 17 1 1 A 34 34 ALA CA C 61 52.320 51.444 0.876 1
1 327 . 17 1 1 A 34 34 ALA CB C 61 23.950 23.324 0.626 1
1 328 . 17 1 1 A 34 34 ALA N N 61 125.170 121.211 3.959 1
1 329 . 17 1 1 A 35 35 ILE H H 62 9.470 8.626 0.844 1
1 330 . 17 1 1 A 35 35 ILE HA H 62 5.350 4.913 0.437 1
1 340 . 17 1 1 A 35 35 ILE C C 62 170.850 173.181 -2.331 1
1 341 . 17 1 1 A 35 35 ILE CA C 62 59.260 59.627 -0.367 1
1 342 . 17 1 1 A 35 35 ILE CB C 62 43.660 42.331 1.329 1
1 346 . 17 1 1 A 35 35 ILE N N 62 120.630 119.298 1.332 1
1 347 . 17 1 1 A 36 36 ILE H H 63 8.500 8.953 -0.453 1
1 348 . 17 1 1 A 36 36 ILE HA H 63 5.240 5.233 0.007 1
1 358 . 17 1 1 A 36 36 ILE C C 63 170.510 172.958 -2.448 1
1 359 . 17 1 1 A 36 36 ILE CA C 63 59.130 59.089 0.041 1
1 360 . 17 1 1 A 36 36 ILE CB C 63 41.670 42.410 -0.740 1
1 364 . 17 1 1 A 36 36 ILE N N 63 125.830 126.326 -0.496 1
1 365 . 17 1 1 A 37 37 GLU H H 64 8.450 8.740 -0.290 1
1 366 . 17 1 1 A 37 37 GLU HA H 64 5.010 4.939 0.071 1
1 371 . 17 1 1 A 37 37 GLU C C 64 171.410 174.427 -3.017 1
1 372 . 17 1 1 A 37 37 GLU CA C 64 54.830 54.955 -0.125 1
1 373 . 17 1 1 A 37 37 GLU CB C 64 34.320 34.336 -0.016 1
1 375 . 17 1 1 A 37 37 GLU N N 64 124.570 127.030 -2.460 1
1 376 . 17 1 1 A 38 38 GLU H H 65 8.300 8.584 -0.284 1
1 377 . 17 1 1 A 38 38 GLU HA H 65 5.040 4.946 0.094 1
1 382 . 17 1 1 A 38 38 GLU C C 65 172.920 175.925 -3.005 1
1 383 . 17 1 1 A 38 38 GLU CA C 65 54.760 55.104 -0.344 1
1 384 . 17 1 1 A 38 38 GLU CB C 65 33.470 31.607 1.863 1
1 386 . 17 1 1 A 38 38 GLU N N 65 123.960 123.685 0.275 1
1 387 . 17 1 1 A 39 39 ASP H H 66 8.470 8.331 0.139 1
1 388 . 17 1 1 A 39 39 ASP HA H 66 4.750 4.889 -0.139 1
1 391 . 17 1 1 A 39 39 ASP C C 66 174.940 177.095 -2.155 1
1 392 . 17 1 1 A 39 39 ASP CA C 66 52.890 52.511 0.379 1
1 393 . 17 1 1 A 39 39 ASP CB C 66 41.990 41.370 0.620 1
1 394 . 17 1 1 A 39 39 ASP N N 66 124.870 126.782 -1.912 1
1 395 . 17 1 1 A 40 40 ASP H H 67 8.380 8.743 -0.363 1
1 396 . 17 1 1 A 40 40 ASP HA H 67 4.310 4.254 0.056 1
1 399 . 17 1 1 A 40 40 ASP C C 67 174.210 177.370 -3.160 1
1 400 . 17 1 1 A 40 40 ASP CA C 67 56.350 56.650 -0.300 1
1 401 . 17 1 1 A 40 40 ASP CB C 67 40.510 40.437 0.073 1
1 402 . 17 1 1 A 40 40 ASP N N 67 116.220 118.590 -2.370 1
1 403 . 17 1 1 A 41 41 GLN H H 68 8.200 7.740 0.460 1
1 404 . 17 1 1 A 41 41 GLN HA H 68 4.380 4.368 0.012 1
1 411 . 17 1 1 A 41 41 GLN C C 68 173.740 176.459 -2.719 1
1 412 . 17 1 1 A 41 41 GLN CA C 68 55.590 55.563 0.027 1
1 413 . 17 1 1 A 41 41 GLN CB C 68 29.780 29.504 0.276 1
1 415 . 17 1 1 A 41 41 GLN N N 68 117.190 116.665 0.525 1
1 417 . 17 1 1 A 42 42 GLY H H 69 8.000 8.215 -0.215 1
1 418 . 17 1 1 A 42 42 GLY HA2 H 69 3.630 3.899 -0.269 1
1 419 . 17 1 1 A 42 42 GLY HA3 H 69 4.140 3.899 0.241 1
1 420 . 17 1 1 A 42 42 GLY C C 69 171.650 174.270 -2.620 1
1 421 . 17 1 1 A 42 42 GLY CA C 69 45.730 45.668 0.062 1
1 422 . 17 1 1 A 42 42 GLY N N 69 108.130 108.551 -0.421 1
1 423 . 17 1 1 A 43 43 GLU H H 70 8.410 8.264 0.146 1
1 424 . 17 1 1 A 43 43 GLU HA H 70 4.450 4.590 -0.140 1
1 429 . 17 1 1 A 43 43 GLU C C 70 173.970 176.330 -2.360 1
1 430 . 17 1 1 A 43 43 GLU CA C 70 56.020 55.248 0.772 1
1 431 . 17 1 1 A 43 43 GLU CB C 70 30.300 31.065 -0.765 1
1 433 . 17 1 1 A 43 43 GLU N N 70 122.300 119.761 2.539 1
1 434 . 17 1 1 A 44 44 THR H H 71 8.620 8.499 0.121 1
1 435 . 17 1 1 A 44 44 THR HA H 71 5.210 5.211 -0.001 1
1 440 . 17 1 1 A 44 44 THR C C 71 172.160 174.073 -1.913 1
1 441 . 17 1 1 A 44 44 THR CA C 71 61.600 60.844 0.756 1
1 442 . 17 1 1 A 44 44 THR CB C 71 71.000 70.024 0.976 1
1 444 . 17 1 1 A 44 44 THR N N 71 117.330 113.857 3.473 1
1 445 . 17 1 1 A 45 45 THR H H 72 8.760 8.692 0.068 1
1 446 . 17 1 1 A 45 45 THR HA H 72 4.500 5.081 -0.581 1
1 451 . 17 1 1 A 45 45 THR C C 72 169.600 173.884 -4.284 1
1 452 . 17 1 1 A 45 45 THR CA C 72 61.270 60.531 0.739 1
1 453 . 17 1 1 A 45 45 THR CB C 72 72.320 70.008 2.312 1
1 455 . 17 1 1 A 45 45 THR N N 72 117.840 117.844 -0.004 1
1 456 . 17 1 1 A 46 46 LEU H H 73 8.400 9.150 -0.750 1
1 457 . 17 1 1 A 46 46 LEU HA H 73 5.250 5.061 0.189 1
1 464 . 17 1 1 A 46 46 LEU C C 73 173.150 175.582 -2.432 1
1 465 . 17 1 1 A 46 46 LEU CA C 73 54.300 53.887 0.413 1
1 466 . 17 1 1 A 46 46 LEU CB C 73 44.860 43.548 1.312 1
1 470 . 17 1 1 A 46 46 LEU N N 73 126.020 127.235 -1.215 1
1 471 . 17 1 1 A 47 47 ALA HA H 74 4.760 5.487 -0.727 1
1 475 . 17 1 1 A 47 47 ALA C C 74 172.740 175.472 -2.732 1
1 476 . 17 1 1 A 47 47 ALA CA C 74 51.440 50.708 0.732 1
1 477 . 17 1 1 A 47 47 ALA CB C 74 23.350 23.469 -0.119 1
1 478 . 17 1 1 A 48 48 SER H H 75 8.700 8.148 0.552 1
1 479 . 17 1 1 A 48 48 SER HA H 75 4.500 4.644 -0.144 1
1 482 . 17 1 1 A 48 48 SER C C 75 171.590 173.056 -1.466 1
1 483 . 17 1 1 A 48 48 SER CA C 75 57.740 56.395 1.345 1
1 484 . 17 1 1 A 48 48 SER CB C 75 65.700 65.985 -0.285 1
1 485 . 17 1 1 A 48 48 SER N N 75 111.400 114.266 -2.866 1
1 486 . 17 1 1 A 49 49 GLY H H 76 6.440 7.299 -0.859 1
1 487 . 17 1 1 A 49 49 GLY HA2 H 76 3.850 3.929 -0.079 1
1 488 . 17 1 1 A 49 49 GLY HA3 H 76 3.730 3.936 -0.206 1
1 489 . 17 1 1 A 49 49 GLY C C 76 167.890 171.286 -3.396 1
1 490 . 17 1 1 A 49 49 GLY CA C 76 47.420 45.876 1.544 1
1 491 . 17 1 1 A 49 49 GLY N N 76 105.480 105.780 -0.300 1
1 492 . 17 1 1 A 50 50 CYS H H 77 8.740 8.368 0.372 1
1 493 . 17 1 1 A 50 50 CYS HA H 77 4.950 5.332 -0.382 1
1 496 . 17 1 1 A 50 50 CYS C C 77 170.670 172.784 -2.114 1
1 497 . 17 1 1 A 50 50 CYS CA C 77 60.030 55.268 4.762 1
1 498 . 17 1 1 A 50 50 CYS CB C 77 46.100 43.354 2.746 1
1 499 . 17 1 1 A 50 50 CYS N N 77 118.960 119.805 -0.845 1
1 500 . 17 1 1 A 51 51 MET H H 78 9.240 9.051 0.189 1
1 501 . 17 1 1 A 51 51 MET HA H 78 4.760 4.992 -0.232 1
1 509 . 17 1 1 A 51 51 MET C C 78 171.990 175.969 -3.979 1
1 510 . 17 1 1 A 51 51 MET CA C 78 54.630 54.076 0.554 1
1 511 . 17 1 1 A 51 51 MET CB C 78 35.810 35.339 0.471 1
1 514 . 17 1 1 A 51 51 MET N N 78 122.340 125.851 -3.511 1
1 515 . 17 1 1 A 52 52 LYS H H 79 8.430 8.257 0.173 1
1 516 . 17 1 1 A 52 52 LYS HA H 79 4.160 4.203 -0.043 1
1 525 . 17 1 1 A 52 52 LYS C C 79 173.040 175.796 -2.756 1
1 526 . 17 1 1 A 52 52 LYS CA C 79 57.120 55.829 1.291 1
1 527 . 17 1 1 A 52 52 LYS CB C 79 33.720 32.545 1.175 1
1 531 . 17 1 1 A 52 52 LYS N N 79 125.030 122.431 2.599 1
1 532 . 17 1 1 A 53 53 TYR H H 80 8.400 8.446 -0.046 1
1 533 . 17 1 1 A 53 53 TYR HA H 80 4.200 4.650 -0.450 1
1 536 . 17 1 1 A 53 53 TYR C C 80 173.370 175.406 -2.036 1
1 537 . 17 1 1 A 53 53 TYR CA C 80 59.910 57.822 2.088 1
1 538 . 17 1 1 A 53 53 TYR CB C 80 39.000 39.437 -0.437 1
1 539 . 17 1 1 A 53 53 TYR N N 80 121.420 120.469 0.951 1
1 540 . 17 1 1 A 54 54 GLU H H 81 8.490 9.225 -0.735 1
1 541 . 17 1 1 A 54 54 GLU HA H 81 4.170 4.670 -0.500 1
1 545 . 17 1 1 A 54 54 GLU C C 81 173.240 177.542 -4.302 1
1 546 . 17 1 1 A 54 54 GLU CA C 81 56.440 56.515 -0.075 1
1 547 . 17 1 1 A 54 54 GLU CB C 81 30.860 32.355 -1.495 1
1 549 . 17 1 1 A 54 54 GLU N N 81 123.790 120.293 3.497 1
1 550 . 17 1 1 A 55 55 GLY H H 82 7.200 8.891 -1.691 1
1 551 . 17 1 1 A 55 55 GLY HA2 H 82 4.050 3.999 0.051 1
1 552 . 17 1 1 A 55 55 GLY HA3 H 82 3.690 4.023 -0.333 1
1 553 . 17 1 1 A 55 55 GLY C C 82 171.520 173.665 -2.145 1
1 554 . 17 1 1 A 55 55 GLY CA C 82 45.680 45.997 -0.317 1
1 555 . 17 1 1 A 55 55 GLY N N 82 108.400 108.913 -0.513 1
1 556 . 17 1 1 A 56 56 SER H H 83 8.140 7.703 0.437 1
1 557 . 17 1 1 A 56 56 SER HA H 83 4.280 4.988 -0.708 1
1 560 . 17 1 1 A 56 56 SER C C 83 171.900 173.696 -1.796 1
1 561 . 17 1 1 A 56 56 SER CA C 83 59.270 57.089 2.181 1
1 562 . 17 1 1 A 56 56 SER CB C 83 63.960 65.648 -1.688 1
1 563 . 17 1 1 A 56 56 SER N N 83 114.650 111.219 3.431 1
1 564 . 17 1 1 A 57 57 ASP H H 84 8.340 9.067 -0.727 1
1 565 . 17 1 1 A 57 57 ASP HA H 84 4.430 4.304 0.126 1
1 568 . 17 1 1 A 57 57 ASP C C 84 173.100 178.493 -5.393 1
1 569 . 17 1 1 A 57 57 ASP CA C 84 54.950 57.198 -2.248 1
1 570 . 17 1 1 A 57 57 ASP CB C 84 40.840 41.100 -0.260 1
1 571 . 17 1 1 A 57 57 ASP N N 84 121.230 124.993 -3.763 1
1 572 . 17 1 1 A 58 58 PHE H H 85 7.730 7.956 -0.226 1
1 573 . 17 1 1 A 58 58 PHE HA H 85 4.260 4.141 0.119 1
1 581 . 17 1 1 A 58 58 PHE C C 85 172.590 176.266 -3.676 1
1 582 . 17 1 1 A 58 58 PHE CA C 85 58.520 60.010 -1.490 1
1 583 . 17 1 1 A 58 58 PHE CB C 85 39.840 39.935 -0.095 1
1 584 . 17 1 1 A 58 58 PHE N N 85 118.920 121.274 -2.354 1
1 585 . 17 1 1 A 59 59 GLN H H 86 7.790 8.080 -0.290 1
1 586 . 17 1 1 A 59 59 GLN HA H 86 4.070 4.486 -0.416 1
1 593 . 17 1 1 A 59 59 GLN C C 86 172.550 175.452 -2.902 1
1 594 . 17 1 1 A 59 59 GLN CA C 86 56.000 55.061 0.939 1
1 595 . 17 1 1 A 59 59 GLN CB C 86 30.600 27.107 3.493 1
1 597 . 17 1 1 A 59 59 GLN N N 86 120.280 116.866 3.414 1
1 599 . 17 1 1 A 60 60 CYS H H 87 8.100 8.057 0.043 1
1 600 . 17 1 1 A 60 60 CYS HA H 87 4.140 4.806 -0.666 1
1 603 . 17 1 1 A 60 60 CYS C C 87 170.910 173.077 -2.167 1
1 604 . 17 1 1 A 60 60 CYS CA C 87 56.810 55.613 1.197 1
1 605 . 17 1 1 A 60 60 CYS CB C 87 40.780 43.689 -2.909 1
1 606 . 17 1 1 A 60 60 CYS N N 87 118.790 124.049 -5.259 1
1 607 . 17 1 1 A 61 61 LYS H H 88 7.610 7.536 0.074 1
1 608 . 17 1 1 A 61 61 LYS HA H 88 4.280 4.390 -0.110 1
1 617 . 17 1 1 A 61 61 LYS C C 88 172.330 175.473 -3.143 1
1 618 . 17 1 1 A 61 61 LYS CA C 88 56.210 55.498 0.712 1
1 619 . 17 1 1 A 61 61 LYS CB C 88 34.210 34.021 0.189 1
1 623 . 17 1 1 A 61 61 LYS N N 88 120.330 119.788 0.542 1
1 624 . 17 1 1 A 62 62 ASP H H 89 8.180 8.766 -0.586 1
1 625 . 17 1 1 A 62 62 ASP HA H 89 4.500 5.170 -0.670 1
1 628 . 17 1 1 A 62 62 ASP C C 89 172.970 175.327 -2.357 1
1 629 . 17 1 1 A 62 62 ASP CA C 89 54.200 53.207 0.993 1
1 630 . 17 1 1 A 62 62 ASP CB C 89 42.090 42.377 -0.287 1
1 631 . 17 1 1 A 62 62 ASP N N 89 121.190 120.878 0.312 1
1 632 . 17 1 1 A 63 63 SER H H 90 8.190 8.886 -0.696 1
1 633 . 17 1 1 A 63 63 SER HA H 90 4.640 4.742 -0.102 1
1 636 . 17 1 1 A 63 63 SER C C 90 170.240 174.131 -3.891 1
1 637 . 17 1 1 A 63 63 SER CA C 90 56.600 57.370 -0.770 1
1 638 . 17 1 1 A 63 63 SER CB C 90 63.770 62.777 0.993 1
1 639 . 17 1 1 A 63 63 SER N N 90 116.710 120.626 -3.916 1
1 640 . 17 1 1 A 64 64 PRO HA H 91 4.350 4.605 -0.255 1
1 647 . 17 1 1 A 64 64 PRO CA C 91 63.800 62.693 1.107 1
1 648 . 17 1 1 A 64 64 PRO CB C 91 32.410 29.406 3.004 1
1 651 . 17 1 1 A 65 65 LYS H H 92 8.240 8.010 0.230 1
1 652 . 17 1 1 A 65 65 LYS HA H 92 4.210 4.577 -0.367 1
1 661 . 17 1 1 A 65 65 LYS C C 92 173.330 175.704 -2.374 1
1 662 . 17 1 1 A 65 65 LYS CA C 92 56.410 55.474 0.936 1
1 663 . 17 1 1 A 65 65 LYS CB C 92 33.230 32.670 0.560 1
1 667 . 17 1 1 A 65 65 LYS N N 92 120.180 118.369 1.811 1
1 668 . 17 1 1 A 66 66 ALA H H 93 8.040 7.474 0.566 1
1 669 . 17 1 1 A 66 66 ALA HA H 93 4.210 4.695 -0.485 1
1 673 . 17 1 1 A 66 66 ALA C C 93 174.580 175.582 -1.002 1
1 674 . 17 1 1 A 66 66 ALA CA C 93 53.020 50.921 2.099 1
1 675 . 17 1 1 A 66 66 ALA CB C 93 19.760 21.865 -2.105 1
1 676 . 17 1 1 A 66 66 ALA N N 93 124.050 119.771 4.279 1
1 677 . 17 1 1 A 67 67 GLN H H 94 8.320 8.562 -0.242 1
1 678 . 17 1 1 A 67 67 GLN HA H 94 4.190 4.240 -0.050 1
1 685 . 17 1 1 A 67 67 GLN C C 94 172.780 175.339 -2.559 1
1 686 . 17 1 1 A 67 67 GLN CA C 94 56.750 54.650 2.100 1
1 687 . 17 1 1 A 67 67 GLN CB C 94 29.100 30.151 -1.051 1
1 689 . 17 1 1 A 67 67 GLN N N 94 117.930 118.471 -0.541 1
1 691 . 17 1 1 A 68 68 LEU H H 95 7.730 7.991 -0.261 1
1 692 . 17 1 1 A 68 68 LEU HA H 95 4.360 4.388 -0.028 1
1 702 . 17 1 1 A 68 68 LEU C C 95 174.270 176.777 -2.507 1
1 703 . 17 1 1 A 68 68 LEU CA C 95 54.970 54.938 0.032 1
1 704 . 17 1 1 A 68 68 LEU CB C 95 43.120 43.074 0.046 1
1 708 . 17 1 1 A 68 68 LEU N N 95 120.470 123.599 -3.129 1
1 709 . 17 1 1 A 69 69 ARG H H 96 8.600 8.567 0.033 1
1 710 . 17 1 1 A 69 69 ARG HA H 96 4.230 4.495 -0.265 1
1 718 . 17 1 1 A 69 69 ARG C C 96 171.700 176.300 -4.600 1
1 719 . 17 1 1 A 69 69 ARG CA C 96 56.570 56.964 -0.394 1
1 720 . 17 1 1 A 69 69 ARG CB C 96 30.660 31.139 -0.479 1
1 723 . 17 1 1 A 69 69 ARG N N 96 121.670 122.931 -1.261 1
1 725 . 17 1 1 A 70 70 ARG H H 97 7.800 8.761 -0.961 1
1 726 . 17 1 1 A 70 70 ARG HA H 97 5.170 5.142 0.028 1
1 734 . 17 1 1 A 70 70 ARG C C 97 172.120 173.233 -1.113 1
1 735 . 17 1 1 A 70 70 ARG CA C 97 55.260 54.730 0.530 1
1 736 . 17 1 1 A 70 70 ARG CB C 97 34.040 34.132 -0.092 1
1 739 . 17 1 1 A 70 70 ARG N N 97 120.130 119.507 0.623 1
1 741 . 17 1 1 A 71 71 THR H H 98 8.610 8.201 0.409 1
1 742 . 17 1 1 A 71 71 THR HA H 98 4.600 5.197 -0.597 1
1 747 . 17 1 1 A 71 71 THR C C 98 169.250 173.540 -4.290 1
1 748 . 17 1 1 A 71 71 THR CA C 98 62.030 61.547 0.483 1
1 749 . 17 1 1 A 71 71 THR CB C 98 71.970 72.215 -0.245 1
1 751 . 17 1 1 A 71 71 THR N N 98 118.550 114.176 4.374 1
1 752 . 17 1 1 A 72 72 ILE H H 99 8.520 8.628 -0.108 1
1 753 . 17 1 1 A 72 72 ILE HA H 99 5.080 5.064 0.016 1
1 763 . 17 1 1 A 72 72 ILE C C 99 170.930 172.987 -2.057 1
1 764 . 17 1 1 A 72 72 ILE CA C 99 59.370 59.381 -0.011 1
1 765 . 17 1 1 A 72 72 ILE CB C 99 42.140 42.320 -0.180 1
1 769 . 17 1 1 A 72 72 ILE N N 99 125.230 122.722 2.508 1
1 770 . 17 1 1 A 73 73 GLU H H 100 8.860 8.685 0.175 1
1 771 . 17 1 1 A 73 73 GLU HA H 100 4.670 4.974 -0.304 1
1 776 . 17 1 1 A 73 73 GLU C C 100 172.200 174.728 -2.528 1
1 777 . 17 1 1 A 73 73 GLU CA C 100 55.840 55.104 0.736 1
1 778 . 17 1 1 A 73 73 GLU CB C 100 34.410 34.297 0.113 1
1 780 . 17 1 1 A 73 73 GLU N N 100 125.680 125.870 -0.190 1
1 781 . 17 1 1 A 74 74 CYS H H 101 8.830 9.031 -0.201 1
1 782 . 17 1 1 A 74 74 CYS HA H 101 5.790 5.568 0.222 1
1 785 . 17 1 1 A 74 74 CYS C C 101 170.360 172.222 -1.862 1
1 786 . 17 1 1 A 74 74 CYS CA C 101 55.010 54.148 0.862 1
1 787 . 17 1 1 A 74 74 CYS CB C 101 45.320 46.441 -1.121 1
1 788 . 17 1 1 A 74 74 CYS N N 101 119.260 116.875 2.385 1
1 789 . 17 1 1 A 75 75 CYS H H 102 9.130 8.584 0.546 1
1 790 . 17 1 1 A 75 75 CYS HA H 102 5.000 5.251 -0.251 1
1 793 . 17 1 1 A 75 75 CYS C C 102 170.670 171.793 -1.123 1
1 794 . 17 1 1 A 75 75 CYS CA C 102 56.180 55.362 0.818 1
1 795 . 17 1 1 A 75 75 CYS CB C 102 46.090 46.337 -0.247 1
1 796 . 17 1 1 A 75 75 CYS N N 102 116.460 118.375 -1.915 1
1 797 . 17 1 1 A 76 76 ARG H H 103 9.240 9.064 0.176 1
1 798 . 17 1 1 A 76 76 ARG HA H 103 4.800 4.658 0.142 1
1 806 . 17 1 1 A 76 76 ARG C C 103 172.120 174.597 -2.477 1
1 807 . 17 1 1 A 76 76 ARG CA C 103 56.230 55.027 1.203 1
1 808 . 17 1 1 A 76 76 ARG CB C 103 32.610 29.860 2.750 1
1 811 . 17 1 1 A 76 76 ARG N N 103 122.520 125.046 -2.526 1
1 813 . 17 1 1 A 77 77 THR H H 104 7.440 7.766 -0.326 1
1 814 . 17 1 1 A 77 77 THR HA H 104 4.600 5.111 -0.511 1
1 819 . 17 1 1 A 77 77 THR C C 104 171.890 173.385 -1.495 1
1 820 . 17 1 1 A 77 77 THR CA C 104 61.270 59.537 1.733 1
1 821 . 17 1 1 A 77 77 THR CB C 104 72.490 72.137 0.353 1
1 823 . 17 1 1 A 77 77 THR N N 104 109.730 112.054 -2.324 1
1 824 . 17 1 1 A 78 78 ASN H H 105 8.590 8.664 -0.074 1
1 825 . 17 1 1 A 78 78 ASN HA H 105 4.790 4.668 0.122 1
1 830 . 17 1 1 A 78 78 ASN C C 105 174.150 175.283 -1.133 1
1 831 . 17 1 1 A 78 78 ASN CA C 105 55.870 54.071 1.799 1
1 832 . 17 1 1 A 78 78 ASN CB C 105 39.260 38.240 1.020 1
1 833 . 17 1 1 A 78 78 ASN N N 105 119.360 119.590 -0.230 1
1 835 . 17 1 1 A 79 79 LEU H H 106 9.980 8.752 1.228 1
1 836 . 17 1 1 A 79 79 LEU HA H 106 3.680 3.941 -0.261 1
1 846 . 17 1 1 A 79 79 LEU C C 106 175.050 177.519 -2.469 1
1 847 . 17 1 1 A 79 79 LEU CA C 106 56.790 56.081 0.709 1
1 848 . 17 1 1 A 79 79 LEU CB C 106 38.920 39.336 -0.416 1
1 852 . 17 1 1 A 79 79 LEU N N 106 118.230 117.725 0.505 1
1 853 . 17 1 1 A 80 80 CYS H H 107 8.250 8.007 0.243 1
1 854 . 17 1 1 A 80 80 CYS HA H 107 4.320 4.364 -0.044 1
1 857 . 17 1 1 A 80 80 CYS C C 107 172.470 176.104 -3.634 1
1 858 . 17 1 1 A 80 80 CYS CA C 107 58.370 58.784 -0.414 1
1 859 . 17 1 1 A 80 80 CYS CB C 107 46.090 42.117 3.973 1
1 860 . 17 1 1 A 80 80 CYS N N 107 115.460 116.645 -1.185 1
1 861 . 17 1 1 A 81 81 ASN H H 108 8.590 7.920 0.670 1
1 862 . 17 1 1 A 81 81 ASN HA H 108 4.430 4.582 -0.152 1
1 867 . 17 1 1 A 81 81 ASN C C 108 172.210 177.742 -5.532 1
1 868 . 17 1 1 A 81 81 ASN CA C 108 53.320 55.573 -2.253 1
1 869 . 17 1 1 A 81 81 ASN CB C 108 37.290 38.038 -0.748 1
1 870 . 17 1 1 A 81 81 ASN N N 108 118.040 120.476 -2.436 1
1 872 . 17 1 1 A 82 82 GLN H H 109 7.490 7.810 -0.320 1
1 873 . 17 1 1 A 82 82 GLN HA H 109 3.380 3.595 -0.215 1
1 880 . 17 1 1 A 82 82 GLN C C 109 172.300 176.877 -4.577 1
1 881 . 17 1 1 A 82 82 GLN CA C 109 58.940 58.204 0.736 1
1 882 . 17 1 1 A 82 82 GLN CB C 109 28.770 27.760 1.010 1
1 884 . 17 1 1 A 82 82 GLN N N 109 121.350 120.233 1.117 1
1 886 . 17 1 1 A 83 83 TYR H H 110 7.830 7.680 0.150 1
1 887 . 17 1 1 A 83 83 TYR HA H 110 4.590 4.668 -0.078 1
1 892 . 17 1 1 A 83 83 TYR CA C 110 56.490 57.352 -0.862 1
1 893 . 17 1 1 A 83 83 TYR CB C 110 38.400 38.127 0.273 1
1 894 . 17 1 1 A 83 83 TYR N N 110 114.600 116.451 -1.851 1
1 895 . 17 1 1 A 84 84 LEU H H 111 6.610 7.319 -0.709 1
1 896 . 17 1 1 A 84 84 LEU HA H 111 4.170 4.967 -0.797 1
1 905 . 17 1 1 A 84 84 LEU C C 111 172.880 174.706 -1.826 1
1 906 . 17 1 1 A 84 84 LEU CA C 111 55.250 53.542 1.708 1
1 907 . 17 1 1 A 84 84 LEU CB C 111 43.400 44.748 -1.348 1
1 911 . 17 1 1 A 84 84 LEU N N 111 120.140 122.085 -1.945 1
1 912 . 17 1 1 A 85 85 GLN H H 112 8.780 8.979 -0.199 1
1 913 . 17 1 1 A 85 85 GLN HA H 112 4.570 4.898 -0.328 1
1 920 . 17 1 1 A 85 85 GLN C C 112 169.480 174.441 -4.961 1
1 921 . 17 1 1 A 85 85 GLN CA C 112 53.110 52.671 0.439 1
1 922 . 17 1 1 A 85 85 GLN CB C 112 30.000 30.448 -0.448 1
1 924 . 17 1 1 A 85 85 GLN N N 112 122.790 127.584 -4.794 1
1 926 . 17 1 1 A 86 86 PRO HA H 113 4.400 5.153 -0.753 1
1 931 . 17 1 1 A 86 86 PRO CA C 113 63.040 62.456 0.584 1
1 932 . 17 1 1 A 86 86 PRO CB C 113 32.400 32.484 -0.084 1
1 935 . 17 1 1 A 87 87 THR H H 114 8.180 8.543 -0.363 1
1 936 . 17 1 1 A 87 87 THR HA H 114 4.400 5.010 -0.610 1
1 941 . 17 1 1 A 87 87 THR C C 114 172.180 173.333 -1.153 1
1 942 . 17 1 1 A 87 87 THR CA C 114 60.960 59.733 1.227 1
1 943 . 17 1 1 A 87 87 THR CB C 114 71.290 72.108 -0.818 1
1 945 . 17 1 1 A 87 87 THR N N 114 111.930 112.728 -0.798 1
1 946 . 17 1 1 A 88 88 LEU H H 115 8.580 8.601 -0.021 1
1 947 . 17 1 1 A 88 88 LEU HA H 115 4.300 4.859 -0.559 1
1 956 . 17 1 1 A 88 88 LEU C C 115 171.740 174.692 -2.952 1
1 957 . 17 1 1 A 88 88 LEU CA C 115 53.230 53.750 -0.520 1
1 958 . 17 1 1 A 88 88 LEU CB C 115 41.900 41.062 0.838 1
1 962 . 17 1 1 A 88 88 LEU N N 115 125.290 124.580 0.710 1
1 963 . 17 1 1 A 89 89 PRO HA H 116 4.630 4.671 -0.041 1
1 970 . 17 1 1 A 89 89 PRO CA C 116 61.580 61.420 0.160 1
1 971 . 17 1 1 A 89 89 PRO CB C 116 30.980 31.441 -0.461 1
1 974 . 17 1 1 A 90 90 PRO HA H 117 4.350 4.541 -0.191 1
1 977 . 17 1 1 A 90 90 PRO CA C 117 63.010 62.432 0.578 1
1 978 . 17 1 1 A 90 90 PRO CB C 117 32.300 32.346 -0.046 1
1 981 . 17 1 1 A 91 91 VAL H H 118 8.190 8.517 -0.327 1
1 982 . 17 1 1 A 91 91 VAL HA H 118 3.900 4.418 -0.518 1
1 990 . 17 1 1 A 91 91 VAL C C 118 173.270 175.294 -2.024 1
1 991 . 17 1 1 A 91 91 VAL CA C 118 62.890 63.053 -0.163 1
1 992 . 17 1 1 A 91 91 VAL CB C 118 32.980 32.513 0.467 1
1 994 . 17 1 1 A 91 91 VAL N N 118 120.460 121.726 -1.266 1
1 995 . 17 1 1 A 92 92 VAL H H 119 8.180 8.339 -0.159 1
1 996 . 17 1 1 A 92 92 VAL HA H 119 4.040 4.558 -0.518 1
1 1004 . 17 1 1 A 92 92 VAL C C 119 172.960 174.123 -1.163 1
1 1005 . 17 1 1 A 92 92 VAL CA C 119 62.250 61.024 1.226 1
1 1006 . 17 1 1 A 92 92 VAL CB C 119 33.280 35.769 -2.489 1
1 1008 . 17 1 1 A 92 92 VAL N N 119 125.030 122.242 2.788 1
1 1009 . 17 1 1 A 93 93 ILE H H 120 8.220 8.851 -0.631 1
1 1010 . 17 1 1 A 93 93 ILE HA H 120 4.110 4.423 -0.313 1
1 1015 . 17 1 1 A 93 93 ILE C C 120 173.440 176.225 -2.785 1
1 1016 . 17 1 1 A 93 93 ILE CA C 120 61.050 60.912 0.138 1
1 1017 . 17 1 1 A 93 93 ILE CB C 120 39.030 38.637 0.393 1
1 1021 . 17 1 1 A 93 93 ILE N N 120 125.690 127.067 -1.377 1
1 1022 . 17 1 1 A 94 94 GLY H H 121 8.190 8.785 -0.595 1
1 1023 . 17 1 1 A 94 94 GLY HA2 H 121 4.050 3.913 0.137 1
1 1024 . 17 1 1 A 94 94 GLY HA3 H 121 3.940 3.921 0.019 1
1 1025 . 17 1 1 A 94 94 GLY C C 121 169.080 175.335 -6.255 1
1 1026 . 17 1 1 A 94 94 GLY CA C 121 44.850 47.961 -3.111 1
1 1027 . 17 1 1 A 94 94 GLY N N 121 113.150 115.658 -2.508 1
1 1028 . 17 1 1 A 95 95 PRO HA H 122 4.270 4.707 -0.437 1
1 1032 . 17 1 1 A 95 95 PRO CA C 122 63.340 63.063 0.277 1
1 1033 . 17 1 1 A 95 95 PRO CB C 122 32.160 33.177 -1.017 1
1 1036 . 17 1 1 A 96 96 PHE H H 123 8.140 8.516 -0.376 1
1 1037 . 17 1 1 A 96 96 PHE HA H 123 4.510 5.210 -0.700 1
1 1040 . 17 1 1 A 96 96 PHE C C 123 172.700 173.117 -0.417 1
1 1041 . 17 1 1 A 96 96 PHE CA C 123 58.040 56.091 1.949 1
1 1042 . 17 1 1 A 96 96 PHE CB C 123 39.710 41.968 -2.258 1
1 1043 . 17 1 1 A 96 96 PHE N N 123 119.410 117.370 2.040 1
1 1044 . 17 1 1 A 97 97 PHE H H 124 8.000 8.698 -0.698 1
1 1045 . 17 1 1 A 97 97 PHE HA H 124 4.490 5.118 -0.628 1
1 1048 . 17 1 1 A 97 97 PHE C C 124 172.140 172.919 -0.779 1
1 1049 . 17 1 1 A 97 97 PHE CA C 124 58.000 55.785 2.215 1
1 1050 . 17 1 1 A 97 97 PHE CB C 124 40.140 40.814 -0.674 1
1 1051 . 17 1 1 A 97 97 PHE N N 124 122.180 116.016 6.164 1
1 1052 . 17 1 1 A 98 98 ASP H H 125 8.100 8.831 -0.731 1
1 1053 . 17 1 1 A 98 98 ASP HA H 125 4.400 4.860 -0.460 1
1 1056 . 17 1 1 A 98 98 ASP C C 125 173.870 176.128 -2.258 1
1 1057 . 17 1 1 A 98 98 ASP CA C 125 54.470 53.827 0.643 1
1 1058 . 17 1 1 A 98 98 ASP CB C 125 41.390 41.224 0.166 1
1 1059 . 17 1 1 A 98 98 ASP N N 125 123.000 119.979 3.021 1
1 1060 . 17 1 1 A 99 99 GLY H H 126 8.010 8.658 -0.648 1
1 1061 . 17 1 1 A 99 99 GLY HA3 H 126 3.860 4.281 -0.421 1
1 1062 . 17 1 1 A 99 99 GLY C C 126 171.640 173.396 -1.756 1
1 1063 . 17 1 1 A 99 99 GLY CA C 126 45.860 45.882 -0.022 1
1 1064 . 17 1 1 A 99 99 GLY N N 126 109.280 110.860 -1.580 1
1 1065 . 17 1 1 A 100 100 SER H H 127 8.110 8.076 0.034 1
1 1066 . 17 1 1 A 100 100 SER HA H 127 4.320 4.485 -0.165 1
1 1069 . 17 1 1 A 100 100 SER C C 127 171.520 173.740 -2.220 1
1 1070 . 17 1 1 A 100 100 SER CA C 127 59.190 59.172 0.018 1
1 1071 . 17 1 1 A 100 100 SER CB C 127 64.240 63.854 0.386 1
1 1072 . 17 1 1 A 100 100 SER N N 127 115.760 117.534 -1.774 1
1 1073 . 17 1 1 A 101 101 ILE H H 128 7.960 8.566 -0.606 1
1 1074 . 17 1 1 A 101 101 ILE HA H 128 4.110 4.627 -0.517 1
1 1084 . 17 1 1 A 101 101 ILE C C 128 172.590 175.369 -2.779 1
1 1085 . 17 1 1 A 101 101 ILE CA C 128 61.800 60.122 1.678 1
1 1086 . 17 1 1 A 101 101 ILE CB C 128 38.820 39.109 -0.289 1
1 1090 . 17 1 1 A 101 101 ILE N N 128 122.050 126.330 -4.280 1
1 1 . 18 1 1 A 2 2 PRO HA H 29 4.310 4.597 -0.287 1
1 8 . 18 1 1 A 2 2 PRO CA C 29 64.380 63.266 1.114 1
1 9 . 18 1 1 A 2 2 PRO CB C 29 32.300 31.627 0.673 1
1 12 . 18 1 1 A 3 3 GLU H H 30 9.010 8.762 0.248 1
1 13 . 18 1 1 A 3 3 GLU HA H 30 4.170 4.507 -0.337 1
1 18 . 18 1 1 A 3 3 GLU C C 30 173.730 175.458 -1.728 1
1 19 . 18 1 1 A 3 3 GLU CA C 30 57.560 55.987 1.573 1
1 20 . 18 1 1 A 3 3 GLU CB C 30 29.400 29.127 0.273 1
1 22 . 18 1 1 A 3 3 GLU N N 30 118.790 121.964 -3.174 1
1 23 . 18 1 1 A 4 4 ASP H H 31 7.940 7.975 -0.035 1
1 24 . 18 1 1 A 4 4 ASP HA H 31 4.560 4.643 -0.083 1
1 27 . 18 1 1 A 4 4 ASP C C 31 173.600 174.648 -1.048 1
1 28 . 18 1 1 A 4 4 ASP CA C 31 54.940 53.506 1.434 1
1 29 . 18 1 1 A 4 4 ASP CB C 31 41.650 39.535 2.115 1
1 30 . 18 1 1 A 4 4 ASP N N 31 119.920 122.626 -2.706 1
1 31 . 18 1 1 A 5 5 THR H H 32 7.810 8.485 -0.675 1
1 32 . 18 1 1 A 5 5 THR HA H 32 4.160 5.045 -0.885 1
1 37 . 18 1 1 A 5 5 THR C C 32 171.630 173.692 -2.062 1
1 38 . 18 1 1 A 5 5 THR CA C 32 62.410 61.890 0.520 1
1 39 . 18 1 1 A 5 5 THR CB C 32 70.040 71.074 -1.034 1
1 41 . 18 1 1 A 5 5 THR N N 32 113.570 119.444 -5.874 1
1 42 . 18 1 1 A 6 6 LEU H H 33 8.100 8.908 -0.808 1
1 43 . 18 1 1 A 6 6 LEU HA H 33 4.490 4.828 -0.338 1
1 53 . 18 1 1 A 6 6 LEU C C 33 172.440 174.328 -1.888 1
1 54 . 18 1 1 A 6 6 LEU CA C 33 53.430 51.357 2.073 1
1 55 . 18 1 1 A 6 6 LEU CB C 33 41.900 45.574 -3.674 1
1 59 . 18 1 1 A 6 6 LEU N N 33 125.790 126.497 -0.707 1
1 60 . 18 1 1 A 7 7 PRO HA H 34 4.130 4.798 -0.668 1
1 67 . 18 1 1 A 7 7 PRO CA C 34 63.660 63.022 0.638 1
1 68 . 18 1 1 A 7 7 PRO CB C 34 31.970 32.546 -0.576 1
1 71 . 18 1 1 A 8 8 PHE H H 35 7.610 8.664 -1.054 1
1 72 . 18 1 1 A 8 8 PHE HA H 35 4.580 4.852 -0.272 1
1 77 . 18 1 1 A 8 8 PHE C C 35 171.110 174.684 -3.574 1
1 78 . 18 1 1 A 8 8 PHE CA C 35 57.690 56.173 1.517 1
1 79 . 18 1 1 A 8 8 PHE CB C 35 40.850 38.811 2.039 1
1 80 . 18 1 1 A 8 8 PHE N N 35 117.670 116.866 0.804 1
1 81 . 18 1 1 A 9 9 LEU H H 36 8.310 7.455 0.855 1
1 82 . 18 1 1 A 9 9 LEU HA H 36 4.420 4.629 -0.209 1
1 92 . 18 1 1 A 9 9 LEU C C 36 171.050 173.949 -2.899 1
1 93 . 18 1 1 A 9 9 LEU CA C 36 54.770 54.397 0.373 1
1 94 . 18 1 1 A 9 9 LEU CB C 36 44.230 45.239 -1.009 1
1 98 . 18 1 1 A 9 9 LEU N N 36 125.150 121.374 3.776 1
1 99 . 18 1 1 A 10 10 LYS H H 37 8.130 9.260 -1.130 1
1 100 . 18 1 1 A 10 10 LYS HA H 37 5.110 5.258 -0.148 1
1 109 . 18 1 1 A 10 10 LYS C C 37 172.470 175.100 -2.630 1
1 110 . 18 1 1 A 10 10 LYS CA C 37 54.730 54.990 -0.260 1
1 111 . 18 1 1 A 10 10 LYS CB C 37 35.010 34.180 0.830 1
1 115 . 18 1 1 A 10 10 LYS N N 37 123.550 128.004 -4.454 1
1 116 . 18 1 1 A 11 11 CYS H H 38 9.240 8.820 0.420 1
1 117 . 18 1 1 A 11 11 CYS HA H 38 4.890 5.455 -0.565 1
1 120 . 18 1 1 A 11 11 CYS C C 38 171.750 171.949 -0.199 1
1 121 . 18 1 1 A 11 11 CYS CA C 38 51.950 54.617 -2.667 1
1 122 . 18 1 1 A 11 11 CYS CB C 38 41.360 45.565 -4.205 1
1 123 . 18 1 1 A 11 11 CYS N N 38 121.580 123.755 -2.175 1
1 124 . 18 1 1 A 12 12 TYR H H 39 8.830 8.890 -0.060 1
1 125 . 18 1 1 A 12 12 TYR HA H 39 4.780 4.662 0.118 1
1 132 . 18 1 1 A 12 12 TYR C C 39 172.260 174.841 -2.581 1
1 133 . 18 1 1 A 12 12 TYR CA C 39 58.500 58.972 -0.472 1
1 134 . 18 1 1 A 12 12 TYR CB C 39 40.900 39.288 1.612 1
1 135 . 18 1 1 A 12 12 TYR N N 39 122.390 125.559 -3.169 1
1 136 . 18 1 1 A 13 13 CYS H H 40 7.690 7.921 -0.231 1
1 137 . 18 1 1 A 13 13 CYS HA H 40 4.420 5.713 -1.293 1
1 140 . 18 1 1 A 13 13 CYS CA C 40 53.850 54.136 -0.286 1
1 141 . 18 1 1 A 13 13 CYS CB C 40 48.920 45.174 3.746 1
1 142 . 18 1 1 A 14 14 SER H H 41 7.850 8.720 -0.870 1
1 143 . 18 1 1 A 14 14 SER HA H 41 4.160 4.967 -0.807 1
1 146 . 18 1 1 A 14 14 SER CA C 41 58.450 57.322 1.128 1
1 147 . 18 1 1 A 14 14 SER CB C 41 63.840 66.425 -2.585 1
1 148 . 18 1 1 A 14 14 SER N N 41 117.020 119.096 -2.076 1
1 149 . 18 1 1 A 16 16 HIS HA H 43 4.880 4.861 0.019 1
1 152 . 18 1 1 A 16 16 HIS CA C 43 54.770 55.196 -0.426 1
1 153 . 18 1 1 A 16 16 HIS CB C 43 29.490 31.552 -2.062 1
1 154 . 18 1 1 A 17 17 CYS H H 44 8.560 8.713 -0.153 1
1 155 . 18 1 1 A 18 18 PRO HA H 45 4.660 4.583 0.077 1
1 160 . 18 1 1 A 18 18 PRO CA C 45 62.500 62.802 -0.302 1
1 161 . 18 1 1 A 18 18 PRO CB C 45 33.140 32.809 0.331 1
1 164 . 18 1 1 A 19 19 ASP H H 46 8.800 8.648 0.152 1
1 165 . 18 1 1 A 19 19 ASP HA H 46 4.250 4.308 -0.058 1
1 168 . 18 1 1 A 19 19 ASP C C 46 173.430 176.527 -3.097 1
1 169 . 18 1 1 A 19 19 ASP CA C 46 57.190 56.947 0.243 1
1 170 . 18 1 1 A 19 19 ASP CB C 46 40.720 40.607 0.113 1
1 171 . 18 1 1 A 19 19 ASP N N 46 120.170 121.939 -1.769 1
1 172 . 18 1 1 A 20 20 ASP H H 47 8.050 8.261 -0.211 1
1 173 . 18 1 1 A 20 20 ASP HA H 47 4.510 4.643 -0.133 1
1 176 . 18 1 1 A 20 20 ASP C C 47 173.500 176.008 -2.508 1
1 177 . 18 1 1 A 20 20 ASP CA C 47 52.840 53.078 -0.238 1
1 178 . 18 1 1 A 20 20 ASP CB C 47 39.980 39.739 0.241 1
1 179 . 18 1 1 A 20 20 ASP N N 47 114.670 114.901 -0.231 1
1 180 . 18 1 1 A 21 21 ALA H H 48 7.350 7.290 0.060 1
1 181 . 18 1 1 A 21 21 ALA HA H 48 4.280 4.276 0.004 1
1 185 . 18 1 1 A 21 21 ALA C C 48 174.490 176.489 -1.999 1
1 186 . 18 1 1 A 21 21 ALA CA C 48 53.430 52.383 1.047 1
1 187 . 18 1 1 A 21 21 ALA CB C 48 20.870 20.054 0.816 1
1 188 . 18 1 1 A 21 21 ALA N N 48 122.660 122.605 0.055 1
1 189 . 18 1 1 A 22 22 ILE H H 49 7.960 8.155 -0.195 1
1 190 . 18 1 1 A 22 22 ILE HA H 49 4.240 4.576 -0.336 1
1 199 . 18 1 1 A 22 22 ILE C C 49 173.300 176.260 -2.960 1
1 200 . 18 1 1 A 22 22 ILE CA C 49 60.230 59.626 0.604 1
1 201 . 18 1 1 A 22 22 ILE CB C 49 40.280 40.247 0.033 1
1 205 . 18 1 1 A 22 22 ILE N N 49 119.550 119.792 -0.242 1
1 206 . 18 1 1 A 23 23 ASN H H 50 9.280 9.098 0.182 1
1 207 . 18 1 1 A 23 23 ASN HA H 50 4.290 4.455 -0.165 1
1 212 . 18 1 1 A 23 23 ASN CA C 50 54.660 53.869 0.791 1
1 213 . 18 1 1 A 23 23 ASN CB C 50 37.620 36.168 1.452 1
1 214 . 18 1 1 A 23 23 ASN N N 50 125.470 125.199 0.271 1
1 216 . 18 1 1 A 24 24 ASN H H 51 8.850 8.470 0.380 1
1 217 . 18 1 1 A 24 24 ASN HA H 51 4.070 4.054 0.016 1
1 222 . 18 1 1 A 24 24 ASN C C 51 170.660 173.638 -2.978 1
1 223 . 18 1 1 A 24 24 ASN CA C 51 56.080 54.361 1.719 1
1 224 . 18 1 1 A 24 24 ASN CB C 51 37.430 36.766 0.664 1
1 226 . 18 1 1 A 25 25 THR H H 52 7.190 7.479 -0.289 1
1 227 . 18 1 1 A 25 25 THR HA H 52 5.370 5.103 0.267 1
1 232 . 18 1 1 A 25 25 THR C C 52 169.910 172.341 -2.431 1
1 233 . 18 1 1 A 25 25 THR CA C 52 59.890 59.592 0.298 1
1 234 . 18 1 1 A 25 25 THR CB C 52 73.940 72.453 1.487 1
1 236 . 18 1 1 A 25 25 THR N N 52 105.820 106.111 -0.291 1
1 237 . 18 1 1 A 26 26 CYS H H 53 8.960 8.946 0.014 1
1 238 . 18 1 1 A 26 26 CYS HA H 53 5.000 5.344 -0.344 1
1 241 . 18 1 1 A 26 26 CYS C C 53 168.780 171.285 -2.505 1
1 242 . 18 1 1 A 26 26 CYS CA C 53 52.560 53.648 -1.088 1
1 243 . 18 1 1 A 26 26 CYS CB C 53 48.650 46.571 2.079 1
1 244 . 18 1 1 A 26 26 CYS N N 53 116.070 119.162 -3.092 1
1 245 . 18 1 1 A 27 27 ILE H H 54 8.530 8.407 0.123 1
1 246 . 18 1 1 A 27 27 ILE HA H 54 5.210 4.973 0.237 1
1 256 . 18 1 1 A 27 27 ILE C C 54 173.400 174.894 -1.494 1
1 257 . 18 1 1 A 27 27 ILE CA C 54 59.200 60.182 -0.982 1
1 258 . 18 1 1 A 27 27 ILE CB C 54 40.220 40.209 0.011 1
1 262 . 18 1 1 A 27 27 ILE N N 54 120.170 120.862 -0.692 1
1 263 . 18 1 1 A 28 28 THR H H 55 9.200 8.766 0.434 1
1 264 . 18 1 1 A 28 28 THR HA H 55 4.800 5.299 -0.499 1
1 269 . 18 1 1 A 28 28 THR C C 55 168.370 172.345 -3.975 1
1 270 . 18 1 1 A 28 28 THR CA C 55 60.060 59.491 0.569 1
1 271 . 18 1 1 A 28 28 THR CB C 55 70.490 70.997 -0.507 1
1 273 . 18 1 1 A 28 28 THR N N 55 120.750 119.950 0.800 1
1 274 . 18 1 1 A 29 29 ASN H H 56 8.000 8.472 -0.472 1
1 275 . 18 1 1 A 29 29 ASN HA H 56 4.920 5.013 -0.093 1
1 280 . 18 1 1 A 29 29 ASN C C 56 172.880 175.494 -2.614 1
1 281 . 18 1 1 A 29 29 ASN CA C 56 52.620 51.469 1.151 1
1 282 . 18 1 1 A 29 29 ASN CB C 56 38.920 38.192 0.728 1
1 283 . 18 1 1 A 29 29 ASN N N 56 120.880 123.457 -2.577 1
1 285 . 18 1 1 A 30 30 GLY H H 57 8.510 7.776 0.734 1
1 286 . 18 1 1 A 30 30 GLY HA2 H 57 4.140 3.766 0.374 1
1 287 . 18 1 1 A 30 30 GLY HA3 H 57 3.960 3.873 0.087 1
1 288 . 18 1 1 A 30 30 GLY C C 57 169.020 173.085 -4.065 1
1 289 . 18 1 1 A 30 30 GLY CA C 57 45.800 45.212 0.588 1
1 290 . 18 1 1 A 30 30 GLY N N 57 111.380 109.844 1.536 1
1 291 . 18 1 1 A 31 31 HIS H H 58 8.560 7.365 1.195 1
1 292 . 18 1 1 A 31 31 HIS HA H 58 4.710 5.284 -0.574 1
1 295 . 18 1 1 A 31 31 HIS C C 58 171.200 173.860 -2.660 1
1 296 . 18 1 1 A 31 31 HIS CA C 58 56.140 54.685 1.455 1
1 297 . 18 1 1 A 31 31 HIS CB C 58 34.650 34.180 0.470 1
1 298 . 18 1 1 A 31 31 HIS N N 58 120.870 115.130 5.740 1
1 299 . 18 1 1 A 32 32 CYS H H 59 8.710 8.425 0.285 1
1 300 . 18 1 1 A 32 32 CYS HA H 59 5.700 5.248 0.452 1
1 303 . 18 1 1 A 32 32 CYS C C 59 173.470 173.591 -0.121 1
1 304 . 18 1 1 A 32 32 CYS CA C 59 52.340 55.153 -2.813 1
1 305 . 18 1 1 A 32 32 CYS CB C 59 36.950 44.234 -7.284 1
1 306 . 18 1 1 A 32 32 CYS N N 59 117.290 119.577 -2.287 1
1 307 . 18 1 1 A 33 33 PHE H H 60 8.700 8.461 0.239 1
1 308 . 18 1 1 A 33 33 PHE HA H 60 6.110 5.774 0.336 1
1 316 . 18 1 1 A 33 33 PHE C C 60 172.200 172.967 -0.767 1
1 317 . 18 1 1 A 33 33 PHE CA C 60 56.630 55.435 1.195 1
1 318 . 18 1 1 A 33 33 PHE CB C 60 44.830 42.365 2.465 1
1 319 . 18 1 1 A 33 33 PHE N N 60 116.070 120.069 -3.999 1
1 320 . 18 1 1 A 34 34 ALA H H 61 9.200 8.442 0.758 1
1 321 . 18 1 1 A 34 34 ALA HA H 61 5.000 4.988 0.012 1
1 325 . 18 1 1 A 34 34 ALA C C 61 171.610 175.731 -4.121 1
1 326 . 18 1 1 A 34 34 ALA CA C 61 52.320 51.516 0.804 1
1 327 . 18 1 1 A 34 34 ALA CB C 61 23.950 23.224 0.726 1
1 328 . 18 1 1 A 34 34 ALA N N 61 125.170 121.055 4.115 1
1 329 . 18 1 1 A 35 35 ILE H H 62 9.470 8.672 0.798 1
1 330 . 18 1 1 A 35 35 ILE HA H 62 5.350 4.911 0.439 1
1 340 . 18 1 1 A 35 35 ILE C C 62 170.850 173.217 -2.367 1
1 341 . 18 1 1 A 35 35 ILE CA C 62 59.260 59.443 -0.183 1
1 342 . 18 1 1 A 35 35 ILE CB C 62 43.660 42.357 1.303 1
1 346 . 18 1 1 A 35 35 ILE N N 62 120.630 119.488 1.142 1
1 347 . 18 1 1 A 36 36 ILE H H 63 8.500 8.768 -0.268 1
1 348 . 18 1 1 A 36 36 ILE HA H 63 5.240 5.237 0.003 1
1 358 . 18 1 1 A 36 36 ILE C C 63 170.510 173.065 -2.555 1
1 359 . 18 1 1 A 36 36 ILE CA C 63 59.130 59.221 -0.091 1
1 360 . 18 1 1 A 36 36 ILE CB C 63 41.670 42.451 -0.781 1
1 364 . 18 1 1 A 36 36 ILE N N 63 125.830 126.110 -0.280 1
1 365 . 18 1 1 A 37 37 GLU H H 64 8.450 8.760 -0.310 1
1 366 . 18 1 1 A 37 37 GLU HA H 64 5.010 4.912 0.098 1
1 371 . 18 1 1 A 37 37 GLU C C 64 171.410 174.448 -3.038 1
1 372 . 18 1 1 A 37 37 GLU CA C 64 54.830 55.177 -0.347 1
1 373 . 18 1 1 A 37 37 GLU CB C 64 34.320 33.952 0.368 1
1 375 . 18 1 1 A 37 37 GLU N N 64 124.570 127.039 -2.469 1
1 376 . 18 1 1 A 38 38 GLU H H 65 8.300 8.635 -0.335 1
1 377 . 18 1 1 A 38 38 GLU HA H 65 5.040 5.013 0.027 1
1 382 . 18 1 1 A 38 38 GLU C C 65 172.920 175.930 -3.010 1
1 383 . 18 1 1 A 38 38 GLU CA C 65 54.760 55.075 -0.315 1
1 384 . 18 1 1 A 38 38 GLU CB C 65 33.470 31.467 2.003 1
1 386 . 18 1 1 A 38 38 GLU N N 65 123.960 124.170 -0.210 1
1 387 . 18 1 1 A 39 39 ASP H H 66 8.470 8.286 0.184 1
1 388 . 18 1 1 A 39 39 ASP HA H 66 4.750 4.888 -0.138 1
1 391 . 18 1 1 A 39 39 ASP C C 66 174.940 177.113 -2.173 1
1 392 . 18 1 1 A 39 39 ASP CA C 66 52.890 52.560 0.330 1
1 393 . 18 1 1 A 39 39 ASP CB C 66 41.990 41.458 0.532 1
1 394 . 18 1 1 A 39 39 ASP N N 66 124.870 126.804 -1.934 1
1 395 . 18 1 1 A 40 40 ASP H H 67 8.380 8.755 -0.375 1
1 396 . 18 1 1 A 40 40 ASP HA H 67 4.310 4.264 0.046 1
1 399 . 18 1 1 A 40 40 ASP C C 67 174.210 177.380 -3.170 1
1 400 . 18 1 1 A 40 40 ASP CA C 67 56.350 56.661 -0.311 1
1 401 . 18 1 1 A 40 40 ASP CB C 67 40.510 40.493 0.017 1
1 402 . 18 1 1 A 40 40 ASP N N 67 116.220 118.587 -2.367 1
1 403 . 18 1 1 A 41 41 GLN H H 68 8.200 7.725 0.475 1
1 404 . 18 1 1 A 41 41 GLN HA H 68 4.380 4.373 0.007 1
1 411 . 18 1 1 A 41 41 GLN C C 68 173.740 176.415 -2.675 1
1 412 . 18 1 1 A 41 41 GLN CA C 68 55.590 55.619 -0.029 1
1 413 . 18 1 1 A 41 41 GLN CB C 68 29.780 29.416 0.364 1
1 415 . 18 1 1 A 41 41 GLN N N 68 117.190 116.691 0.499 1
1 417 . 18 1 1 A 42 42 GLY H H 69 8.000 8.193 -0.193 1
1 418 . 18 1 1 A 42 42 GLY HA2 H 69 3.630 3.920 -0.290 1
1 419 . 18 1 1 A 42 42 GLY HA3 H 69 4.140 3.921 0.219 1
1 420 . 18 1 1 A 42 42 GLY C C 69 171.650 174.337 -2.687 1
1 421 . 18 1 1 A 42 42 GLY CA C 69 45.730 45.678 0.052 1
1 422 . 18 1 1 A 42 42 GLY N N 69 108.130 108.493 -0.363 1
1 423 . 18 1 1 A 43 43 GLU H H 70 8.410 8.323 0.087 1
1 424 . 18 1 1 A 43 43 GLU HA H 70 4.450 4.550 -0.100 1
1 429 . 18 1 1 A 43 43 GLU C C 70 173.970 176.541 -2.571 1
1 430 . 18 1 1 A 43 43 GLU CA C 70 56.020 55.643 0.377 1
1 431 . 18 1 1 A 43 43 GLU CB C 70 30.300 30.973 -0.673 1
1 433 . 18 1 1 A 43 43 GLU N N 70 122.300 119.837 2.463 1
1 434 . 18 1 1 A 44 44 THR H H 71 8.620 8.506 0.114 1
1 435 . 18 1 1 A 44 44 THR HA H 71 5.210 5.187 0.023 1
1 440 . 18 1 1 A 44 44 THR C C 71 172.160 174.055 -1.895 1
1 441 . 18 1 1 A 44 44 THR CA C 71 61.600 60.787 0.813 1
1 442 . 18 1 1 A 44 44 THR CB C 71 71.000 70.039 0.961 1
1 444 . 18 1 1 A 44 44 THR N N 71 117.330 114.856 2.474 1
1 445 . 18 1 1 A 45 45 THR H H 72 8.760 8.638 0.122 1
1 446 . 18 1 1 A 45 45 THR HA H 72 4.500 5.075 -0.575 1
1 451 . 18 1 1 A 45 45 THR C C 72 169.600 173.599 -3.999 1
1 452 . 18 1 1 A 45 45 THR CA C 72 61.270 60.566 0.704 1
1 453 . 18 1 1 A 45 45 THR CB C 72 72.320 70.048 2.272 1
1 455 . 18 1 1 A 45 45 THR N N 72 117.840 118.096 -0.256 1
1 456 . 18 1 1 A 46 46 LEU H H 73 8.400 9.176 -0.776 1
1 457 . 18 1 1 A 46 46 LEU HA H 73 5.250 5.073 0.177 1
1 464 . 18 1 1 A 46 46 LEU C C 73 173.150 175.549 -2.399 1
1 465 . 18 1 1 A 46 46 LEU CA C 73 54.300 53.855 0.445 1
1 466 . 18 1 1 A 46 46 LEU CB C 73 44.860 43.499 1.361 1
1 470 . 18 1 1 A 46 46 LEU N N 73 126.020 127.657 -1.637 1
1 471 . 18 1 1 A 47 47 ALA HA H 74 4.760 5.491 -0.731 1
1 475 . 18 1 1 A 47 47 ALA C C 74 172.740 175.451 -2.711 1
1 476 . 18 1 1 A 47 47 ALA CA C 74 51.440 50.978 0.462 1
1 477 . 18 1 1 A 47 47 ALA CB C 74 23.350 23.589 -0.239 1
1 478 . 18 1 1 A 48 48 SER H H 75 8.700 8.303 0.397 1
1 479 . 18 1 1 A 48 48 SER HA H 75 4.500 4.591 -0.091 1
1 482 . 18 1 1 A 48 48 SER C C 75 171.590 172.853 -1.263 1
1 483 . 18 1 1 A 48 48 SER CA C 75 57.740 56.407 1.333 1
1 484 . 18 1 1 A 48 48 SER CB C 75 65.700 65.991 -0.291 1
1 485 . 18 1 1 A 48 48 SER N N 75 111.400 114.188 -2.788 1
1 486 . 18 1 1 A 49 49 GLY H H 76 6.440 7.186 -0.746 1
1 487 . 18 1 1 A 49 49 GLY HA2 H 76 3.850 3.856 -0.006 1
1 488 . 18 1 1 A 49 49 GLY HA3 H 76 3.730 3.858 -0.128 1
1 489 . 18 1 1 A 49 49 GLY C C 76 167.890 171.335 -3.445 1
1 490 . 18 1 1 A 49 49 GLY CA C 76 47.420 45.768 1.652 1
1 491 . 18 1 1 A 49 49 GLY N N 76 105.480 105.390 0.090 1
1 492 . 18 1 1 A 50 50 CYS H H 77 8.740 8.284 0.456 1
1 493 . 18 1 1 A 50 50 CYS HA H 77 4.950 5.321 -0.371 1
1 496 . 18 1 1 A 50 50 CYS C C 77 170.670 172.775 -2.105 1
1 497 . 18 1 1 A 50 50 CYS CA C 77 60.030 55.342 4.688 1
1 498 . 18 1 1 A 50 50 CYS CB C 77 46.100 43.262 2.838 1
1 499 . 18 1 1 A 50 50 CYS N N 77 118.960 119.767 -0.807 1
1 500 . 18 1 1 A 51 51 MET H H 78 9.240 8.959 0.281 1
1 501 . 18 1 1 A 51 51 MET HA H 78 4.760 4.985 -0.225 1
1 509 . 18 1 1 A 51 51 MET C C 78 171.990 175.919 -3.929 1
1 510 . 18 1 1 A 51 51 MET CA C 78 54.630 54.144 0.486 1
1 511 . 18 1 1 A 51 51 MET CB C 78 35.810 34.956 0.854 1
1 514 . 18 1 1 A 51 51 MET N N 78 122.340 125.935 -3.595 1
1 515 . 18 1 1 A 52 52 LYS H H 79 8.430 8.337 0.093 1
1 516 . 18 1 1 A 52 52 LYS HA H 79 4.160 4.265 -0.105 1
1 525 . 18 1 1 A 52 52 LYS C C 79 173.040 175.763 -2.723 1
1 526 . 18 1 1 A 52 52 LYS CA C 79 57.120 56.061 1.059 1
1 527 . 18 1 1 A 52 52 LYS CB C 79 33.720 32.711 1.009 1
1 531 . 18 1 1 A 52 52 LYS N N 79 125.030 124.141 0.889 1
1 532 . 18 1 1 A 53 53 TYR H H 80 8.400 8.706 -0.306 1
1 533 . 18 1 1 A 53 53 TYR HA H 80 4.200 4.537 -0.337 1
1 536 . 18 1 1 A 53 53 TYR C C 80 173.370 175.905 -2.535 1
1 537 . 18 1 1 A 53 53 TYR CA C 80 59.910 57.847 2.063 1
1 538 . 18 1 1 A 53 53 TYR CB C 80 39.000 38.995 0.005 1
1 539 . 18 1 1 A 53 53 TYR N N 80 121.420 120.708 0.712 1
1 540 . 18 1 1 A 54 54 GLU H H 81 8.490 8.788 -0.298 1
1 541 . 18 1 1 A 54 54 GLU HA H 81 4.170 4.471 -0.301 1
1 545 . 18 1 1 A 54 54 GLU C C 81 173.240 176.696 -3.456 1
1 546 . 18 1 1 A 54 54 GLU CA C 81 56.440 55.440 1.000 1
1 547 . 18 1 1 A 54 54 GLU CB C 81 30.860 30.664 0.196 1
1 549 . 18 1 1 A 54 54 GLU N N 81 123.790 120.666 3.124 1
1 550 . 18 1 1 A 55 55 GLY H H 82 7.200 8.228 -1.028 1
1 551 . 18 1 1 A 55 55 GLY HA2 H 82 4.050 4.025 0.025 1
1 552 . 18 1 1 A 55 55 GLY HA3 H 82 3.690 4.052 -0.362 1
1 553 . 18 1 1 A 55 55 GLY C C 82 171.520 174.705 -3.185 1
1 554 . 18 1 1 A 55 55 GLY CA C 82 45.680 45.159 0.521 1
1 555 . 18 1 1 A 55 55 GLY N N 82 108.400 108.300 0.100 1
1 556 . 18 1 1 A 56 56 SER H H 83 8.140 7.901 0.239 1
1 557 . 18 1 1 A 56 56 SER HA H 83 4.280 4.460 -0.180 1
1 560 . 18 1 1 A 56 56 SER C C 83 171.900 174.043 -2.143 1
1 561 . 18 1 1 A 56 56 SER CA C 83 59.270 59.164 0.106 1
1 562 . 18 1 1 A 56 56 SER CB C 83 63.960 63.744 0.216 1
1 563 . 18 1 1 A 56 56 SER N N 83 114.650 116.869 -2.219 1
1 564 . 18 1 1 A 57 57 ASP H H 84 8.340 8.772 -0.432 1
1 565 . 18 1 1 A 57 57 ASP HA H 84 4.430 4.770 -0.340 1
1 568 . 18 1 1 A 57 57 ASP C C 84 173.100 177.014 -3.914 1
1 569 . 18 1 1 A 57 57 ASP CA C 84 54.950 57.093 -2.143 1
1 570 . 18 1 1 A 57 57 ASP CB C 84 40.840 42.410 -1.570 1
1 571 . 18 1 1 A 57 57 ASP N N 84 121.230 126.938 -5.708 1
1 572 . 18 1 1 A 58 58 PHE H H 85 7.730 7.773 -0.043 1
1 573 . 18 1 1 A 58 58 PHE HA H 85 4.260 4.750 -0.490 1
1 581 . 18 1 1 A 58 58 PHE C C 85 172.590 174.883 -2.293 1
1 582 . 18 1 1 A 58 58 PHE CA C 85 58.520 56.945 1.575 1
1 583 . 18 1 1 A 58 58 PHE CB C 85 39.840 40.252 -0.412 1
1 584 . 18 1 1 A 58 58 PHE N N 85 118.920 118.261 0.659 1
1 585 . 18 1 1 A 59 59 GLN H H 86 7.790 7.752 0.038 1
1 586 . 18 1 1 A 59 59 GLN HA H 86 4.070 4.494 -0.424 1
1 593 . 18 1 1 A 59 59 GLN C C 86 172.550 174.695 -2.145 1
1 594 . 18 1 1 A 59 59 GLN CA C 86 56.000 54.918 1.082 1
1 595 . 18 1 1 A 59 59 GLN CB C 86 30.600 26.710 3.890 1
1 597 . 18 1 1 A 59 59 GLN N N 86 120.280 119.925 0.355 1
1 599 . 18 1 1 A 60 60 CYS H H 87 8.100 8.504 -0.404 1
1 600 . 18 1 1 A 60 60 CYS HA H 87 4.140 4.643 -0.503 1
1 603 . 18 1 1 A 60 60 CYS C C 87 170.910 173.108 -2.198 1
1 604 . 18 1 1 A 60 60 CYS CA C 87 56.810 55.024 1.786 1
1 605 . 18 1 1 A 60 60 CYS CB C 87 40.780 42.577 -1.797 1
1 606 . 18 1 1 A 60 60 CYS N N 87 118.790 123.546 -4.756 1
1 607 . 18 1 1 A 61 61 LYS H H 88 7.610 7.533 0.077 1
1 608 . 18 1 1 A 61 61 LYS HA H 88 4.280 4.397 -0.117 1
1 617 . 18 1 1 A 61 61 LYS C C 88 172.330 175.409 -3.079 1
1 618 . 18 1 1 A 61 61 LYS CA C 88 56.210 55.763 0.447 1
1 619 . 18 1 1 A 61 61 LYS CB C 88 34.210 34.020 0.190 1
1 623 . 18 1 1 A 61 61 LYS N N 88 120.330 122.232 -1.902 1
1 624 . 18 1 1 A 62 62 ASP H H 89 8.180 8.709 -0.529 1
1 625 . 18 1 1 A 62 62 ASP HA H 89 4.500 5.227 -0.727 1
1 628 . 18 1 1 A 62 62 ASP C C 89 172.970 175.705 -2.735 1
1 629 . 18 1 1 A 62 62 ASP CA C 89 54.200 52.528 1.672 1
1 630 . 18 1 1 A 62 62 ASP CB C 89 42.090 43.955 -1.865 1
1 631 . 18 1 1 A 62 62 ASP N N 89 121.190 120.326 0.864 1
1 632 . 18 1 1 A 63 63 SER H H 90 8.190 8.967 -0.777 1
1 633 . 18 1 1 A 63 63 SER HA H 90 4.640 4.777 -0.137 1
1 636 . 18 1 1 A 63 63 SER C C 90 170.240 174.838 -4.598 1
1 637 . 18 1 1 A 63 63 SER CA C 90 56.600 56.645 -0.045 1
1 638 . 18 1 1 A 63 63 SER CB C 90 63.770 62.985 0.785 1
1 639 . 18 1 1 A 63 63 SER N N 90 116.710 116.746 -0.036 1
1 640 . 18 1 1 A 64 64 PRO HA H 91 4.350 4.623 -0.273 1
1 647 . 18 1 1 A 64 64 PRO CA C 91 63.800 62.705 1.095 1
1 648 . 18 1 1 A 64 64 PRO CB C 91 32.410 29.473 2.937 1
1 651 . 18 1 1 A 65 65 LYS H H 92 8.240 7.842 0.398 1
1 652 . 18 1 1 A 65 65 LYS HA H 92 4.210 4.535 -0.325 1
1 661 . 18 1 1 A 65 65 LYS C C 92 173.330 175.014 -1.684 1
1 662 . 18 1 1 A 65 65 LYS CA C 92 56.410 55.403 1.007 1
1 663 . 18 1 1 A 65 65 LYS CB C 92 33.230 33.660 -0.430 1
1 667 . 18 1 1 A 65 65 LYS N N 92 120.180 122.144 -1.964 1
1 668 . 18 1 1 A 66 66 ALA H H 93 8.040 7.572 0.468 1
1 669 . 18 1 1 A 66 66 ALA HA H 93 4.210 4.531 -0.321 1
1 673 . 18 1 1 A 66 66 ALA C C 93 174.580 177.184 -2.604 1
1 674 . 18 1 1 A 66 66 ALA CA C 93 53.020 51.804 1.216 1
1 675 . 18 1 1 A 66 66 ALA CB C 93 19.760 19.567 0.193 1
1 676 . 18 1 1 A 66 66 ALA N N 93 124.050 124.080 -0.030 1
1 677 . 18 1 1 A 67 67 GLN H H 94 8.320 8.857 -0.537 1
1 678 . 18 1 1 A 67 67 GLN HA H 94 4.190 4.608 -0.418 1
1 685 . 18 1 1 A 67 67 GLN C C 94 172.780 174.408 -1.628 1
1 686 . 18 1 1 A 67 67 GLN CA C 94 56.750 54.659 2.091 1
1 687 . 18 1 1 A 67 67 GLN CB C 94 29.100 28.393 0.707 1
1 689 . 18 1 1 A 67 67 GLN N N 94 117.930 125.219 -7.289 1
1 691 . 18 1 1 A 68 68 LEU H H 95 7.730 7.493 0.237 1
1 692 . 18 1 1 A 68 68 LEU HA H 95 4.360 4.810 -0.450 1
1 702 . 18 1 1 A 68 68 LEU C C 95 174.270 174.684 -0.414 1
1 703 . 18 1 1 A 68 68 LEU CA C 95 54.970 53.973 0.997 1
1 704 . 18 1 1 A 68 68 LEU CB C 95 43.120 45.672 -2.552 1
1 708 . 18 1 1 A 68 68 LEU N N 95 120.470 124.215 -3.745 1
1 709 . 18 1 1 A 69 69 ARG H H 96 8.600 8.355 0.245 1
1 710 . 18 1 1 A 69 69 ARG HA H 96 4.230 4.658 -0.428 1
1 718 . 18 1 1 A 69 69 ARG C C 96 171.700 175.711 -4.011 1
1 719 . 18 1 1 A 69 69 ARG CA C 96 56.570 56.133 0.437 1
1 720 . 18 1 1 A 69 69 ARG CB C 96 30.660 30.721 -0.061 1
1 723 . 18 1 1 A 69 69 ARG N N 96 121.670 123.932 -2.262 1
1 725 . 18 1 1 A 70 70 ARG H H 97 7.800 8.538 -0.738 1
1 726 . 18 1 1 A 70 70 ARG HA H 97 5.170 4.787 0.383 1
1 734 . 18 1 1 A 70 70 ARG C C 97 172.120 173.928 -1.808 1
1 735 . 18 1 1 A 70 70 ARG CA C 97 55.260 55.728 -0.468 1
1 736 . 18 1 1 A 70 70 ARG CB C 97 34.040 34.222 -0.182 1
1 739 . 18 1 1 A 70 70 ARG N N 97 120.130 124.418 -4.288 1
1 741 . 18 1 1 A 71 71 THR H H 98 8.610 7.973 0.637 1
1 742 . 18 1 1 A 71 71 THR HA H 98 4.600 5.234 -0.634 1
1 747 . 18 1 1 A 71 71 THR C C 98 169.250 173.560 -4.310 1
1 748 . 18 1 1 A 71 71 THR CA C 98 62.030 61.427 0.603 1
1 749 . 18 1 1 A 71 71 THR CB C 98 71.970 72.109 -0.139 1
1 751 . 18 1 1 A 71 71 THR N N 98 118.550 119.191 -0.641 1
1 752 . 18 1 1 A 72 72 ILE H H 99 8.520 8.690 -0.170 1
1 753 . 18 1 1 A 72 72 ILE HA H 99 5.080 5.059 0.021 1
1 763 . 18 1 1 A 72 72 ILE C C 99 170.930 172.955 -2.025 1
1 764 . 18 1 1 A 72 72 ILE CA C 99 59.370 59.335 0.035 1
1 765 . 18 1 1 A 72 72 ILE CB C 99 42.140 42.357 -0.217 1
1 769 . 18 1 1 A 72 72 ILE N N 99 125.230 122.868 2.362 1
1 770 . 18 1 1 A 73 73 GLU H H 100 8.860 8.577 0.283 1
1 771 . 18 1 1 A 73 73 GLU HA H 100 4.670 5.082 -0.412 1
1 776 . 18 1 1 A 73 73 GLU C C 100 172.200 174.872 -2.672 1
1 777 . 18 1 1 A 73 73 GLU CA C 100 55.840 55.041 0.799 1
1 778 . 18 1 1 A 73 73 GLU CB C 100 34.410 34.230 0.180 1
1 780 . 18 1 1 A 73 73 GLU N N 100 125.680 125.679 0.001 1
1 781 . 18 1 1 A 74 74 CYS H H 101 8.830 9.030 -0.200 1
1 782 . 18 1 1 A 74 74 CYS HA H 101 5.790 5.511 0.279 1
1 785 . 18 1 1 A 74 74 CYS C C 101 170.360 172.410 -2.050 1
1 786 . 18 1 1 A 74 74 CYS CA C 101 55.010 54.359 0.651 1
1 787 . 18 1 1 A 74 74 CYS CB C 101 45.320 46.004 -0.684 1
1 788 . 18 1 1 A 74 74 CYS N N 101 119.260 117.328 1.932 1
1 789 . 18 1 1 A 75 75 CYS H H 102 9.130 8.522 0.608 1
1 790 . 18 1 1 A 75 75 CYS HA H 102 5.000 5.232 -0.232 1
1 793 . 18 1 1 A 75 75 CYS C C 102 170.670 171.855 -1.185 1
1 794 . 18 1 1 A 75 75 CYS CA C 102 56.180 55.221 0.959 1
1 795 . 18 1 1 A 75 75 CYS CB C 102 46.090 46.321 -0.231 1
1 796 . 18 1 1 A 75 75 CYS N N 102 116.460 118.399 -1.939 1
1 797 . 18 1 1 A 76 76 ARG H H 103 9.240 9.113 0.127 1
1 798 . 18 1 1 A 76 76 ARG HA H 103 4.800 4.754 0.046 1
1 806 . 18 1 1 A 76 76 ARG C C 103 172.120 174.728 -2.608 1
1 807 . 18 1 1 A 76 76 ARG CA C 103 56.230 55.232 0.998 1
1 808 . 18 1 1 A 76 76 ARG CB C 103 32.610 29.908 2.702 1
1 811 . 18 1 1 A 76 76 ARG N N 103 122.520 125.060 -2.540 1
1 813 . 18 1 1 A 77 77 THR H H 104 7.440 7.773 -0.333 1
1 814 . 18 1 1 A 77 77 THR HA H 104 4.600 5.131 -0.531 1
1 819 . 18 1 1 A 77 77 THR C C 104 171.890 173.388 -1.498 1
1 820 . 18 1 1 A 77 77 THR CA C 104 61.270 59.543 1.727 1
1 821 . 18 1 1 A 77 77 THR CB C 104 72.490 72.145 0.345 1
1 823 . 18 1 1 A 77 77 THR N N 104 109.730 112.096 -2.366 1
1 824 . 18 1 1 A 78 78 ASN H H 105 8.590 8.659 -0.069 1
1 825 . 18 1 1 A 78 78 ASN HA H 105 4.790 4.656 0.134 1
1 830 . 18 1 1 A 78 78 ASN C C 105 174.150 175.286 -1.136 1
1 831 . 18 1 1 A 78 78 ASN CA C 105 55.870 54.068 1.802 1
1 832 . 18 1 1 A 78 78 ASN CB C 105 39.260 38.231 1.029 1
1 833 . 18 1 1 A 78 78 ASN N N 105 119.360 119.573 -0.213 1
1 835 . 18 1 1 A 79 79 LEU H H 106 9.980 8.778 1.202 1
1 836 . 18 1 1 A 79 79 LEU HA H 106 3.680 3.905 -0.225 1
1 846 . 18 1 1 A 79 79 LEU C C 106 175.050 177.523 -2.473 1
1 847 . 18 1 1 A 79 79 LEU CA C 106 56.790 56.080 0.710 1
1 848 . 18 1 1 A 79 79 LEU CB C 106 38.920 39.340 -0.420 1
1 852 . 18 1 1 A 79 79 LEU N N 106 118.230 117.727 0.503 1
1 853 . 18 1 1 A 80 80 CYS H H 107 8.250 8.023 0.227 1
1 854 . 18 1 1 A 80 80 CYS HA H 107 4.320 4.408 -0.088 1
1 857 . 18 1 1 A 80 80 CYS C C 107 172.470 175.072 -2.602 1
1 858 . 18 1 1 A 80 80 CYS CA C 107 58.370 58.750 -0.380 1
1 859 . 18 1 1 A 80 80 CYS CB C 107 46.090 42.192 3.898 1
1 860 . 18 1 1 A 80 80 CYS N N 107 115.460 116.203 -0.743 1
1 861 . 18 1 1 A 81 81 ASN H H 108 8.590 7.959 0.631 1
1 862 . 18 1 1 A 81 81 ASN HA H 108 4.430 4.632 -0.202 1
1 867 . 18 1 1 A 81 81 ASN C C 108 172.210 177.417 -5.207 1
1 868 . 18 1 1 A 81 81 ASN CA C 108 53.320 54.728 -1.408 1
1 869 . 18 1 1 A 81 81 ASN CB C 108 37.290 38.705 -1.415 1
1 870 . 18 1 1 A 81 81 ASN N N 108 118.040 119.423 -1.383 1
1 872 . 18 1 1 A 82 82 GLN H H 109 7.490 8.072 -0.582 1
1 873 . 18 1 1 A 82 82 GLN HA H 109 3.380 3.614 -0.234 1
1 880 . 18 1 1 A 82 82 GLN C C 109 172.300 176.826 -4.526 1
1 881 . 18 1 1 A 82 82 GLN CA C 109 58.940 58.254 0.686 1
1 882 . 18 1 1 A 82 82 GLN CB C 109 28.770 27.716 1.054 1
1 884 . 18 1 1 A 82 82 GLN N N 109 121.350 119.940 1.410 1
1 886 . 18 1 1 A 83 83 TYR H H 110 7.830 7.658 0.172 1
1 887 . 18 1 1 A 83 83 TYR HA H 110 4.590 4.649 -0.059 1
1 892 . 18 1 1 A 83 83 TYR CA C 110 56.490 57.464 -0.974 1
1 893 . 18 1 1 A 83 83 TYR CB C 110 38.400 38.043 0.357 1
1 894 . 18 1 1 A 83 83 TYR N N 110 114.600 116.549 -1.949 1
1 895 . 18 1 1 A 84 84 LEU H H 111 6.610 7.361 -0.751 1
1 896 . 18 1 1 A 84 84 LEU HA H 111 4.170 5.008 -0.838 1
1 905 . 18 1 1 A 84 84 LEU C C 111 172.880 174.736 -1.856 1
1 906 . 18 1 1 A 84 84 LEU CA C 111 55.250 53.493 1.757 1
1 907 . 18 1 1 A 84 84 LEU CB C 111 43.400 44.861 -1.461 1
1 911 . 18 1 1 A 84 84 LEU N N 111 120.140 122.008 -1.868 1
1 912 . 18 1 1 A 85 85 GLN H H 112 8.780 8.976 -0.196 1
1 913 . 18 1 1 A 85 85 GLN HA H 112 4.570 4.797 -0.227 1
1 920 . 18 1 1 A 85 85 GLN C C 112 169.480 174.440 -4.960 1
1 921 . 18 1 1 A 85 85 GLN CA C 112 53.110 52.758 0.352 1
1 922 . 18 1 1 A 85 85 GLN CB C 112 30.000 30.070 -0.070 1
1 924 . 18 1 1 A 85 85 GLN N N 112 122.790 127.737 -4.947 1
1 926 . 18 1 1 A 86 86 PRO HA H 113 4.400 5.034 -0.634 1
1 931 . 18 1 1 A 86 86 PRO CA C 113 63.040 62.578 0.462 1
1 932 . 18 1 1 A 86 86 PRO CB C 113 32.400 32.416 -0.016 1
1 935 . 18 1 1 A 87 87 THR H H 114 8.180 8.548 -0.368 1
1 936 . 18 1 1 A 87 87 THR HA H 114 4.400 5.009 -0.609 1
1 941 . 18 1 1 A 87 87 THR C C 114 172.180 173.430 -1.250 1
1 942 . 18 1 1 A 87 87 THR CA C 114 60.960 59.733 1.227 1
1 943 . 18 1 1 A 87 87 THR CB C 114 71.290 72.104 -0.814 1
1 945 . 18 1 1 A 87 87 THR N N 114 111.930 112.698 -0.768 1
1 946 . 18 1 1 A 88 88 LEU H H 115 8.580 8.613 -0.033 1
1 947 . 18 1 1 A 88 88 LEU HA H 115 4.300 4.873 -0.573 1
1 956 . 18 1 1 A 88 88 LEU C C 115 171.740 174.667 -2.927 1
1 957 . 18 1 1 A 88 88 LEU CA C 115 53.230 53.701 -0.471 1
1 958 . 18 1 1 A 88 88 LEU CB C 115 41.900 41.043 0.857 1
1 962 . 18 1 1 A 88 88 LEU N N 115 125.290 124.572 0.718 1
1 963 . 18 1 1 A 89 89 PRO HA H 116 4.630 4.637 -0.007 1
1 970 . 18 1 1 A 89 89 PRO CA C 116 61.580 61.675 -0.095 1
1 971 . 18 1 1 A 89 89 PRO CB C 116 30.980 31.605 -0.625 1
1 974 . 18 1 1 A 90 90 PRO HA H 117 4.350 4.694 -0.344 1
1 977 . 18 1 1 A 90 90 PRO CA C 117 63.010 62.687 0.323 1
1 978 . 18 1 1 A 90 90 PRO CB C 117 32.300 32.047 0.253 1
1 981 . 18 1 1 A 91 91 VAL H H 118 8.190 8.548 -0.358 1
1 982 . 18 1 1 A 91 91 VAL HA H 118 3.900 4.587 -0.687 1
1 990 . 18 1 1 A 91 91 VAL C C 118 173.270 174.303 -1.033 1
1 991 . 18 1 1 A 91 91 VAL CA C 118 62.890 60.133 2.757 1
1 992 . 18 1 1 A 91 91 VAL CB C 118 32.980 35.711 -2.731 1
1 994 . 18 1 1 A 91 91 VAL N N 118 120.460 122.580 -2.120 1
1 995 . 18 1 1 A 92 92 VAL H H 119 8.180 8.774 -0.594 1
1 996 . 18 1 1 A 92 92 VAL HA H 119 4.040 4.390 -0.350 1
1 1004 . 18 1 1 A 92 92 VAL C C 119 172.960 176.898 -3.938 1
1 1005 . 18 1 1 A 92 92 VAL CA C 119 62.250 62.332 -0.082 1
1 1006 . 18 1 1 A 92 92 VAL CB C 119 33.280 31.935 1.345 1
1 1008 . 18 1 1 A 92 92 VAL N N 119 125.030 124.441 0.589 1
1 1009 . 18 1 1 A 93 93 ILE H H 120 8.220 8.656 -0.436 1
1 1010 . 18 1 1 A 93 93 ILE HA H 120 4.110 4.268 -0.158 1
1 1015 . 18 1 1 A 93 93 ILE C C 120 173.440 175.156 -1.716 1
1 1016 . 18 1 1 A 93 93 ILE CA C 120 61.050 59.946 1.104 1
1 1017 . 18 1 1 A 93 93 ILE CB C 120 39.030 37.923 1.107 1
1 1021 . 18 1 1 A 93 93 ILE N N 120 125.690 119.790 5.900 1
1 1022 . 18 1 1 A 94 94 GLY H H 121 8.190 7.874 0.316 1
1 1023 . 18 1 1 A 94 94 GLY HA2 H 121 4.050 3.941 0.109 1
1 1024 . 18 1 1 A 94 94 GLY HA3 H 121 3.940 3.970 -0.030 1
1 1025 . 18 1 1 A 94 94 GLY C C 121 169.080 174.720 -5.640 1
1 1026 . 18 1 1 A 94 94 GLY CA C 121 44.850 46.137 -1.287 1
1 1027 . 18 1 1 A 94 94 GLY N N 121 113.150 110.398 2.752 1
1 1028 . 18 1 1 A 95 95 PRO HA H 122 4.270 4.505 -0.235 1
1 1032 . 18 1 1 A 95 95 PRO CA C 122 63.340 62.794 0.546 1
1 1033 . 18 1 1 A 95 95 PRO CB C 122 32.160 32.098 0.062 1
1 1036 . 18 1 1 A 96 96 PHE H H 123 8.140 8.599 -0.459 1
1 1037 . 18 1 1 A 96 96 PHE HA H 123 4.510 4.717 -0.207 1
1 1040 . 18 1 1 A 96 96 PHE C C 123 172.700 175.146 -2.446 1
1 1041 . 18 1 1 A 96 96 PHE CA C 123 58.040 57.633 0.407 1
1 1042 . 18 1 1 A 96 96 PHE CB C 123 39.710 40.255 -0.545 1
1 1043 . 18 1 1 A 96 96 PHE N N 123 119.410 123.126 -3.716 1
1 1044 . 18 1 1 A 97 97 PHE H H 124 8.000 8.445 -0.445 1
1 1045 . 18 1 1 A 97 97 PHE HA H 124 4.490 4.656 -0.166 1
1 1048 . 18 1 1 A 97 97 PHE C C 124 172.140 174.749 -2.609 1
1 1049 . 18 1 1 A 97 97 PHE CA C 124 58.000 58.877 -0.877 1
1 1050 . 18 1 1 A 97 97 PHE CB C 124 40.140 40.279 -0.139 1
1 1051 . 18 1 1 A 97 97 PHE N N 124 122.180 125.128 -2.948 1
1 1052 . 18 1 1 A 98 98 ASP H H 125 8.100 8.800 -0.700 1
1 1053 . 18 1 1 A 98 98 ASP HA H 125 4.400 5.047 -0.647 1
1 1056 . 18 1 1 A 98 98 ASP C C 125 173.870 175.928 -2.058 1
1 1057 . 18 1 1 A 98 98 ASP CA C 125 54.470 53.025 1.445 1
1 1058 . 18 1 1 A 98 98 ASP CB C 125 41.390 42.174 -0.784 1
1 1059 . 18 1 1 A 98 98 ASP N N 125 123.000 123.175 -0.175 1
1 1060 . 18 1 1 A 99 99 GLY H H 126 8.010 8.778 -0.768 1
1 1061 . 18 1 1 A 99 99 GLY HA3 H 126 3.860 4.065 -0.205 1
1 1062 . 18 1 1 A 99 99 GLY C C 126 171.640 173.707 -2.067 1
1 1063 . 18 1 1 A 99 99 GLY CA C 126 45.860 44.373 1.487 1
1 1064 . 18 1 1 A 99 99 GLY N N 126 109.280 115.701 -6.421 1
1 1065 . 18 1 1 A 100 100 SER H H 127 8.110 8.426 -0.316 1
1 1066 . 18 1 1 A 100 100 SER HA H 127 4.320 4.787 -0.467 1
1 1069 . 18 1 1 A 100 100 SER C C 127 171.520 173.568 -2.048 1
1 1070 . 18 1 1 A 100 100 SER CA C 127 59.190 58.815 0.375 1
1 1071 . 18 1 1 A 100 100 SER CB C 127 64.240 64.060 0.180 1
1 1072 . 18 1 1 A 100 100 SER N N 127 115.760 116.269 -0.509 1
1 1073 . 18 1 1 A 101 101 ILE H H 128 7.960 8.394 -0.434 1
1 1074 . 18 1 1 A 101 101 ILE HA H 128 4.110 4.534 -0.424 1
1 1084 . 18 1 1 A 101 101 ILE C C 128 172.590 175.472 -2.882 1
1 1085 . 18 1 1 A 101 101 ILE CA C 128 61.800 60.236 1.564 1
1 1086 . 18 1 1 A 101 101 ILE CB C 128 38.820 38.880 -0.060 1
1 1090 . 18 1 1 A 101 101 ILE N N 128 122.050 124.632 -2.582 1
1 1 . 19 1 1 A 2 2 PRO HA H 29 4.310 4.533 -0.223 1
1 8 . 19 1 1 A 2 2 PRO CA C 29 64.380 63.200 1.180 1
1 9 . 19 1 1 A 2 2 PRO CB C 29 32.300 31.624 0.676 1
1 12 . 19 1 1 A 3 3 GLU H H 30 9.010 8.792 0.218 1
1 13 . 19 1 1 A 3 3 GLU HA H 30 4.170 4.546 -0.376 1
1 18 . 19 1 1 A 3 3 GLU C C 30 173.730 176.458 -2.728 1
1 19 . 19 1 1 A 3 3 GLU CA C 30 57.560 56.016 1.544 1
1 20 . 19 1 1 A 3 3 GLU CB C 30 29.400 29.196 0.204 1
1 22 . 19 1 1 A 3 3 GLU N N 30 118.790 122.432 -3.642 1
1 23 . 19 1 1 A 4 4 ASP H H 31 7.940 7.933 0.007 1
1 24 . 19 1 1 A 4 4 ASP HA H 31 4.560 4.551 0.009 1
1 27 . 19 1 1 A 4 4 ASP C C 31 173.600 175.221 -1.621 1
1 28 . 19 1 1 A 4 4 ASP CA C 31 54.940 54.109 0.831 1
1 29 . 19 1 1 A 4 4 ASP CB C 31 41.650 39.787 1.863 1
1 30 . 19 1 1 A 4 4 ASP N N 31 119.920 119.537 0.383 1
1 31 . 19 1 1 A 5 5 THR H H 32 7.810 7.921 -0.111 1
1 32 . 19 1 1 A 5 5 THR HA H 32 4.160 5.078 -0.918 1
1 37 . 19 1 1 A 5 5 THR C C 32 171.630 173.656 -2.026 1
1 38 . 19 1 1 A 5 5 THR CA C 32 62.410 61.876 0.534 1
1 39 . 19 1 1 A 5 5 THR CB C 32 70.040 70.964 -0.924 1
1 41 . 19 1 1 A 5 5 THR N N 32 113.570 114.034 -0.464 1
1 42 . 19 1 1 A 6 6 LEU H H 33 8.100 8.900 -0.800 1
1 43 . 19 1 1 A 6 6 LEU HA H 33 4.490 4.943 -0.453 1
1 53 . 19 1 1 A 6 6 LEU C C 33 172.440 174.991 -2.551 1
1 54 . 19 1 1 A 6 6 LEU CA C 33 53.430 51.392 2.038 1
1 55 . 19 1 1 A 6 6 LEU CB C 33 41.900 45.594 -3.694 1
1 59 . 19 1 1 A 6 6 LEU N N 33 125.790 126.972 -1.182 1
1 60 . 19 1 1 A 7 7 PRO HA H 34 4.130 4.742 -0.612 1
1 67 . 19 1 1 A 7 7 PRO CA C 34 63.660 62.942 0.718 1
1 68 . 19 1 1 A 7 7 PRO CB C 34 31.970 32.579 -0.609 1
1 71 . 19 1 1 A 8 8 PHE H H 35 7.610 8.548 -0.938 1
1 72 . 19 1 1 A 8 8 PHE HA H 35 4.580 4.847 -0.267 1
1 77 . 19 1 1 A 8 8 PHE C C 35 171.110 174.650 -3.540 1
1 78 . 19 1 1 A 8 8 PHE CA C 35 57.690 56.078 1.612 1
1 79 . 19 1 1 A 8 8 PHE CB C 35 40.850 38.760 2.090 1
1 80 . 19 1 1 A 8 8 PHE N N 35 117.670 116.375 1.295 1
1 81 . 19 1 1 A 9 9 LEU H H 36 8.310 7.327 0.983 1
1 82 . 19 1 1 A 9 9 LEU HA H 36 4.420 4.675 -0.255 1
1 92 . 19 1 1 A 9 9 LEU C C 36 171.050 173.941 -2.891 1
1 93 . 19 1 1 A 9 9 LEU CA C 36 54.770 54.388 0.382 1
1 94 . 19 1 1 A 9 9 LEU CB C 36 44.230 44.964 -0.734 1
1 98 . 19 1 1 A 9 9 LEU N N 36 125.150 121.364 3.786 1
1 99 . 19 1 1 A 10 10 LYS H H 37 8.130 9.305 -1.175 1
1 100 . 19 1 1 A 10 10 LYS HA H 37 5.110 5.201 -0.091 1
1 109 . 19 1 1 A 10 10 LYS C C 37 172.470 175.090 -2.620 1
1 110 . 19 1 1 A 10 10 LYS CA C 37 54.730 54.978 -0.248 1
1 111 . 19 1 1 A 10 10 LYS CB C 37 35.010 33.975 1.035 1
1 115 . 19 1 1 A 10 10 LYS N N 37 123.550 128.013 -4.463 1
1 116 . 19 1 1 A 11 11 CYS H H 38 9.240 8.839 0.401 1
1 117 . 19 1 1 A 11 11 CYS HA H 38 4.890 5.457 -0.567 1
1 120 . 19 1 1 A 11 11 CYS C C 38 171.750 171.885 -0.135 1
1 121 . 19 1 1 A 11 11 CYS CA C 38 51.950 54.620 -2.670 1
1 122 . 19 1 1 A 11 11 CYS CB C 38 41.360 45.570 -4.210 1
1 123 . 19 1 1 A 11 11 CYS N N 38 121.580 123.643 -2.063 1
1 124 . 19 1 1 A 12 12 TYR H H 39 8.830 8.919 -0.089 1
1 125 . 19 1 1 A 12 12 TYR HA H 39 4.780 4.712 0.068 1
1 132 . 19 1 1 A 12 12 TYR C C 39 172.260 174.712 -2.452 1
1 133 . 19 1 1 A 12 12 TYR CA C 39 58.500 58.776 -0.276 1
1 134 . 19 1 1 A 12 12 TYR CB C 39 40.900 39.343 1.557 1
1 135 . 19 1 1 A 12 12 TYR N N 39 122.390 125.566 -3.176 1
1 136 . 19 1 1 A 13 13 CYS H H 40 7.690 7.959 -0.269 1
1 137 . 19 1 1 A 13 13 CYS HA H 40 4.420 5.765 -1.345 1
1 140 . 19 1 1 A 13 13 CYS CA C 40 53.850 54.073 -0.223 1
1 141 . 19 1 1 A 13 13 CYS CB C 40 48.920 45.183 3.737 1
1 142 . 19 1 1 A 14 14 SER H H 41 7.850 8.743 -0.893 1
1 143 . 19 1 1 A 14 14 SER HA H 41 4.160 4.961 -0.801 1
1 146 . 19 1 1 A 14 14 SER CA C 41 58.450 57.346 1.104 1
1 147 . 19 1 1 A 14 14 SER CB C 41 63.840 66.421 -2.581 1
1 148 . 19 1 1 A 14 14 SER N N 41 117.020 119.414 -2.394 1
1 149 . 19 1 1 A 16 16 HIS HA H 43 4.880 4.796 0.084 1
1 152 . 19 1 1 A 16 16 HIS CA C 43 54.770 54.313 0.457 1
1 153 . 19 1 1 A 16 16 HIS CB C 43 29.490 31.425 -1.935 1
1 154 . 19 1 1 A 17 17 CYS H H 44 8.560 8.419 0.141 1
1 155 . 19 1 1 A 18 18 PRO HA H 45 4.660 4.427 0.233 1
1 160 . 19 1 1 A 18 18 PRO CA C 45 62.500 62.676 -0.176 1
1 161 . 19 1 1 A 18 18 PRO CB C 45 33.140 32.738 0.402 1
1 164 . 19 1 1 A 19 19 ASP H H 46 8.800 8.594 0.206 1
1 165 . 19 1 1 A 19 19 ASP HA H 46 4.250 4.266 -0.016 1
1 168 . 19 1 1 A 19 19 ASP C C 46 173.430 176.492 -3.062 1
1 169 . 19 1 1 A 19 19 ASP CA C 46 57.190 56.897 0.293 1
1 170 . 19 1 1 A 19 19 ASP CB C 46 40.720 40.583 0.137 1
1 171 . 19 1 1 A 19 19 ASP N N 46 120.170 121.865 -1.695 1
1 172 . 19 1 1 A 20 20 ASP H H 47 8.050 8.232 -0.182 1
1 173 . 19 1 1 A 20 20 ASP HA H 47 4.510 4.626 -0.116 1
1 176 . 19 1 1 A 20 20 ASP C C 47 173.500 175.987 -2.487 1
1 177 . 19 1 1 A 20 20 ASP CA C 47 52.840 53.056 -0.216 1
1 178 . 19 1 1 A 20 20 ASP CB C 47 39.980 39.724 0.256 1
1 179 . 19 1 1 A 20 20 ASP N N 47 114.670 114.897 -0.227 1
1 180 . 19 1 1 A 21 21 ALA H H 48 7.350 7.259 0.091 1
1 181 . 19 1 1 A 21 21 ALA HA H 48 4.280 4.260 0.020 1
1 185 . 19 1 1 A 21 21 ALA C C 48 174.490 176.471 -1.981 1
1 186 . 19 1 1 A 21 21 ALA CA C 48 53.430 52.357 1.073 1
1 187 . 19 1 1 A 21 21 ALA CB C 48 20.870 20.014 0.856 1
1 188 . 19 1 1 A 21 21 ALA N N 48 122.660 122.431 0.229 1
1 189 . 19 1 1 A 22 22 ILE H H 49 7.960 8.125 -0.165 1
1 190 . 19 1 1 A 22 22 ILE HA H 49 4.240 4.572 -0.332 1
1 199 . 19 1 1 A 22 22 ILE C C 49 173.300 176.266 -2.966 1
1 200 . 19 1 1 A 22 22 ILE CA C 49 60.230 59.692 0.538 1
1 201 . 19 1 1 A 22 22 ILE CB C 49 40.280 40.195 0.085 1
1 205 . 19 1 1 A 22 22 ILE N N 49 119.550 119.772 -0.222 1
1 206 . 19 1 1 A 23 23 ASN H H 50 9.280 9.084 0.196 1
1 207 . 19 1 1 A 23 23 ASN HA H 50 4.290 4.429 -0.139 1
1 212 . 19 1 1 A 23 23 ASN CA C 50 54.660 53.853 0.807 1
1 213 . 19 1 1 A 23 23 ASN CB C 50 37.620 36.159 1.461 1
1 214 . 19 1 1 A 23 23 ASN N N 50 125.470 125.332 0.138 1
1 216 . 19 1 1 A 24 24 ASN H H 51 8.850 8.456 0.394 1
1 217 . 19 1 1 A 24 24 ASN HA H 51 4.070 4.045 0.025 1
1 222 . 19 1 1 A 24 24 ASN C C 51 170.660 173.633 -2.973 1
1 223 . 19 1 1 A 24 24 ASN CA C 51 56.080 54.364 1.716 1
1 224 . 19 1 1 A 24 24 ASN CB C 51 37.430 36.741 0.689 1
1 226 . 19 1 1 A 25 25 THR H H 52 7.190 7.433 -0.243 1
1 227 . 19 1 1 A 25 25 THR HA H 52 5.370 5.063 0.307 1
1 232 . 19 1 1 A 25 25 THR C C 52 169.910 172.514 -2.604 1
1 233 . 19 1 1 A 25 25 THR CA C 52 59.890 59.384 0.506 1
1 234 . 19 1 1 A 25 25 THR CB C 52 73.940 72.426 1.514 1
1 236 . 19 1 1 A 25 25 THR N N 52 105.820 106.065 -0.245 1
1 237 . 19 1 1 A 26 26 CYS H H 53 8.960 8.923 0.037 1
1 238 . 19 1 1 A 26 26 CYS HA H 53 5.000 5.459 -0.459 1
1 241 . 19 1 1 A 26 26 CYS C C 53 168.780 171.525 -2.745 1
1 242 . 19 1 1 A 26 26 CYS CA C 53 52.560 53.630 -1.070 1
1 243 . 19 1 1 A 26 26 CYS CB C 53 48.650 46.127 2.523 1
1 244 . 19 1 1 A 26 26 CYS N N 53 116.070 119.255 -3.185 1
1 245 . 19 1 1 A 27 27 ILE H H 54 8.530 8.537 -0.007 1
1 246 . 19 1 1 A 27 27 ILE HA H 54 5.210 4.945 0.265 1
1 256 . 19 1 1 A 27 27 ILE C C 54 173.400 174.654 -1.254 1
1 257 . 19 1 1 A 27 27 ILE CA C 54 59.200 60.077 -0.877 1
1 258 . 19 1 1 A 27 27 ILE CB C 54 40.220 39.957 0.263 1
1 262 . 19 1 1 A 27 27 ILE N N 54 120.170 121.253 -1.083 1
1 263 . 19 1 1 A 28 28 THR H H 55 9.200 8.807 0.393 1
1 264 . 19 1 1 A 28 28 THR HA H 55 4.800 5.227 -0.427 1
1 269 . 19 1 1 A 28 28 THR C C 55 168.370 172.626 -4.256 1
1 270 . 19 1 1 A 28 28 THR CA C 55 60.060 59.611 0.449 1
1 271 . 19 1 1 A 28 28 THR CB C 55 70.490 71.325 -0.835 1
1 273 . 19 1 1 A 28 28 THR N N 55 120.750 120.622 0.128 1
1 274 . 19 1 1 A 29 29 ASN H H 56 8.000 8.487 -0.487 1
1 275 . 19 1 1 A 29 29 ASN HA H 56 4.920 4.873 0.047 1
1 280 . 19 1 1 A 29 29 ASN C C 56 172.880 175.320 -2.440 1
1 281 . 19 1 1 A 29 29 ASN CA C 56 52.620 51.555 1.065 1
1 282 . 19 1 1 A 29 29 ASN CB C 56 38.920 38.131 0.789 1
1 283 . 19 1 1 A 29 29 ASN N N 56 120.880 123.469 -2.589 1
1 285 . 19 1 1 A 30 30 GLY H H 57 8.510 7.673 0.837 1
1 286 . 19 1 1 A 30 30 GLY HA2 H 57 4.140 3.914 0.226 1
1 287 . 19 1 1 A 30 30 GLY HA3 H 57 3.960 4.044 -0.084 1
1 288 . 19 1 1 A 30 30 GLY C C 57 169.020 172.866 -3.846 1
1 289 . 19 1 1 A 30 30 GLY CA C 57 45.800 45.216 0.584 1
1 290 . 19 1 1 A 30 30 GLY N N 57 111.380 109.742 1.638 1
1 291 . 19 1 1 A 31 31 HIS H H 58 8.560 7.688 0.872 1
1 292 . 19 1 1 A 31 31 HIS HA H 58 4.710 5.285 -0.575 1
1 295 . 19 1 1 A 31 31 HIS C C 58 171.200 173.896 -2.696 1
1 296 . 19 1 1 A 31 31 HIS CA C 58 56.140 54.679 1.461 1
1 297 . 19 1 1 A 31 31 HIS CB C 58 34.650 34.169 0.481 1
1 298 . 19 1 1 A 31 31 HIS N N 58 120.870 115.110 5.760 1
1 299 . 19 1 1 A 32 32 CYS H H 59 8.710 8.340 0.370 1
1 300 . 19 1 1 A 32 32 CYS HA H 59 5.700 5.250 0.450 1
1 303 . 19 1 1 A 32 32 CYS C C 59 173.470 173.421 0.049 1
1 304 . 19 1 1 A 32 32 CYS CA C 59 52.340 55.129 -2.789 1
1 305 . 19 1 1 A 32 32 CYS CB C 59 36.950 44.384 -7.434 1
1 306 . 19 1 1 A 32 32 CYS N N 59 117.290 119.660 -2.370 1
1 307 . 19 1 1 A 33 33 PHE H H 60 8.700 8.366 0.334 1
1 308 . 19 1 1 A 33 33 PHE HA H 60 6.110 5.772 0.338 1
1 316 . 19 1 1 A 33 33 PHE C C 60 172.200 172.821 -0.621 1
1 317 . 19 1 1 A 33 33 PHE CA C 60 56.630 55.453 1.177 1
1 318 . 19 1 1 A 33 33 PHE CB C 60 44.830 42.265 2.565 1
1 319 . 19 1 1 A 33 33 PHE N N 60 116.070 120.097 -4.027 1
1 320 . 19 1 1 A 34 34 ALA H H 61 9.200 8.514 0.686 1
1 321 . 19 1 1 A 34 34 ALA HA H 61 5.000 4.958 0.042 1
1 325 . 19 1 1 A 34 34 ALA C C 61 171.610 175.457 -3.847 1
1 326 . 19 1 1 A 34 34 ALA CA C 61 52.320 51.653 0.667 1
1 327 . 19 1 1 A 34 34 ALA CB C 61 23.950 22.771 1.179 1
1 328 . 19 1 1 A 34 34 ALA N N 61 125.170 120.792 4.378 1
1 329 . 19 1 1 A 35 35 ILE H H 62 9.470 8.902 0.568 1
1 330 . 19 1 1 A 35 35 ILE HA H 62 5.350 5.003 0.347 1
1 340 . 19 1 1 A 35 35 ILE C C 62 170.850 173.043 -2.193 1
1 341 . 19 1 1 A 35 35 ILE CA C 62 59.260 59.477 -0.217 1
1 342 . 19 1 1 A 35 35 ILE CB C 62 43.660 42.594 1.066 1
1 346 . 19 1 1 A 35 35 ILE N N 62 120.630 119.986 0.644 1
1 347 . 19 1 1 A 36 36 ILE H H 63 8.500 8.768 -0.268 1
1 348 . 19 1 1 A 36 36 ILE HA H 63 5.240 5.183 0.057 1
1 358 . 19 1 1 A 36 36 ILE C C 63 170.510 173.117 -2.607 1
1 359 . 19 1 1 A 36 36 ILE CA C 63 59.130 59.208 -0.078 1
1 360 . 19 1 1 A 36 36 ILE CB C 63 41.670 42.437 -0.767 1
1 364 . 19 1 1 A 36 36 ILE N N 63 125.830 126.123 -0.293 1
1 365 . 19 1 1 A 37 37 GLU H H 64 8.450 8.748 -0.298 1
1 366 . 19 1 1 A 37 37 GLU HA H 64 5.010 4.891 0.119 1
1 371 . 19 1 1 A 37 37 GLU C C 64 171.410 174.430 -3.020 1
1 372 . 19 1 1 A 37 37 GLU CA C 64 54.830 55.048 -0.218 1
1 373 . 19 1 1 A 37 37 GLU CB C 64 34.320 34.186 0.134 1
1 375 . 19 1 1 A 37 37 GLU N N 64 124.570 127.025 -2.455 1
1 376 . 19 1 1 A 38 38 GLU H H 65 8.300 8.500 -0.200 1
1 377 . 19 1 1 A 38 38 GLU HA H 65 5.040 4.981 0.059 1
1 382 . 19 1 1 A 38 38 GLU C C 65 172.920 175.927 -3.007 1
1 383 . 19 1 1 A 38 38 GLU CA C 65 54.760 55.105 -0.345 1
1 384 . 19 1 1 A 38 38 GLU CB C 65 33.470 31.655 1.815 1
1 386 . 19 1 1 A 38 38 GLU N N 65 123.960 123.877 0.083 1
1 387 . 19 1 1 A 39 39 ASP H H 66 8.470 8.305 0.165 1
1 388 . 19 1 1 A 39 39 ASP HA H 66 4.750 4.886 -0.136 1
1 391 . 19 1 1 A 39 39 ASP C C 66 174.940 177.736 -2.796 1
1 392 . 19 1 1 A 39 39 ASP CA C 66 52.890 52.539 0.351 1
1 393 . 19 1 1 A 39 39 ASP CB C 66 41.990 41.410 0.580 1
1 394 . 19 1 1 A 39 39 ASP N N 66 124.870 126.770 -1.900 1
1 395 . 19 1 1 A 40 40 ASP H H 67 8.380 8.902 -0.522 1
1 396 . 19 1 1 A 40 40 ASP HA H 67 4.310 4.461 -0.151 1
1 399 . 19 1 1 A 40 40 ASP C C 67 174.210 176.937 -2.727 1
1 400 . 19 1 1 A 40 40 ASP CA C 67 56.350 56.088 0.262 1
1 401 . 19 1 1 A 40 40 ASP CB C 67 40.510 39.996 0.514 1
1 402 . 19 1 1 A 40 40 ASP N N 67 116.220 118.541 -2.321 1
1 403 . 19 1 1 A 41 41 GLN H H 68 8.200 7.746 0.454 1
1 404 . 19 1 1 A 41 41 GLN HA H 68 4.380 4.367 0.013 1
1 411 . 19 1 1 A 41 41 GLN C C 68 173.740 176.411 -2.671 1
1 412 . 19 1 1 A 41 41 GLN CA C 68 55.590 55.612 -0.022 1
1 413 . 19 1 1 A 41 41 GLN CB C 68 29.780 29.460 0.320 1
1 415 . 19 1 1 A 41 41 GLN N N 68 117.190 117.486 -0.296 1
1 417 . 19 1 1 A 42 42 GLY H H 69 8.000 8.175 -0.175 1
1 418 . 19 1 1 A 42 42 GLY HA2 H 69 3.630 3.914 -0.284 1
1 419 . 19 1 1 A 42 42 GLY HA3 H 69 4.140 3.915 0.225 1
1 420 . 19 1 1 A 42 42 GLY C C 69 171.650 174.308 -2.658 1
1 421 . 19 1 1 A 42 42 GLY CA C 69 45.730 45.673 0.057 1
1 422 . 19 1 1 A 42 42 GLY N N 69 108.130 108.487 -0.357 1
1 423 . 19 1 1 A 43 43 GLU H H 70 8.410 8.275 0.135 1
1 424 . 19 1 1 A 43 43 GLU HA H 70 4.450 4.556 -0.106 1
1 429 . 19 1 1 A 43 43 GLU C C 70 173.970 176.404 -2.434 1
1 430 . 19 1 1 A 43 43 GLU CA C 70 56.020 55.565 0.455 1
1 431 . 19 1 1 A 43 43 GLU CB C 70 30.300 31.060 -0.760 1
1 433 . 19 1 1 A 43 43 GLU N N 70 122.300 119.823 2.477 1
1 434 . 19 1 1 A 44 44 THR H H 71 8.620 8.485 0.135 1
1 435 . 19 1 1 A 44 44 THR HA H 71 5.210 5.186 0.024 1
1 440 . 19 1 1 A 44 44 THR C C 71 172.160 174.060 -1.900 1
1 441 . 19 1 1 A 44 44 THR CA C 71 61.600 60.840 0.760 1
1 442 . 19 1 1 A 44 44 THR CB C 71 71.000 70.106 0.894 1
1 444 . 19 1 1 A 44 44 THR N N 71 117.330 114.785 2.545 1
1 445 . 19 1 1 A 45 45 THR H H 72 8.760 8.604 0.156 1
1 446 . 19 1 1 A 45 45 THR HA H 72 4.500 5.063 -0.563 1
1 451 . 19 1 1 A 45 45 THR C C 72 169.600 173.564 -3.964 1
1 452 . 19 1 1 A 45 45 THR CA C 72 61.270 60.575 0.695 1
1 453 . 19 1 1 A 45 45 THR CB C 72 72.320 70.021 2.299 1
1 455 . 19 1 1 A 45 45 THR N N 72 117.840 118.028 -0.188 1
1 456 . 19 1 1 A 46 46 LEU H H 73 8.400 9.173 -0.773 1
1 457 . 19 1 1 A 46 46 LEU HA H 73 5.250 5.106 0.144 1
1 464 . 19 1 1 A 46 46 LEU C C 73 173.150 175.534 -2.384 1
1 465 . 19 1 1 A 46 46 LEU CA C 73 54.300 53.759 0.541 1
1 466 . 19 1 1 A 46 46 LEU CB C 73 44.860 43.413 1.447 1
1 470 . 19 1 1 A 46 46 LEU N N 73 126.020 127.664 -1.644 1
1 471 . 19 1 1 A 47 47 ALA HA H 74 4.760 5.445 -0.685 1
1 475 . 19 1 1 A 47 47 ALA C C 74 172.740 175.422 -2.682 1
1 476 . 19 1 1 A 47 47 ALA CA C 74 51.440 50.943 0.497 1
1 477 . 19 1 1 A 47 47 ALA CB C 74 23.350 23.577 -0.227 1
1 478 . 19 1 1 A 48 48 SER H H 75 8.700 8.266 0.434 1
1 479 . 19 1 1 A 48 48 SER HA H 75 4.500 4.642 -0.142 1
1 482 . 19 1 1 A 48 48 SER C C 75 171.590 172.922 -1.332 1
1 483 . 19 1 1 A 48 48 SER CA C 75 57.740 56.401 1.339 1
1 484 . 19 1 1 A 48 48 SER CB C 75 65.700 66.026 -0.326 1
1 485 . 19 1 1 A 48 48 SER N N 75 111.400 113.951 -2.551 1
1 486 . 19 1 1 A 49 49 GLY H H 76 6.440 7.168 -0.728 1
1 487 . 19 1 1 A 49 49 GLY HA2 H 76 3.850 3.862 -0.012 1
1 488 . 19 1 1 A 49 49 GLY HA3 H 76 3.730 3.871 -0.141 1
1 489 . 19 1 1 A 49 49 GLY C C 76 167.890 171.301 -3.411 1
1 490 . 19 1 1 A 49 49 GLY CA C 76 47.420 45.876 1.544 1
1 491 . 19 1 1 A 49 49 GLY N N 76 105.480 105.435 0.045 1
1 492 . 19 1 1 A 50 50 CYS H H 77 8.740 8.271 0.469 1
1 493 . 19 1 1 A 50 50 CYS HA H 77 4.950 5.340 -0.390 1
1 496 . 19 1 1 A 50 50 CYS C C 77 170.670 172.781 -2.111 1
1 497 . 19 1 1 A 50 50 CYS CA C 77 60.030 55.361 4.669 1
1 498 . 19 1 1 A 50 50 CYS CB C 77 46.100 43.413 2.687 1
1 499 . 19 1 1 A 50 50 CYS N N 77 118.960 119.985 -1.025 1
1 500 . 19 1 1 A 51 51 MET H H 78 9.240 9.162 0.078 1
1 501 . 19 1 1 A 51 51 MET HA H 78 4.760 5.005 -0.245 1
1 509 . 19 1 1 A 51 51 MET C C 78 171.990 175.998 -4.008 1
1 510 . 19 1 1 A 51 51 MET CA C 78 54.630 54.181 0.449 1
1 511 . 19 1 1 A 51 51 MET CB C 78 35.810 34.892 0.918 1
1 514 . 19 1 1 A 51 51 MET N N 78 122.340 125.955 -3.615 1
1 515 . 19 1 1 A 52 52 LYS H H 79 8.430 8.365 0.065 1
1 516 . 19 1 1 A 52 52 LYS HA H 79 4.160 4.260 -0.100 1
1 525 . 19 1 1 A 52 52 LYS C C 79 173.040 175.795 -2.755 1
1 526 . 19 1 1 A 52 52 LYS CA C 79 57.120 55.931 1.189 1
1 527 . 19 1 1 A 52 52 LYS CB C 79 33.720 32.548 1.172 1
1 531 . 19 1 1 A 52 52 LYS N N 79 125.030 123.881 1.149 1
1 532 . 19 1 1 A 53 53 TYR H H 80 8.400 8.642 -0.242 1
1 533 . 19 1 1 A 53 53 TYR HA H 80 4.200 4.675 -0.475 1
1 536 . 19 1 1 A 53 53 TYR C C 80 173.370 175.411 -2.041 1
1 537 . 19 1 1 A 53 53 TYR CA C 80 59.910 57.851 2.059 1
1 538 . 19 1 1 A 53 53 TYR CB C 80 39.000 39.037 -0.037 1
1 539 . 19 1 1 A 53 53 TYR N N 80 121.420 120.511 0.909 1
1 540 . 19 1 1 A 54 54 GLU H H 81 8.490 9.209 -0.719 1
1 541 . 19 1 1 A 54 54 GLU HA H 81 4.170 4.689 -0.519 1
1 545 . 19 1 1 A 54 54 GLU C C 81 173.240 176.670 -3.430 1
1 546 . 19 1 1 A 54 54 GLU CA C 81 56.440 56.786 -0.346 1
1 547 . 19 1 1 A 54 54 GLU CB C 81 30.860 32.219 -1.359 1
1 549 . 19 1 1 A 54 54 GLU N N 81 123.790 121.669 2.121 1
1 550 . 19 1 1 A 55 55 GLY H H 82 7.200 7.933 -0.733 1
1 551 . 19 1 1 A 55 55 GLY HA2 H 82 4.050 4.070 -0.020 1
1 552 . 19 1 1 A 55 55 GLY HA3 H 82 3.690 4.105 -0.415 1
1 553 . 19 1 1 A 55 55 GLY C C 82 171.520 174.759 -3.239 1
1 554 . 19 1 1 A 55 55 GLY CA C 82 45.680 45.515 0.165 1
1 555 . 19 1 1 A 55 55 GLY N N 82 108.400 107.358 1.042 1
1 556 . 19 1 1 A 56 56 SER H H 83 8.140 7.991 0.149 1
1 557 . 19 1 1 A 56 56 SER HA H 83 4.280 4.445 -0.165 1
1 560 . 19 1 1 A 56 56 SER C C 83 171.900 173.992 -2.092 1
1 561 . 19 1 1 A 56 56 SER CA C 83 59.270 58.480 0.790 1
1 562 . 19 1 1 A 56 56 SER CB C 83 63.960 63.066 0.894 1
1 563 . 19 1 1 A 56 56 SER N N 83 114.650 115.619 -0.969 1
1 564 . 19 1 1 A 57 57 ASP H H 84 8.340 8.865 -0.525 1
1 565 . 19 1 1 A 57 57 ASP HA H 84 4.430 4.883 -0.453 1
1 568 . 19 1 1 A 57 57 ASP C C 84 173.100 176.960 -3.860 1
1 569 . 19 1 1 A 57 57 ASP CA C 84 54.950 56.927 -1.977 1
1 570 . 19 1 1 A 57 57 ASP CB C 84 40.840 42.471 -1.631 1
1 571 . 19 1 1 A 57 57 ASP N N 84 121.230 126.231 -5.001 1
1 572 . 19 1 1 A 58 58 PHE H H 85 7.730 7.647 0.083 1
1 573 . 19 1 1 A 58 58 PHE HA H 85 4.260 4.637 -0.377 1
1 581 . 19 1 1 A 58 58 PHE C C 85 172.590 173.276 -0.686 1
1 582 . 19 1 1 A 58 58 PHE CA C 85 58.520 57.213 1.307 1
1 583 . 19 1 1 A 58 58 PHE CB C 85 39.840 39.371 0.469 1
1 584 . 19 1 1 A 58 58 PHE N N 85 118.920 118.071 0.849 1
1 585 . 19 1 1 A 59 59 GLN H H 86 7.790 7.585 0.205 1
1 586 . 19 1 1 A 59 59 GLN HA H 86 4.070 4.569 -0.499 1
1 593 . 19 1 1 A 59 59 GLN C C 86 172.550 174.513 -1.963 1
1 594 . 19 1 1 A 59 59 GLN CA C 86 56.000 54.737 1.263 1
1 595 . 19 1 1 A 59 59 GLN CB C 86 30.600 31.741 -1.141 1
1 597 . 19 1 1 A 59 59 GLN N N 86 120.280 120.920 -0.640 1
1 599 . 19 1 1 A 60 60 CYS H H 87 8.100 8.732 -0.632 1
1 600 . 19 1 1 A 60 60 CYS HA H 87 4.140 5.201 -1.061 1
1 603 . 19 1 1 A 60 60 CYS C C 87 170.910 173.333 -2.423 1
1 604 . 19 1 1 A 60 60 CYS CA C 87 56.810 54.609 2.201 1
1 605 . 19 1 1 A 60 60 CYS CB C 87 40.780 43.157 -2.377 1
1 606 . 19 1 1 A 60 60 CYS N N 87 118.790 123.184 -4.394 1
1 607 . 19 1 1 A 61 61 LYS H H 88 7.610 8.596 -0.986 1
1 608 . 19 1 1 A 61 61 LYS HA H 88 4.280 4.448 -0.168 1
1 617 . 19 1 1 A 61 61 LYS C C 88 172.330 175.411 -3.081 1
1 618 . 19 1 1 A 61 61 LYS CA C 88 56.210 55.881 0.329 1
1 619 . 19 1 1 A 61 61 LYS CB C 88 34.210 34.073 0.137 1
1 623 . 19 1 1 A 61 61 LYS N N 88 120.330 125.191 -4.861 1
1 624 . 19 1 1 A 62 62 ASP H H 89 8.180 8.726 -0.546 1
1 625 . 19 1 1 A 62 62 ASP HA H 89 4.500 5.174 -0.674 1
1 628 . 19 1 1 A 62 62 ASP C C 89 172.970 175.434 -2.464 1
1 629 . 19 1 1 A 62 62 ASP CA C 89 54.200 52.528 1.672 1
1 630 . 19 1 1 A 62 62 ASP CB C 89 42.090 43.986 -1.896 1
1 631 . 19 1 1 A 62 62 ASP N N 89 121.190 120.491 0.699 1
1 632 . 19 1 1 A 63 63 SER H H 90 8.190 8.653 -0.463 1
1 633 . 19 1 1 A 63 63 SER HA H 90 4.640 4.687 -0.047 1
1 636 . 19 1 1 A 63 63 SER C C 90 170.240 173.773 -3.533 1
1 637 . 19 1 1 A 63 63 SER CA C 90 56.600 57.656 -1.056 1
1 638 . 19 1 1 A 63 63 SER CB C 90 63.770 62.768 1.002 1
1 639 . 19 1 1 A 63 63 SER N N 90 116.710 118.851 -2.141 1
1 640 . 19 1 1 A 64 64 PRO HA H 91 4.350 4.647 -0.297 1
1 647 . 19 1 1 A 64 64 PRO CA C 91 63.800 62.472 1.328 1
1 648 . 19 1 1 A 64 64 PRO CB C 91 32.410 29.172 3.238 1
1 651 . 19 1 1 A 65 65 LYS H H 92 8.240 8.241 -0.001 1
1 652 . 19 1 1 A 65 65 LYS HA H 92 4.210 4.558 -0.348 1
1 661 . 19 1 1 A 65 65 LYS C C 92 173.330 174.186 -0.856 1
1 662 . 19 1 1 A 65 65 LYS CA C 92 56.410 55.628 0.782 1
1 663 . 19 1 1 A 65 65 LYS CB C 92 33.230 33.042 0.188 1
1 667 . 19 1 1 A 65 65 LYS N N 92 120.180 122.176 -1.996 1
1 668 . 19 1 1 A 66 66 ALA H H 93 8.040 7.658 0.382 1
1 669 . 19 1 1 A 66 66 ALA HA H 93 4.210 4.833 -0.623 1
1 673 . 19 1 1 A 66 66 ALA C C 93 174.580 175.256 -0.676 1
1 674 . 19 1 1 A 66 66 ALA CA C 93 53.020 51.388 1.632 1
1 675 . 19 1 1 A 66 66 ALA CB C 93 19.760 23.050 -3.290 1
1 676 . 19 1 1 A 66 66 ALA N N 93 124.050 122.944 1.106 1
1 677 . 19 1 1 A 67 67 GLN H H 94 8.320 8.906 -0.586 1
1 678 . 19 1 1 A 67 67 GLN HA H 94 4.190 4.814 -0.624 1
1 685 . 19 1 1 A 67 67 GLN C C 94 172.780 174.543 -1.763 1
1 686 . 19 1 1 A 67 67 GLN CA C 94 56.750 54.735 2.015 1
1 687 . 19 1 1 A 67 67 GLN CB C 94 29.100 30.021 -0.921 1
1 689 . 19 1 1 A 67 67 GLN N N 94 117.930 122.555 -4.625 1
1 691 . 19 1 1 A 68 68 LEU H H 95 7.730 8.371 -0.641 1
1 692 . 19 1 1 A 68 68 LEU HA H 95 4.360 4.962 -0.602 1
1 702 . 19 1 1 A 68 68 LEU C C 95 174.270 174.713 -0.443 1
1 703 . 19 1 1 A 68 68 LEU CA C 95 54.970 53.906 1.064 1
1 704 . 19 1 1 A 68 68 LEU CB C 95 43.120 45.891 -2.771 1
1 708 . 19 1 1 A 68 68 LEU N N 95 120.470 126.530 -6.060 1
1 709 . 19 1 1 A 69 69 ARG H H 96 8.600 8.397 0.203 1
1 710 . 19 1 1 A 69 69 ARG HA H 96 4.230 4.916 -0.686 1
1 718 . 19 1 1 A 69 69 ARG C C 96 171.700 175.586 -3.886 1
1 719 . 19 1 1 A 69 69 ARG CA C 96 56.570 55.601 0.969 1
1 720 . 19 1 1 A 69 69 ARG CB C 96 30.660 31.105 -0.445 1
1 723 . 19 1 1 A 69 69 ARG N N 96 121.670 124.182 -2.512 1
1 725 . 19 1 1 A 70 70 ARG H H 97 7.800 8.767 -0.967 1
1 726 . 19 1 1 A 70 70 ARG HA H 97 5.170 5.185 -0.015 1
1 734 . 19 1 1 A 70 70 ARG C C 97 172.120 173.353 -1.233 1
1 735 . 19 1 1 A 70 70 ARG CA C 97 55.260 54.759 0.501 1
1 736 . 19 1 1 A 70 70 ARG CB C 97 34.040 34.319 -0.279 1
1 739 . 19 1 1 A 70 70 ARG N N 97 120.130 121.571 -1.441 1
1 741 . 19 1 1 A 71 71 THR H H 98 8.610 8.306 0.304 1
1 742 . 19 1 1 A 71 71 THR HA H 98 4.600 5.201 -0.601 1
1 747 . 19 1 1 A 71 71 THR C C 98 169.250 173.166 -3.916 1
1 748 . 19 1 1 A 71 71 THR CA C 98 62.030 61.425 0.605 1
1 749 . 19 1 1 A 71 71 THR CB C 98 71.970 72.132 -0.162 1
1 751 . 19 1 1 A 71 71 THR N N 98 118.550 114.123 4.427 1
1 752 . 19 1 1 A 72 72 ILE H H 99 8.520 8.646 -0.126 1
1 753 . 19 1 1 A 72 72 ILE HA H 99 5.080 4.816 0.264 1
1 763 . 19 1 1 A 72 72 ILE C C 99 170.930 173.673 -2.743 1
1 764 . 19 1 1 A 72 72 ILE CA C 99 59.370 59.927 -0.557 1
1 765 . 19 1 1 A 72 72 ILE CB C 99 42.140 41.441 0.699 1
1 769 . 19 1 1 A 72 72 ILE N N 99 125.230 123.449 1.781 1
1 770 . 19 1 1 A 73 73 GLU H H 100 8.860 8.683 0.177 1
1 771 . 19 1 1 A 73 73 GLU HA H 100 4.670 4.973 -0.303 1
1 776 . 19 1 1 A 73 73 GLU C C 100 172.200 175.268 -3.068 1
1 777 . 19 1 1 A 73 73 GLU CA C 100 55.840 54.911 0.929 1
1 778 . 19 1 1 A 73 73 GLU CB C 100 34.410 31.869 2.541 1
1 780 . 19 1 1 A 73 73 GLU N N 100 125.680 127.349 -1.669 1
1 781 . 19 1 1 A 74 74 CYS H H 101 8.830 8.518 0.312 1
1 782 . 19 1 1 A 74 74 CYS HA H 101 5.790 5.559 0.231 1
1 785 . 19 1 1 A 74 74 CYS C C 101 170.360 171.922 -1.562 1
1 786 . 19 1 1 A 74 74 CYS CA C 101 55.010 54.657 0.353 1
1 787 . 19 1 1 A 74 74 CYS CB C 101 45.320 47.496 -2.176 1
1 788 . 19 1 1 A 74 74 CYS N N 101 119.260 118.220 1.040 1
1 789 . 19 1 1 A 75 75 CYS H H 102 9.130 8.501 0.629 1
1 790 . 19 1 1 A 75 75 CYS HA H 102 5.000 5.224 -0.224 1
1 793 . 19 1 1 A 75 75 CYS C C 102 170.670 172.091 -1.421 1
1 794 . 19 1 1 A 75 75 CYS CA C 102 56.180 54.538 1.642 1
1 795 . 19 1 1 A 75 75 CYS CB C 102 46.090 46.026 0.064 1
1 796 . 19 1 1 A 75 75 CYS N N 102 116.460 117.297 -0.837 1
1 797 . 19 1 1 A 76 76 ARG H H 103 9.240 8.977 0.263 1
1 798 . 19 1 1 A 76 76 ARG HA H 103 4.800 4.734 0.066 1
1 806 . 19 1 1 A 76 76 ARG C C 103 172.120 174.833 -2.713 1
1 807 . 19 1 1 A 76 76 ARG CA C 103 56.230 55.530 0.700 1
1 808 . 19 1 1 A 76 76 ARG CB C 103 32.610 29.707 2.903 1
1 811 . 19 1 1 A 76 76 ARG N N 103 122.520 124.338 -1.818 1
1 813 . 19 1 1 A 77 77 THR H H 104 7.440 7.815 -0.375 1
1 814 . 19 1 1 A 77 77 THR HA H 104 4.600 5.198 -0.598 1
1 819 . 19 1 1 A 77 77 THR C C 104 171.890 173.516 -1.626 1
1 820 . 19 1 1 A 77 77 THR CA C 104 61.270 60.127 1.143 1
1 821 . 19 1 1 A 77 77 THR CB C 104 72.490 71.990 0.500 1
1 823 . 19 1 1 A 77 77 THR N N 104 109.730 111.545 -1.815 1
1 824 . 19 1 1 A 78 78 ASN H H 105 8.590 8.915 -0.325 1
1 825 . 19 1 1 A 78 78 ASN HA H 105 4.790 4.685 0.105 1
1 830 . 19 1 1 A 78 78 ASN C C 105 174.150 175.216 -1.066 1
1 831 . 19 1 1 A 78 78 ASN CA C 105 55.870 53.712 2.158 1
1 832 . 19 1 1 A 78 78 ASN CB C 105 39.260 38.732 0.528 1
1 833 . 19 1 1 A 78 78 ASN N N 105 119.360 120.827 -1.467 1
1 835 . 19 1 1 A 79 79 LEU H H 106 9.980 8.775 1.205 1
1 836 . 19 1 1 A 79 79 LEU HA H 106 3.680 3.956 -0.276 1
1 846 . 19 1 1 A 79 79 LEU C C 106 175.050 177.548 -2.498 1
1 847 . 19 1 1 A 79 79 LEU CA C 106 56.790 56.095 0.695 1
1 848 . 19 1 1 A 79 79 LEU CB C 106 38.920 39.368 -0.448 1
1 852 . 19 1 1 A 79 79 LEU N N 106 118.230 117.563 0.667 1
1 853 . 19 1 1 A 80 80 CYS H H 107 8.250 7.732 0.518 1
1 854 . 19 1 1 A 80 80 CYS HA H 107 4.320 4.370 -0.050 1
1 857 . 19 1 1 A 80 80 CYS C C 107 172.470 175.664 -3.194 1
1 858 . 19 1 1 A 80 80 CYS CA C 107 58.370 59.224 -0.854 1
1 859 . 19 1 1 A 80 80 CYS CB C 107 46.090 42.285 3.805 1
1 860 . 19 1 1 A 80 80 CYS N N 107 115.460 116.651 -1.191 1
1 861 . 19 1 1 A 81 81 ASN H H 108 8.590 7.791 0.799 1
1 862 . 19 1 1 A 81 81 ASN HA H 108 4.430 4.621 -0.191 1
1 867 . 19 1 1 A 81 81 ASN C C 108 172.210 177.550 -5.340 1
1 868 . 19 1 1 A 81 81 ASN CA C 108 53.320 55.197 -1.877 1
1 869 . 19 1 1 A 81 81 ASN CB C 108 37.290 38.135 -0.845 1
1 870 . 19 1 1 A 81 81 ASN N N 108 118.040 119.709 -1.669 1
1 872 . 19 1 1 A 82 82 GLN H H 109 7.490 8.096 -0.606 1
1 873 . 19 1 1 A 82 82 GLN HA H 109 3.380 3.417 -0.037 1
1 880 . 19 1 1 A 82 82 GLN C C 109 172.300 176.803 -4.503 1
1 881 . 19 1 1 A 82 82 GLN CA C 109 58.940 58.123 0.817 1
1 882 . 19 1 1 A 82 82 GLN CB C 109 28.770 27.697 1.073 1
1 884 . 19 1 1 A 82 82 GLN N N 109 121.350 120.146 1.204 1
1 886 . 19 1 1 A 83 83 TYR H H 110 7.830 7.645 0.185 1
1 887 . 19 1 1 A 83 83 TYR HA H 110 4.590 4.650 -0.060 1
1 892 . 19 1 1 A 83 83 TYR CA C 110 56.490 57.328 -0.838 1
1 893 . 19 1 1 A 83 83 TYR CB C 110 38.400 38.070 0.330 1
1 894 . 19 1 1 A 83 83 TYR N N 110 114.600 116.406 -1.806 1
1 895 . 19 1 1 A 84 84 LEU H H 111 6.610 7.313 -0.703 1
1 896 . 19 1 1 A 84 84 LEU HA H 111 4.170 4.961 -0.791 1
1 905 . 19 1 1 A 84 84 LEU C C 111 172.880 174.858 -1.978 1
1 906 . 19 1 1 A 84 84 LEU CA C 111 55.250 53.667 1.583 1
1 907 . 19 1 1 A 84 84 LEU CB C 111 43.400 44.880 -1.480 1
1 911 . 19 1 1 A 84 84 LEU N N 111 120.140 122.006 -1.866 1
1 912 . 19 1 1 A 85 85 GLN H H 112 8.780 8.890 -0.110 1
1 913 . 19 1 1 A 85 85 GLN HA H 112 4.570 4.787 -0.217 1
1 920 . 19 1 1 A 85 85 GLN C C 112 169.480 174.480 -5.000 1
1 921 . 19 1 1 A 85 85 GLN CA C 112 53.110 52.772 0.338 1
1 922 . 19 1 1 A 85 85 GLN CB C 112 30.000 30.101 -0.101 1
1 924 . 19 1 1 A 85 85 GLN N N 112 122.790 127.732 -4.942 1
1 926 . 19 1 1 A 86 86 PRO HA H 113 4.400 4.856 -0.456 1
1 931 . 19 1 1 A 86 86 PRO CA C 113 63.040 62.520 0.520 1
1 932 . 19 1 1 A 86 86 PRO CB C 113 32.400 32.482 -0.082 1
1 935 . 19 1 1 A 87 87 THR H H 114 8.180 8.551 -0.371 1
1 936 . 19 1 1 A 87 87 THR HA H 114 4.400 5.016 -0.616 1
1 941 . 19 1 1 A 87 87 THR C C 114 172.180 173.329 -1.149 1
1 942 . 19 1 1 A 87 87 THR CA C 114 60.960 59.741 1.219 1
1 943 . 19 1 1 A 87 87 THR CB C 114 71.290 72.115 -0.825 1
1 945 . 19 1 1 A 87 87 THR N N 114 111.930 112.713 -0.783 1
1 946 . 19 1 1 A 88 88 LEU H H 115 8.580 8.623 -0.043 1
1 947 . 19 1 1 A 88 88 LEU HA H 115 4.300 4.790 -0.490 1
1 956 . 19 1 1 A 88 88 LEU C C 115 171.740 174.722 -2.982 1
1 957 . 19 1 1 A 88 88 LEU CA C 115 53.230 53.749 -0.519 1
1 958 . 19 1 1 A 88 88 LEU CB C 115 41.900 41.075 0.825 1
1 962 . 19 1 1 A 88 88 LEU N N 115 125.290 124.526 0.764 1
1 963 . 19 1 1 A 89 89 PRO HA H 116 4.630 4.674 -0.044 1
1 970 . 19 1 1 A 89 89 PRO CA C 116 61.580 61.478 0.102 1
1 971 . 19 1 1 A 89 89 PRO CB C 116 30.980 31.616 -0.636 1
1 974 . 19 1 1 A 90 90 PRO HA H 117 4.350 4.505 -0.155 1
1 977 . 19 1 1 A 90 90 PRO CA C 117 63.010 62.664 0.346 1
1 978 . 19 1 1 A 90 90 PRO CB C 117 32.300 31.928 0.372 1
1 981 . 19 1 1 A 91 91 VAL H H 118 8.190 8.343 -0.153 1
1 982 . 19 1 1 A 91 91 VAL HA H 118 3.900 4.363 -0.463 1
1 990 . 19 1 1 A 91 91 VAL C C 118 173.270 175.772 -2.502 1
1 991 . 19 1 1 A 91 91 VAL CA C 118 62.890 62.608 0.282 1
1 992 . 19 1 1 A 91 91 VAL CB C 118 32.980 32.106 0.874 1
1 994 . 19 1 1 A 91 91 VAL N N 118 120.460 122.165 -1.705 1
1 995 . 19 1 1 A 92 92 VAL H H 119 8.180 8.472 -0.292 1
1 996 . 19 1 1 A 92 92 VAL HA H 119 4.040 4.599 -0.559 1
1 1004 . 19 1 1 A 92 92 VAL C C 119 172.960 175.022 -2.062 1
1 1005 . 19 1 1 A 92 92 VAL CA C 119 62.250 61.615 0.635 1
1 1006 . 19 1 1 A 92 92 VAL CB C 119 33.280 33.098 0.182 1
1 1008 . 19 1 1 A 92 92 VAL N N 119 125.030 124.080 0.950 1
1 1009 . 19 1 1 A 93 93 ILE H H 120 8.220 8.591 -0.371 1
1 1010 . 19 1 1 A 93 93 ILE HA H 120 4.110 4.627 -0.517 1
1 1015 . 19 1 1 A 93 93 ILE C C 120 173.440 174.009 -0.569 1
1 1016 . 19 1 1 A 93 93 ILE CA C 120 61.050 59.728 1.322 1
1 1017 . 19 1 1 A 93 93 ILE CB C 120 39.030 42.220 -3.190 1
1 1021 . 19 1 1 A 93 93 ILE N N 120 125.690 126.985 -1.295 1
1 1022 . 19 1 1 A 94 94 GLY H H 121 8.190 9.162 -0.972 1
1 1023 . 19 1 1 A 94 94 GLY HA2 H 121 4.050 4.195 -0.145 1
1 1024 . 19 1 1 A 94 94 GLY HA3 H 121 3.940 4.403 -0.463 1
1 1025 . 19 1 1 A 94 94 GLY C C 121 169.080 173.174 -4.094 1
1 1026 . 19 1 1 A 94 94 GLY CA C 121 44.850 44.154 0.696 1
1 1027 . 19 1 1 A 94 94 GLY N N 121 113.150 116.455 -3.305 1
1 1028 . 19 1 1 A 95 95 PRO HA H 122 4.270 4.472 -0.202 1
1 1032 . 19 1 1 A 95 95 PRO CA C 122 63.340 62.789 0.551 1
1 1033 . 19 1 1 A 95 95 PRO CB C 122 32.160 31.187 0.973 1
1 1036 . 19 1 1 A 96 96 PHE H H 123 8.140 8.733 -0.593 1
1 1037 . 19 1 1 A 96 96 PHE HA H 123 4.510 5.050 -0.540 1
1 1040 . 19 1 1 A 96 96 PHE C C 123 172.700 174.627 -1.927 1
1 1041 . 19 1 1 A 96 96 PHE CA C 123 58.040 56.591 1.449 1
1 1042 . 19 1 1 A 96 96 PHE CB C 123 39.710 44.025 -4.315 1
1 1043 . 19 1 1 A 96 96 PHE N N 123 119.410 124.805 -5.395 1
1 1044 . 19 1 1 A 97 97 PHE H H 124 8.000 8.928 -0.928 1
1 1045 . 19 1 1 A 97 97 PHE HA H 124 4.490 5.045 -0.555 1
1 1048 . 19 1 1 A 97 97 PHE C C 124 172.140 174.984 -2.844 1
1 1049 . 19 1 1 A 97 97 PHE CA C 124 58.000 58.182 -0.182 1
1 1050 . 19 1 1 A 97 97 PHE CB C 124 40.140 42.143 -2.003 1
1 1051 . 19 1 1 A 97 97 PHE N N 124 122.180 122.751 -0.571 1
1 1052 . 19 1 1 A 98 98 ASP H H 125 8.100 8.714 -0.614 1
1 1053 . 19 1 1 A 98 98 ASP HA H 125 4.400 4.299 0.101 1
1 1056 . 19 1 1 A 98 98 ASP C C 125 173.870 176.270 -2.400 1
1 1057 . 19 1 1 A 98 98 ASP CA C 125 54.470 54.793 -0.323 1
1 1058 . 19 1 1 A 98 98 ASP CB C 125 41.390 41.624 -0.234 1
1 1059 . 19 1 1 A 98 98 ASP N N 125 123.000 126.479 -3.479 1
1 1060 . 19 1 1 A 99 99 GLY H H 126 8.010 7.169 0.841 1
1 1061 . 19 1 1 A 99 99 GLY HA3 H 126 3.860 3.945 -0.085 1
1 1062 . 19 1 1 A 99 99 GLY C C 126 171.640 174.629 -2.989 1
1 1063 . 19 1 1 A 99 99 GLY CA C 126 45.860 46.169 -0.309 1
1 1064 . 19 1 1 A 99 99 GLY N N 126 109.280 107.508 1.772 1
1 1065 . 19 1 1 A 100 100 SER H H 127 8.110 7.862 0.248 1
1 1066 . 19 1 1 A 100 100 SER HA H 127 4.320 4.506 -0.186 1
1 1069 . 19 1 1 A 100 100 SER C C 127 171.520 173.697 -2.177 1
1 1070 . 19 1 1 A 100 100 SER CA C 127 59.190 58.253 0.937 1
1 1071 . 19 1 1 A 100 100 SER CB C 127 64.240 64.750 -0.510 1
1 1072 . 19 1 1 A 100 100 SER N N 127 115.760 115.189 0.571 1
1 1073 . 19 1 1 A 101 101 ILE H H 128 7.960 8.322 -0.362 1
1 1074 . 19 1 1 A 101 101 ILE HA H 128 4.110 4.536 -0.426 1
1 1084 . 19 1 1 A 101 101 ILE C C 128 172.590 175.443 -2.853 1
1 1085 . 19 1 1 A 101 101 ILE CA C 128 61.800 60.225 1.575 1
1 1086 . 19 1 1 A 101 101 ILE CB C 128 38.820 38.956 -0.136 1
1 1090 . 19 1 1 A 101 101 ILE N N 128 122.050 122.937 -0.887 1
1 1 . 20 1 1 A 2 2 PRO HA H 29 4.310 4.591 -0.281 1
1 8 . 20 1 1 A 2 2 PRO CA C 29 64.380 63.251 1.129 1
1 9 . 20 1 1 A 2 2 PRO CB C 29 32.300 31.922 0.378 1
1 12 . 20 1 1 A 3 3 GLU H H 30 9.010 8.785 0.225 1
1 13 . 20 1 1 A 3 3 GLU HA H 30 4.170 4.801 -0.631 1
1 18 . 20 1 1 A 3 3 GLU C C 30 173.730 174.824 -1.094 1
1 19 . 20 1 1 A 3 3 GLU CA C 30 57.560 55.331 2.229 1
1 20 . 20 1 1 A 3 3 GLU CB C 30 29.400 30.461 -1.061 1
1 22 . 20 1 1 A 3 3 GLU N N 30 118.790 123.821 -5.031 1
1 23 . 20 1 1 A 4 4 ASP H H 31 7.940 8.893 -0.953 1
1 24 . 20 1 1 A 4 4 ASP HA H 31 4.560 4.698 -0.138 1
1 27 . 20 1 1 A 4 4 ASP C C 31 173.600 174.681 -1.081 1
1 28 . 20 1 1 A 4 4 ASP CA C 31 54.940 53.621 1.319 1
1 29 . 20 1 1 A 4 4 ASP CB C 31 41.650 40.019 1.631 1
1 30 . 20 1 1 A 4 4 ASP N N 31 119.920 125.389 -5.469 1
1 31 . 20 1 1 A 5 5 THR H H 32 7.810 8.177 -0.367 1
1 32 . 20 1 1 A 5 5 THR HA H 32 4.160 4.761 -0.601 1
1 37 . 20 1 1 A 5 5 THR C C 32 171.630 173.575 -1.945 1
1 38 . 20 1 1 A 5 5 THR CA C 32 62.410 61.492 0.918 1
1 39 . 20 1 1 A 5 5 THR CB C 32 70.040 71.730 -1.690 1
1 41 . 20 1 1 A 5 5 THR N N 32 113.570 120.411 -6.841 1
1 42 . 20 1 1 A 6 6 LEU H H 33 8.100 9.020 -0.920 1
1 43 . 20 1 1 A 6 6 LEU HA H 33 4.490 4.701 -0.211 1
1 53 . 20 1 1 A 6 6 LEU C C 33 172.440 174.934 -2.494 1
1 54 . 20 1 1 A 6 6 LEU CA C 33 53.430 53.355 0.075 1
1 55 . 20 1 1 A 6 6 LEU CB C 33 41.900 41.400 0.500 1
1 59 . 20 1 1 A 6 6 LEU N N 33 125.790 128.626 -2.836 1
1 60 . 20 1 1 A 7 7 PRO HA H 34 4.130 4.512 -0.382 1
1 67 . 20 1 1 A 7 7 PRO CA C 34 63.660 62.909 0.751 1
1 68 . 20 1 1 A 7 7 PRO CB C 34 31.970 32.069 -0.099 1
1 71 . 20 1 1 A 8 8 PHE H H 35 7.610 8.395 -0.785 1
1 72 . 20 1 1 A 8 8 PHE HA H 35 4.580 4.810 -0.230 1
1 77 . 20 1 1 A 8 8 PHE C C 35 171.110 174.553 -3.443 1
1 78 . 20 1 1 A 8 8 PHE CA C 35 57.690 56.016 1.674 1
1 79 . 20 1 1 A 8 8 PHE CB C 35 40.850 38.607 2.243 1
1 80 . 20 1 1 A 8 8 PHE N N 35 117.670 117.230 0.440 1
1 81 . 20 1 1 A 9 9 LEU H H 36 8.310 7.758 0.552 1
1 82 . 20 1 1 A 9 9 LEU HA H 36 4.420 4.824 -0.404 1
1 92 . 20 1 1 A 9 9 LEU C C 36 171.050 174.006 -2.956 1
1 93 . 20 1 1 A 9 9 LEU CA C 36 54.770 54.466 0.304 1
1 94 . 20 1 1 A 9 9 LEU CB C 36 44.230 45.317 -1.087 1
1 98 . 20 1 1 A 9 9 LEU N N 36 125.150 121.969 3.181 1
1 99 . 20 1 1 A 10 10 LYS H H 37 8.130 9.332 -1.202 1
1 100 . 20 1 1 A 10 10 LYS HA H 37 5.110 5.171 -0.061 1
1 109 . 20 1 1 A 10 10 LYS C C 37 172.470 175.104 -2.634 1
1 110 . 20 1 1 A 10 10 LYS CA C 37 54.730 54.998 -0.268 1
1 111 . 20 1 1 A 10 10 LYS CB C 37 35.010 34.183 0.827 1
1 115 . 20 1 1 A 10 10 LYS N N 37 123.550 128.063 -4.513 1
1 116 . 20 1 1 A 11 11 CYS H H 38 9.240 8.810 0.430 1
1 117 . 20 1 1 A 11 11 CYS HA H 38 4.890 5.458 -0.568 1
1 120 . 20 1 1 A 11 11 CYS C C 38 171.750 171.892 -0.142 1
1 121 . 20 1 1 A 11 11 CYS CA C 38 51.950 54.626 -2.676 1
1 122 . 20 1 1 A 11 11 CYS CB C 38 41.360 45.578 -4.218 1
1 123 . 20 1 1 A 11 11 CYS N N 38 121.580 123.753 -2.173 1
1 124 . 20 1 1 A 12 12 TYR H H 39 8.830 8.919 -0.089 1
1 125 . 20 1 1 A 12 12 TYR HA H 39 4.780 4.681 0.099 1
1 132 . 20 1 1 A 12 12 TYR C C 39 172.260 174.758 -2.498 1
1 133 . 20 1 1 A 12 12 TYR CA C 39 58.500 58.816 -0.316 1
1 134 . 20 1 1 A 12 12 TYR CB C 39 40.900 39.346 1.554 1
1 135 . 20 1 1 A 12 12 TYR N N 39 122.390 125.563 -3.173 1
1 136 . 20 1 1 A 13 13 CYS H H 40 7.690 7.853 -0.163 1
1 137 . 20 1 1 A 13 13 CYS HA H 40 4.420 5.743 -1.323 1
1 140 . 20 1 1 A 13 13 CYS CA C 40 53.850 54.030 -0.180 1
1 141 . 20 1 1 A 13 13 CYS CB C 40 48.920 45.168 3.752 1
1 142 . 20 1 1 A 14 14 SER H H 41 7.850 8.696 -0.846 1
1 143 . 20 1 1 A 14 14 SER HA H 41 4.160 4.876 -0.716 1
1 146 . 20 1 1 A 14 14 SER CA C 41 58.450 56.354 2.096 1
1 147 . 20 1 1 A 14 14 SER CB C 41 63.840 66.085 -2.245 1
1 148 . 20 1 1 A 14 14 SER N N 41 117.020 118.455 -1.435 1
1 149 . 20 1 1 A 16 16 HIS HA H 43 4.880 4.787 0.093 1
1 152 . 20 1 1 A 16 16 HIS CA C 43 54.770 54.199 0.571 1
1 153 . 20 1 1 A 16 16 HIS CB C 43 29.490 31.372 -1.882 1
1 154 . 20 1 1 A 17 17 CYS H H 44 8.560 8.380 0.180 1
1 155 . 20 1 1 A 18 18 PRO HA H 45 4.660 4.429 0.231 1
1 160 . 20 1 1 A 18 18 PRO CA C 45 62.500 62.681 -0.181 1
1 161 . 20 1 1 A 18 18 PRO CB C 45 33.140 32.705 0.435 1
1 164 . 20 1 1 A 19 19 ASP H H 46 8.800 8.615 0.185 1
1 165 . 20 1 1 A 19 19 ASP HA H 46 4.250 4.269 -0.019 1
1 168 . 20 1 1 A 19 19 ASP C C 46 173.430 176.491 -3.061 1
1 169 . 20 1 1 A 19 19 ASP CA C 46 57.190 56.891 0.299 1
1 170 . 20 1 1 A 19 19 ASP CB C 46 40.720 40.580 0.140 1
1 171 . 20 1 1 A 19 19 ASP N N 46 120.170 121.718 -1.548 1
1 172 . 20 1 1 A 20 20 ASP H H 47 8.050 8.231 -0.181 1
1 173 . 20 1 1 A 20 20 ASP HA H 47 4.510 4.619 -0.109 1
1 176 . 20 1 1 A 20 20 ASP C C 47 173.500 175.993 -2.493 1
1 177 . 20 1 1 A 20 20 ASP CA C 47 52.840 53.049 -0.209 1
1 178 . 20 1 1 A 20 20 ASP CB C 47 39.980 39.724 0.256 1
1 179 . 20 1 1 A 20 20 ASP N N 47 114.670 114.907 -0.237 1
1 180 . 20 1 1 A 21 21 ALA H H 48 7.350 7.244 0.106 1
1 181 . 20 1 1 A 21 21 ALA HA H 48 4.280 4.252 0.028 1
1 185 . 20 1 1 A 21 21 ALA C C 48 174.490 176.721 -2.231 1
1 186 . 20 1 1 A 21 21 ALA CA C 48 53.430 52.205 1.225 1
1 187 . 20 1 1 A 21 21 ALA CB C 48 20.870 19.984 0.886 1
1 188 . 20 1 1 A 21 21 ALA N N 48 122.660 122.435 0.225 1
1 189 . 20 1 1 A 22 22 ILE H H 49 7.960 8.162 -0.202 1
1 190 . 20 1 1 A 22 22 ILE HA H 49 4.240 4.580 -0.340 1
1 199 . 20 1 1 A 22 22 ILE C C 49 173.300 176.278 -2.978 1
1 200 . 20 1 1 A 22 22 ILE CA C 49 60.230 59.730 0.500 1
1 201 . 20 1 1 A 22 22 ILE CB C 49 40.280 40.199 0.081 1
1 205 . 20 1 1 A 22 22 ILE N N 49 119.550 119.778 -0.228 1
1 206 . 20 1 1 A 23 23 ASN H H 50 9.280 9.090 0.190 1
1 207 . 20 1 1 A 23 23 ASN HA H 50 4.290 4.444 -0.154 1
1 212 . 20 1 1 A 23 23 ASN CA C 50 54.660 53.864 0.796 1
1 213 . 20 1 1 A 23 23 ASN CB C 50 37.620 36.168 1.452 1
1 214 . 20 1 1 A 23 23 ASN N N 50 125.470 125.343 0.127 1
1 216 . 20 1 1 A 24 24 ASN H H 51 8.850 8.509 0.341 1
1 217 . 20 1 1 A 24 24 ASN HA H 51 4.070 4.217 -0.147 1
1 222 . 20 1 1 A 24 24 ASN C C 51 170.660 173.687 -3.027 1
1 223 . 20 1 1 A 24 24 ASN CA C 51 56.080 54.007 2.073 1
1 224 . 20 1 1 A 24 24 ASN CB C 51 37.430 37.213 0.217 1
1 226 . 20 1 1 A 25 25 THR H H 52 7.190 7.415 -0.225 1
1 227 . 20 1 1 A 25 25 THR HA H 52 5.370 5.017 0.353 1
1 232 . 20 1 1 A 25 25 THR C C 52 169.910 172.411 -2.501 1
1 233 . 20 1 1 A 25 25 THR CA C 52 59.890 59.441 0.449 1
1 234 . 20 1 1 A 25 25 THR CB C 52 73.940 72.522 1.418 1
1 236 . 20 1 1 A 25 25 THR N N 52 105.820 106.690 -0.870 1
1 237 . 20 1 1 A 26 26 CYS H H 53 8.960 8.943 0.017 1
1 238 . 20 1 1 A 26 26 CYS HA H 53 5.000 5.408 -0.408 1
1 241 . 20 1 1 A 26 26 CYS C C 53 168.780 171.379 -2.599 1
1 242 . 20 1 1 A 26 26 CYS CA C 53 52.560 53.595 -1.035 1
1 243 . 20 1 1 A 26 26 CYS CB C 53 48.650 46.550 2.100 1
1 244 . 20 1 1 A 26 26 CYS N N 53 116.070 119.003 -2.933 1
1 245 . 20 1 1 A 27 27 ILE H H 54 8.530 8.457 0.073 1
1 246 . 20 1 1 A 27 27 ILE HA H 54 5.210 4.947 0.263 1
1 256 . 20 1 1 A 27 27 ILE C C 54 173.400 174.647 -1.247 1
1 257 . 20 1 1 A 27 27 ILE CA C 54 59.200 60.145 -0.945 1
1 258 . 20 1 1 A 27 27 ILE CB C 54 40.220 40.184 0.036 1
1 262 . 20 1 1 A 27 27 ILE N N 54 120.170 120.878 -0.708 1
1 263 . 20 1 1 A 28 28 THR H H 55 9.200 8.754 0.446 1
1 264 . 20 1 1 A 28 28 THR HA H 55 4.800 5.186 -0.386 1
1 269 . 20 1 1 A 28 28 THR C C 55 168.370 172.560 -4.190 1
1 270 . 20 1 1 A 28 28 THR CA C 55 60.060 59.656 0.404 1
1 271 . 20 1 1 A 28 28 THR CB C 55 70.490 71.348 -0.858 1
1 273 . 20 1 1 A 28 28 THR N N 55 120.750 120.681 0.069 1
1 274 . 20 1 1 A 29 29 ASN H H 56 8.000 8.441 -0.441 1
1 275 . 20 1 1 A 29 29 ASN HA H 56 4.920 4.845 0.075 1
1 280 . 20 1 1 A 29 29 ASN C C 56 172.880 175.442 -2.562 1
1 281 . 20 1 1 A 29 29 ASN CA C 56 52.620 51.491 1.129 1
1 282 . 20 1 1 A 29 29 ASN CB C 56 38.920 38.090 0.830 1
1 283 . 20 1 1 A 29 29 ASN N N 56 120.880 123.515 -2.635 1
1 285 . 20 1 1 A 30 30 GLY H H 57 8.510 7.636 0.874 1
1 286 . 20 1 1 A 30 30 GLY HA2 H 57 4.140 4.123 0.017 1
1 287 . 20 1 1 A 30 30 GLY HA3 H 57 3.960 4.127 -0.167 1
1 288 . 20 1 1 A 30 30 GLY C C 57 169.020 172.974 -3.954 1
1 289 . 20 1 1 A 30 30 GLY CA C 57 45.800 45.445 0.355 1
1 290 . 20 1 1 A 30 30 GLY N N 57 111.380 109.375 2.005 1
1 291 . 20 1 1 A 31 31 HIS H H 58 8.560 7.891 0.669 1
1 292 . 20 1 1 A 31 31 HIS HA H 58 4.710 5.297 -0.587 1
1 295 . 20 1 1 A 31 31 HIS C C 58 171.200 173.884 -2.684 1
1 296 . 20 1 1 A 31 31 HIS CA C 58 56.140 54.668 1.472 1
1 297 . 20 1 1 A 31 31 HIS CB C 58 34.650 34.014 0.636 1
1 298 . 20 1 1 A 31 31 HIS N N 58 120.870 115.277 5.593 1
1 299 . 20 1 1 A 32 32 CYS H H 59 8.710 8.524 0.186 1
1 300 . 20 1 1 A 32 32 CYS HA H 59 5.700 5.247 0.453 1
1 303 . 20 1 1 A 32 32 CYS C C 59 173.470 173.486 -0.016 1
1 304 . 20 1 1 A 32 32 CYS CA C 59 52.340 55.144 -2.804 1
1 305 . 20 1 1 A 32 32 CYS CB C 59 36.950 44.177 -7.227 1
1 306 . 20 1 1 A 32 32 CYS N N 59 117.290 119.655 -2.365 1
1 307 . 20 1 1 A 33 33 PHE H H 60 8.700 8.447 0.253 1
1 308 . 20 1 1 A 33 33 PHE HA H 60 6.110 5.710 0.400 1
1 316 . 20 1 1 A 33 33 PHE C C 60 172.200 172.891 -0.691 1
1 317 . 20 1 1 A 33 33 PHE CA C 60 56.630 55.453 1.177 1
1 318 . 20 1 1 A 33 33 PHE CB C 60 44.830 42.338 2.492 1
1 319 . 20 1 1 A 33 33 PHE N N 60 116.070 120.118 -4.048 1
1 320 . 20 1 1 A 34 34 ALA H H 61 9.200 8.457 0.743 1
1 321 . 20 1 1 A 34 34 ALA HA H 61 5.000 4.996 0.004 1
1 325 . 20 1 1 A 34 34 ALA C C 61 171.610 175.729 -4.119 1
1 326 . 20 1 1 A 34 34 ALA CA C 61 52.320 51.460 0.860 1
1 327 . 20 1 1 A 34 34 ALA CB C 61 23.950 23.438 0.512 1
1 328 . 20 1 1 A 34 34 ALA N N 61 125.170 121.222 3.948 1
1 329 . 20 1 1 A 35 35 ILE H H 62 9.470 8.641 0.829 1
1 330 . 20 1 1 A 35 35 ILE HA H 62 5.350 4.909 0.441 1
1 340 . 20 1 1 A 35 35 ILE C C 62 170.850 173.215 -2.365 1
1 341 . 20 1 1 A 35 35 ILE CA C 62 59.260 59.433 -0.173 1
1 342 . 20 1 1 A 35 35 ILE CB C 62 43.660 42.343 1.317 1
1 346 . 20 1 1 A 35 35 ILE N N 62 120.630 119.149 1.481 1
1 347 . 20 1 1 A 36 36 ILE H H 63 8.500 8.822 -0.322 1
1 348 . 20 1 1 A 36 36 ILE HA H 63 5.240 5.185 0.055 1
1 358 . 20 1 1 A 36 36 ILE C C 63 170.510 173.048 -2.538 1
1 359 . 20 1 1 A 36 36 ILE CA C 63 59.130 59.217 -0.087 1
1 360 . 20 1 1 A 36 36 ILE CB C 63 41.670 42.466 -0.796 1
1 364 . 20 1 1 A 36 36 ILE N N 63 125.830 126.109 -0.279 1
1 365 . 20 1 1 A 37 37 GLU H H 64 8.450 8.754 -0.304 1
1 366 . 20 1 1 A 37 37 GLU HA H 64 5.010 4.983 0.027 1
1 371 . 20 1 1 A 37 37 GLU C C 64 171.410 174.447 -3.037 1
1 372 . 20 1 1 A 37 37 GLU CA C 64 54.830 55.167 -0.337 1
1 373 . 20 1 1 A 37 37 GLU CB C 64 34.320 33.925 0.395 1
1 375 . 20 1 1 A 37 37 GLU N N 64 124.570 127.030 -2.460 1
1 376 . 20 1 1 A 38 38 GLU H H 65 8.300 8.512 -0.212 1
1 377 . 20 1 1 A 38 38 GLU HA H 65 5.040 5.034 0.006 1
1 382 . 20 1 1 A 38 38 GLU C C 65 172.920 175.925 -3.005 1
1 383 . 20 1 1 A 38 38 GLU CA C 65 54.760 55.076 -0.316 1
1 384 . 20 1 1 A 38 38 GLU CB C 65 33.470 31.562 1.908 1
1 386 . 20 1 1 A 38 38 GLU N N 65 123.960 124.163 -0.203 1
1 387 . 20 1 1 A 39 39 ASP H H 66 8.470 8.267 0.203 1
1 388 . 20 1 1 A 39 39 ASP HA H 66 4.750 4.891 -0.141 1
1 391 . 20 1 1 A 39 39 ASP C C 66 174.940 177.137 -2.197 1
1 392 . 20 1 1 A 39 39 ASP CA C 66 52.890 52.539 0.351 1
1 393 . 20 1 1 A 39 39 ASP CB C 66 41.990 41.407 0.583 1
1 394 . 20 1 1 A 39 39 ASP N N 66 124.870 126.976 -2.106 1
1 395 . 20 1 1 A 40 40 ASP H H 67 8.380 8.748 -0.368 1
1 396 . 20 1 1 A 40 40 ASP HA H 67 4.310 4.262 0.048 1
1 399 . 20 1 1 A 40 40 ASP C C 67 174.210 177.397 -3.187 1
1 400 . 20 1 1 A 40 40 ASP CA C 67 56.350 56.648 -0.298 1
1 401 . 20 1 1 A 40 40 ASP CB C 67 40.510 40.437 0.073 1
1 402 . 20 1 1 A 40 40 ASP N N 67 116.220 118.594 -2.374 1
1 403 . 20 1 1 A 41 41 GLN H H 68 8.200 7.718 0.482 1
1 404 . 20 1 1 A 41 41 GLN HA H 68 4.380 4.368 0.012 1
1 411 . 20 1 1 A 41 41 GLN C C 68 173.740 176.415 -2.675 1
1 412 . 20 1 1 A 41 41 GLN CA C 68 55.590 55.617 -0.027 1
1 413 . 20 1 1 A 41 41 GLN CB C 68 29.780 29.414 0.366 1
1 415 . 20 1 1 A 41 41 GLN N N 68 117.190 116.647 0.543 1
1 417 . 20 1 1 A 42 42 GLY H H 69 8.000 8.204 -0.204 1
1 418 . 20 1 1 A 42 42 GLY HA2 H 69 3.630 3.914 -0.284 1
1 419 . 20 1 1 A 42 42 GLY HA3 H 69 4.140 3.915 0.225 1
1 420 . 20 1 1 A 42 42 GLY C C 69 171.650 174.308 -2.658 1
1 421 . 20 1 1 A 42 42 GLY CA C 69 45.730 45.694 0.036 1
1 422 . 20 1 1 A 42 42 GLY N N 69 108.130 108.503 -0.373 1
1 423 . 20 1 1 A 43 43 GLU H H 70 8.410 8.073 0.337 1
1 424 . 20 1 1 A 43 43 GLU HA H 70 4.450 4.559 -0.109 1
1 429 . 20 1 1 A 43 43 GLU C C 70 173.970 176.425 -2.455 1
1 430 . 20 1 1 A 43 43 GLU CA C 70 56.020 55.557 0.463 1
1 431 . 20 1 1 A 43 43 GLU CB C 70 30.300 31.059 -0.759 1
1 433 . 20 1 1 A 43 43 GLU N N 70 122.300 119.715 2.585 1
1 434 . 20 1 1 A 44 44 THR H H 71 8.620 8.485 0.135 1
1 435 . 20 1 1 A 44 44 THR HA H 71 5.210 5.181 0.029 1
1 440 . 20 1 1 A 44 44 THR C C 71 172.160 174.041 -1.881 1
1 441 . 20 1 1 A 44 44 THR CA C 71 61.600 60.843 0.757 1
1 442 . 20 1 1 A 44 44 THR CB C 71 71.000 70.114 0.886 1
1 444 . 20 1 1 A 44 44 THR N N 71 117.330 114.312 3.018 1
1 445 . 20 1 1 A 45 45 THR H H 72 8.760 8.692 0.068 1
1 446 . 20 1 1 A 45 45 THR HA H 72 4.500 5.065 -0.565 1
1 451 . 20 1 1 A 45 45 THR C C 72 169.600 173.688 -4.088 1
1 452 . 20 1 1 A 45 45 THR CA C 72 61.270 60.552 0.718 1
1 453 . 20 1 1 A 45 45 THR CB C 72 72.320 70.020 2.300 1
1 455 . 20 1 1 A 45 45 THR N N 72 117.840 117.648 0.192 1
1 456 . 20 1 1 A 46 46 LEU H H 73 8.400 9.199 -0.799 1
1 457 . 20 1 1 A 46 46 LEU HA H 73 5.250 5.064 0.186 1
1 464 . 20 1 1 A 46 46 LEU C C 73 173.150 175.605 -2.455 1
1 465 . 20 1 1 A 46 46 LEU CA C 73 54.300 53.873 0.427 1
1 466 . 20 1 1 A 46 46 LEU CB C 73 44.860 43.552 1.308 1
1 470 . 20 1 1 A 46 46 LEU N N 73 126.020 127.640 -1.620 1
1 471 . 20 1 1 A 47 47 ALA HA H 74 4.760 5.484 -0.724 1
1 475 . 20 1 1 A 47 47 ALA C C 74 172.740 175.468 -2.728 1
1 476 . 20 1 1 A 47 47 ALA CA C 74 51.440 50.819 0.621 1
1 477 . 20 1 1 A 47 47 ALA CB C 74 23.350 23.414 -0.064 1
1 478 . 20 1 1 A 48 48 SER H H 75 8.700 8.255 0.445 1
1 479 . 20 1 1 A 48 48 SER HA H 75 4.500 4.667 -0.167 1
1 482 . 20 1 1 A 48 48 SER C C 75 171.590 172.951 -1.361 1
1 483 . 20 1 1 A 48 48 SER CA C 75 57.740 56.408 1.332 1
1 484 . 20 1 1 A 48 48 SER CB C 75 65.700 65.948 -0.248 1
1 485 . 20 1 1 A 48 48 SER N N 75 111.400 114.237 -2.837 1
1 486 . 20 1 1 A 49 49 GLY H H 76 6.440 7.252 -0.812 1
1 487 . 20 1 1 A 49 49 GLY HA2 H 76 3.850 3.873 -0.023 1
1 488 . 20 1 1 A 49 49 GLY HA3 H 76 3.730 3.875 -0.145 1
1 489 . 20 1 1 A 49 49 GLY C C 76 167.890 171.284 -3.394 1
1 490 . 20 1 1 A 49 49 GLY CA C 76 47.420 45.892 1.528 1
1 491 . 20 1 1 A 49 49 GLY N N 76 105.480 105.555 -0.075 1
1 492 . 20 1 1 A 50 50 CYS H H 77 8.740 8.320 0.420 1
1 493 . 20 1 1 A 50 50 CYS HA H 77 4.950 5.353 -0.403 1
1 496 . 20 1 1 A 50 50 CYS C C 77 170.670 172.799 -2.129 1
1 497 . 20 1 1 A 50 50 CYS CA C 77 60.030 55.215 4.815 1
1 498 . 20 1 1 A 50 50 CYS CB C 77 46.100 43.472 2.628 1
1 499 . 20 1 1 A 50 50 CYS N N 77 118.960 119.798 -0.838 1
1 500 . 20 1 1 A 51 51 MET H H 78 9.240 8.992 0.248 1
1 501 . 20 1 1 A 51 51 MET HA H 78 4.760 5.114 -0.354 1
1 509 . 20 1 1 A 51 51 MET C C 78 171.990 175.667 -3.677 1
1 510 . 20 1 1 A 51 51 MET CA C 78 54.630 54.189 0.441 1
1 511 . 20 1 1 A 51 51 MET CB C 78 35.810 35.264 0.546 1
1 514 . 20 1 1 A 51 51 MET N N 78 122.340 125.858 -3.518 1
1 515 . 20 1 1 A 52 52 LYS H H 79 8.430 8.353 0.077 1
1 516 . 20 1 1 A 52 52 LYS HA H 79 4.160 4.266 -0.106 1
1 525 . 20 1 1 A 52 52 LYS C C 79 173.040 175.788 -2.748 1
1 526 . 20 1 1 A 52 52 LYS CA C 79 57.120 56.297 0.823 1
1 527 . 20 1 1 A 52 52 LYS CB C 79 33.720 32.764 0.956 1
1 531 . 20 1 1 A 52 52 LYS N N 79 125.030 124.240 0.790 1
1 532 . 20 1 1 A 53 53 TYR H H 80 8.400 8.821 -0.421 1
1 533 . 20 1 1 A 53 53 TYR HA H 80 4.200 4.644 -0.444 1
1 536 . 20 1 1 A 53 53 TYR C C 80 173.370 175.208 -1.838 1
1 537 . 20 1 1 A 53 53 TYR CA C 80 59.910 59.424 0.486 1
1 538 . 20 1 1 A 53 53 TYR CB C 80 39.000 39.192 -0.192 1
1 539 . 20 1 1 A 53 53 TYR N N 80 121.420 121.962 -0.542 1
1 540 . 20 1 1 A 54 54 GLU H H 81 8.490 8.669 -0.179 1
1 541 . 20 1 1 A 54 54 GLU HA H 81 4.170 4.557 -0.387 1
1 545 . 20 1 1 A 54 54 GLU C C 81 173.240 176.342 -3.102 1
1 546 . 20 1 1 A 54 54 GLU CA C 81 56.440 56.938 -0.498 1
1 547 . 20 1 1 A 54 54 GLU CB C 81 30.860 32.417 -1.557 1
1 549 . 20 1 1 A 54 54 GLU N N 81 123.790 124.772 -0.982 1
1 550 . 20 1 1 A 55 55 GLY H H 82 7.200 7.449 -0.249 1
1 551 . 20 1 1 A 55 55 GLY HA2 H 82 4.050 3.782 0.268 1
1 552 . 20 1 1 A 55 55 GLY HA3 H 82 3.690 3.941 -0.251 1
1 553 . 20 1 1 A 55 55 GLY C C 82 171.520 173.939 -2.419 1
1 554 . 20 1 1 A 55 55 GLY CA C 82 45.680 44.678 1.002 1
1 555 . 20 1 1 A 55 55 GLY N N 82 108.400 104.754 3.646 1
1 556 . 20 1 1 A 56 56 SER H H 83 8.140 8.982 -0.842 1
1 557 . 20 1 1 A 56 56 SER HA H 83 4.280 4.218 0.062 1
1 560 . 20 1 1 A 56 56 SER C C 83 171.900 174.833 -2.933 1
1 561 . 20 1 1 A 56 56 SER CA C 83 59.270 59.270 0.000 1
1 562 . 20 1 1 A 56 56 SER CB C 83 63.960 63.328 0.632 1
1 563 . 20 1 1 A 56 56 SER N N 83 114.650 120.843 -6.193 1
1 564 . 20 1 1 A 57 57 ASP H H 84 8.340 7.913 0.427 1
1 565 . 20 1 1 A 57 57 ASP HA H 84 4.430 4.668 -0.238 1
1 568 . 20 1 1 A 57 57 ASP C C 84 173.100 177.051 -3.951 1
1 569 . 20 1 1 A 57 57 ASP CA C 84 54.950 56.104 -1.154 1
1 570 . 20 1 1 A 57 57 ASP CB C 84 40.840 42.051 -1.211 1
1 571 . 20 1 1 A 57 57 ASP N N 84 121.230 119.434 1.796 1
1 572 . 20 1 1 A 58 58 PHE H H 85 7.730 7.555 0.175 1
1 573 . 20 1 1 A 58 58 PHE HA H 85 4.260 4.767 -0.507 1
1 581 . 20 1 1 A 58 58 PHE C C 85 172.590 174.208 -1.618 1
1 582 . 20 1 1 A 58 58 PHE CA C 85 58.520 55.346 3.174 1
1 583 . 20 1 1 A 58 58 PHE CB C 85 39.840 38.957 0.883 1
1 584 . 20 1 1 A 58 58 PHE N N 85 118.920 114.359 4.561 1
1 585 . 20 1 1 A 59 59 GLN H H 86 7.790 8.468 -0.678 1
1 586 . 20 1 1 A 59 59 GLN HA H 86 4.070 4.435 -0.365 1
1 593 . 20 1 1 A 59 59 GLN C C 86 172.550 174.648 -2.098 1
1 594 . 20 1 1 A 59 59 GLN CA C 86 56.000 54.727 1.273 1
1 595 . 20 1 1 A 59 59 GLN CB C 86 30.600 28.939 1.661 1
1 597 . 20 1 1 A 59 59 GLN N N 86 120.280 122.584 -2.304 1
1 599 . 20 1 1 A 60 60 CYS H H 87 8.100 7.843 0.257 1
1 600 . 20 1 1 A 60 60 CYS HA H 87 4.140 4.783 -0.643 1
1 603 . 20 1 1 A 60 60 CYS C C 87 170.910 172.044 -1.134 1
1 604 . 20 1 1 A 60 60 CYS CA C 87 56.810 55.451 1.359 1
1 605 . 20 1 1 A 60 60 CYS CB C 87 40.780 42.907 -2.127 1
1 606 . 20 1 1 A 60 60 CYS N N 87 118.790 119.963 -1.173 1
1 607 . 20 1 1 A 61 61 LYS H H 88 7.610 7.603 0.007 1
1 608 . 20 1 1 A 61 61 LYS HA H 88 4.280 4.888 -0.608 1
1 617 . 20 1 1 A 61 61 LYS C C 88 172.330 173.909 -1.579 1
1 618 . 20 1 1 A 61 61 LYS CA C 88 56.210 54.380 1.830 1
1 619 . 20 1 1 A 61 61 LYS CB C 88 34.210 36.617 -2.407 1
1 623 . 20 1 1 A 61 61 LYS N N 88 120.330 121.049 -0.719 1
1 624 . 20 1 1 A 62 62 ASP H H 89 8.180 8.679 -0.499 1
1 625 . 20 1 1 A 62 62 ASP HA H 89 4.500 5.369 -0.869 1
1 628 . 20 1 1 A 62 62 ASP C C 89 172.970 174.159 -1.189 1
1 629 . 20 1 1 A 62 62 ASP CA C 89 54.200 52.756 1.444 1
1 630 . 20 1 1 A 62 62 ASP CB C 89 42.090 44.438 -2.348 1
1 631 . 20 1 1 A 62 62 ASP N N 89 121.190 120.603 0.587 1
1 632 . 20 1 1 A 63 63 SER H H 90 8.190 8.798 -0.608 1
1 633 . 20 1 1 A 63 63 SER HA H 90 4.640 4.774 -0.134 1
1 636 . 20 1 1 A 63 63 SER C C 90 170.240 174.577 -4.337 1
1 637 . 20 1 1 A 63 63 SER CA C 90 56.600 55.474 1.126 1
1 638 . 20 1 1 A 63 63 SER CB C 90 63.770 63.207 0.563 1
1 639 . 20 1 1 A 63 63 SER N N 90 116.710 119.687 -2.977 1
1 640 . 20 1 1 A 64 64 PRO HA H 91 4.350 4.645 -0.295 1
1 647 . 20 1 1 A 64 64 PRO CA C 91 63.800 62.557 1.243 1
1 648 . 20 1 1 A 64 64 PRO CB C 91 32.410 29.267 3.143 1
1 651 . 20 1 1 A 65 65 LYS H H 92 8.240 7.989 0.251 1
1 652 . 20 1 1 A 65 65 LYS HA H 92 4.210 4.567 -0.357 1
1 661 . 20 1 1 A 65 65 LYS C C 92 173.330 174.391 -1.061 1
1 662 . 20 1 1 A 65 65 LYS CA C 92 56.410 55.479 0.931 1
1 663 . 20 1 1 A 65 65 LYS CB C 92 33.230 33.006 0.224 1
1 667 . 20 1 1 A 65 65 LYS N N 92 120.180 122.348 -2.168 1
1 668 . 20 1 1 A 66 66 ALA H H 93 8.040 7.545 0.495 1
1 669 . 20 1 1 A 66 66 ALA HA H 93 4.210 4.810 -0.600 1
1 673 . 20 1 1 A 66 66 ALA C C 93 174.580 176.312 -1.732 1
1 674 . 20 1 1 A 66 66 ALA CA C 93 53.020 51.465 1.555 1
1 675 . 20 1 1 A 66 66 ALA CB C 93 19.760 23.077 -3.317 1
1 676 . 20 1 1 A 66 66 ALA N N 93 124.050 122.989 1.061 1
1 677 . 20 1 1 A 67 67 GLN H H 94 8.320 8.485 -0.165 1
1 678 . 20 1 1 A 67 67 GLN HA H 94 4.190 4.514 -0.324 1
1 685 . 20 1 1 A 67 67 GLN C C 94 172.780 174.241 -1.461 1
1 686 . 20 1 1 A 67 67 GLN CA C 94 56.750 55.449 1.301 1
1 687 . 20 1 1 A 67 67 GLN CB C 94 29.100 27.153 1.947 1
1 689 . 20 1 1 A 67 67 GLN N N 94 117.930 121.100 -3.170 1
1 691 . 20 1 1 A 68 68 LEU H H 95 7.730 7.867 -0.137 1
1 692 . 20 1 1 A 68 68 LEU HA H 95 4.360 4.987 -0.627 1
1 702 . 20 1 1 A 68 68 LEU C C 95 174.270 174.212 0.058 1
1 703 . 20 1 1 A 68 68 LEU CA C 95 54.970 53.897 1.073 1
1 704 . 20 1 1 A 68 68 LEU CB C 95 43.120 46.474 -3.354 1
1 708 . 20 1 1 A 68 68 LEU N N 95 120.470 124.122 -3.652 1
1 709 . 20 1 1 A 69 69 ARG H H 96 8.600 8.364 0.236 1
1 710 . 20 1 1 A 69 69 ARG HA H 96 4.230 5.011 -0.781 1
1 718 . 20 1 1 A 69 69 ARG C C 96 171.700 175.553 -3.853 1
1 719 . 20 1 1 A 69 69 ARG CA C 96 56.570 54.817 1.753 1
1 720 . 20 1 1 A 69 69 ARG CB C 96 30.660 31.390 -0.730 1
1 723 . 20 1 1 A 69 69 ARG N N 96 121.670 125.165 -3.495 1
1 725 . 20 1 1 A 70 70 ARG H H 97 7.800 8.793 -0.993 1
1 726 . 20 1 1 A 70 70 ARG HA H 97 5.170 5.184 -0.014 1
1 734 . 20 1 1 A 70 70 ARG C C 97 172.120 173.372 -1.252 1
1 735 . 20 1 1 A 70 70 ARG CA C 97 55.260 54.697 0.563 1
1 736 . 20 1 1 A 70 70 ARG CB C 97 34.040 34.272 -0.232 1
1 739 . 20 1 1 A 70 70 ARG N N 97 120.130 121.695 -1.565 1
1 741 . 20 1 1 A 71 71 THR H H 98 8.610 8.215 0.395 1
1 742 . 20 1 1 A 71 71 THR HA H 98 4.600 5.283 -0.683 1
1 747 . 20 1 1 A 71 71 THR C C 98 169.250 173.557 -4.307 1
1 748 . 20 1 1 A 71 71 THR CA C 98 62.030 61.436 0.594 1
1 749 . 20 1 1 A 71 71 THR CB C 98 71.970 72.048 -0.078 1
1 751 . 20 1 1 A 71 71 THR N N 98 118.550 113.580 4.970 1
1 752 . 20 1 1 A 72 72 ILE H H 99 8.520 8.691 -0.171 1
1 753 . 20 1 1 A 72 72 ILE HA H 99 5.080 5.065 0.015 1
1 763 . 20 1 1 A 72 72 ILE C C 99 170.930 172.959 -2.029 1
1 764 . 20 1 1 A 72 72 ILE CA C 99 59.370 59.346 0.024 1
1 765 . 20 1 1 A 72 72 ILE CB C 99 42.140 42.426 -0.286 1
1 769 . 20 1 1 A 72 72 ILE N N 99 125.230 122.859 2.371 1
1 770 . 20 1 1 A 73 73 GLU H H 100 8.860 8.625 0.235 1
1 771 . 20 1 1 A 73 73 GLU HA H 100 4.670 5.116 -0.446 1
1 776 . 20 1 1 A 73 73 GLU C C 100 172.200 174.845 -2.645 1
1 777 . 20 1 1 A 73 73 GLU CA C 100 55.840 54.852 0.988 1
1 778 . 20 1 1 A 73 73 GLU CB C 100 34.410 34.163 0.247 1
1 780 . 20 1 1 A 73 73 GLU N N 100 125.680 125.669 0.011 1
1 781 . 20 1 1 A 74 74 CYS H H 101 8.830 9.120 -0.290 1
1 782 . 20 1 1 A 74 74 CYS HA H 101 5.790 5.562 0.228 1
1 785 . 20 1 1 A 74 74 CYS C C 101 170.360 172.408 -2.048 1
1 786 . 20 1 1 A 74 74 CYS CA C 101 55.010 54.406 0.604 1
1 787 . 20 1 1 A 74 74 CYS CB C 101 45.320 45.992 -0.672 1
1 788 . 20 1 1 A 74 74 CYS N N 101 119.260 117.015 2.245 1
1 789 . 20 1 1 A 75 75 CYS H H 102 9.130 8.612 0.518 1
1 790 . 20 1 1 A 75 75 CYS HA H 102 5.000 5.255 -0.255 1
1 793 . 20 1 1 A 75 75 CYS C C 102 170.670 171.817 -1.147 1
1 794 . 20 1 1 A 75 75 CYS CA C 102 56.180 55.407 0.773 1
1 795 . 20 1 1 A 75 75 CYS CB C 102 46.090 46.301 -0.211 1
1 796 . 20 1 1 A 75 75 CYS N N 102 116.460 118.496 -2.036 1
1 797 . 20 1 1 A 76 76 ARG H H 103 9.240 9.044 0.196 1
1 798 . 20 1 1 A 76 76 ARG HA H 103 4.800 4.636 0.164 1
1 806 . 20 1 1 A 76 76 ARG C C 103 172.120 174.688 -2.568 1
1 807 . 20 1 1 A 76 76 ARG CA C 103 56.230 55.005 1.225 1
1 808 . 20 1 1 A 76 76 ARG CB C 103 32.610 29.826 2.784 1
1 811 . 20 1 1 A 76 76 ARG N N 103 122.520 125.037 -2.517 1
1 813 . 20 1 1 A 77 77 THR H H 104 7.440 7.718 -0.278 1
1 814 . 20 1 1 A 77 77 THR HA H 104 4.600 5.153 -0.553 1
1 819 . 20 1 1 A 77 77 THR C C 104 171.890 173.574 -1.684 1
1 820 . 20 1 1 A 77 77 THR CA C 104 61.270 59.496 1.774 1
1 821 . 20 1 1 A 77 77 THR CB C 104 72.490 71.945 0.545 1
1 823 . 20 1 1 A 77 77 THR N N 104 109.730 112.236 -2.506 1
1 824 . 20 1 1 A 78 78 ASN H H 105 8.590 8.671 -0.081 1
1 825 . 20 1 1 A 78 78 ASN HA H 105 4.790 4.659 0.131 1
1 830 . 20 1 1 A 78 78 ASN C C 105 174.150 175.288 -1.138 1
1 831 . 20 1 1 A 78 78 ASN CA C 105 55.870 54.174 1.696 1
1 832 . 20 1 1 A 78 78 ASN CB C 105 39.260 38.232 1.028 1
1 833 . 20 1 1 A 78 78 ASN N N 105 119.360 119.565 -0.205 1
1 835 . 20 1 1 A 79 79 LEU H H 106 9.980 8.833 1.147 1
1 836 . 20 1 1 A 79 79 LEU HA H 106 3.680 3.912 -0.232 1
1 846 . 20 1 1 A 79 79 LEU C C 106 175.050 177.519 -2.469 1
1 847 . 20 1 1 A 79 79 LEU CA C 106 56.790 56.086 0.704 1
1 848 . 20 1 1 A 79 79 LEU CB C 106 38.920 39.344 -0.424 1
1 852 . 20 1 1 A 79 79 LEU N N 106 118.230 117.737 0.493 1
1 853 . 20 1 1 A 80 80 CYS H H 107 8.250 8.020 0.230 1
1 854 . 20 1 1 A 80 80 CYS HA H 107 4.320 4.420 -0.100 1
1 857 . 20 1 1 A 80 80 CYS C C 107 172.470 174.908 -2.438 1
1 858 . 20 1 1 A 80 80 CYS CA C 107 58.370 58.708 -0.338 1
1 859 . 20 1 1 A 80 80 CYS CB C 107 46.090 42.110 3.980 1
1 860 . 20 1 1 A 80 80 CYS N N 107 115.460 116.209 -0.749 1
1 861 . 20 1 1 A 81 81 ASN H H 108 8.590 7.971 0.619 1
1 862 . 20 1 1 A 81 81 ASN HA H 108 4.430 4.637 -0.207 1
1 867 . 20 1 1 A 81 81 ASN C C 108 172.210 177.491 -5.281 1
1 868 . 20 1 1 A 81 81 ASN CA C 108 53.320 54.810 -1.490 1
1 869 . 20 1 1 A 81 81 ASN CB C 108 37.290 38.660 -1.370 1
1 870 . 20 1 1 A 81 81 ASN N N 108 118.040 119.302 -1.262 1
1 872 . 20 1 1 A 82 82 GLN H H 109 7.490 8.082 -0.592 1
1 873 . 20 1 1 A 82 82 GLN HA H 109 3.380 3.578 -0.198 1
1 880 . 20 1 1 A 82 82 GLN C C 109 172.300 176.842 -4.542 1
1 881 . 20 1 1 A 82 82 GLN CA C 109 58.940 58.269 0.671 1
1 882 . 20 1 1 A 82 82 GLN CB C 109 28.770 27.677 1.093 1
1 884 . 20 1 1 A 82 82 GLN N N 109 121.350 119.933 1.417 1
1 886 . 20 1 1 A 83 83 TYR H H 110 7.830 7.668 0.162 1
1 887 . 20 1 1 A 83 83 TYR HA H 110 4.590 4.659 -0.069 1
1 892 . 20 1 1 A 83 83 TYR CA C 110 56.490 57.227 -0.737 1
1 893 . 20 1 1 A 83 83 TYR CB C 110 38.400 38.135 0.265 1
1 894 . 20 1 1 A 83 83 TYR N N 110 114.600 116.534 -1.934 1
1 895 . 20 1 1 A 84 84 LEU H H 111 6.610 7.405 -0.795 1
1 896 . 20 1 1 A 84 84 LEU HA H 111 4.170 4.958 -0.788 1
1 905 . 20 1 1 A 84 84 LEU C C 111 172.880 174.831 -1.951 1
1 906 . 20 1 1 A 84 84 LEU CA C 111 55.250 53.557 1.693 1
1 907 . 20 1 1 A 84 84 LEU CB C 111 43.400 44.849 -1.449 1
1 911 . 20 1 1 A 84 84 LEU N N 111 120.140 121.961 -1.821 1
1 912 . 20 1 1 A 85 85 GLN H H 112 8.780 8.935 -0.155 1
1 913 . 20 1 1 A 85 85 GLN HA H 112 4.570 4.873 -0.303 1
1 920 . 20 1 1 A 85 85 GLN C C 112 169.480 174.457 -4.977 1
1 921 . 20 1 1 A 85 85 GLN CA C 112 53.110 52.745 0.365 1
1 922 . 20 1 1 A 85 85 GLN CB C 112 30.000 30.377 -0.377 1
1 924 . 20 1 1 A 85 85 GLN N N 112 122.790 127.801 -5.011 1
1 926 . 20 1 1 A 86 86 PRO HA H 113 4.400 4.871 -0.471 1
1 931 . 20 1 1 A 86 86 PRO CA C 113 63.040 62.472 0.568 1
1 932 . 20 1 1 A 86 86 PRO CB C 113 32.400 32.644 -0.244 1
1 935 . 20 1 1 A 87 87 THR H H 114 8.180 8.561 -0.381 1
1 936 . 20 1 1 A 87 87 THR HA H 114 4.400 5.061 -0.661 1
1 941 . 20 1 1 A 87 87 THR C C 114 172.180 173.055 -0.875 1
1 942 . 20 1 1 A 87 87 THR CA C 114 60.960 59.749 1.211 1
1 943 . 20 1 1 A 87 87 THR CB C 114 71.290 71.836 -0.546 1
1 945 . 20 1 1 A 87 87 THR N N 114 111.930 112.490 -0.560 1
1 946 . 20 1 1 A 88 88 LEU H H 115 8.580 8.791 -0.211 1
1 947 . 20 1 1 A 88 88 LEU HA H 115 4.300 4.897 -0.597 1
1 956 . 20 1 1 A 88 88 LEU C C 115 171.740 174.643 -2.903 1
1 957 . 20 1 1 A 88 88 LEU CA C 115 53.230 53.701 -0.471 1
1 958 . 20 1 1 A 88 88 LEU CB C 115 41.900 41.226 0.674 1
1 962 . 20 1 1 A 88 88 LEU N N 115 125.290 125.523 -0.233 1
1 963 . 20 1 1 A 89 89 PRO HA H 116 4.630 4.692 -0.062 1
1 970 . 20 1 1 A 89 89 PRO CA C 116 61.580 61.335 0.245 1
1 971 . 20 1 1 A 89 89 PRO CB C 116 30.980 31.424 -0.444 1
1 974 . 20 1 1 A 90 90 PRO HA H 117 4.350 4.691 -0.341 1
1 977 . 20 1 1 A 90 90 PRO CA C 117 63.010 62.936 0.074 1
1 978 . 20 1 1 A 90 90 PRO CB C 117 32.300 32.983 -0.683 1
1 981 . 20 1 1 A 91 91 VAL H H 118 8.190 8.450 -0.260 1
1 982 . 20 1 1 A 91 91 VAL HA H 118 3.900 4.668 -0.768 1
1 990 . 20 1 1 A 91 91 VAL C C 118 173.270 174.833 -1.563 1
1 991 . 20 1 1 A 91 91 VAL CA C 118 62.890 60.235 2.655 1
1 992 . 20 1 1 A 91 91 VAL CB C 118 32.980 36.279 -3.299 1
1 994 . 20 1 1 A 91 91 VAL N N 118 120.460 119.962 0.498 1
1 995 . 20 1 1 A 92 92 VAL H H 119 8.180 8.554 -0.374 1
1 996 . 20 1 1 A 92 92 VAL HA H 119 4.040 4.844 -0.804 1
1 1004 . 20 1 1 A 92 92 VAL C C 119 172.960 173.531 -0.571 1
1 1005 . 20 1 1 A 92 92 VAL CA C 119 62.250 59.998 2.252 1
1 1006 . 20 1 1 A 92 92 VAL CB C 119 33.280 35.664 -2.384 1
1 1008 . 20 1 1 A 92 92 VAL N N 119 125.030 121.760 3.270 1
1 1009 . 20 1 1 A 93 93 ILE H H 120 8.220 8.549 -0.329 1
1 1010 . 20 1 1 A 93 93 ILE HA H 120 4.110 4.433 -0.323 1
1 1015 . 20 1 1 A 93 93 ILE C C 120 173.440 176.023 -2.583 1
1 1016 . 20 1 1 A 93 93 ILE CA C 120 61.050 59.928 1.122 1
1 1017 . 20 1 1 A 93 93 ILE CB C 120 39.030 38.520 0.510 1
1 1021 . 20 1 1 A 93 93 ILE N N 120 125.690 127.578 -1.888 1
1 1022 . 20 1 1 A 94 94 GLY H H 121 8.190 8.075 0.115 1
1 1023 . 20 1 1 A 94 94 GLY HA2 H 121 4.050 3.867 0.183 1
1 1024 . 20 1 1 A 94 94 GLY HA3 H 121 3.940 3.918 0.022 1
1 1025 . 20 1 1 A 94 94 GLY C C 121 169.080 174.366 -5.286 1
1 1026 . 20 1 1 A 94 94 GLY CA C 121 44.850 45.494 -0.644 1
1 1027 . 20 1 1 A 94 94 GLY N N 121 113.150 115.665 -2.515 1
1 1028 . 20 1 1 A 95 95 PRO HA H 122 4.270 4.455 -0.185 1
1 1032 . 20 1 1 A 95 95 PRO CA C 122 63.340 62.703 0.637 1
1 1033 . 20 1 1 A 95 95 PRO CB C 122 32.160 32.118 0.042 1
1 1036 . 20 1 1 A 96 96 PHE H H 123 8.140 8.519 -0.379 1
1 1037 . 20 1 1 A 96 96 PHE HA H 123 4.510 4.832 -0.322 1
1 1040 . 20 1 1 A 96 96 PHE C C 123 172.700 175.342 -2.642 1
1 1041 . 20 1 1 A 96 96 PHE CA C 123 58.040 57.698 0.342 1
1 1042 . 20 1 1 A 96 96 PHE CB C 123 39.710 39.976 -0.266 1
1 1043 . 20 1 1 A 96 96 PHE N N 123 119.410 121.380 -1.970 1
1 1044 . 20 1 1 A 97 97 PHE H H 124 8.000 8.995 -0.995 1
1 1045 . 20 1 1 A 97 97 PHE HA H 124 4.490 4.714 -0.224 1
1 1048 . 20 1 1 A 97 97 PHE C C 124 172.140 175.215 -3.075 1
1 1049 . 20 1 1 A 97 97 PHE CA C 124 58.000 56.293 1.707 1
1 1050 . 20 1 1 A 97 97 PHE CB C 124 40.140 37.299 2.841 1
1 1051 . 20 1 1 A 97 97 PHE N N 124 122.180 124.556 -2.376 1
1 1052 . 20 1 1 A 98 98 ASP H H 125 8.100 8.715 -0.615 1
1 1053 . 20 1 1 A 98 98 ASP HA H 125 4.400 4.572 -0.172 1
1 1056 . 20 1 1 A 98 98 ASP C C 125 173.870 177.084 -3.214 1
1 1057 . 20 1 1 A 98 98 ASP CA C 125 54.470 55.651 -1.181 1
1 1058 . 20 1 1 A 98 98 ASP CB C 125 41.390 41.117 0.273 1
1 1059 . 20 1 1 A 98 98 ASP N N 125 123.000 125.060 -2.060 1
1 1060 . 20 1 1 A 99 99 GLY H H 126 8.010 7.618 0.392 1
1 1061 . 20 1 1 A 99 99 GLY HA3 H 126 3.860 3.970 -0.110 1
1 1062 . 20 1 1 A 99 99 GLY C C 126 171.640 172.435 -0.795 1
1 1063 . 20 1 1 A 99 99 GLY CA C 126 45.860 45.951 -0.091 1
1 1064 . 20 1 1 A 99 99 GLY N N 126 109.280 106.246 3.034 1
1 1065 . 20 1 1 A 100 100 SER H H 127 8.110 7.575 0.535 1
1 1066 . 20 1 1 A 100 100 SER HA H 127 4.320 4.889 -0.569 1
1 1069 . 20 1 1 A 100 100 SER C C 127 171.520 172.636 -1.116 1
1 1070 . 20 1 1 A 100 100 SER CA C 127 59.190 57.063 2.127 1
1 1071 . 20 1 1 A 100 100 SER CB C 127 64.240 66.650 -2.410 1
1 1072 . 20 1 1 A 100 100 SER N N 127 115.760 115.045 0.715 1
1 1073 . 20 1 1 A 101 101 ILE H H 128 7.960 8.903 -0.943 1
1 1074 . 20 1 1 A 101 101 ILE HA H 128 4.110 4.477 -0.367 1
1 1084 . 20 1 1 A 101 101 ILE C C 128 172.590 175.423 -2.833 1
1 1085 . 20 1 1 A 101 101 ILE CA C 128 61.800 60.703 1.097 1
1 1086 . 20 1 1 A 101 101 ILE CB C 128 38.820 38.126 0.694 1
1 1090 . 20 1 1 A 101 101 ILE N N 128 122.050 124.064 -2.014 1
1 1 . 21 1 1 A 2 2 PRO HA H 29 4.310 4.588 -0.278 1
1 8 . 21 1 1 A 2 2 PRO CA C 29 64.380 63.227 1.153 1
1 9 . 21 1 1 A 2 2 PRO CB C 29 32.300 31.658 0.642 1
1 12 . 21 1 1 A 3 3 GLU H H 30 9.010 8.800 0.210 1
1 13 . 21 1 1 A 3 3 GLU HA H 30 4.170 4.509 -0.339 1
1 18 . 21 1 1 A 3 3 GLU C C 30 173.730 175.976 -2.246 1
1 19 . 21 1 1 A 3 3 GLU CA C 30 57.560 55.982 1.578 1
1 20 . 21 1 1 A 3 3 GLU CB C 30 29.400 29.171 0.229 1
1 22 . 21 1 1 A 3 3 GLU N N 30 118.790 122.329 -3.539 1
1 23 . 21 1 1 A 4 4 ASP H H 31 7.940 7.668 0.272 1
1 24 . 21 1 1 A 4 4 ASP HA H 31 4.560 4.634 -0.074 1
1 27 . 21 1 1 A 4 4 ASP C C 31 173.600 175.351 -1.751 1
1 28 . 21 1 1 A 4 4 ASP CA C 31 54.940 53.907 1.033 1
1 29 . 21 1 1 A 4 4 ASP CB C 31 41.650 39.703 1.947 1
1 30 . 21 1 1 A 4 4 ASP N N 31 119.920 120.106 -0.186 1
1 31 . 21 1 1 A 5 5 THR H H 32 7.810 7.901 -0.091 1
1 32 . 21 1 1 A 5 5 THR HA H 32 4.160 4.754 -0.594 1
1 37 . 21 1 1 A 5 5 THR C C 32 171.630 173.567 -1.937 1
1 38 . 21 1 1 A 5 5 THR CA C 32 62.410 61.395 1.015 1
1 39 . 21 1 1 A 5 5 THR CB C 32 70.040 71.711 -1.671 1
1 41 . 21 1 1 A 5 5 THR N N 32 113.570 116.292 -2.722 1
1 42 . 21 1 1 A 6 6 LEU H H 33 8.100 8.903 -0.803 1
1 43 . 21 1 1 A 6 6 LEU HA H 33 4.490 4.688 -0.198 1
1 53 . 21 1 1 A 6 6 LEU C C 33 172.440 174.983 -2.543 1
1 54 . 21 1 1 A 6 6 LEU CA C 33 53.430 53.414 0.016 1
1 55 . 21 1 1 A 6 6 LEU CB C 33 41.900 41.419 0.481 1
1 59 . 21 1 1 A 6 6 LEU N N 33 125.790 128.687 -2.897 1
1 60 . 21 1 1 A 7 7 PRO HA H 34 4.130 4.500 -0.370 1
1 67 . 21 1 1 A 7 7 PRO CA C 34 63.660 62.937 0.723 1
1 68 . 21 1 1 A 7 7 PRO CB C 34 31.970 31.913 0.057 1
1 71 . 21 1 1 A 8 8 PHE H H 35 7.610 8.365 -0.755 1
1 72 . 21 1 1 A 8 8 PHE HA H 35 4.580 4.812 -0.232 1
1 77 . 21 1 1 A 8 8 PHE C C 35 171.110 174.495 -3.385 1
1 78 . 21 1 1 A 8 8 PHE CA C 35 57.690 56.016 1.674 1
1 79 . 21 1 1 A 8 8 PHE CB C 35 40.850 38.608 2.242 1
1 80 . 21 1 1 A 8 8 PHE N N 35 117.670 117.227 0.443 1
1 81 . 21 1 1 A 9 9 LEU H H 36 8.310 7.768 0.542 1
1 82 . 21 1 1 A 9 9 LEU HA H 36 4.420 4.800 -0.380 1
1 92 . 21 1 1 A 9 9 LEU C C 36 171.050 174.014 -2.964 1
1 93 . 21 1 1 A 9 9 LEU CA C 36 54.770 54.437 0.333 1
1 94 . 21 1 1 A 9 9 LEU CB C 36 44.230 45.313 -1.083 1
1 98 . 21 1 1 A 9 9 LEU N N 36 125.150 121.989 3.161 1
1 99 . 21 1 1 A 10 10 LYS H H 37 8.130 9.338 -1.208 1
1 100 . 21 1 1 A 10 10 LYS HA H 37 5.110 5.188 -0.078 1
1 109 . 21 1 1 A 10 10 LYS C C 37 172.470 174.974 -2.504 1
1 110 . 21 1 1 A 10 10 LYS CA C 37 54.730 55.054 -0.324 1
1 111 . 21 1 1 A 10 10 LYS CB C 37 35.010 34.265 0.745 1
1 115 . 21 1 1 A 10 10 LYS N N 37 123.550 128.071 -4.521 1
1 116 . 21 1 1 A 11 11 CYS H H 38 9.240 8.837 0.403 1
1 117 . 21 1 1 A 11 11 CYS HA H 38 4.890 5.467 -0.577 1
1 120 . 21 1 1 A 11 11 CYS C C 38 171.750 171.969 -0.219 1
1 121 . 21 1 1 A 11 11 CYS CA C 38 51.950 54.795 -2.845 1
1 122 . 21 1 1 A 11 11 CYS CB C 38 41.360 45.262 -3.902 1
1 123 . 21 1 1 A 11 11 CYS N N 38 121.580 123.956 -2.376 1
1 124 . 21 1 1 A 12 12 TYR H H 39 8.830 8.945 -0.115 1
1 125 . 21 1 1 A 12 12 TYR HA H 39 4.780 4.683 0.097 1
1 132 . 21 1 1 A 12 12 TYR C C 39 172.260 174.804 -2.544 1
1 133 . 21 1 1 A 12 12 TYR CA C 39 58.500 58.983 -0.483 1
1 134 . 21 1 1 A 12 12 TYR CB C 39 40.900 39.359 1.541 1
1 135 . 21 1 1 A 12 12 TYR N N 39 122.390 125.565 -3.175 1
1 136 . 21 1 1 A 13 13 CYS H H 40 7.690 7.957 -0.267 1
1 137 . 21 1 1 A 13 13 CYS HA H 40 4.420 5.749 -1.329 1
1 140 . 21 1 1 A 13 13 CYS CA C 40 53.850 54.040 -0.190 1
1 141 . 21 1 1 A 13 13 CYS CB C 40 48.920 45.071 3.849 1
1 142 . 21 1 1 A 14 14 SER H H 41 7.850 8.560 -0.710 1
1 143 . 21 1 1 A 14 14 SER HA H 41 4.160 5.064 -0.904 1
1 146 . 21 1 1 A 14 14 SER CA C 41 58.450 55.899 2.551 1
1 147 . 21 1 1 A 14 14 SER CB C 41 63.840 66.074 -2.234 1
1 148 . 21 1 1 A 14 14 SER N N 41 117.020 115.466 1.554 1
1 149 . 21 1 1 A 16 16 HIS HA H 43 4.880 4.850 0.030 1
1 152 . 21 1 1 A 16 16 HIS CA C 43 54.770 55.005 -0.235 1
1 153 . 21 1 1 A 16 16 HIS CB C 43 29.490 31.781 -2.291 1
1 154 . 21 1 1 A 17 17 CYS H H 44 8.560 8.740 -0.180 1
1 155 . 21 1 1 A 18 18 PRO HA H 45 4.660 4.590 0.070 1
1 160 . 21 1 1 A 18 18 PRO CA C 45 62.500 62.834 -0.334 1
1 161 . 21 1 1 A 18 18 PRO CB C 45 33.140 32.739 0.401 1
1 164 . 21 1 1 A 19 19 ASP H H 46 8.800 8.663 0.137 1
1 165 . 21 1 1 A 19 19 ASP HA H 46 4.250 4.309 -0.059 1
1 168 . 21 1 1 A 19 19 ASP C C 46 173.430 176.530 -3.100 1
1 169 . 21 1 1 A 19 19 ASP CA C 46 57.190 56.957 0.233 1
1 170 . 21 1 1 A 19 19 ASP CB C 46 40.720 40.610 0.110 1
1 171 . 21 1 1 A 19 19 ASP N N 46 120.170 121.959 -1.789 1
1 172 . 21 1 1 A 20 20 ASP H H 47 8.050 8.261 -0.211 1
1 173 . 21 1 1 A 20 20 ASP HA H 47 4.510 4.643 -0.133 1
1 176 . 21 1 1 A 20 20 ASP C C 47 173.500 176.008 -2.508 1
1 177 . 21 1 1 A 20 20 ASP CA C 47 52.840 53.077 -0.237 1
1 178 . 21 1 1 A 20 20 ASP CB C 47 39.980 39.737 0.243 1
1 179 . 21 1 1 A 20 20 ASP N N 47 114.670 114.887 -0.217 1
1 180 . 21 1 1 A 21 21 ALA H H 48 7.350 7.299 0.051 1
1 181 . 21 1 1 A 21 21 ALA HA H 48 4.280 4.288 -0.008 1
1 185 . 21 1 1 A 21 21 ALA C C 48 174.490 176.468 -1.978 1
1 186 . 21 1 1 A 21 21 ALA CA C 48 53.430 52.224 1.206 1
1 187 . 21 1 1 A 21 21 ALA CB C 48 20.870 20.036 0.834 1
1 188 . 21 1 1 A 21 21 ALA N N 48 122.660 122.603 0.057 1
1 189 . 21 1 1 A 22 22 ILE H H 49 7.960 8.132 -0.172 1
1 190 . 21 1 1 A 22 22 ILE HA H 49 4.240 4.576 -0.336 1
1 199 . 21 1 1 A 22 22 ILE C C 49 173.300 176.249 -2.949 1
1 200 . 21 1 1 A 22 22 ILE CA C 49 60.230 59.432 0.798 1
1 201 . 21 1 1 A 22 22 ILE CB C 49 40.280 40.251 0.029 1
1 205 . 21 1 1 A 22 22 ILE N N 49 119.550 119.817 -0.267 1
1 206 . 21 1 1 A 23 23 ASN H H 50 9.280 9.097 0.183 1
1 207 . 21 1 1 A 23 23 ASN HA H 50 4.290 4.459 -0.169 1
1 212 . 21 1 1 A 23 23 ASN CA C 50 54.660 53.874 0.786 1
1 213 . 21 1 1 A 23 23 ASN CB C 50 37.620 36.169 1.451 1
1 214 . 21 1 1 A 23 23 ASN N N 50 125.470 125.088 0.382 1
1 216 . 21 1 1 A 24 24 ASN H H 51 8.850 8.479 0.371 1
1 217 . 21 1 1 A 24 24 ASN HA H 51 4.070 4.063 0.007 1
1 222 . 21 1 1 A 24 24 ASN C C 51 170.660 173.734 -3.074 1
1 223 . 21 1 1 A 24 24 ASN CA C 51 56.080 54.382 1.698 1
1 224 . 21 1 1 A 24 24 ASN CB C 51 37.430 36.801 0.629 1
1 226 . 21 1 1 A 25 25 THR H H 52 7.190 7.469 -0.279 1
1 227 . 21 1 1 A 25 25 THR HA H 52 5.370 5.091 0.279 1
1 232 . 21 1 1 A 25 25 THR C C 52 169.910 172.330 -2.420 1
1 233 . 21 1 1 A 25 25 THR CA C 52 59.890 59.488 0.402 1
1 234 . 21 1 1 A 25 25 THR CB C 52 73.940 72.463 1.477 1
1 236 . 21 1 1 A 25 25 THR N N 52 105.820 106.122 -0.302 1
1 237 . 21 1 1 A 26 26 CYS H H 53 8.960 8.989 -0.029 1
1 238 . 21 1 1 A 26 26 CYS HA H 53 5.000 5.409 -0.409 1
1 241 . 21 1 1 A 26 26 CYS C C 53 168.780 171.595 -2.815 1
1 242 . 21 1 1 A 26 26 CYS CA C 53 52.560 53.634 -1.074 1
1 243 . 21 1 1 A 26 26 CYS CB C 53 48.650 46.322 2.328 1
1 244 . 21 1 1 A 26 26 CYS N N 53 116.070 118.993 -2.923 1
1 245 . 21 1 1 A 27 27 ILE H H 54 8.530 8.542 -0.012 1
1 246 . 21 1 1 A 27 27 ILE HA H 54 5.210 4.949 0.261 1
1 256 . 21 1 1 A 27 27 ILE C C 54 173.400 174.718 -1.318 1
1 257 . 21 1 1 A 27 27 ILE CA C 54 59.200 60.324 -1.124 1
1 258 . 21 1 1 A 27 27 ILE CB C 54 40.220 39.831 0.389 1
1 262 . 21 1 1 A 27 27 ILE N N 54 120.170 121.031 -0.861 1
1 263 . 21 1 1 A 28 28 THR H H 55 9.200 8.807 0.393 1
1 264 . 21 1 1 A 28 28 THR HA H 55 4.800 5.175 -0.375 1
1 269 . 21 1 1 A 28 28 THR C C 55 168.370 172.616 -4.246 1
1 270 . 21 1 1 A 28 28 THR CA C 55 60.060 59.699 0.361 1
1 271 . 21 1 1 A 28 28 THR CB C 55 70.490 71.352 -0.862 1
1 273 . 21 1 1 A 28 28 THR N N 55 120.750 120.699 0.051 1
1 274 . 21 1 1 A 29 29 ASN H H 56 8.000 8.437 -0.437 1
1 275 . 21 1 1 A 29 29 ASN HA H 56 4.920 4.841 0.079 1
1 280 . 21 1 1 A 29 29 ASN C C 56 172.880 175.454 -2.574 1
1 281 . 21 1 1 A 29 29 ASN CA C 56 52.620 51.402 1.218 1
1 282 . 21 1 1 A 29 29 ASN CB C 56 38.920 38.054 0.866 1
1 283 . 21 1 1 A 29 29 ASN N N 56 120.880 123.506 -2.626 1
1 285 . 21 1 1 A 30 30 GLY H H 57 8.510 7.652 0.858 1
1 286 . 21 1 1 A 30 30 GLY HA2 H 57 4.140 4.110 0.030 1
1 287 . 21 1 1 A 30 30 GLY HA3 H 57 3.960 4.135 -0.175 1
1 288 . 21 1 1 A 30 30 GLY C C 57 169.020 172.947 -3.927 1
1 289 . 21 1 1 A 30 30 GLY CA C 57 45.800 45.463 0.337 1
1 290 . 21 1 1 A 30 30 GLY N N 57 111.380 109.373 2.007 1
1 291 . 21 1 1 A 31 31 HIS H H 58 8.560 7.674 0.886 1
1 292 . 21 1 1 A 31 31 HIS HA H 58 4.710 5.301 -0.591 1
1 295 . 21 1 1 A 31 31 HIS C C 58 171.200 173.882 -2.682 1
1 296 . 21 1 1 A 31 31 HIS CA C 58 56.140 54.667 1.473 1
1 297 . 21 1 1 A 31 31 HIS CB C 58 34.650 34.013 0.637 1
1 298 . 21 1 1 A 31 31 HIS N N 58 120.870 115.302 5.568 1
1 299 . 21 1 1 A 32 32 CYS H H 59 8.710 8.511 0.199 1
1 300 . 21 1 1 A 32 32 CYS HA H 59 5.700 5.251 0.449 1
1 303 . 21 1 1 A 32 32 CYS C C 59 173.470 173.545 -0.075 1
1 304 . 21 1 1 A 32 32 CYS CA C 59 52.340 55.135 -2.795 1
1 305 . 21 1 1 A 32 32 CYS CB C 59 36.950 44.178 -7.228 1
1 306 . 21 1 1 A 32 32 CYS N N 59 117.290 119.664 -2.374 1
1 307 . 21 1 1 A 33 33 PHE H H 60 8.700 8.441 0.259 1
1 308 . 21 1 1 A 33 33 PHE HA H 60 6.110 5.878 0.232 1
1 316 . 21 1 1 A 33 33 PHE C C 60 172.200 173.034 -0.834 1
1 317 . 21 1 1 A 33 33 PHE CA C 60 56.630 55.308 1.322 1
1 318 . 21 1 1 A 33 33 PHE CB C 60 44.830 42.712 2.118 1
1 319 . 21 1 1 A 33 33 PHE N N 60 116.070 120.058 -3.988 1
1 320 . 21 1 1 A 34 34 ALA H H 61 9.200 8.457 0.743 1
1 321 . 21 1 1 A 34 34 ALA HA H 61 5.000 4.971 0.029 1
1 325 . 21 1 1 A 34 34 ALA C C 61 171.610 175.735 -4.125 1
1 326 . 21 1 1 A 34 34 ALA CA C 61 52.320 51.384 0.936 1
1 327 . 21 1 1 A 34 34 ALA CB C 61 23.950 22.970 0.980 1
1 328 . 21 1 1 A 34 34 ALA N N 61 125.170 121.259 3.911 1
1 329 . 21 1 1 A 35 35 ILE H H 62 9.470 8.627 0.843 1
1 330 . 21 1 1 A 35 35 ILE HA H 62 5.350 4.953 0.397 1
1 340 . 21 1 1 A 35 35 ILE C C 62 170.850 173.317 -2.467 1
1 341 . 21 1 1 A 35 35 ILE CA C 62 59.260 59.609 -0.349 1
1 342 . 21 1 1 A 35 35 ILE CB C 62 43.660 42.354 1.306 1
1 346 . 21 1 1 A 35 35 ILE N N 62 120.630 119.521 1.109 1
1 347 . 21 1 1 A 36 36 ILE H H 63 8.500 8.881 -0.381 1
1 348 . 21 1 1 A 36 36 ILE HA H 63 5.240 5.249 -0.009 1
1 358 . 21 1 1 A 36 36 ILE C C 63 170.510 173.129 -2.619 1
1 359 . 21 1 1 A 36 36 ILE CA C 63 59.130 59.280 -0.150 1
1 360 . 21 1 1 A 36 36 ILE CB C 63 41.670 42.478 -0.808 1
1 364 . 21 1 1 A 36 36 ILE N N 63 125.830 126.121 -0.291 1
1 365 . 21 1 1 A 37 37 GLU H H 64 8.450 8.762 -0.312 1
1 366 . 21 1 1 A 37 37 GLU HA H 64 5.010 4.882 0.128 1
1 371 . 21 1 1 A 37 37 GLU C C 64 171.410 174.344 -2.934 1
1 372 . 21 1 1 A 37 37 GLU CA C 64 54.830 55.067 -0.237 1
1 373 . 21 1 1 A 37 37 GLU CB C 64 34.320 34.283 0.037 1
1 375 . 21 1 1 A 37 37 GLU N N 64 124.570 126.878 -2.308 1
1 376 . 21 1 1 A 38 38 GLU H H 65 8.300 8.558 -0.258 1
1 377 . 21 1 1 A 38 38 GLU HA H 65 5.040 4.937 0.103 1
1 382 . 21 1 1 A 38 38 GLU C C 65 172.920 175.931 -3.011 1
1 383 . 21 1 1 A 38 38 GLU CA C 65 54.760 55.083 -0.323 1
1 384 . 21 1 1 A 38 38 GLU CB C 65 33.470 31.567 1.903 1
1 386 . 21 1 1 A 38 38 GLU N N 65 123.960 123.698 0.262 1
1 387 . 21 1 1 A 39 39 ASP H H 66 8.470 8.302 0.168 1
1 388 . 21 1 1 A 39 39 ASP HA H 66 4.750 4.898 -0.148 1
1 391 . 21 1 1 A 39 39 ASP C C 66 174.940 177.747 -2.807 1
1 392 . 21 1 1 A 39 39 ASP CA C 66 52.890 52.498 0.392 1
1 393 . 21 1 1 A 39 39 ASP CB C 66 41.990 41.426 0.564 1
1 394 . 21 1 1 A 39 39 ASP N N 66 124.870 126.974 -2.104 1
1 395 . 21 1 1 A 40 40 ASP H H 67 8.380 8.905 -0.525 1
1 396 . 21 1 1 A 40 40 ASP HA H 67 4.310 4.458 -0.148 1
1 399 . 21 1 1 A 40 40 ASP C C 67 174.210 176.938 -2.728 1
1 400 . 21 1 1 A 40 40 ASP CA C 67 56.350 56.090 0.260 1
1 401 . 21 1 1 A 40 40 ASP CB C 67 40.510 39.991 0.519 1
1 402 . 21 1 1 A 40 40 ASP N N 67 116.220 118.540 -2.320 1
1 403 . 21 1 1 A 41 41 GLN H H 68 8.200 7.791 0.409 1
1 404 . 21 1 1 A 41 41 GLN HA H 68 4.380 4.371 0.009 1
1 411 . 21 1 1 A 41 41 GLN C C 68 173.740 176.427 -2.687 1
1 412 . 21 1 1 A 41 41 GLN CA C 68 55.590 55.636 -0.046 1
1 413 . 21 1 1 A 41 41 GLN CB C 68 29.780 29.530 0.250 1
1 415 . 21 1 1 A 41 41 GLN N N 68 117.190 117.488 -0.298 1
1 417 . 21 1 1 A 42 42 GLY H H 69 8.000 8.189 -0.189 1
1 418 . 21 1 1 A 42 42 GLY HA2 H 69 3.630 3.908 -0.278 1
1 419 . 21 1 1 A 42 42 GLY HA3 H 69 4.140 3.911 0.229 1
1 420 . 21 1 1 A 42 42 GLY C C 69 171.650 174.247 -2.597 1
1 421 . 21 1 1 A 42 42 GLY CA C 69 45.730 45.654 0.076 1
1 422 . 21 1 1 A 42 42 GLY N N 69 108.130 108.784 -0.654 1
1 423 . 21 1 1 A 43 43 GLU H H 70 8.410 7.547 0.863 1
1 424 . 21 1 1 A 43 43 GLU HA H 70 4.450 4.599 -0.149 1
1 429 . 21 1 1 A 43 43 GLU C C 70 173.970 176.341 -2.371 1
1 430 . 21 1 1 A 43 43 GLU CA C 70 56.020 55.266 0.754 1
1 431 . 21 1 1 A 43 43 GLU CB C 70 30.300 31.079 -0.779 1
1 433 . 21 1 1 A 43 43 GLU N N 70 122.300 119.752 2.548 1
1 434 . 21 1 1 A 44 44 THR H H 71 8.620 8.466 0.154 1
1 435 . 21 1 1 A 44 44 THR HA H 71 5.210 5.193 0.017 1
1 440 . 21 1 1 A 44 44 THR C C 71 172.160 174.072 -1.912 1
1 441 . 21 1 1 A 44 44 THR CA C 71 61.600 60.823 0.777 1
1 442 . 21 1 1 A 44 44 THR CB C 71 71.000 70.083 0.917 1
1 444 . 21 1 1 A 44 44 THR N N 71 117.330 113.873 3.457 1
1 445 . 21 1 1 A 45 45 THR H H 72 8.760 8.621 0.139 1
1 446 . 21 1 1 A 45 45 THR HA H 72 4.500 5.073 -0.573 1
1 451 . 21 1 1 A 45 45 THR C C 72 169.600 173.700 -4.100 1
1 452 . 21 1 1 A 45 45 THR CA C 72 61.270 60.592 0.678 1
1 453 . 21 1 1 A 45 45 THR CB C 72 72.320 70.049 2.271 1
1 455 . 21 1 1 A 45 45 THR N N 72 117.840 118.035 -0.195 1
1 456 . 21 1 1 A 46 46 LEU H H 73 8.400 9.191 -0.791 1
1 457 . 21 1 1 A 46 46 LEU HA H 73 5.250 5.114 0.136 1
1 464 . 21 1 1 A 46 46 LEU C C 73 173.150 175.553 -2.403 1
1 465 . 21 1 1 A 46 46 LEU CA C 73 54.300 53.904 0.396 1
1 466 . 21 1 1 A 46 46 LEU CB C 73 44.860 43.588 1.272 1
1 470 . 21 1 1 A 46 46 LEU N N 73 126.020 127.661 -1.641 1
1 471 . 21 1 1 A 47 47 ALA HA H 74 4.760 5.499 -0.739 1
1 475 . 21 1 1 A 47 47 ALA C C 74 172.740 175.485 -2.745 1
1 476 . 21 1 1 A 47 47 ALA CA C 74 51.440 50.946 0.494 1
1 477 . 21 1 1 A 47 47 ALA CB C 74 23.350 23.577 -0.227 1
1 478 . 21 1 1 A 48 48 SER H H 75 8.700 8.330 0.370 1
1 479 . 21 1 1 A 48 48 SER HA H 75 4.500 4.657 -0.157 1
1 482 . 21 1 1 A 48 48 SER C C 75 171.590 172.937 -1.347 1
1 483 . 21 1 1 A 48 48 SER CA C 75 57.740 56.403 1.337 1
1 484 . 21 1 1 A 48 48 SER CB C 75 65.700 65.935 -0.235 1
1 485 . 21 1 1 A 48 48 SER N N 75 111.400 113.957 -2.557 1
1 486 . 21 1 1 A 49 49 GLY H H 76 6.440 7.182 -0.742 1
1 487 . 21 1 1 A 49 49 GLY HA2 H 76 3.850 3.863 -0.013 1
1 488 . 21 1 1 A 49 49 GLY HA3 H 76 3.730 3.873 -0.143 1
1 489 . 21 1 1 A 49 49 GLY C C 76 167.890 171.186 -3.296 1
1 490 . 21 1 1 A 49 49 GLY CA C 76 47.420 45.878 1.542 1
1 491 . 21 1 1 A 49 49 GLY N N 76 105.480 105.525 -0.045 1
1 492 . 21 1 1 A 50 50 CYS H H 77 8.740 8.331 0.409 1
1 493 . 21 1 1 A 50 50 CYS HA H 77 4.950 5.350 -0.400 1
1 496 . 21 1 1 A 50 50 CYS C C 77 170.670 172.701 -2.031 1
1 497 . 21 1 1 A 50 50 CYS CA C 77 60.030 55.288 4.742 1
1 498 . 21 1 1 A 50 50 CYS CB C 77 46.100 43.349 2.751 1
1 499 . 21 1 1 A 50 50 CYS N N 77 118.960 119.985 -1.025 1
1 500 . 21 1 1 A 51 51 MET H H 78 9.240 9.067 0.173 1
1 501 . 21 1 1 A 51 51 MET HA H 78 4.760 5.003 -0.243 1
1 509 . 21 1 1 A 51 51 MET C C 78 171.990 175.899 -3.909 1
1 510 . 21 1 1 A 51 51 MET CA C 78 54.630 54.181 0.449 1
1 511 . 21 1 1 A 51 51 MET CB C 78 35.810 35.096 0.714 1
1 514 . 21 1 1 A 51 51 MET N N 78 122.340 126.008 -3.668 1
1 515 . 21 1 1 A 52 52 LYS H H 79 8.430 8.412 0.018 1
1 516 . 21 1 1 A 52 52 LYS HA H 79 4.160 4.253 -0.093 1
1 525 . 21 1 1 A 52 52 LYS C C 79 173.040 175.741 -2.701 1
1 526 . 21 1 1 A 52 52 LYS CA C 79 57.120 56.429 0.691 1
1 527 . 21 1 1 A 52 52 LYS CB C 79 33.720 32.708 1.012 1
1 531 . 21 1 1 A 52 52 LYS N N 79 125.030 124.270 0.760 1
1 532 . 21 1 1 A 53 53 TYR H H 80 8.400 8.814 -0.414 1
1 533 . 21 1 1 A 53 53 TYR HA H 80 4.200 4.597 -0.397 1
1 536 . 21 1 1 A 53 53 TYR C C 80 173.370 175.204 -1.834 1
1 537 . 21 1 1 A 53 53 TYR CA C 80 59.910 59.426 0.484 1
1 538 . 21 1 1 A 53 53 TYR CB C 80 39.000 39.192 -0.192 1
1 539 . 21 1 1 A 53 53 TYR N N 80 121.420 122.314 -0.894 1
1 540 . 21 1 1 A 54 54 GLU H H 81 8.490 8.654 -0.164 1
1 541 . 21 1 1 A 54 54 GLU HA H 81 4.170 4.523 -0.353 1
1 545 . 21 1 1 A 54 54 GLU C C 81 173.240 176.917 -3.677 1
1 546 . 21 1 1 A 54 54 GLU CA C 81 56.440 56.926 -0.486 1
1 547 . 21 1 1 A 54 54 GLU CB C 81 30.860 32.235 -1.375 1
1 549 . 21 1 1 A 54 54 GLU N N 81 123.790 124.445 -0.655 1
1 550 . 21 1 1 A 55 55 GLY H H 82 7.200 7.407 -0.207 1
1 551 . 21 1 1 A 55 55 GLY HA2 H 82 4.050 3.897 0.153 1
1 552 . 21 1 1 A 55 55 GLY HA3 H 82 3.690 3.898 -0.208 1
1 553 . 21 1 1 A 55 55 GLY C C 82 171.520 174.154 -2.634 1
1 554 . 21 1 1 A 55 55 GLY CA C 82 45.680 45.454 0.226 1
1 555 . 21 1 1 A 55 55 GLY N N 82 108.400 105.135 3.265 1
1 556 . 21 1 1 A 56 56 SER H H 83 8.140 8.328 -0.188 1
1 557 . 21 1 1 A 56 56 SER HA H 83 4.280 4.262 0.018 1
1 560 . 21 1 1 A 56 56 SER C C 83 171.900 174.996 -3.096 1
1 561 . 21 1 1 A 56 56 SER CA C 83 59.270 59.826 -0.556 1
1 562 . 21 1 1 A 56 56 SER CB C 83 63.960 62.851 1.109 1
1 563 . 21 1 1 A 56 56 SER N N 83 114.650 117.232 -2.582 1
1 564 . 21 1 1 A 57 57 ASP H H 84 8.340 7.848 0.492 1
1 565 . 21 1 1 A 57 57 ASP HA H 84 4.430 4.603 -0.173 1
1 568 . 21 1 1 A 57 57 ASP C C 84 173.100 177.290 -4.190 1
1 569 . 21 1 1 A 57 57 ASP CA C 84 54.950 56.597 -1.647 1
1 570 . 21 1 1 A 57 57 ASP CB C 84 40.840 41.737 -0.897 1
1 571 . 21 1 1 A 57 57 ASP N N 84 121.230 120.151 1.079 1
1 572 . 21 1 1 A 58 58 PHE H H 85 7.730 7.317 0.413 1
1 573 . 21 1 1 A 58 58 PHE HA H 85 4.260 4.718 -0.458 1
1 581 . 21 1 1 A 58 58 PHE C C 85 172.590 175.052 -2.462 1
1 582 . 21 1 1 A 58 58 PHE CA C 85 58.520 56.670 1.850 1
1 583 . 21 1 1 A 58 58 PHE CB C 85 39.840 39.535 0.305 1
1 584 . 21 1 1 A 58 58 PHE N N 85 118.920 111.152 7.768 1
1 585 . 21 1 1 A 59 59 GLN H H 86 7.790 7.439 0.351 1
1 586 . 21 1 1 A 59 59 GLN HA H 86 4.070 4.208 -0.138 1
1 593 . 21 1 1 A 59 59 GLN C C 86 172.550 175.288 -2.738 1
1 594 . 21 1 1 A 59 59 GLN CA C 86 56.000 55.274 0.726 1
1 595 . 21 1 1 A 59 59 GLN CB C 86 30.600 26.507 4.093 1
1 597 . 21 1 1 A 59 59 GLN N N 86 120.280 119.540 0.740 1
1 599 . 21 1 1 A 60 60 CYS H H 87 8.100 8.104 -0.004 1
1 600 . 21 1 1 A 60 60 CYS HA H 87 4.140 4.779 -0.639 1
1 603 . 21 1 1 A 60 60 CYS C C 87 170.910 173.027 -2.117 1
1 604 . 21 1 1 A 60 60 CYS CA C 87 56.810 55.509 1.301 1
1 605 . 21 1 1 A 60 60 CYS CB C 87 40.780 43.632 -2.852 1
1 606 . 21 1 1 A 60 60 CYS N N 87 118.790 120.787 -1.997 1
1 607 . 21 1 1 A 61 61 LYS H H 88 7.610 7.617 -0.007 1
1 608 . 21 1 1 A 61 61 LYS HA H 88 4.280 4.635 -0.355 1
1 617 . 21 1 1 A 61 61 LYS C C 88 172.330 175.553 -3.223 1
1 618 . 21 1 1 A 61 61 LYS CA C 88 56.210 55.200 1.010 1
1 619 . 21 1 1 A 61 61 LYS CB C 88 34.210 34.118 0.092 1
1 623 . 21 1 1 A 61 61 LYS N N 88 120.330 121.491 -1.161 1
1 624 . 21 1 1 A 62 62 ASP H H 89 8.180 8.763 -0.583 1
1 625 . 21 1 1 A 62 62 ASP HA H 89 4.500 5.279 -0.779 1
1 628 . 21 1 1 A 62 62 ASP C C 89 172.970 175.644 -2.674 1
1 629 . 21 1 1 A 62 62 ASP CA C 89 54.200 52.931 1.269 1
1 630 . 21 1 1 A 62 62 ASP CB C 89 42.090 42.451 -0.361 1
1 631 . 21 1 1 A 62 62 ASP N N 89 121.190 120.414 0.776 1
1 632 . 21 1 1 A 63 63 SER H H 90 8.190 8.848 -0.658 1
1 633 . 21 1 1 A 63 63 SER HA H 90 4.640 4.750 -0.110 1
1 636 . 21 1 1 A 63 63 SER C C 90 170.240 174.248 -4.008 1
1 637 . 21 1 1 A 63 63 SER CA C 90 56.600 57.251 -0.651 1
1 638 . 21 1 1 A 63 63 SER CB C 90 63.770 62.883 0.887 1
1 639 . 21 1 1 A 63 63 SER N N 90 116.710 120.149 -3.439 1
1 640 . 21 1 1 A 64 64 PRO HA H 91 4.350 4.602 -0.252 1
1 647 . 21 1 1 A 64 64 PRO CA C 91 63.800 62.790 1.010 1
1 648 . 21 1 1 A 64 64 PRO CB C 91 32.410 29.644 2.766 1
1 651 . 21 1 1 A 65 65 LYS H H 92 8.240 7.644 0.596 1
1 652 . 21 1 1 A 65 65 LYS HA H 92 4.210 4.533 -0.323 1
1 661 . 21 1 1 A 65 65 LYS C C 92 173.330 174.663 -1.333 1
1 662 . 21 1 1 A 65 65 LYS CA C 92 56.410 55.239 1.171 1
1 663 . 21 1 1 A 65 65 LYS CB C 92 33.230 32.988 0.242 1
1 667 . 21 1 1 A 65 65 LYS N N 92 120.180 121.941 -1.761 1
1 668 . 21 1 1 A 66 66 ALA H H 93 8.040 7.590 0.450 1
1 669 . 21 1 1 A 66 66 ALA HA H 93 4.210 4.273 -0.063 1
1 673 . 21 1 1 A 66 66 ALA C C 93 174.580 177.559 -2.979 1
1 674 . 21 1 1 A 66 66 ALA CA C 93 53.020 52.419 0.601 1
1 675 . 21 1 1 A 66 66 ALA CB C 93 19.760 19.689 0.071 1
1 676 . 21 1 1 A 66 66 ALA N N 93 124.050 124.262 -0.212 1
1 677 . 21 1 1 A 67 67 GLN H H 94 8.320 8.468 -0.148 1
1 678 . 21 1 1 A 67 67 GLN HA H 94 4.190 4.514 -0.324 1
1 685 . 21 1 1 A 67 67 GLN C C 94 172.780 175.132 -2.352 1
1 686 . 21 1 1 A 67 67 GLN CA C 94 56.750 54.290 2.460 1
1 687 . 21 1 1 A 67 67 GLN CB C 94 29.100 31.056 -1.956 1
1 689 . 21 1 1 A 67 67 GLN N N 94 117.930 119.021 -1.091 1
1 691 . 21 1 1 A 68 68 LEU H H 95 7.730 8.162 -0.432 1
1 692 . 21 1 1 A 68 68 LEU HA H 95 4.360 4.388 -0.028 1
1 702 . 21 1 1 A 68 68 LEU C C 95 174.270 177.094 -2.824 1
1 703 . 21 1 1 A 68 68 LEU CA C 95 54.970 54.984 -0.014 1
1 704 . 21 1 1 A 68 68 LEU CB C 95 43.120 43.332 -0.212 1
1 708 . 21 1 1 A 68 68 LEU N N 95 120.470 122.558 -2.088 1
1 709 . 21 1 1 A 69 69 ARG H H 96 8.600 8.664 -0.064 1
1 710 . 21 1 1 A 69 69 ARG HA H 96 4.230 4.461 -0.231 1
1 718 . 21 1 1 A 69 69 ARG C C 96 171.700 176.240 -4.540 1
1 719 . 21 1 1 A 69 69 ARG CA C 96 56.570 56.375 0.195 1
1 720 . 21 1 1 A 69 69 ARG CB C 96 30.660 30.600 0.060 1
1 723 . 21 1 1 A 69 69 ARG N N 96 121.670 123.449 -1.779 1
1 725 . 21 1 1 A 70 70 ARG H H 97 7.800 8.656 -0.856 1
1 726 . 21 1 1 A 70 70 ARG HA H 97 5.170 5.207 -0.037 1
1 734 . 21 1 1 A 70 70 ARG C C 97 172.120 173.344 -1.224 1
1 735 . 21 1 1 A 70 70 ARG CA C 97 55.260 54.702 0.558 1
1 736 . 21 1 1 A 70 70 ARG CB C 97 34.040 34.099 -0.059 1
1 739 . 21 1 1 A 70 70 ARG N N 97 120.130 121.279 -1.149 1
1 741 . 21 1 1 A 71 71 THR H H 98 8.610 8.295 0.315 1
1 742 . 21 1 1 A 71 71 THR HA H 98 4.600 5.254 -0.654 1
1 747 . 21 1 1 A 71 71 THR C C 98 169.250 173.533 -4.283 1
1 748 . 21 1 1 A 71 71 THR CA C 98 62.030 61.399 0.631 1
1 749 . 21 1 1 A 71 71 THR CB C 98 71.970 72.040 -0.070 1
1 751 . 21 1 1 A 71 71 THR N N 98 118.550 113.870 4.680 1
1 752 . 21 1 1 A 72 72 ILE H H 99 8.520 8.710 -0.190 1
1 753 . 21 1 1 A 72 72 ILE HA H 99 5.080 5.111 -0.031 1
1 763 . 21 1 1 A 72 72 ILE C C 99 170.930 172.923 -1.993 1
1 764 . 21 1 1 A 72 72 ILE CA C 99 59.370 59.417 -0.047 1
1 765 . 21 1 1 A 72 72 ILE CB C 99 42.140 42.376 -0.236 1
1 769 . 21 1 1 A 72 72 ILE N N 99 125.230 122.976 2.254 1
1 770 . 21 1 1 A 73 73 GLU H H 100 8.860 8.743 0.117 1
1 771 . 21 1 1 A 73 73 GLU HA H 100 4.670 5.094 -0.424 1
1 776 . 21 1 1 A 73 73 GLU C C 100 172.200 175.083 -2.883 1
1 777 . 21 1 1 A 73 73 GLU CA C 100 55.840 54.778 1.062 1
1 778 . 21 1 1 A 73 73 GLU CB C 100 34.410 33.036 1.374 1
1 780 . 21 1 1 A 73 73 GLU N N 100 125.680 126.179 -0.499 1
1 781 . 21 1 1 A 74 74 CYS H H 101 8.830 9.046 -0.216 1
1 782 . 21 1 1 A 74 74 CYS HA H 101 5.790 5.456 0.334 1
1 785 . 21 1 1 A 74 74 CYS C C 101 170.360 172.619 -2.259 1
1 786 . 21 1 1 A 74 74 CYS CA C 101 55.010 54.319 0.691 1
1 787 . 21 1 1 A 74 74 CYS CB C 101 45.320 44.503 0.817 1
1 788 . 21 1 1 A 74 74 CYS N N 101 119.260 121.267 -2.007 1
1 789 . 21 1 1 A 75 75 CYS H H 102 9.130 8.689 0.441 1
1 790 . 21 1 1 A 75 75 CYS HA H 102 5.000 5.229 -0.229 1
1 793 . 21 1 1 A 75 75 CYS C C 102 170.670 171.984 -1.314 1
1 794 . 21 1 1 A 75 75 CYS CA C 102 56.180 55.245 0.935 1
1 795 . 21 1 1 A 75 75 CYS CB C 102 46.090 46.303 -0.213 1
1 796 . 21 1 1 A 75 75 CYS N N 102 116.460 118.370 -1.910 1
1 797 . 21 1 1 A 76 76 ARG H H 103 9.240 9.075 0.165 1
1 798 . 21 1 1 A 76 76 ARG HA H 103 4.800 4.640 0.160 1
1 806 . 21 1 1 A 76 76 ARG C C 103 172.120 174.682 -2.562 1
1 807 . 21 1 1 A 76 76 ARG CA C 103 56.230 54.982 1.248 1
1 808 . 21 1 1 A 76 76 ARG CB C 103 32.610 29.959 2.651 1
1 811 . 21 1 1 A 76 76 ARG N N 103 122.520 125.031 -2.511 1
1 813 . 21 1 1 A 77 77 THR H H 104 7.440 7.710 -0.270 1
1 814 . 21 1 1 A 77 77 THR HA H 104 4.600 5.194 -0.594 1
1 819 . 21 1 1 A 77 77 THR C C 104 171.890 173.414 -1.524 1
1 820 . 21 1 1 A 77 77 THR CA C 104 61.270 59.557 1.713 1
1 821 . 21 1 1 A 77 77 THR CB C 104 72.490 72.118 0.372 1
1 823 . 21 1 1 A 77 77 THR N N 104 109.730 112.240 -2.510 1
1 824 . 21 1 1 A 78 78 ASN H H 105 8.590 8.678 -0.088 1
1 825 . 21 1 1 A 78 78 ASN HA H 105 4.790 4.673 0.117 1
1 830 . 21 1 1 A 78 78 ASN C C 105 174.150 175.292 -1.142 1
1 831 . 21 1 1 A 78 78 ASN CA C 105 55.870 54.079 1.791 1
1 832 . 21 1 1 A 78 78 ASN CB C 105 39.260 38.245 1.015 1
1 833 . 21 1 1 A 78 78 ASN N N 105 119.360 119.578 -0.218 1
1 835 . 21 1 1 A 79 79 LEU H H 106 9.980 8.781 1.199 1
1 836 . 21 1 1 A 79 79 LEU HA H 106 3.680 3.909 -0.229 1
1 846 . 21 1 1 A 79 79 LEU C C 106 175.050 177.536 -2.486 1
1 847 . 21 1 1 A 79 79 LEU CA C 106 56.790 56.077 0.713 1
1 848 . 21 1 1 A 79 79 LEU CB C 106 38.920 39.348 -0.428 1
1 852 . 21 1 1 A 79 79 LEU N N 106 118.230 117.734 0.496 1
1 853 . 21 1 1 A 80 80 CYS H H 107 8.250 8.023 0.227 1
1 854 . 21 1 1 A 80 80 CYS HA H 107 4.320 4.429 -0.109 1
1 857 . 21 1 1 A 80 80 CYS C C 107 172.470 174.912 -2.442 1
1 858 . 21 1 1 A 80 80 CYS CA C 107 58.370 58.747 -0.377 1
1 859 . 21 1 1 A 80 80 CYS CB C 107 46.090 42.147 3.943 1
1 860 . 21 1 1 A 80 80 CYS N N 107 115.460 116.206 -0.746 1
1 861 . 21 1 1 A 81 81 ASN H H 108 8.590 7.929 0.661 1
1 862 . 21 1 1 A 81 81 ASN HA H 108 4.430 4.676 -0.246 1
1 867 . 21 1 1 A 81 81 ASN C C 108 172.210 177.403 -5.193 1
1 868 . 21 1 1 A 81 81 ASN CA C 108 53.320 54.733 -1.413 1
1 869 . 21 1 1 A 81 81 ASN CB C 108 37.290 38.821 -1.531 1
1 870 . 21 1 1 A 81 81 ASN N N 108 118.040 119.098 -1.058 1
1 872 . 21 1 1 A 82 82 GLN H H 109 7.490 8.080 -0.590 1
1 873 . 21 1 1 A 82 82 GLN HA H 109 3.380 3.631 -0.251 1
1 880 . 21 1 1 A 82 82 GLN C C 109 172.300 176.832 -4.532 1
1 881 . 21 1 1 A 82 82 GLN CA C 109 58.940 58.253 0.687 1
1 882 . 21 1 1 A 82 82 GLN CB C 109 28.770 27.813 0.957 1
1 884 . 21 1 1 A 82 82 GLN N N 109 121.350 119.944 1.406 1
1 886 . 21 1 1 A 83 83 TYR H H 110 7.830 7.672 0.158 1
1 887 . 21 1 1 A 83 83 TYR HA H 110 4.590 4.651 -0.061 1
1 892 . 21 1 1 A 83 83 TYR CA C 110 56.490 57.329 -0.839 1
1 893 . 21 1 1 A 83 83 TYR CB C 110 38.400 38.060 0.340 1
1 894 . 21 1 1 A 83 83 TYR N N 110 114.600 116.449 -1.849 1
1 895 . 21 1 1 A 84 84 LEU H H 111 6.610 7.283 -0.673 1
1 896 . 21 1 1 A 84 84 LEU HA H 111 4.170 5.014 -0.844 1
1 905 . 21 1 1 A 84 84 LEU C C 111 172.880 174.759 -1.879 1
1 906 . 21 1 1 A 84 84 LEU CA C 111 55.250 53.514 1.736 1
1 907 . 21 1 1 A 84 84 LEU CB C 111 43.400 45.152 -1.752 1
1 911 . 21 1 1 A 84 84 LEU N N 111 120.140 121.878 -1.738 1
1 912 . 21 1 1 A 85 85 GLN H H 112 8.780 8.913 -0.133 1
1 913 . 21 1 1 A 85 85 GLN HA H 112 4.570 4.788 -0.218 1
1 920 . 21 1 1 A 85 85 GLN C C 112 169.480 174.457 -4.977 1
1 921 . 21 1 1 A 85 85 GLN CA C 112 53.110 52.770 0.340 1
1 922 . 21 1 1 A 85 85 GLN CB C 112 30.000 30.077 -0.077 1
1 924 . 21 1 1 A 85 85 GLN N N 112 122.790 127.757 -4.967 1
1 926 . 21 1 1 A 86 86 PRO HA H 113 4.400 4.816 -0.416 1
1 931 . 21 1 1 A 86 86 PRO CA C 113 63.040 62.682 0.358 1
1 932 . 21 1 1 A 86 86 PRO CB C 113 32.400 32.525 -0.125 1
1 935 . 21 1 1 A 87 87 THR H H 114 8.180 8.558 -0.378 1
1 936 . 21 1 1 A 87 87 THR HA H 114 4.400 5.085 -0.685 1
1 941 . 21 1 1 A 87 87 THR C C 114 172.180 173.111 -0.931 1
1 942 . 21 1 1 A 87 87 THR CA C 114 60.960 59.791 1.169 1
1 943 . 21 1 1 A 87 87 THR CB C 114 71.290 71.880 -0.590 1
1 945 . 21 1 1 A 87 87 THR N N 114 111.930 112.642 -0.712 1
1 946 . 21 1 1 A 88 88 LEU H H 115 8.580 8.693 -0.113 1
1 947 . 21 1 1 A 88 88 LEU HA H 115 4.300 4.887 -0.587 1
1 956 . 21 1 1 A 88 88 LEU C C 115 171.740 174.555 -2.815 1
1 957 . 21 1 1 A 88 88 LEU CA C 115 53.230 53.681 -0.451 1
1 958 . 21 1 1 A 88 88 LEU CB C 115 41.900 41.012 0.888 1
1 962 . 21 1 1 A 88 88 LEU N N 115 125.290 125.372 -0.082 1
1 963 . 21 1 1 A 89 89 PRO HA H 116 4.630 4.695 -0.065 1
1 970 . 21 1 1 A 89 89 PRO CA C 116 61.580 61.618 -0.038 1
1 971 . 21 1 1 A 89 89 PRO CB C 116 30.980 31.567 -0.587 1
1 974 . 21 1 1 A 90 90 PRO HA H 117 4.350 4.540 -0.190 1
1 977 . 21 1 1 A 90 90 PRO CA C 117 63.010 62.884 0.126 1
1 978 . 21 1 1 A 90 90 PRO CB C 117 32.300 31.848 0.452 1
1 981 . 21 1 1 A 91 91 VAL H H 118 8.190 8.340 -0.150 1
1 982 . 21 1 1 A 91 91 VAL HA H 118 3.900 4.405 -0.505 1
1 990 . 21 1 1 A 91 91 VAL C C 118 173.270 175.885 -2.615 1
1 991 . 21 1 1 A 91 91 VAL CA C 118 62.890 62.306 0.584 1
1 992 . 21 1 1 A 91 91 VAL CB C 118 32.980 32.348 0.632 1
1 994 . 21 1 1 A 91 91 VAL N N 118 120.460 123.483 -3.023 1
1 995 . 21 1 1 A 92 92 VAL H H 119 8.180 8.386 -0.206 1
1 996 . 21 1 1 A 92 92 VAL HA H 119 4.040 4.390 -0.350 1
1 1004 . 21 1 1 A 92 92 VAL C C 119 172.960 174.917 -1.957 1
1 1005 . 21 1 1 A 92 92 VAL CA C 119 62.250 61.935 0.315 1
1 1006 . 21 1 1 A 92 92 VAL CB C 119 33.280 33.113 0.167 1
1 1008 . 21 1 1 A 92 92 VAL N N 119 125.030 123.815 1.215 1
1 1009 . 21 1 1 A 93 93 ILE H H 120 8.220 8.637 -0.417 1
1 1010 . 21 1 1 A 93 93 ILE HA H 120 4.110 4.852 -0.742 1
1 1015 . 21 1 1 A 93 93 ILE C C 120 173.440 174.750 -1.310 1
1 1016 . 21 1 1 A 93 93 ILE CA C 120 61.050 59.505 1.545 1
1 1017 . 21 1 1 A 93 93 ILE CB C 120 39.030 41.933 -2.903 1
1 1021 . 21 1 1 A 93 93 ILE N N 120 125.690 126.628 -0.938 1
1 1022 . 21 1 1 A 94 94 GLY H H 121 8.190 8.339 -0.149 1
1 1023 . 21 1 1 A 94 94 GLY HA2 H 121 4.050 4.087 -0.037 1
1 1024 . 21 1 1 A 94 94 GLY HA3 H 121 3.940 4.089 -0.149 1
1 1025 . 21 1 1 A 94 94 GLY C C 121 169.080 174.697 -5.617 1
1 1026 . 21 1 1 A 94 94 GLY CA C 121 44.850 45.730 -0.880 1
1 1027 . 21 1 1 A 94 94 GLY N N 121 113.150 114.195 -1.045 1
1 1028 . 21 1 1 A 95 95 PRO HA H 122 4.270 4.714 -0.444 1
1 1032 . 21 1 1 A 95 95 PRO CA C 122 63.340 62.529 0.811 1
1 1033 . 21 1 1 A 95 95 PRO CB C 122 32.160 32.813 -0.653 1
1 1036 . 21 1 1 A 96 96 PHE H H 123 8.140 8.260 -0.120 1
1 1037 . 21 1 1 A 96 96 PHE HA H 123 4.510 5.356 -0.846 1
1 1040 . 21 1 1 A 96 96 PHE C C 123 172.700 172.695 0.005 1
1 1041 . 21 1 1 A 96 96 PHE CA C 123 58.040 56.058 1.982 1
1 1042 . 21 1 1 A 96 96 PHE CB C 123 39.710 42.083 -2.373 1
1 1043 . 21 1 1 A 96 96 PHE N N 123 119.410 117.129 2.281 1
1 1044 . 21 1 1 A 97 97 PHE H H 124 8.000 9.109 -1.109 1
1 1045 . 21 1 1 A 97 97 PHE HA H 124 4.490 5.035 -0.545 1
1 1048 . 21 1 1 A 97 97 PHE C C 124 172.140 174.542 -2.402 1
1 1049 . 21 1 1 A 97 97 PHE CA C 124 58.000 56.286 1.714 1
1 1050 . 21 1 1 A 97 97 PHE CB C 124 40.140 43.849 -3.709 1
1 1051 . 21 1 1 A 97 97 PHE N N 124 122.180 116.869 5.311 1
1 1052 . 21 1 1 A 98 98 ASP H H 125 8.100 9.158 -1.058 1
1 1053 . 21 1 1 A 98 98 ASP HA H 125 4.400 5.086 -0.686 1
1 1056 . 21 1 1 A 98 98 ASP C C 125 173.870 176.024 -2.154 1
1 1057 . 21 1 1 A 98 98 ASP CA C 125 54.470 53.714 0.756 1
1 1058 . 21 1 1 A 98 98 ASP CB C 125 41.390 41.870 -0.480 1
1 1059 . 21 1 1 A 98 98 ASP N N 125 123.000 120.878 2.122 1
1 1060 . 21 1 1 A 99 99 GLY H H 126 8.010 7.950 0.060 1
1 1061 . 21 1 1 A 99 99 GLY HA3 H 126 3.860 4.182 -0.322 1
1 1062 . 21 1 1 A 99 99 GLY C C 126 171.640 173.802 -2.162 1
1 1063 . 21 1 1 A 99 99 GLY CA C 126 45.860 45.744 0.116 1
1 1064 . 21 1 1 A 99 99 GLY N N 126 109.280 107.888 1.392 1
1 1065 . 21 1 1 A 100 100 SER H H 127 8.110 7.657 0.453 1
1 1066 . 21 1 1 A 100 100 SER HA H 127 4.320 4.467 -0.147 1
1 1069 . 21 1 1 A 100 100 SER C C 127 171.520 173.747 -2.227 1
1 1070 . 21 1 1 A 100 100 SER CA C 127 59.190 59.267 -0.077 1
1 1071 . 21 1 1 A 100 100 SER CB C 127 64.240 63.956 0.284 1
1 1072 . 21 1 1 A 100 100 SER N N 127 115.760 116.342 -0.582 1
1 1073 . 21 1 1 A 101 101 ILE H H 128 7.960 8.523 -0.563 1
1 1074 . 21 1 1 A 101 101 ILE HA H 128 4.110 4.452 -0.342 1
1 1084 . 21 1 1 A 101 101 ILE C C 128 172.590 175.065 -2.475 1
1 1085 . 21 1 1 A 101 101 ILE CA C 128 61.800 60.407 1.393 1
1 1086 . 21 1 1 A 101 101 ILE CB C 128 38.820 39.252 -0.432 1
1 1090 . 21 1 1 A 101 101 ILE N N 128 122.050 126.351 -4.301 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 85 2.814 1
2 1 1 1 "RMS(OBS, PRED)" CA 98 1.299 1
3 1 1 1 "RMS(OBS, PRED)" CB 92 1.720 1
4 1 1 1 "RMS(OBS, PRED)" H 89 0.524 1
5 1 1 1 "RMS(OBS, PRED)" HA 103 0.407 1
6 1 1 1 "RMS(OBS, PRED)" N 86 2.722 1
7 1 2 1 "RMS(OBS, PRED)" C 85 2.928 1
8 1 2 1 "RMS(OBS, PRED)" CA 98 1.146 1
9 1 2 1 "RMS(OBS, PRED)" CB 92 1.577 1
10 1 2 1 "RMS(OBS, PRED)" H 89 0.494 1
11 1 2 1 "RMS(OBS, PRED)" HA 103 0.348 1
12 1 2 1 "RMS(OBS, PRED)" N 86 2.470 1
13 1 3 1 "RMS(OBS, PRED)" C 85 2.739 1
14 1 3 1 "RMS(OBS, PRED)" CA 98 1.209 1
15 1 3 1 "RMS(OBS, PRED)" CB 92 1.627 1
16 1 3 1 "RMS(OBS, PRED)" H 89 0.505 1
17 1 3 1 "RMS(OBS, PRED)" HA 103 0.384 1
18 1 3 1 "RMS(OBS, PRED)" N 86 2.632 1
19 1 4 1 "RMS(OBS, PRED)" C 85 2.808 1
20 1 4 1 "RMS(OBS, PRED)" CA 98 1.243 1
21 1 4 1 "RMS(OBS, PRED)" CB 92 1.700 1
22 1 4 1 "RMS(OBS, PRED)" H 89 0.496 1
23 1 4 1 "RMS(OBS, PRED)" HA 103 0.391 1
24 1 4 1 "RMS(OBS, PRED)" N 86 2.532 1
25 1 5 1 "RMS(OBS, PRED)" C 85 2.843 1
26 1 5 1 "RMS(OBS, PRED)" CA 98 1.163 1
27 1 5 1 "RMS(OBS, PRED)" CB 92 1.635 1
28 1 5 1 "RMS(OBS, PRED)" H 89 0.496 1
29 1 5 1 "RMS(OBS, PRED)" HA 103 0.374 1
30 1 5 1 "RMS(OBS, PRED)" N 86 2.428 1
31 1 6 1 "RMS(OBS, PRED)" C 85 2.817 1
32 1 6 1 "RMS(OBS, PRED)" CA 98 1.275 1
33 1 6 1 "RMS(OBS, PRED)" CB 92 1.593 1
34 1 6 1 "RMS(OBS, PRED)" H 89 0.511 1
35 1 6 1 "RMS(OBS, PRED)" HA 103 0.382 1
36 1 6 1 "RMS(OBS, PRED)" N 86 2.434 1
37 1 7 1 "RMS(OBS, PRED)" C 85 2.804 1
38 1 7 1 "RMS(OBS, PRED)" CA 98 1.154 1
39 1 7 1 "RMS(OBS, PRED)" CB 92 1.660 1
40 1 7 1 "RMS(OBS, PRED)" H 89 0.505 1
41 1 7 1 "RMS(OBS, PRED)" HA 103 0.375 1
42 1 7 1 "RMS(OBS, PRED)" N 86 2.544 1
43 1 8 1 "RMS(OBS, PRED)" C 85 2.757 1
44 1 8 1 "RMS(OBS, PRED)" CA 98 1.195 1
45 1 8 1 "RMS(OBS, PRED)" CB 92 1.692 1
46 1 8 1 "RMS(OBS, PRED)" H 89 0.503 1
47 1 8 1 "RMS(OBS, PRED)" HA 103 0.366 1
48 1 8 1 "RMS(OBS, PRED)" N 86 2.841 1
49 1 9 1 "RMS(OBS, PRED)" C 85 2.774 1
50 1 9 1 "RMS(OBS, PRED)" CA 98 1.179 1
51 1 9 1 "RMS(OBS, PRED)" CB 92 1.670 1
52 1 9 1 "RMS(OBS, PRED)" H 89 0.500 1
53 1 9 1 "RMS(OBS, PRED)" HA 103 0.368 1
54 1 9 1 "RMS(OBS, PRED)" N 86 2.493 1
55 1 10 1 "RMS(OBS, PRED)" C 85 2.842 1
56 1 10 1 "RMS(OBS, PRED)" CA 98 1.203 1
57 1 10 1 "RMS(OBS, PRED)" CB 92 1.609 1
58 1 10 1 "RMS(OBS, PRED)" H 89 0.501 1
59 1 10 1 "RMS(OBS, PRED)" HA 103 0.366 1
60 1 10 1 "RMS(OBS, PRED)" N 86 2.516 1
61 1 11 1 "RMS(OBS, PRED)" C 85 2.875 1
62 1 11 1 "RMS(OBS, PRED)" CA 98 1.114 1
63 1 11 1 "RMS(OBS, PRED)" CB 92 1.633 1
64 1 11 1 "RMS(OBS, PRED)" H 89 0.475 1
65 1 11 1 "RMS(OBS, PRED)" HA 103 0.364 1
66 1 11 1 "RMS(OBS, PRED)" N 86 2.304 1
67 1 12 1 "RMS(OBS, PRED)" C 85 2.787 1
68 1 12 1 "RMS(OBS, PRED)" CA 98 1.193 1
69 1 12 1 "RMS(OBS, PRED)" CB 92 1.642 1
70 1 12 1 "RMS(OBS, PRED)" H 89 0.495 1
71 1 12 1 "RMS(OBS, PRED)" HA 103 0.402 1
72 1 12 1 "RMS(OBS, PRED)" N 86 2.563 1
73 1 13 1 "RMS(OBS, PRED)" C 85 2.757 1
74 1 13 1 "RMS(OBS, PRED)" CA 98 1.205 1
75 1 13 1 "RMS(OBS, PRED)" CB 92 1.756 1
76 1 13 1 "RMS(OBS, PRED)" H 89 0.471 1
77 1 13 1 "RMS(OBS, PRED)" HA 103 0.394 1
78 1 13 1 "RMS(OBS, PRED)" N 86 2.655 1
79 1 14 1 "RMS(OBS, PRED)" C 85 2.827 1
80 1 14 1 "RMS(OBS, PRED)" CA 98 1.235 1
81 1 14 1 "RMS(OBS, PRED)" CB 92 1.603 1
82 1 14 1 "RMS(OBS, PRED)" H 89 0.493 1
83 1 14 1 "RMS(OBS, PRED)" HA 103 0.364 1
84 1 14 1 "RMS(OBS, PRED)" N 86 2.563 1
85 1 15 1 "RMS(OBS, PRED)" C 85 2.703 1
86 1 15 1 "RMS(OBS, PRED)" CA 98 1.218 1
87 1 15 1 "RMS(OBS, PRED)" CB 92 1.708 1
88 1 15 1 "RMS(OBS, PRED)" H 89 0.475 1
89 1 15 1 "RMS(OBS, PRED)" HA 103 0.386 1
90 1 15 1 "RMS(OBS, PRED)" N 86 2.538 1
91 1 16 1 "RMS(OBS, PRED)" C 85 2.772 1
92 1 16 1 "RMS(OBS, PRED)" CA 98 1.166 1
93 1 16 1 "RMS(OBS, PRED)" CB 92 1.670 1
94 1 16 1 "RMS(OBS, PRED)" H 89 0.498 1
95 1 16 1 "RMS(OBS, PRED)" HA 103 0.385 1
96 1 16 1 "RMS(OBS, PRED)" N 86 2.458 1
97 1 17 1 "RMS(OBS, PRED)" C 85 2.889 1
98 1 17 1 "RMS(OBS, PRED)" CA 98 1.269 1
99 1 17 1 "RMS(OBS, PRED)" CB 92 1.646 1
100 1 17 1 "RMS(OBS, PRED)" H 89 0.528 1
101 1 17 1 "RMS(OBS, PRED)" HA 103 0.376 1
102 1 17 1 "RMS(OBS, PRED)" N 86 2.685 1
103 1 18 1 "RMS(OBS, PRED)" C 85 2.813 1
104 1 18 1 "RMS(OBS, PRED)" CA 98 1.204 1
105 1 18 1 "RMS(OBS, PRED)" CB 92 1.661 1
106 1 18 1 "RMS(OBS, PRED)" H 89 0.503 1
107 1 18 1 "RMS(OBS, PRED)" HA 103 0.380 1
108 1 18 1 "RMS(OBS, PRED)" N 86 2.669 1
109 1 19 1 "RMS(OBS, PRED)" C 85 2.743 1
110 1 19 1 "RMS(OBS, PRED)" CA 98 1.177 1
111 1 19 1 "RMS(OBS, PRED)" CB 92 1.798 1
112 1 19 1 "RMS(OBS, PRED)" H 89 0.520 1
113 1 19 1 "RMS(OBS, PRED)" HA 103 0.403 1
114 1 19 1 "RMS(OBS, PRED)" N 86 2.454 1
115 1 20 1 "RMS(OBS, PRED)" C 85 2.710 1
116 1 20 1 "RMS(OBS, PRED)" CA 98 1.263 1
117 1 20 1 "RMS(OBS, PRED)" CB 92 1.737 1
118 1 20 1 "RMS(OBS, PRED)" H 89 0.497 1
119 1 20 1 "RMS(OBS, PRED)" HA 103 0.398 1
120 1 20 1 "RMS(OBS, PRED)" N 86 2.620 1
121 1 21 1 "RMS(OBS, PRED)" C 85 2.828 1
122 1 21 1 "RMS(OBS, PRED)" CA 98 1.163 1
123 1 21 1 "RMS(OBS, PRED)" CB 92 1.680 1
124 1 21 1 "RMS(OBS, PRED)" H 89 0.480 1
125 1 21 1 "RMS(OBS, PRED)" HA 103 0.380 1
126 1 21 1 "RMS(OBS, PRED)" N 86 2.412 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 2 2 PRO HA H 29 4.310 4.538 -0.228 2
1 8 . 1 1 A 2 2 PRO CA C 29 64.380 63.218 1.162 2
1 9 . 1 1 A 2 2 PRO CB C 29 32.300 31.737 0.563 2
1 12 . 1 1 A 3 3 GLU H H 30 9.010 8.767 0.243 2
1 13 . 1 1 A 3 3 GLU HA H 30 4.170 4.563 -0.393 2
1 18 . 1 1 A 3 3 GLU C C 30 173.730 175.407 -1.677 2
1 19 . 1 1 A 3 3 GLU CA C 30 57.560 55.741 1.819 2
1 20 . 1 1 A 3 3 GLU CB C 30 29.400 29.576 -0.176 2
1 22 . 1 1 A 3 3 GLU N N 30 118.790 122.748 -3.958 2
1 23 . 1 1 A 4 4 ASP H H 31 7.940 8.099 -0.159 2
1 24 . 1 1 A 4 4 ASP HA H 31 4.560 4.719 -0.159 2
1 27 . 1 1 A 4 4 ASP C C 31 173.600 174.883 -1.283 2
1 28 . 1 1 A 4 4 ASP CA C 31 54.940 53.727 1.213 2
1 29 . 1 1 A 4 4 ASP CB C 31 41.650 39.469 2.181 2
1 30 . 1 1 A 4 4 ASP N N 31 119.920 122.437 -2.517 2
1 31 . 1 1 A 5 5 THR H H 32 7.810 8.247 -0.437 2
1 32 . 1 1 A 5 5 THR HA H 32 4.160 4.810 -0.650 2
1 37 . 1 1 A 5 5 THR C C 32 171.630 173.677 -2.047 2
1 38 . 1 1 A 5 5 THR CA C 32 62.410 61.446 0.964 2
1 39 . 1 1 A 5 5 THR CB C 32 70.040 70.474 -0.434 2
1 41 . 1 1 A 5 5 THR N N 32 113.570 118.904 -5.334 2
1 42 . 1 1 A 6 6 LEU H H 33 8.100 8.689 -0.589 2
1 43 . 1 1 A 6 6 LEU HA H 33 4.490 4.743 -0.253 2
1 53 . 1 1 A 6 6 LEU C C 33 172.440 174.946 -2.506 2
1 54 . 1 1 A 6 6 LEU CA C 33 53.430 52.611 0.819 2
1 55 . 1 1 A 6 6 LEU CB C 33 41.900 42.867 -0.967 2
1 59 . 1 1 A 6 6 LEU N N 33 125.790 127.345 -1.555 2
1 60 . 1 1 A 7 7 PRO HA H 34 4.130 4.626 -0.496 2
1 67 . 1 1 A 7 7 PRO CA C 34 63.660 62.933 0.727 2
1 68 . 1 1 A 7 7 PRO CB C 34 31.970 32.243 -0.273 2
1 71 . 1 1 A 8 8 PHE H H 35 7.610 8.489 -0.879 2
1 72 . 1 1 A 8 8 PHE HA H 35 4.580 4.826 -0.246 2
1 77 . 1 1 A 8 8 PHE C C 35 171.110 174.588 -3.478 2
1 78 . 1 1 A 8 8 PHE CA C 35 57.690 56.072 1.618 2
1 79 . 1 1 A 8 8 PHE CB C 35 40.850 38.688 2.162 2
1 80 . 1 1 A 8 8 PHE N N 35 117.670 117.007 0.663 2
1 81 . 1 1 A 9 9 LEU H H 36 8.310 7.611 0.699 2
1 82 . 1 1 A 9 9 LEU HA H 36 4.420 4.745 -0.325 2
1 92 . 1 1 A 9 9 LEU C C 36 171.050 173.999 -2.949 2
1 93 . 1 1 A 9 9 LEU CA C 36 54.770 54.433 0.337 2
1 94 . 1 1 A 9 9 LEU CB C 36 44.230 45.089 -0.859 2
1 98 . 1 1 A 9 9 LEU N N 36 125.150 121.765 3.385 2
1 99 . 1 1 A 10 10 LYS H H 37 8.130 9.317 -1.187 2
1 100 . 1 1 A 10 10 LYS HA H 37 5.110 5.181 -0.071 2
1 109 . 1 1 A 10 10 LYS C C 37 172.470 175.030 -2.560 2
1 110 . 1 1 A 10 10 LYS CA C 37 54.730 55.053 -0.323 2
1 111 . 1 1 A 10 10 LYS CB C 37 35.010 34.329 0.681 2
1 115 . 1 1 A 10 10 LYS N N 37 123.550 128.030 -4.480 2
1 116 . 1 1 A 11 11 CYS H H 38 9.240 8.826 0.414 2
1 117 . 1 1 A 11 11 CYS HA H 38 4.890 5.444 -0.554 2
1 120 . 1 1 A 11 11 CYS C C 38 171.750 171.963 -0.213 2
1 121 . 1 1 A 11 11 CYS CA C 38 51.950 54.739 -2.789 2
1 122 . 1 1 A 11 11 CYS CB C 38 41.360 45.255 -3.895 2
1 123 . 1 1 A 11 11 CYS N N 38 121.580 124.046 -2.466 2
1 124 . 1 1 A 12 12 TYR H H 39 8.830 8.927 -0.097 2
1 125 . 1 1 A 12 12 TYR HA H 39 4.780 4.714 0.066 2
1 132 . 1 1 A 12 12 TYR C C 39 172.260 174.774 -2.514 2
1 133 . 1 1 A 12 12 TYR CA C 39 58.500 58.785 -0.285 2
1 134 . 1 1 A 12 12 TYR CB C 39 40.900 39.381 1.519 2
1 135 . 1 1 A 12 12 TYR N N 39 122.390 125.598 -3.208 2
1 136 . 1 1 A 13 13 CYS H H 40 7.690 7.957 -0.267 2
1 137 . 1 1 A 13 13 CYS HA H 40 4.420 5.725 -1.305 2
1 140 . 1 1 A 13 13 CYS CA C 40 53.850 54.028 -0.178 2
1 141 . 1 1 A 13 13 CYS CB C 40 48.920 45.199 3.721 2
1 142 . 1 1 A 14 14 SER H H 41 7.850 8.703 -0.853 2
1 143 . 1 1 A 14 14 SER HA H 41 4.160 4.914 -0.754 2
1 146 . 1 1 A 14 14 SER CA C 41 58.450 56.837 1.613 2
1 147 . 1 1 A 14 14 SER CB C 41 63.840 66.106 -2.266 2
1 148 . 1 1 A 14 14 SER N N 41 117.020 118.319 -1.299 2
1 149 . 1 1 A 16 16 HIS HA H 43 4.880 4.802 0.078 2
1 152 . 1 1 A 16 16 HIS CA C 43 54.770 54.719 0.051 2
1 153 . 1 1 A 16 16 HIS CB C 43 29.490 31.377 -1.887 2
1 154 . 1 1 A 17 17 CYS H H 44 8.560 8.523 0.037 2
1 155 . 1 1 A 18 18 PRO HA H 45 4.660 4.512 0.148 2
1 160 . 1 1 A 18 18 PRO CA C 45 62.500 62.749 -0.249 2
1 161 . 1 1 A 18 18 PRO CB C 45 33.140 32.754 0.386 2
1 164 . 1 1 A 19 19 ASP H H 46 8.800 8.702 0.098 2
1 165 . 1 1 A 19 19 ASP HA H 46 4.250 4.300 -0.050 2
1 168 . 1 1 A 19 19 ASP C C 46 173.430 176.533 -3.103 2
1 169 . 1 1 A 19 19 ASP CA C 46 57.190 56.902 0.288 2
1 170 . 1 1 A 19 19 ASP CB C 46 40.720 40.572 0.148 2
1 171 . 1 1 A 19 19 ASP N N 46 120.170 122.365 -2.195 2
1 172 . 1 1 A 20 20 ASP H H 47 8.050 8.246 -0.196 2
1 173 . 1 1 A 20 20 ASP HA H 47 4.510 4.632 -0.122 2
1 176 . 1 1 A 20 20 ASP C C 47 173.500 175.996 -2.496 2
1 177 . 1 1 A 20 20 ASP CA C 47 52.840 53.056 -0.216 2
1 178 . 1 1 A 20 20 ASP CB C 47 39.980 39.732 0.248 2
1 179 . 1 1 A 20 20 ASP N N 47 114.670 114.960 -0.290 2
1 180 . 1 1 A 21 21 ALA H H 48 7.350 7.271 0.079 2
1 181 . 1 1 A 21 21 ALA HA H 48 4.280 4.271 0.009 2
1 185 . 1 1 A 21 21 ALA C C 48 174.490 176.587 -2.097 2
1 186 . 1 1 A 21 21 ALA CA C 48 53.430 52.297 1.133 2
1 187 . 1 1 A 21 21 ALA CB C 48 20.870 20.067 0.803 2
1 188 . 1 1 A 21 21 ALA N N 48 122.660 122.497 0.163 2
1 189 . 1 1 A 22 22 ILE H H 49 7.960 8.139 -0.179 2
1 190 . 1 1 A 22 22 ILE HA H 49 4.240 4.574 -0.334 2
1 199 . 1 1 A 22 22 ILE C C 49 173.300 176.264 -2.964 2
1 200 . 1 1 A 22 22 ILE CA C 49 60.230 59.571 0.659 2
1 201 . 1 1 A 22 22 ILE CB C 49 40.280 40.239 0.041 2
1 205 . 1 1 A 22 22 ILE N N 49 119.550 119.852 -0.302 2
1 206 . 1 1 A 23 23 ASN H H 50 9.280 9.093 0.187 2
1 207 . 1 1 A 23 23 ASN HA H 50 4.290 4.451 -0.161 2
1 212 . 1 1 A 23 23 ASN CA C 50 54.660 53.870 0.790 2
1 213 . 1 1 A 23 23 ASN CB C 50 37.620 36.170 1.450 2
1 214 . 1 1 A 23 23 ASN N N 50 125.470 125.213 0.257 2
1 216 . 1 1 A 24 24 ASN H H 51 8.850 8.484 0.366 2
1 217 . 1 1 A 24 24 ASN HA H 51 4.070 4.096 -0.026 2
1 222 . 1 1 A 24 24 ASN C C 51 170.660 173.699 -3.039 2
1 223 . 1 1 A 24 24 ASN CA C 51 56.080 54.295 1.785 2
1 224 . 1 1 A 24 24 ASN CB C 51 37.430 36.867 0.563 2
1 226 . 1 1 A 25 25 THR H H 52 7.190 7.452 -0.262 2
1 227 . 1 1 A 25 25 THR HA H 52 5.370 5.083 0.287 2
1 232 . 1 1 A 25 25 THR C C 52 169.910 172.426 -2.516 2
1 233 . 1 1 A 25 25 THR CA C 52 59.890 59.564 0.326 2
1 234 . 1 1 A 25 25 THR CB C 52 73.940 72.427 1.513 2
1 236 . 1 1 A 25 25 THR N N 52 105.820 106.273 -0.453 2
1 237 . 1 1 A 26 26 CYS H H 53 8.960 8.950 0.010 2
1 238 . 1 1 A 26 26 CYS HA H 53 5.000 5.406 -0.406 2
1 241 . 1 1 A 26 26 CYS C C 53 168.780 171.574 -2.794 2
1 242 . 1 1 A 26 26 CYS CA C 53 52.560 53.642 -1.082 2
1 243 . 1 1 A 26 26 CYS CB C 53 48.650 46.414 2.236 2
1 244 . 1 1 A 26 26 CYS N N 53 116.070 119.204 -3.134 2
1 245 . 1 1 A 27 27 ILE H H 54 8.530 8.498 0.032 2
1 246 . 1 1 A 27 27 ILE HA H 54 5.210 4.981 0.229 2
1 256 . 1 1 A 27 27 ILE C C 54 173.400 174.680 -1.280 2
1 257 . 1 1 A 27 27 ILE CA C 54 59.200 60.268 -1.068 2
1 258 . 1 1 A 27 27 ILE CB C 54 40.220 40.113 0.107 2
1 262 . 1 1 A 27 27 ILE N N 54 120.170 121.164 -0.994 2
1 263 . 1 1 A 28 28 THR H H 55 9.200 8.786 0.414 2
1 264 . 1 1 A 28 28 THR HA H 55 4.800 5.205 -0.405 2
1 269 . 1 1 A 28 28 THR C C 55 168.370 172.588 -4.218 2
1 270 . 1 1 A 28 28 THR CA C 55 60.060 59.675 0.385 2
1 271 . 1 1 A 28 28 THR CB C 55 70.490 71.295 -0.805 2
1 273 . 1 1 A 28 28 THR N N 55 120.750 120.445 0.305 2
1 274 . 1 1 A 29 29 ASN H H 56 8.000 8.460 -0.460 2
1 275 . 1 1 A 29 29 ASN HA H 56 4.920 4.893 0.027 2
1 280 . 1 1 A 29 29 ASN C C 56 172.880 175.452 -2.572 2
1 281 . 1 1 A 29 29 ASN CA C 56 52.620 51.523 1.097 2
1 282 . 1 1 A 29 29 ASN CB C 56 38.920 38.133 0.787 2
1 283 . 1 1 A 29 29 ASN N N 56 120.880 123.497 -2.617 2
1 285 . 1 1 A 30 30 GLY H H 57 8.510 7.658 0.852 2
1 286 . 1 1 A 30 30 GLY HA2 H 57 4.140 3.949 0.191 2
1 287 . 1 1 A 30 30 GLY HA3 H 57 3.960 4.030 -0.070 2
1 288 . 1 1 A 30 30 GLY C C 57 169.020 172.926 -3.906 2
1 289 . 1 1 A 30 30 GLY CA C 57 45.800 45.230 0.570 2
1 290 . 1 1 A 30 30 GLY N N 57 111.380 109.439 1.941 2
1 291 . 1 1 A 31 31 HIS H H 58 8.560 7.705 0.855 2
1 292 . 1 1 A 31 31 HIS HA H 58 4.710 5.297 -0.587 2
1 295 . 1 1 A 31 31 HIS C C 58 171.200 173.951 -2.751 2
1 296 . 1 1 A 31 31 HIS CA C 58 56.140 54.637 1.503 2
1 297 . 1 1 A 31 31 HIS CB C 58 34.650 34.001 0.649 2
1 298 . 1 1 A 31 31 HIS N N 58 120.870 115.895 4.975 2
1 299 . 1 1 A 32 32 CYS H H 59 8.710 8.482 0.228 2
1 300 . 1 1 A 32 32 CYS HA H 59 5.700 5.256 0.444 2
1 303 . 1 1 A 32 32 CYS C C 59 173.470 173.480 -0.010 2
1 304 . 1 1 A 32 32 CYS CA C 59 52.340 55.131 -2.791 2
1 305 . 1 1 A 32 32 CYS CB C 59 36.950 44.242 -7.292 2
1 306 . 1 1 A 32 32 CYS N N 59 117.290 119.588 -2.298 2
1 307 . 1 1 A 33 33 PHE H H 60 8.700 8.460 0.240 2
1 308 . 1 1 A 33 33 PHE HA H 60 6.110 5.755 0.355 2
1 316 . 1 1 A 33 33 PHE C C 60 172.200 172.899 -0.699 2
1 317 . 1 1 A 33 33 PHE CA C 60 56.630 55.404 1.226 2
1 318 . 1 1 A 33 33 PHE CB C 60 44.830 42.381 2.449 2
1 319 . 1 1 A 33 33 PHE N N 60 116.070 120.082 -4.012 2
1 320 . 1 1 A 34 34 ALA H H 61 9.200 8.465 0.735 2
1 321 . 1 1 A 34 34 ALA HA H 61 5.000 4.939 0.061 2
1 325 . 1 1 A 34 34 ALA C C 61 171.610 175.682 -4.072 2
1 326 . 1 1 A 34 34 ALA CA C 61 52.320 51.483 0.837 2
1 327 . 1 1 A 34 34 ALA CB C 61 23.950 23.241 0.709 2
1 328 . 1 1 A 34 34 ALA N N 61 125.170 121.061 4.109 2
1 329 . 1 1 A 35 35 ILE H H 62 9.470 8.641 0.829 2
1 330 . 1 1 A 35 35 ILE HA H 62 5.350 4.922 0.428 2
1 340 . 1 1 A 35 35 ILE C C 62 170.850 173.266 -2.416 2
1 341 . 1 1 A 35 35 ILE CA C 62 59.260 59.531 -0.271 2
1 342 . 1 1 A 35 35 ILE CB C 62 43.660 42.366 1.294 2
1 346 . 1 1 A 35 35 ILE N N 62 120.630 119.424 1.206 2
1 347 . 1 1 A 36 36 ILE H H 63 8.500 8.852 -0.352 2
1 348 . 1 1 A 36 36 ILE HA H 63 5.240 5.236 0.004 2
1 358 . 1 1 A 36 36 ILE C C 63 170.510 173.106 -2.596 2
1 359 . 1 1 A 36 36 ILE CA C 63 59.130 59.232 -0.102 2
1 360 . 1 1 A 36 36 ILE CB C 63 41.670 42.395 -0.725 2
1 364 . 1 1 A 36 36 ILE N N 63 125.830 126.188 -0.358 2
1 365 . 1 1 A 37 37 GLU H H 64 8.450 8.746 -0.296 2
1 366 . 1 1 A 37 37 GLU HA H 64 5.010 4.913 0.097 2
1 371 . 1 1 A 37 37 GLU C C 64 171.410 174.436 -3.026 2
1 372 . 1 1 A 37 37 GLU CA C 64 54.830 55.031 -0.201 2
1 373 . 1 1 A 37 37 GLU CB C 64 34.320 34.093 0.227 2
1 375 . 1 1 A 37 37 GLU N N 64 124.570 127.076 -2.506 2
1 376 . 1 1 A 38 38 GLU H H 65 8.300 8.534 -0.234 2
1 377 . 1 1 A 38 38 GLU HA H 65 5.040 4.964 0.076 2
1 382 . 1 1 A 38 38 GLU C C 65 172.920 175.930 -3.010 2
1 383 . 1 1 A 38 38 GLU CA C 65 54.760 55.086 -0.326 2
1 384 . 1 1 A 38 38 GLU CB C 65 33.470 31.580 1.890 2
1 386 . 1 1 A 38 38 GLU N N 65 123.960 123.813 0.147 2
1 387 . 1 1 A 39 39 ASP H H 66 8.470 8.298 0.172 2
1 388 . 1 1 A 39 39 ASP HA H 66 4.750 4.893 -0.143 2
1 391 . 1 1 A 39 39 ASP C C 66 174.940 177.321 -2.381 2
1 392 . 1 1 A 39 39 ASP CA C 66 52.890 52.520 0.370 2
1 393 . 1 1 A 39 39 ASP CB C 66 41.990 41.414 0.576 2
1 394 . 1 1 A 39 39 ASP N N 66 124.870 126.878 -2.008 2
1 395 . 1 1 A 40 40 ASP H H 67 8.380 8.834 -0.454 2
1 396 . 1 1 A 40 40 ASP HA H 67 4.310 4.352 -0.042 2
1 399 . 1 1 A 40 40 ASP C C 67 174.210 177.165 -2.955 2
1 400 . 1 1 A 40 40 ASP CA C 67 56.350 56.387 -0.037 2
1 401 . 1 1 A 40 40 ASP CB C 67 40.510 40.286 0.224 2
1 402 . 1 1 A 40 40 ASP N N 67 116.220 118.719 -2.499 2
1 403 . 1 1 A 41 41 GLN H H 68 8.200 7.767 0.433 2
1 404 . 1 1 A 41 41 GLN HA H 68 4.380 4.370 0.010 2
1 411 . 1 1 A 41 41 GLN C C 68 173.740 176.422 -2.682 2
1 412 . 1 1 A 41 41 GLN CA C 68 55.590 55.614 -0.024 2
1 413 . 1 1 A 41 41 GLN CB C 68 29.780 29.469 0.311 2
1 415 . 1 1 A 41 41 GLN N N 68 117.190 116.959 0.231 2
1 417 . 1 1 A 42 42 GLY H H 69 8.000 8.200 -0.200 2
1 418 . 1 1 A 42 42 GLY HA2 H 69 3.630 3.908 -0.278 2
1 419 . 1 1 A 42 42 GLY HA3 H 69 4.140 3.909 0.231 2
1 420 . 1 1 A 42 42 GLY C C 69 171.650 174.282 -2.632 2
1 421 . 1 1 A 42 42 GLY CA C 69 45.730 45.681 0.049 2
1 422 . 1 1 A 42 42 GLY N N 69 108.130 108.587 -0.457 2
1 423 . 1 1 A 43 43 GLU H H 70 8.410 7.868 0.542 2
1 424 . 1 1 A 43 43 GLU HA H 70 4.450 4.581 -0.131 2
1 429 . 1 1 A 43 43 GLU C C 70 173.970 176.399 -2.429 2
1 430 . 1 1 A 43 43 GLU CA C 70 56.020 55.343 0.677 2
1 431 . 1 1 A 43 43 GLU CB C 70 30.300 31.075 -0.775 2
1 433 . 1 1 A 43 43 GLU N N 70 122.300 119.776 2.524 2
1 434 . 1 1 A 44 44 THR H H 71 8.620 8.490 0.130 2
1 435 . 1 1 A 44 44 THR HA H 71 5.210 5.190 0.020 2
1 440 . 1 1 A 44 44 THR C C 71 172.160 174.022 -1.862 2
1 441 . 1 1 A 44 44 THR CA C 71 61.600 60.801 0.799 2
1 442 . 1 1 A 44 44 THR CB C 71 71.000 70.106 0.894 2
1 444 . 1 1 A 44 44 THR N N 71 117.330 113.997 3.333 2
1 445 . 1 1 A 45 45 THR H H 72 8.760 8.657 0.103 2
1 446 . 1 1 A 45 45 THR HA H 72 4.500 5.070 -0.570 2
1 451 . 1 1 A 45 45 THR C C 72 169.600 173.667 -4.067 2
1 452 . 1 1 A 45 45 THR CA C 72 61.270 60.565 0.705 2
1 453 . 1 1 A 45 45 THR CB C 72 72.320 70.043 2.277 2
1 455 . 1 1 A 45 45 THR N N 72 117.840 117.717 0.123 2
1 456 . 1 1 A 46 46 LEU H H 73 8.400 9.174 -0.774 2
1 457 . 1 1 A 46 46 LEU HA H 73 5.250 5.083 0.167 2
1 464 . 1 1 A 46 46 LEU C C 73 173.150 175.570 -2.420 2
1 465 . 1 1 A 46 46 LEU CA C 73 54.300 53.831 0.469 2
1 466 . 1 1 A 46 46 LEU CB C 73 44.860 43.445 1.415 2
1 470 . 1 1 A 46 46 LEU N N 73 126.020 127.611 -1.591 2
1 471 . 1 1 A 47 47 ALA HA H 74 4.760 5.414 -0.654 2
1 475 . 1 1 A 47 47 ALA C C 74 172.740 175.440 -2.700 2
1 476 . 1 1 A 47 47 ALA CA C 74 51.440 50.887 0.553 2
1 477 . 1 1 A 47 47 ALA CB C 74 23.350 23.610 -0.260 2
1 478 . 1 1 A 48 48 SER H H 75 8.700 8.329 0.371 2
1 479 . 1 1 A 48 48 SER HA H 75 4.500 4.654 -0.154 2
1 482 . 1 1 A 48 48 SER C C 75 171.590 172.995 -1.405 2
1 483 . 1 1 A 48 48 SER CA C 75 57.740 56.395 1.345 2
1 484 . 1 1 A 48 48 SER CB C 75 65.700 66.036 -0.336 2
1 485 . 1 1 A 48 48 SER N N 75 111.400 113.977 -2.577 2
1 486 . 1 1 A 49 49 GLY H H 76 6.440 7.241 -0.801 2
1 487 . 1 1 A 49 49 GLY HA2 H 76 3.850 3.877 -0.027 2
1 488 . 1 1 A 49 49 GLY HA3 H 76 3.730 3.901 -0.171 2
1 489 . 1 1 A 49 49 GLY C C 76 167.890 171.257 -3.367 2
1 490 . 1 1 A 49 49 GLY CA C 76 47.420 45.818 1.602 2
1 491 . 1 1 A 49 49 GLY N N 76 105.480 105.636 -0.156 2
1 492 . 1 1 A 50 50 CYS H H 77 8.740 8.345 0.395 2
1 493 . 1 1 A 50 50 CYS HA H 77 4.950 5.355 -0.405 2
1 496 . 1 1 A 50 50 CYS C C 77 170.670 172.709 -2.039 2
1 497 . 1 1 A 50 50 CYS CA C 77 60.030 55.212 4.818 2
1 498 . 1 1 A 50 50 CYS CB C 77 46.100 43.450 2.650 2
1 499 . 1 1 A 50 50 CYS N N 77 118.960 119.776 -0.816 2
1 500 . 1 1 A 51 51 MET H H 78 9.240 9.073 0.167 2
1 501 . 1 1 A 51 51 MET HA H 78 4.760 5.013 -0.253 2
1 509 . 1 1 A 51 51 MET C C 78 171.990 175.967 -3.977 2
1 510 . 1 1 A 51 51 MET CA C 78 54.630 54.171 0.459 2
1 511 . 1 1 A 51 51 MET CB C 78 35.810 35.062 0.748 2
1 514 . 1 1 A 51 51 MET N N 78 122.340 125.961 -3.621 2
1 515 . 1 1 A 52 52 LYS H H 79 8.430 8.392 0.038 2
1 516 . 1 1 A 52 52 LYS HA H 79 4.160 4.262 -0.102 2
1 525 . 1 1 A 52 52 LYS C C 79 173.040 175.824 -2.784 2
1 526 . 1 1 A 52 52 LYS CA C 79 57.120 56.078 1.042 2
1 527 . 1 1 A 52 52 LYS CB C 79 33.720 32.710 1.010 2
1 531 . 1 1 A 52 52 LYS N N 79 125.030 123.812 1.218 2
1 532 . 1 1 A 53 53 TYR H H 80 8.400 8.675 -0.275 2
1 533 . 1 1 A 53 53 TYR HA H 80 4.200 4.547 -0.347 2
1 536 . 1 1 A 53 53 TYR C C 80 173.370 175.365 -1.995 2
1 537 . 1 1 A 53 53 TYR CA C 80 59.910 58.894 1.016 2
1 538 . 1 1 A 53 53 TYR CB C 80 39.000 39.202 -0.202 2
1 539 . 1 1 A 53 53 TYR N N 80 121.420 121.037 0.383 2
1 540 . 1 1 A 54 54 GLU H H 81 8.490 8.702 -0.212 2
1 541 . 1 1 A 54 54 GLU HA H 81 4.170 4.590 -0.420 2
1 545 . 1 1 A 54 54 GLU C C 81 173.240 176.714 -3.474 2
1 546 . 1 1 A 54 54 GLU CA C 81 56.440 56.510 -0.070 2
1 547 . 1 1 A 54 54 GLU CB C 81 30.860 32.121 -1.261 2
1 549 . 1 1 A 54 54 GLU N N 81 123.790 123.507 0.283 2
1 550 . 1 1 A 55 55 GLY H H 82 7.200 7.644 -0.444 2
1 551 . 1 1 A 55 55 GLY HA2 H 82 4.050 3.878 0.172 2
1 552 . 1 1 A 55 55 GLY HA3 H 82 3.690 3.958 -0.268 2
1 553 . 1 1 A 55 55 GLY C C 82 171.520 174.406 -2.886 2
1 554 . 1 1 A 55 55 GLY CA C 82 45.680 45.273 0.407 2
1 555 . 1 1 A 55 55 GLY N N 82 108.400 107.312 1.088 2
1 556 . 1 1 A 56 56 SER H H 83 8.140 7.959 0.181 2
1 557 . 1 1 A 56 56 SER HA H 83 4.280 4.475 -0.195 2
1 560 . 1 1 A 56 56 SER C C 83 171.900 174.297 -2.397 2
1 561 . 1 1 A 56 56 SER CA C 83 59.270 58.884 0.386 2
1 562 . 1 1 A 56 56 SER CB C 83 63.960 63.718 0.242 2
1 563 . 1 1 A 56 56 SER N N 83 114.650 116.041 -1.391 2
1 564 . 1 1 A 57 57 ASP H H 84 8.340 8.792 -0.452 2
1 565 . 1 1 A 57 57 ASP HA H 84 4.430 4.629 -0.199 2
1 568 . 1 1 A 57 57 ASP C C 84 173.100 176.966 -3.866 2
1 569 . 1 1 A 57 57 ASP CA C 84 54.950 56.539 -1.589 2
1 570 . 1 1 A 57 57 ASP CB C 84 40.840 41.698 -0.858 2
1 571 . 1 1 A 57 57 ASP N N 84 121.230 124.996 -3.766 2
1 572 . 1 1 A 58 58 PHE H H 85 7.730 7.721 0.009 2
1 573 . 1 1 A 58 58 PHE HA H 85 4.260 4.655 -0.395 2
1 581 . 1 1 A 58 58 PHE C C 85 172.590 174.713 -2.123 2
1 582 . 1 1 A 58 58 PHE CA C 85 58.520 56.986 1.534 2
1 583 . 1 1 A 58 58 PHE CB C 85 39.840 39.477 0.363 2
1 584 . 1 1 A 58 58 PHE N N 85 118.920 116.526 2.394 2
1 585 . 1 1 A 59 59 GLN H H 86 7.790 7.826 -0.036 2
1 586 . 1 1 A 59 59 GLN HA H 86 4.070 4.453 -0.383 2
1 593 . 1 1 A 59 59 GLN C C 86 172.550 175.031 -2.481 2
1 594 . 1 1 A 59 59 GLN CA C 86 56.000 54.949 1.051 2
1 595 . 1 1 A 59 59 GLN CB C 86 30.600 27.700 2.900 2
1 597 . 1 1 A 59 59 GLN N N 86 120.280 120.345 -0.065 2
1 599 . 1 1 A 60 60 CYS H H 87 8.100 8.394 -0.294 2
1 600 . 1 1 A 60 60 CYS HA H 87 4.140 4.850 -0.710 2
1 603 . 1 1 A 60 60 CYS C C 87 170.910 173.026 -2.116 2
1 604 . 1 1 A 60 60 CYS CA C 87 56.810 55.268 1.542 2
1 605 . 1 1 A 60 60 CYS CB C 87 40.780 43.202 -2.422 2
1 606 . 1 1 A 60 60 CYS N N 87 118.790 123.086 -4.296 2
1 607 . 1 1 A 61 61 LYS H H 88 7.610 7.766 -0.156 2
1 608 . 1 1 A 61 61 LYS HA H 88 4.280 4.519 -0.239 2
1 617 . 1 1 A 61 61 LYS C C 88 172.330 175.311 -2.981 2
1 618 . 1 1 A 61 61 LYS CA C 88 56.210 55.505 0.705 2
1 619 . 1 1 A 61 61 LYS CB C 88 34.210 34.103 0.107 2
1 623 . 1 1 A 61 61 LYS N N 88 120.330 121.432 -1.102 2
1 624 . 1 1 A 62 62 ASP H H 89 8.180 8.762 -0.582 2
1 625 . 1 1 A 62 62 ASP HA H 89 4.500 5.251 -0.751 2
1 628 . 1 1 A 62 62 ASP C C 89 172.970 175.076 -2.106 2
1 629 . 1 1 A 62 62 ASP CA C 89 54.200 52.722 1.478 2
1 630 . 1 1 A 62 62 ASP CB C 89 42.090 43.653 -1.563 2
1 631 . 1 1 A 62 62 ASP N N 89 121.190 120.312 0.878 2
1 632 . 1 1 A 63 63 SER H H 90 8.190 8.793 -0.603 2
1 633 . 1 1 A 63 63 SER HA H 90 4.640 4.736 -0.096 2
1 636 . 1 1 A 63 63 SER C C 90 170.240 174.088 -3.848 2
1 637 . 1 1 A 63 63 SER CA C 90 56.600 57.038 -0.438 2
1 638 . 1 1 A 63 63 SER CB C 90 63.770 63.123 0.647 2
1 639 . 1 1 A 63 63 SER N N 90 116.710 119.461 -2.751 2
1 640 . 1 1 A 64 64 PRO HA H 91 4.350 4.615 -0.265 2
1 647 . 1 1 A 64 64 PRO CA C 91 63.800 62.664 1.136 2
1 648 . 1 1 A 64 64 PRO CB C 91 32.410 29.436 2.974 2
1 651 . 1 1 A 65 65 LYS H H 92 8.240 7.926 0.314 2
1 652 . 1 1 A 65 65 LYS HA H 92 4.210 4.582 -0.372 2
1 661 . 1 1 A 65 65 LYS C C 92 173.330 175.106 -1.776 2
1 662 . 1 1 A 65 65 LYS CA C 92 56.410 55.410 1.000 2
1 663 . 1 1 A 65 65 LYS CB C 92 33.230 33.041 0.189 2
1 667 . 1 1 A 65 65 LYS N N 92 120.180 120.753 -0.573 2
1 668 . 1 1 A 66 66 ALA H H 93 8.040 7.544 0.496 2
1 669 . 1 1 A 66 66 ALA HA H 93 4.210 4.546 -0.336 2
1 673 . 1 1 A 66 66 ALA C C 93 174.580 176.355 -1.775 2
1 674 . 1 1 A 66 66 ALA CA C 93 53.020 51.563 1.457 2
1 675 . 1 1 A 66 66 ALA CB C 93 19.760 21.142 -1.382 2
1 676 . 1 1 A 66 66 ALA N N 93 124.050 122.724 1.326 2
1 677 . 1 1 A 67 67 GLN H H 94 8.320 8.611 -0.291 2
1 678 . 1 1 A 67 67 GLN HA H 94 4.190 4.535 -0.345 2
1 685 . 1 1 A 67 67 GLN C C 94 172.780 174.682 -1.902 2
1 686 . 1 1 A 67 67 GLN CA C 94 56.750 54.693 2.057 2
1 687 . 1 1 A 67 67 GLN CB C 94 29.100 29.895 -0.795 2
1 689 . 1 1 A 67 67 GLN N N 94 117.930 120.055 -2.125 2
1 691 . 1 1 A 68 68 LEU H H 95 7.730 8.045 -0.315 2
1 692 . 1 1 A 68 68 LEU HA H 95 4.360 4.598 -0.238 2
1 702 . 1 1 A 68 68 LEU C C 95 174.270 176.042 -1.772 2
1 703 . 1 1 A 68 68 LEU CA C 95 54.970 54.675 0.295 2
1 704 . 1 1 A 68 68 LEU CB C 95 43.120 44.274 -1.154 2
1 708 . 1 1 A 68 68 LEU N N 95 120.470 123.923 -3.453 2
1 709 . 1 1 A 69 69 ARG H H 96 8.600 8.541 0.059 2
1 710 . 1 1 A 69 69 ARG HA H 96 4.230 4.602 -0.372 2
1 718 . 1 1 A 69 69 ARG C C 96 171.700 175.954 -4.254 2
1 719 . 1 1 A 69 69 ARG CA C 96 56.570 56.222 0.348 2
1 720 . 1 1 A 69 69 ARG CB C 96 30.660 30.937 -0.277 2
1 723 . 1 1 A 69 69 ARG N N 96 121.670 124.164 -2.494 2
1 725 . 1 1 A 70 70 ARG H H 97 7.800 8.689 -0.889 2
1 726 . 1 1 A 70 70 ARG HA H 97 5.170 5.143 0.027 2
1 734 . 1 1 A 70 70 ARG C C 97 172.120 173.428 -1.308 2
1 735 . 1 1 A 70 70 ARG CA C 97 55.260 54.784 0.476 2
1 736 . 1 1 A 70 70 ARG CB C 97 34.040 34.146 -0.106 2
1 739 . 1 1 A 70 70 ARG N N 97 120.130 121.491 -1.361 2
1 741 . 1 1 A 71 71 THR H H 98 8.610 8.196 0.414 2
1 742 . 1 1 A 71 71 THR HA H 98 4.600 5.208 -0.608 2
1 747 . 1 1 A 71 71 THR C C 98 169.250 173.516 -4.266 2
1 748 . 1 1 A 71 71 THR CA C 98 62.030 61.467 0.563 2
1 749 . 1 1 A 71 71 THR CB C 98 71.970 72.038 -0.068 2
1 751 . 1 1 A 71 71 THR N N 98 118.550 114.536 4.014 2
1 752 . 1 1 A 72 72 ILE H H 99 8.520 8.675 -0.155 2
1 753 . 1 1 A 72 72 ILE HA H 99 5.080 5.047 0.033 2
1 763 . 1 1 A 72 72 ILE C C 99 170.930 173.043 -2.113 2
1 764 . 1 1 A 72 72 ILE CA C 99 59.370 59.420 -0.050 2
1 765 . 1 1 A 72 72 ILE CB C 99 42.140 42.307 -0.167 2
1 769 . 1 1 A 72 72 ILE N N 99 125.230 122.957 2.273 2
1 770 . 1 1 A 73 73 GLU H H 100 8.860 8.664 0.196 2
1 771 . 1 1 A 73 73 GLU HA H 100 4.670 5.066 -0.396 2
1 776 . 1 1 A 73 73 GLU C C 100 172.200 174.994 -2.794 2
1 777 . 1 1 A 73 73 GLU CA C 100 55.840 54.994 0.846 2
1 778 . 1 1 A 73 73 GLU CB C 100 34.410 33.976 0.434 2
1 780 . 1 1 A 73 73 GLU N N 100 125.680 125.897 -0.217 2
1 781 . 1 1 A 74 74 CYS H H 101 8.830 8.946 -0.116 2
1 782 . 1 1 A 74 74 CYS HA H 101 5.790 5.541 0.249 2
1 785 . 1 1 A 74 74 CYS C C 101 170.360 172.346 -1.986 2
1 786 . 1 1 A 74 74 CYS CA C 101 55.010 54.449 0.561 2
1 787 . 1 1 A 74 74 CYS CB C 101 45.320 46.239 -0.919 2
1 788 . 1 1 A 74 74 CYS N N 101 119.260 117.712 1.548 2
1 789 . 1 1 A 75 75 CYS H H 102 9.130 8.595 0.535 2
1 790 . 1 1 A 75 75 CYS HA H 102 5.000 5.268 -0.268 2
1 793 . 1 1 A 75 75 CYS C C 102 170.670 171.954 -1.284 2
1 794 . 1 1 A 75 75 CYS CA C 102 56.180 55.310 0.870 2
1 795 . 1 1 A 75 75 CYS CB C 102 46.090 46.278 -0.188 2
1 796 . 1 1 A 75 75 CYS N N 102 116.460 118.470 -2.010 2
1 797 . 1 1 A 76 76 ARG H H 103 9.240 9.043 0.197 2
1 798 . 1 1 A 76 76 ARG HA H 103 4.800 4.640 0.160 2
1 806 . 1 1 A 76 76 ARG C C 103 172.120 174.730 -2.610 2
1 807 . 1 1 A 76 76 ARG CA C 103 56.230 55.160 1.070 2
1 808 . 1 1 A 76 76 ARG CB C 103 32.610 29.830 2.780 2
1 811 . 1 1 A 76 76 ARG N N 103 122.520 124.884 -2.364 2
1 813 . 1 1 A 77 77 THR H H 104 7.440 7.741 -0.301 2
1 814 . 1 1 A 77 77 THR HA H 104 4.600 5.153 -0.553 2
1 819 . 1 1 A 77 77 THR C C 104 171.890 173.494 -1.604 2
1 820 . 1 1 A 77 77 THR CA C 104 61.270 59.587 1.683 2
1 821 . 1 1 A 77 77 THR CB C 104 72.490 72.070 0.420 2
1 823 . 1 1 A 77 77 THR N N 104 109.730 111.980 -2.250 2
1 824 . 1 1 A 78 78 ASN H H 105 8.590 8.695 -0.105 2
1 825 . 1 1 A 78 78 ASN HA H 105 4.790 4.665 0.125 2
1 830 . 1 1 A 78 78 ASN C C 105 174.150 175.283 -1.133 2
1 831 . 1 1 A 78 78 ASN CA C 105 55.870 54.045 1.825 2
1 832 . 1 1 A 78 78 ASN CB C 105 39.260 38.278 0.982 2
1 833 . 1 1 A 78 78 ASN N N 105 119.360 119.636 -0.276 2
1 835 . 1 1 A 79 79 LEU H H 106 9.980 8.786 1.194 2
1 836 . 1 1 A 79 79 LEU HA H 106 3.680 3.926 -0.246 2
1 846 . 1 1 A 79 79 LEU C C 106 175.050 177.516 -2.466 2
1 847 . 1 1 A 79 79 LEU CA C 106 56.790 56.079 0.711 2
1 848 . 1 1 A 79 79 LEU CB C 106 38.920 39.346 -0.426 2
1 852 . 1 1 A 79 79 LEU N N 106 118.230 117.702 0.528 2
1 853 . 1 1 A 80 80 CYS H H 107 8.250 7.996 0.254 2
1 854 . 1 1 A 80 80 CYS HA H 107 4.320 4.402 -0.082 2
1 857 . 1 1 A 80 80 CYS C C 107 172.470 175.439 -2.969 2
1 858 . 1 1 A 80 80 CYS CA C 107 58.370 58.778 -0.408 2
1 859 . 1 1 A 80 80 CYS CB C 107 46.090 42.125 3.965 2
1 860 . 1 1 A 80 80 CYS N N 107 115.460 116.397 -0.937 2
1 861 . 1 1 A 81 81 ASN H H 108 8.590 7.943 0.647 2
1 862 . 1 1 A 81 81 ASN HA H 108 4.430 4.619 -0.189 2
1 867 . 1 1 A 81 81 ASN C C 108 172.210 177.604 -5.394 2
1 868 . 1 1 A 81 81 ASN CA C 108 53.320 55.161 -1.841 2
1 869 . 1 1 A 81 81 ASN CB C 108 37.290 38.436 -1.146 2
1 870 . 1 1 A 81 81 ASN N N 108 118.040 119.876 -1.836 2
1 872 . 1 1 A 82 82 GLN H H 109 7.490 7.970 -0.480 2
1 873 . 1 1 A 82 82 GLN HA H 109 3.380 3.611 -0.231 2
1 880 . 1 1 A 82 82 GLN C C 109 172.300 176.867 -4.567 2
1 881 . 1 1 A 82 82 GLN CA C 109 58.940 58.240 0.700 2
1 882 . 1 1 A 82 82 GLN CB C 109 28.770 27.771 0.999 2
1 884 . 1 1 A 82 82 GLN N N 109 121.350 120.110 1.240 2
1 886 . 1 1 A 83 83 TYR H H 110 7.830 7.631 0.199 2
1 887 . 1 1 A 83 83 TYR HA H 110 4.590 4.666 -0.076 2
1 892 . 1 1 A 83 83 TYR CA C 110 56.490 57.346 -0.856 2
1 893 . 1 1 A 83 83 TYR CB C 110 38.400 38.095 0.305 2
1 894 . 1 1 A 83 83 TYR N N 110 114.600 116.504 -1.904 2
1 895 . 1 1 A 84 84 LEU H H 111 6.610 7.311 -0.701 2
1 896 . 1 1 A 84 84 LEU HA H 111 4.170 4.980 -0.810 2
1 905 . 1 1 A 84 84 LEU C C 111 172.880 174.719 -1.839 2
1 906 . 1 1 A 84 84 LEU CA C 111 55.250 53.586 1.664 2
1 907 . 1 1 A 84 84 LEU CB C 111 43.400 44.860 -1.460 2
1 911 . 1 1 A 84 84 LEU N N 111 120.140 121.980 -1.840 2
1 912 . 1 1 A 85 85 GLN H H 112 8.780 8.946 -0.166 2
1 913 . 1 1 A 85 85 GLN HA H 112 4.570 4.851 -0.281 2
1 920 . 1 1 A 85 85 GLN C C 112 169.480 174.416 -4.936 2
1 921 . 1 1 A 85 85 GLN CA C 112 53.110 52.714 0.396 2
1 922 . 1 1 A 85 85 GLN CB C 112 30.000 30.269 -0.269 2
1 924 . 1 1 A 85 85 GLN N N 112 122.790 127.704 -4.914 2
1 926 . 1 1 A 86 86 PRO HA H 113 4.400 4.916 -0.516 2
1 931 . 1 1 A 86 86 PRO CA C 113 63.040 62.643 0.397 2
1 932 . 1 1 A 86 86 PRO CB C 113 32.400 32.332 0.068 2
1 935 . 1 1 A 87 87 THR H H 114 8.180 8.541 -0.361 2
1 936 . 1 1 A 87 87 THR HA H 114 4.400 5.013 -0.613 2
1 941 . 1 1 A 87 87 THR C C 114 172.180 173.322 -1.142 2
1 942 . 1 1 A 87 87 THR CA C 114 60.960 59.775 1.185 2
1 943 . 1 1 A 87 87 THR CB C 114 71.290 71.986 -0.696 2
1 945 . 1 1 A 87 87 THR N N 114 111.930 112.604 -0.674 2
1 946 . 1 1 A 88 88 LEU H H 115 8.580 8.633 -0.053 2
1 947 . 1 1 A 88 88 LEU HA H 115 4.300 4.844 -0.544 2
1 956 . 1 1 A 88 88 LEU C C 115 171.740 174.756 -3.016 2
1 957 . 1 1 A 88 88 LEU CA C 115 53.230 53.603 -0.373 2
1 958 . 1 1 A 88 88 LEU CB C 115 41.900 41.221 0.679 2
1 962 . 1 1 A 88 88 LEU N N 115 125.290 124.816 0.474 2
1 963 . 1 1 A 89 89 PRO HA H 116 4.630 4.659 -0.029 2
1 970 . 1 1 A 89 89 PRO CA C 116 61.580 61.523 0.057 2
1 971 . 1 1 A 89 89 PRO CB C 116 30.980 31.560 -0.580 2
1 974 . 1 1 A 90 90 PRO HA H 117 4.350 4.562 -0.212 2
1 977 . 1 1 A 90 90 PRO CA C 117 63.010 62.676 0.334 2
1 978 . 1 1 A 90 90 PRO CB C 117 32.300 32.241 0.059 2
1 981 . 1 1 A 91 91 VAL H H 118 8.190 8.462 -0.272 2
1 982 . 1 1 A 91 91 VAL HA H 118 3.900 4.416 -0.516 2
1 990 . 1 1 A 91 91 VAL C C 118 173.270 175.425 -2.155 2
1 991 . 1 1 A 91 91 VAL CA C 118 62.890 62.123 0.767 2
1 992 . 1 1 A 91 91 VAL CB C 118 32.980 33.324 -0.344 2
1 994 . 1 1 A 91 91 VAL N N 118 120.460 121.784 -1.324 2
1 995 . 1 1 A 92 92 VAL H H 119 8.180 8.398 -0.218 2
1 996 . 1 1 A 92 92 VAL HA H 119 4.040 4.495 -0.455 2
1 1004 . 1 1 A 92 92 VAL C C 119 172.960 174.977 -2.017 2
1 1005 . 1 1 A 92 92 VAL CA C 119 62.250 61.453 0.797 2
1 1006 . 1 1 A 92 92 VAL CB C 119 33.280 33.482 -0.202 2
1 1008 . 1 1 A 92 92 VAL N N 119 125.030 122.875 2.155 2
1 1009 . 1 1 A 93 93 ILE H H 120 8.220 8.646 -0.426 2
1 1010 . 1 1 A 93 93 ILE HA H 120 4.110 4.503 -0.393 2
1 1015 . 1 1 A 93 93 ILE C C 120 173.440 175.682 -2.242 2
1 1016 . 1 1 A 93 93 ILE CA C 120 61.050 60.214 0.836 2
1 1017 . 1 1 A 93 93 ILE CB C 120 39.030 39.205 -0.175 2
1 1021 . 1 1 A 93 93 ILE N N 120 125.690 126.483 -0.793 2
1 1022 . 1 1 A 94 94 GLY H H 121 8.190 8.537 -0.347 2
1 1023 . 1 1 A 94 94 GLY HA2 H 121 4.050 4.041 0.009 2
1 1024 . 1 1 A 94 94 GLY HA3 H 121 3.940 4.064 -0.124 2
1 1025 . 1 1 A 94 94 GLY C C 121 169.080 174.026 -4.946 2
1 1026 . 1 1 A 94 94 GLY CA C 121 44.850 45.594 -0.744 2
1 1027 . 1 1 A 94 94 GLY N N 121 113.150 115.033 -1.883 2
1 1028 . 1 1 A 95 95 PRO HA H 122 4.270 4.600 -0.330 2
1 1032 . 1 1 A 95 95 PRO CA C 122 63.340 62.920 0.420 2
1 1033 . 1 1 A 95 95 PRO CB C 122 32.160 32.497 -0.337 2
1 1036 . 1 1 A 96 96 PHE H H 123 8.140 8.505 -0.365 2
1 1037 . 1 1 A 96 96 PHE HA H 123 4.510 4.962 -0.452 2
1 1040 . 1 1 A 96 96 PHE C C 123 172.700 174.567 -1.867 2
1 1041 . 1 1 A 96 96 PHE CA C 123 58.040 56.750 1.290 2
1 1042 . 1 1 A 96 96 PHE CB C 123 39.710 41.040 -1.330 2
1 1043 . 1 1 A 96 96 PHE N N 123 119.410 119.896 -0.486 2
1 1044 . 1 1 A 97 97 PHE H H 124 8.000 8.749 -0.749 2
1 1045 . 1 1 A 97 97 PHE HA H 124 4.490 4.922 -0.432 2
1 1048 . 1 1 A 97 97 PHE C C 124 172.140 174.373 -2.233 2
1 1049 . 1 1 A 97 97 PHE CA C 124 58.000 57.007 0.993 2
1 1050 . 1 1 A 97 97 PHE CB C 124 40.140 40.604 -0.464 2
1 1051 . 1 1 A 97 97 PHE N N 124 122.180 120.081 2.099 2
1 1052 . 1 1 A 98 98 ASP H H 125 8.100 8.753 -0.653 2
1 1053 . 1 1 A 98 98 ASP HA H 125 4.400 4.842 -0.442 2
1 1056 . 1 1 A 98 98 ASP C C 125 173.870 176.275 -2.405 2
1 1057 . 1 1 A 98 98 ASP CA C 125 54.470 54.158 0.312 2
1 1058 . 1 1 A 98 98 ASP CB C 125 41.390 42.109 -0.719 2
1 1059 . 1 1 A 98 98 ASP N N 125 123.000 121.803 1.197 2
1 1060 . 1 1 A 99 99 GLY H H 126 8.010 8.254 -0.244 2
1 1061 . 1 1 A 99 99 GLY HA3 H 126 3.860 4.058 -0.198 2
1 1062 . 1 1 A 99 99 GLY C C 126 171.640 173.585 -1.945 2
1 1063 . 1 1 A 99 99 GLY CA C 126 45.860 45.500 0.360 2
1 1064 . 1 1 A 99 99 GLY N N 126 109.280 109.881 -0.601 2
1 1065 . 1 1 A 100 100 SER H H 127 8.110 8.065 0.045 2
1 1066 . 1 1 A 100 100 SER HA H 127 4.320 4.761 -0.441 2
1 1069 . 1 1 A 100 100 SER C C 127 171.520 173.512 -1.992 2
1 1070 . 1 1 A 100 100 SER CA C 127 59.190 57.985 1.205 2
1 1071 . 1 1 A 100 100 SER CB C 127 64.240 65.057 -0.817 2
1 1072 . 1 1 A 100 100 SER N N 127 115.760 114.755 1.005 2
1 1073 . 1 1 A 101 101 ILE H H 128 7.960 8.627 -0.667 2
1 1074 . 1 1 A 101 101 ILE HA H 128 4.110 4.486 -0.376 2
1 1084 . 1 1 A 101 101 ILE C C 128 172.590 175.273 -2.683 2
1 1085 . 1 1 A 101 101 ILE CA C 128 61.800 60.416 1.384 2
1 1086 . 1 1 A 101 101 ILE CB C 128 38.820 38.839 -0.019 2
1 1090 . 1 1 A 101 101 ILE N N 128 122.050 124.308 -2.258 2
stop_
save_